A0A5K4FC48_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 923 aa.

						>A0A5K4FC48_SCHMA|A0A5K4FC48
MTVINSLLVPMLSNNMIILRIYMHLLKLSSLSLIFILLVSFTNLSNSTHFAKSLLSKQNIISPEDHLIEIISNNSINYGCDFNQLQFCSYEHSSDWSFQLSLTEFALKMKEAAETAAKVVQNFQDKLSQNNNNNNNTNNTIKNQAKTSNQYFQFPSVIIPTTNYFPCSTTTTTTNNNNNTQYSYMKLPIHWPTYYIIHKPNAPEDVTGTSSSQSQLSSRIIKQKRSIIYHSLKQSNNTDTLKQLYTFSKLYPIACLQLKIQFLSNNNDNNRLSSQVILSLGSNKQTIRNVLTIDESFRNVYHEDYDSDDDRNENDEISSSSSLSTTSSRIDWSILRQEISDLVNNTLPYDVWINVSMPIYPTTIPTTDLNTPPPLYNQTNHYYNQYMEDNNVETSQNFHDTLIEQSDHWVAMDTTQFLSILTTNNVCIDDIILYTHQNRQLLKSKCQSKLIWISNNNKQSNHSIQILHLNTYGYPILLNRTSSTTSSSDDPLNNGDNKSILKSFHSFYSNKYSLYNHLHIIWITGSLLLAIFITFLAILFIITFSLSVMCNQRKNIHLNNLTTDNNLSSQNEKCKNNKELHNRRKLYLNHHHQHEHHNKDHCDNELLRILPEDLPNSSFLLDLHNHLSSSSSLHGLLHHHHQSDSQQCNSQQAIINKLTNQQQFLDDNSTELSLCMQDDKNELLHSIDRQNIDHSDVFATSAVQLLRNWKFYKQRSTTPSNGYYYPPPGSSFFHNNPNYSIKHNRTKQLGVKRNPSNTSMLLYMDHHPLFSKGYTTSSSNVAGGNPTTSNFNDKCQESRISSSHLKTMPEVRQSLILSVNDNNELIILPSSTTTTTTTTAMNHNEQQNGIIENNNTLGMLNSLSEEDAEATRLEMAASVGALDNQYLPNDNTLDHIDYTLSSTIPRSLIINGEQPPPSYNSSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	47.9	Very low	195 Å²	195	107.5 Å²	107.5	96%	0.961	60%	0.598	S	S	*	*				0	-48.8	0	-104.3	159.7	170	0	0	112.7	V3 I4 N5	M1-V3 PolarHBondContact O-N 3.09Å; M1-I4 PolarHBondContact O-N 3.03Å; M1-N5 PolarHBondContact O-N 3.44Å
2	T	49.5	Very low	48.2	Very low	125 Å²	125	107.3 Å²	107.3	77%	0.767	59%	0.594	S	S	*	*	H	α-helix	trans	-60.1	-40.6	177	10.2	0	0	0	0	114.1	N5 S6	T2-N5 PolarHBondContact O-N 2.98Å; T2-S6 PolarHBondContact O-N 3.41Å
3	V	50	Low	49	Very low	98 Å²	98	103.3 Å²	103.3	59%	0.594	58%	0.579	S	S	*	*	H	α-helix	trans	-68.7	-33.1	176.4	179.4	0	0	0	0	112.4	M1 S6 L7	M1-V3 PolarHBondContact O-N 3.09Å; V3-S6 PolarHBondContact O-N 2.92Å; V3-S6 PolarHBondContact O-OG 3.4Å; V3-S6 VanDerWaalsContact O-OG 3.09Å; V3-L7 HydrophobicContact CG1-CD1 4.03Å; V3-L7 PolarHBondContact O-N 3.22Å
4	I	51.6	Low	49.8	Very low	107 Å²	107	102.8 Å²	102.8	55%	0.549	57%	0.574	S	S	.	*	H	α-helix	trans	-69.6	-42.8	176.2	-61.2	174	0	0	0	109.1	M1 S6 L7 L8	M1-I4 PolarHBondContact O-N 3.03Å; I4-S6 PolarHBondContact O-N 3.37Å; I4-L7 PolarHBondContact O-N 3.44Å; I4-L8 HydrophobicContact CG2-CD1 4.48Å; I4-L8 VanDerWaalsContact O-CB 3.32Å; I4-L8 WeakPolarHBondContact O-CB 3.47Å; I4-L8 PolarHBondContact O-N 3.09Å
5	N	47.2	Very low	50.5	Low	106 Å²	106	101.3 Å²	101.3	57%	0.567	56%	0.564	S	S	*	*	H	α-helix	trans	-65.1	-36	174.9	-80.8	-4.1	0	0	0	112.9	M1 T2 L7 V9	M1-N5 PolarHBondContact O-N 3.44Å; T2-N5 PolarHBondContact O-N 2.98Å; N5-L7 VanDerWaalsContact C-N 3.32Å; N5-L7 PolarHBondContact O-N 3.25Å; N5-V9 WeakPolarHBondContact O-CB 3.01Å; N5-V9 WeakPolarHBondContact O-CG2 3.48Å; N5-V9 PolarHBondContact O-N 3.43Å
6	S	50.8	Low	51.3	Low	76 Å²	76	103.6 Å²	103.6	53%	0.531	57%	0.571	S	S	.	*	H	α-helix	trans	-72.1	-23.4	-180	72.8	0	0	0	0	113.8	T2 V3 I4 P10	T2-S6 PolarHBondContact O-N 3.41Å; V3-S6 PolarHBondContact O-N 2.92Å; V3-S6 PolarHBondContact O-OG 3.4Å; V3-S6 VanDerWaalsContact O-OG 3.09Å; I4-S6 PolarHBondContact O-N 3.37Å; S6-P10 WeakPolarHBondContact O-CD 3.15Å; S6-P10 WeakPolarHBondContact O-CG 3.32Å
7	L	48.3	Very low	52.4	Low	114 Å²	114	102.2 Å²	102.2	60%	0.597	56%	0.562	S	S	*	*	H	α-helix	trans	-95	-38.3	177.2	-87.6	145.3	0	0	0	112.6	V3 I4 N5 P10 M11	V3-L7 HydrophobicContact CG1-CD1 4.03Å; V3-L7 PolarHBondContact O-N 3.22Å; I4-L7 PolarHBondContact O-N 3.44Å; N5-L7 VanDerWaalsContact C-N 3.32Å; N5-L7 PolarHBondContact O-N 3.25Å; L7-P10 WeakPolarHBondContact O-CD 3.42Å; L7-P10 WeakPolarHBondContact O-CG 3.34Å; L7-M11 WeakPolarHBondContact O-CB 3.49Å; L7-M11 PolarHBondContact O-N 3.46Å
8	L	45	Very low	53.2	Low	100 Å²	100	100.9 Å²	100.9	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-72.2	-36.1	-177.8	-132.1	92.9	0	0	0	112.6	I4 M11 L12	I4-L8 HydrophobicContact CG2-CD1 4.48Å; I4-L8 VanDerWaalsContact O-CB 3.32Å; I4-L8 WeakPolarHBondContact O-CB 3.47Å; I4-L8 PolarHBondContact O-N 3.09Å; L8-M11 PolarHBondContact O-N 3.27Å; L8-L12 HydrophobicContact CD2-CD1 4.07Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.27Å; L8-L12 PolarHBondContact O-N 3.03Å
9	V	47.9	Very low	53.8	Low	94 Å²	94	100.7 Å²	100.7	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-64.8	-48.2	-179.3	174.3	0	0	0	0	112.4	N5 L12 S13	N5-V9 WeakPolarHBondContact O-CB 3.01Å; N5-V9 WeakPolarHBondContact O-CG2 3.48Å; N5-V9 PolarHBondContact O-N 3.43Å; V9-L12 PolarHBondContact O-N 2.75Å; V9-S13 VanDerWaalsContact O-CB 3.27Å; V9-S13 WeakPolarHBondContact O-CB 3.05Å; V9-S13 PolarHBondContact O-N 3.27Å
10	P	48	Very low	54.5	Low	63 Å²	63	104.9 Å²	104.9	41%	0.409	56%	0.558	S	S	.	*	H	α-helix	trans	-69.2	-31	174.4	24.1	-31.2	0	0	0	112.8	S6 L7 S13 N14	S6-P10 WeakPolarHBondContact O-CD 3.15Å; S6-P10 WeakPolarHBondContact O-CG 3.32Å; L7-P10 WeakPolarHBondContact O-CD 3.42Å; L7-P10 WeakPolarHBondContact O-CG 3.34Å; P10-S13 PolarHBondContact O-N 3.44Å; P10-N14 WeakPolarHBondContact O-CB 3.38Å; P10-N14 PolarHBondContact O-N 3.23Å
11	M	48.1	Very low	55.4	Low	104 Å²	104	104.1 Å²	104.1	51%	0.512	55%	0.553	S	S	.	*	H	α-helix	trans	-66.7	-41.4	173.7	-86	-141.8	152.9	0	0	112.9	L7 L8 N15	L7-M11 WeakPolarHBondContact O-CB 3.49Å; L7-M11 PolarHBondContact O-N 3.46Å; L8-M11 PolarHBondContact O-N 3.27Å; M11-N15 WeakPolarHBondContact O-CB 3.45Å; M11-N15 PolarHBondContact O-N 3.26Å
12	L	50.8	Low	56.8	Low	105 Å²	105	100.4 Å²	100.4	55%	0.55	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-37	173.9	-74.9	167.4	0	0	0	111.6	L8 V9 N15 M16	L8-L12 HydrophobicContact CD2-CD1 4.07Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.27Å; L8-L12 PolarHBondContact O-N 3.03Å; V9-L12 PolarHBondContact O-N 2.75Å; L12-N15 PolarHBondContact O-N 3.24Å; L12-M16 WeakPolarHBondContact O-CB 3.24Å; L12-M16 PolarHBondContact O-N 2.87Å
13	S	59	Low	57.7	Low	56 Å²	56	100.2 Å²	100.2	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-63.3	-46.9	174.4	-174.8	0	0	0	0	111.6	V9 P10 M16 I17	V9-S13 VanDerWaalsContact O-CB 3.27Å; V9-S13 WeakPolarHBondContact O-CB 3.05Å; V9-S13 PolarHBondContact O-N 3.27Å; P10-S13 PolarHBondContact O-N 3.44Å; S13-M16 PolarHBondContact O-N 2.9Å; S13-I17 VanDerWaalsContact O-CG1 3.23Å; S13-I17 WeakPolarHBondContact O-CG1 3.38Å; S13-I17 PolarHBondContact O-N 3.35Å
14	N	60.1	Low	58.8	Low	96 Å²	96	100.7 Å²	100.7	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176.3	-83.7	-7.7	0	0	0	112.1	P10 M16 I17 I18	P10-N14 WeakPolarHBondContact O-CB 3.38Å; P10-N14 PolarHBondContact O-N 3.23Å; N14-M16 VanDerWaalsContact C-N 3.33Å; N14-M16 PolarHBondContact O-N 3.38Å; N14-I17 PolarHBondContact O-N 3.4Å; N14-I18 WeakPolarHBondContact O-CB 3.32Å; N14-I18 WeakPolarHBondContact O-CD1 3.49Å; N14-I18 WeakPolarHBondContact O-CG1 3.3Å; N14-I18 PolarHBondContact O-N 3.37Å
15	N	60.1	Low	59.6	Low	80 Å²	80	100.1 Å²	100.1	43%	0.428	51%	0.514	S	S	.	.	H	α-helix	trans	-65.3	-36.7	175.3	-80.5	-24.4	0	0	0	112.3	M11 L12 L19	M11-N15 WeakPolarHBondContact O-CB 3.45Å; M11-N15 PolarHBondContact O-N 3.26Å; L12-N15 PolarHBondContact O-N 3.24Å; N15-L19 VanDerWaalsContact O-CB 3.3Å; N15-L19 WeakPolarHBondContact O-CB 3.21Å; N15-L19 PolarHBondContact O-N 3.46Å
16	M	62.8	Low	60.6	Low	138 Å²	138	99.8 Å²	99.8	68%	0.68	51%	0.512	S	S	*	.	H	α-helix	trans	-66	-41.9	172.2	-89.1	-125.2	-58.7	0	0	112.2	L12 S13 N14 L19 R20	L12-M16 WeakPolarHBondContact O-CB 3.24Å; L12-M16 PolarHBondContact O-N 2.87Å; S13-M16 PolarHBondContact O-N 2.9Å; N14-M16 VanDerWaalsContact C-N 3.33Å; N14-M16 PolarHBondContact O-N 3.38Å; M16-L19 PolarHBondContact O-N 3.4Å; M16-R20 WeakPolarHBondContact O-CB 3.41Å; M16-R20 PolarHBondContact O-N 2.83Å
17	I	70.9	Confident	61.6	Low	81 Å²	81	102.6 Å²	102.6	42%	0.415	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-45.6	176.8	-69.2	162.8	0	0	0	109.7	S13 N14 L19 R20 I21	S13-I17 VanDerWaalsContact O-CG1 3.23Å; S13-I17 WeakPolarHBondContact O-CG1 3.38Å; S13-I17 PolarHBondContact O-N 3.35Å; N14-I17 PolarHBondContact O-N 3.4Å; I17-L19 PolarHBondContact O-N 3.07Å; I17-R20 WeakPolarHBondContact O-CB 3.43Å; I17-R20 PolarHBondContact O-N 3.49Å; I17-I21 HydrophobicContact CG2-CD1 3.73Å; I17-I21 HydrophobicContact CG2-CG1 4.38Å; I17-I21 WeakPolarHBondContact O-CB 3.35Å; I17-I21 VanDerWaalsContact O-CG1 3.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.23Å; I17-I21 PolarHBondContact O-N 3Å
18	I	66.6	Low	62.6	Low	78 Å²	78	102.6 Å²	102.6	40%	0.4	52%	0.515	S	S	.	.	H	α-helix	trans	-60.2	-46.5	175.7	-69.5	165.3	0	0	0	110.3	N14 R20 I21 Y22	N14-I18 WeakPolarHBondContact O-CB 3.32Å; N14-I18 WeakPolarHBondContact O-CD1 3.49Å; N14-I18 WeakPolarHBondContact O-CG1 3.3Å; N14-I18 PolarHBondContact O-N 3.37Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 3.42Å; I18-I21 PolarHBondContact O-N 3.13Å; I18-Y22 HydrophobicContact CG2-CD2 3.57Å; I18-Y22 HydrophobicContact CG2-CE2 3.54Å; I18-Y22 VanDerWaalsContact O-CD2 3.25Å; I18-Y22 WeakPolarHBondContact O-CD2 3.48Å; I18-Y22 PolarHBondContact O-N 2.98Å
19	L	63.7	Low	63.8	Low	97 Å²	97	100.9 Å²	100.9	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-38.1	176.8	-167.6	74.5	0	0	0	111.7	N15 M16 I17 Y22 M23	N15-L19 VanDerWaalsContact O-CB 3.3Å; N15-L19 WeakPolarHBondContact O-CB 3.21Å; N15-L19 PolarHBondContact O-N 3.46Å; M16-L19 PolarHBondContact O-N 3.4Å; I17-L19 PolarHBondContact O-N 3.07Å; L19-Y22 PolarHBondContact O-N 3.25Å; L19-M23 WeakPolarHBondContact O-CB 3.32Å; L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.4Å; L19-M23 PolarHBondContact O-N 2.82Å
20	R	68.3	Low	64.8	Low	184 Å²	184	99 Å²	99	69%	0.694	50%	0.502	S	S	*	.	H	α-helix	trans	-66.6	-41.2	176.1	-143.8	176.3	-165.6	-176.6	3.5	111	M16 I17 I18 M23 H24	M16-R20 WeakPolarHBondContact O-CB 3.41Å; M16-R20 PolarHBondContact O-N 2.83Å; I17-R20 WeakPolarHBondContact O-CB 3.43Å; I17-R20 PolarHBondContact O-N 3.49Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 3.42Å; R20-M23 PolarHBondContact O-N 3.49Å; R20-H24 WeakPolarHBondContact O-CB 3.41Å; R20-H24 PolarHBondContact O-CD2 2.84Å; R20-H24 PolarHBondContact O-N 2.94Å
21	I	72.8	Confident	65.9	Low	90 Å²	90	100.9 Å²	100.9	46%	0.462	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-45.3	174.2	-69.5	165.1	0	0	0	110.1	I17 I18 H24 L25	I17-I21 HydrophobicContact CG2-CD1 3.73Å; I17-I21 HydrophobicContact CG2-CG1 4.38Å; I17-I21 WeakPolarHBondContact O-CB 3.35Å; I17-I21 VanDerWaalsContact O-CG1 3.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.23Å; I17-I21 PolarHBondContact O-N 3Å; I18-I21 PolarHBondContact O-N 3.13Å; I21-H24 PolarHBondContact O-N 3.38Å; I21-L25 HydrophobicContact CG2-CD1 3.68Å; I21-L25 HydrophobicContact CG2-CG 4.45Å; I21-L25 WeakPolarHBondContact O-CB 3.48Å; I21-L25 WeakPolarHBondContact O-CG 3.25Å; I21-L25 PolarHBondContact O-N 3.12Å
22	Y	71	Confident	66.9	Low	117 Å²	117	98.9 Å²	98.9	46%	0.459	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-41.2	175.7	-86.5	-71.5	0	0	0	112.5	I18 L19 H24 L25 L26 Q552	I18-Y22 HydrophobicContact CG2-CD2 3.57Å; I18-Y22 HydrophobicContact CG2-CE2 3.54Å; I18-Y22 VanDerWaalsContact O-CD2 3.25Å; I18-Y22 WeakPolarHBondContact O-CD2 3.48Å; I18-Y22 PolarHBondContact O-N 2.98Å; L19-Y22 PolarHBondContact O-N 3.25Å; Y22-H24 VanDerWaalsContact C-N 3.34Å; Y22-L25 PolarHBondContact O-N 2.86Å; Y22-L26 VanDerWaalsContact O-CB 3.3Å; Y22-L26 WeakPolarHBondContact O-CB 3.25Å; Y22-L26 PolarHBondContact O-N 3.47Å; Y22-Q552 PolarHBondContact OH-NE2 3.18Å
23	M	68.1	Low	67.7	Low	120 Å²	120	99 Å²	99	59%	0.591	51%	0.505	S	S	*	.	H	α-helix	trans	-64	-39.9	174	-78.7	-72.8	-167.3	0	0	111.5	L19 R20 L26 K27	L19-M23 WeakPolarHBondContact O-CB 3.32Å; L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.4Å; L19-M23 PolarHBondContact O-N 2.82Å; R20-M23 PolarHBondContact O-N 3.49Å; M23-L26 PolarHBondContact O-N 3.38Å; M23-K27 VanDerWaalsContact O-CB 3.27Å; M23-K27 WeakPolarHBondContact O-CB 3.39Å; M23-K27 PolarHBondContact O-N 3.34Å
24	H	72.8	Confident	68.3	Low	108 Å²	108	100.9 Å²	100.9	50%	0.5	51%	0.51	S	S	.	.	H	α-helix	trans	-65.8	-43.5	173.6	-84.7	-67	0	0	0	111.6	R20 I21 Y22 K27 L28	R20-H24 WeakPolarHBondContact O-CB 3.41Å; R20-H24 PolarHBondContact O-CD2 2.84Å; R20-H24 PolarHBondContact O-N 2.94Å; I21-H24 PolarHBondContact O-N 3.38Å; Y22-H24 VanDerWaalsContact C-N 3.34Å; H24-K27 CarbonylContact O-C 3.59Å; H24-K27 PolarHBondContact O-N 3.06Å; H24-L28 WeakPolarHBondContact O-CB 3.4Å; H24-L28 WeakPolarHBondContact O-CD1 3.44Å; H24-L28 PolarHBondContact O-N 3.45Å
25	L	68.2	Low	68.7	Low	96 Å²	96	103.4 Å²	103.4	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-40.6	175.1	-81.7	159	0	0	0	111.9	I21 Y22 L28 S29	I21-L25 HydrophobicContact CG2-CD1 3.68Å; I21-L25 HydrophobicContact CG2-CG 4.45Å; I21-L25 WeakPolarHBondContact O-CB 3.48Å; I21-L25 WeakPolarHBondContact O-CG 3.25Å; I21-L25 PolarHBondContact O-N 3.12Å; Y22-L25 PolarHBondContact O-N 2.86Å; L25-L28 CarbonylContact O-C 3.51Å; L25-L28 WeakPolarHBondContact O-CB 3.38Å; L25-L28 PolarHBondContact O-N 3.23Å; L25-S29 WeakPolarHBondContact O-CB 3.44Å; L25-S29 PolarHBondContact O-N 2.87Å
26	L	69.6	Low	69	Low	98 Å²	98	104.2 Å²	104.2	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-67.7	-39.1	175.3	-165.3	79.9	0	0	0	111	Y22 M23 S29 S30	Y22-L26 VanDerWaalsContact O-CB 3.3Å; Y22-L26 WeakPolarHBondContact O-CB 3.25Å; Y22-L26 PolarHBondContact O-N 3.47Å; M23-L26 PolarHBondContact O-N 3.38Å; L26-S29 PolarHBondContact O-N 3.42Å; L26-S29 PolarHBondContact O-OG 3.48Å; L26-S30 WeakPolarHBondContact O-CB 3.37Å; L26-S30 PolarHBondContact O-N 3.26Å; L26-S30 PolarHBondContact O-OG 3.18Å
27	K	72	Confident	69.1	Low	136 Å²	136	102.3 Å²	102.3	59%	0.591	51%	0.512	S	S	*	.	H	α-helix	trans	-64.7	-43.4	174	-156	172.6	-175.4	179.6	0	110.3	M23 H24 S30 L31	M23-K27 VanDerWaalsContact O-CB 3.27Å; M23-K27 WeakPolarHBondContact O-CB 3.39Å; M23-K27 PolarHBondContact O-N 3.34Å; H24-K27 CarbonylContact O-C 3.59Å; H24-K27 PolarHBondContact O-N 3.06Å; K27-S30 PolarHBondContact O-N 3.06Å; K27-S30 PolarHBondContact O-OG 3.26Å; K27-L31 HydrophobicContact CG-CD1 4.28Å; K27-L31 WeakPolarHBondContact O-CB 3.31Å; K27-L31 WeakPolarHBondContact O-CD1 3.35Å; K27-L31 PolarHBondContact O-N 3.46Å
28	L	69.6	Low	68.8	Low	114 Å²	114	103.4 Å²	103.4	60%	0.597	52%	0.518	S	S	*	.	H	α-helix	trans	-62	-39.8	173	-92.9	139.2	0	0	0	112.3	H24 L25 L31 S32	H24-L28 WeakPolarHBondContact O-CB 3.4Å; H24-L28 WeakPolarHBondContact O-CD1 3.44Å; H24-L28 PolarHBondContact O-N 3.45Å; L25-L28 CarbonylContact O-C 3.51Å; L25-L28 WeakPolarHBondContact O-CB 3.38Å; L25-L28 PolarHBondContact O-N 3.23Å; L28-L31 PolarHBondContact O-N 2.81Å; L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.3Å
29	S	68.3	Low	68.5	Low	64 Å²	64	102.2 Å²	102.2	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-70.5	-39.1	177.3	76.9	0	0	0	0	111.4	L25 L26 S32 L33	L25-S29 WeakPolarHBondContact O-CB 3.44Å; L25-S29 PolarHBondContact O-N 2.87Å; L26-S29 PolarHBondContact O-N 3.42Å; L26-S29 PolarHBondContact O-OG 3.48Å; S29-S32 PolarHBondContact O-N 3.09Å; S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 PolarHBondContact O-N 3.2Å
30	S	69.8	Low	68	Low	55 Å²	55	100.7 Å²	100.7	39%	0.385	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-40.9	174.3	72.6	0	0	0	0	111.9	L26 K27 L33 I34	L26-S30 WeakPolarHBondContact O-CB 3.37Å; L26-S30 PolarHBondContact O-N 3.26Å; L26-S30 PolarHBondContact O-OG 3.18Å; K27-S30 PolarHBondContact O-N 3.06Å; K27-S30 PolarHBondContact O-OG 3.26Å; S30-L33 PolarHBondContact O-N 3.34Å; S30-I34 VanDerWaalsContact O-CG1 3.31Å; S30-I34 WeakPolarHBondContact O-CG1 3.27Å; S30-I34 PolarHBondContact O-N 2.81Å
31	L	70.9	Confident	67.1	Low	101 Å²	101	98.8 Å²	98.8	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-40.8	173	-93.4	146.6	0	0	0	111.2	K27 L28 L33 I34 F35	K27-L31 HydrophobicContact CG-CD1 4.28Å; K27-L31 WeakPolarHBondContact O-CB 3.31Å; K27-L31 WeakPolarHBondContact O-CD1 3.35Å; K27-L31 PolarHBondContact O-N 3.46Å; L28-L31 PolarHBondContact O-N 2.81Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-I34 PolarHBondContact O-N 2.85Å; L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.49Å; L31-F35 PolarHBondContact O-N 3.29Å
32	S	70.2	Confident	66	Low	63 Å²	63	97.3 Å²	97.3	44%	0.441	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-41	174.5	-178.8	0	0	0	0	111.4	L28 S29 F35 I36	L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.3Å; S29-S32 PolarHBondContact O-N 3.09Å; S32-F35 CarbonylContact O-C 3.6Å; S32-F35 PolarHBondContact O-N 3.28Å; S32-I36 WeakPolarHBondContact O-CB 3.4Å; S32-I36 WeakPolarHBondContact O-CD1 3.34Å; S32-I36 WeakPolarHBondContact O-CG1 3.36Å; S32-I36 PolarHBondContact O-N 3.31Å
33	L	66.5	Low	64.7	Low	108 Å²	108	96.4 Å²	96.4	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-68.2	-39.9	177.6	-158.1	124.7	0	0	0	112	S29 S30 L31 F35 I36 L37	S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 PolarHBondContact O-N 3.2Å; S30-L33 PolarHBondContact O-N 3.34Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L33-F35 VanDerWaalsContact C-N 3.33Å; L33-I36 PolarHBondContact O-N 2.87Å; L33-L37 HydrophobicContact CD2-CD1 4Å; L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 PolarHBondContact O-N 3.49Å
34	I	72.4	Confident	63.6	Low	95 Å²	95	96.3 Å²	96.3	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-41.4	171.5	-68	164.3	0	0	0	110.2	S30 L31 L37 L38	S30-I34 VanDerWaalsContact O-CG1 3.31Å; S30-I34 WeakPolarHBondContact O-CG1 3.27Å; S30-I34 PolarHBondContact O-N 2.81Å; L31-I34 PolarHBondContact O-N 2.85Å; I34-L37 PolarHBondContact O-N 2.96Å; I34-L38 HydrophobicContact CG2-CD1 3.97Å; I34-L38 WeakPolarHBondContact O-CB 3.3Å; I34-L38 PolarHBondContact O-N 3.38Å
35	F	67.6	Low	62.3	Low	148 Å²	148	93.9 Å²	93.9	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-67	-38.2	177.6	-151.5	-89.3	0	0	0	111.4	L31 S32 L33 L38 V39	L31-F35 VanDerWaalsContact O-CB 3.27Å; L31-F35 WeakPolarHBondContact O-CB 3.49Å; L31-F35 PolarHBondContact O-N 3.29Å; S32-F35 CarbonylContact O-C 3.6Å; S32-F35 PolarHBondContact O-N 3.28Å; L33-F35 VanDerWaalsContact C-N 3.33Å; F35-L38 PolarHBondContact O-N 2.93Å; F35-V39 HydrophobicContact CD1-CG2 3.64Å; F35-V39 HydrophobicContact CE1-CG2 3.67Å; F35-V39 WeakPolarHBondContact O-CB 3.32Å; F35-V39 WeakPolarHBondContact O-CG2 3.37Å; F35-V39 PolarHBondContact O-N 3.48Å
36	I	66.5	Low	60.8	Low	98 Å²	98	93.1 Å²	93.1	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-41.5	172.9	-69.3	161.7	0	0	0	110.1	S32 L33 S40	S32-I36 WeakPolarHBondContact O-CB 3.4Å; S32-I36 WeakPolarHBondContact O-CD1 3.34Å; S32-I36 WeakPolarHBondContact O-CG1 3.36Å; S32-I36 PolarHBondContact O-N 3.31Å; L33-I36 PolarHBondContact O-N 2.87Å; I36-S40 WeakPolarHBondContact O-CB 3.48Å; I36-S40 PolarHBondContact O-N 3.39Å; I36-S40 PolarHBondContact O-OG 2.82Å
37	L	65.6	Low	59.2	Low	97 Å²	97	91.8 Å²	91.8	51%	0.508	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-43	174.9	-93.4	156.7	0	0	0	111.9	L33 I34 S40 F41	L33-L37 HydrophobicContact CD2-CD1 4Å; L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 PolarHBondContact O-N 3.49Å; I34-L37 PolarHBondContact O-N 2.96Å; L37-S40 PolarHBondContact O-N 2.95Å; L37-F41 WeakPolarHBondContact O-CB 3.24Å; L37-F41 PolarHBondContact O-N 3.19Å
38	L	64.8	Low	57.5	Low	104 Å²	104	89.6 Å²	89.6	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-45.3	176	-114.1	132.9	0	0	0	111.1	I34 F35 S40 F41 T42	I34-L38 HydrophobicContact CG2-CD1 3.97Å; I34-L38 WeakPolarHBondContact O-CB 3.3Å; I34-L38 PolarHBondContact O-N 3.38Å; F35-L38 PolarHBondContact O-N 2.93Å; L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 2.83Å; L38-F41 CarbonylContact O-C 3.53Å; L38-F41 PolarHBondContact O-N 3.11Å; L38-T42 WeakPolarHBondContact O-CB 3.22Å; L38-T42 WeakPolarHBondContact O-CG2 3.44Å; L38-T42 PolarHBondContact O-N 2.89Å; L38-T42 PolarHBondContact O-OG1 3.4Å; L38-T42 VanDerWaalsContact O-OG1 3.06Å
39	V	59.2	Low	55.6	Low	54 Å²	54	90.5 Å²	90.5	33%	0.327	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-36.3	174.5	169.8	0	0	0	0	110.6	F35 T42 N43	F35-V39 HydrophobicContact CD1-CG2 3.64Å; F35-V39 HydrophobicContact CE1-CG2 3.67Å; F35-V39 WeakPolarHBondContact O-CB 3.32Å; F35-V39 WeakPolarHBondContact O-CG2 3.37Å; F35-V39 PolarHBondContact O-N 3.48Å; V39-T42 VanDerWaalsContact CA-OG1 3.3Å; V39-T42 WeakPolarHBondContact CA-OG1 3.42Å; V39-T42 PolarHBondContact O-OG1 2.82Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.34Å; V39-N43 WeakPolarHBondContact O-CA 3.31Å; V39-N43 WeakPolarHBondContact O-CB 3.48Å; V39-N43 PolarHBondContact O-N 3.28Å; V39-N43 PolarHBondContact O-ND2 2.92Å
40	S	53.9	Low	53.7	Low	65 Å²	65	93 Å²	93	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-69	-40.1	174.4	-59	0	0	0	0	111.1	I36 L37 L38 N43 L44	I36-S40 WeakPolarHBondContact O-CB 3.48Å; I36-S40 PolarHBondContact O-N 3.39Å; I36-S40 PolarHBondContact O-OG 2.82Å; L37-S40 PolarHBondContact O-N 2.95Å; L38-S40 VanDerWaalsContact C-N 3.27Å; L38-S40 PolarHBondContact O-N 2.83Å; S40-N43 CarbonylContact O-C 3.56Å; S40-N43 PolarHBondContact O-N 3.22Å; S40-L44 VanDerWaalsContact O-CB 3.27Å; S40-L44 WeakPolarHBondContact O-CB 3.48Å; S40-L44 PolarHBondContact O-N 2.88Å
41	F	50	Low	52	Low	143 Å²	143	93.1 Å²	93.1	63%	0.627	51%	0.505	S	S	*	.	H	α-helix	trans	-68.7	-41.9	175.6	-115.6	-84.7	0	0	0	112.1	L37 L38 N43 L44 S45	L37-F41 WeakPolarHBondContact O-CB 3.24Å; L37-F41 PolarHBondContact O-N 3.19Å; L38-F41 CarbonylContact O-C 3.53Å; L38-F41 PolarHBondContact O-N 3.11Å; F41-N43 VanDerWaalsContact C-N 3.34Å; F41-L44 PolarHBondContact O-N 3.32Å; F41-S45 VanDerWaalsContact O-CB 3.29Å; F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 3.39Å; F41-S45 PolarHBondContact O-OG 3.4Å
42	T	49.2	Very low	50.1	Low	60 Å²	60	96.6 Å²	96.6	37%	0.368	52%	0.516	S	S	.	.	H	α-helix	trans	-70.7	-32.8	174.4	57.9	0	0	0	0	110.7	L38 V39 N46	L38-T42 WeakPolarHBondContact O-CB 3.22Å; L38-T42 WeakPolarHBondContact O-CG2 3.44Å; L38-T42 PolarHBondContact O-N 2.89Å; L38-T42 PolarHBondContact O-OG1 3.4Å; L38-T42 VanDerWaalsContact O-OG1 3.06Å; V39-T42 VanDerWaalsContact CA-OG1 3.3Å; V39-T42 WeakPolarHBondContact CA-OG1 3.42Å; V39-T42 PolarHBondContact O-OG1 2.82Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; T42-N46 WeakPolarHBondContact O-CA 3.43Å; T42-N46 WeakPolarHBondContact O-CB 3.37Å; T42-N46 PolarHBondContact O-N 3.49Å
43	N	44.5	Very low	48.2	Very low	97 Å²	97	97 Å²	97	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-74.5	-27.3	172.4	-76.1	-17.3	0	0	0	112	V39 S40 F41 S47	V39-N43 WeakPolarHBondContact CG1-ND2 3.34Å; V39-N43 WeakPolarHBondContact O-CA 3.31Å; V39-N43 WeakPolarHBondContact O-CB 3.48Å; V39-N43 PolarHBondContact O-N 3.28Å; V39-N43 PolarHBondContact O-ND2 2.92Å; S40-N43 CarbonylContact O-C 3.56Å; S40-N43 PolarHBondContact O-N 3.22Å; F41-N43 VanDerWaalsContact C-N 3.34Å; N43-S47 VanDerWaalsContact O-CA 3.31Å; N43-S47 WeakPolarHBondContact O-CA 3.28Å; N43-S47 WeakPolarHBondContact O-CB 3.27Å; N43-S47 PolarHBondContact O-N 2.79Å
44	L	44.4	Very low	46.3	Very low	118 Å²	118	98.4 Å²	98.4	62%	0.618	53%	0.526	S	S	*	.	H	α-helix	trans	-74.4	-43.6	172.4	-155.8	74.1	0	0	0	110.1	S40 F41 S47 T48	S40-L44 VanDerWaalsContact O-CB 3.27Å; S40-L44 WeakPolarHBondContact O-CB 3.48Å; S40-L44 PolarHBondContact O-N 2.88Å; F41-L44 PolarHBondContact O-N 3.32Å; L44-S47 PolarHBondContact O-N 2.86Å; L44-T48 WeakPolarHBondContact O-CG2 3.24Å; L44-T48 PolarHBondContact O-N 3.49Å; L44-T48 PolarHBondContact O-OG1 3.42Å
45	S	44	Very low	44.3	Very low	57 Å²	57	99.2 Å²	99.2	40%	0.399	53%	0.531	S	S	.	.	H	α-helix	trans	-69.1	-44.2	177.3	-50.9	0	0	0	0	111.4	F41 S47 T48 H49	F41-S45 VanDerWaalsContact O-CB 3.29Å; F41-S45 WeakPolarHBondContact O-CB 3.46Å; F41-S45 PolarHBondContact O-N 3.39Å; F41-S45 PolarHBondContact O-OG 3.4Å; S45-S47 VanDerWaalsContact C-N 3.34Å; S45-T48 PolarHBondContact O-N 2.86Å; S45-T48 PolarHBondContact O-OG1 3.48Å; S45-H49 PolarHBondContact O-N 2.93Å
46	N	37.1	Very low	42.4	Very low	80 Å²	80	96.4 Å²	96.4	43%	0.428	53%	0.529	S	S	.	.	H	α-helix	trans	-73.5	-23.3	171.8	-70.5	-13.4	0	0	0	111.5	T42 T48 H49 F50	T42-N46 WeakPolarHBondContact O-CA 3.43Å; T42-N46 WeakPolarHBondContact O-CB 3.37Å; T42-N46 PolarHBondContact O-N 3.49Å; N46-T48 VanDerWaalsContact C-N 3.32Å; N46-H49 PolarHBondContact O-N 3.24Å; N46-F50 HydrophobicContact CB-CD2 4.17Å; N46-F50 WeakPolarHBondContact O-CA 3.49Å; N46-F50 WeakPolarHBondContact O-CB 3.31Å; N46-F50 PolarHBondContact O-N 2.94Å
47	S	36.1	Very low	40.8	Very low	70 Å²	70	100.5 Å²	100.5	49%	0.49	54%	0.544	S	S	.	.	H	α-helix	trans	-68.2	-37.4	167.9	172.1	0	0	0	0	109.9	N43 L44 S45 A51	N43-S47 VanDerWaalsContact O-CA 3.31Å; N43-S47 WeakPolarHBondContact O-CA 3.28Å; N43-S47 WeakPolarHBondContact O-CB 3.27Å; N43-S47 PolarHBondContact O-N 2.79Å; L44-S47 PolarHBondContact O-N 2.86Å; S45-S47 VanDerWaalsContact C-N 3.34Å; S47-A51 WeakPolarHBondContact O-CB 3.5Å; S47-A51 PolarHBondContact O-N 3.33Å
48	T	36.2	Very low	39	Very low	90 Å²	90	103.3 Å²	103.3	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-70.2	-29.3	172.4	57.5	0	0	0	0	113.4	L44 S45 N46	L44-T48 WeakPolarHBondContact O-CG2 3.24Å; L44-T48 PolarHBondContact O-N 3.49Å; L44-T48 PolarHBondContact O-OG1 3.42Å; S45-T48 PolarHBondContact O-N 2.86Å; S45-T48 PolarHBondContact O-OG1 3.48Å; N46-T48 VanDerWaalsContact C-N 3.32Å
49	H	30.7	Very low	37.4	Very low	133 Å²	133	105.5 Å²	105.5	62%	0.616	57%	0.567	S	S	*	*	H	α-helix	trans	-89.4	-34.8	177.7	-104.9	-78.5	0	0	0	114.6	S45 N46 K52 S53	S45-H49 PolarHBondContact O-N 2.93Å; N46-H49 PolarHBondContact O-N 3.24Å; H49-K52 CarbonylContact O-C 3.57Å; H49-K52 WeakPolarHBondContact O-CA 3.37Å; H49-K52 WeakPolarHBondContact O-CB 3.39Å; H49-K52 PolarHBondContact O-N 2.77Å; H49-S53 PolarHBondContact O-N 2.77Å
50	F	28.5	Very low	36.2	Very low	118 Å²	118	109.2 Å²	109.2	52%	0.518	58%	0.583	S	S	.	*	H	α-helix	trans	-79	-29.1	173.7	-93.1	-89.8	0	0	0	112.2	N46 K52 S53 L54	N46-F50 HydrophobicContact CB-CD2 4.17Å; N46-F50 WeakPolarHBondContact O-CA 3.49Å; N46-F50 WeakPolarHBondContact O-CB 3.31Å; N46-F50 PolarHBondContact O-N 2.94Å; F50-K52 PolarHBondContact O-N 3.24Å; F50-S53 PolarHBondContact O-N 3.26Å; F50-S53 VanDerWaalsContact O-N 3.1Å; F50-L54 HydrophobicContact CD1-CD1 3.92Å; F50-L54 HydrophobicContact CD1-CG 4.27Å; F50-L54 PolarHBondContact O-N 2.71Å
51	A	33.6	Very low	35.5	Very low	57 Å²	57	109.1 Å²	109.1	47%	0.471	58%	0.577	S	S	.	*	H	α-helix	trans	-60.7	-30.3	164.6	0	0	0	0	0	110.8	S47 L55	S47-A51 WeakPolarHBondContact O-CB 3.5Å; S47-A51 PolarHBondContact O-N 3.33Å; A51-L55 WeakPolarHBondContact O-CD1 3.44Å
52	K	30.9	Very low	35.2	Very low	174 Å²	174	104.3 Å²	104.3	76%	0.757	56%	0.561	S	S	*	*	H	α-helix	trans	-80.4	-25.8	170.7	-85.2	-177.5	173.1	-180	0	114.6	H49 F50	H49-K52 CarbonylContact O-C 3.57Å; H49-K52 WeakPolarHBondContact O-CA 3.37Å; H49-K52 WeakPolarHBondContact O-CB 3.39Å; H49-K52 PolarHBondContact O-N 2.77Å; F50-K52 PolarHBondContact O-N 3.24Å
53	S	29.6	Very low	35	Very low	70 Å²	70	103.3 Å²	103.3	49%	0.49	56%	0.555	S	S	.	*	H	α-helix	trans	-90	-30.7	-177.1	-176.2	0	0	0	0	114.4	H49 F50	H49-S53 PolarHBondContact O-N 2.77Å; F50-S53 PolarHBondContact O-N 3.26Å; F50-S53 VanDerWaalsContact O-N 3.1Å
54	L	28.6	Very low	35.3	Very low	139 Å²	139	100.7 Å²	100.7	73%	0.728	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.9	178.9	-82	159.7	0	0	0	113.2	F50 S56	F50-L54 HydrophobicContact CD1-CD1 3.92Å; F50-L54 HydrophobicContact CD1-CG 4.27Å; F50-L54 PolarHBondContact O-N 2.71Å; L54-S56 PolarHBondContact O-N 3.38Å
55	L	29.3	Very low	35.6	Very low	111 Å²	111	97.9 Å²	97.9	58%	0.581	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	17.2	168.5	-78.8	169.1	0	0	0	112.8	A51 K57 I60	A51-L55 WeakPolarHBondContact O-CD1 3.44Å; L55-K57 PolarHBondContact O-N 3.35Å; L55-I60 HydrophobicContact CD2-CD1 4.1Å
56	S	27.3	Very low	36	Very low	89 Å²	89	100.2 Å²	100.2	62%	0.622	53%	0.53	S	S	*	.	S	Bend	trans	-73.8	119.3	165.3	80.8	0	0	0	0	109.6	L54	L54-S56 PolarHBondContact O-N 3.38Å
57	K	32.5	Very low	36.8	Very low	184 Å²	184	97.6 Å²	97.6	80%	0.8	52%	0.516	S	S	*	.	S	Bend	trans	94.4	4.4	163.7	-66.8	-169.1	169.9	-168.9	0	120.8	L55	L55-K57 PolarHBondContact O-N 3.35Å
58	Q	28.5	Very low	37.8	Very low	157 Å²	157	94.8 Å²	94.8	73%	0.734	50%	0.496	S	S	*	.			trans	-112.1	99.4	149.9	-83.2	167.6	-13.1	0	0	106	I60	Q58-I60 HydrophobicContact CB-CG1 4.48Å; Q58-I60 PolarHBondContact O-N 2.89Å
59	N	32	Very low	38.8	Very low	150 Å²	150	94.1 Å²	94.1	80%	0.802	49%	0.486	S	S	*	.			trans	-59.2	85	164.7	-83.9	-14.2	0	0	0	106.2	I61	N59-I61 HydrophobicContact CB-CG1 3.99Å; N59-I61 PolarHBondContact O-N 2.91Å
60	I	32.4	Very low	40	Very low	131 Å²	131	90.2 Å²	90.2	67%	0.672	47%	0.469	S	S	*	.			trans	-71.1	79.6	161.8	-57	174.2	0	0	0	103.3	L55 Q58 S62	L55-I60 HydrophobicContact CD2-CD1 4.1Å; Q58-I60 HydrophobicContact CB-CG1 4.48Å; Q58-I60 PolarHBondContact O-N 2.89Å; I60-S62 PolarHBondContact O-N 3.21Å
61	I	39.9	Very low	41.4	Very low	63 Å²	63	84.8 Å²	84.8	32%	0.323	45%	0.446	S	S	.	.			trans	-56.8	118.9	168.4	-62.3	-176.2	0	0	0	103.9	N59 D65 H66 E69	N59-I61 HydrophobicContact CB-CG1 3.99Å; N59-I61 PolarHBondContact O-N 2.91Å; I61-D65 HydrophobicContact CB-CB 4.45Å; I61-D65 VanDerWaalsContact CG2-C 3.46Å; I61-D65 HydrophobicContact CG2-CB 3.23Å; I61-H66 HydrophobicContact CG2-CB 3.83Å; I61-E69 WeakPolarHBondContact CD1-OE2 3.38Å
62	S	44.6	Very low	42.8	Very low	43 Å²	43	83.1 Å²	83.1	30%	0.301	43%	0.43	S	S	.	.			trans	-50.5	143.8	175.1	-161.8	0	0	0	0	107.7	I60 E64 D65 H66	I60-S62 PolarHBondContact O-N 3.21Å; S62-E64 WeakPolarHBondContact CB-OE2 3.2Å; S62-E64 CarbonylContact O-C 3.57Å; S62-E64 PolarHBondContact O-N 2.98Å; S62-E64 PolarHBondContact OG-OE2 2.81Å; S62-D65 VanDerWaalsContact CB-OD2 3.31Å; S62-D65 WeakPolarHBondContact CB-OD2 3.46Å; S62-D65 CarbonylContact O-C 3.58Å; S62-D65 VanDerWaalsContact O-CA 3.31Å; S62-D65 WeakPolarHBondContact O-CA 3.22Å; S62-D65 WeakPolarHBondContact O-CB 3.15Å; S62-D65 PolarHBondContact O-N 3.35Å; S62-H66 PolarHBondContact O-N 3.42Å
63	P	44.8	Very low	44.3	Very low	38 Å²	38	79.3 Å²	79.3	25%	0.247	42%	0.418	C	S	.	.	H	α-helix	trans	-53.5	-32	-179.4	-28.3	35.4	0	0	0	113.9	H66 L67 Y245	P63-H66 PolarHBondContact O-N 3.47Å; P63-L67 PolarHBondContact O-N 2.71Å; P63-Y245 HydrophobicContact CB-CD1 3.18Å; P63-Y245 HydrophobicContact CB-CE1 3.09Å; P63-Y245 HydrophobicContact CB-CG 4.14Å; P63-Y245 HydrophobicContact CG-CD1 3.5Å; P63-Y245 HydrophobicContact CG-CE1 3.18Å
64	E	49.5	Very low	45.5	Very low	43 Å²	43	79.6 Å²	79.6	20%	0.201	41%	0.414	C	S	.	.	H	α-helix	trans	-69.6	-34.4	172.5	-49.7	104.8	145.7	0	0	112.5	S62 H66 I68 F247	S62-E64 WeakPolarHBondContact CB-OE2 3.2Å; S62-E64 CarbonylContact O-C 3.57Å; S62-E64 PolarHBondContact O-N 2.98Å; S62-E64 PolarHBondContact OG-OE2 2.81Å; E64-H66 VanDerWaalsContact C-N 3.35Å; E64-I68 WeakPolarHBondContact O-CB 3.37Å; E64-I68 WeakPolarHBondContact O-CD1 3.19Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 3.35Å; E64-F247 HydrophobicContact CG-CD1 4.3Å
65	D	52	Low	47.1	Very low	58 Å²	58	73.5 Å²	73.5	31%	0.31	38%	0.383	S	S	.	.	H	α-helix	trans	-67.5	-38.9	173.7	-74.6	-51.8	0	0	0	110.5	I61 S62 I68 E69 R439	I61-D65 HydrophobicContact CB-CB 4.45Å; I61-D65 VanDerWaalsContact CG2-C 3.46Å; I61-D65 HydrophobicContact CG2-CB 3.23Å; S62-D65 VanDerWaalsContact CB-OD2 3.31Å; S62-D65 WeakPolarHBondContact CB-OD2 3.46Å; S62-D65 CarbonylContact O-C 3.58Å; S62-D65 VanDerWaalsContact O-CA 3.31Å; S62-D65 WeakPolarHBondContact O-CA 3.22Å; S62-D65 WeakPolarHBondContact O-CB 3.15Å; S62-D65 PolarHBondContact O-N 3.35Å; D65-I68 PolarHBondContact O-N 2.86Å; D65-E69 VanDerWaalsContact O-CB 3.26Å; D65-E69 WeakPolarHBondContact O-CB 3.3Å; D65-E69 PolarHBondContact O-N 3.37Å; D65-R439 VanDerWaalsContact CA-NH2 3.35Å; D65-R439 VanDerWaalsContact CG-CZ 3.42Å; D65-R439 IonicContact OD1-CZ 2.81Å; D65-R439 IonicContact OD1-NE 2.75Å; D65-R439 PolarHBondContact OD1-NE 2.94Å; D65-R439 IonicContact OD1-NH1 3.7Å; D65-R439 IonicContact OD1-NH2 2.76Å; D65-R439 PolarHBondContact OD1-NH2 2.7Å; D65-R439 IonicContact OD2-CZ 3.69Å; D65-R439 IonicContact OD2-NH1 3.99Å; D65-R439 IonicContact OD2-NH2 3.38Å; D65-R439 PolarHBondContact OD2-NH2 3.22Å
66	H	51.7	Low	48.7	Very low	106 Å²	106	74.1 Å²	74.1	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-67.9	-41.1	178.3	-176.2	-103.7	0	0	0	110.4	I61 S62 P63 E64 E69 I70	I61-H66 HydrophobicContact CG2-CB 3.83Å; S62-H66 PolarHBondContact O-N 3.42Å; P63-H66 PolarHBondContact O-N 3.47Å; E64-H66 VanDerWaalsContact C-N 3.35Å; H66-E69 PolarHBondContact O-N 2.87Å; H66-I70 WeakPolarHBondContact CE1-CD1 3.35Å; H66-I70 WeakPolarHBondContact ND1-CD1 3.48Å; H66-I70 WeakPolarHBondContact O-CB 3.47Å; H66-I70 WeakPolarHBondContact O-CG1 3.49Å; H66-I70 PolarHBondContact O-N 2.84Å
67	L	53.2	Low	50.6	Low	25 Å²	25	74.4 Å²	74.4	13%	0.131	38%	0.38	C	S	.	.	H	α-helix	trans	-66.4	-42.8	173	-169.8	73.8	0	0	0	111.8	P63 E69 I70 I71 Y194 F247	P63-L67 PolarHBondContact O-N 2.71Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 2.89Å; L67-I70 PolarHBondContact O-N 2.96Å; L67-I71 HydrophobicContact CD2-CD1 4.01Å; L67-I71 HydrophobicContact CG-CD1 3.77Å; L67-I71 HydrophobicContact CG-CG1 4.21Å; L67-I71 WeakPolarHBondContact O-CB 3.34Å; L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 2.77Å; L67-Y194 HydrophobicContact CD1-CD1 4.02Å; L67-Y194 HydrophobicContact CD1-CE1 3.9Å; L67-F247 HydrophobicContact CD2-CD1 4.46Å; L67-F247 HydrophobicContact CD2-CE1 3.42Å; L67-F247 VanDerWaalsContact CD2-CE1 3.42Å; L67-F247 HydrophobicContact CD2-CZ 3.82Å
68	I	57.5	Low	52.3	Low	12 Å²	12	67.3 Å²	67.3	6%	0.062	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-41.9	176.6	-74.2	163.2	0	0	0	110.7	E64 D65 I71 S72 I253 R439	E64-I68 WeakPolarHBondContact O-CB 3.37Å; E64-I68 WeakPolarHBondContact O-CD1 3.19Å; E64-I68 WeakPolarHBondContact O-CG1 3.41Å; E64-I68 PolarHBondContact O-N 3.35Å; D65-I68 PolarHBondContact O-N 2.86Å; I68-I71 PolarHBondContact O-N 3.35Å; I68-S72 VanDerWaalsContact O-CB 3.23Å; I68-S72 WeakPolarHBondContact O-CB 3.06Å; I68-S72 PolarHBondContact O-N 3.49Å; I68-S72 PolarHBondContact O-OG 2.91Å; I68-S72 VanDerWaalsContact O-OG 3.09Å; I68-I253 HydrophobicContact CG1-CG2 4.02Å; I68-R439 HydrophobicContact CD1-CG 4.17Å
69	E	58.5	Low	54.3	Low	75 Å²	75	62.5 Å²	62.5	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-49.9	175.5	-177.5	175.2	-176.7	0	0	110.2	I61 D65 H66 L67 I71 S72 N73	I61-E69 WeakPolarHBondContact CD1-OE2 3.38Å; D65-E69 VanDerWaalsContact O-CB 3.26Å; D65-E69 WeakPolarHBondContact O-CB 3.3Å; D65-E69 PolarHBondContact O-N 3.37Å; H66-E69 PolarHBondContact O-N 2.87Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 2.89Å; E69-I71 PolarHBondContact O-N 3.27Å; E69-S72 WeakPolarHBondContact CA-OG 3.47Å; E69-S72 PolarHBondContact O-N 3.34Å; E69-S72 PolarHBondContact O-OG 3.39Å; E69-N73 WeakPolarHBondContact CG-ND2 3.49Å; E69-N73 VanDerWaalsContact O-CB 3.26Å; E69-N73 WeakPolarHBondContact O-CB 3.36Å; E69-N73 PolarHBondContact O-N 2.92Å; E69-N73 PolarHBondContact O-ND2 3.33Å
70	I	54.7	Low	56	Low	51 Å²	51	55.4 Å²	55.4	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-58.5	-47.3	175.2	-70.4	168.3	0	0	0	111.4	H66 L67 N73 N74 Y194	H66-I70 WeakPolarHBondContact CE1-CD1 3.35Å; H66-I70 WeakPolarHBondContact ND1-CD1 3.48Å; H66-I70 WeakPolarHBondContact O-CB 3.47Å; H66-I70 WeakPolarHBondContact O-CG1 3.49Å; H66-I70 PolarHBondContact O-N 2.84Å; L67-I70 PolarHBondContact O-N 2.96Å; I70-N73 PolarHBondContact O-N 3.48Å; I70-N74 VanDerWaalsContact O-CB 3.31Å; I70-N74 WeakPolarHBondContact O-CB 3.27Å; I70-N74 PolarHBondContact O-N 2.76Å; I70-Y194 HydrophobicContact CG2-CE1 4.05Å
71	I	58.9	Low	57.7	Low	5 Å²	5	51 Å²	51	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-52.7	177	-71.3	165	0	0	0	108.4	L67 I68 E69 N73 N74 S75 Y194 I253 T435	L67-I71 HydrophobicContact CD2-CD1 4.01Å; L67-I71 HydrophobicContact CG-CD1 3.77Å; L67-I71 HydrophobicContact CG-CG1 4.21Å; L67-I71 WeakPolarHBondContact O-CB 3.34Å; L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 2.77Å; I68-I71 PolarHBondContact O-N 3.35Å; E69-I71 PolarHBondContact O-N 3.27Å; I71-N73 VanDerWaalsContact C-N 3.29Å; I71-N73 PolarHBondContact O-N 2.92Å; I71-N74 PolarHBondContact O-N 3.02Å; I71-S75 WeakPolarHBondContact O-CA 3.29Å; I71-S75 WeakPolarHBondContact O-CB 3.27Å; I71-S75 PolarHBondContact O-N 3.27Å; I71-S75 PolarHBondContact O-OG 2.99Å; I71-Y194 WeakPolarHBondContact CA-OH 2.92Å; I71-Y194 HydrophobicContact CD1-CE2 4.37Å; I71-Y194 HydrophobicContact CG1-CE2 3.73Å; I71-Y194 WeakPolarHBondContact CG1-OH 2.96Å; I71-I253 HydrophobicContact CD1-CB 4.23Å; I71-I253 HydrophobicContact CD1-CD1 4.11Å; I71-I253 HydrophobicContact CD1-CG2 4.18Å; I71-T435 HydrophobicContact CG2-CG2 3.98Å
72	S	62.7	Low	58.8	Low	21 Å²	21	48.1 Å²	48.1	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-31.8	-177.2	69.7	0	0	0	0	113.9	I68 E69 Q437	I68-S72 VanDerWaalsContact O-CB 3.23Å; I68-S72 WeakPolarHBondContact O-CB 3.06Å; I68-S72 PolarHBondContact O-N 3.49Å; I68-S72 PolarHBondContact O-OG 2.91Å; I68-S72 VanDerWaalsContact O-OG 3.09Å; E69-S72 WeakPolarHBondContact CA-OG 3.47Å; E69-S72 PolarHBondContact O-N 3.34Å; E69-S72 PolarHBondContact O-OG 3.39Å; S72-Q437 WeakPolarHBondContact OG-CG 3.45Å
73	N	61.1	Low	59.4	Low	95 Å²	95	47.9 Å²	47.9	51%	0.508	26%	0.262	S	S	.	.	H	α-helix	trans	-81.2	-29.6	-179.5	-69.6	-12.1	0	0	0	111.9	E69 I70 I71 Q437	E69-N73 WeakPolarHBondContact CG-ND2 3.49Å; E69-N73 VanDerWaalsContact O-CB 3.26Å; E69-N73 WeakPolarHBondContact O-CB 3.36Å; E69-N73 PolarHBondContact O-N 2.92Å; E69-N73 PolarHBondContact O-ND2 3.33Å; I70-N73 PolarHBondContact O-N 3.48Å; I71-N73 VanDerWaalsContact C-N 3.29Å; I71-N73 PolarHBondContact O-N 2.92Å; N73-Q437 PolarHBondContact OD1-NE2 3.38Å
74	N	56	Low	59.9	Low	75 Å²	75	51.2 Å²	51.2	40%	0.401	27%	0.274	S	S	.	.	H	α-helix	trans	-96.9	-27.5	179.8	-66	-9.2	0	0	0	113.1	I70 I71 I76	I70-N74 VanDerWaalsContact O-CB 3.31Å; I70-N74 WeakPolarHBondContact O-CB 3.27Å; I70-N74 PolarHBondContact O-N 2.76Å; I71-N74 PolarHBondContact O-N 3.02Å; N74-I76 PolarHBondContact O-N 3.28Å
75	S	61.8	Low	59.7	Low	12 Å²	12	57 Å²	57	8%	0.084	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76.5	125.8	-178.4	69.2	0	0	0	0	110.4	I71 T435	I71-S75 WeakPolarHBondContact O-CA 3.29Å; I71-S75 WeakPolarHBondContact O-CB 3.27Å; I71-S75 PolarHBondContact O-N 3.27Å; I71-S75 PolarHBondContact O-OG 2.99Å; S75-T435 VanDerWaalsContact OG-CG2 3.31Å; S75-T435 WeakPolarHBondContact OG-CG2 3.28Å; S75-T435 PolarHBondContact OG-OG1 3.45Å
76	I	62.9	Low	59.6	Low	124 Å²	124	62.2 Å²	62.2	64%	0.636	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-80.2	125	167.9	-58.6	170.4	0	0	0	107.2	N74 Y78	N74-I76 PolarHBondContact O-N 3.28Å; I76-Y78 PolarHBondContact O-N 2.89Å
77	N	66.9	Low	59.7	Low	94 Å²	94	62 Å²	62	50%	0.503	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-60.2	122	169.4	-72.4	-28.1	0	0	0	108.3	L433 Y434 T435	N77-L433 CarbonylContact C-O 3.4Å; N77-Y434 VanDerWaalsContact OD1-CA 3.23Å; N77-Y434 WeakPolarHBondContact OD1-CA 3.13Å; N77-Y434 WeakPolarHBondContact OD1-CB 3.49Å; N77-T435 PolarHBondContact OD1-N 2.83Å
78	Y	67.8	Low	60.2	Low	35 Å²	35	61.5 Å²	61.5	14%	0.137	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.7	-178.5	-177.4	-92.3	0	0	0	108.9	I76 C80 C88 P188 I189 I432 L433	I76-Y78 PolarHBondContact O-N 2.89Å; Y78-C80 HydrophobicContact CE1-CB 3.82Å; Y78-C88 VanDerWaalsContact OH-CB 3.3Å; Y78-C88 WeakPolarHBondContact OH-CB 3.34Å; Y78-C88 PolarHBondContact OH-SG 3.34Å; Y78-P188 PolarHBondContact OH-O 2.8Å; Y78-I189 HydrophobicContact CD1-CD1 4.28Å; Y78-I189 HydrophobicContact CD1-CG1 4.16Å; Y78-I189 HydrophobicContact CD1-CG2 4.38Å; Y78-I189 HydrophobicContact CD2-CG2 4.34Å; Y78-I189 HydrophobicContact CE1-CD1 4.35Å; Y78-I189 HydrophobicContact CE1-CG1 4.01Å; Y78-I189 HydrophobicContact CG-CG2 4.03Å; Y78-I432 CarbonylContact O-C 3.55Å; Y78-I432 WeakPolarHBondContact O-CA 3.19Å; Y78-L433 PolarHBondContact N-O 2.77Å; Y78-L433 PolarHBondContact O-N 3.25Å
79	G	70.8	Confident	60.6	Low	56 Å²	56	64.9 Å²	64.9	58%	0.577	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.5	171.4	0	0	0	0	0	108.9
80	C	68.7	Low	61.1	Low	2 Å²	2	64.8 Å²	64.8	1%	0.014	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.9	172.5	-163.2	0	0	0	0	108.9	Y78 C88 D430 I431	Y78-C80 HydrophobicContact CE1-CB 3.82Å; C80-C88 WeakPolarHBondContact CA-SG 2.99Å; C80-C88 HydrophobicContact CB-CB 4.27Å; C80-C88 WeakPolarHBondContact CB-SG 3.42Å; C80-C88 WeakPolarHBondContact SG-CB 3.31Å; C80-C88 CovalentContact SG-SG 2.01Å; C80-C88 PolarHBondContact SG-SG 2.78Å; C80-D430 WeakPolarHBondContact O-CA 3.28Å; C80-I431 WeakPolarHBondContact CA-O 3.38Å; C80-I431 HydrophobicContact CB-CB 3.94Å; C80-I431 HydrophobicContact CB-CG1 4.46Å; C80-I431 WeakPolarHBondContact CB-O 2.96Å; C80-I431 PolarHBondContact N-O 3.09Å; C80-I431 PolarHBondContact O-N 3.37Å
81	D	67.4	Low	61.7	Low	39 Å²	39	66.5 Å²	66.5	21%	0.209	35%	0.353	C	S	.	.			trans	-118.7	113.4	170.9	178.1	-11.8	0	0	0	106.5	N83 Q84	D81-N83 PolarHBondContact O-N 3.39Å; D81-N83 WeakPolarHBondContact OD1-CA 3.22Å; D81-N83 VanDerWaalsContact OD1-CB 3.25Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 PolarHBondContact OD1-N 3.18Å; D81-N83 PolarHBondContact OD1-ND2 2.94Å; D81-Q84 HydrophobicContact CB-CB 4.4Å; D81-Q84 HydrophobicContact CB-CG 4.02Å; D81-Q84 PolarHBondContact O-N 3.44Å; D81-Q84 WeakPolarHBondContact OD2-CG 3.38Å; D81-Q84 PolarHBondContact OD2-NE2 3.48Å
82	F	62.7	Low	62.2	Low	1 Å²	1	69.7 Å²	69.7	0%	0.004	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.5	-178.2	-68.3	-78.7	0	0	0	112.9	F87 Y90 F98 Y164 P166 M185 L187 I428 D429 I431	F82-F87 WeakPolarHBondContact O-CD1 3.33Å; F82-F87 WeakPolarHBondContact O-CE1 3.28Å; F82-Y90 HydrophobicContact CD1-CE1 4.47Å; F82-Y90 AromaticContact CE1-CD1 3.97Å; F82-Y90 HydrophobicContact CE1-CD1 3.97Å; F82-Y90 HydrophobicContact CE1-CE1 4.11Å; F82-F98 HydrophobicContact CD1-CE1 4.11Å; F82-Y164 WeakPolarHBondContact CB-O 3.39Å; F82-P166 HydrophobicContact CD1-CG 4.33Å; F82-P166 HydrophobicContact CD2-CG 4.15Å; F82-P166 HydrophobicContact CE1-CG 4.01Å; F82-P166 HydrophobicContact CE2-CG 3.81Å; F82-P166 HydrophobicContact CG-CG 4.4Å; F82-P166 HydrophobicContact CZ-CG 3.74Å; F82-M185 HydrophobicContact CZ-SD 4.32Å; F82-L187 HydrophobicContact CZ-CD2 4.4Å; F82-I428 HydrophobicContact CE2-CG2 4.36Å; F82-D429 WeakPolarHBondContact CD2-O 2.86Å; F82-D429 WeakPolarHBondContact CE2-O 3.48Å; F82-I431 HydrophobicContact CE2-CD1 4.35Å; F82-I431 HydrophobicContact CE2-CG1 4.36Å; F82-I431 HydrophobicContact CZ-CD1 4.47Å
83	N	58.4	Low	62.5	Low	38 Å²	38	69.4 Å²	69.4	20%	0.203	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.5	-179.2	-47.7	-61.5	0	0	0	112.1	D81 N163 Y164 D429	D81-N83 PolarHBondContact O-N 3.39Å; D81-N83 WeakPolarHBondContact OD1-CA 3.22Å; D81-N83 VanDerWaalsContact OD1-CB 3.25Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 PolarHBondContact OD1-N 3.18Å; D81-N83 PolarHBondContact OD1-ND2 2.94Å; N83-N163 VanDerWaalsContact OD1-C 3.27Å; N83-N163 WeakPolarHBondContact OD1-CA 3.39Å; N83-Y164 PolarHBondContact OD1-N 3.43Å; N83-Y164 PolarHBondContact OD1-O 3.29Å; N83-D429 PolarHBondContact ND2-OD1 3.31Å
84	Q	55.7	Low	62.6	Low	109 Å²	109	69.7 Å²	69.7	51%	0.509	38%	0.375	S	S	.	.	S	Bend	trans	-83.9	147.3	175.4	-70.5	178.9	33.1	0	0	111.7	D81 Q86 F87	D81-Q84 HydrophobicContact CB-CB 4.4Å; D81-Q84 HydrophobicContact CB-CG 4.02Å; D81-Q84 PolarHBondContact O-N 3.44Å; D81-Q84 WeakPolarHBondContact OD2-CG 3.38Å; D81-Q84 PolarHBondContact OD2-NE2 3.48Å; Q84-Q86 PolarHBondContact O-N 2.84Å; Q84-F87 PolarHBondContact O-N 2.97Å
85	L	44	Very low	63.2	Low	163 Å²	163	66.5 Å²	66.5	85%	0.853	36%	0.358	S	S	*	.	S	Bend	trans	-59.2	-19.8	178.2	-70.6	168.9	0	0	0	113.4	F87	L85-F87 VanDerWaalsContact C-N 3.33Å; L85-F87 WeakPolarHBondContact O-CD2 2.88Å; L85-F87 PolarHBondContact O-N 3.07Å
86	Q	50.2	Low	63.5	Low	169 Å²	169	66.5 Å²	66.5	79%	0.79	36%	0.356	S	S	*	.	S	Bend	trans	-90.3	67.9	172.6	-65	-175.3	-6.4	0	0	109.9	Q84 C88	Q84-Q86 PolarHBondContact O-N 2.84Å; Q86-C88 PolarHBondContact O-N 3.5Å
87	F	53.9	Low	63.5	Low	102 Å²	102	62.5 Å²	62.5	45%	0.447	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-58.7	139.8	175.3	-55.3	-87.7	0	0	0	110.5	F82 Q84 L85	F82-F87 WeakPolarHBondContact O-CD1 3.33Å; F82-F87 WeakPolarHBondContact O-CE1 3.28Å; Q84-F87 PolarHBondContact O-N 2.97Å; L85-F87 VanDerWaalsContact C-N 3.33Å; L85-F87 WeakPolarHBondContact O-CD2 2.88Å; L85-F87 PolarHBondContact O-N 3.07Å
88	C	64.1	Low	63.3	Low	13 Å²	13	61.3 Å²	61.3	9%	0.088	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-60.8	139.3	165.5	-55.3	0	0	0	0	109.2	Y78 C80 Q86 Y90 L187	Y78-C88 VanDerWaalsContact OH-CB 3.3Å; Y78-C88 WeakPolarHBondContact OH-CB 3.34Å; Y78-C88 PolarHBondContact OH-SG 3.34Å; C80-C88 WeakPolarHBondContact CA-SG 2.99Å; C80-C88 HydrophobicContact CB-CB 4.27Å; C80-C88 WeakPolarHBondContact CB-SG 3.42Å; C80-C88 WeakPolarHBondContact SG-CB 3.31Å; C80-C88 CovalentContact SG-SG 2.01Å; C80-C88 PolarHBondContact SG-SG 2.78Å; Q86-C88 PolarHBondContact O-N 3.5Å; C88-Y90 WeakPolarHBondContact O-CD1 3.15Å; C88-Y90 WeakPolarHBondContact O-CE1 3.38Å; C88-L187 HydrophobicContact CB-CD2 4.16Å
89	S	64.4	Low	62.9	Low	84 Å²	84	62.8 Å²	62.8	59%	0.587	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-64.3	137.7	161.3	45.2	0	0	0	0	107.9	P188	S89-P188 WeakPolarHBondContact O-CD 3.41Å; S89-P188 WeakPolarHBondContact OG-CG 3.32Å
90	Y	69.7	Low	62	Low	72 Å²	72	63 Å²	63	28%	0.282	33%	0.326	S	S	.	.			trans	-147	148.4	174.1	54.4	-91.8	0	0	0	109.3	F82 C88 H92 F98 M185 K186	F82-Y90 HydrophobicContact CD1-CE1 4.47Å; F82-Y90 AromaticContact CE1-CD1 3.97Å; F82-Y90 HydrophobicContact CE1-CD1 3.97Å; F82-Y90 HydrophobicContact CE1-CE1 4.11Å; C88-Y90 WeakPolarHBondContact O-CD1 3.15Å; C88-Y90 WeakPolarHBondContact O-CE1 3.38Å; Y90-H92 HydrophobicContact CD2-CB 4.37Å; Y90-H92 AromaticContact CD2-CD2 3.6Å; Y90-H92 AromaticContact CE2-CD2 3.4Å; Y90-H92 VanDerWaalsContact CE2-CD2 3.4Å; Y90-H92 WeakPolarHBondContact CE2-CD2 3.32Å; Y90-F98 AromaticContact CE1-CZ 3.97Å; Y90-F98 HydrophobicContact CE1-CZ 3.97Å; Y90-F98 AromaticContact CE2-CE2 3.94Å; Y90-F98 HydrophobicContact CE2-CE2 3.94Å; Y90-F98 AromaticContact CE2-CZ 3.77Å; Y90-F98 HydrophobicContact CE2-CZ 3.77Å; Y90-F98 AromaticContact CZ-CE2 3.71Å; Y90-F98 AromaticContact CZ-CZ 3.3Å; Y90-F98 WeakPolarHBondContact OH-CE2 3.29Å; Y90-F98 WeakPolarHBondContact OH-CZ 3.34Å; Y90-M185 HydrophobicContact CD2-CE 3.9Å; Y90-M185 HydrophobicContact CE2-CE 4.37Å; Y90-M185 HydrophobicContact CG-CE 4.33Å; Y90-K186 CarbonylContact C-O 3.6Å; Y90-K186 VanDerWaalsContact CA-O 3.27Å; Y90-K186 WeakPolarHBondContact CA-O 3.36Å
91	E	68.3	Low	61.1	Low	88 Å²	88	63.8 Å²	63.8	41%	0.411	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.6	169.3	-174	-158.6	141.3	0	0	107.3	Y184 M185 K186	E91-Y184 HydrophobicContact CG-CE2 4.27Å; E91-Y184 WeakPolarHBondContact OE1-CE2 3.14Å; E91-Y184 PolarHBondContact OE1-OH 2.95Å; E91-M185 CarbonylContact O-C 3.47Å; E91-M185 WeakPolarHBondContact O-CA 3.2Å; E91-K186 HydrophobicContact CB-CB 4.32Å; E91-K186 PolarHBondContact N-O 2.85Å; E91-K186 PolarHBondContact O-N 2.91Å; E91-K186 IonicContact OE1-NZ 3.45Å; E91-K186 PolarHBondContact OE1-NZ 3.13Å; E91-K186 IonicContact OE2-NZ 2.61Å
92	H	69.2	Low	60.1	Low	72 Å²	72	67.2 Å²	67.2	33%	0.333	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.1	-179.1	67.8	91.7	0	0	0	111.6	Y90 W96 Y184 M185	Y90-H92 HydrophobicContact CD2-CB 4.37Å; Y90-H92 AromaticContact CD2-CD2 3.6Å; Y90-H92 AromaticContact CE2-CD2 3.4Å; Y90-H92 VanDerWaalsContact CE2-CD2 3.4Å; Y90-H92 WeakPolarHBondContact CE2-CD2 3.32Å; H92-W96 HydrophobicContact CB-CB 4.24Å; H92-W96 HydrophobicContact CB-CG 4.14Å; H92-Y184 WeakPolarHBondContact CA-O 3.35Å; H92-M185 HydrophobicContact CB-CB 4.48Å; H92-M185 HydrophobicContact CB-CE 4.29Å
93	S	68.1	Low	59.2	Low	14 Å²	14	72.4 Å²	72.4	10%	0.098	38%	0.381	C	S	.	.			trans	-65	159.3	166.3	47	0	0	0	0	111.4	D95 W96 S183 Y184	S93-D95 PolarHBondContact O-N 2.88Å; S93-W96 PolarHBondContact O-N 2.77Å; S93-W96 VanDerWaalsContact OG-CD1 3.27Å; S93-W96 PolarHBondContact OG-NE1 2.77Å; S93-S183 WeakPolarHBondContact OG-CA 3.39Å; S93-Y184 PolarHBondContact N-O 3.44Å; S93-Y184 PolarHBondContact OG-N 2.83Å; S93-Y184 PolarHBondContact OG-O 3.26Å
94	S	64.2	Low	58.7	Low	101 Å²	101	74.6 Å²	74.6	71%	0.706	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.1	176.9	48.3	0	0	0	0	114.3	W96	S94-W96 PolarHBondContact O-N 3.37Å
95	D	68.1	Low	58.4	Low	9 Å²	9	73.1 Å²	73.1	5%	0.048	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	21.2	-174.5	-52.6	-26.8	0	0	0	112.1	S93 S168 T169 T171 S183	S93-D95 PolarHBondContact O-N 2.88Å; D95-S168 CarbonylContact O-C 3.56Å; D95-S168 VanDerWaalsContact O-CA 3.27Å; D95-S168 WeakPolarHBondContact O-CA 3.39Å; D95-T169 PolarHBondContact O-N 2.92Å; D95-T169 PolarHBondContact O-OG1 3.24Å; D95-T171 WeakPolarHBondContact OD1-CB 3.31Å; D95-T171 WeakPolarHBondContact OD1-CG2 3.37Å; D95-T171 PolarHBondContact OD1-OG1 2.8Å; D95-S183 VanDerWaalsContact CB-OG 3.31Å; D95-S183 WeakPolarHBondContact CB-OG 3.5Å
96	W	67.8	Low	58.5	Low	12 Å²	12	67 Å²	67	5%	0.045	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.2	173.6	-71.1	81.1	0	0	0	110.1	H92 S93 S94 P166 C167 Y184 M185 T422 I428	H92-W96 HydrophobicContact CB-CB 4.24Å; H92-W96 HydrophobicContact CB-CG 4.14Å; S93-W96 PolarHBondContact O-N 2.77Å; S93-W96 VanDerWaalsContact OG-CD1 3.27Å; S93-W96 PolarHBondContact OG-NE1 2.77Å; S94-W96 PolarHBondContact O-N 3.37Å; W96-P166 HydrophobicContact CE3-CB 3.78Å; W96-P166 HydrophobicContact CZ3-CB 4.12Å; W96-C167 WeakPolarHBondContact CA-O 3.4Å; W96-Y184 VanDerWaalsContact NE1-C 3.34Å; W96-Y184 PolarHBondContact NE1-O 2.75Å; W96-M185 HydrophobicContact CD2-CB 4.46Å; W96-M185 HydrophobicContact CD2-CE 4.19Å; W96-M185 HydrophobicContact CE3-CE 4.03Å; W96-M185 HydrophobicContact CH2-CB 4.35Å; W96-M185 HydrophobicContact CZ2-CB 3.78Å; W96-M185 HydrophobicContact CZ3-CE 4.41Å; W96-T422 HydrophobicContact CH2-CG2 3.68Å; W96-T422 WeakPolarHBondContact CH2-OG1 3.13Å; W96-T422 HydrophobicContact CZ2-CG2 3.84Å; W96-T422 WeakPolarHBondContact CZ2-OG1 3.45Å; W96-I428 HydrophobicContact CH2-CD1 3.6Å; W96-I428 HydrophobicContact CH2-CG1 4.29Å; W96-I428 HydrophobicContact CZ3-CD1 4.04Å; W96-I428 HydrophobicContact CZ3-CG1 4.33Å
97	S	62.4	Low	58.6	Low	39 Å²	39	64.5 Å²	64.5	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.4	174.5	70.4	0	0	0	0	110.1	C167 T169	S97-C167 PolarHBondContact N-O 3.38Å; S97-C167 PolarHBondContact O-N 2.82Å; S97-T169 WeakPolarHBondContact OG-CG2 3.2Å
98	F	62.4	Low	58.5	Low	69 Å²	69	62.8 Å²	62.8	30%	0.303	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.6	171.4	-75.5	-89.5	0	0	0	109.1	F82 Y90 Y164 F165 P166	F82-F98 HydrophobicContact CD1-CE1 4.11Å; Y90-F98 AromaticContact CE1-CZ 3.97Å; Y90-F98 HydrophobicContact CE1-CZ 3.97Å; Y90-F98 AromaticContact CE2-CE2 3.94Å; Y90-F98 HydrophobicContact CE2-CE2 3.94Å; Y90-F98 AromaticContact CE2-CZ 3.77Å; Y90-F98 HydrophobicContact CE2-CZ 3.77Å; Y90-F98 AromaticContact CZ-CE2 3.71Å; Y90-F98 AromaticContact CZ-CZ 3.3Å; Y90-F98 WeakPolarHBondContact OH-CE2 3.29Å; Y90-F98 WeakPolarHBondContact OH-CZ 3.34Å; F98-Y164 HydrophobicContact CB-CD1 4.14Å; F98-F165 WeakPolarHBondContact CA-O 3.35Å; F98-P166 HydrophobicContact CD1-CB 4.33Å; F98-P166 HydrophobicContact CE1-CB 3.89Å; F98-P166 HydrophobicContact CE1-CG 4.15Å; F98-P166 HydrophobicContact CZ-CB 3.98Å; F98-P166 HydrophobicContact CZ-CG 4.49Å
99	Q	59.4	Low	57.9	Low	67 Å²	67	65.9 Å²	65.9	31%	0.313	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.9	177.6	-61.6	-174.8	-0.6	0	0	109.5	F165 C167	Q99-F165 HydrophobicContact CB-CE2 4.04Å; Q99-F165 PolarHBondContact N-O 2.59Å; Q99-F165 PolarHBondContact O-N 3.16Å; Q99-F165 VanDerWaalsContact O-N 3.11Å; Q99-C167 HydrophobicContact CG-CB 4.14Å
100	L	52.9	Low	57.9	Low	61 Å²	61	66.7 Å²	66.7	32%	0.319	35%	0.345	S	S	.	.			trans	-85.8	141	156.8	-103.2	89.9	0	0	0	107.1	L102 F105 N163 Y164	L100-L102 PolarHBondContact O-N 3.45Å; L100-L102 VanDerWaalsContact O-N 3.1Å; L100-F105 HydrophobicContact CD2-CB 3.94Å; L100-F105 HydrophobicContact CD2-CD2 3.66Å; L100-F105 HydrophobicContact CD2-CG 4.2Å; L100-N163 WeakPolarHBondContact CG-O 3.35Å; L100-Y164 HydrophobicContact CD1-CD1 3.56Å; L100-Y164 HydrophobicContact CD1-CE1 3.25Å; L100-Y164 HydrophobicContact CD1-CG 4.34Å
101	S	50.5	Low	57.5	Low	18 Å²	18	69 Å²	69	13%	0.126	36%	0.359	C	S	.	.			trans	-63.9	118.8	167.7	70.5	0	0	0	0	108	T103 E104 F105 F165	S101-T103 PolarHBondContact O-N 3.03Å; S101-E104 PolarHBondContact O-N 3.41Å; S101-E104 WeakPolarHBondContact OG-CB 3.49Å; S101-E104 WeakPolarHBondContact OG-CG 3.32Å; S101-E104 PolarHBondContact OG-N 3.46Å; S101-E104 PolarHBondContact OG-OE2 2.78Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 2.97Å; S101-F165 VanDerWaalsContact N-CE1 3.27Å; S101-F165 VanDerWaalsContact N-CZ 3.33Å
102	L	44.9	Very low	57	Low	110 Å²	110	65.9 Å²	65.9	58%	0.576	35%	0.348	S	S	*	.	H	α-helix	trans	-57.3	-37.2	-175.8	-167.9	80	0	0	0	111.1	L100 F105 A106 Y886	L100-L102 PolarHBondContact O-N 3.45Å; L100-L102 VanDerWaalsContact O-N 3.1Å; L102-F105 PolarHBondContact O-N 3.34Å; L102-A106 VanDerWaalsContact O-CB 3.31Å; L102-A106 WeakPolarHBondContact O-CB 3.48Å; L102-A106 PolarHBondContact O-N 3.33Å; L102-Y886 VanDerWaalsContact CD2-OH 3.28Å; L102-Y886 WeakPolarHBondContact CD2-OH 3.16Å
103	T	44.7	Very low	56.7	Low	111 Å²	111	63.6 Å²	63.6	68%	0.681	34%	0.341	S	S	*	.	H	α-helix	trans	-64.7	-45.9	178.9	-11.9	0	0	0	0	112	S101 A106 L107	S101-T103 PolarHBondContact O-N 3.03Å; T103-A106 PolarHBondContact O-N 3.26Å; T103-L107 WeakPolarHBondContact O-CB 3.01Å; T103-L107 PolarHBondContact O-N 3.02Å
104	E	48	Very low	56.8	Low	83 Å²	83	67.4 Å²	67.4	39%	0.388	36%	0.358	S	S	.	.	H	α-helix	trans	-73.2	-35.3	177.2	-62.8	176.4	149.8	0	0	111.4	S101 A106 L107 K108 N163	S101-E104 PolarHBondContact O-N 3.41Å; S101-E104 WeakPolarHBondContact OG-CB 3.49Å; S101-E104 WeakPolarHBondContact OG-CG 3.32Å; S101-E104 PolarHBondContact OG-N 3.46Å; S101-E104 PolarHBondContact OG-OE2 2.78Å; E104-A106 VanDerWaalsContact C-N 3.33Å; E104-A106 PolarHBondContact O-N 3.28Å; E104-L107 PolarHBondContact O-N 3.38Å; E104-K108 WeakPolarHBondContact O-CB 3.44Å; E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 2.64Å; E104-N163 PolarHBondContact OE2-ND2 3.32Å
105	F	48.1	Very low	56.8	Low	79 Å²	79	66.3 Å²	66.3	35%	0.346	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-48.5	172.5	177.9	-105.1	0	0	0	110.8	L100 S101 L102 L107 K108 M109	L100-F105 HydrophobicContact CD2-CB 3.94Å; L100-F105 HydrophobicContact CD2-CD2 3.66Å; L100-F105 HydrophobicContact CD2-CG 4.2Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 2.97Å; L102-F105 PolarHBondContact O-N 3.34Å; F105-L107 PolarHBondContact O-N 2.77Å; F105-K108 PolarHBondContact O-N 3.42Å; F105-M109 HydrophobicContact CD1-CG 4.21Å; F105-M109 HydrophobicContact CD2-CG 4.18Å; F105-M109 HydrophobicContact CE1-CE 4.41Å; F105-M109 HydrophobicContact CE1-CG 3.81Å; F105-M109 HydrophobicContact CE2-CG 3.79Å; F105-M109 HydrophobicContact CE2-SD 4.2Å; F105-M109 HydrophobicContact CG-CG 4.4Å; F105-M109 HydrophobicContact CZ-CE 3.86Å; F105-M109 HydrophobicContact CZ-CG 3.59Å; F105-M109 HydrophobicContact CZ-SD 4.02Å; F105-M109 VanDerWaalsContact O-CB 3.3Å; F105-M109 WeakPolarHBondContact O-CB 3.41Å; F105-M109 VanDerWaalsContact O-CG 3.26Å; F105-M109 WeakPolarHBondContact O-CG 3.31Å; F105-M109 PolarHBondContact O-N 3.06Å
106	A	48	Very low	56.6	Low	33 Å²	33	66.9 Å²	66.9	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-44	177.3	0	0	0	0	0	111.9	L102 T103 E104 M109 K110	L102-A106 VanDerWaalsContact O-CB 3.31Å; L102-A106 WeakPolarHBondContact O-CB 3.48Å; L102-A106 PolarHBondContact O-N 3.33Å; T103-A106 PolarHBondContact O-N 3.26Å; E104-A106 VanDerWaalsContact C-N 3.33Å; E104-A106 PolarHBondContact O-N 3.28Å; A106-M109 PolarHBondContact O-N 2.92Å; A106-K110 WeakPolarHBondContact O-CB 3.46Å; A106-K110 PolarHBondContact O-N 3.47Å
107	L	51.2	Low	56.6	Low	118 Å²	118	68.9 Å²	68.9	62%	0.618	37%	0.372	S	S	*	.	H	α-helix	trans	-63	-44.3	178.1	-123.1	149.2	0	0	0	112	T103 E104 F105 K110 E111	T103-L107 WeakPolarHBondContact O-CB 3.01Å; T103-L107 PolarHBondContact O-N 3.02Å; E104-L107 PolarHBondContact O-N 3.38Å; F105-L107 PolarHBondContact O-N 2.77Å; L107-K110 WeakPolarHBondContact O-CB 3.45Å; L107-K110 PolarHBondContact O-N 2.71Å; L107-E111 PolarHBondContact O-N 3.33Å
108	K	51.1	Low	57	Low	65 Å²	65	73.1 Å²	73.1	28%	0.283	39%	0.385	S	S	.	.	H	α-helix	trans	-71.6	-35.4	177.7	-69	-163.8	-176	178.6	0	112.4	E104 F105 K110 E111 A112 P160	E104-K108 WeakPolarHBondContact O-CB 3.44Å; E104-K108 WeakPolarHBondContact O-CG 3.32Å; E104-K108 PolarHBondContact O-N 2.64Å; F105-K108 PolarHBondContact O-N 3.42Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K108-E111 PolarHBondContact O-N 3.49Å; K108-A112 VanDerWaalsContact O-CB 3.32Å; K108-A112 WeakPolarHBondContact O-CB 3.19Å; K108-A112 PolarHBondContact O-N 3.34Å; K108-P160 HydrophobicContact CB-CB 4.26Å; K108-P160 HydrophobicContact CB-CG 3.87Å; K108-P160 HydrophobicContact CD-CB 3.39Å; K108-P160 HydrophobicContact CD-CG 3.84Å; K108-P160 HydrophobicContact CG-CB 4.44Å
109	M	52.9	Low	57.3	Low	79 Å²	79	72.3 Å²	72.3	39%	0.389	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-40.6	171.7	-78.6	-69.3	-97.8	0	0	111	F105 A106 A112 A113	F105-M109 HydrophobicContact CD1-CG 4.21Å; F105-M109 HydrophobicContact CD2-CG 4.18Å; F105-M109 HydrophobicContact CE1-CE 4.41Å; F105-M109 HydrophobicContact CE1-CG 3.81Å; F105-M109 HydrophobicContact CE2-CG 3.79Å; F105-M109 HydrophobicContact CE2-SD 4.2Å; F105-M109 HydrophobicContact CG-CG 4.4Å; F105-M109 HydrophobicContact CZ-CE 3.86Å; F105-M109 HydrophobicContact CZ-CG 3.59Å; F105-M109 HydrophobicContact CZ-SD 4.02Å; F105-M109 VanDerWaalsContact O-CB 3.3Å; F105-M109 WeakPolarHBondContact O-CB 3.41Å; F105-M109 VanDerWaalsContact O-CG 3.26Å; F105-M109 WeakPolarHBondContact O-CG 3.31Å; F105-M109 PolarHBondContact O-N 3.06Å; A106-M109 PolarHBondContact O-N 2.92Å; M109-A112 PolarHBondContact O-N 2.77Å; M109-A113 WeakPolarHBondContact O-CB 3.13Å; M109-A113 PolarHBondContact O-N 3.48Å
110	K	64.5	Low	57.7	Low	101 Å²	101	72.2 Å²	72.2	44%	0.439	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-47.7	173	-178.5	175.9	179.3	170.1	0	111.7	A106 L107 K108 A112 A113 E114	A106-K110 WeakPolarHBondContact O-CB 3.46Å; A106-K110 PolarHBondContact O-N 3.47Å; L107-K110 WeakPolarHBondContact O-CB 3.45Å; L107-K110 PolarHBondContact O-N 2.71Å; K108-K110 VanDerWaalsContact C-N 3.32Å; K110-A112 VanDerWaalsContact C-N 3.34Å; K110-A112 PolarHBondContact O-N 2.68Å; K110-A113 PolarHBondContact O-N 3.42Å; K110-E114 VanDerWaalsContact CE-OE1 3.26Å; K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 WeakPolarHBondContact O-CG 3.14Å; K110-E114 PolarHBondContact O-N 3Å
111	E	61.7	Low	58.4	Low	121 Å²	121	74.4 Å²	74.4	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-62.3	-40.5	177.9	-171.7	177	-168.3	0	0	112.3	L107 K108 E114 T115	L107-E111 PolarHBondContact O-N 3.33Å; K108-E111 PolarHBondContact O-N 3.49Å; E111-E114 PolarHBondContact O-N 3.39Å; E111-T115 WeakPolarHBondContact O-CB 3.45Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 2.92Å
112	A	55.8	Low	59.5	Low	22 Å²	22	78.1 Å²	78.1	18%	0.182	42%	0.417	C	S	.	.	H	α-helix	trans	-63.8	-43.4	174.8	0	0	0	0	0	111.7	K108 M109 K110 T115 A116 V157	K108-A112 VanDerWaalsContact O-CB 3.32Å; K108-A112 WeakPolarHBondContact O-CB 3.19Å; K108-A112 PolarHBondContact O-N 3.34Å; M109-A112 PolarHBondContact O-N 2.77Å; K110-A112 VanDerWaalsContact C-N 3.34Å; K110-A112 PolarHBondContact O-N 2.68Å; A112-T115 PolarHBondContact O-N 2.82Å; A112-A116 WeakPolarHBondContact O-CB 3.42Å; A112-A116 PolarHBondContact O-N 2.98Å; A112-V157 HydrophobicContact CB-CG1 4.13Å
113	A	63.5	Low	60.7	Low	24 Å²	24	78 Å²	78	20%	0.198	41%	0.412	C	S	.	.	H	α-helix	trans	-64.7	-42.9	176.2	0	0	0	0	0	112	M109 K110 T115 A116 A117 V879	M109-A113 WeakPolarHBondContact O-CB 3.13Å; M109-A113 PolarHBondContact O-N 3.48Å; K110-A113 PolarHBondContact O-N 3.42Å; A113-T115 VanDerWaalsContact C-N 3.31Å; A113-T115 PolarHBondContact O-N 2.66Å; A113-A116 PolarHBondContact O-N 3.31Å; A113-A117 WeakPolarHBondContact O-CB 3.45Å; A113-A117 PolarHBondContact O-N 2.76Å; A113-V879 HydrophobicContact CB-CG2 4.41Å
114	E	70.1	Confident	61.9	Low	94 Å²	94	77.5 Å²	77.5	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-39	174.9	-75.4	-178.4	-168.3	0	0	111.9	K110 E111 A117 K118	K110-E114 VanDerWaalsContact CE-OE1 3.26Å; K110-E114 WeakPolarHBondContact CE-OE1 3.42Å; K110-E114 WeakPolarHBondContact O-CG 3.14Å; K110-E114 PolarHBondContact O-N 3Å; E111-E114 PolarHBondContact O-N 3.39Å; E114-A117 PolarHBondContact O-N 3.18Å; E114-K118 WeakPolarHBondContact O-CG 3.31Å; E114-K118 PolarHBondContact O-N 3.3Å
115	T	64.2	Low	63	Low	77 Å²	77	76.9 Å²	76.9	47%	0.472	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-45.6	176.7	-57.5	0	0	0	0	110.9	E111 A112 A113 A117 K118 V119	E111-T115 WeakPolarHBondContact O-CB 3.45Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 2.92Å; A112-T115 PolarHBondContact O-N 2.82Å; A113-T115 VanDerWaalsContact C-N 3.31Å; A113-T115 PolarHBondContact O-N 2.66Å; T115-A117 VanDerWaalsContact C-N 3.33Å; T115-A117 PolarHBondContact O-N 3.41Å; T115-K118 PolarHBondContact O-N 2.73Å; T115-V119 WeakPolarHBondContact O-CG2 3.31Å; T115-V119 PolarHBondContact O-N 2.73Å
116	A	63.8	Low	64	Low	22 Å²	22	80.2 Å²	80.2	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-59.4	-44.1	174.7	0	0	0	0	0	111.5	A112 A113 K118 V119 V120 V157	A112-A116 WeakPolarHBondContact O-CB 3.42Å; A112-A116 PolarHBondContact O-N 2.98Å; A113-A116 PolarHBondContact O-N 3.31Å; A116-K118 PolarHBondContact O-N 3.13Å; A116-V119 PolarHBondContact O-N 2.81Å; A116-V120 WeakPolarHBondContact O-CG2 3.31Å; A116-V120 PolarHBondContact O-N 2.7Å; A116-V157 HydrophobicContact CB-CG2 4.48Å
117	A	68.9	Low	64.7	Low	53 Å²	53	82.8 Å²	82.8	44%	0.438	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-43.2	176.4	0	0	0	0	0	112.3	A113 E114 T115 V119 V120 Q121	A113-A117 WeakPolarHBondContact O-CB 3.45Å; A113-A117 PolarHBondContact O-N 2.76Å; E114-A117 PolarHBondContact O-N 3.18Å; T115-A117 VanDerWaalsContact C-N 3.33Å; T115-A117 PolarHBondContact O-N 3.41Å; A117-V119 VanDerWaalsContact C-N 3.35Å; A117-V119 PolarHBondContact O-N 3.28Å; A117-V120 PolarHBondContact O-N 3.3Å; A117-Q121 WeakPolarHBondContact O-CB 3.21Å; A117-Q121 PolarHBondContact O-N 3.15Å
118	K	70.2	Confident	65.1	Low	129 Å²	129	80.2 Å²	80.2	56%	0.561	42%	0.416	S	S	*	.	H	α-helix	trans	-63.1	-38.1	175.4	-77.4	172.6	-176.9	163.9	0	112.6	E114 T115 A116 Q121 N122	E114-K118 WeakPolarHBondContact O-CG 3.31Å; E114-K118 PolarHBondContact O-N 3.3Å; T115-K118 PolarHBondContact O-N 2.73Å; A116-K118 PolarHBondContact O-N 3.13Å; K118-Q121 PolarHBondContact O-N 2.68Å; K118-N122 WeakPolarHBondContact O-CB 3.42Å; K118-N122 PolarHBondContact O-N 3.47Å; K118-N122 PolarHBondContact O-ND2 2.96Å
119	V	67.8	Low	65.5	Low	51 Å²	51	83.5 Å²	83.5	31%	0.309	43%	0.432	S	S	.	.	H	α-helix	trans	-64.4	-44.1	177	172	0	0	0	0	110.9	T115 A116 A117 N122 F123 F154	T115-V119 WeakPolarHBondContact O-CG2 3.31Å; T115-V119 PolarHBondContact O-N 2.73Å; A116-V119 PolarHBondContact O-N 2.81Å; A117-V119 VanDerWaalsContact C-N 3.35Å; A117-V119 PolarHBondContact O-N 3.28Å; V119-N122 PolarHBondContact O-N 3.4Å; V119-F123 PolarHBondContact O-N 2.82Å; V119-F154 HydrophobicContact CG1-CD1 4.23Å
120	V	68.7	Low	65.6	Low	65 Å²	65	85.1 Å²	85.1	39%	0.394	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-45	175.9	177.9	0	0	0	0	110.9	A116 A117 N122 F123 Q124	A116-V120 WeakPolarHBondContact O-CG2 3.31Å; A116-V120 PolarHBondContact O-N 2.7Å; A117-V120 PolarHBondContact O-N 3.3Å; V120-N122 PolarHBondContact O-N 3.46Å; V120-F123 WeakPolarHBondContact O-CB 3.32Å; V120-F123 PolarHBondContact O-N 3.5Å; V120-F123 VanDerWaalsContact O-N 3.1Å; V120-Q124 PolarHBondContact O-N 3.49Å
121	Q	68.4	Low	65.1	Low	107 Å²	107	86 Å²	86	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-60.4	-45.7	177.8	-170.4	63	41.8	0	0	111.9	A117 K118 F123 Q124 D125	A117-Q121 WeakPolarHBondContact O-CB 3.21Å; A117-Q121 PolarHBondContact O-N 3.15Å; K118-Q121 PolarHBondContact O-N 2.68Å; Q121-F123 PolarHBondContact O-N 3.23Å; Q121-Q124 WeakPolarHBondContact O-CB 3.32Å; Q121-Q124 PolarHBondContact O-N 2.94Å; Q121-Q124 VanDerWaalsContact O-N 3.15Å; Q121-D125 PolarHBondContact NE2-OD1 2.78Å; Q121-D125 VanDerWaalsContact NE2-OD1 3.14Å; Q121-D125 VanDerWaalsContact O-CG 3.26Å; Q121-D125 PolarHBondContact O-N 2.91Å
122	N	72.8	Confident	64.7	Low	97 Å²	97	86.3 Å²	86.3	52%	0.519	46%	0.457	S	S	.	.	H	α-helix	trans	-61.3	-32.3	176.5	-75.9	-26.4	0	0	0	112.5	K118 V119 V120 K126	K118-N122 WeakPolarHBondContact O-CB 3.42Å; K118-N122 PolarHBondContact O-N 3.47Å; K118-N122 PolarHBondContact O-ND2 2.96Å; V119-N122 PolarHBondContact O-N 3.4Å; V120-N122 PolarHBondContact O-N 3.46Å; N122-K126 WeakPolarHBondContact O-CB 3.37Å; N122-K126 WeakPolarHBondContact O-CG 3.41Å; N122-K126 PolarHBondContact O-N 2.92Å; N122-K126 VanDerWaalsContact O-N 3.1Å
123	F	69.9	Low	64.5	Low	108 Å²	108	92 Å²	92	47%	0.474	49%	0.485	S	S	.	.	H	α-helix	trans	-69.9	-44.7	174.7	-170.9	-101	0	0	0	111.4	V119 V120 Q121 D125 K126 L127	V119-F123 PolarHBondContact O-N 2.82Å; V120-F123 WeakPolarHBondContact O-CB 3.32Å; V120-F123 PolarHBondContact O-N 3.5Å; V120-F123 VanDerWaalsContact O-N 3.1Å; Q121-F123 PolarHBondContact O-N 3.23Å; F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 2.65Å; F123-K126 PolarHBondContact O-N 2.68Å; F123-L127 HydrophobicContact CD1-CD1 3.66Å; F123-L127 HydrophobicContact CD1-CG 4.41Å; F123-L127 HydrophobicContact CE1-CD1 3.38Å; F123-L127 HydrophobicContact CE1-CG 4.17Å; F123-L127 HydrophobicContact CZ-CD1 4.14Å; F123-L127 PolarHBondContact O-N 3.42Å
124	Q	69.7	Low	63.7	Low	100 Å²	100	93.9 Å²	93.9	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-58.6	-43.1	175.1	-151.6	86.4	1	0	0	111.8	V120 Q121 L127 S128	V120-Q124 PolarHBondContact O-N 3.49Å; Q121-Q124 WeakPolarHBondContact O-CB 3.32Å; Q121-Q124 PolarHBondContact O-N 2.94Å; Q121-Q124 VanDerWaalsContact O-N 3.15Å; Q124-L127 PolarHBondContact O-N 3.27Å; Q124-S128 WeakPolarHBondContact O-CB 3.22Å; Q124-S128 PolarHBondContact O-N 2.71Å; Q124-S128 PolarHBondContact O-OG 3.44Å
125	D	72	Confident	62.9	Low	69 Å²	69	95.7 Å²	95.7	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-68.5	-40.6	-179.4	-67.8	-13.4	0	0	0	111.1	Q121 F123 S128 Q129	Q121-D125 PolarHBondContact NE2-OD1 2.78Å; Q121-D125 VanDerWaalsContact NE2-OD1 3.14Å; Q121-D125 VanDerWaalsContact O-CG 3.26Å; Q121-D125 PolarHBondContact O-N 2.91Å; F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 2.65Å; D125-S128 PolarHBondContact O-N 3.35Å; D125-Q129 WeakPolarHBondContact O-CG 3.17Å; D125-Q129 PolarHBondContact O-N 3.08Å
126	K	69	Low	62.1	Low	149 Å²	149	99.5 Å²	99.5	65%	0.648	52%	0.522	S	S	*	.	H	α-helix	trans	-63.2	-41.4	173.8	-82.3	-177.3	178.6	-179.8	0	112.4	N122 F123 S128 Q129 N130	N122-K126 WeakPolarHBondContact O-CB 3.37Å; N122-K126 WeakPolarHBondContact O-CG 3.41Å; N122-K126 PolarHBondContact O-N 2.92Å; N122-K126 VanDerWaalsContact O-N 3.1Å; F123-K126 PolarHBondContact O-N 2.68Å; K126-S128 VanDerWaalsContact C-N 3.33Å; K126-Q129 PolarHBondContact O-N 3.39Å; K126-N130 PolarHBondContact O-N 3.48Å; K126-N130 VanDerWaalsContact O-N 3.09Å
127	L	62.7	Low	61.1	Low	87 Å²	87	102.6 Å²	102.6	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-62	-42.4	174.4	-79.2	168.2	0	0	0	111.4	F123 Q124 N130 N131	F123-L127 HydrophobicContact CD1-CD1 3.66Å; F123-L127 HydrophobicContact CD1-CG 4.41Å; F123-L127 HydrophobicContact CE1-CD1 3.38Å; F123-L127 HydrophobicContact CE1-CG 4.17Å; F123-L127 HydrophobicContact CZ-CD1 4.14Å; F123-L127 PolarHBondContact O-N 3.42Å; Q124-L127 PolarHBondContact O-N 3.27Å; L127-N130 PolarHBondContact O-N 3.31Å; L127-N131 PolarHBondContact O-N 2.92Å
128	S	59.8	Low	60	Low	64 Å²	64	106.4 Å²	106.4	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-66.8	-40.3	179.3	-58.5	0	0	0	0	112.3	Q124 D125 K126 N131 N132	Q124-S128 WeakPolarHBondContact O-CB 3.22Å; Q124-S128 PolarHBondContact O-N 2.71Å; Q124-S128 PolarHBondContact O-OG 3.44Å; D125-S128 PolarHBondContact O-N 3.35Å; K126-S128 VanDerWaalsContact C-N 3.33Å; S128-N131 PolarHBondContact O-N 2.88Å; S128-N132 PolarHBondContact O-N 2.91Å
129	Q	59.2	Low	59	Low	135 Å²	135	107.4 Å²	107.4	63%	0.631	56%	0.563	S	S	*	*	H	α-helix	trans	-66	-36.4	175.8	-74.5	179.5	2.9	0	0	112.6	D125 K126 N131 N132	D125-Q129 WeakPolarHBondContact O-CG 3.17Å; D125-Q129 PolarHBondContact O-N 3.08Å; K126-Q129 PolarHBondContact O-N 3.39Å; Q129-N131 VanDerWaalsContact C-N 3.29Å; Q129-N131 PolarHBondContact O-N 3.39Å; Q129-N132 PolarHBondContact O-N 2.66Å
130	N	54.7	Low	57.9	Low	112 Å²	112	110.1 Å²	110.1	60%	0.599	58%	0.58	S	S	*	*	H	α-helix	trans	-67.3	-30.6	177.7	-116.2	-3.2	0	0	0	112.8	K126 L127	K126-N130 PolarHBondContact O-N 3.48Å; K126-N130 VanDerWaalsContact O-N 3.09Å; L127-N130 PolarHBondContact O-N 3.31Å
131	N	53.4	Low	56.7	Low	120 Å²	120	110.4 Å²	110.4	64%	0.642	58%	0.579	S	S	*	*	H	α-helix	trans	-72.8	-33.1	177	-80.9	-18.4	0	0	0	112.8	L127 S128 Q129 N133 N134	L127-N131 PolarHBondContact O-N 2.92Å; S128-N131 PolarHBondContact O-N 2.88Å; Q129-N131 VanDerWaalsContact C-N 3.29Å; Q129-N131 PolarHBondContact O-N 3.39Å; N131-N133 VanDerWaalsContact C-N 3.34Å; N131-N133 PolarHBondContact O-N 3.37Å; N131-N134 PolarHBondContact O-N 3.34Å
132	N	53.8	Low	55.3	Low	127 Å²	127	113.9 Å²	113.9	68%	0.679	59%	0.592	S	S	*	*	H	α-helix	trans	-73.6	-23.1	-177.6	-78.2	-14.2	0	0	0	114.1	S128 Q129	S128-N132 PolarHBondContact O-N 2.91Å; Q129-N132 PolarHBondContact O-N 2.66Å
133	N	52.5	Low	53.8	Low	143 Å²	143	115.6 Å²	115.6	77%	0.765	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-5	178.6	-79.7	-11.5	0	0	0	114.4	N131	N131-N133 VanDerWaalsContact C-N 3.34Å; N131-N133 PolarHBondContact O-N 3.37Å
134	N	46.8	Very low	52.2	Low	63 Å²	63	117.1 Å²	117.1	34%	0.337	61%	0.61	S	S	.	*			trans	-108.5	28.2	-174	-83.2	-21.2	0	0	0	115	N131 N136	N131-N134 PolarHBondContact O-N 3.34Å; N134-N136 PolarHBondContact O-N 3.21Å
135	N	52.2	Low	50.5	Low	131 Å²	131	116 Å²	116	70%	0.701	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	11.3	172.7	-88.1	-14.8	0	0	0	115.1
136	N	47	Very low	48.8	Very low	157 Å²	157	121.5 Å²	121.5	84%	0.84	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.6	12.1	-178.8	-116.7	0.6	0	0	0	118.9	N134	N134-N136 PolarHBondContact O-N 3.21Å
137	T	43.2	Very low	47.2	Very low	87 Å²	87	119.4 Å²	119.4	53%	0.534	64%	0.638	S	S	.	*			trans	-146.5	62.9	172.6	19.2	0	0	0	0	111.3	N139	T137-N139 VanDerWaalsContact C-N 3.25Å; T137-N139 PolarHBondContact O-N 2.92Å
138	N	46.4	Very low	45.6	Very low	134 Å²	134	118.7 Å²	118.7	72%	0.717	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	15.3	-164.6	-113.5	-14.3	0	0	0	117.5
139	N	50	Low	44.4	Very low	150 Å²	150	121.9 Å²	121.9	80%	0.802	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	-3	180	-86.9	-32	0	0	0	117.7	T137	T137-N139 VanDerWaalsContact C-N 3.25Å; T137-N139 PolarHBondContact O-N 2.92Å
140	T	43.9	Very low	43	Very low	108 Å²	108	122.5 Å²	122.5	66%	0.663	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-17	-178.3	-25.4	0	0	0	0	113.8
141	I	43.6	Very low	42	Very low	71 Å²	71	126.1 Å²	126.1	36%	0.364	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-87.3	-20.5	-174.7	-58.7	176.5	0	0	0	113	N143 Q144 A145	I141-N143 PolarHBondContact O-N 2.87Å; I141-Q144 PolarHBondContact O-N 3.1Å; I141-A145 PolarHBondContact O-N 2.92Å
142	K	38.6	Very low	41.1	Very low	180 Å²	180	128.5 Å²	128.5	78%	0.783	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-60.2	-20.4	176.5	-88.8	-175.1	176.6	177.9	0	113.9
143	N	41.5	Very low	40	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-98.3	-15.6	175.8	-71.8	-12.5	0	0	0	114.3	I141	I141-N143 PolarHBondContact O-N 2.87Å
144	Q	35.7	Very low	39.1	Very low	139 Å²	139	130.9 Å²	130.9	65%	0.65	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-21.1	174.9	-84.1	-176.2	-19.9	0	0	113.2	I141 K146 T147	I141-Q144 PolarHBondContact O-N 3.1Å; Q144-K146 PolarHBondContact O-N 3.22Å; Q144-T147 PolarHBondContact O-N 3.31Å
145	A	34.7	Very low	38.4	Very low	78 Å²	78	132.5 Å²	132.5	65%	0.645	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-18.5	173.8	0	0	0	0	0	113.5	I141	I141-A145 PolarHBondContact O-N 2.92Å
146	K	36.4	Very low	37.4	Very low	183 Å²	183	130.7 Å²	130.7	80%	0.796	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-14.1	178.1	-86.1	-173.4	175.2	-177.4	0	115	Q144	Q144-K146 PolarHBondContact O-N 3.22Å
147	T	34.6	Very low	36.6	Very low	106 Å²	106	127.2 Å²	127.2	65%	0.65	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-3.4	-176.4	52.5	0	0	0	0	114.2	Q144 N149	Q144-T147 PolarHBondContact O-N 3.31Å; T147-N149 PolarHBondContact O-N 3.48Å
148	S	30.1	Very low	36.2	Very low	71 Å²	71	129.4 Å²	129.4	50%	0.497	67%	0.671	S	S	.	*			trans	-76.1	74.2	168.1	169.5	0	0	0	0	109.9	Q150	S148-Q150 PolarHBondContact O-N 3.44Å
149	N	34.3	Very low	35.6	Very low	132 Å²	132	129.7 Å²	129.7	71%	0.706	67%	0.671	S	S	*	*			trans	-64.7	20.6	167.5	-80.6	-17.8	0	0	0	113.4	T147 Y151	T147-N149 PolarHBondContact O-N 3.48Å; N149-Y151 PolarHBondContact O-N 3.38Å
150	Q	29.3	Very low	34.8	Very low	148 Å²	148	124.2 Å²	124.2	69%	0.692	64%	0.643	S	S	*	*			trans	-81.9	60.6	163	-72.6	-177.3	-28.5	0	0	108.9	S148 F152	S148-Q150 PolarHBondContact O-N 3.44Å; Q150-F152 PolarHBondContact O-N 3.32Å
151	Y	34.9	Very low	34.8	Very low	187 Å²	187	124.1 Å²	124.1	73%	0.733	64%	0.643	S	S	*	*			trans	-61	96.9	152.8	-81.8	-88	0	0	0	105.1	N149 Q153	N149-Y151 PolarHBondContact O-N 3.38Å; Y151-Q153 PolarHBondContact O-N 3.24Å
152	F	33.9	Very low	34.9	Very low	171 Å²	171	123 Å²	123	75%	0.75	64%	0.64	S	S	*	*			trans	-51	112.1	171.7	-91	-93.2	0	0	0	106.5	Q150 F154	Q150-F152 PolarHBondContact O-N 3.32Å; F152-F154 PolarHBondContact O-N 3.44Å
153	Q	31.2	Very low	35.5	Very low	189 Å²	189	116.4 Å²	116.4	88%	0.883	61%	0.613	S	S	*	*			trans	-45.6	102.9	173	-154.4	168.6	16.4	0	0	106.5	Y151 P155	Y151-Q153 PolarHBondContact O-N 3.24Å; Q153-P155 VanDerWaalsContact O-N 3.13Å
154	F	32.2	Very low	36.3	Very low	130 Å²	130	114.7 Å²	114.7	57%	0.57	60%	0.597	S	S	*	*			trans	-51.7	126	174.6	-74.1	-85.6	0	0	0	105.5	V119 F152 S156	V119-F154 HydrophobicContact CG1-CD1 4.23Å; F152-F154 PolarHBondContact O-N 3.44Å; F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.03Å
155	P	31.6	Very low	37.9	Very low	98 Å²	98	108.5 Å²	108.5	64%	0.636	57%	0.568	S	S	*	*			trans	-57.3	110.8	173.1	23.2	-30	0	0	0	105	Q153 V157	Q153-P155 VanDerWaalsContact O-N 3.13Å; P155-V157 PolarHBondContact O-N 3.07Å
156	S	32	Very low	39.7	Very low	93 Å²	93	104.8 Å²	104.8	65%	0.65	54%	0.537	S	S	*	.			trans	-42.3	120	176.2	46	0	0	0	0	106.7	F154 I158	F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.03Å; S156-I158 VanDerWaalsContact C-N 3.3Å; S156-I158 WeakPolarHBondContact O-CG1 3.17Å; S156-I158 PolarHBondContact O-N 3.08Å
157	V	31	Very low	41.4	Very low	84 Å²	84	96 Å²	96	51%	0.509	50%	0.499	S	S	.	.			trans	-53.7	103.8	172.6	176.8	0	0	0	0	105.6	A112 A116 P155 I159	A112-V157 HydrophobicContact CB-CG1 4.13Å; A116-V157 HydrophobicContact CB-CG2 4.48Å; P155-V157 PolarHBondContact O-N 3.07Å; V157-I159 VanDerWaalsContact C-N 3.31Å; V157-I159 PolarHBondContact O-N 3.46Å
158	I	33.3	Very low	43.2	Very low	133 Å²	133	91.1 Å²	91.1	68%	0.682	47%	0.469	S	S	*	.			trans	-71.7	98.6	-178.7	-60.5	177.6	0	0	0	104.3	S156	S156-I158 VanDerWaalsContact C-N 3.3Å; S156-I158 WeakPolarHBondContact O-CG1 3.17Å; S156-I158 PolarHBondContact O-N 3.08Å
159	I	34.3	Very low	44.8	Very low	139 Å²	139	89.6 Å²	89.6	71%	0.713	46%	0.457	S	S	*	.			trans	-50.2	124.4	166.9	-61	173.2	0	0	0	105.6	V157 T161	V157-I159 VanDerWaalsContact C-N 3.31Å; V157-I159 PolarHBondContact O-N 3.46Å; I159-T161 PolarHBondContact O-N 3.33Å
160	P	34.6	Very low	45.9	Very low	35 Å²	35	86.9 Å²	86.9	23%	0.227	45%	0.445	C	S	.	.			trans	-57	133.4	-167.2	22.1	-34.6	0	0	0	110.4	K108 T162	K108-P160 HydrophobicContact CB-CB 4.26Å; K108-P160 HydrophobicContact CB-CG 3.87Å; K108-P160 HydrophobicContact CD-CB 3.39Å; K108-P160 HydrophobicContact CD-CG 3.84Å; K108-P160 HydrophobicContact CG-CB 4.44Å; P160-T162 VanDerWaalsContact C-N 3.28Å; P160-T162 PolarHBondContact O-N 3.44Å
161	T	42.4	Very low	46.8	Very low	107 Å²	107	82.7 Å²	82.7	66%	0.656	43%	0.43	S	S	*	.			trans	-58	91.1	173.1	50	0	0	0	0	109.2	I159	I159-T161 PolarHBondContact O-N 3.33Å
162	T	46.6	Very low	47.1	Very low	48 Å²	48	79.7 Å²	79.7	29%	0.294	43%	0.431	S	S	.	.			trans	40.4	90.5	142.6	62.1	0	0	0	0	116.9	P160 Y164	P160-T162 VanDerWaalsContact C-N 3.28Å; P160-T162 PolarHBondContact O-N 3.44Å; T162-Y164 VanDerWaalsContact CB-CE2 3.5Å; T162-Y164 HydrophobicContact CG2-CD2 3.91Å; T162-Y164 HydrophobicContact CG2-CE2 3.34Å
163	N	51.2	Low	47.3	Very low	41 Å²	41	76.3 Å²	76.3	22%	0.219	43%	0.425	C	S	.	.			trans	-95.6	79.6	158.5	-79.8	10.3	0	0	0	108.6	N83 L100 E104	N83-N163 VanDerWaalsContact OD1-C 3.27Å; N83-N163 WeakPolarHBondContact OD1-CA 3.39Å; L100-N163 WeakPolarHBondContact CG-O 3.35Å; E104-N163 PolarHBondContact OE2-ND2 3.32Å
164	Y	58.9	Low	47.6	Very low	96 Å²	96	73.3 Å²	73.3	38%	0.376	42%	0.419	S	S	.	.			trans	-100.1	121.1	179.2	-70.4	-70.7	0	0	0	109.6	F82 N83 F98 L100 T162	F82-Y164 WeakPolarHBondContact CB-O 3.39Å; N83-Y164 PolarHBondContact OD1-N 3.43Å; N83-Y164 PolarHBondContact OD1-O 3.29Å; F98-Y164 HydrophobicContact CB-CD1 4.14Å; L100-Y164 HydrophobicContact CD1-CD1 3.56Å; L100-Y164 HydrophobicContact CD1-CE1 3.25Å; L100-Y164 HydrophobicContact CD1-CG 4.34Å; T162-Y164 VanDerWaalsContact CB-CE2 3.5Å; T162-Y164 HydrophobicContact CG2-CD2 3.91Å; T162-Y164 HydrophobicContact CG2-CE2 3.34Å
165	F	69.3	Low	47.8	Very low	9 Å²	9	74 Å²	74	4%	0.039	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.8	170.7	46.6	-93.9	0	0	0	110.5	F98 Q99 S101 C167 W352 C427 I428	F98-F165 WeakPolarHBondContact CA-O 3.35Å; Q99-F165 HydrophobicContact CB-CE2 4.04Å; Q99-F165 PolarHBondContact N-O 2.59Å; Q99-F165 PolarHBondContact O-N 3.16Å; Q99-F165 VanDerWaalsContact O-N 3.11Å; S101-F165 VanDerWaalsContact N-CE1 3.27Å; S101-F165 VanDerWaalsContact N-CZ 3.33Å; F165-C167 WeakPolarHBondContact CD2-SG 3.33Å; F165-C167 VanDerWaalsContact CE2-SG 3.54Å; F165-W352 HydrophobicContact CB-CH2 4.27Å; F165-W352 HydrophobicContact CD1-CH2 4.38Å; F165-W352 HydrophobicContact CD1-CZ2 4.12Å; F165-W352 HydrophobicContact CD2-CH2 4.13Å; F165-W352 HydrophobicContact CD2-CZ2 4.34Å; F165-W352 HydrophobicContact CE1-CZ2 4.21Å; F165-W352 HydrophobicContact CE2-CZ2 4.43Å; F165-W352 HydrophobicContact CG-CH2 4.02Å; F165-W352 HydrophobicContact CG-CZ2 4.18Å; F165-W352 HydrophobicContact CZ-CZ2 4.36Å; F165-C427 HydrophobicContact CD2-CB 3.82Å; F165-C427 HydrophobicContact CE2-CB 4.12Å; F165-I428 VanDerWaalsContact CB-O 3.27Å; F165-I428 WeakPolarHBondContact CB-O 3.41Å
166	P	72.1	Confident	48.2	Very low	0 Å²	0	77.2 Å²	77.2	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.5	175.6	28.1	-36.3	0	0	0	111.3	F82 W96 F98 M185 C427 I428	F82-P166 HydrophobicContact CD1-CG 4.33Å; F82-P166 HydrophobicContact CD2-CG 4.15Å; F82-P166 HydrophobicContact CE1-CG 4.01Å; F82-P166 HydrophobicContact CE2-CG 3.81Å; F82-P166 HydrophobicContact CG-CG 4.4Å; F82-P166 HydrophobicContact CZ-CG 3.74Å; W96-P166 HydrophobicContact CE3-CB 3.78Å; W96-P166 HydrophobicContact CZ3-CB 4.12Å; F98-P166 HydrophobicContact CD1-CB 4.33Å; F98-P166 HydrophobicContact CE1-CB 3.89Å; F98-P166 HydrophobicContact CE1-CG 4.15Å; F98-P166 HydrophobicContact CZ-CB 3.98Å; F98-P166 HydrophobicContact CZ-CG 4.49Å; P166-M185 HydrophobicContact CB-CE 3.58Å; P166-M185 HydrophobicContact CG-CE 3.85Å; P166-M185 HydrophobicContact CG-SD 4.37Å; P166-C427 WeakPolarHBondContact O-CA 3.49Å; P166-I428 WeakPolarHBondContact CD-O 3.35Å; P166-I428 HydrophobicContact CG-CB 4.42Å; P166-I428 PolarHBondContact O-N 2.72Å
167	C	72.2	Confident	48.6	Very low	0 Å²	0	79.2 Å²	79.2	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.9	175	-61	0	0	0	0	110.9	W96 S97 Q99 F165 V426 C427	W96-C167 WeakPolarHBondContact CA-O 3.4Å; S97-C167 PolarHBondContact N-O 3.38Å; S97-C167 PolarHBondContact O-N 2.82Å; Q99-C167 HydrophobicContact CG-CB 4.14Å; F165-C167 WeakPolarHBondContact CD2-SG 3.33Å; F165-C167 VanDerWaalsContact CE2-SG 3.54Å; C167-V426 CarbonylContact C-O 3.56Å; C167-V426 WeakPolarHBondContact CA-O 3.49Å; C167-C427 HydrophobicContact CB-CB 4.13Å; C167-C427 WeakPolarHBondContact CB-SG 3.47Å; C167-C427 WeakPolarHBondContact SG-CB 3.45Å; C167-C427 CovalentContact SG-SG 2.04Å; C167-C427 PolarHBondContact SG-SG 3.47Å
168	S	71.1	Confident	49	Very low	2 Å²	2	83.3 Å²	83.3	1%	0.014	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126	171.8	56.5	0	0	0	0	111.1	D95 T422 T423 N425 V426	D95-S168 CarbonylContact O-C 3.56Å; D95-S168 VanDerWaalsContact O-CA 3.27Å; D95-S168 WeakPolarHBondContact O-CA 3.39Å; S168-T422 WeakPolarHBondContact CB-OG1 3.43Å; S168-T423 WeakPolarHBondContact CB-O 3.47Å; S168-T423 PolarHBondContact OG-O 3.1Å; S168-N425 PolarHBondContact O-N 3.11Å; S168-N425 PolarHBondContact OG-N 2.85Å; S168-V426 PolarHBondContact N-O 3.48Å; S168-V426 PolarHBondContact OG-N 2.93Å; S168-V426 PolarHBondContact OG-O 3.42Å
169	T	64.9	Low	49.5	Very low	39 Å²	39	83.4 Å²	83.4	24%	0.239	47%	0.465	C	S	.	.			trans	-111.4	147.7	-179	53.3	0	0	0	0	111.6	D95 S97 T171	D95-T169 PolarHBondContact O-N 2.92Å; D95-T169 PolarHBondContact O-OG1 3.24Å; S97-T169 WeakPolarHBondContact OG-CG2 3.2Å; T169-T171 PolarHBondContact O-N 3.02Å
170	T	56.1	Low	50.2	Low	75 Å²	75	81.5 Å²	81.5	46%	0.46	46%	0.46	S	S	.	.			trans	-73.7	104.2	171.6	-33.2	0	0	0	0	108.8	T172 N424	T170-T172 PolarHBondContact O-N 2.99Å; T170-N424 WeakPolarHBondContact CG2-ND2 3.46Å
171	T	48.5	Very low	51.4	Low	60 Å²	60	85.3 Å²	85.3	37%	0.368	48%	0.475	S	S	.	.			trans	-75.4	104.6	156	50.7	0	0	0	0	106.5	D95 T169 T173	D95-T171 WeakPolarHBondContact OD1-CB 3.31Å; D95-T171 WeakPolarHBondContact OD1-CG2 3.37Å; D95-T171 PolarHBondContact OD1-OG1 2.8Å; T169-T171 PolarHBondContact O-N 3.02Å; T171-T173 PolarHBondContact O-N 2.88Å
172	T	41.6	Very low	52.5	Low	125 Å²	125	83.7 Å²	83.7	77%	0.767	46%	0.457	S	S	*	.			trans	-63.6	73.3	165.7	41.8	0	0	0	0	108.9	T170 T174	T170-T172 PolarHBondContact O-N 2.99Å; T172-T174 VanDerWaalsContact C-N 3.32Å; T172-T174 PolarHBondContact O-N 3.3Å
173	T	39.1	Very low	53.4	Low	100 Å²	100	81.4 Å²	81.4	61%	0.613	44%	0.443	S	S	*	.			trans	-87.5	88	155.4	32.1	0	0	0	0	106	T171 N175	T171-T173 PolarHBondContact O-N 2.88Å; T173-N175 PolarHBondContact O-N 2.96Å
174	T	35.9	Very low	54.6	Low	126 Å²	126	83 Å²	83	77%	0.773	45%	0.447	S	S	*	.			trans	-40.4	102.9	158.7	31.7	0	0	0	0	109.7	T172	T172-T174 VanDerWaalsContact C-N 3.32Å; T172-T174 PolarHBondContact O-N 3.3Å
175	N	38	Very low	55.1	Low	145 Å²	145	78.5 Å²	78.5	78%	0.775	43%	0.429	S	S	*	.			trans	-172.3	83.3	152.8	-93.5	-19.3	0	0	0	110.7	T173 N177	T173-N175 PolarHBondContact O-N 2.96Å; N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.37Å
176	N	39.5	Very low	55.3	Low	164 Å²	164	81.2 Å²	81.2	88%	0.877	44%	0.441	S	S	*	.			trans	32.7	20.8	137.5	-77.4	0.5	0	0	0	123.2
177	N	39.7	Very low	55.4	Low	136 Å²	136	81.2 Å²	81.2	73%	0.727	44%	0.441	S	S	*	.			trans	-114.7	120.8	172.4	-72.2	-16.3	0	0	0	110	N175 N179	N175-N177 VanDerWaalsContact C-N 3.26Å; N175-N177 PolarHBondContact O-N 3.37Å; N177-N179 PolarHBondContact O-N 3.31Å
178	N	40.2	Very low	55.2	Low	170 Å²	170	82.2 Å²	82.2	91%	0.909	45%	0.448	S	S	*	.			trans	-62.4	27.7	-179.7	-72.2	-26.2	0	0	0	115.1	T180	N178-T180 PolarHBondContact O-N 3.5Å
179	N	43.3	Very low	55	Low	135 Å²	135	82.2 Å²	82.2	72%	0.722	45%	0.447	S	S	*	.			trans	-83.7	113.2	171.7	-71.9	-9.7	0	0	0	107.3	N177 Q181	N177-N179 PolarHBondContact O-N 3.31Å; N179-Q181 VanDerWaalsContact C-N 3.28Å; N179-Q181 PolarHBondContact O-N 3.36Å
180	T	49.1	Very low	54.8	Low	99 Å²	99	85.5 Å²	85.5	61%	0.607	46%	0.46	S	S	*	.			trans	-49.8	95.5	164.8	48.4	0	0	0	0	108.4	N178 Y182	N178-T180 PolarHBondContact O-N 3.5Å; T180-Y182 VanDerWaalsContact O-CD2 3.27Å; T180-Y182 WeakPolarHBondContact O-CD2 3.43Å; T180-Y182 PolarHBondContact O-N 3.37Å; T180-Y182 WeakPolarHBondContact OG1-CE2 3.42Å
181	Q	60.2	Low	55	Low	114 Å²	114	82.3 Å²	82.3	53%	0.533	44%	0.439	S	S	.	.			trans	-75.6	98.5	-175.9	-170.9	171	-23.3	0	0	106.9	N179	N179-Q181 VanDerWaalsContact C-N 3.28Å; N179-Q181 PolarHBondContact O-N 3.36Å
182	Y	65.5	Low	55.2	Low	73 Å²	73	79.6 Å²	79.6	29%	0.286	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-76.9	127.3	173.8	-67.5	-80.7	0	0	0	109.1	T180 Q275 I277 T422 T423	T180-Y182 VanDerWaalsContact O-CD2 3.27Å; T180-Y182 WeakPolarHBondContact O-CD2 3.43Å; T180-Y182 PolarHBondContact O-N 3.37Å; T180-Y182 WeakPolarHBondContact OG1-CE2 3.42Å; Y182-Q275 HydrophobicContact CE1-CB 4.24Å; Y182-Q275 PolarHBondContact OH-OE1 2.74Å; Y182-I277 HydrophobicContact CE1-CD1 3.97Å; Y182-T422 CarbonylContact C-O 3.56Å; Y182-T422 VanDerWaalsContact CA-O 3.27Å; Y182-T422 WeakPolarHBondContact CA-O 3.11Å; Y182-T423 HydrophobicContact CD1-CG2 4.07Å; Y182-T423 HydrophobicContact CE1-CG2 3.86Å
183	S	65.4	Low	55.7	Low	0 Å²	0	74.3 Å²	74.3	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	127.4	166.2	-48.1	0	0	0	0	108.2	S93 D95 T422	S93-S183 WeakPolarHBondContact OG-CA 3.39Å; D95-S183 VanDerWaalsContact CB-OG 3.31Å; D95-S183 WeakPolarHBondContact CB-OG 3.5Å; S183-T422 PolarHBondContact N-O 2.95Å; S183-T422 PolarHBondContact O-N 2.87Å; S183-T422 PolarHBondContact O-OG1 3.32Å
184	Y	75.9	Confident	56.1	Low	76 Å²	76	72 Å²	72	30%	0.298	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	143.8	178.6	81	-95.1	0	0	0	111.7	E91 H92 S93 W96 K186 I420	E91-Y184 HydrophobicContact CG-CE2 4.27Å; E91-Y184 WeakPolarHBondContact OE1-CE2 3.14Å; E91-Y184 PolarHBondContact OE1-OH 2.95Å; H92-Y184 WeakPolarHBondContact CA-O 3.35Å; S93-Y184 PolarHBondContact N-O 3.44Å; S93-Y184 PolarHBondContact OG-N 2.83Å; S93-Y184 PolarHBondContact OG-O 3.26Å; W96-Y184 VanDerWaalsContact NE1-C 3.34Å; W96-Y184 PolarHBondContact NE1-O 2.75Å; Y184-K186 HydrophobicContact CD2-CD 4.4Å; Y184-K186 HydrophobicContact CD2-CG 4.08Å; Y184-K186 HydrophobicContact CE2-CD 4.34Å; Y184-K186 HydrophobicContact CE2-CG 4.42Å; Y184-I420 CarbonylContact C-O 3.43Å; Y184-I420 WeakPolarHBondContact CA-O 3.31Å
185	M	70.3	Confident	56.3	Low	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.8	164.4	175.6	177.2	-84.7	0	0	108.3	F82 Y90 E91 H92 W96 P166 L187 I420	F82-M185 HydrophobicContact CZ-SD 4.32Å; Y90-M185 HydrophobicContact CD2-CE 3.9Å; Y90-M185 HydrophobicContact CE2-CE 4.37Å; Y90-M185 HydrophobicContact CG-CE 4.33Å; E91-M185 CarbonylContact O-C 3.47Å; E91-M185 WeakPolarHBondContact O-CA 3.2Å; H92-M185 HydrophobicContact CB-CB 4.48Å; H92-M185 HydrophobicContact CB-CE 4.29Å; W96-M185 HydrophobicContact CD2-CB 4.46Å; W96-M185 HydrophobicContact CD2-CE 4.19Å; W96-M185 HydrophobicContact CE3-CE 4.03Å; W96-M185 HydrophobicContact CH2-CB 4.35Å; W96-M185 HydrophobicContact CZ2-CB 3.78Å; W96-M185 HydrophobicContact CZ3-CE 4.41Å; P166-M185 HydrophobicContact CB-CE 3.58Å; P166-M185 HydrophobicContact CG-CE 3.85Å; P166-M185 HydrophobicContact CG-SD 4.37Å; M185-L187 HydrophobicContact CG-CD1 3.86Å; M185-L187 HydrophobicContact SD-CD1 4.01Å; M185-I420 HydrophobicContact CB-CB 4.46Å; M185-I420 PolarHBondContact N-O 2.93Å; M185-I420 PolarHBondContact O-N 2.02Å
186	K	73.7	Confident	56.5	Low	66 Å²	66	66.5 Å²	66.5	29%	0.287	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.2	176.8	-64.1	173.6	-168.6	158.4	0	109.4	Y90 E91 Y184 F417 L418	Y90-K186 CarbonylContact C-O 3.6Å; Y90-K186 VanDerWaalsContact CA-O 3.27Å; Y90-K186 WeakPolarHBondContact CA-O 3.36Å; E91-K186 HydrophobicContact CB-CB 4.32Å; E91-K186 PolarHBondContact N-O 2.85Å; E91-K186 PolarHBondContact O-N 2.91Å; E91-K186 IonicContact OE1-NZ 3.45Å; E91-K186 PolarHBondContact OE1-NZ 3.13Å; E91-K186 IonicContact OE2-NZ 2.61Å; Y184-K186 HydrophobicContact CD2-CD 4.4Å; Y184-K186 HydrophobicContact CD2-CG 4.08Å; Y184-K186 HydrophobicContact CE2-CD 4.34Å; Y184-K186 HydrophobicContact CE2-CG 4.42Å; K186-F417 HydrophobicContact CB-CD1 4.39Å; K186-L418 CarbonylContact C-O 3.57Å; K186-L418 VanDerWaalsContact CA-O 3.3Å; K186-L418 WeakPolarHBondContact CA-O 3.23Å
187	L	73.6	Confident	56	Low	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.6	172.8	-66.1	95.5	0	0	0	109.5	F82 C88 M185 I189 F417 L418 I420 I431	F82-L187 HydrophobicContact CZ-CD2 4.4Å; C88-L187 HydrophobicContact CB-CD2 4.16Å; M185-L187 HydrophobicContact CG-CD1 3.86Å; M185-L187 HydrophobicContact SD-CD1 4.01Å; L187-I189 PolarHBondContact O-N 2.87Å; L187-F417 CarbonylContact O-C 3.49Å; L187-F417 WeakPolarHBondContact O-CA 3.41Å; L187-L418 HydrophobicContact CB-CB 4.47Å; L187-L418 PolarHBondContact N-O 3.43Å; L187-L418 PolarHBondContact O-N 3.48Å; L187-I420 HydrophobicContact CD1-CD1 3.62Å; L187-I420 HydrophobicContact CD1-CG1 4.19Å; L187-I431 HydrophobicContact CD1-CD1 3.89Å; L187-I431 HydrophobicContact CD2-CD1 3.83Å
188	P	66.7	Low	55.6	Low	22 Å²	22	60 Å²	60	14%	0.143	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.1	167.7	30.6	-25.8	0	0	0	109.1	Y78 S89 T415 Q416 F417	Y78-P188 PolarHBondContact OH-O 2.8Å; S89-P188 WeakPolarHBondContact O-CD 3.41Å; S89-P188 WeakPolarHBondContact OG-CG 3.32Å; P188-T415 HydrophobicContact CB-CG2 3.47Å; P188-T415 VanDerWaalsContact CB-CG2 3.47Å; P188-Q416 CarbonylContact C-O 3.55Å; P188-Q416 WeakPolarHBondContact CA-O 3.33Å; P188-F417 HydrophobicContact CB-CD1 4.12Å; P188-F417 HydrophobicContact CB-CE1 3.85Å
189	I	67.1	Low	55	Low	1 Å²	1	59.4 Å²	59.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.3	176.7	-57.8	-174.5	0	0	0	107.6	Y78 L187 W191 L280 Q416 L418 L433	Y78-I189 HydrophobicContact CD1-CD1 4.28Å; Y78-I189 HydrophobicContact CD1-CG1 4.16Å; Y78-I189 HydrophobicContact CD1-CG2 4.38Å; Y78-I189 HydrophobicContact CD2-CG2 4.34Å; Y78-I189 HydrophobicContact CE1-CD1 4.35Å; Y78-I189 HydrophobicContact CE1-CG1 4.01Å; Y78-I189 HydrophobicContact CG-CG2 4.03Å; L187-I189 PolarHBondContact O-N 2.87Å; I189-W191 PolarHBondContact O-N 3.36Å; I189-W191 VanDerWaalsContact O-N 3.14Å; I189-L280 HydrophobicContact CD1-CD1 4.3Å; I189-Q416 PolarHBondContact N-O 3.49Å; I189-Q416 PolarHBondContact O-N 2.87Å; I189-Q416 VanDerWaalsContact O-O 3.08Å; I189-L418 HydrophobicContact CD1-CB 3.52Å; I189-L418 HydrophobicContact CD1-CD2 3.92Å; I189-L418 HydrophobicContact CD1-CG 4.31Å; I189-L418 HydrophobicContact CG1-CB 4.18Å; I189-L433 HydrophobicContact CD1-CD2 4.36Å; I189-L433 HydrophobicContact CG2-CD2 3.61Å
190	H	61	Low	54.3	Low	109 Å²	109	58.1 Å²	58.1	51%	0.505	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	109.1	171.2	-74.5	-84.3	0	0	0	108.9	T415	H190-T415 PolarHBondContact CE1-OG1 2.84Å
191	W	61.8	Low	53.4	Low	8 Å²	8	59.9 Å²	59.9	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.7	-177	-167.6	-100.9	0	0	0	110.8	I189 T193 A254 T414 Q416 L433 T435	I189-W191 PolarHBondContact O-N 3.36Å; I189-W191 VanDerWaalsContact O-N 3.14Å; W191-T193 PolarHBondContact O-N 3.07Å; W191-A254 HydrophobicContact CH2-CB 3.33Å; W191-A254 HydrophobicContact CZ2-CB 3.79Å; W191-A254 HydrophobicContact CZ3-CB 4.33Å; W191-T414 CarbonylContact C-O 3.54Å; W191-T414 PolarHBondContact N-O 2.82Å; W191-T414 PolarHBondContact O-N 3.35Å; W191-T414 PolarHBondContact O-OG1 2.85Å; W191-Q416 HydrophobicContact CB-CB 4.24Å; W191-Q416 HydrophobicContact CB-CG 4.06Å; W191-L433 HydrophobicContact CD2-CD2 4.19Å; W191-L433 HydrophobicContact CE3-CD2 3.38Å; W191-L433 HydrophobicContact CE3-CG 4.21Å; W191-L433 HydrophobicContact CH2-CD2 4.4Å; W191-L433 HydrophobicContact CZ3-CD1 4.26Å; W191-L433 HydrophobicContact CZ3-CD2 3.5Å; W191-L433 HydrophobicContact CZ3-CG 3.82Å; W191-T435 HydrophobicContact CH2-CG2 3.42Å; W191-T435 VanDerWaalsContact CH2-CG2 3.42Å; W191-T435 HydrophobicContact CZ3-CG2 3.87Å
192	P	52.2	Low	51.9	Low	3 Å²	3	58.9 Å²	58.9	2%	0.019	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.4	-179.9	25.1	-32.2	0	0	0	110.5	Y194	P192-Y194 HydrophobicContact CB-CE2 3.66Å; P192-Y194 HydrophobicContact CG-CE2 3.88Å; P192-Y194 WeakPolarHBondContact O-CE2 3.26Å
193	T	51.5	Low	50.2	Low	14 Å²	14	61 Å²	61	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.1	169.5	-60.6	0	0	0	0	108.6	W191 Y195 M412 T414 Q416	W191-T193 PolarHBondContact O-N 3.07Å; T193-Y195 HydrophobicContact CG2-CE1 4.38Å; T193-Y195 HydrophobicContact CG2-CE2 3.84Å; T193-M412 PolarHBondContact N-O 3.19Å; T193-M412 PolarHBondContact O-N 3.21Å; T193-T414 WeakPolarHBondContact CB-OG1 3.04Å; T193-T414 PolarHBondContact OG1-OG1 3.15Å; T193-Q416 PolarHBondContact OG1-NE2 2.81Å
194	Y	47.7	Very low	48.4	Very low	51 Å²	51	69.7 Å²	69.7	20%	0.2	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.3	-177.2	-63.5	-96.7	0	0	0	110.2	L67 I70 I71 P192 V410 A411	L67-Y194 HydrophobicContact CD1-CD1 4.02Å; L67-Y194 HydrophobicContact CD1-CE1 3.9Å; I70-Y194 HydrophobicContact CG2-CE1 4.05Å; I71-Y194 WeakPolarHBondContact CA-OH 2.92Å; I71-Y194 HydrophobicContact CD1-CE2 4.37Å; I71-Y194 HydrophobicContact CG1-CE2 3.73Å; I71-Y194 WeakPolarHBondContact CG1-OH 2.96Å; P192-Y194 HydrophobicContact CB-CE2 3.66Å; P192-Y194 HydrophobicContact CG-CE2 3.88Å; P192-Y194 WeakPolarHBondContact O-CE2 3.26Å; Y194-V410 WeakPolarHBondContact CA-O 3.39Å; Y194-A411 HydrophobicContact CD1-CB 3.5Å; Y194-A411 VanDerWaalsContact CD1-CB 3.5Å; Y194-A411 HydrophobicContact CE1-CB 3.18Å; Y194-A411 HydrophobicContact CG-CB 4.42Å
195	Y	40.7	Very low	46.2	Very low	108 Å²	108	73.3 Å²	73.3	42%	0.424	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143	174.7	-61.3	-84.2	0	0	0	110	T193 W409 V410 M412	T193-Y195 HydrophobicContact CG2-CE1 4.38Å; T193-Y195 HydrophobicContact CG2-CE2 3.84Å; Y195-W409 CarbonylContact O-C 3.51Å; Y195-W409 WeakPolarHBondContact O-CA 3.29Å; Y195-V410 PolarHBondContact N-O 3.38Å; Y195-V410 PolarHBondContact O-N 3.42Å; Y195-M412 HydrophobicContact CD2-CG 4.46Å; Y195-M412 HydrophobicContact CD2-SD 4.39Å; Y195-M412 HydrophobicContact CE2-CB 4.45Å; Y195-M412 HydrophobicContact CE2-SD 4.26Å
196	I	40.9	Very low	44.4	Very low	47 Å²	47	80.1 Å²	80.1	24%	0.241	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.5	167.9	-55.8	173.5	0	0	0	106.8	D407 W409	I196-D407 HydrophobicContact CG2-CB 3.73Å; I196-W409 HydrophobicContact CD1-CH2 3.48Å; I196-W409 VanDerWaalsContact CD1-CH2 3.48Å; I196-W409 HydrophobicContact CD1-CZ2 3.67Å; I196-W409 HydrophobicContact CD1-CZ3 3.94Å; I196-W409 HydrophobicContact CG1-CD2 3.97Å; I196-W409 HydrophobicContact CG1-CE3 3.75Å; I196-W409 HydrophobicContact CG1-CH2 3.65Å; I196-W409 HydrophobicContact CG1-CZ2 3.84Å; I196-W409 HydrophobicContact CG1-CZ3 3.6Å
197	I	28.9	Very low	42.1	Very low	85 Å²	85	83.1 Å²	83.1	44%	0.436	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.3	171.2	-55.2	-174.8	0	0	0	107.7	H408 V410	I197-H408 PolarHBondContact N-O 3.36Å; I197-H408 PolarHBondContact O-N 3.21Å; I197-V410 HydrophobicContact CD1-CB 4.12Å; I197-V410 HydrophobicContact CD1-CG2 3.42Å; I197-V410 VanDerWaalsContact CD1-CG2 3.42Å; I197-V410 HydrophobicContact CG1-CB 4.49Å; I197-V410 HydrophobicContact CG1-CG2 3.96Å
198	H	31	Very low	40	Very low	80 Å²	80	85.8 Å²	85.8	37%	0.37	48%	0.476	S	S	.	.			trans	-80.5	119	166.9	-56.4	-66.9	0	0	0	107.9	P200 D407	H198-P200 VanDerWaalsContact O-CD 3.23Å; H198-P200 WeakPolarHBondContact O-CD 3.5Å; H198-D407 IonicContact CE1-OD1 3.23Å; H198-D407 PolarHBondContact CE1-OD1 2.85Å; H198-D407 VanDerWaalsContact CE1-OD1 3.23Å; H198-D407 IonicContact CE1-OD2 3.49Å; H198-D407 PolarHBondContact CE1-OD2 3.31Å; H198-D407 IonicContact CG-OD1 3.86Å; H198-D407 IonicContact ND1-OD1 2.67Å; H198-D407 PolarHBondContact ND1-OD1 3.31Å; H198-D407 IonicContact ND1-OD2 3.79Å
199	K	28.6	Very low	38.1	Very low	156 Å²	156	91.4 Å²	91.4	68%	0.678	51%	0.51	S	S	*	.			trans	-96.5	103.6	170.6	-151.8	-179.7	-174.8	-174.1	0	107.7	N201	K199-N201 PolarHBondContact O-N 3.35Å
200	P	29.4	Very low	36.3	Very low	109 Å²	109	96.7 Å²	96.7	71%	0.708	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-70.8	119.2	177.4	26.8	-31.6	0	0	0	109.1	H198	H198-P200 VanDerWaalsContact O-CD 3.23Å; H198-P200 WeakPolarHBondContact O-CD 3.5Å
201	N	29.7	Very low	34.7	Very low	136 Å²	136	96.9 Å²	96.9	73%	0.727	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-81	124.2	166.9	-75.6	-10.8	0	0	0	108.1	K199	K199-N201 PolarHBondContact O-N 3.35Å
202	A	28.3	Very low	33.2	Very low	92 Å²	92	102.5 Å²	102.5	76%	0.76	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-64	133.9	174.3	0	0	0	0	0	109.4	E204	A202-E204 PolarHBondContact O-N 3.26Å
203	P	30.6	Very low	31.9	Very low	119 Å²	119	111.7 Å²	111.7	77%	0.773	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-66.8	121.2	178.3	26	-31.4	0	0	0	109.6
204	E	27.7	Very low	30.7	Very low	182 Å²	182	115.8 Å²	115.8	85%	0.85	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-75.1	126.2	164.8	-103.6	178.5	164.8	0	0	108.8	A202 V206	A202-E204 PolarHBondContact O-N 3.26Å; E204-V206 PolarHBondContact O-N 3.37Å
205	D	28.5	Very low	29.7	Very low	152 Å²	152	122.2 Å²	122.2	81%	0.813	71%	0.705	S	S	*	*			trans	-62.9	99.7	178.1	-92.8	-33.9	0	0	0	110.6	T207	D205-T207 PolarHBondContact O-N 3Å
206	V	32.7	Very low	29.1	Very low	143 Å²	143	125.9 Å²	125.9	87%	0.867	73%	0.731	S	S	*	*			trans	-80.3	59.1	168.8	-165	0	0	0	0	109.4	E204	E204-V206 PolarHBondContact O-N 3.37Å
207	T	26.3	Very low	28.3	Very low	128 Å²	128	129 Å²	129	79%	0.785	76%	0.757	S	S	*	*			trans	-94.8	91.1	162.5	32.1	0	0	0	0	108.7	D205	D205-T207 PolarHBondContact O-N 3Å
208	G	27.9	Very low	28.2	Very low	56 Å²	56	130.1 Å²	130.1	58%	0.577	77%	0.773	S	S	*	*			trans	-161.2	77.5	-179.5	0	0	0	0	0	113.3
209	T	28.1	Very low	28	Very low	140 Å²	140	136.8 Å²	136.8	86%	0.859	80%	0.795	S	S	*	*			trans	73	90.9	159.8	58.2	0	0	0	0	118.7
210	S	28.6	Very low	27.8	Very low	113 Å²	113	137.8 Å²	137.8	79%	0.79	81%	0.805	S	S	*	*			trans	-48.5	136.4	148.4	50.2	0	0	0	0	113.9
211	S	28.1	Very low	27.6	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	80%	0.802	S	S	*	*				148.2	93.9	125.2	58.7	0	0	0	0	112
212	S	29	Very low	27.4	Very low	126 Å²	126	141.8 Å²	141.8	88%	0.881	81%	0.81	S	S	*	*			trans	-155.3	72.8	156.8	-60.1	0	0	0	0	108.5	S214	S212-S214 PolarHBondContact O-N 3.34Å
213	Q	26.6	Very low	27.2	Very low	196 Å²	196	145.1 Å²	145.1	92%	0.916	81%	0.81	S	S	*	*			trans	-66.7	121.1	160.7	-79.8	173.7	-33	0	0	108.3
214	S	26.4	Very low	26.9	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	81%	0.813	S	S	*	*			trans	-173.2	119.1	140	38.3	0	0	0	0	112.9	S212	S212-S214 PolarHBondContact O-N 3.34Å
215	Q	26.4	Very low	26.7	Very low	187 Å²	187	151.7 Å²	151.7	87%	0.874	82%	0.816	S	S	*	*			trans	66.8	74.6	136.4	-58.1	-175.3	-6.5	0	0	118.6	S217	Q215-S217 PolarHBondContact O-N 2.74Å
216	L	26.5	Very low	26.4	Very low	185 Å²	185	148.3 Å²	148.3	97%	0.969	81%	0.805	S	S	*	*			trans	-84.4	88.9	149.7	-96.1	102.9	0	0	0	110.2
217	S	24	Very low	25.9	Very low	111 Å²	111	147.1 Å²	147.1	78%	0.776	79%	0.792	S	S	*	*			trans	-101.4	115.4	148.9	-86.4	0	0	0	0	107.5	Q215	Q215-S217 PolarHBondContact O-N 2.74Å
218	S	27.3	Very low	25.7	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	79%	0.785	S	S	*	*			trans	168.7	133.3	130.2	52.2	0	0	0	0	113.2
219	R	26.6	Very low	25.4	Very low	220 Å²	220	153.7 Å²	153.7	83%	0.83	80%	0.795	S	S	*	*			trans	49.4	105.5	139.5	-73	179.8	175.1	-179.5	-0.9	117.2	I221	R219-I221 HydrophobicContact CB-CG1 4.37Å; R219-I221 PolarHBondContact O-N 2.8Å
220	I	25	Very low	25.1	Very low	176 Å²	176	154.7 Å²	154.7	90%	0.903	79%	0.789	S	S	*	*			trans	-47.8	77.3	150.1	-53.7	165.7	0	0	0	109.6
221	I	25.4	Very low	24.8	Very low	126 Å²	126	154.5 Å²	154.5	65%	0.646	79%	0.788	S	S	*	*			trans	-85.8	118.7	158.1	-64.2	175.6	0	0	0	103.6	R219 Q223	R219-I221 HydrophobicContact CB-CG1 4.37Å; R219-I221 PolarHBondContact O-N 2.8Å; I221-Q223 HydrophobicContact CG2-CG 4.49Å; I221-Q223 PolarHBondContact O-N 3.13Å
222	K	25.5	Very low	24.5	Very low	203 Å²	203	155.3 Å²	155.3	88%	0.883	78%	0.783	S	S	*	*			trans	-54.9	81.7	166.7	-74.1	178.1	174.7	178.7	0	108.1	K224	K222-K224 PolarHBondContact O-N 2.57Å
223	Q	24.5	Very low	24.2	Very low	162 Å²	162	159 Å²	159	76%	0.757	78%	0.783	S	S	*	*			trans	-69.2	104.1	173.6	-87.3	-179.1	-20.1	0	0	105.7	I221 R225	I221-Q223 HydrophobicContact CG2-CG 4.49Å; I221-Q223 PolarHBondContact O-N 3.13Å; Q223-R225 PolarHBondContact O-N 2.75Å
224	K	24.6	Very low	24.2	Very low	195 Å²	195	153.6 Å²	153.6	85%	0.848	76%	0.758	S	S	*	*			trans	-35.6	126.7	152.8	-85.2	177.4	170	178.9	0	107.1	K222 S226	K222-K224 PolarHBondContact O-N 2.57Å; K224-S226 VanDerWaalsContact C-N 3.26Å; K224-S226 PolarHBondContact O-N 3.27Å
225	R	22.3	Very low	24.4	Very low	244 Å²	244	154.3 Å²	154.3	92%	0.921	76%	0.762	S	S	*	*			trans	-39.2	89.1	171.9	-67.9	175	176.5	177.9	-3.4	110.3	Q223 I227	Q223-R225 PolarHBondContact O-N 2.75Å; R225-I227 VanDerWaalsContact C-N 3.34Å; R225-I227 PolarHBondContact O-N 3.18Å
226	S	21.8	Very low	24.4	Very low	81 Å²	81	152.3 Å²	152.3	57%	0.566	76%	0.758	S	S	*	*			trans	-84.7	95.5	158.8	53.8	0	0	0	0	103.2	K224 I228	K224-S226 VanDerWaalsContact C-N 3.26Å; K224-S226 PolarHBondContact O-N 3.27Å; S226-I228 PolarHBondContact O-N 3.43Å
227	I	23.1	Very low	24.5	Very low	118 Å²	118	149.7 Å²	149.7	61%	0.605	75%	0.745	S	S	*	*			trans	-59.6	102.4	162.7	-63.5	169.9	0	0	0	103.9	R225 Y229	R225-I227 VanDerWaalsContact C-N 3.34Å; R225-I227 PolarHBondContact O-N 3.18Å; I227-Y229 HydrophobicContact CB-CE2 4.46Å; I227-Y229 HydrophobicContact CG2-CE1 4.41Å; I227-Y229 HydrophobicContact CG2-CE2 4.32Å; I227-Y229 VanDerWaalsContact O-CD2 3.32Å; I227-Y229 WeakPolarHBondContact O-CD2 3.26Å; I227-Y229 PolarHBondContact O-N 2.71Å; I227-Y229 VanDerWaalsContact O-N 3.07Å
228	I	21	Very low	24.8	Very low	124 Å²	124	150.3 Å²	150.3	64%	0.636	74%	0.744	S	S	*	*			trans	-71	102.5	171.4	-64	174.5	0	0	0	104.3	S226 H230	S226-I228 PolarHBondContact O-N 3.43Å; I228-H230 VanDerWaalsContact C-N 3.35Å; I228-H230 PolarHBondContact O-N 2.8Å
229	Y	22.8	Very low	24.7	Very low	198 Å²	198	149.9 Å²	149.9	78%	0.776	73%	0.733	S	S	*	*			trans	-67.3	97.3	168.4	-66.5	-87.6	0	0	0	107.2	I227 S231	I227-Y229 HydrophobicContact CB-CE2 4.46Å; I227-Y229 HydrophobicContact CG2-CE1 4.41Å; I227-Y229 HydrophobicContact CG2-CE2 4.32Å; I227-Y229 VanDerWaalsContact O-CD2 3.32Å; I227-Y229 WeakPolarHBondContact O-CD2 3.26Å; I227-Y229 PolarHBondContact O-N 2.71Å; I227-Y229 VanDerWaalsContact O-N 3.07Å; Y229-S231 VanDerWaalsContact C-N 3.32Å; Y229-S231 PolarHBondContact O-N 3.48Å; Y229-S231 VanDerWaalsContact O-N 3.08Å
230	H	21.9	Very low	24.7	Very low	162 Å²	162	145 Å²	145	75%	0.75	73%	0.728	S	S	*	*			trans	-72.7	98.4	158.9	-82.5	-69.5	0	0	0	107.1	I228 L232	I228-H230 VanDerWaalsContact C-N 3.35Å; I228-H230 PolarHBondContact O-N 2.8Å; H230-L232 PolarHBondContact O-N 3.31Å
231	S	21.2	Very low	24.8	Very low	108 Å²	108	145.1 Å²	145.1	76%	0.755	73%	0.73	S	S	*	*			trans	-67.8	86.2	157	67	0	0	0	0	106.3	Y229 K233	Y229-S231 VanDerWaalsContact C-N 3.32Å; Y229-S231 PolarHBondContact O-N 3.48Å; Y229-S231 VanDerWaalsContact O-N 3.08Å; S231-K233 PolarHBondContact O-N 3.49Å
232	L	22.8	Very low	24.9	Very low	130 Å²	130	143.5 Å²	143.5	68%	0.681	72%	0.718	S	S	*	*			trans	-62.1	112.5	163.7	-150.8	82.5	0	0	0	104.9	H230 Q234	H230-L232 PolarHBondContact O-N 3.31Å; L232-Q234 PolarHBondContact O-N 2.98Å
233	K	22.2	Very low	24.9	Very low	204 Å²	204	140.7 Å²	140.7	89%	0.887	71%	0.708	S	S	*	*			trans	-59	84.9	164.1	-82.4	179.8	173.1	179.1	0	106.3	S231 S235	S231-K233 PolarHBondContact O-N 3.49Å; K233-S235 PolarHBondContact O-N 2.89Å
234	Q	27	Very low	24.9	Very low	82 Å²	82	140.7 Å²	140.7	38%	0.383	71%	0.712	S	S	.	*			trans	-72	116	155.1	-122.7	167.6	13.4	0	0	104.7	L232 N236 N237 D239	L232-Q234 PolarHBondContact O-N 2.98Å; Q234-N236 PolarHBondContact O-N 3.29Å; Q234-N237 PolarHBondContact OE1-O 2.97Å; Q234-D239 VanDerWaalsContact CD-CG 3.41Å; Q234-D239 VanDerWaalsContact NE2-CG 3.28Å; Q234-D239 PolarHBondContact NE2-OD1 3.3Å; Q234-D239 PolarHBondContact NE2-OD2 3.12Å; Q234-D239 VanDerWaalsContact NE2-OD2 3.14Å; Q234-D239 PolarHBondContact OE1-OD1 3.34Å; Q234-D239 PolarHBondContact OE1-OD2 3.14Å; Q234-D239 VanDerWaalsContact OE1-OD2 3.12Å
235	S	30.6	Very low	25.3	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	69%	0.69	S	S	*	*	S	Bend	trans	-46.4	98.7	149.3	58.4	0	0	0	0	106.3	K233	K233-S235 PolarHBondContact O-N 2.89Å
236	N	26.3	Very low	25.6	Very low	145 Å²	145	130.3 Å²	130.3	78%	0.775	68%	0.683	S	S	*	*	S	Bend	trans	36.6	92	177.7	-61.8	-18.5	0	0	0	116.1	Q234	Q234-N236 PolarHBondContact O-N 3.29Å
237	N	29.3	Very low	26.3	Very low	130 Å²	130	128.3 Å²	128.3	70%	0.695	66%	0.664	S	S	*	*	S	Bend	trans	163.3	75.9	133.5	-84.6	-20.6	0	0	0	113.8	Q234 D239	Q234-N237 PolarHBondContact OE1-O 2.97Å; N237-D239 PolarHBondContact O-N 3.23Å
238	T	28.8	Very low	27.1	Very low	125 Å²	125	124.4 Å²	124.4	77%	0.767	65%	0.647	S	S	*	*			trans	25.1	80.4	151.4	57.5	0	0	0	0	117.6	T240	T238-T240 PolarHBondContact O-N 3.47Å; T238-T240 VanDerWaalsContact O-N 3.16Å
239	D	25.9	Very low	28.4	Very low	101 Å²	101	127 Å²	127	54%	0.54	65%	0.654	S	S	.	*			trans	-59.5	107.4	161.9	-71.1	-42.6	0	0	0	110.6	Q234 N237	Q234-D239 VanDerWaalsContact CD-CG 3.41Å; Q234-D239 VanDerWaalsContact NE2-CG 3.28Å; Q234-D239 PolarHBondContact NE2-OD1 3.3Å; Q234-D239 PolarHBondContact NE2-OD2 3.12Å; Q234-D239 VanDerWaalsContact NE2-OD2 3.14Å; Q234-D239 PolarHBondContact OE1-OD1 3.34Å; Q234-D239 PolarHBondContact OE1-OD2 3.14Å; Q234-D239 VanDerWaalsContact OE1-OD2 3.12Å; N237-D239 PolarHBondContact O-N 3.23Å
240	T	27.8	Very low	29.6	Very low	117 Å²	117	123.5 Å²	123.5	72%	0.718	65%	0.648	S	S	*	*			trans	-98	127.5	172	39.7	0	0	0	0	109.7	T238 K242	T238-T240 PolarHBondContact O-N 3.47Å; T238-T240 VanDerWaalsContact O-N 3.16Å; T240-K242 PolarHBondContact O-N 3.4Å
241	L	25.4	Very low	31.1	Very low	179 Å²	179	120 Å²	120	94%	0.937	63%	0.629	S	S	*	*			trans	-49.4	121.9	178.6	-76.3	109.4	0	0	0	112.4
242	K	27.4	Very low	33	Very low	91 Å²	91	115.3 Å²	115.3	40%	0.396	60%	0.596	S	S	.	*			trans	-97.5	108.3	175.8	-72.8	-174.8	-179.8	-171.1	0	111.2	T240 S406 D407 H408	T240-K242 PolarHBondContact O-N 3.4Å; K242-S406 VanDerWaalsContact NZ-C 3.26Å; K242-S406 PolarHBondContact NZ-O 3.47Å; K242-S406 PolarHBondContact NZ-OG 3.31Å; K242-D407 PolarHBondContact NZ-O 3.12Å; K242-H408 PolarHBondContact NZ-CE1 2.91Å; K242-H408 PolarHBondContact NZ-ND1 3.37Å; K242-H408 PolarHBondContact NZ-NE2 3.41Å; K242-H408 VanDerWaalsContact NZ-NE2 3.2Å
243	Q	25.7	Very low	34.9	Very low	145 Å²	145	110 Å²	110	68%	0.678	57%	0.567	S	S	*	*			trans	-81.8	135.4	164.9	-83.5	176.4	-19	0	0	109.9	Y245	Q243-Y245 HydrophobicContact CB-CE1 4.48Å; Q243-Y245 WeakPolarHBondContact O-CD1 3.45Å; Q243-Y245 VanDerWaalsContact O-CE1 3.31Å; Q243-Y245 WeakPolarHBondContact O-CE1 3.2Å; Q243-Y245 PolarHBondContact O-N 2.82Å
244	L	25.5	Very low	37	Very low	162 Å²	162	100.2 Å²	100.2	85%	0.848	53%	0.525	S	S	*	.			trans	-60.5	121.3	164.7	-102.6	89.5	0	0	0	109.2	T246	L244-T246 PolarHBondContact O-N 2.75Å
245	Y	31.5	Very low	39.1	Very low	94 Å²	94	96.3 Å²	96.3	37%	0.369	51%	0.507	S	S	.	.			trans	-84.8	105.5	-173.8	-55.8	-57.1	0	0	0	112.1	P63 Q243 W409	P63-Y245 HydrophobicContact CB-CD1 3.18Å; P63-Y245 HydrophobicContact CB-CE1 3.09Å; P63-Y245 HydrophobicContact CB-CG 4.14Å; P63-Y245 HydrophobicContact CG-CD1 3.5Å; P63-Y245 HydrophobicContact CG-CE1 3.18Å; Q243-Y245 HydrophobicContact CB-CE1 4.48Å; Q243-Y245 WeakPolarHBondContact O-CD1 3.45Å; Q243-Y245 VanDerWaalsContact O-CE1 3.31Å; Q243-Y245 WeakPolarHBondContact O-CE1 3.2Å; Q243-Y245 PolarHBondContact O-N 2.82Å; Y245-W409 HydrophobicContact CD2-CZ2 4.23Å; Y245-W409 AromaticContact CD2-NE1 3.47Å; Y245-W409 AromaticContact CE2-NE1 3.63Å
246	T	29.9	Very low	41.1	Very low	127 Å²	127	91.1 Å²	91.1	78%	0.779	47%	0.47	S	S	*	.			trans	-87.7	106.3	160.5	50.5	0	0	0	0	109	L244 S248	L244-T246 PolarHBondContact O-N 2.75Å; T246-S248 PolarHBondContact O-N 3.17Å
247	F	37.1	Very low	43.4	Very low	38 Å²	38	87.4 Å²	87.4	17%	0.167	45%	0.448	C	S	.	.			trans	-64.5	129.1	175.5	-65.1	-85.3	0	0	0	110.6	E64 L67 K249 P361 T363 W409	E64-F247 HydrophobicContact CG-CD1 4.3Å; L67-F247 HydrophobicContact CD2-CD1 4.46Å; L67-F247 HydrophobicContact CD2-CE1 3.42Å; L67-F247 VanDerWaalsContact CD2-CE1 3.42Å; L67-F247 HydrophobicContact CD2-CZ 3.82Å; F247-K249 PolarHBondContact O-N 3.39Å; F247-P361 HydrophobicContact CB-CG 4.26Å; F247-P361 HydrophobicContact CD1-CB 4.19Å; F247-P361 HydrophobicContact CD1-CG 4.17Å; F247-P361 HydrophobicContact CG-CB 4.36Å; F247-P361 HydrophobicContact CG-CG 4.39Å; F247-T363 HydrophobicContact CD2-CG2 3.48Å; F247-T363 VanDerWaalsContact CD2-CG2 3.48Å; F247-T363 HydrophobicContact CE2-CG2 4.04Å; F247-W409 AromaticContact CE2-CH2 3.78Å; F247-W409 HydrophobicContact CE2-CH2 3.78Å; F247-W409 HydrophobicContact CE2-CZ2 4.17Å; F247-W409 AromaticContact CZ-CH2 3.93Å; F247-W409 HydrophobicContact CZ-CH2 3.93Å; F247-W409 HydrophobicContact CZ-CZ2 4.2Å
248	S	39.1	Very low	45.5	Very low	36 Å²	36	81.6 Å²	81.6	25%	0.252	42%	0.417	S	S	.	.			trans	-67.7	119.8	166.7	70.1	0	0	0	0	109.3	T246 L250 Y251	T246-S248 PolarHBondContact O-N 3.17Å; S248-L250 PolarHBondContact O-N 2.82Å; S248-Y251 WeakPolarHBondContact OG-CD2 3.42Å
249	K	48.7	Very low	47.6	Very low	179 Å²	179	77.9 Å²	77.9	78%	0.778	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	9.2	172.4	-64.4	-178.4	178.8	179.1	0	113.6	F247	F247-K249 PolarHBondContact O-N 3.39Å
250	L	46.8	Very low	49.8	Very low	124 Å²	124	73.1 Å²	73.1	65%	0.649	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-22.3	-166.8	-69.5	169.2	0	0	0	113.5	S248	S248-L250 PolarHBondContact O-N 2.82Å
251	Y	55.2	Low	51.7	Low	90 Å²	90	68.4 Å²	68.4	35%	0.353	33%	0.334	S	S	.	.	S	Bend	trans	-123.1	128.2	-171.6	-59.1	-75.4	0	0	0	112.2	S248 Y360	S248-Y251 WeakPolarHBondContact OG-CD2 3.42Å; Y251-Y360 WeakPolarHBondContact O-CD1 3.46Å
252	P	60.9	Low	53.6	Low	9 Å²	9	60.2 Å²	60.2	6%	0.058	29%	0.291	C	S	.	.			trans	-69.9	145	173.5	28.9	-32.5	0	0	0	110.8	P358 I359 Y360 L442	P252-P358 HydrophobicContact CB-CB 3.61Å; P252-P358 HydrophobicContact CG-CB 4.14Å; P252-I359 CarbonylContact C-O 3.6Å; P252-I359 WeakPolarHBondContact CA-O 2.84Å; P252-Y360 HydrophobicContact CB-CD1 4.49Å; P252-Y360 HydrophobicContact CB-CE1 4.23Å; P252-L442 HydrophobicContact CB-CD2 4.38Å; P252-L442 HydrophobicContact CG-CD2 4.26Å; P252-L442 HydrophobicContact CG-CG 4.41Å; P252-L442 VanDerWaalsContact O-CD2 3.31Å; P252-L442 WeakPolarHBondContact O-CD2 3.45Å
253	I	61.5	Low	55.2	Low	17 Å²	17	57.5 Å²	57.5	9%	0.087	28%	0.281	C	S	.	.	S	Bend	trans	-95	-23.4	172.6	52	166.7	0	0	0	111.9	I68 I71 I359 P361	I68-I253 HydrophobicContact CG1-CG2 4.02Å; I71-I253 HydrophobicContact CD1-CB 4.23Å; I71-I253 HydrophobicContact CD1-CD1 4.11Å; I71-I253 HydrophobicContact CD1-CG2 4.18Å; I253-I359 HydrophobicContact CG1-CG2 4.35Å; I253-I359 VanDerWaalsContact CG1-O 3.31Å; I253-I359 WeakPolarHBondContact CG1-O 3.34Å; I253-I359 PolarHBondContact N-O 3.11Å; I253-P361 HydrophobicContact CD1-CB 4.29Å; I253-P361 HydrophobicContact CG2-CB 4.34Å; I253-P361 HydrophobicContact CG2-CG 4.02Å
254	A	66.3	Low	56.7	Low	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	166.6	-178.1	0	0	0	0	0	112.1	W191 I359 L433 T435	W191-A254 HydrophobicContact CH2-CB 3.33Å; W191-A254 HydrophobicContact CZ2-CB 3.79Å; W191-A254 HydrophobicContact CZ3-CB 4.33Å; A254-I359 HydrophobicContact CB-CB 4.05Å; A254-I359 HydrophobicContact CB-CD1 4.22Å; A254-I359 HydrophobicContact CB-CG1 4.46Å; A254-I359 PolarHBondContact N-O 3.12Å; A254-I359 PolarHBondContact O-N 2.66Å; A254-L433 HydrophobicContact CB-CD1 4.23Å; A254-T435 HydrophobicContact CB-CG2 3.91Å
255	C	70.6	Confident	58	Low	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.8	178.7	-160.3	0	0	0	0	112.2	L433 Y434 L442 C446	C255-L433 WeakPolarHBondContact O-CA 3.35Å; C255-Y434 HydrophobicContact CB-CD1 4.2Å; C255-Y434 HydrophobicContact CB-CD2 4.32Å; C255-Y434 HydrophobicContact CB-CE1 3.7Å; C255-Y434 HydrophobicContact CB-CE2 3.81Å; C255-Y434 HydrophobicContact CB-CG 4.49Å; C255-Y434 VanDerWaalsContact CB-CZ 3.47Å; C255-Y434 PolarHBondContact N-O 3.14Å; C255-Y434 PolarHBondContact O-N 3.12Å; C255-Y434 PolarHBondContact SG-OH 2.71Å; C255-L442 HydrophobicContact CB-CD1 3.98Å; C255-C446 WeakPolarHBondContact CA-SG 3.4Å; C255-C446 HydrophobicContact CB-CB 3.65Å; C255-C446 WeakPolarHBondContact CB-SG 3.37Å; C255-C446 WeakPolarHBondContact SG-CA 3.4Å; C255-C446 WeakPolarHBondContact SG-CB 3.5Å; C255-C446 CovalentContact SG-SG 2.02Å; C255-C446 PolarHBondContact SG-SG 2.77Å
256	L	74.1	Confident	58.7	Low	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.4	169.1	-179.1	67.1	0	0	0	109.2	L278 S356 M357 L418 I431 I432 L433	L256-L278 HydrophobicContact CD2-CD1 4.05Å; L256-S356 CarbonylContact O-C 3.57Å; L256-S356 WeakPolarHBondContact O-CA 3.32Å; L256-M357 HydrophobicContact CB-CB 4.48Å; L256-M357 PolarHBondContact N-O 3.37Å; L256-M357 PolarHBondContact O-N 3.31Å; L256-L418 HydrophobicContact CD1-CD2 4.2Å; L256-L418 HydrophobicContact CD2-CD1 4.16Å; L256-I431 HydrophobicContact CD1-CG2 3.94Å; L256-I432 CarbonylContact C-O 3.54Å; L256-I432 WeakPolarHBondContact CA-O 3.48Å; L256-L433 HydrophobicContact CB-CD1 4.42Å; L256-L433 HydrophobicContact CD1-CB 4.37Å
257	Q	74.7	Confident	59.3	Low	67 Å²	67	49.7 Å²	49.7	31%	0.313	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.7	170.5	-70.9	-178.2	-21.5	0	0	109.1	V355 I431 I432 Y434	Q257-V355 CarbonylContact C-O 3.57Å; Q257-V355 VanDerWaalsContact CA-O 3.31Å; Q257-V355 WeakPolarHBondContact CA-O 3.3Å; Q257-I431 WeakPolarHBondContact O-CA 3.46Å; Q257-I432 HydrophobicContact CB-CB 4.29Å; Q257-I432 PolarHBondContact N-O 2.95Å; Q257-I432 PolarHBondContact O-N 3.38Å; Q257-Y434 HydrophobicContact CG-CE1 3.98Å; Q257-Y434 PolarHBondContact NE2-OH 3.29Å
258	L	73.1	Confident	59.5	Low	7 Å²	7	54.6 Å²	54.6	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.3	-178	-176.2	68.1	0	0	0	109.3	I260 L278 V355 I428 I431	L258-I260 HydrophobicContact CB-CG1 4.47Å; L258-I260 HydrophobicContact CD2-CD1 3.44Å; L258-I260 VanDerWaalsContact CD2-CD1 3.44Å; L258-I260 HydrophobicContact CD2-CG1 3.59Å; L258-I260 HydrophobicContact CG-CD1 3.98Å; L258-I260 HydrophobicContact CG-CG1 3.58Å; L258-L278 HydrophobicContact CD2-CD1 3.85Å; L258-L278 HydrophobicContact CD2-CD2 3.93Å; L258-L278 HydrophobicContact CD2-CG 4.45Å; L258-V355 PolarHBondContact N-O 3.45Å; L258-V355 PolarHBondContact O-N 3.18Å; L258-I428 HydrophobicContact CD1-CG2 3.58Å; L258-I431 HydrophobicContact CD1-CB 4.36Å; L258-I431 HydrophobicContact CD1-CD1 3.91Å; L258-I431 HydrophobicContact CD1-CG1 3.66Å; L258-I431 HydrophobicContact CD1-CG2 4.25Å
259	K	72.9	Confident	59.4	Low	48 Å²	48	60.2 Å²	60.2	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.4	173.8	-177.7	171.8	169.5	-150.7	0	109.6	W352 N354 I428 D429 D430	K259-W352 HydrophobicContact CD-CE3 4.24Å; K259-W352 HydrophobicContact CG-CB 4.44Å; K259-W352 HydrophobicContact CG-CD2 4.18Å; K259-W352 HydrophobicContact CG-CE3 3.51Å; K259-W352 HydrophobicContact CG-CZ3 4.11Å; K259-N354 WeakPolarHBondContact CG-OD1 3.4Å; K259-I428 WeakPolarHBondContact O-CA 3.47Å; K259-D429 HydrophobicContact CB-CB 4.36Å; K259-D429 HydrophobicContact CD-CB 4.14Å; K259-D429 HydrophobicContact CG-CB 4.21Å; K259-D429 IonicContact NZ-OD2 3.9Å; K259-D429 PolarHBondContact NZ-OD2 2.84Å; K259-D429 PolarHBondContact O-N 2.72Å; K259-D430 HydrophobicContact CB-CB 4.41Å; K259-D430 PolarHBondContact N-O 2.76Å
260	I	72.2	Confident	58.8	Low	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.1	-171.8	-48.2	175	0	0	0	109.8	L258 F262 V276 L291 I353 V355 V426 C427	L258-I260 HydrophobicContact CB-CG1 4.47Å; L258-I260 HydrophobicContact CD2-CD1 3.44Å; L258-I260 VanDerWaalsContact CD2-CD1 3.44Å; L258-I260 HydrophobicContact CD2-CG1 3.59Å; L258-I260 HydrophobicContact CG-CD1 3.98Å; L258-I260 HydrophobicContact CG-CG1 3.58Å; I260-F262 HydrophobicContact CG2-CE1 4.45Å; I260-F262 HydrophobicContact CG2-CE2 4.18Å; I260-F262 HydrophobicContact CG2-CZ 4.09Å; I260-V276 HydrophobicContact CD1-CG1 4.32Å; I260-V276 HydrophobicContact CD1-CG2 4.41Å; I260-V276 HydrophobicContact CG2-CG2 4.37Å; I260-L291 HydrophobicContact CD1-CD1 3.62Å; I260-I353 PolarHBondContact N-O 2.8Å; I260-I353 PolarHBondContact O-N 3.19Å; I260-V355 HydrophobicContact CD1-CG2 3.8Å; I260-V355 HydrophobicContact CG1-CG2 4.29Å; I260-V426 HydrophobicContact CG2-CG1 3.56Å; I260-C427 CarbonylContact C-O 3.59Å; I260-C427 WeakPolarHBondContact CA-O 3.2Å
261	Q	67.7	Low	58.3	Low	17 Å²	17	57.6 Å²	57.6	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139	168.7	-177.7	-175.9	31.3	0	0	109.5	L263 D350 W352 C427	Q261-L263 HydrophobicContact CG-CD2 4.38Å; Q261-D350 VanDerWaalsContact NE2-C 3.26Å; Q261-D350 PolarHBondContact NE2-O 3.47Å; Q261-W352 HydrophobicContact CB-CD2 3.82Å; Q261-W352 HydrophobicContact CB-CE3 3.57Å; Q261-W352 HydrophobicContact CB-CH2 4.08Å; Q261-W352 HydrophobicContact CB-CZ2 4.28Å; Q261-W352 HydrophobicContact CB-CZ3 3.73Å; Q261-C427 HydrophobicContact CB-CB 4.23Å; Q261-C427 PolarHBondContact N-O 3.01Å; Q261-C427 PolarHBondContact O-N 2.94Å
262	F	65.6	Low	57.6	Low	8 Å²	8	58.1 Å²	58.1	4%	0.035	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.5	174	-63.8	-78.3	0	0	0	108.8	I260 V276 I293 D350 I353 V426	I260-F262 HydrophobicContact CG2-CE1 4.45Å; I260-F262 HydrophobicContact CG2-CE2 4.18Å; I260-F262 HydrophobicContact CG2-CZ 4.09Å; F262-V276 HydrophobicContact CE1-CG2 4.05Å; F262-V276 HydrophobicContact CZ-CG2 4.18Å; F262-I293 HydrophobicContact CB-CD1 4.03Å; F262-I293 HydrophobicContact CD1-CD1 4.01Å; F262-I293 HydrophobicContact CD2-CD1 4.15Å; F262-I293 HydrophobicContact CE1-CD1 4.49Å; F262-I293 HydrophobicContact CG-CD1 3.8Å; F262-D350 PolarHBondContact O-N 3.41Å; F262-I353 HydrophobicContact CD2-CD1 3.69Å; F262-I353 HydrophobicContact CE2-CD1 3.74Å; F262-V426 HydrophobicContact CD1-CG2 3.85Å; F262-V426 HydrophobicContact CE1-CG1 4.4Å; F262-V426 HydrophobicContact CE1-CG2 3.78Å
263	L	60.5	Low	57.1	Low	34 Å²	34	59.6 Å²	59.6	18%	0.178	31%	0.308	C	S	.	.			trans	-80.6	140	-179.7	-60.6	177	0	0	0	110.8	Q261 D350 N425 C427	Q261-L263 HydrophobicContact CG-CD2 4.38Å; L263-D350 WeakPolarHBondContact CA-OD1 3.23Å; L263-D350 WeakPolarHBondContact CD2-OD1 3.31Å; L263-N425 HydrophobicContact CB-CB 4.11Å; L263-N425 PolarHBondContact N-O 3.38Å; L263-C427 VanDerWaalsContact CD1-SG 3.5Å
264	S	57.4	Low	56.7	Low	45 Å²	45	59.2 Å²	59.2	32%	0.315	31%	0.307	S	S	.	.			trans	-64.8	134.2	173.1	-169	0	0	0	0	110.7	Y349 D350	S264-Y349 VanDerWaalsContact CA-CD1 3.46Å; S264-D350 PolarHBondContact N-OD1 2.93Å
265	N	51.7	Low	56.3	Low	59 Å²	59	60.8 Å²	60.8	32%	0.316	31%	0.314	S	S	.	.			trans	-95	109.1	166.8	-166.6	8.4	0	0	0	108.1	N267 N270	N265-N267 PolarHBondContact O-N 3.16Å; N265-N267 VanDerWaalsContact O-N 3.07Å; N265-N267 PolarHBondContact OD1-N 3.23Å; N265-N270 PolarHBondContact ND2-O 3.32Å
266	N	45.9	Very low	55.8	Low	142 Å²	142	60.8 Å²	60.8	76%	0.759	31%	0.314	S	S	*	.	S	Bend	trans	-62.4	-13.3	176.4	-74.1	-7	0	0	0	113.1	D268	N266-D268 PolarHBondContact O-N 2.74Å
267	N	42.8	Very low	55.1	Low	118 Å²	118	62.2 Å²	62.2	63%	0.631	32%	0.321	S	S	*	.			trans	-79.4	90.5	172.8	-73.4	-24	0	0	0	110.1	N265 N269 N270	N265-N267 PolarHBondContact O-N 3.16Å; N265-N267 VanDerWaalsContact O-N 3.07Å; N265-N267 PolarHBondContact OD1-N 3.23Å; N267-N269 PolarHBondContact O-N 2.75Å; N267-N270 PolarHBondContact O-N 3.21Å; N267-N270 VanDerWaalsContact O-N 3.12Å
268	D	41.3	Very low	54.5	Low	141 Å²	141	59 Å²	59	75%	0.754	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-20.2	176.9	-76.3	-36	0	0	0	115.1	N266	N266-D268 PolarHBondContact O-N 2.74Å
269	N	37.7	Very low	53.9	Low	153 Å²	153	60 Å²	60	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-15.8	-174.5	-68.6	-28.7	0	0	0	114.9	N267	N267-N269 PolarHBondContact O-N 2.75Å
270	N	35.8	Very low	53.3	Low	100 Å²	100	57.9 Å²	57.9	54%	0.535	31%	0.305	S	S	.	.			trans	-127.5	71.8	179.9	-84.3	-13.4	0	0	0	109.4	N265 N267 L272	N265-N270 PolarHBondContact ND2-O 3.32Å; N267-N270 PolarHBondContact O-N 3.21Å; N267-N270 VanDerWaalsContact O-N 3.12Å; N270-L272 HydrophobicContact CB-CD1 3.92Å; N270-L272 HydrophobicContact CB-CG 4Å; N270-L272 PolarHBondContact O-N 3.04Å
271	R	36.7	Very low	52.5	Low	148 Å²	148	58.7 Å²	58.7	56%	0.558	31%	0.313	S	S	*	.			trans	-61.4	48.9	158.5	-78.1	154.6	134.7	-147.5	-1.3	110.8	S273 E295	R271-S273 PolarHBondContact O-N 3.24Å; R271-E295 WeakPolarHBondContact CB-OE1 3.26Å; R271-E295 VanDerWaalsContact CD-CD 3.48Å; R271-E295 WeakPolarHBondContact CD-OE1 3.36Å; R271-E295 WeakPolarHBondContact CD-OE2 3.34Å; R271-E295 VanDerWaalsContact CG-OE1 3.28Å; R271-E295 WeakPolarHBondContact CG-OE1 3.16Å; R271-E295 VanDerWaalsContact CZ-CD 3.42Å; R271-E295 IonicContact CZ-OE1 2.73Å; R271-E295 IonicContact CZ-OE2 2.85Å; R271-E295 IonicContact NE-OE1 3.48Å; R271-E295 PolarHBondContact NE-OE1 3.23Å; R271-E295 IonicContact NE-OE2 3.69Å; R271-E295 IonicContact NH1-OE1 2.81Å; R271-E295 PolarHBondContact NH1-OE1 2.67Å; R271-E295 IonicContact NH1-OE2 2.88Å; R271-E295 PolarHBondContact NH1-OE2 3.31Å; R271-E295 IonicContact NH2-OE1 3.66Å
272	L	40.3	Very low	51.4	Low	102 Å²	102	63.2 Å²	63.2	53%	0.534	35%	0.347	S	S	.	.			trans	-61.4	109.4	176	-76.5	163.1	0	0	0	106.2	N270 S274	N270-L272 HydrophobicContact CB-CD1 3.92Å; N270-L272 HydrophobicContact CB-CG 4Å; N270-L272 PolarHBondContact O-N 3.04Å; L272-S274 PolarHBondContact O-N 2.86Å
273	S	50.2	Low	49.9	Very low	39 Å²	39	66 Å²	66	27%	0.273	36%	0.362	S	S	.	.			trans	-47.5	109.1	175	57.8	0	0	0	0	109.1	R271 Q275 I293	R271-S273 PolarHBondContact O-N 3.24Å; S273-Q275 PolarHBondContact O-N 2.75Å; S273-Q275 PolarHBondContact OG-NE2 3.15Å; S273-I293 WeakPolarHBondContact CA-O 3.48Å; S273-I293 WeakPolarHBondContact CB-O 3.36Å
274	S	52.6	Low	48.8	Very low	10 Å²	10	73.2 Å²	73.2	7%	0.07	39%	0.392	C	S	.	.			trans	-69.2	121.6	175.1	-61.1	0	0	0	0	108.3	L272 I293 T423 N424	L272-S274 PolarHBondContact O-N 2.86Å; S274-I293 PolarHBondContact O-N 2.89Å; S274-I293 VanDerWaalsContact O-N 3.15Å; S274-T423 WeakPolarHBondContact CA-OG1 3.37Å; S274-N424 PolarHBondContact OG-O 3.2Å
275	Q	58.5	Low	47.7	Very low	33 Å²	33	72.9 Å²	72.9	15%	0.154	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.9	179.5	-63.6	174.9	19	0	0	111.1	Y182 S273 V290 L291 T292 T422 T423	Y182-Q275 HydrophobicContact CE1-CB 4.24Å; Y182-Q275 PolarHBondContact OH-OE1 2.74Å; S273-Q275 PolarHBondContact O-N 2.75Å; S273-Q275 PolarHBondContact OG-NE2 3.15Å; Q275-V290 HydrophobicContact CG-CG1 4.5Å; Q275-L291 VanDerWaalsContact CA-O 3.23Å; Q275-L291 WeakPolarHBondContact CA-O 3.41Å; Q275-T292 HydrophobicContact CG-CG2 3.8Å; Q275-T422 CarbonylContact O-C 3.47Å; Q275-T422 VanDerWaalsContact O-CA 3.28Å; Q275-T422 WeakPolarHBondContact O-CA 3.46Å; Q275-T423 HydrophobicContact CB-CG2 3.74Å; Q275-T423 HydrophobicContact CG-CG2 4.32Å; Q275-T423 PolarHBondContact N-OG1 3.29Å; Q275-T423 PolarHBondContact O-N 3.15Å; Q275-T423 PolarHBondContact O-OG1 3.48Å
276	V	59.6	Low	46.8	Very low	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126	169.4	-176.8	0	0	0	0	108.6	I260 F262 L278 N289 L291 I420 L421 T422 V426	I260-V276 HydrophobicContact CD1-CG1 4.32Å; I260-V276 HydrophobicContact CD1-CG2 4.41Å; I260-V276 HydrophobicContact CG2-CG2 4.37Å; F262-V276 HydrophobicContact CE1-CG2 4.05Å; F262-V276 HydrophobicContact CZ-CG2 4.18Å; V276-L278 HydrophobicContact CG1-CD2 4.25Å; V276-L278 HydrophobicContact CG1-CG 4.42Å; V276-N289 VanDerWaalsContact O-O 3.14Å; V276-L291 HydrophobicContact CB-CD1 4.37Å; V276-L291 PolarHBondContact N-O 2.9Å; V276-L291 PolarHBondContact O-N 2.99Å; V276-I420 HydrophobicContact CG1-CG2 4.17Å; V276-L421 CarbonylContact C-O 3.58Å; V276-L421 WeakPolarHBondContact CA-O 3.5Å; V276-T422 HydrophobicContact CG1-CG2 4.14Å; V276-T422 HydrophobicContact CG2-CG2 4.07Å; V276-V426 HydrophobicContact CG2-CB 4.37Å; V276-V426 HydrophobicContact CG2-CG1 3.53Å; V276-V426 HydrophobicContact CG2-CG2 4.02Å
277	I	60.8	Low	46.3	Very low	34 Å²	34	67.1 Å²	67.1	17%	0.174	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.1	176.9	-53	172.2	0	0	0	107.9	Y182 V290 L421	Y182-I277 HydrophobicContact CE1-CD1 3.97Å; I277-V290 HydrophobicContact CG1-CG1 4.24Å; I277-V290 HydrophobicContact CG1-CG2 4.29Å; I277-L421 HydrophobicContact CB-CB 4.16Å; I277-L421 PolarHBondContact N-O 2.77Å; I277-L421 PolarHBondContact O-N 3.14Å
278	L	62	Low	45.7	Very low	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.6	178.9	-58.8	170.6	0	0	0	110.1	L256 L258 V276 I287 M357 S419 I420	L256-L278 HydrophobicContact CD2-CD1 4.05Å; L258-L278 HydrophobicContact CD2-CD1 3.85Å; L258-L278 HydrophobicContact CD2-CD2 3.93Å; L258-L278 HydrophobicContact CD2-CG 4.45Å; V276-L278 HydrophobicContact CG1-CD2 4.25Å; V276-L278 HydrophobicContact CG1-CG 4.42Å; L278-I287 CarbonylContact O-C 3.54Å; L278-M357 HydrophobicContact CD1-CE 3.91Å; L278-M357 HydrophobicContact CD1-SD 3.66Å; L278-S419 CarbonylContact C-O 3.45Å; L278-I420 HydrophobicContact CD2-CB 4.1Å; L278-I420 HydrophobicContact CD2-CD1 4.26Å; L278-I420 HydrophobicContact CD2-CG1 3.71Å; L278-I420 HydrophobicContact CD2-CG2 3.79Å
279	S	60.2	Low	45.6	Very low	27 Å²	27	62 Å²	62	19%	0.189	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134.7	174.9	-179.4	0	0	0	0	110.1	L418 S419	S279-L418 CarbonylContact O-C 3.48Å; S279-L418 WeakPolarHBondContact O-CA 3.21Å; S279-S419 PolarHBondContact N-O 3.42Å; S279-S419 PolarHBondContact O-N 3.08Å
280	L	60.4	Low	45.4	Very low	3 Å²	3	55.6 Å²	55.6	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.5	-179.4	-172.9	68.1	0	0	0	110.7	I189 Q285 I287 I359 L418	I189-L280 HydrophobicContact CD1-CD1 4.3Å; L280-Q285 PolarHBondContact N-O 3.44Å; L280-I287 HydrophobicContact CB-CD1 4.26Å; L280-I359 HydrophobicContact CD2-CD1 3.88Å; L280-L418 HydrophobicContact CD1-CB 3.99Å; L280-L418 HydrophobicContact CD1-CD1 4.34Å
281	G	54	Low	45.5	Very low	18 Å²	18	51.1 Å²	51.1	19%	0.186	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	168.1	170.5	0	0	0	0	0	116.3	F417	G281-F417 PolarHBondContact N-O 2.89Å
282	S	45.1	Very low	45.2	Very low	112 Å²	112	44.5 Å²	44.5	78%	0.783	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-25.6	176.3	52	0	0	0	0	112.9	K284	S282-K284 VanDerWaalsContact C-N 3.29Å; S282-K284 PolarHBondContact O-N 2.74Å; S282-K284 VanDerWaalsContact O-N 3.12Å
283	N	35.2	Very low	44.7	Very low	66 Å²	66	40.8 Å²	40.8	35%	0.353	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	51	-172.7	-82.3	-9.7	0	0	0	112.7	Q285 I364	N283-Q285 PolarHBondContact O-N 3.04Å; N283-I364 HydrophobicContact CB-CD1 3.6Å
284	K	36	Very low	44	Very low	187 Å²	187	41.2 Å²	41.2	81%	0.813	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.7	25.2	168.9	-61.8	-177.3	-178.9	176.2	0	116.6	S282 T286	S282-K284 VanDerWaalsContact C-N 3.29Å; S282-K284 PolarHBondContact O-N 2.74Å; S282-K284 VanDerWaalsContact O-N 3.12Å; K284-T286 PolarHBondContact O-N 3.12Å; K284-T286 PolarHBondContact O-OG1 3.39Å
285	Q	34.9	Very low	43	Very low	37 Å²	37	44.6 Å²	44.6	17%	0.173	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-75.4	61.6	164	-74.3	-173.7	20.8	0	0	107.5	L280 N283 I287 T362	L280-Q285 PolarHBondContact N-O 3.44Å; N283-Q285 PolarHBondContact O-N 3.04Å; Q285-I287 PolarHBondContact O-N 2.89Å; Q285-T362 HydrophobicContact CG-CG2 4.42Å; Q285-T362 WeakPolarHBondContact CG-OG1 3.46Å
286	T	32.3	Very low	41.5	Very low	58 Å²	58	45.3 Å²	45.3	36%	0.356	24%	0.242	S	C	.	.			trans	-75.9	98.7	179.9	-20.2	0	0	0	0	106.7	K284 R288	K284-T286 PolarHBondContact O-N 3.12Å; K284-T286 PolarHBondContact O-OG1 3.39Å; T286-R288 HydrophobicContact CG2-CG 3.62Å; T286-R288 PolarHBondContact O-N 3.16Å
287	I	36.6	Very low	40	Very low	22 Å²	22	53.8 Å²	53.8	11%	0.113	28%	0.279	C	S	.	.			trans	-71.5	70.3	165.5	-52.2	163	0	0	0	106.7	L278 L280 Q285 N289 M357 I359	L278-I287 CarbonylContact O-C 3.54Å; L280-I287 HydrophobicContact CB-CD1 4.26Å; Q285-I287 PolarHBondContact O-N 2.89Å; I287-N289 VanDerWaalsContact C-N 3.34Å; I287-N289 PolarHBondContact O-N 3.49Å; I287-M357 HydrophobicContact CG2-CB 4.46Å; I287-M357 HydrophobicContact CG2-SD 4.03Å; I287-I359 HydrophobicContact CD1-CD1 3.75Å; I287-I359 HydrophobicContact CD1-CG1 3.59Å; I287-I359 HydrophobicContact CG1-CG1 4.48Å
288	R	30.4	Very low	38.4	Very low	124 Å²	124	63.4 Å²	63.4	47%	0.468	31%	0.313	S	S	.	.			trans	-70.6	97.1	175.6	-68.7	-173.2	-169.8	-158.7	1	107.2	T286 S328	T286-R288 HydrophobicContact CG2-CG 3.62Å; T286-R288 PolarHBondContact O-N 3.16Å; R288-S328 VanDerWaalsContact C-OG 3.31Å; R288-S328 PolarHBondContact O-OG 3.21Å
289	N	38.3	Very low	36.9	Very low	29 Å²	29	69.4 Å²	69.4	16%	0.155	35%	0.345	C	S	.	.			trans	-121.3	105.7	161.7	-77.8	-27.2	0	0	0	105.6	V276 I287 M357	V276-N289 VanDerWaalsContact O-O 3.14Å; I287-N289 VanDerWaalsContact C-N 3.34Å; I287-N289 PolarHBondContact O-N 3.49Å; N289-M357 HydrophobicContact CB-CE 3.22Å; N289-M357 HydrophobicContact CB-SD 3.75Å; N289-M357 WeakPolarHBondContact ND2-CE 3.31Å; N289-M357 WeakPolarHBondContact ND2-CG 3.23Å; N289-M357 PolarHBondContact ND2-SD 3.02Å
290	V	32.9	Very low	35.3	Very low	18 Å²	18	73.7 Å²	73.7	11%	0.109	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.5	178.8	-168.4	0	0	0	0	108	Q275 I277 T292 S328 I330	Q275-V290 HydrophobicContact CG-CG1 4.5Å; I277-V290 HydrophobicContact CG1-CG1 4.24Å; I277-V290 HydrophobicContact CG1-CG2 4.29Å; V290-T292 VanDerWaalsContact CG1-OG1 3.3Å; V290-T292 WeakPolarHBondContact CG1-OG1 2.84Å; V290-T292 PolarHBondContact O-N 3.08Å; V290-S328 WeakPolarHBondContact CB-O 3.42Å; V290-S328 PolarHBondContact N-O 3.36Å; V290-I330 PolarHBondContact O-N 2.66Å
291	L	39.4	Very low	33.6	Very low	5 Å²	5	84.2 Å²	84.2	3%	0.026	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	103.4	170.4	-66.6	155.9	0	0	0	106.8	I260 Q275 V276 I330 W332 V355 M357 L450	I260-L291 HydrophobicContact CD1-CD1 3.62Å; Q275-L291 VanDerWaalsContact CA-O 3.23Å; Q275-L291 WeakPolarHBondContact CA-O 3.41Å; V276-L291 HydrophobicContact CB-CD1 4.37Å; V276-L291 PolarHBondContact N-O 2.9Å; V276-L291 PolarHBondContact O-N 2.99Å; L291-I330 HydrophobicContact CD2-CD1 3.48Å; L291-I330 VanDerWaalsContact CD2-CD1 3.48Å; L291-I330 HydrophobicContact CG-CD1 4.2Å; L291-W332 HydrophobicContact CD2-CZ2 3.94Å; L291-V355 HydrophobicContact CD1-CG1 4.43Å; L291-V355 HydrophobicContact CD1-CG2 4.1Å; L291-M357 HydrophobicContact CD1-CE 4.48Å; L291-L450 HydrophobicContact CD2-CD2 3.93Å
292	T	30.3	Very low	32.2	Very low	9 Å²	9	90.3 Å²	90.3	6%	0.055	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.4	-176.4	-49.3	0	0	0	0	110.8	Q275 V290 D294 W332	Q275-T292 HydrophobicContact CG-CG2 3.8Å; V290-T292 VanDerWaalsContact CG1-OG1 3.3Å; V290-T292 WeakPolarHBondContact CG1-OG1 2.84Å; V290-T292 PolarHBondContact O-N 3.08Å; T292-D294 PolarHBondContact O-N 2.57Å; T292-W332 PolarHBondContact O-NE1 2.69Å
293	I	29.7	Very low	31.3	Very low	24 Å²	24	91.8 Å²	91.8	12%	0.123	43%	0.429	C	S	.	.			trans	-79.5	110.9	168.2	-54.4	-179.3	0	0	0	108	F262 S273 S274 L347	F262-I293 HydrophobicContact CB-CD1 4.03Å; F262-I293 HydrophobicContact CD1-CD1 4.01Å; F262-I293 HydrophobicContact CD2-CD1 4.15Å; F262-I293 HydrophobicContact CE1-CD1 4.49Å; F262-I293 HydrophobicContact CG-CD1 3.8Å; S273-I293 WeakPolarHBondContact CA-O 3.48Å; S273-I293 WeakPolarHBondContact CB-O 3.36Å; S274-I293 PolarHBondContact O-N 2.89Å; S274-I293 VanDerWaalsContact O-N 3.15Å; I293-L347 HydrophobicContact CD1-CD1 4.16Å; I293-L347 HydrophobicContact CG1-CD1 4.02Å
294	D	35.1	Very low	30.9	Very low	48 Å²	48	94.5 Å²	94.5	26%	0.257	44%	0.443	S	S	.	.			trans	-109.1	139	-168.8	-163.6	28.3	0	0	0	113.6	T292 R329	T292-D294 PolarHBondContact O-N 2.57Å; D294-R329 IonicContact OD1-NH2 3.29Å; D294-R329 PolarHBondContact OD1-NH2 3.48Å; D294-R329 VanDerWaalsContact OD1-NH2 3.16Å; D294-R329 IonicContact OD2-CZ 2.82Å; D294-R329 VanDerWaalsContact OD2-CZ 3.29Å; D294-R329 IonicContact OD2-NE 3.8Å; D294-R329 PolarHBondContact OD2-NE 3.34Å; D294-R329 IonicContact OD2-NH2 3.6Å; D294-R329 PolarHBondContact OD2-NH2 3.49Å
295	E	31.8	Very low	30.4	Very low	82 Å²	82	94.3 Å²	94.3	38%	0.383	44%	0.439	S	S	.	.			trans	-110.5	108.1	174.4	-145.4	166.6	-94.6	0	0	108.1	R271 F297	R271-E295 WeakPolarHBondContact CB-OE1 3.26Å; R271-E295 VanDerWaalsContact CD-CD 3.48Å; R271-E295 WeakPolarHBondContact CD-OE1 3.36Å; R271-E295 WeakPolarHBondContact CD-OE2 3.34Å; R271-E295 VanDerWaalsContact CG-OE1 3.28Å; R271-E295 WeakPolarHBondContact CG-OE1 3.16Å; R271-E295 VanDerWaalsContact CZ-CD 3.42Å; R271-E295 IonicContact CZ-OE1 2.73Å; R271-E295 IonicContact CZ-OE2 2.85Å; R271-E295 IonicContact NE-OE1 3.48Å; R271-E295 PolarHBondContact NE-OE1 3.23Å; R271-E295 IonicContact NE-OE2 3.69Å; R271-E295 IonicContact NH1-OE1 2.81Å; R271-E295 PolarHBondContact NH1-OE1 2.67Å; R271-E295 IonicContact NH1-OE2 2.88Å; R271-E295 PolarHBondContact NH1-OE2 3.31Å; R271-E295 IonicContact NH2-OE1 3.66Å; E295-F297 PolarHBondContact O-N 3.08Å
296	S	26.8	Very low	30	Very low	48 Å²	48	99.5 Å²	99.5	34%	0.336	47%	0.467	S	S	.	.	S	Bend	trans	-37.3	126.7	169.5	53.1	0	0	0	0	111.5	R336	S296-R336 PolarHBondContact OG-NH2 3.43Å
297	F	27.6	Very low	29.9	Very low	177 Å²	177	100.9 Å²	100.9	78%	0.776	48%	0.479	S	S	*	.			trans	79.4	103.7	171.4	-54.9	-86.2	0	0	0	117	E295	E295-F297 PolarHBondContact O-N 3.08Å
298	R	27.4	Very low	29.6	Very low	236 Å²	236	106.5 Å²	106.5	89%	0.891	51%	0.509	S	S	*	.			trans	-137.5	107.7	133.3	-141.2	171.2	-175.8	-178	1.4	109.1	V300	R298-V300 VanDerWaalsContact C-N 3.32Å; R298-V300 PolarHBondContact O-N 3.46Å
299	N	31	Very low	29.6	Very low	128 Å²	128	108.7 Å²	108.7	68%	0.684	53%	0.53	S	S	*	.			trans	-57.4	72.8	-173	-64.3	-29	0	0	0	114.4
300	V	26.8	Very low	29.4	Very low	116 Å²	116	114.4 Å²	114.4	70%	0.703	56%	0.561	S	S	*	*			trans	-124.7	32.3	177.2	-160.5	0	0	0	0	112.5	R298	R298-V300 VanDerWaalsContact C-N 3.32Å; R298-V300 PolarHBondContact O-N 3.46Å
301	Y	25.2	Very low	29.2	Very low	225 Å²	225	124.4 Å²	124.4	88%	0.882	60%	0.597	S	S	*	*			trans	-123.1	65.2	153.3	-77.3	-80.1	0	0	0	107.8	E303	Y301-E303 PolarHBondContact O-N 3.25Å; Y301-E303 VanDerWaalsContact O-N 3.15Å
302	H	24.3	Very low	28.6	Very low	146 Å²	146	131 Å²	131	68%	0.676	63%	0.632	S	S	*	*			trans	-66.8	95.9	146.9	-93.3	-79.6	0	0	0	105.6	D304	H302-D304 IonicContact ND1-OD1 3.52Å; H302-D304 PolarHBondContact O-N 3.46Å
303	E	25.7	Very low	28.4	Very low	143 Å²	143	138.5 Å²	138.5	67%	0.668	67%	0.667	S	S	*	*			trans	-64.4	71	152.8	-70.9	-171.3	163.1	0	0	107.4	Y301 Y305	Y301-E303 PolarHBondContact O-N 3.25Å; Y301-E303 VanDerWaalsContact O-N 3.15Å; E303-Y305 HydrophobicContact CB-CD2 3.93Å; E303-Y305 HydrophobicContact CB-CE2 4.03Å; E303-Y305 HydrophobicContact CG-CE2 4.28Å; E303-Y305 PolarHBondContact O-N 3.38Å
304	D	25.6	Very low	28.2	Very low	122 Å²	122	143.2 Å²	143.2	65%	0.652	69%	0.692	S	S	*	*			trans	-77.4	81.6	162.1	-75.7	-11.4	0	0	0	105.9	H302 D306	H302-D304 IonicContact ND1-OD1 3.52Å; H302-D304 PolarHBondContact O-N 3.46Å; D304-D306 PolarHBondContact O-N 2.89Å
305	Y	26.3	Very low	27.7	Very low	184 Å²	184	148.3 Å²	148.3	72%	0.722	72%	0.719	S	S	*	*			trans	-65.7	82.3	155.8	-79.7	-90.2	0	0	0	107.9	E303	E303-Y305 HydrophobicContact CB-CD2 3.93Å; E303-Y305 HydrophobicContact CB-CE2 4.03Å; E303-Y305 HydrophobicContact CG-CE2 4.28Å; E303-Y305 PolarHBondContact O-N 3.38Å
306	D	26.5	Very low	27.3	Very low	146 Å²	146	152.5 Å²	152.5	78%	0.781	74%	0.739	S	S	*	*			trans	-116	89.5	153.3	-82.4	-30.3	0	0	0	104.5	D304	D304-D306 PolarHBondContact O-N 2.89Å
307	S	29.5	Very low	27.1	Very low	86 Å²	86	158.3 Å²	158.3	60%	0.601	76%	0.764	S	S	*	*				50.1	109.7	79.1	-162.2	0	0	0	0	111
308	D	31	Very low	26.9	Very low	140 Å²	140	154.7 Å²	154.7	75%	0.749	76%	0.761	S	S	*	*			trans	78	81.7	160.8	-46.8	-44.3	0	0	0	117
309	D	31.4	Very low	26.6	Very low	170 Å²	170	148.3 Å²	148.3	91%	0.909	75%	0.753	S	S	*	*			trans	-144.6	90.3	140.5	-96.2	-31.5	0	0	0	110.3	R311	D309-R311 PolarHBondContact O-N 3.1Å
310	D	33	Very low	26.2	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	76%	0.755	S	S	*	*			trans	-52	125	155.4	-74.4	-45.8	0	0	0	109.8
311	R	28.2	Very low	26.1	Very low	227 Å²	227	146.1 Å²	146.1	86%	0.857	75%	0.753	S	S	*	*				163.8	134.8	127.5	-88	156.8	-174.8	-163.9	2.4	114.2	D309	D309-R311 PolarHBondContact O-N 3.1Å
312	N	28.2	Very low	26	Very low	144 Å²	144	140.9 Å²	140.9	77%	0.77	75%	0.749	S	S	*	*			trans	71.8	98.4	154.4	-63.3	-4.4	0	0	0	116.9
313	E	26.2	Very low	26	Very low	166 Å²	166	139.6 Å²	139.6	78%	0.776	75%	0.747	S	S	*	*				58.9	113.3	86.2	-90.5	-168.1	175.2	0	0	115
314	N	24	Very low	25.8	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	75%	0.746	S	S	*	*			trans	78.9	97.3	153.2	-47	-32.2	0	0	0	117
315	D	25.1	Very low	25.8	Very low	155 Å²	155	136.9 Å²	136.9	83%	0.829	75%	0.748	S	S	*	*				170.1	147.4	99.7	-85.7	-31.3	0	0	0	112.3
316	E	24.2	Very low	25.6	Very low	171 Å²	171	134.3 Å²	134.3	80%	0.799	75%	0.752	S	S	*	*			trans	69.6	83.9	161.7	-67.6	-175	162.8	0	0	119.3	S318	E316-S318 VanDerWaalsContact C-N 3.33Å; E316-S318 PolarHBondContact O-N 2.95Å; E316-S318 PolarHBondContact O-OG 2.94Å
317	I	22.4	Very low	25.6	Very low	169 Å²	169	130.5 Å²	130.5	87%	0.867	74%	0.737	S	S	*	*			trans	-9.1	82.8	134.3	-51.7	164.5	0	0	0	113.2
318	S	22.2	Very low	25.4	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	71%	0.714	S	S	*	*			trans	-114.9	73.3	155.5	37.7	0	0	0	0	106.1	E316 S320	E316-S318 VanDerWaalsContact C-N 3.33Å; E316-S318 PolarHBondContact O-N 2.95Å; E316-S318 PolarHBondContact O-OG 2.94Å; S318-S320 PolarHBondContact O-N 2.98Å
319	S	22.5	Very low	25.3	Very low	102 Å²	102	126.1 Å²	126.1	71%	0.713	70%	0.699	S	S	*	*			trans	-70.3	67.1	171.4	59	0	0	0	0	109.3	S321	S319-S321 PolarHBondContact O-N 3.27Å
320	S	22.5	Very low	25.3	Very low	105 Å²	105	118.2 Å²	118.2	73%	0.734	66%	0.657	S	S	*	*			trans	-67.8	81.4	154.5	50.1	0	0	0	0	105.7	S318 S322	S318-S320 PolarHBondContact O-N 2.98Å; S320-S322 PolarHBondContact O-N 3.47Å
321	S	23.7	Very low	25.4	Very low	94 Å²	94	113.4 Å²	113.4	66%	0.657	63%	0.631	S	S	*	*			trans	-47.6	109.7	168	51.1	0	0	0	0	107.1	S319 L323	S319-S321 PolarHBondContact O-N 3.27Å; S321-L323 PolarHBondContact O-N 3.25Å
322	S	22.8	Very low	25.9	Very low	115 Å²	115	103.8 Å²	103.8	80%	0.804	60%	0.595	S	S	*	*			trans	-61.9	85.6	177.2	52.6	0	0	0	0	106.8	S320 S324	S320-S322 PolarHBondContact O-N 3.47Å; S322-S324 PolarHBondContact O-N 3.43Å
323	L	24.3	Very low	26	Very low	119 Å²	119	99 Å²	99	62%	0.623	57%	0.573	S	S	*	*			trans	-54.1	108.7	174.3	-158.4	81.1	0	0	0	105.2	S321 T325	S321-L323 PolarHBondContact O-N 3.25Å; L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 WeakPolarHBondContact O-CG2 3.47Å; L323-T325 PolarHBondContact O-N 2.85Å
324	S	23	Very low	26.4	Very low	95 Å²	95	92.7 Å²	92.7	66%	0.664	54%	0.544	S	S	*	.			trans	-56.1	102.3	178.3	59.3	0	0	0	0	107.6	S322 T326	S322-S324 PolarHBondContact O-N 3.43Å; S324-T326 PolarHBondContact O-N 3.41Å
325	T	24	Very low	27	Very low	113 Å²	113	87.6 Å²	87.6	69%	0.693	52%	0.517	S	S	*	.			trans	-72.5	74.2	-175.5	38.8	0	0	0	0	108.6	L323 S327	L323-T325 VanDerWaalsContact C-N 3.33Å; L323-T325 WeakPolarHBondContact O-CG2 3.47Å; L323-T325 PolarHBondContact O-N 2.85Å; T325-S327 PolarHBondContact O-N 3.33Å
326	T	23	Very low	27.3	Very low	129 Å²	129	85.4 Å²	85.4	79%	0.791	50%	0.497	S	S	*	.			trans	-75.4	71.3	156.4	57.5	0	0	0	0	106.9	S324 S328	S324-T326 PolarHBondContact O-N 3.41Å; T326-S328 PolarHBondContact O-N 3.02Å
327	S	25.6	Very low	27.8	Very low	67 Å²	67	81.8 Å²	81.8	47%	0.469	48%	0.48	S	S	.	.			trans	-64.3	127.3	165.1	49.3	0	0	0	0	107.4	T325 R329	T325-S327 PolarHBondContact O-N 3.33Å; S327-R329 PolarHBondContact O-N 2.74Å
328	S	25.6	Very low	28.5	Very low	19 Å²	19	79 Å²	79	13%	0.133	46%	0.463	C	S	.	.			trans	-70.3	85.5	168.3	38.1	0	0	0	0	107.8	R288 V290 T326 Y472	R288-S328 VanDerWaalsContact C-OG 3.31Å; R288-S328 PolarHBondContact O-OG 3.21Å; V290-S328 WeakPolarHBondContact CB-O 3.42Å; V290-S328 PolarHBondContact N-O 3.36Å; T326-S328 PolarHBondContact O-N 3.02Å; S328-Y472 WeakPolarHBondContact CB-O 3.36Å
329	R	28.7	Very low	29.2	Very low	115 Å²	115	76.4 Å²	76.4	43%	0.434	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.5	176.5	-172.3	-176.9	-172.6	161.5	6.1	108.2	D294 S327 D331	D294-R329 IonicContact OD1-NH2 3.29Å; D294-R329 PolarHBondContact OD1-NH2 3.48Å; D294-R329 VanDerWaalsContact OD1-NH2 3.16Å; D294-R329 IonicContact OD2-CZ 2.82Å; D294-R329 VanDerWaalsContact OD2-CZ 3.29Å; D294-R329 IonicContact OD2-NE 3.8Å; D294-R329 PolarHBondContact OD2-NE 3.34Å; D294-R329 IonicContact OD2-NH2 3.6Å; D294-R329 PolarHBondContact OD2-NH2 3.49Å; S327-R329 PolarHBondContact O-N 2.74Å; R329-D331 PolarHBondContact O-N 2.93Å
330	I	32.9	Very low	29.8	Very low	3 Å²	3	76.3 Å²	76.3	2%	0.015	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	103.5	161.8	-56.1	-179.2	0	0	0	105.9	V290 L291 W332 L469 G473	V290-I330 PolarHBondContact O-N 2.66Å; L291-I330 HydrophobicContact CD2-CD1 3.48Å; L291-I330 VanDerWaalsContact CD2-CD1 3.48Å; L291-I330 HydrophobicContact CG-CD1 4.2Å; I330-W332 HydrophobicContact CB-CZ2 4.37Å; I330-W332 HydrophobicContact CG2-CD2 4.01Å; I330-W332 VanDerWaalsContact CG2-CE2 3.41Å; I330-W332 HydrophobicContact CG2-CG 4.32Å; I330-W332 HydrophobicContact CG2-CH2 4.45Å; I330-W332 HydrophobicContact CG2-CZ2 3.69Å; I330-W332 PolarHBondContact O-N 3.44Å; I330-W332 PolarHBondContact O-NE1 2.83Å; I330-L469 HydrophobicContact CD1-CD1 3.98Å; I330-G473 WeakPolarHBondContact CG1-O 3.43Å
331	D	33.7	Very low	30.4	Very low	49 Å²	49	76.1 Å²	76.1	26%	0.262	43%	0.431	S	S	.	.			trans	-83.8	100.7	173.9	-174.5	-8.4	0	0	0	108.9	R329 S333 I334	R329-D331 PolarHBondContact O-N 2.93Å; D331-S333 VanDerWaalsContact CG-OG 3.22Å; D331-S333 PolarHBondContact O-N 3.2Å; D331-S333 WeakPolarHBondContact OD1-CB 3.31Å; D331-S333 PolarHBondContact OD1-N 3.16Å; D331-S333 PolarHBondContact OD1-OG 2.75Å; D331-S333 PolarHBondContact OD2-OG 2.86Å; D331-I334 HydrophobicContact CB-CD1 4.37Å; D331-I334 WeakPolarHBondContact O-CG1 3.03Å; D331-I334 PolarHBondContact O-N 3.33Å
332	W	39.1	Very low	30.9	Very low	26 Å²	26	73.8 Å²	73.8	10%	0.098	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-77.5	-7.1	-177.8	-58.7	75.4	0	0	0	112.6	L291 T292 I330 I334 L335 L347 L450 L467	L291-W332 HydrophobicContact CD2-CZ2 3.94Å; T292-W332 PolarHBondContact O-NE1 2.69Å; I330-W332 HydrophobicContact CB-CZ2 4.37Å; I330-W332 HydrophobicContact CG2-CD2 4.01Å; I330-W332 VanDerWaalsContact CG2-CE2 3.41Å; I330-W332 HydrophobicContact CG2-CG 4.32Å; I330-W332 HydrophobicContact CG2-CH2 4.45Å; I330-W332 HydrophobicContact CG2-CZ2 3.69Å; I330-W332 PolarHBondContact O-N 3.44Å; I330-W332 PolarHBondContact O-NE1 2.83Å; W332-I334 PolarHBondContact O-N 2.74Å; W332-I334 VanDerWaalsContact O-N 3.08Å; W332-L335 HydrophobicContact CB-CD1 4.42Å; W332-L335 HydrophobicContact CD2-CD1 3.95Å; W332-L335 HydrophobicContact CE3-CD1 3.02Å; W332-L335 HydrophobicContact CZ3-CD1 3.51Å; W332-L335 WeakPolarHBondContact O-CB 3.04Å; W332-L335 PolarHBondContact O-N 2.86Å; W332-L347 HydrophobicContact CD2-CD1 4.07Å; W332-L347 HydrophobicContact CE3-CD1 3.85Å; W332-L347 HydrophobicContact CE3-CG 4.18Å; W332-L347 HydrophobicContact CH2-CD1 4.14Å; W332-L347 HydrophobicContact CZ2-CD1 4.27Å; W332-L347 HydrophobicContact CZ3-CD1 3.96Å; W332-L347 HydrophobicContact CZ3-CD2 4.17Å; W332-L347 HydrophobicContact CZ3-CG 4.28Å; W332-L450 HydrophobicContact CH2-CD1 3.32Å; W332-L450 HydrophobicContact CH2-CD2 4.4Å; W332-L450 HydrophobicContact CH2-CG 4.39Å; W332-L450 HydrophobicContact CZ2-CD1 4.06Å; W332-L450 HydrophobicContact CZ3-CD1 4.03Å; W332-L467 HydrophobicContact CZ3-CD2 4.46Å
333	S	31.1	Very low	31.4	Very low	44 Å²	44	74.8 Å²	74.8	31%	0.308	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-58.7	-22.4	170.9	72.7	0	0	0	0	111.7	D331 L335 R336	D331-S333 VanDerWaalsContact CG-OG 3.22Å; D331-S333 PolarHBondContact O-N 3.2Å; D331-S333 WeakPolarHBondContact OD1-CB 3.31Å; D331-S333 PolarHBondContact OD1-N 3.16Å; D331-S333 PolarHBondContact OD1-OG 2.75Å; D331-S333 PolarHBondContact OD2-OG 2.86Å; S333-L335 VanDerWaalsContact C-N 3.32Å; S333-L335 PolarHBondContact O-N 3.45Å; S333-R336 WeakPolarHBondContact O-CB 3.41Å; S333-R336 WeakPolarHBondContact O-CG 3.23Å; S333-R336 PolarHBondContact O-N 2.81Å
334	I	34.1	Very low	31.9	Very low	33 Å²	33	74.8 Å²	74.8	17%	0.169	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-66.5	-31.2	174.6	-56.2	175.5	0	0	0	112	D331 W332 R336 P475 F504	D331-I334 HydrophobicContact CB-CD1 4.37Å; D331-I334 WeakPolarHBondContact O-CG1 3.03Å; D331-I334 PolarHBondContact O-N 3.33Å; W332-I334 PolarHBondContact O-N 2.74Å; W332-I334 VanDerWaalsContact O-N 3.08Å; I334-R336 PolarHBondContact O-N 3.3Å; I334-P475 HydrophobicContact CB-CG 4.13Å; I334-P475 HydrophobicContact CD1-CG 4.03Å; I334-P475 HydrophobicContact CG2-CG 3.83Å; I334-F504 HydrophobicContact CD1-CE1 4.35Å; I334-F504 HydrophobicContact CD1-CZ 4.11Å; I334-F504 HydrophobicContact CG1-CZ 4.05Å
335	L	37	Very low	32.5	Very low	16 Å²	16	74.9 Å²	74.9	8%	0.084	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-76.7	-8.6	177.8	-73.4	154.8	0	0	0	113.4	W332 S333 Q337 E338 I339 L467	W332-L335 HydrophobicContact CB-CD1 4.42Å; W332-L335 HydrophobicContact CD2-CD1 3.95Å; W332-L335 HydrophobicContact CE3-CD1 3.02Å; W332-L335 HydrophobicContact CZ3-CD1 3.51Å; W332-L335 WeakPolarHBondContact O-CB 3.04Å; W332-L335 PolarHBondContact O-N 2.86Å; S333-L335 VanDerWaalsContact C-N 3.32Å; S333-L335 PolarHBondContact O-N 3.45Å; L335-Q337 PolarHBondContact O-N 2.74Å; L335-E338 PolarHBondContact O-N 2.93Å; L335-I339 HydrophobicContact CB-CD1 4.04Å; L335-I339 HydrophobicContact CB-CG1 4.48Å; L335-I339 HydrophobicContact CD2-CD1 4.2Å; L335-I339 PolarHBondContact O-N 3.46Å; L335-L467 HydrophobicContact CD1-CD2 3.77Å; L335-L467 HydrophobicContact CD2-CD1 3.88Å; L335-L467 HydrophobicContact CD2-CD2 3.86Å; L335-L467 HydrophobicContact CD2-CG 4.44Å; L335-L467 HydrophobicContact CG-CD2 4.23Å
336	R	31.5	Very low	33.1	Very low	109 Å²	109	71.1 Å²	71.1	41%	0.411	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-51.2	-28.1	173.4	-76.1	-175.7	-178	-162.7	0.9	113.2	S296 S333 I334 N345	S296-R336 PolarHBondContact OG-NH2 3.43Å; S333-R336 WeakPolarHBondContact O-CB 3.41Å; S333-R336 WeakPolarHBondContact O-CG 3.23Å; S333-R336 PolarHBondContact O-N 2.81Å; I334-R336 PolarHBondContact O-N 3.3Å; R336-N345 HydrophobicContact CG-CB 4.46Å
337	Q	35	Very low	34.2	Very low	94 Å²	94	65.8 Å²	65.8	44%	0.439	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-30.1	-176.4	-70.9	-151.5	-52	0	0	115.2	L335 N497 I500	L335-Q337 PolarHBondContact O-N 2.74Å; Q337-N497 PolarHBondContact NE2-OD1 3.37Å; Q337-N497 VanDerWaalsContact NE2-OD1 3.14Å; Q337-I500 HydrophobicContact CG-CD1 4.05Å
338	E	37	Very low	35.2	Very low	111 Å²	111	64.2 Å²	64.2	52%	0.519	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.6	177.3	-81.4	-169.2	151.7	0	0	112.4	L335 L477	L335-E338 PolarHBondContact O-N 2.93Å; E338-L477 HydrophobicContact CG-CD2 4.16Å
339	I	36	Very low	36.5	Very low	46 Å²	46	67 Å²	67	24%	0.236	35%	0.345	C	S	.	.			trans	-107.5	69.8	-178.4	-47.4	178.4	0	0	0	108.9	L335 D341 L342 W452	L335-I339 HydrophobicContact CB-CD1 4.04Å; L335-I339 HydrophobicContact CB-CG1 4.48Å; L335-I339 HydrophobicContact CD2-CD1 4.2Å; L335-I339 PolarHBondContact O-N 3.46Å; I339-D341 PolarHBondContact O-N 3.41Å; I339-D341 VanDerWaalsContact O-N 3.08Å; I339-L342 HydrophobicContact CG2-CB 3.84Å; I339-L342 HydrophobicContact CG2-CD1 3.46Å; I339-L342 VanDerWaalsContact CG2-CD1 3.46Å; I339-L342 HydrophobicContact CG2-CG 4.13Å; I339-L342 PolarHBondContact O-N 3.47Å; I339-W452 HydrophobicContact CD1-CH2 4.47Å; I339-W452 HydrophobicContact CD1-CZ2 3.92Å
340	S	35.4	Very low	37.7	Very low	101 Å²	101	65.6 Å²	65.6	71%	0.706	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.6	178.4	58.7	0	0	0	0	114.2
341	D	35.5	Very low	38.8	Very low	101 Å²	101	67 Å²	67	54%	0.54	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-3.3	-168.8	-65.5	-0.6	0	0	0	113.5	I339 V343 N456	I339-D341 PolarHBondContact O-N 3.41Å; I339-D341 VanDerWaalsContact O-N 3.08Å; D341-V343 PolarHBondContact O-N 3.42Å; D341-N456 PolarHBondContact OD2-ND2 2.9Å
342	L	33.6	Very low	40.3	Very low	44 Å²	44	67.5 Å²	67.5	23%	0.23	35%	0.354	C	S	.	.			trans	-92	100.1	173.5	-100.2	82.2	0	0	0	110.5	I339 N344 T346	I339-L342 HydrophobicContact CG2-CB 3.84Å; I339-L342 HydrophobicContact CG2-CD1 3.46Å; I339-L342 VanDerWaalsContact CG2-CD1 3.46Å; I339-L342 HydrophobicContact CG2-CG 4.13Å; I339-L342 PolarHBondContact O-N 3.47Å; L342-N344 PolarHBondContact O-N 2.92Å; L342-T346 WeakPolarHBondContact CD2-O 3.26Å
343	V	33.9	Very low	41.4	Very low	137 Å²	137	66.5 Å²	66.5	83%	0.83	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-9.3	-175.9	171.8	0	0	0	0	114.4	D341	D341-V343 PolarHBondContact O-N 3.42Å
344	N	34.9	Very low	43	Very low	119 Å²	119	68.3 Å²	68.3	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	28.6	-177.5	-84.9	-27.6	0	0	0	116.9	L342 T346	L342-N344 PolarHBondContact O-N 2.92Å; N344-T346 PolarHBondContact O-N 3.29Å
345	N	34.3	Very low	44.5	Very low	97 Å²	97	67 Å²	67	52%	0.519	35%	0.35	S	S	.	.	S	Bend	trans	58.2	9.3	167	-68.9	-26	0	0	0	118.1	R336	R336-N345 HydrophobicContact CG-CB 4.46Å
346	T	38	Very low	45.9	Very low	33 Å²	33	66.6 Å²	66.6	20%	0.202	35%	0.348	C	S	.	.	S	Bend	trans	-102.6	152	176.9	52.5	0	0	0	0	109.8	L342 N344 Y349	L342-T346 WeakPolarHBondContact CD2-O 3.26Å; N344-T346 PolarHBondContact O-N 3.29Å; T346-Y349 HydrophobicContact CG2-CE2 4.16Å
347	L	44.6	Very low	47.6	Very low	18 Å²	18	61.8 Å²	61.8	9%	0.094	33%	0.331	C	S	.	.			trans	-48.2	146.7	162	-92.9	142.8	0	0	0	108.8	I293 W332 Y349 I353	I293-L347 HydrophobicContact CD1-CD1 4.16Å; I293-L347 HydrophobicContact CG1-CD1 4.02Å; W332-L347 HydrophobicContact CD2-CD1 4.07Å; W332-L347 HydrophobicContact CE3-CD1 3.85Å; W332-L347 HydrophobicContact CE3-CG 4.18Å; W332-L347 HydrophobicContact CH2-CD1 4.14Å; W332-L347 HydrophobicContact CZ2-CD1 4.27Å; W332-L347 HydrophobicContact CZ3-CD1 3.96Å; W332-L347 HydrophobicContact CZ3-CD2 4.17Å; W332-L347 HydrophobicContact CZ3-CG 4.28Å; L347-Y349 PolarHBondContact O-N 2.79Å; L347-I353 HydrophobicContact CD1-CD1 4.38Å; L347-I353 HydrophobicContact CD2-CD1 3.63Å; L347-I353 HydrophobicContact CD2-CG1 4.47Å
348	P	47.3	Very low	48.9	Very low	34 Å²	34	58.1 Å²	58.1	22%	0.221	32%	0.315	C	S	.	.			trans	-60.5	112	170.1	27	-31.4	0	0	0	107	V351	P348-V351 HydrophobicContact CB-CB 4.4Å; P348-V351 HydrophobicContact CB-CG2 3.62Å; P348-V351 HydrophobicContact CG-CB 4.05Å; P348-V351 HydrophobicContact CG-CG2 3.7Å; P348-V351 PolarHBondContact O-N 2.91Å
349	Y	52.1	Low	50.1	Low	76 Å²	76	53 Å²	53	30%	0.298	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	152	172.1	-66.1	-77	0	0	0	109.1	S264 T346 L347 V351	S264-Y349 VanDerWaalsContact CA-CD1 3.46Å; T346-Y349 HydrophobicContact CG2-CE2 4.16Å; L347-Y349 PolarHBondContact O-N 2.79Å; Y349-V351 PolarHBondContact O-N 3.07Å
350	D	54.3	Low	51.1	Low	86 Å²	86	54.3 Å²	54.3	46%	0.46	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	18.4	178.1	-47.3	-39.6	0	0	0	114.5	Q261 F262 L263 S264	Q261-D350 VanDerWaalsContact NE2-C 3.26Å; Q261-D350 PolarHBondContact NE2-O 3.47Å; F262-D350 PolarHBondContact O-N 3.41Å; L263-D350 WeakPolarHBondContact CA-OD1 3.23Å; L263-D350 WeakPolarHBondContact CD2-OD1 3.31Å; S264-D350 PolarHBondContact N-OD1 2.93Å
351	V	56.9	Low	51.8	Low	32 Å²	32	50.6 Å²	50.6	19%	0.194	27%	0.267	C	S	.	.			trans	-101.1	133.9	171.8	179.7	0	0	0	0	111.3	P348 Y349 W452	P348-V351 HydrophobicContact CB-CB 4.4Å; P348-V351 HydrophobicContact CB-CG2 3.62Å; P348-V351 HydrophobicContact CG-CB 4.05Å; P348-V351 HydrophobicContact CG-CG2 3.7Å; P348-V351 PolarHBondContact O-N 2.91Å; Y349-V351 PolarHBondContact O-N 3.07Å; V351-W452 HydrophobicContact CG1-CB 3.99Å
352	W	64.1	Low	52.2	Low	61 Å²	61	49.1 Å²	49.1	23%	0.231	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.4	171.4	-71.2	104.3	0	0	0	111.3	F165 K259 Q261 C427 D429	F165-W352 HydrophobicContact CB-CH2 4.27Å; F165-W352 HydrophobicContact CD1-CH2 4.38Å; F165-W352 HydrophobicContact CD1-CZ2 4.12Å; F165-W352 HydrophobicContact CD2-CH2 4.13Å; F165-W352 HydrophobicContact CD2-CZ2 4.34Å; F165-W352 HydrophobicContact CE1-CZ2 4.21Å; F165-W352 HydrophobicContact CE2-CZ2 4.43Å; F165-W352 HydrophobicContact CG-CH2 4.02Å; F165-W352 HydrophobicContact CG-CZ2 4.18Å; F165-W352 HydrophobicContact CZ-CZ2 4.36Å; K259-W352 HydrophobicContact CD-CE3 4.24Å; K259-W352 HydrophobicContact CG-CB 4.44Å; K259-W352 HydrophobicContact CG-CD2 4.18Å; K259-W352 HydrophobicContact CG-CE3 3.51Å; K259-W352 HydrophobicContact CG-CZ3 4.11Å; Q261-W352 HydrophobicContact CB-CD2 3.82Å; Q261-W352 HydrophobicContact CB-CE3 3.57Å; Q261-W352 HydrophobicContact CB-CH2 4.08Å; Q261-W352 HydrophobicContact CB-CZ2 4.28Å; Q261-W352 HydrophobicContact CB-CZ3 3.73Å; W352-C427 HydrophobicContact CH2-CB 4.32Å; W352-D429 HydrophobicContact CE3-CB 4.36Å; W352-D429 HydrophobicContact CH2-CB 3.62Å; W352-D429 HydrophobicContact CZ2-CB 4.39Å; W352-D429 HydrophobicContact CZ3-CB 3.59Å
353	I	62.7	Low	52.4	Low	5 Å²	5	51.3 Å²	51.3	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.2	179.6	-54.9	166.7	0	0	0	108	I260 F262 L347 V355 L450 W452	I260-I353 PolarHBondContact N-O 2.8Å; I260-I353 PolarHBondContact O-N 3.19Å; F262-I353 HydrophobicContact CD2-CD1 3.69Å; F262-I353 HydrophobicContact CE2-CD1 3.74Å; L347-I353 HydrophobicContact CD1-CD1 4.38Å; L347-I353 HydrophobicContact CD2-CD1 3.63Å; L347-I353 HydrophobicContact CD2-CG1 4.47Å; I353-V355 HydrophobicContact CG2-CG2 4.13Å; I353-L450 HydrophobicContact CG2-CB 4.5Å; I353-L450 HydrophobicContact CG2-CD2 3.82Å; I353-W452 HydrophobicContact CG1-CB 4.34Å
354	N	64.5	Low	52.3	Low	82 Å²	82	48.8 Å²	48.8	44%	0.439	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.9	172.5	-69.9	-21.1	0	0	0	109.3	K259 I451	K259-N354 WeakPolarHBondContact CG-OD1 3.4Å; N354-I451 HydrophobicContact CB-CB 4.49Å; N354-I451 PolarHBondContact N-O 3.15Å; N354-I451 PolarHBondContact O-N 2.92Å; N354-I451 VanDerWaalsContact O-N 3.07Å
355	V	66.3	Low	52	Low	5 Å²	5	47.8 Å²	47.8	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.2	-179.7	-164.9	0	0	0	0	109.1	Q257 L258 I260 L291 I353 M357 L450	Q257-V355 CarbonylContact C-O 3.57Å; Q257-V355 VanDerWaalsContact CA-O 3.31Å; Q257-V355 WeakPolarHBondContact CA-O 3.3Å; L258-V355 PolarHBondContact N-O 3.45Å; L258-V355 PolarHBondContact O-N 3.18Å; I260-V355 HydrophobicContact CD1-CG2 3.8Å; I260-V355 HydrophobicContact CG1-CG2 4.29Å; L291-V355 HydrophobicContact CD1-CG1 4.43Å; L291-V355 HydrophobicContact CD1-CG2 4.1Å; I353-V355 HydrophobicContact CG2-CG2 4.13Å; V355-M357 HydrophobicContact CG1-CE 3.61Å; V355-M357 HydrophobicContact CG1-CG 4.16Å; V355-L450 HydrophobicContact CB-CD2 4.22Å; V355-L450 HydrophobicContact CG1-CD2 3.89Å; V355-L450 HydrophobicContact CG2-CD2 3.71Å
356	S	67	Low	51.7	Low	8 Å²	8	47.9 Å²	47.9	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.8	172.4	54.3	0	0	0	0	111.5	L256 Q447 S448 K449	L256-S356 CarbonylContact O-C 3.57Å; L256-S356 WeakPolarHBondContact O-CA 3.32Å; S356-Q447 PolarHBondContact OG-O 2.81Å; S356-S448 WeakPolarHBondContact O-CA 3.27Å; S356-K449 PolarHBondContact N-O 3.33Å; S356-K449 WeakPolarHBondContact OG-CG 3.45Å
357	M	65.7	Low	51.2	Low	8 Å²	8	51 Å²	51	4%	0.039	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.7	-174.2	-62.9	-174.6	174.7	0	0	112.1	L256 L278 I287 N289 L291 V355 C446	L256-M357 HydrophobicContact CB-CB 4.48Å; L256-M357 PolarHBondContact N-O 3.37Å; L256-M357 PolarHBondContact O-N 3.31Å; L278-M357 HydrophobicContact CD1-CE 3.91Å; L278-M357 HydrophobicContact CD1-SD 3.66Å; I287-M357 HydrophobicContact CG2-CB 4.46Å; I287-M357 HydrophobicContact CG2-SD 4.03Å; N289-M357 HydrophobicContact CB-CE 3.22Å; N289-M357 HydrophobicContact CB-SD 3.75Å; N289-M357 WeakPolarHBondContact ND2-CE 3.31Å; N289-M357 WeakPolarHBondContact ND2-CG 3.23Å; N289-M357 PolarHBondContact ND2-SD 3.02Å; L291-M357 HydrophobicContact CD1-CE 4.48Å; V355-M357 HydrophobicContact CG1-CE 3.61Å; V355-M357 HydrophobicContact CG1-CG 4.16Å; M357-C446 VanDerWaalsContact C-SG 3.54Å; M357-C446 PolarHBondContact O-SG 2.73Å; M357-C446 VanDerWaalsContact O-SG 3.42Å
358	P	62.6	Low	50.3	Low	17 Å²	17	56.9 Å²	56.9	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.2	174.6	25.1	-29.2	0	0	0	112.7	P252 Y360 C446	P252-P358 HydrophobicContact CB-CB 3.61Å; P252-P358 HydrophobicContact CG-CB 4.14Å; P358-Y360 HydrophobicContact CB-CE2 3.8Å; P358-Y360 HydrophobicContact CG-CE2 3.79Å; P358-C446 VanDerWaalsContact CA-SG 3.53Å
359	I	62.2	Low	49.4	Very low	4 Å²	4	63.3 Å²	63.3	2%	0.021	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.6	172.8	-57.9	-177.2	0	0	0	108.8	P252 I253 A254 L280 I287 L433	P252-I359 CarbonylContact C-O 3.6Å; P252-I359 WeakPolarHBondContact CA-O 2.84Å; I253-I359 HydrophobicContact CG1-CG2 4.35Å; I253-I359 VanDerWaalsContact CG1-O 3.31Å; I253-I359 WeakPolarHBondContact CG1-O 3.34Å; I253-I359 PolarHBondContact N-O 3.11Å; A254-I359 HydrophobicContact CB-CB 4.05Å; A254-I359 HydrophobicContact CB-CD1 4.22Å; A254-I359 HydrophobicContact CB-CG1 4.46Å; A254-I359 PolarHBondContact N-O 3.12Å; A254-I359 PolarHBondContact O-N 2.66Å; L280-I359 HydrophobicContact CD2-CD1 3.88Å; I287-I359 HydrophobicContact CD1-CD1 3.75Å; I287-I359 HydrophobicContact CD1-CG1 3.59Å; I287-I359 HydrophobicContact CG1-CG1 4.48Å; I359-L433 HydrophobicContact CD1-CD1 3.54Å
360	Y	57.5	Low	48.2	Very low	73 Å²	73	66.9 Å²	66.9	29%	0.286	37%	0.369	S	S	.	.			trans	-108.9	147.8	-178.5	-63.7	-86.2	0	0	0	111.3	Y251 P252 P358 T362	Y251-Y360 WeakPolarHBondContact O-CD1 3.46Å; P252-Y360 HydrophobicContact CB-CD1 4.49Å; P252-Y360 HydrophobicContact CB-CE1 4.23Å; P358-Y360 HydrophobicContact CB-CE2 3.8Å; P358-Y360 HydrophobicContact CG-CE2 3.79Å; Y360-T362 PolarHBondContact O-N 3.19Å
361	P	49.2	Very low	46.8	Very low	23 Å²	23	68 Å²	68	15%	0.149	38%	0.379	C	S	.	.			trans	-68.9	119.8	174	27.7	-29.9	0	0	0	109.3	F247 I253	F247-P361 HydrophobicContact CB-CG 4.26Å; F247-P361 HydrophobicContact CD1-CB 4.19Å; F247-P361 HydrophobicContact CD1-CG 4.17Å; F247-P361 HydrophobicContact CG-CB 4.36Å; F247-P361 HydrophobicContact CG-CG 4.39Å; I253-P361 HydrophobicContact CD1-CB 4.29Å; I253-P361 HydrophobicContact CG2-CB 4.34Å; I253-P361 HydrophobicContact CG2-CG 4.02Å
362	T	45.5	Very low	45.2	Very low	70 Å²	70	72.1 Å²	72.1	43%	0.429	41%	0.406	S	S	.	.			trans	-98.3	125.5	170.7	57.3	0	0	0	0	109.4	Q285 Y360 I364	Q285-T362 HydrophobicContact CG-CG2 4.42Å; Q285-T362 WeakPolarHBondContact CG-OG1 3.46Å; Y360-T362 PolarHBondContact O-N 3.19Å; T362-I364 PolarHBondContact O-N 3.3Å
363	T	36.5	Very low	43.4	Very low	89 Å²	89	73.9 Å²	73.9	55%	0.546	43%	0.426	S	S	.	.			trans	-70.1	110.1	163.9	49.2	0	0	0	0	108.2	F247 P365	F247-T363 HydrophobicContact CD2-CG2 3.48Å; F247-T363 VanDerWaalsContact CD2-CG2 3.48Å; F247-T363 HydrophobicContact CE2-CG2 4.04Å; T363-P365 WeakPolarHBondContact O-CD 3.31Å
364	I	32.7	Very low	41.7	Very low	84 Å²	84	78.4 Å²	78.4	43%	0.431	46%	0.456	S	S	.	.			trans	-79.2	112.8	161.7	-56.8	162.1	0	0	0	104.6	N283 T362 T366	N283-I364 HydrophobicContact CB-CD1 3.6Å; T362-I364 PolarHBondContact O-N 3.3Å; I364-T366 PolarHBondContact O-N 3.45Å; I364-T366 VanDerWaalsContact O-N 3.12Å
365	P	28.7	Very low	39.8	Very low	98 Å²	98	81.9 Å²	81.9	64%	0.636	47%	0.473	S	S	*	.			trans	-63.7	116.6	159.7	26.3	-28.1	0	0	0	105.9	T363 T367	T363-P365 WeakPolarHBondContact O-CD 3.31Å; P365-T367 PolarHBondContact O-N 2.89Å
366	T	27.6	Very low	37.8	Very low	100 Å²	100	91.9 Å²	91.9	61%	0.613	51%	0.512	S	S	*	.			trans	-58.5	83.2	167.6	35.6	0	0	0	0	108.2	I364 D368	I364-T366 PolarHBondContact O-N 3.45Å; I364-T366 VanDerWaalsContact O-N 3.12Å; T366-D368 PolarHBondContact O-N 3.15Å
367	T	26.6	Very low	35.8	Very low	97 Å²	97	97.8 Å²	97.8	60%	0.595	54%	0.543	S	S	*	.			trans	-76.6	111.6	170.4	42.6	0	0	0	0	107.4	P365 L369	P365-T367 PolarHBondContact O-N 2.89Å; T367-L369 PolarHBondContact O-N 2.96Å
368	D	26	Very low	33.8	Very low	142 Å²	142	106 Å²	106	76%	0.759	58%	0.581	S	S	*	*			trans	-38.7	134.7	169.7	-94.4	-37.8	0	0	0	111.4	T366 N370	T366-D368 PolarHBondContact O-N 3.15Å; D368-N370 PolarHBondContact O-N 2.84Å
369	L	29.6	Very low	32	Very low	170 Å²	170	109.5 Å²	109.5	89%	0.89	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-0.8	-163.8	-155.1	72.3	0	0	0	115.7	T367	T367-L369 PolarHBondContact O-N 2.96Å
370	N	25.6	Very low	30.3	Very low	150 Å²	150	117 Å²	117	80%	0.802	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	13.5	-166.9	-71.9	-17.3	0	0	0	116.1	D368	D368-N370 PolarHBondContact O-N 2.84Å
371	T	24.7	Very low	28.9	Very low	110 Å²	110	121.5 Å²	121.5	68%	0.675	67%	0.666	S	S	*	*	S	Bend	trans	-132.2	126.8	168.3	32.3	0	0	0	0	112.3
372	P	25	Very low	27.9	Very low	118 Å²	118	127.1 Å²	127.1	77%	0.766	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-63.7	142.1	-179	25.9	-30.8	0	0	0	109.9
373	P	26.4	Very low	27	Very low	98 Å²	98	133.1 Å²	133.1	64%	0.636	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.7	131.1	-164.9	25.4	-33	0	0	0	110.5	L375	P373-L375 PolarHBondContact O-N 2.77Å; P373-L375 VanDerWaalsContact O-N 3.08Å
374	P	25	Very low	26.6	Very low	101 Å²	101	135.2 Å²	135.2	66%	0.656	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-64.5	118	173.6	26.1	-29.7	0	0	0	107.6	Y376	P374-Y376 PolarHBondContact O-N 2.89Å
375	L	24.6	Very low	26.3	Very low	155 Å²	155	137.9 Å²	137.9	81%	0.812	72%	0.72	S	S	*	*			trans	-48.3	104.2	172.9	-106.1	83.6	0	0	0	108.8	P373 N377	P373-L375 PolarHBondContact O-N 2.77Å; P373-L375 VanDerWaalsContact O-N 3.08Å; L375-N377 PolarHBondContact O-N 3.25Å
376	Y	25	Very low	26.2	Very low	215 Å²	215	142.2 Å²	142.2	84%	0.843	73%	0.725	S	S	*	*			trans	-74.2	78.9	168.8	-108	-92.2	0	0	0	108.1	P374	P374-Y376 PolarHBondContact O-N 2.89Å
377	N	24.5	Very low	26.2	Very low	132 Å²	132	145.4 Å²	145.4	71%	0.706	74%	0.735	S	S	*	*			trans	-136	123.6	161.5	-122.5	-10.7	0	0	0	107.5	L375	L375-N377 PolarHBondContact O-N 3.25Å
378	Q	23.4	Very low	26.4	Very low	180 Å²	180	148.8 Å²	148.8	84%	0.841	74%	0.744	S	S	*	*	S	Bend	trans	76.5	71	173.7	-55.8	-179.9	-13.6	0	0	118.9
379	T	25.1	Very low	26.4	Very low	90 Å²	90	148.4 Å²	148.4	55%	0.552	74%	0.741	S	S	*	*			trans	-141.4	34.6	152.7	44.7	0	0	0	0	114	H381	T379-H381 PolarHBondContact O-N 2.85Å
380	N	27.2	Very low	26.3	Very low	161 Å²	161	146.8 Å²	146.8	86%	0.861	73%	0.734	S	S	*	*	S	Bend	trans	-76.3	-1.1	158.1	-99.8	1.4	0	0	0	113.1
381	H	27.8	Very low	26.4	Very low	169 Å²	169	147.5 Å²	147.5	78%	0.782	74%	0.738	S	S	*	*	S	Bend	trans	-99	-15.2	174	-90.3	-58.2	0	0	0	115.1	T379	T379-H381 PolarHBondContact O-N 2.85Å
382	Y	27.7	Very low	26.6	Very low	140 Å²	140	147.3 Å²	147.3	55%	0.549	74%	0.736	S	S	.	*	S	Bend	trans	-89.5	-16	-177.6	-107.2	-80.3	0	0	0	114.8	N384 Y386	Y382-N384 VanDerWaalsContact C-N 3.33Å; Y382-N384 PolarHBondContact O-N 2.77Å; Y382-Y386 AromaticContact CD1-CD2 3.76Å; Y382-Y386 HydrophobicContact CD1-CD2 3.76Å; Y382-Y386 AromaticContact CD1-CE2 3.63Å; Y382-Y386 HydrophobicContact CD1-CE2 3.63Å; Y382-Y386 HydrophobicContact CE1-CD2 4.18Å; Y382-Y386 AromaticContact CE1-CE2 3.67Å; Y382-Y386 HydrophobicContact CE1-CE2 3.67Å
383	Y	27.2	Very low	27	Very low	197 Å²	197	151 Å²	151	77%	0.773	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-23.2	-178.5	-147.5	-92.6	0	0	0	113.6
384	N	27.4	Very low	27.4	Very low	132 Å²	132	151.3 Å²	151.3	71%	0.706	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-12.8	179.8	-71.5	-13	0	0	0	114	Y382	Y382-N384 VanDerWaalsContact C-N 3.33Å; Y382-N384 PolarHBondContact O-N 2.77Å
385	Q	27	Very low	27.4	Very low	141 Å²	141	151.1 Å²	151.1	66%	0.659	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-16.7	-177.6	-154.3	166.9	1.6	0	0	113.7	M387	Q385-M387 VanDerWaalsContact C-N 3.34Å
386	Y	27.5	Very low	27.7	Very low	189 Å²	189	151.6 Å²	151.6	74%	0.741	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-4.5	177.1	-98.8	-77.3	0	0	0	115.1	Y382	Y382-Y386 AromaticContact CD1-CD2 3.76Å; Y382-Y386 HydrophobicContact CD1-CD2 3.76Å; Y382-Y386 AromaticContact CD1-CE2 3.63Å; Y382-Y386 HydrophobicContact CD1-CE2 3.63Å; Y382-Y386 HydrophobicContact CE1-CD2 4.18Å; Y382-Y386 AromaticContact CE1-CE2 3.67Å; Y382-Y386 HydrophobicContact CE1-CE2 3.67Å
387	M	26.6	Very low	27.9	Very low	167 Å²	167	148 Å²	148	82%	0.823	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-4.9	177.3	-77.7	-69.3	176.1	0	0	114.1	Q385	Q385-M387 VanDerWaalsContact C-N 3.34Å
388	E	30.9	Very low	27.9	Very low	168 Å²	168	149.7 Å²	149.7	79%	0.785	74%	0.739	S	S	*	*	S	Bend	trans	-105.2	-13.2	-175.4	-93.6	-174.4	161.4	0	0	116.7
389	D	25.9	Very low	28.2	Very low	133 Å²	133	148.4 Å²	148.4	71%	0.711	73%	0.733	S	S	*	*	S	Bend	trans	-133.9	119.1	-178.7	-79	-41.3	0	0	0	114.5
390	N	27.1	Very low	28.3	Very low	136 Å²	136	151 Å²	151	73%	0.727	74%	0.743	S	S	*	*			trans	93.7	87.2	155.4	-53.8	-42.6	0	0	0	118.5	V392	N390-V392 PolarHBondContact O-N 3.32Å; N390-V392 VanDerWaalsContact O-N 3.08Å
391	N	28.4	Very low	28.2	Very low	166 Å²	166	148.4 Å²	148.4	89%	0.888	73%	0.733	S	S	*	*				10.9	86	123.4	-68.9	-21.6	0	0	0	116
392	V	28.2	Very low	28.1	Very low	106 Å²	106	147.3 Å²	147.3	64%	0.642	73%	0.732	S	S	*	*			trans	-147.4	112.8	149.6	-167.5	0	0	0	0	108.3	N390 T394	N390-V392 PolarHBondContact O-N 3.32Å; N390-V392 VanDerWaalsContact O-N 3.08Å; V392-T394 HydrophobicContact CG1-CG2 4.3Å; V392-T394 WeakPolarHBondContact CG1-OG1 3.47Å; V392-T394 PolarHBondContact O-N 2.85Å
393	E	34.5	Very low	28	Very low	194 Å²	194	147 Å²	147	91%	0.907	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	37	178.7	-65.4	176.2	132.2	0	0	114.5
394	T	33.5	Very low	28	Very low	106 Å²	106	146.3 Å²	146.3	65%	0.65	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	5.2	-176.9	51.6	0	0	0	0	115.4	V392	V392-T394 HydrophobicContact CG1-CG2 4.3Å; V392-T394 WeakPolarHBondContact CG1-OG1 3.47Å; V392-T394 PolarHBondContact O-N 2.85Å
395	S	26.4	Very low	28	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	74%	0.739	S	S	*	*	S	Bend	trans	-86.5	-4.1	173	72.6	0	0	0	0	114.6	N397	S395-N397 VanDerWaalsContact C-N 3.34Å; S395-N397 PolarHBondContact O-N 3.05Å
396	Q	30.8	Very low	28.2	Very low	166 Å²	166	142 Å²	142	78%	0.776	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-14.6	-177.3	-121.2	158.8	-8.7	0	0	114.4
397	N	29.1	Very low	28.4	Very low	138 Å²	138	135 Å²	135	74%	0.738	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-0.5	-180	-73.6	-4.6	0	0	0	114.6	S395	S395-N397 VanDerWaalsContact C-N 3.34Å; S395-N397 PolarHBondContact O-N 3.05Å
398	F	25.2	Very low	28.7	Very low	168 Å²	168	132 Å²	132	74%	0.737	68%	0.683	S	S	*	*	S	Bend	trans	-90.3	-0.8	179.9	-110.8	-80.9	0	0	0	114.4
399	H	28.2	Very low	29.1	Very low	154 Å²	154	128.2 Å²	128.2	71%	0.713	66%	0.662	S	S	*	*	S	Bend	trans	-93.8	-9.6	178.6	-81.1	-42.8	0	0	0	115.2
400	D	27.5	Very low	29.5	Very low	144 Å²	144	124.1 Å²	124.1	77%	0.77	64%	0.641	S	S	*	*	S	Bend	trans	-97.3	-2.2	-173.7	-72.8	-11.4	0	0	0	115
401	T	25.3	Very low	30.2	Very low	106 Å²	106	119.4 Å²	119.4	65%	0.65	62%	0.621	S	S	*	*			trans	-121.7	21.7	179.5	49.4	0	0	0	0	114.6	I403	T401-I403 PolarHBondContact O-N 2.61Å
402	L	25.9	Very low	30.8	Very low	146 Å²	146	116.2 Å²	116.2	76%	0.764	60%	0.602	S	S	*	*			trans	-77	81.4	162	-98.9	148	0	0	0	108.8	E404	L402-E404 PolarHBondContact O-N 3.45Å
403	I	24.5	Very low	31.9	Very low	134 Å²	134	116.3 Å²	116.3	69%	0.687	60%	0.599	S	S	*	*			trans	-47.8	123	172.8	-66.3	167.6	0	0	0	109.2	T401 Q405	T401-I403 PolarHBondContact O-N 2.61Å; I403-Q405 PolarHBondContact O-N 3.16Å
404	E	28.9	Very low	32.8	Very low	183 Å²	183	108.9 Å²	108.9	86%	0.855	57%	0.567	S	S	*	*			trans	-52.5	98.3	-179.2	-71.1	175	135.3	0	0	112.3	L402 S406	L402-E404 PolarHBondContact O-N 3.45Å; E404-S406 PolarHBondContact O-N 2.56Å
405	Q	25.9	Very low	34.1	Very low	133 Å²	133	107 Å²	107	62%	0.621	56%	0.555	S	S	*	*			trans	-81	104.8	165.8	-79.3	-179.6	-18.1	0	0	108.9	I403 D407	I403-Q405 PolarHBondContact O-N 3.16Å; Q405-D407 PolarHBondContact O-N 2.93Å; Q405-D407 VanDerWaalsContact O-N 3.12Å
406	S	31.2	Very low	36	Very low	50 Å²	50	103.3 Å²	103.3	35%	0.35	53%	0.528	S	S	.	.			trans	-80.3	93.5	176.2	114.4	0	0	0	0	108.5	K242 E404 H408	K242-S406 VanDerWaalsContact NZ-C 3.26Å; K242-S406 PolarHBondContact NZ-O 3.47Å; K242-S406 PolarHBondContact NZ-OG 3.31Å; E404-S406 PolarHBondContact O-N 2.56Å; S406-H408 PolarHBondContact O-N 2.94Å; S406-H408 PolarHBondContact OG-NE2 2.82Å
407	D	32.2	Very low	37.7	Very low	42 Å²	42	100.1 Å²	100.1	23%	0.225	51%	0.512	C	S	.	.			trans	-69.7	128.6	176.9	-72.4	-5	0	0	0	110.2	I196 H198 K242 Q405	I196-D407 HydrophobicContact CG2-CB 3.73Å; H198-D407 IonicContact CE1-OD1 3.23Å; H198-D407 PolarHBondContact CE1-OD1 2.85Å; H198-D407 VanDerWaalsContact CE1-OD1 3.23Å; H198-D407 IonicContact CE1-OD2 3.49Å; H198-D407 PolarHBondContact CE1-OD2 3.31Å; H198-D407 IonicContact CG-OD1 3.86Å; H198-D407 IonicContact ND1-OD1 2.67Å; H198-D407 PolarHBondContact ND1-OD1 3.31Å; H198-D407 IonicContact ND1-OD2 3.79Å; K242-D407 PolarHBondContact NZ-O 3.12Å; Q405-D407 PolarHBondContact O-N 2.93Å; Q405-D407 VanDerWaalsContact O-N 3.12Å
408	H	32.6	Very low	39.8	Very low	103 Å²	103	93.7 Å²	93.7	48%	0.477	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.9	171.4	-73.3	-73.3	0	0	0	109.3	I197 K242 S406	I197-H408 PolarHBondContact N-O 3.36Å; I197-H408 PolarHBondContact O-N 3.21Å; K242-H408 PolarHBondContact NZ-CE1 2.91Å; K242-H408 PolarHBondContact NZ-ND1 3.37Å; K242-H408 PolarHBondContact NZ-NE2 3.41Å; K242-H408 VanDerWaalsContact NZ-NE2 3.2Å; S406-H408 PolarHBondContact O-N 2.94Å; S406-H408 PolarHBondContact OG-NE2 2.82Å
409	W	39.4	Very low	41.8	Very low	88 Å²	88	87.3 Å²	87.3	33%	0.333	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.2	173.6	-63.7	79.7	0	0	0	108.8	Y195 I196 Y245 F247	Y195-W409 CarbonylContact O-C 3.51Å; Y195-W409 WeakPolarHBondContact O-CA 3.29Å; I196-W409 HydrophobicContact CD1-CH2 3.48Å; I196-W409 VanDerWaalsContact CD1-CH2 3.48Å; I196-W409 HydrophobicContact CD1-CZ2 3.67Å; I196-W409 HydrophobicContact CD1-CZ3 3.94Å; I196-W409 HydrophobicContact CG1-CD2 3.97Å; I196-W409 HydrophobicContact CG1-CE3 3.75Å; I196-W409 HydrophobicContact CG1-CH2 3.65Å; I196-W409 HydrophobicContact CG1-CZ2 3.84Å; I196-W409 HydrophobicContact CG1-CZ3 3.6Å; Y245-W409 HydrophobicContact CD2-CZ2 4.23Å; Y245-W409 AromaticContact CD2-NE1 3.47Å; Y245-W409 AromaticContact CE2-NE1 3.63Å; F247-W409 AromaticContact CE2-CH2 3.78Å; F247-W409 HydrophobicContact CE2-CH2 3.78Å; F247-W409 HydrophobicContact CE2-CZ2 4.17Å; F247-W409 AromaticContact CZ-CH2 3.93Å; F247-W409 HydrophobicContact CZ-CH2 3.93Å; F247-W409 HydrophobicContact CZ-CZ2 4.2Å
410	V	34.7	Very low	43.8	Very low	47 Å²	47	80 Å²	80	29%	0.285	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.3	171	179.8	0	0	0	0	108	Y194 Y195 I197 M412	Y194-V410 WeakPolarHBondContact CA-O 3.39Å; Y195-V410 PolarHBondContact N-O 3.38Å; Y195-V410 PolarHBondContact O-N 3.42Å; I197-V410 HydrophobicContact CD1-CB 4.12Å; I197-V410 HydrophobicContact CD1-CG2 3.42Å; I197-V410 VanDerWaalsContact CD1-CG2 3.42Å; I197-V410 HydrophobicContact CG1-CB 4.49Å; I197-V410 HydrophobicContact CG1-CG2 3.96Å; V410-M412 HydrophobicContact CG1-CE 3.95Å; V410-M412 HydrophobicContact CG1-CG 4.11Å
411	A	42.7	Very low	45.7	Very low	37 Å²	37	76 Å²	76	31%	0.306	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.3	168.8	0	0	0	0	0	108.4	Y194	Y194-A411 HydrophobicContact CD1-CB 3.5Å; Y194-A411 VanDerWaalsContact CD1-CB 3.5Å; Y194-A411 HydrophobicContact CE1-CB 3.18Å; Y194-A411 HydrophobicContact CG-CB 4.42Å
412	M	39.5	Very low	47.7	Very low	99 Å²	99	70.9 Å²	70.9	49%	0.488	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.3	168.1	-65.2	-171.8	177.4	0	0	108.2	T193 Y195 V410 T414	T193-M412 PolarHBondContact N-O 3.19Å; T193-M412 PolarHBondContact O-N 3.21Å; Y195-M412 HydrophobicContact CD2-CG 4.46Å; Y195-M412 HydrophobicContact CD2-SD 4.39Å; Y195-M412 HydrophobicContact CE2-CB 4.45Å; Y195-M412 HydrophobicContact CE2-SD 4.26Å; V410-M412 HydrophobicContact CG1-CE 3.95Å; V410-M412 HydrophobicContact CG1-CG 4.11Å; M412-T414 HydrophobicContact CB-CG2 4.14Å; M412-T414 PolarHBondContact O-N 3.29Å
413	D	51.2	Low	49.5	Very low	108 Å²	108	64.9 Å²	64.9	58%	0.578	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	108.7	169.5	-71.3	-25	0	0	0	108.4
414	T	53.5	Low	51.4	Low	38 Å²	38	60.3 Å²	60.3	23%	0.233	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.2	-179.9	58.9	0	0	0	0	109.3	W191 T193 M412 Q416	W191-T414 CarbonylContact C-O 3.54Å; W191-T414 PolarHBondContact N-O 2.82Å; W191-T414 PolarHBondContact O-N 3.35Å; W191-T414 PolarHBondContact O-OG1 2.85Å; T193-T414 WeakPolarHBondContact CB-OG1 3.04Å; T193-T414 PolarHBondContact OG1-OG1 3.15Å; M412-T414 HydrophobicContact CB-CG2 4.14Å; M412-T414 PolarHBondContact O-N 3.29Å; T414-Q416 PolarHBondContact O-N 3.11Å
415	T	61.2	Low	53.3	Low	66 Å²	66	53 Å²	53	41%	0.405	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	110.9	169.6	-48.6	0	0	0	0	108.6	P188 H190	P188-T415 HydrophobicContact CB-CG2 3.47Å; P188-T415 VanDerWaalsContact CB-CG2 3.47Å; H190-T415 PolarHBondContact CE1-OG1 2.84Å
416	Q	65.8	Low	55.4	Low	19 Å²	19	46.7 Å²	46.7	9%	0.089	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	159.5	170.5	-64.2	-165.1	14	0	0	109.9	P188 I189 W191 T193 T414	P188-Q416 CarbonylContact C-O 3.55Å; P188-Q416 WeakPolarHBondContact CA-O 3.33Å; I189-Q416 PolarHBondContact N-O 3.49Å; I189-Q416 PolarHBondContact O-N 2.87Å; I189-Q416 VanDerWaalsContact O-O 3.08Å; W191-Q416 HydrophobicContact CB-CB 4.24Å; W191-Q416 HydrophobicContact CB-CG 4.06Å; T193-Q416 PolarHBondContact OG1-NE2 2.81Å; T414-Q416 PolarHBondContact O-N 3.11Å
417	F	67.8	Low	57.3	Low	100 Å²	100	44.3 Å²	44.3	44%	0.439	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.5	177.1	-65.7	-83.7	0	0	0	110.8	K186 L187 P188 G281 S419	K186-F417 HydrophobicContact CB-CD1 4.39Å; L187-F417 CarbonylContact O-C 3.49Å; L187-F417 WeakPolarHBondContact O-CA 3.41Å; P188-F417 HydrophobicContact CB-CD1 4.12Å; P188-F417 HydrophobicContact CB-CE1 3.85Å; G281-F417 PolarHBondContact N-O 2.89Å; F417-S419 PolarHBondContact O-N 3.39Å
418	L	72.9	Confident	59.3	Low	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.2	161	176.5	66.6	0	0	0	107.8	K186 L187 I189 L256 S279 L280 I420 I431	K186-L418 CarbonylContact C-O 3.57Å; K186-L418 VanDerWaalsContact CA-O 3.3Å; K186-L418 WeakPolarHBondContact CA-O 3.23Å; L187-L418 HydrophobicContact CB-CB 4.47Å; L187-L418 PolarHBondContact N-O 3.43Å; L187-L418 PolarHBondContact O-N 3.48Å; I189-L418 HydrophobicContact CD1-CB 3.52Å; I189-L418 HydrophobicContact CD1-CD2 3.92Å; I189-L418 HydrophobicContact CD1-CG 4.31Å; I189-L418 HydrophobicContact CG1-CB 4.18Å; L256-L418 HydrophobicContact CD1-CD2 4.2Å; L256-L418 HydrophobicContact CD2-CD1 4.16Å; S279-L418 CarbonylContact O-C 3.48Å; S279-L418 WeakPolarHBondContact O-CA 3.21Å; L280-L418 HydrophobicContact CD1-CB 3.99Å; L280-L418 HydrophobicContact CD1-CD1 4.34Å; L418-I420 HydrophobicContact CD2-CD1 4.3Å; L418-I420 HydrophobicContact CD2-CG1 4.36Å; L418-I420 HydrophobicContact CG-CG1 4.13Å; L418-I431 HydrophobicContact CD2-CG2 3.95Å
419	S	66.9	Low	61.2	Low	34 Å²	34	38 Å²	38	24%	0.238	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.8	173.6	-55.5	0	0	0	0	109.3	L278 S279 F417	L278-S419 CarbonylContact C-O 3.45Å; S279-S419 PolarHBondContact N-O 3.42Å; S279-S419 PolarHBondContact O-N 3.08Å; F417-S419 PolarHBondContact O-N 3.39Å
420	I	71.1	Confident	62.8	Low	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.6	174.8	-49.3	-176.3	0	0	0	106.8	Y184 M185 L187 V276 L278 L418 T422 I428 I431	Y184-I420 CarbonylContact C-O 3.43Å; Y184-I420 WeakPolarHBondContact CA-O 3.31Å; M185-I420 HydrophobicContact CB-CB 4.46Å; M185-I420 PolarHBondContact N-O 2.93Å; M185-I420 PolarHBondContact O-N 2.02Å; L187-I420 HydrophobicContact CD1-CD1 3.62Å; L187-I420 HydrophobicContact CD1-CG1 4.19Å; V276-I420 HydrophobicContact CG1-CG2 4.17Å; L278-I420 HydrophobicContact CD2-CB 4.1Å; L278-I420 HydrophobicContact CD2-CD1 4.26Å; L278-I420 HydrophobicContact CD2-CG1 3.71Å; L278-I420 HydrophobicContact CD2-CG2 3.79Å; L418-I420 HydrophobicContact CD2-CD1 4.3Å; L418-I420 HydrophobicContact CD2-CG1 4.36Å; L418-I420 HydrophobicContact CG-CG1 4.13Å; I420-T422 HydrophobicContact CG2-CG2 3.76Å; I420-I428 HydrophobicContact CD1-CD1 3.98Å; I420-I428 HydrophobicContact CG2-CD1 3.71Å; I420-I431 HydrophobicContact CD1-CD1 3.75Å
421	L	66.6	Low	64.6	Low	60 Å²	60	34 Å²	34	31%	0.314	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115	174.8	-65.1	161.1	0	0	0	107.1	V276 I277	V276-L421 CarbonylContact C-O 3.58Å; V276-L421 WeakPolarHBondContact CA-O 3.5Å; I277-L421 HydrophobicContact CB-CB 4.16Å; I277-L421 PolarHBondContact N-O 2.77Å; I277-L421 PolarHBondContact O-N 3.14Å
422	T	66.4	Low	66.1	Low	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.5	179.4	62.8	0	0	0	0	110.3	W96 S168 Y182 S183 Q275 V276 I420 V426 I428	W96-T422 HydrophobicContact CH2-CG2 3.68Å; W96-T422 WeakPolarHBondContact CH2-OG1 3.13Å; W96-T422 HydrophobicContact CZ2-CG2 3.84Å; W96-T422 WeakPolarHBondContact CZ2-OG1 3.45Å; S168-T422 WeakPolarHBondContact CB-OG1 3.43Å; Y182-T422 CarbonylContact C-O 3.56Å; Y182-T422 VanDerWaalsContact CA-O 3.27Å; Y182-T422 WeakPolarHBondContact CA-O 3.11Å; S183-T422 PolarHBondContact N-O 2.95Å; S183-T422 PolarHBondContact O-N 2.87Å; S183-T422 PolarHBondContact O-OG1 3.32Å; Q275-T422 CarbonylContact O-C 3.47Å; Q275-T422 VanDerWaalsContact O-CA 3.28Å; Q275-T422 WeakPolarHBondContact O-CA 3.46Å; V276-T422 HydrophobicContact CG1-CG2 4.14Å; V276-T422 HydrophobicContact CG2-CG2 4.07Å; I420-T422 HydrophobicContact CG2-CG2 3.76Å; T422-V426 HydrophobicContact CG2-CB 4.14Å; T422-V426 HydrophobicContact CG2-CG1 3.95Å; T422-I428 HydrophobicContact CG2-CD1 4.37Å
423	T	64.3	Low	67.7	Low	20 Å²	20	30.6 Å²	30.6	12%	0.123	17%	0.165	C	C	.	.			trans	-80.2	179.3	157.7	58.6	0	0	0	0	109.3	S168 Y182 S274 Q275 V426	S168-T423 WeakPolarHBondContact CB-O 3.47Å; S168-T423 PolarHBondContact OG-O 3.1Å; Y182-T423 HydrophobicContact CD1-CG2 4.07Å; Y182-T423 HydrophobicContact CE1-CG2 3.86Å; S274-T423 WeakPolarHBondContact CA-OG1 3.37Å; Q275-T423 HydrophobicContact CB-CG2 3.74Å; Q275-T423 HydrophobicContact CG-CG2 4.32Å; Q275-T423 PolarHBondContact N-OG1 3.29Å; Q275-T423 PolarHBondContact O-N 3.15Å; Q275-T423 PolarHBondContact O-OG1 3.48Å; T423-V426 WeakPolarHBondContact O-CG2 3.31Å
424	N	65.3	Low	68.6	Low	37 Å²	37	27 Å²	27	20%	0.198	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	155.3	175.5	-51.2	-16.5	0	0	0	112.6	T170 S274 V426	T170-N424 WeakPolarHBondContact CG2-ND2 3.46Å; S274-N424 PolarHBondContact OG-O 3.2Å; N424-V426 VanDerWaalsContact C-N 3.33Å; N424-V426 PolarHBondContact O-N 3.12Å
425	N	67.7	Low	69.3	Low	31 Å²	31	25.8 Å²	25.8	17%	0.166	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	30.3	172.9	-62.4	-2.2	0	0	0	114.5	S168 L263	S168-N425 PolarHBondContact O-N 3.11Å; S168-N425 PolarHBondContact OG-N 2.85Å; L263-N425 HydrophobicContact CB-CB 4.11Å; L263-N425 PolarHBondContact N-O 3.38Å
426	V	70.2	Confident	69.4	Low	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.5	173	-177.6	0	0	0	0	108.9	C167 S168 I260 F262 V276 T422 T423 N424	C167-V426 CarbonylContact C-O 3.56Å; C167-V426 WeakPolarHBondContact CA-O 3.49Å; S168-V426 PolarHBondContact N-O 3.48Å; S168-V426 PolarHBondContact OG-N 2.93Å; S168-V426 PolarHBondContact OG-O 3.42Å; I260-V426 HydrophobicContact CG2-CG1 3.56Å; F262-V426 HydrophobicContact CD1-CG2 3.85Å; F262-V426 HydrophobicContact CE1-CG1 4.4Å; F262-V426 HydrophobicContact CE1-CG2 3.78Å; V276-V426 HydrophobicContact CG2-CB 4.37Å; V276-V426 HydrophobicContact CG2-CG1 3.53Å; V276-V426 HydrophobicContact CG2-CG2 4.02Å; T422-V426 HydrophobicContact CG2-CB 4.14Å; T422-V426 HydrophobicContact CG2-CG1 3.95Å; T423-V426 WeakPolarHBondContact O-CG2 3.31Å; N424-V426 VanDerWaalsContact C-N 3.33Å; N424-V426 PolarHBondContact O-N 3.12Å
427	C	71.3	Confident	69	Low	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	146	172.7	-59.9	0	0	0	0	111.1	F165 P166 C167 I260 Q261 L263 W352	F165-C427 HydrophobicContact CD2-CB 3.82Å; F165-C427 HydrophobicContact CE2-CB 4.12Å; P166-C427 WeakPolarHBondContact O-CA 3.49Å; C167-C427 HydrophobicContact CB-CB 4.13Å; C167-C427 WeakPolarHBondContact CB-SG 3.47Å; C167-C427 WeakPolarHBondContact SG-CB 3.45Å; C167-C427 CovalentContact SG-SG 2.04Å; C167-C427 PolarHBondContact SG-SG 3.47Å; I260-C427 CarbonylContact C-O 3.59Å; I260-C427 WeakPolarHBondContact CA-O 3.2Å; Q261-C427 HydrophobicContact CB-CB 4.23Å; Q261-C427 PolarHBondContact N-O 3.01Å; Q261-C427 PolarHBondContact O-N 2.94Å; L263-C427 VanDerWaalsContact CD1-SG 3.5Å; W352-C427 HydrophobicContact CH2-CB 4.32Å
428	I	74.8	Confident	68.5	Low	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.6	-178.4	-57.4	178.1	0	0	0	108.9	F82 W96 F165 P166 L258 K259 I420 T422 I431	F82-I428 HydrophobicContact CE2-CG2 4.36Å; W96-I428 HydrophobicContact CH2-CD1 3.6Å; W96-I428 HydrophobicContact CH2-CG1 4.29Å; W96-I428 HydrophobicContact CZ3-CD1 4.04Å; W96-I428 HydrophobicContact CZ3-CG1 4.33Å; F165-I428 VanDerWaalsContact CB-O 3.27Å; F165-I428 WeakPolarHBondContact CB-O 3.41Å; P166-I428 WeakPolarHBondContact CD-O 3.35Å; P166-I428 HydrophobicContact CG-CB 4.42Å; P166-I428 PolarHBondContact O-N 2.72Å; L258-I428 HydrophobicContact CD1-CG2 3.58Å; K259-I428 WeakPolarHBondContact O-CA 3.47Å; I420-I428 HydrophobicContact CD1-CD1 3.98Å; I420-I428 HydrophobicContact CG2-CD1 3.71Å; T422-I428 HydrophobicContact CG2-CD1 4.37Å; I428-I431 HydrophobicContact CG2-CD1 3.95Å; I428-I431 HydrophobicContact CG2-CG1 4.01Å
429	D	72.5	Confident	67.7	Low	11 Å²	11	31.5 Å²	31.5	6%	0.059	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-114.1	174.9	-169.8	29.1	0	0	0	108.5	F82 N83 K259 W352 I431	F82-D429 WeakPolarHBondContact CD2-O 2.86Å; F82-D429 WeakPolarHBondContact CE2-O 3.48Å; N83-D429 PolarHBondContact ND2-OD1 3.31Å; K259-D429 HydrophobicContact CB-CB 4.36Å; K259-D429 HydrophobicContact CD-CB 4.14Å; K259-D429 HydrophobicContact CG-CB 4.21Å; K259-D429 IonicContact NZ-OD2 3.9Å; K259-D429 PolarHBondContact NZ-OD2 2.84Å; K259-D429 PolarHBondContact O-N 2.72Å; W352-D429 HydrophobicContact CE3-CB 4.36Å; W352-D429 HydrophobicContact CH2-CB 3.62Å; W352-D429 HydrophobicContact CZ2-CB 4.39Å; W352-D429 HydrophobicContact CZ3-CB 3.59Å; D429-I431 PolarHBondContact O-N 2.79Å
430	D	72.4	Confident	66.9	Low	50 Å²	50	37.5 Å²	37.5	27%	0.267	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	132	-176.7	-60.5	-39.5	0	0	0	114	C80 K259	C80-D430 WeakPolarHBondContact O-CA 3.28Å; K259-D430 HydrophobicContact CB-CB 4.41Å; K259-D430 PolarHBondContact N-O 2.76Å
431	I	72.5	Confident	66	Low	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.2	170.1	-42.1	-170.1	0	0	0	108.8	C80 F82 L187 L256 Q257 L258 L418 I420 I428 D429	C80-I431 WeakPolarHBondContact CA-O 3.38Å; C80-I431 HydrophobicContact CB-CB 3.94Å; C80-I431 HydrophobicContact CB-CG1 4.46Å; C80-I431 WeakPolarHBondContact CB-O 2.96Å; C80-I431 PolarHBondContact N-O 3.09Å; C80-I431 PolarHBondContact O-N 3.37Å; F82-I431 HydrophobicContact CE2-CD1 4.35Å; F82-I431 HydrophobicContact CE2-CG1 4.36Å; F82-I431 HydrophobicContact CZ-CD1 4.47Å; L187-I431 HydrophobicContact CD1-CD1 3.89Å; L187-I431 HydrophobicContact CD2-CD1 3.83Å; L256-I431 HydrophobicContact CD1-CG2 3.94Å; Q257-I431 WeakPolarHBondContact O-CA 3.46Å; L258-I431 HydrophobicContact CD1-CB 4.36Å; L258-I431 HydrophobicContact CD1-CD1 3.91Å; L258-I431 HydrophobicContact CD1-CG1 3.66Å; L258-I431 HydrophobicContact CD1-CG2 4.25Å; L418-I431 HydrophobicContact CD2-CG2 3.95Å; I420-I431 HydrophobicContact CD1-CD1 3.75Å; I428-I431 HydrophobicContact CG2-CD1 3.95Å; I428-I431 HydrophobicContact CG2-CG1 4.01Å; D429-I431 PolarHBondContact O-N 2.79Å
432	I	73.4	Confident	65.5	Low	65 Å²	65	37.9 Å²	37.9	33%	0.333	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.4	-178.3	-49.5	175.1	0	0	0	109.2	Y78 L256 Q257 Y434	Y78-I432 CarbonylContact O-C 3.55Å; Y78-I432 WeakPolarHBondContact O-CA 3.19Å; L256-I432 CarbonylContact C-O 3.54Å; L256-I432 WeakPolarHBondContact CA-O 3.48Å; Q257-I432 HydrophobicContact CB-CB 4.29Å; Q257-I432 PolarHBondContact N-O 2.95Å; Q257-I432 PolarHBondContact O-N 3.38Å; I432-Y434 HydrophobicContact CG2-CD1 4Å
433	L	73.4	Confident	65	Low	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.4	168.5	177	68	0	0	0	108.9	N77 Y78 I189 W191 A254 C255 L256 I359	N77-L433 CarbonylContact C-O 3.4Å; Y78-L433 PolarHBondContact N-O 2.77Å; Y78-L433 PolarHBondContact O-N 3.25Å; I189-L433 HydrophobicContact CD1-CD2 4.36Å; I189-L433 HydrophobicContact CG2-CD2 3.61Å; W191-L433 HydrophobicContact CD2-CD2 4.19Å; W191-L433 HydrophobicContact CE3-CD2 3.38Å; W191-L433 HydrophobicContact CE3-CG 4.21Å; W191-L433 HydrophobicContact CH2-CD2 4.4Å; W191-L433 HydrophobicContact CZ3-CD1 4.26Å; W191-L433 HydrophobicContact CZ3-CD2 3.5Å; W191-L433 HydrophobicContact CZ3-CG 3.82Å; A254-L433 HydrophobicContact CB-CD1 4.23Å; C255-L433 WeakPolarHBondContact O-CA 3.35Å; L256-L433 HydrophobicContact CB-CD1 4.42Å; L256-L433 HydrophobicContact CD1-CB 4.37Å; I359-L433 HydrophobicContact CD1-CD1 3.54Å
434	Y	71.1	Confident	64.7	Low	32 Å²	32	45.2 Å²	45.2	13%	0.125	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153	179.9	68.5	-90	0	0	0	113	N77 C255 Q257 I432 L442	N77-Y434 VanDerWaalsContact OD1-CA 3.23Å; N77-Y434 WeakPolarHBondContact OD1-CA 3.13Å; N77-Y434 WeakPolarHBondContact OD1-CB 3.49Å; C255-Y434 HydrophobicContact CB-CD1 4.2Å; C255-Y434 HydrophobicContact CB-CD2 4.32Å; C255-Y434 HydrophobicContact CB-CE1 3.7Å; C255-Y434 HydrophobicContact CB-CE2 3.81Å; C255-Y434 HydrophobicContact CB-CG 4.49Å; C255-Y434 VanDerWaalsContact CB-CZ 3.47Å; C255-Y434 PolarHBondContact N-O 3.14Å; C255-Y434 PolarHBondContact O-N 3.12Å; C255-Y434 PolarHBondContact SG-OH 2.71Å; Q257-Y434 HydrophobicContact CG-CE1 3.98Å; Q257-Y434 PolarHBondContact NE2-OH 3.29Å; I432-Y434 HydrophobicContact CG2-CD1 4Å; Y434-L442 HydrophobicContact CD2-CD1 4.3Å; Y434-L442 HydrophobicContact CE2-CD1 3.81Å
435	T	66.7	Low	64.3	Low	12 Å²	12	48.6 Å²	48.6	7%	0.074	24%	0.236	C	C	.	.			trans	-113.5	156.7	172.9	62.5	0	0	0	0	109.9	I71 S75 N77 W191 A254	I71-T435 HydrophobicContact CG2-CG2 3.98Å; S75-T435 VanDerWaalsContact OG-CG2 3.31Å; S75-T435 WeakPolarHBondContact OG-CG2 3.28Å; S75-T435 PolarHBondContact OG-OG1 3.45Å; N77-T435 PolarHBondContact OD1-N 2.83Å; W191-T435 HydrophobicContact CH2-CG2 3.42Å; W191-T435 VanDerWaalsContact CH2-CG2 3.42Å; W191-T435 HydrophobicContact CZ3-CG2 3.87Å; A254-T435 HydrophobicContact CB-CG2 3.91Å
436	H	64.4	Low	64	Low	68 Å²	68	47.2 Å²	47.2	32%	0.315	23%	0.229	S	C	.	.			trans	-148.5	130.4	175.1	-162.5	-24.6	0	0	0	110.3	N438 L442	H436-N438 VanDerWaalsContact C-N 3.25Å; H436-N438 PolarHBondContact ND1-N 2.94Å; H436-N438 VanDerWaalsContact ND1-N 3.19Å; H436-N438 PolarHBondContact O-N 3.4Å; H436-L442 HydrophobicContact CB-CB 4.39Å; H436-L442 HydrophobicContact CB-CD1 4.15Å
437	Q	57	Low	63.5	Low	109 Å²	109	51 Å²	51	51%	0.509	25%	0.246	S	C	.	.	S	Bend	trans	-55.2	-37.8	174.4	-72.1	177	-8.4	0	0	113.3	S72 N73 R439	S72-Q437 WeakPolarHBondContact OG-CG 3.45Å; N73-Q437 PolarHBondContact OD1-NE2 3.38Å; Q437-R439 PolarHBondContact O-N 3.21Å; Q437-R439 VanDerWaalsContact O-N 3.15Å
438	N	57.5	Low	62.9	Low	73 Å²	73	52.1 Å²	52.1	39%	0.39	25%	0.254	S	S	.	.			trans	-81.8	101.4	-177.7	-171.7	-33.9	0	0	0	110.8	H436 Q440 L441 L442	H436-N438 VanDerWaalsContact C-N 3.25Å; H436-N438 PolarHBondContact ND1-N 2.94Å; H436-N438 VanDerWaalsContact ND1-N 3.19Å; H436-N438 PolarHBondContact O-N 3.4Å; N438-Q440 VanDerWaalsContact C-N 3.27Å; N438-Q440 PolarHBondContact O-N 3.26Å; N438-Q440 PolarHBondContact OD1-N 3.41Å; N438-L441 HydrophobicContact CB-CB 4.03Å; N438-L441 HydrophobicContact CB-CD1 3.98Å; N438-L441 WeakPolarHBondContact O-CB 3.42Å; N438-L441 PolarHBondContact O-N 2.68Å; N438-L441 VanDerWaalsContact O-N 3.15Å; N438-L441 PolarHBondContact OD1-N 2.85Å; N438-L442 PolarHBondContact O-N 3.01Å
439	R	55.8	Low	62.1	Low	57 Å²	57	54.3 Å²	54.3	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-53.5	-37.5	179.1	-64.6	-179.2	179.5	-167.5	-4.8	114	D65 I68 Q437 K443	D65-R439 VanDerWaalsContact CA-NH2 3.35Å; D65-R439 VanDerWaalsContact CG-CZ 3.42Å; D65-R439 IonicContact OD1-CZ 2.81Å; D65-R439 IonicContact OD1-NE 2.75Å; D65-R439 PolarHBondContact OD1-NE 2.94Å; D65-R439 IonicContact OD1-NH1 3.7Å; D65-R439 IonicContact OD1-NH2 2.76Å; D65-R439 PolarHBondContact OD1-NH2 2.7Å; D65-R439 IonicContact OD2-CZ 3.69Å; D65-R439 IonicContact OD2-NH1 3.99Å; D65-R439 IonicContact OD2-NH2 3.38Å; D65-R439 PolarHBondContact OD2-NH2 3.22Å; I68-R439 HydrophobicContact CD1-CG 4.17Å; Q437-R439 PolarHBondContact O-N 3.21Å; Q437-R439 VanDerWaalsContact O-N 3.15Å; R439-K443 WeakPolarHBondContact O-CB 3.35Å; R439-K443 PolarHBondContact O-N 3.23Å
440	Q	51	Low	61.4	Low	160 Å²	160	53.9 Å²	53.9	75%	0.748	26%	0.261	S	S	*	.	H	α-helix	trans	-71.9	-38.6	-178.6	-67.4	-169.9	-7.4	0	0	111.5	N438 K443 S444	N438-Q440 VanDerWaalsContact C-N 3.27Å; N438-Q440 PolarHBondContact O-N 3.26Å; N438-Q440 PolarHBondContact OD1-N 3.41Å; Q440-K443 PolarHBondContact O-N 3.2Å; Q440-S444 WeakPolarHBondContact O-CB 3.48Å; Q440-S444 PolarHBondContact O-N 3.19Å; Q440-S444 PolarHBondContact O-OG 3.39Å
441	L	52.6	Low	60.6	Low	65 Å²	65	53.4 Å²	53.4	34%	0.34	26%	0.258	S	S	.	.	H	α-helix	trans	-67.4	-41.8	173.9	-100.2	148.3	0	0	0	111.7	N438 S444 K445	N438-L441 HydrophobicContact CB-CB 4.03Å; N438-L441 HydrophobicContact CB-CD1 3.98Å; N438-L441 WeakPolarHBondContact O-CB 3.42Å; N438-L441 PolarHBondContact O-N 2.68Å; N438-L441 VanDerWaalsContact O-N 3.15Å; N438-L441 PolarHBondContact OD1-N 2.85Å; L441-S444 PolarHBondContact O-N 3.4Å; L441-S444 PolarHBondContact O-OG 2.7Å; L441-S444 VanDerWaalsContact O-OG 3.07Å; L441-K445 WeakPolarHBondContact O-CB 3.47Å; L441-K445 WeakPolarHBondContact O-CG 3.39Å; L441-K445 PolarHBondContact O-N 3.18Å
442	L	55.7	Low	59.9	Low	3 Å²	3	54 Å²	54	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-44.8	174.5	-166.5	68.3	0	0	0	110.4	P252 C255 Y434 H436 N438 S444 C446	P252-L442 HydrophobicContact CB-CD2 4.38Å; P252-L442 HydrophobicContact CG-CD2 4.26Å; P252-L442 HydrophobicContact CG-CG 4.41Å; P252-L442 VanDerWaalsContact O-CD2 3.31Å; P252-L442 WeakPolarHBondContact O-CD2 3.45Å; C255-L442 HydrophobicContact CB-CD1 3.98Å; Y434-L442 HydrophobicContact CD2-CD1 4.3Å; Y434-L442 HydrophobicContact CE2-CD1 3.81Å; H436-L442 HydrophobicContact CB-CB 4.39Å; H436-L442 HydrophobicContact CB-CD1 4.15Å; N438-L442 PolarHBondContact O-N 3.01Å; L442-S444 VanDerWaalsContact C-N 3.34Å; L442-S444 PolarHBondContact O-N 2.88Å; L442-C446 HydrophobicContact CD1-CB 4.46Å; L442-C446 HydrophobicContact CG-CB 4.44Å; L442-C446 VanDerWaalsContact O-CA 3.29Å; L442-C446 WeakPolarHBondContact O-CA 3.39Å; L442-C446 WeakPolarHBondContact O-CB 3.49Å; L442-C446 PolarHBondContact O-N 3.16Å
443	K	55.5	Low	58.9	Low	117 Å²	117	55.1 Å²	55.1	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-34.6	177	-173.5	176.4	-179.9	177.6	0	113.1	R439 Q440 Q447	R439-K443 WeakPolarHBondContact O-CB 3.35Å; R439-K443 PolarHBondContact O-N 3.23Å; Q440-K443 PolarHBondContact O-N 3.2Å; K443-Q447 WeakPolarHBondContact O-CG 3.27Å
444	S	56.9	Low	57.8	Low	58 Å²	58	55.6 Å²	55.6	41%	0.406	27%	0.269	S	S	.	.	H	α-helix	trans	-79	-38.3	179.2	67.2	0	0	0	0	112.8	Q440 L441 L442	Q440-S444 WeakPolarHBondContact O-CB 3.48Å; Q440-S444 PolarHBondContact O-N 3.19Å; Q440-S444 PolarHBondContact O-OG 3.39Å; L441-S444 PolarHBondContact O-N 3.4Å; L441-S444 PolarHBondContact O-OG 2.7Å; L441-S444 VanDerWaalsContact O-OG 3.07Å; L442-S444 VanDerWaalsContact C-N 3.34Å; L442-S444 PolarHBondContact O-N 2.88Å
445	K	58.2	Low	56.6	Low	107 Å²	107	58.9 Å²	58.9	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-77.5	-38.4	176.3	-71.5	-173	174.2	-174.1	0	112.5	L441 Q447	L441-K445 WeakPolarHBondContact O-CB 3.47Å; L441-K445 WeakPolarHBondContact O-CG 3.39Å; L441-K445 PolarHBondContact O-N 3.18Å; K445-Q447 VanDerWaalsContact C-N 3.31Å; K445-Q447 PolarHBondContact O-N 2.91Å
446	C	61.6	Low	55.6	Low	3 Å²	3	61 Å²	61	2%	0.02	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	31.5	-177.1	-147.1	0	0	0	0	113.4	C255 M357 P358 L442 S448	C255-C446 WeakPolarHBondContact CA-SG 3.4Å; C255-C446 HydrophobicContact CB-CB 3.65Å; C255-C446 WeakPolarHBondContact CB-SG 3.37Å; C255-C446 WeakPolarHBondContact SG-CA 3.4Å; C255-C446 WeakPolarHBondContact SG-CB 3.5Å; C255-C446 CovalentContact SG-SG 2.02Å; C255-C446 PolarHBondContact SG-SG 2.77Å; M357-C446 VanDerWaalsContact C-SG 3.54Å; M357-C446 PolarHBondContact O-SG 2.73Å; M357-C446 VanDerWaalsContact O-SG 3.42Å; P358-C446 VanDerWaalsContact CA-SG 3.53Å; L442-C446 HydrophobicContact CD1-CB 4.46Å; L442-C446 HydrophobicContact CG-CB 4.44Å; L442-C446 VanDerWaalsContact O-CA 3.29Å; L442-C446 WeakPolarHBondContact O-CA 3.39Å; L442-C446 WeakPolarHBondContact O-CB 3.49Å; L442-C446 PolarHBondContact O-N 3.16Å; C446-S448 PolarHBondContact O-N 2.71Å
447	Q	59.3	Low	54.7	Low	80 Å²	80	65.6 Å²	65.6	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-62.8	136.5	164.3	-63.7	-175.6	-15.2	0	0	107.2	S356 K443 K445 K449 H468	S356-Q447 PolarHBondContact OG-O 2.81Å; K443-Q447 WeakPolarHBondContact O-CG 3.27Å; K445-Q447 VanDerWaalsContact C-N 3.31Å; K445-Q447 PolarHBondContact O-N 2.91Å; Q447-K449 WeakPolarHBondContact O-CG 3.38Å; Q447-K449 PolarHBondContact O-N 2.77Å; Q447-H468 PolarHBondContact OE1-CE1 3.12Å; Q447-H468 PolarHBondContact OE1-ND1 3.48Å
448	S	59	Low	54.2	Low	23 Å²	23	70.2 Å²	70.2	16%	0.161	35%	0.345	C	S	.	.	S	Bend	trans	-61.1	93.2	168	39.1	0	0	0	0	107.1	S356 C446 L469 N470	S356-S448 WeakPolarHBondContact O-CA 3.27Å; C446-S448 PolarHBondContact O-N 2.71Å; S448-L469 WeakPolarHBondContact O-CA 3.36Å; S448-L469 VanDerWaalsContact O-CB 3.31Å; S448-L469 WeakPolarHBondContact O-CB 3.42Å; S448-L469 PolarHBondContact O-N 2.87Å; S448-L469 PolarHBondContact OG-O 2.75Å; S448-N470 PolarHBondContact OG-O 2.99Å
449	K	58.4	Low	53.4	Low	46 Å²	46	73.4 Å²	73.4	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.7	-176.8	68.5	-177.6	174.8	176.6	0	109.9	S356 Q447 I451 I466 L467	S356-K449 PolarHBondContact N-O 3.33Å; S356-K449 WeakPolarHBondContact OG-CG 3.45Å; Q447-K449 WeakPolarHBondContact O-CG 3.38Å; Q447-K449 PolarHBondContact O-N 2.77Å; K449-I451 HydrophobicContact CD-CD1 4.02Å; K449-I451 HydrophobicContact CD-CG1 4.35Å; K449-I451 HydrophobicContact CG-CD1 4.42Å; K449-I451 HydrophobicContact CG-CG1 4.34Å; K449-I466 HydrophobicContact CB-CG2 4.47Å; K449-I466 HydrophobicContact CD-CG2 4.32Å; K449-L467 CarbonylContact C-O 3.57Å; K449-L467 WeakPolarHBondContact CA-O 3.11Å; K449-L467 WeakPolarHBondContact CB-O 3.48Å
450	L	57.1	Low	52.8	Low	1 Å²	1	76.1 Å²	76.1	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.1	175.2	-66.4	154.8	0	0	0	107.6	L291 W332 I353 V355 W452 I466 L467 L469	L291-L450 HydrophobicContact CD2-CD2 3.93Å; W332-L450 HydrophobicContact CH2-CD1 3.32Å; W332-L450 HydrophobicContact CH2-CD2 4.4Å; W332-L450 HydrophobicContact CH2-CG 4.39Å; W332-L450 HydrophobicContact CZ2-CD1 4.06Å; W332-L450 HydrophobicContact CZ3-CD1 4.03Å; I353-L450 HydrophobicContact CG2-CB 4.5Å; I353-L450 HydrophobicContact CG2-CD2 3.82Å; V355-L450 HydrophobicContact CB-CD2 4.22Å; V355-L450 HydrophobicContact CG1-CD2 3.89Å; V355-L450 HydrophobicContact CG2-CD2 3.71Å; L450-W452 HydrophobicContact CB-CZ3 4.46Å; L450-I466 WeakPolarHBondContact O-CA 3.46Å; L450-L467 HydrophobicContact CB-CB 4.25Å; L450-L467 HydrophobicContact CD1-CD2 3.93Å; L450-L467 PolarHBondContact N-O 2.9Å; L450-L467 PolarHBondContact O-N 3.07Å; L450-L469 HydrophobicContact CD1-CD1 3.78Å; L450-L469 HydrophobicContact CD1-CD2 3.99Å; L450-L469 HydrophobicContact CD1-CG 4.14Å; L450-L469 HydrophobicContact CG-CD1 4.04Å
451	I	55.3	Low	52.5	Low	41 Å²	41	74 Å²	74	21%	0.21	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.3	178.5	-54.5	-179.8	0	0	0	108.4	N354 K449 I464 Q465 I466	N354-I451 HydrophobicContact CB-CB 4.49Å; N354-I451 PolarHBondContact N-O 3.15Å; N354-I451 PolarHBondContact O-N 2.92Å; N354-I451 VanDerWaalsContact O-N 3.07Å; K449-I451 HydrophobicContact CD-CD1 4.02Å; K449-I451 HydrophobicContact CD-CG1 4.35Å; K449-I451 HydrophobicContact CG-CD1 4.42Å; K449-I451 HydrophobicContact CG-CG1 4.34Å; I451-I464 HydrophobicContact CG2-CG2 3.55Å; I451-Q465 WeakPolarHBondContact CA-O 3.41Å; I451-I466 HydrophobicContact CG1-CG1 4.18Å; I451-I466 HydrophobicContact CG1-CG2 4.22Å; I451-I466 HydrophobicContact CG2-CG1 4.37Å
452	W	58.3	Low	52.3	Low	13 Å²	13	77 Å²	77	5%	0.049	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	162.1	171.3	72.5	98.2	0	0	0	110.4	I339 V351 I353 L450 Q465 L467	I339-W452 HydrophobicContact CD1-CH2 4.47Å; I339-W452 HydrophobicContact CD1-CZ2 3.92Å; V351-W452 HydrophobicContact CG1-CB 3.99Å; I353-W452 HydrophobicContact CG1-CB 4.34Å; L450-W452 HydrophobicContact CB-CZ3 4.46Å; W452-Q465 HydrophobicContact CD2-CB 3.66Å; W452-Q465 HydrophobicContact CE3-CB 4.05Å; W452-Q465 HydrophobicContact CG-CB 4.26Å; W452-Q465 HydrophobicContact CH2-CB 3.82Å; W452-Q465 HydrophobicContact CZ2-CB 3.41Å; W452-Q465 VanDerWaalsContact CZ2-CB 3.41Å; W452-Q465 HydrophobicContact CZ2-CG 3.91Å; W452-Q465 HydrophobicContact CZ3-CB 4.12Å; W452-Q465 PolarHBondContact N-O 2.86Å; W452-Q465 VanDerWaalsContact N-O 3.11Å; W452-Q465 PolarHBondContact O-N 3.23Å; W452-L467 HydrophobicContact CH2-CB 4.33Å; W452-L467 HydrophobicContact CZ3-CB 3.91Å
453	I	51.5	Low	51.8	Low	89 Å²	89	78.7 Å²	78.7	46%	0.456	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.5	176.5	-60.2	175.6	0	0	0	107.4	H462 I464	I453-H462 HydrophobicContact CG2-CB 3.75Å; I453-I464 HydrophobicContact CG1-CG1 4.48Å
454	S	51	Low	51.6	Low	10 Å²	10	78.5 Å²	78.5	7%	0.07	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.7	173.2	-171.6	0	0	0	0	110	N456 S463	S454-N456 PolarHBondContact O-N 2.9Å; S454-N456 PolarHBondContact OG-OD1 3.02Å; S454-N456 VanDerWaalsContact OG-OD1 3.1Å; S454-S463 PolarHBondContact N-O 3.36Å; S454-S463 PolarHBondContact O-N 2.59Å
455	N	46.8	Very low	51.5	Low	102 Å²	102	79.2 Å²	79.2	55%	0.545	40%	0.404	S	S	.	.			trans	-88.3	95	165.3	-79.1	-4.1	0	0	0	108.6	N457 H462	N455-N457 PolarHBondContact O-N 3.28Å; N455-N457 VanDerWaalsContact O-N 3.12Å; N455-H462 PolarHBondContact OD1-CE1 3.3Å; N455-H462 PolarHBondContact OD1-ND1 2.86Å
456	N	45.2	Very low	51.4	Low	56 Å²	56	78.2 Å²	78.2	30%	0.299	40%	0.403	S	S	.	.			trans	-73.9	105.2	167.1	-78.4	19.2	0	0	0	107.5	D341 S454 K458 Q459	D341-N456 PolarHBondContact OD2-ND2 2.9Å; S454-N456 PolarHBondContact O-N 2.9Å; S454-N456 PolarHBondContact OG-OD1 3.02Å; S454-N456 VanDerWaalsContact OG-OD1 3.1Å; N456-K458 PolarHBondContact O-N 3.45Å; N456-Q459 PolarHBondContact O-N 2.9Å; N456-Q459 VanDerWaalsContact O-N 3.1Å; N456-Q459 VanDerWaalsContact O-O 3.06Å
457	N	44.4	Very low	51.2	Low	165 Å²	165	78.5 Å²	78.5	88%	0.882	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-6.7	-175.2	-79.1	-11.5	0	0	0	116	N455	N455-N457 PolarHBondContact O-N 3.28Å; N455-N457 VanDerWaalsContact O-N 3.12Å
458	K	47	Very low	51.1	Low	205 Å²	205	77 Å²	77	89%	0.891	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-15.5	-178.4	-68.5	-175.5	178.4	177	0	115	N456	N456-K458 PolarHBondContact O-N 3.45Å
459	Q	40.7	Very low	50.8	Low	140 Å²	140	76.6 Å²	76.6	65%	0.654	39%	0.393	S	S	*	.	S	Bend	trans	-140.2	128.2	178.4	-89.2	165.3	-17.4	0	0	108.4	N456 N461	N456-Q459 PolarHBondContact O-N 2.9Å; N456-Q459 VanDerWaalsContact O-N 3.1Å; N456-Q459 VanDerWaalsContact O-O 3.06Å; Q459-N461 PolarHBondContact O-N 2.92Å
460	S	44.1	Very low	50.3	Low	115 Å²	115	76.3 Å²	76.3	80%	0.804	39%	0.393	S	S	*	.	S	Bend	trans	-60.2	17.2	175.7	48.6	0	0	0	0	115
461	N	43.8	Very low	49.7	Very low	115 Å²	115	80.8 Å²	80.8	62%	0.615	42%	0.421	S	S	*	.			trans	-95.2	95.7	174.5	-68.9	-18.1	0	0	0	108.5	Q459 S463	Q459-N461 PolarHBondContact O-N 2.92Å; N461-S463 PolarHBondContact O-N 2.91Å
462	H	47.8	Very low	48.9	Very low	129 Å²	129	86.4 Å²	86.4	60%	0.597	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-56.3	119	163.8	-60.7	-65.4	0	0	0	108.9	I453 N455	I453-H462 HydrophobicContact CG2-CB 3.75Å; N455-H462 PolarHBondContact OD1-CE1 3.3Å; N455-H462 PolarHBondContact OD1-ND1 2.86Å
463	S	47	Very low	48.1	Very low	37 Å²	37	85.9 Å²	85.9	26%	0.259	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.8	174.7	62.8	0	0	0	0	109.3	S454 N461 Q465	S454-S463 PolarHBondContact N-O 3.36Å; S454-S463 PolarHBondContact O-N 2.59Å; N461-S463 PolarHBondContact O-N 2.91Å; S463-Q465 PolarHBondContact O-N 2.84Å; S463-Q465 PolarHBondContact OG-NE2 2.81Å; S463-Q465 VanDerWaalsContact OG-NE2 3.12Å
464	I	50.6	Low	47.5	Very low	113 Å²	113	85.8 Å²	85.8	58%	0.579	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	116.1	171.6	-59.5	174.9	0	0	0	106.9	I451 I453 I466	I451-I464 HydrophobicContact CG2-CG2 3.55Å; I453-I464 HydrophobicContact CG1-CG1 4.48Å; I464-I466 HydrophobicContact CG2-CD1 4.42Å; I464-I466 HydrophobicContact CG2-CG1 4.01Å
465	Q	55.3	Low	47.2	Very low	74 Å²	74	86.2 Å²	86.2	35%	0.346	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.5	175	-62.1	-64.7	-22.2	0	0	108.3	I451 W452 S463	I451-Q465 WeakPolarHBondContact CA-O 3.41Å; W452-Q465 HydrophobicContact CD2-CB 3.66Å; W452-Q465 HydrophobicContact CE3-CB 4.05Å; W452-Q465 HydrophobicContact CG-CB 4.26Å; W452-Q465 HydrophobicContact CH2-CB 3.82Å; W452-Q465 HydrophobicContact CZ2-CB 3.41Å; W452-Q465 VanDerWaalsContact CZ2-CB 3.41Å; W452-Q465 HydrophobicContact CZ2-CG 3.91Å; W452-Q465 HydrophobicContact CZ3-CB 4.12Å; W452-Q465 PolarHBondContact N-O 2.86Å; W452-Q465 VanDerWaalsContact N-O 3.11Å; W452-Q465 PolarHBondContact O-N 3.23Å; S463-Q465 PolarHBondContact O-N 2.84Å; S463-Q465 PolarHBondContact OG-NE2 2.81Å; S463-Q465 VanDerWaalsContact OG-NE2 3.12Å
466	I	56.5	Low	47.1	Very low	86 Å²	86	85.3 Å²	85.3	44%	0.441	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	116	-179.9	-54.7	178.6	0	0	0	107.7	K449 L450 I451 I464	K449-I466 HydrophobicContact CB-CG2 4.47Å; K449-I466 HydrophobicContact CD-CG2 4.32Å; L450-I466 WeakPolarHBondContact O-CA 3.46Å; I451-I466 HydrophobicContact CG1-CG1 4.18Å; I451-I466 HydrophobicContact CG1-CG2 4.22Å; I451-I466 HydrophobicContact CG2-CG1 4.37Å; I464-I466 HydrophobicContact CG2-CD1 4.42Å; I464-I466 HydrophobicContact CG2-CG1 4.01Å
467	L	56	Low	47.2	Very low	8 Å²	8	86.8 Å²	86.8	4%	0.042	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.3	173.6	-176.6	66.3	0	0	0	109.4	W332 L335 K449 L450 W452 L469 P475	W332-L467 HydrophobicContact CZ3-CD2 4.46Å; L335-L467 HydrophobicContact CD1-CD2 3.77Å; L335-L467 HydrophobicContact CD2-CD1 3.88Å; L335-L467 HydrophobicContact CD2-CD2 3.86Å; L335-L467 HydrophobicContact CD2-CG 4.44Å; L335-L467 HydrophobicContact CG-CD2 4.23Å; K449-L467 CarbonylContact C-O 3.57Å; K449-L467 WeakPolarHBondContact CA-O 3.11Å; K449-L467 WeakPolarHBondContact CB-O 3.48Å; L450-L467 HydrophobicContact CB-CB 4.25Å; L450-L467 HydrophobicContact CD1-CD2 3.93Å; L450-L467 PolarHBondContact N-O 2.9Å; L450-L467 PolarHBondContact O-N 3.07Å; W452-L467 HydrophobicContact CH2-CB 4.33Å; W452-L467 HydrophobicContact CZ3-CB 3.91Å; L467-L469 HydrophobicContact CD2-CD2 4.01Å; L467-L469 HydrophobicContact CG-CD2 4.14Å; L467-P475 HydrophobicContact CD1-CB 3.72Å; L467-P475 HydrophobicContact CD2-CB 4.15Å; L467-P475 HydrophobicContact CG-CB 4.12Å
468	H	57.4	Low	47.1	Very low	49 Å²	49	84.4 Å²	84.4	23%	0.227	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.8	172.6	-68.1	-90.8	0	0	0	109.5	Q447 P475 I476	Q447-H468 PolarHBondContact OE1-CE1 3.12Å; Q447-H468 PolarHBondContact OE1-ND1 3.48Å; H468-P475 CarbonylContact O-C 3.56Å; H468-P475 WeakPolarHBondContact O-CA 3.36Å; H468-I476 HydrophobicContact CB-CB 4.33Å; H468-I476 PolarHBondContact O-N 3.1Å
469	L	52.5	Low	46.5	Very low	14 Å²	14	81.9 Å²	81.9	7%	0.073	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-113.3	150.4	177	-53.1	177.3	0	0	0	109.4	I330 S448 L450 L467 G473 Y474 P475	I330-L469 HydrophobicContact CD1-CD1 3.98Å; S448-L469 WeakPolarHBondContact O-CA 3.36Å; S448-L469 VanDerWaalsContact O-CB 3.31Å; S448-L469 WeakPolarHBondContact O-CB 3.42Å; S448-L469 PolarHBondContact O-N 2.87Å; S448-L469 PolarHBondContact OG-O 2.75Å; L450-L469 HydrophobicContact CD1-CD1 3.78Å; L450-L469 HydrophobicContact CD1-CD2 3.99Å; L450-L469 HydrophobicContact CD1-CG 4.14Å; L450-L469 HydrophobicContact CG-CD1 4.04Å; L467-L469 HydrophobicContact CD2-CD2 4.01Å; L467-L469 HydrophobicContact CG-CD2 4.14Å; L469-G473 WeakPolarHBondContact CD2-O 3.39Å; L469-Y474 CarbonylContact C-O 3.52Å; L469-Y474 WeakPolarHBondContact CA-O 3.08Å; L469-P475 HydrophobicContact CD2-CB 4.35Å
470	N	47.6	Very low	46	Very low	40 Å²	40	86.9 Å²	86.9	21%	0.214	43%	0.434	C	S	.	.			trans	-80.3	177.6	171	73.4	12.3	0	0	0	111.2	S448 Y472 G473 Y474 I476	S448-N470 PolarHBondContact OG-O 2.99Å; N470-Y472 PolarHBondContact O-N 3.12Å; N470-Y472 WeakPolarHBondContact OD1-CA 3.35Å; N470-Y472 WeakPolarHBondContact OD1-CB 3.3Å; N470-Y472 PolarHBondContact OD1-N 2.87Å; N470-G473 PolarHBondContact O-N 2.93Å; N470-G473 PolarHBondContact OD1-N 2.82Å; N470-G473 VanDerWaalsContact OD1-N 3.1Å; N470-Y474 PolarHBondContact N-O 3.48Å; N470-Y474 PolarHBondContact OD1-N 2.95Å; N470-I476 HydrophobicContact CB-CD1 4.15Å; N470-I476 HydrophobicContact CB-CG1 3.95Å
471	T	44.3	Very low	45.2	Very low	96 Å²	96	87.4 Å²	87.4	59%	0.589	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-14.2	179.5	48.3	0	0	0	0	114.6
472	Y	40	Very low	44.4	Very low	158 Å²	158	86.9 Å²	86.9	62%	0.62	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	2.4	179.2	-54	-75.7	0	0	0	112.7	S328 N470	S328-Y472 WeakPolarHBondContact CB-O 3.36Å; N470-Y472 PolarHBondContact O-N 3.12Å; N470-Y472 WeakPolarHBondContact OD1-CA 3.35Å; N470-Y472 WeakPolarHBondContact OD1-CB 3.3Å; N470-Y472 PolarHBondContact OD1-N 2.87Å
473	G	39.9	Very low	43.4	Very low	2 Å²	2	85.7 Å²	85.7	2%	0.021	44%	0.444	C	S	.	.	S	Bend	trans	91.3	-0.2	-179.8	0	0	0	0	0	115.4	I330 L469 N470	I330-G473 WeakPolarHBondContact CG1-O 3.43Å; L469-G473 WeakPolarHBondContact CD2-O 3.39Å; N470-G473 PolarHBondContact O-N 2.93Å; N470-G473 PolarHBondContact OD1-N 2.82Å; N470-G473 VanDerWaalsContact OD1-N 3.1Å
474	Y	40.8	Very low	42.4	Very low	87 Å²	87	90.1 Å²	90.1	34%	0.341	47%	0.47	S	S	.	.			trans	-81	142.4	179.8	-60.5	-81.6	0	0	0	112.3	L469 N470 I476	L469-Y474 CarbonylContact C-O 3.52Å; L469-Y474 WeakPolarHBondContact CA-O 3.08Å; N470-Y474 PolarHBondContact N-O 3.48Å; N470-Y474 PolarHBondContact OD1-N 2.95Å; Y474-I476 PolarHBondContact O-N 2.74Å
475	P	43.6	Very low	41.3	Very low	19 Å²	19	90.5 Å²	90.5	12%	0.123	48%	0.478	C	S	.	.	B	Isolated β-bridge	trans	-60.3	131.7	176.2	26	-34.4	0	0	0	112	I334 L467 H468 L469 L477	I334-P475 HydrophobicContact CB-CG 4.13Å; I334-P475 HydrophobicContact CD1-CG 4.03Å; I334-P475 HydrophobicContact CG2-CG 3.83Å; L467-P475 HydrophobicContact CD1-CB 3.72Å; L467-P475 HydrophobicContact CD2-CB 4.15Å; L467-P475 HydrophobicContact CG-CB 4.12Å; H468-P475 CarbonylContact O-C 3.56Å; H468-P475 WeakPolarHBondContact O-CA 3.36Å; L469-P475 HydrophobicContact CD2-CB 4.35Å; P475-L477 PolarHBondContact O-N 2.72Å
476	I	45.6	Very low	39.8	Very low	83 Å²	83	93.1 Å²	93.1	43%	0.426	50%	0.504	S	S	.	.			trans	-88.6	100.6	170.7	-57.2	172.5	0	0	0	106.3	H468 N470 Y474 L478	H468-I476 HydrophobicContact CB-CB 4.33Å; H468-I476 PolarHBondContact O-N 3.1Å; N470-I476 HydrophobicContact CB-CD1 4.15Å; N470-I476 HydrophobicContact CB-CG1 3.95Å; Y474-I476 PolarHBondContact O-N 2.74Å; I476-L478 PolarHBondContact O-N 3.48Å
477	L	47.1	Very low	38.4	Very low	88 Å²	88	94.1 Å²	94.1	46%	0.461	52%	0.519	S	S	.	.			trans	-65	100.6	169	-69.3	167.3	0	0	0	108.1	E338 P475 N479	E338-L477 HydrophobicContact CG-CD2 4.16Å; P475-L477 PolarHBondContact O-N 2.72Å; L477-N479 PolarHBondContact O-N 2.69Å; L477-N479 VanDerWaalsContact O-N 3.13Å
478	L	42.2	Very low	37	Very low	115 Å²	115	98.7 Å²	98.7	60%	0.602	55%	0.551	S	S	*	*			trans	-68.2	109	171.9	-78.8	147.5	0	0	0	106.6	I476 R480	I476-L478 PolarHBondContact O-N 3.48Å; L478-R480 VanDerWaalsContact C-N 3.34Å; L478-R480 PolarHBondContact O-N 2.81Å
479	N	33.3	Very low	35.5	Very low	152 Å²	152	103.4 Å²	103.4	81%	0.813	58%	0.578	S	S	*	*			trans	-46.6	100.4	171.3	-104.5	-14.6	0	0	0	108.4	L477 T481	L477-N479 PolarHBondContact O-N 2.69Å; L477-N479 VanDerWaalsContact O-N 3.13Å; N479-T481 PolarHBondContact O-N 3.14Å
480	R	31	Very low	34.4	Very low	244 Å²	244	109.9 Å²	109.9	92%	0.921	61%	0.613	S	S	*	*			trans	-61.5	97.9	165.6	-109.6	-177.6	177.5	171.2	1.1	104.5	L478 S482	L478-R480 VanDerWaalsContact C-N 3.34Å; L478-R480 PolarHBondContact O-N 2.81Å; R480-S482 PolarHBondContact O-N 3.43Å
481	T	26.7	Very low	33.6	Very low	127 Å²	127	113.3 Å²	113.3	78%	0.779	64%	0.637	S	S	*	*			trans	-50.4	109.7	166.7	39.4	0	0	0	0	105.9	N479 S483	N479-T481 PolarHBondContact O-N 3.14Å; T481-S483 PolarHBondContact O-N 2.97Å
482	S	27.5	Very low	32.8	Very low	104 Å²	104	116.1 Å²	116.1	73%	0.727	65%	0.648	S	S	*	*			trans	-39	95.3	175.9	44.4	0	0	0	0	110.3	R480 T484	R480-S482 PolarHBondContact O-N 3.43Å; S482-T484 PolarHBondContact O-N 3.5Å
483	S	27.2	Very low	32.2	Very low	104 Å²	104	115.9 Å²	115.9	73%	0.727	66%	0.657	S	S	*	*			trans	-72.9	93	163.9	53.6	0	0	0	0	105.7	T481 T485	T481-S483 PolarHBondContact O-N 2.97Å; S483-T485 PolarHBondContact O-N 3.41Å
484	T	25.6	Very low	31.8	Very low	129 Å²	129	121.9 Å²	121.9	79%	0.791	69%	0.689	S	S	*	*			trans	-57.1	95.4	168.4	45.2	0	0	0	0	109.3	S482	S482-T484 PolarHBondContact O-N 3.5Å
485	T	26.7	Very low	31.4	Very low	122 Å²	122	120.8 Å²	120.8	75%	0.748	70%	0.704	S	S	*	*			trans	-129	94.3	155.6	42.5	0	0	0	0	107.2	S483 S487	S483-T485 PolarHBondContact O-N 3.41Å; T485-S487 PolarHBondContact O-N 3.28Å
486	S	24.8	Very low	31	Very low	128 Å²	128	124.2 Å²	124.2	90%	0.895	72%	0.721	S	S	*	*			trans	-49.8	114.2	164.4	49.3	0	0	0	0	111
487	S	26.2	Very low	30.2	Very low	108 Å²	108	126 Å²	126	76%	0.755	73%	0.732	S	S	*	*			trans	-139.5	109.3	147.5	56.1	0	0	0	0	107	T485 D489	T485-S487 PolarHBondContact O-N 3.28Å; S487-D489 PolarHBondContact O-N 2.9Å
488	S	26.9	Very low	29.4	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	75%	0.746	S	S	*	*			trans	-35.2	122.9	165.6	46.6	0	0	0	0	112.2
489	D	27	Very low	28.8	Very low	148 Å²	148	127.5 Å²	127.5	79%	0.791	74%	0.737	S	S	*	*				-178.9	110.6	115.2	-81.1	-24.1	0	0	0	107.7	S487	S487-D489 PolarHBondContact O-N 2.9Å
490	D	29	Very low	28.7	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	71%	0.711	S	S	*	*			trans	-58.7	138.7	164.9	-93.1	-43.7	0	0	0	108.8
491	P	31.1	Very low	28.6	Very low	112 Å²	112	117 Å²	117	73%	0.727	70%	0.698	S	S	*	*				-141.2	143.8	99.8	32	-15.3	0	0	0	114.5
492	L	27.3	Very low	28.8	Very low	156 Å²	156	118.8 Å²	118.8	82%	0.817	70%	0.695	S	S	*	*			trans	78.1	79.1	164.3	-97.9	74	0	0	0	117.5	N494	L492-N494 PolarHBondContact O-N 2.93Å
493	N	26.9	Very low	29	Very low	152 Å²	152	116.3 Å²	116.3	81%	0.813	68%	0.677	S	S	*	*				-8.1	93.6	124	-86.7	-37.6	0	0	0	114.7
494	N	31.5	Very low	29.1	Very low	129 Å²	129	115.5 Å²	115.5	69%	0.69	66%	0.661	S	S	*	*			trans	-121.2	111.7	146.3	-103.2	5.5	0	0	0	107.4	L492 D496	L492-N494 PolarHBondContact O-N 2.93Å; N494-D496 PolarHBondContact O-N 2.86Å
495	G	33.4	Very low	29.2	Very low	63 Å²	63	114.9 Å²	114.9	65%	0.649	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	23.5	-173.9	0	0	0	0	0	115.7
496	D	33.4	Very low	29.5	Very low	92 Å²	92	112.2 Å²	112.2	49%	0.492	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.7	-17.1	-171.6	-65.1	-32.7	0	0	0	113.5	N494 K498 S499	N494-D496 PolarHBondContact O-N 2.86Å; D496-K498 VanDerWaalsContact C-N 3.26Å; D496-K498 PolarHBondContact O-N 3.07Å; D496-S499 PolarHBondContact O-N 3.29Å; D496-S499 PolarHBondContact O-OG 2.88Å
497	N	30.2	Very low	29.9	Very low	120 Å²	120	114.2 Å²	114.2	64%	0.642	63%	0.628	S	S	*	*	H	α-helix	trans	-73.5	-19.2	174.8	-69.8	-11.8	0	0	0	112.9	Q337	Q337-N497 PolarHBondContact NE2-OD1 3.37Å; Q337-N497 VanDerWaalsContact NE2-OD1 3.14Å
498	K	29.5	Very low	30.2	Very low	177 Å²	177	116.3 Å²	116.3	77%	0.77	62%	0.621	S	S	*	*	H	α-helix	trans	-86.4	-20.2	173.8	-109	179.8	-179.3	174.4	0	113.2	D496	D496-K498 VanDerWaalsContact C-N 3.26Å; D496-K498 PolarHBondContact O-N 3.07Å
499	S	30.5	Very low	30.4	Very low	58 Å²	58	113 Å²	113	41%	0.406	60%	0.597	S	S	.	*	H	α-helix	trans	-75.3	-33.6	176	67.2	0	0	0	0	111.1	D496 K502 S503	D496-S499 PolarHBondContact O-N 3.29Å; D496-S499 PolarHBondContact O-OG 2.88Å; S499-K502 CarbonylContact O-C 3.58Å; S499-K502 WeakPolarHBondContact O-CA 3.27Å; S499-K502 WeakPolarHBondContact O-CB 3.14Å; S499-K502 PolarHBondContact O-N 2.82Å; S499-K502 VanDerWaalsContact O-N 3.13Å; S499-S503 PolarHBondContact O-N 2.82Å
500	I	30.3	Very low	30.6	Very low	53 Å²	53	112.5 Å²	112.5	27%	0.272	60%	0.595	S	S	.	*	H	α-helix	trans	-76.1	-35.3	-178.5	-72.1	162.6	0	0	0	112.8	Q337 K502 S503 F504	Q337-I500 HydrophobicContact CG-CD1 4.05Å; I500-K502 PolarHBondContact O-N 2.81Å; I500-S503 WeakPolarHBondContact CA-OG 3.16Å; I500-S503 PolarHBondContact O-N 3.02Å; I500-S503 PolarHBondContact O-OG 3.29Å; I500-F504 HydrophobicContact CG2-CD2 3.91Å; I500-F504 HydrophobicContact CG2-CE2 4.01Å; I500-F504 WeakPolarHBondContact O-CD2 3.14Å; I500-F504 PolarHBondContact O-N 3.22Å
501	L	29.2	Very low	31.1	Very low	123 Å²	123	114.1 Å²	114.1	64%	0.644	60%	0.595	S	S	*	*	H	α-helix	trans	-61.7	-31.8	169	-141.5	90.4	0	0	0	111.1	H505	L501-H505 VanDerWaalsContact O-CB 3.31Å; L501-H505 WeakPolarHBondContact O-CB 2.85Å; L501-H505 PolarHBondContact O-N 2.76Å
502	K	30.2	Very low	31.5	Very low	163 Å²	163	116.1 Å²	116.1	71%	0.709	59%	0.589	S	S	*	*	H	α-helix	trans	-77.3	-38.9	177.5	-95	-175.3	174	-176.4	0	113.6	S499 I500 F504 H505 S506	S499-K502 CarbonylContact O-C 3.58Å; S499-K502 WeakPolarHBondContact O-CA 3.27Å; S499-K502 WeakPolarHBondContact O-CB 3.14Å; S499-K502 PolarHBondContact O-N 2.82Å; S499-K502 VanDerWaalsContact O-N 3.13Å; I500-K502 PolarHBondContact O-N 2.81Å; K502-F504 VanDerWaalsContact C-N 3.33Å; K502-H505 PolarHBondContact O-N 2.96Å; K502-S506 PolarHBondContact O-N 3.41Å; K502-S506 PolarHBondContact O-OG 2.78Å
503	S	32	Very low	31.9	Very low	52 Å²	52	112.5 Å²	112.5	36%	0.364	58%	0.577	S	S	.	*	H	α-helix	trans	-67.7	-34.4	178.7	57.4	0	0	0	0	111.9	S499 I500 S506 F507	S499-S503 PolarHBondContact O-N 2.82Å; I500-S503 WeakPolarHBondContact CA-OG 3.16Å; I500-S503 PolarHBondContact O-N 3.02Å; I500-S503 PolarHBondContact O-OG 3.29Å; S503-S506 PolarHBondContact O-OG 2.79Å; S503-F507 WeakPolarHBondContact O-CD2 3.3Å
504	F	29.3	Very low	32.7	Very low	88 Å²	88	111.2 Å²	111.2	39%	0.386	57%	0.569	S	S	.	*	H	α-helix	trans	-79.9	-32	172.8	-74.9	-72.8	0	0	0	113.3	I334 I500 K502 S506 F507 Y508	I334-F504 HydrophobicContact CD1-CE1 4.35Å; I334-F504 HydrophobicContact CD1-CZ 4.11Å; I334-F504 HydrophobicContact CG1-CZ 4.05Å; I500-F504 HydrophobicContact CG2-CD2 3.91Å; I500-F504 HydrophobicContact CG2-CE2 4.01Å; I500-F504 WeakPolarHBondContact O-CD2 3.14Å; I500-F504 PolarHBondContact O-N 3.22Å; K502-F504 VanDerWaalsContact C-N 3.33Å; F504-S506 VanDerWaalsContact C-N 3.25Å; F504-S506 PolarHBondContact O-N 2.89Å; F504-F507 PolarHBondContact O-N 2.83Å; F504-Y508 PolarHBondContact O-N 2.86Å
505	H	28.8	Very low	33.3	Very low	116 Å²	116	112 Å²	112	54%	0.537	56%	0.564	S	S	.	*	H	α-helix	trans	-61.7	-34.8	169.1	-123.7	-88.5	0	0	0	111.5	L501 K502 F507 S509	L501-H505 VanDerWaalsContact O-CB 3.31Å; L501-H505 WeakPolarHBondContact O-CB 2.85Å; L501-H505 PolarHBondContact O-N 2.76Å; K502-H505 PolarHBondContact O-N 2.96Å; H505-F507 VanDerWaalsContact C-N 3.34Å; H505-F507 PolarHBondContact O-N 3.45Å; H505-S509 WeakPolarHBondContact ND1-CB 3.47Å; H505-S509 PolarHBondContact ND1-OG 2.82Å; H505-S509 VanDerWaalsContact ND1-OG 3.16Å; H505-S509 WeakPolarHBondContact O-CA 3.27Å; H505-S509 WeakPolarHBondContact O-CB 3.25Å; H505-S509 PolarHBondContact O-N 3.48Å; H505-S509 PolarHBondContact O-OG 2.92Å
506	S	32.2	Very low	33.9	Very low	66 Å²	66	114.6 Å²	114.6	46%	0.462	56%	0.562	S	S	.	*	H	α-helix	trans	-68.1	-30.9	-179.7	55.5	0	0	0	0	113.6	K502 S503 F504	K502-S506 PolarHBondContact O-N 3.41Å; K502-S506 PolarHBondContact O-OG 2.78Å; S503-S506 PolarHBondContact O-OG 2.79Å; F504-S506 VanDerWaalsContact C-N 3.25Å; F504-S506 PolarHBondContact O-N 2.89Å
507	F	32.5	Very low	34.7	Very low	170 Å²	170	116.4 Å²	116.4	75%	0.746	57%	0.567	S	S	*	*	H	α-helix	trans	-75.6	-34.7	178.2	-86.1	-76.5	0	0	0	113.6	S503 F504 H505	S503-F507 WeakPolarHBondContact O-CD2 3.3Å; F504-F507 PolarHBondContact O-N 2.83Å; H505-F507 VanDerWaalsContact C-N 3.34Å; H505-F507 PolarHBondContact O-N 3.45Å
508	Y	32.2	Very low	35.9	Very low	151 Å²	151	115.2 Å²	115.2	59%	0.592	56%	0.561	S	S	*	*	H	α-helix	trans	-107	-18.5	-175.6	-77.7	-81.8	0	0	0	115.3	F504	F504-Y508 PolarHBondContact O-N 2.86Å
509	S	31.2	Very low	37.1	Very low	34 Å²	34	111.1 Å²	111.1	24%	0.238	54%	0.544	C	S	.	.	H	α-helix	trans	-89.7	-21.1	-175.6	73.3	0	0	0	0	115.3	H505 K511 Y512 S513	H505-S509 WeakPolarHBondContact ND1-CB 3.47Å; H505-S509 PolarHBondContact ND1-OG 2.82Å; H505-S509 VanDerWaalsContact ND1-OG 3.16Å; H505-S509 WeakPolarHBondContact O-CA 3.27Å; H505-S509 WeakPolarHBondContact O-CB 3.25Å; H505-S509 PolarHBondContact O-N 3.48Å; H505-S509 PolarHBondContact O-OG 2.92Å; S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 2.82Å; S509-Y512 PolarHBondContact O-N 2.75Å; S509-S513 PolarHBondContact O-N 3.15Å
510	N	31.9	Very low	38.6	Very low	138 Å²	138	113.3 Å²	113.3	74%	0.738	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-9.3	-179.7	-86.6	-2.2	0	0	0	114.6
511	K	38.7	Very low	40.6	Very low	183 Å²	183	115.7 Å²	115.7	80%	0.796	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-12.4	171.6	-88.9	-174.3	176.1	178.7	0	115.5	S509	S509-K511 VanDerWaalsContact C-N 3.26Å; S509-K511 PolarHBondContact O-N 2.82Å
512	Y	39.4	Very low	42.5	Very low	155 Å²	155	119.1 Å²	119.1	61%	0.608	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-8.3	-170.2	-69.7	-76.3	0	0	0	116.6	S509 L514 Y515 N516	S509-Y512 PolarHBondContact O-N 2.75Å; Y512-L514 VanDerWaalsContact C-N 3.27Å; Y512-L514 PolarHBondContact O-N 3.07Å; Y512-Y515 PolarHBondContact O-N 3.17Å; Y512-N516 PolarHBondContact O-N 3.2Å
513	S	36.3	Very low	44.6	Very low	80 Å²	80	116.4 Å²	116.4	56%	0.559	56%	0.559	S	S	*	*	H	α-helix	trans	-63.3	-37.1	174.6	71.2	0	0	0	0	111.9	S509 Y515 H517	S509-S513 PolarHBondContact O-N 3.15Å; S513-Y515 PolarHBondContact O-N 3.02Å; S513-H517 PolarHBondContact O-N 3.31Å
514	L	44.1	Very low	46.9	Very low	125 Å²	125	117.8 Å²	117.8	65%	0.654	57%	0.565	S	S	*	*	H	α-helix	trans	-66.6	-34.3	176.5	-109	150.7	0	0	0	112.6	Y512 H517 L518	Y512-L514 VanDerWaalsContact C-N 3.27Å; Y512-L514 PolarHBondContact O-N 3.07Å; L514-H517 PolarHBondContact O-N 3.49Å; L514-L518 HydrophobicContact CD2-CD1 4.1Å; L514-L518 HydrophobicContact CD2-CG 4.46Å; L514-L518 WeakPolarHBondContact O-CB 3.18Å; L514-L518 WeakPolarHBondContact O-CD1 3.5Å; L514-L518 VanDerWaalsContact O-CG 3.29Å; L514-L518 WeakPolarHBondContact O-CG 3.21Å; L514-L518 PolarHBondContact O-N 2.88Å
515	Y	44.7	Very low	49.4	Very low	146 Å²	146	115.5 Å²	115.5	57%	0.573	57%	0.567	S	S	*	*	H	α-helix	trans	-70.4	-40.5	-178	-153.5	-93.6	0	0	0	112.3	Y512 S513 L518 H519	Y512-Y515 PolarHBondContact O-N 3.17Å; S513-Y515 PolarHBondContact O-N 3.02Å; Y515-L518 PolarHBondContact O-N 3.04Å; Y515-H519 AromaticContact CE1-CD2 3.79Å; Y515-H519 WeakPolarHBondContact O-CB 3.35Å; Y515-H519 PolarHBondContact O-N 2.86Å
516	N	44.5	Very low	51.9	Low	117 Å²	117	113 Å²	113	63%	0.626	56%	0.563	S	S	*	*	H	α-helix	trans	-66.4	-37.8	174.5	-95.5	-3.5	0	0	0	112.1	Y512 I520	Y512-N516 PolarHBondContact O-N 3.2Å; N516-I520 WeakPolarHBondContact O-CG1 3.45Å; N516-I520 PolarHBondContact O-N 3.14Å; N516-I520 VanDerWaalsContact O-N 3.15Å
517	H	50.3	Low	54.4	Low	129 Å²	129	115.2 Å²	115.2	60%	0.597	57%	0.568	S	S	*	*	H	α-helix	trans	-67.5	-41.9	175.4	-123.4	58.2	0	0	0	111.7	S513 L514 I520 I521	S513-H517 PolarHBondContact O-N 3.31Å; L514-H517 PolarHBondContact O-N 3.49Å; H517-I520 PolarHBondContact O-N 2.75Å; H517-I521 WeakPolarHBondContact O-CB 3.38Å; H517-I521 WeakPolarHBondContact O-CD1 3.28Å; H517-I521 WeakPolarHBondContact O-CG1 3.36Å; H517-I521 PolarHBondContact O-N 2.91Å
518	L	55.7	Low	57.1	Low	96 Å²	96	113.1 Å²	113.1	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-62.6	-42.1	175.8	-78.8	160.1	0	0	0	112	L514 Y515 I520 I521 W522	L514-L518 HydrophobicContact CD2-CD1 4.1Å; L514-L518 HydrophobicContact CD2-CG 4.46Å; L514-L518 WeakPolarHBondContact O-CB 3.18Å; L514-L518 WeakPolarHBondContact O-CD1 3.5Å; L514-L518 VanDerWaalsContact O-CG 3.29Å; L514-L518 WeakPolarHBondContact O-CG 3.21Å; L514-L518 PolarHBondContact O-N 2.88Å; Y515-L518 PolarHBondContact O-N 3.04Å; L518-I520 PolarHBondContact O-N 3.01Å; L518-I521 PolarHBondContact O-N 3.43Å; L518-W522 WeakPolarHBondContact O-CB 3.43Å; L518-W522 PolarHBondContact O-N 3.19Å
519	H	56	Low	59.8	Low	90 Å²	90	111 Å²	111	42%	0.417	56%	0.563	S	S	.	*	H	α-helix	trans	-66.3	-38.9	179	-130.4	-79.4	0	0	0	112.4	Y515 W522 I523	Y515-H519 AromaticContact CE1-CD2 3.79Å; Y515-H519 WeakPolarHBondContact O-CB 3.35Å; Y515-H519 PolarHBondContact O-N 2.86Å; H519-W522 PolarHBondContact O-N 3.32Å; H519-I523 VanDerWaalsContact O-CG1 3.28Å; H519-I523 WeakPolarHBondContact O-CG1 3.31Å; H519-I523 PolarHBondContact O-N 3.35Å
520	I	61.7	Low	62.5	Low	104 Å²	104	111.9 Å²	111.9	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-65.9	-41.8	174.6	-68.7	168.6	0	0	0	110.3	N516 H517 L518 W522 I523 T524	N516-I520 WeakPolarHBondContact O-CG1 3.45Å; N516-I520 PolarHBondContact O-N 3.14Å; N516-I520 VanDerWaalsContact O-N 3.15Å; H517-I520 PolarHBondContact O-N 2.75Å; L518-I520 PolarHBondContact O-N 3.01Å; I520-W522 VanDerWaalsContact C-N 3.31Å; I520-W522 PolarHBondContact O-N 2.94Å; I520-I523 PolarHBondContact O-N 2.74Å; I520-T524 VanDerWaalsContact O-CB 3.27Å; I520-T524 WeakPolarHBondContact O-CB 3.27Å; I520-T524 PolarHBondContact O-N 3.49Å; I520-T524 PolarHBondContact O-OG1 3.49Å
521	I	72	Confident	65.3	Low	104 Å²	104	110.2 Å²	110.2	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-62.9	-39	174.3	-68.9	163.5	0	0	0	110.7	H517 L518 T524 G525	H517-I521 WeakPolarHBondContact O-CB 3.38Å; H517-I521 WeakPolarHBondContact O-CD1 3.28Å; H517-I521 WeakPolarHBondContact O-CG1 3.36Å; H517-I521 PolarHBondContact O-N 2.91Å; L518-I521 PolarHBondContact O-N 3.43Å; I521-T524 PolarHBondContact O-N 2.78Å; I521-G525 PolarHBondContact O-N 3.13Å
522	W	68.3	Low	67.9	Low	194 Å²	194	107.2 Å²	107.2	74%	0.735	55%	0.549	S	S	*	.	H	α-helix	trans	-69.5	-41.7	180	-137	60.7	0	0	0	112.6	L518 H519 I520 G525 S526	L518-W522 WeakPolarHBondContact O-CB 3.43Å; L518-W522 PolarHBondContact O-N 3.19Å; H519-W522 PolarHBondContact O-N 3.32Å; I520-W522 VanDerWaalsContact C-N 3.31Å; I520-W522 PolarHBondContact O-N 2.94Å; W522-G525 PolarHBondContact O-N 2.89Å; W522-S526 WeakPolarHBondContact O-CB 3.48Å; W522-S526 PolarHBondContact O-N 3.03Å; W522-S526 PolarHBondContact O-OG 2.93Å
523	I	75.4	Confident	70.3	Confident	106 Å²	106	104.5 Å²	104.5	54%	0.544	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-44.3	174.6	-68.6	166.2	0	0	0	110.1	H519 I520 S526 L527	H519-I523 VanDerWaalsContact O-CG1 3.28Å; H519-I523 WeakPolarHBondContact O-CG1 3.31Å; H519-I523 PolarHBondContact O-N 3.35Å; I520-I523 PolarHBondContact O-N 2.74Å; I523-S526 PolarHBondContact O-N 3.34Å; I523-L527 WeakPolarHBondContact O-CB 3.38Å; I523-L527 PolarHBondContact O-N 3.39Å
524	T	80.1	Confident	72.8	Confident	81 Å²	81	104.6 Å²	104.6	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-66.1	-39.9	178.6	-52.3	0	0	0	0	111.3	I520 I521 L527 L528	I520-T524 VanDerWaalsContact O-CB 3.27Å; I520-T524 WeakPolarHBondContact O-CB 3.27Å; I520-T524 PolarHBondContact O-N 3.49Å; I520-T524 PolarHBondContact O-OG1 3.49Å; I521-T524 PolarHBondContact O-N 2.78Å; T524-L527 PolarHBondContact O-N 2.88Å; T524-L528 WeakPolarHBondContact O-CB 3.42Å; T524-L528 PolarHBondContact O-N 3.32Å
525	G	82	Confident	75.2	Confident	40 Å²	40	104.3 Å²	104.3	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.6	0	0	0	0	0	112.7	I521 W522 L527 L528 L529	I521-G525 PolarHBondContact O-N 3.13Å; W522-G525 PolarHBondContact O-N 2.89Å; G525-L527 VanDerWaalsContact C-N 3.35Å; G525-L527 PolarHBondContact O-N 3.29Å; G525-L528 PolarHBondContact O-N 3.28Å; G525-L529 WeakPolarHBondContact O-CB 3.4Å; G525-L529 PolarHBondContact O-N 2.87Å
526	S	81.4	Confident	77.5	Confident	65 Å²	65	101.4 Å²	101.4	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-39.4	175.9	-60.6	0	0	0	0	111.9	W522 I523 A530	W522-S526 WeakPolarHBondContact O-CB 3.48Å; W522-S526 PolarHBondContact O-N 3.03Å; W522-S526 PolarHBondContact O-OG 2.93Å; I523-S526 PolarHBondContact O-N 3.34Å; S526-A530 WeakPolarHBondContact O-CB 2.9Å; S526-A530 PolarHBondContact O-N 3.04Å
527	L	83.3	Confident	79.7	Confident	111 Å²	111	98.1 Å²	98.1	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-64.7	-45.7	174.6	-173.9	77.1	0	0	0	111.6	I523 T524 G525 L529 A530 I531	I523-L527 WeakPolarHBondContact O-CB 3.38Å; I523-L527 PolarHBondContact O-N 3.39Å; T524-L527 PolarHBondContact O-N 2.88Å; G525-L527 VanDerWaalsContact C-N 3.35Å; G525-L527 PolarHBondContact O-N 3.29Å; L527-L529 VanDerWaalsContact C-N 3.33Å; L527-L529 PolarHBondContact O-N 3.37Å; L527-A530 PolarHBondContact O-N 2.95Å; L527-I531 HydrophobicContact CG-CD1 4.23Å; L527-I531 WeakPolarHBondContact O-CG1 3.4Å; L527-I531 PolarHBondContact O-N 2.76Å
528	L	89.4	Confident	81.7	Confident	127 Å²	127	96.5 Å²	96.5	67%	0.665	51%	0.513	S	S	*	.	H	α-helix	trans	-62.8	-40.6	178.4	-163.5	108.5	0	0	0	111.6	T524 G525 I531 F532	T524-L528 WeakPolarHBondContact O-CB 3.42Å; T524-L528 PolarHBondContact O-N 3.32Å; G525-L528 PolarHBondContact O-N 3.28Å; L528-I531 PolarHBondContact O-N 3Å; L528-F532 PolarHBondContact O-N 3.48Å
529	L	88.7	Confident	83.5	Confident	105 Å²	105	95.3 Å²	95.3	55%	0.55	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-43.6	175.3	-175.5	68.5	0	0	0	111.5	G525 L527 I531 F532 I533	G525-L529 WeakPolarHBondContact O-CB 3.4Å; G525-L529 PolarHBondContact O-N 2.87Å; L527-L529 VanDerWaalsContact C-N 3.33Å; L527-L529 PolarHBondContact O-N 3.37Å; L529-I531 VanDerWaalsContact C-N 3.33Å; L529-I531 PolarHBondContact O-N 3.12Å; L529-F532 PolarHBondContact O-N 2.78Å; L529-I533 HydrophobicContact CD1-CD1 4.46Å; L529-I533 HydrophobicContact CG-CD1 4.02Å; L529-I533 WeakPolarHBondContact O-CG1 3.07Å; L529-I533 PolarHBondContact O-N 3.07Å
530	A	88.8	Confident	85.3	Confident	53 Å²	53	97.9 Å²	97.9	44%	0.438	52%	0.517	S	S	.	.	H	α-helix	trans	-62	-40.3	176.6	0	0	0	0	0	112.1	S526 L527 F532 I533 T534	S526-A530 WeakPolarHBondContact O-CB 2.9Å; S526-A530 PolarHBondContact O-N 3.04Å; L527-A530 PolarHBondContact O-N 2.95Å; A530-F532 VanDerWaalsContact C-N 3.34Å; A530-I533 PolarHBondContact O-N 2.92Å; A530-T534 WeakPolarHBondContact O-CG2 3.27Å; A530-T534 PolarHBondContact O-N 2.75Å; A530-T534 VanDerWaalsContact O-N 3.07Å; A530-T534 PolarHBondContact O-OG1 3.41Å
531	I	90	Very high	86.7	Confident	103 Å²	103	97.7 Å²	97.7	53%	0.528	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-39.5	174.3	-66.6	166.8	0	0	0	110.9	L527 L528 L529 T534 F535	L527-I531 HydrophobicContact CG-CD1 4.23Å; L527-I531 WeakPolarHBondContact O-CG1 3.4Å; L527-I531 PolarHBondContact O-N 2.76Å; L528-I531 PolarHBondContact O-N 3Å; L529-I531 VanDerWaalsContact C-N 3.33Å; L529-I531 PolarHBondContact O-N 3.12Å; I531-T534 WeakPolarHBondContact CA-OG1 3.1Å; I531-T534 PolarHBondContact O-N 2.83Å; I531-T534 PolarHBondContact O-OG1 2.73Å; I531-F535 PolarHBondContact O-N 2.99Å
532	F	93	Very high	87.6	Confident	121 Å²	121	96.8 Å²	96.8	53%	0.531	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-43.5	178	-169.4	-105.7	0	0	0	112.6	L528 L529 A530 T534 F535 L536	L528-F532 PolarHBondContact O-N 3.48Å; L529-F532 PolarHBondContact O-N 2.78Å; A530-F532 VanDerWaalsContact C-N 3.34Å; F532-T534 VanDerWaalsContact C-N 3.32Å; F532-T534 PolarHBondContact O-N 3.05Å; F532-F535 PolarHBondContact O-N 3.29Å; F532-L536 HydrophobicContact CD1-CD1 3.78Å; F532-L536 HydrophobicContact CD1-CG 4.23Å; F532-L536 HydrophobicContact CE1-CD1 3.43Å; F532-L536 VanDerWaalsContact CE1-CD1 3.43Å; F532-L536 HydrophobicContact CE1-CD2 4.45Å; F532-L536 HydrophobicContact CE1-CG 3.96Å; F532-L536 HydrophobicContact CZ-CD1 4.14Å; F532-L536 HydrophobicContact CZ-CD2 4.36Å; F532-L536 HydrophobicContact CZ-CG 4.27Å; F532-L536 WeakPolarHBondContact O-CG 3.5Å; F532-L536 PolarHBondContact O-N 3.45Å
533	I	90.4	Very high	88.7	Confident	98 Å²	98	91.7 Å²	91.7	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-41.9	176.9	-68.3	167.9	0	0	0	110.7	L529 A530 L536 A537	L529-I533 HydrophobicContact CD1-CD1 4.46Å; L529-I533 HydrophobicContact CG-CD1 4.02Å; L529-I533 WeakPolarHBondContact O-CG1 3.07Å; L529-I533 PolarHBondContact O-N 3.07Å; A530-I533 PolarHBondContact O-N 2.92Å; I533-L536 PolarHBondContact O-N 2.61Å; I533-A537 WeakPolarHBondContact O-CB 3.11Å; I533-A537 PolarHBondContact O-N 3.49Å
534	T	89.9	Confident	89.4	Confident	81 Å²	81	92.6 Å²	92.6	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-39.3	177.4	49.2	0	0	0	0	112	A530 I531 F532 A537 I538	A530-T534 WeakPolarHBondContact O-CG2 3.27Å; A530-T534 PolarHBondContact O-N 2.75Å; A530-T534 VanDerWaalsContact O-N 3.07Å; A530-T534 PolarHBondContact O-OG1 3.41Å; I531-T534 WeakPolarHBondContact CA-OG1 3.1Å; I531-T534 PolarHBondContact O-N 2.83Å; I531-T534 PolarHBondContact O-OG1 2.73Å; F532-T534 VanDerWaalsContact C-N 3.32Å; F532-T534 PolarHBondContact O-N 3.05Å; T534-A537 PolarHBondContact O-N 3.27Å; T534-I538 VanDerWaalsContact O-CG1 3.31Å; T534-I538 WeakPolarHBondContact O-CG1 3.44Å; T534-I538 PolarHBondContact O-N 2.87Å
535	F	93.9	Very high	89.9	Confident	119 Å²	119	90.8 Å²	90.8	52%	0.522	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-42.8	173.7	-170.7	-103.2	0	0	0	112.6	I531 F532 A537 I538 L539	I531-F535 PolarHBondContact O-N 2.99Å; F532-F535 PolarHBondContact O-N 3.29Å; F535-A537 VanDerWaalsContact C-N 3.35Å; F535-A537 PolarHBondContact O-N 3.01Å; F535-I538 PolarHBondContact O-N 2.83Å; F535-L539 HydrophobicContact CD1-CD1 3.73Å; F535-L539 HydrophobicContact CD1-CG 4.22Å; F535-L539 HydrophobicContact CE1-CD1 3.4Å; F535-L539 VanDerWaalsContact CE1-CD1 3.4Å; F535-L539 HydrophobicContact CE1-CG 3.94Å; F535-L539 HydrophobicContact CZ-CD1 4.19Å; F535-L539 HydrophobicContact CZ-CG 4.33Å; F535-L539 PolarHBondContact O-N 2.9Å
536	L	92.4	Very high	90.1	Very high	85 Å²	85	93.7 Å²	93.7	45%	0.445	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-40.6	174.5	-74.9	179.6	0	0	0	112.3	F532 I533 I538 L539 F540	F532-L536 HydrophobicContact CD1-CD1 3.78Å; F532-L536 HydrophobicContact CD1-CG 4.23Å; F532-L536 HydrophobicContact CE1-CD1 3.43Å; F532-L536 VanDerWaalsContact CE1-CD1 3.43Å; F532-L536 HydrophobicContact CE1-CD2 4.45Å; F532-L536 HydrophobicContact CE1-CG 3.96Å; F532-L536 HydrophobicContact CZ-CD1 4.14Å; F532-L536 HydrophobicContact CZ-CD2 4.36Å; F532-L536 HydrophobicContact CZ-CG 4.27Å; F532-L536 WeakPolarHBondContact O-CG 3.5Å; F532-L536 PolarHBondContact O-N 3.45Å; I533-L536 PolarHBondContact O-N 2.61Å; L536-I538 VanDerWaalsContact C-N 3.34Å; L536-L539 PolarHBondContact O-N 2.84Å; L536-F540 WeakPolarHBondContact O-CB 3.49Å; L536-F540 PolarHBondContact O-N 2.86Å
537	A	92.1	Very high	90.4	Very high	48 Å²	48	94.2 Å²	94.2	40%	0.397	50%	0.502	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.6	0	0	0	0	0	111.4	I533 T534 F535 F540 I541	I533-A537 WeakPolarHBondContact O-CB 3.11Å; I533-A537 PolarHBondContact O-N 3.49Å; T534-A537 PolarHBondContact O-N 3.27Å; F535-A537 VanDerWaalsContact C-N 3.35Å; F535-A537 PolarHBondContact O-N 3.01Å; A537-F540 PolarHBondContact O-N 3.39Å; A537-I541 WeakPolarHBondContact O-CD1 3.48Å; A537-I541 VanDerWaalsContact O-CG1 3.24Å; A537-I541 WeakPolarHBondContact O-CG1 2.95Å; A537-I541 PolarHBondContact O-N 2.75Å
538	I	92.3	Very high	90.4	Very high	95 Å²	95	91.7 Å²	91.7	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-45.9	175.5	-67.8	164.4	0	0	0	110.8	T534 F535 L536 F540 I541 I542	T534-I538 VanDerWaalsContact O-CG1 3.31Å; T534-I538 WeakPolarHBondContact O-CG1 3.44Å; T534-I538 PolarHBondContact O-N 2.87Å; F535-I538 PolarHBondContact O-N 2.83Å; L536-I538 VanDerWaalsContact C-N 3.34Å; I538-F540 VanDerWaalsContact C-N 3.31Å; I538-F540 PolarHBondContact O-N 2.75Å; I538-I541 PolarHBondContact O-N 3.43Å; I538-I542 HydrophobicContact CG2-CD1 3.79Å; I538-I542 HydrophobicContact CG2-CG1 4.42Å; I538-I542 VanDerWaalsContact O-CG1 3.32Å; I538-I542 WeakPolarHBondContact O-CG1 3.48Å; I538-I542 PolarHBondContact O-N 2.92Å
539	L	92.5	Very high	89.8	Confident	72 Å²	72	90.9 Å²	90.9	38%	0.377	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-40.9	175.7	-79.5	177.2	0	0	0	112.3	F535 L536 I542 T543	F535-L539 HydrophobicContact CD1-CD1 3.73Å; F535-L539 HydrophobicContact CD1-CG 4.22Å; F535-L539 HydrophobicContact CE1-CD1 3.4Å; F535-L539 VanDerWaalsContact CE1-CD1 3.4Å; F535-L539 HydrophobicContact CE1-CG 3.94Å; F535-L539 HydrophobicContact CZ-CD1 4.19Å; F535-L539 HydrophobicContact CZ-CG 4.33Å; F535-L539 PolarHBondContact O-N 2.9Å; L536-L539 PolarHBondContact O-N 2.84Å; L539-I542 PolarHBondContact O-N 2.9Å; L539-T543 WeakPolarHBondContact O-CB 3.4Å; L539-T543 PolarHBondContact O-N 3.45Å; L539-T543 PolarHBondContact O-OG1 3.06Å
540	F	93.2	Very high	89.4	Confident	143 Å²	143	89.6 Å²	89.6	63%	0.627	48%	0.484	S	S	*	.	H	α-helix	trans	-61.7	-45.6	175.6	179.7	-98.5	0	0	0	111.1	L536 A537 I538 I542 T543 F544	L536-F540 WeakPolarHBondContact O-CB 3.49Å; L536-F540 PolarHBondContact O-N 2.86Å; A537-F540 PolarHBondContact O-N 3.39Å; I538-F540 VanDerWaalsContact C-N 3.31Å; I538-F540 PolarHBondContact O-N 2.75Å; F540-I542 PolarHBondContact O-N 2.95Å; F540-T543 PolarHBondContact O-N 2.88Å; F540-F544 VanDerWaalsContact O-CB 3.22Å; F540-F544 WeakPolarHBondContact O-CB 3.21Å; F540-F544 PolarHBondContact O-N 2.01Å
541	I	91.6	Very high	88.8	Confident	101 Å²	101	91.6 Å²	91.6	52%	0.518	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-42.3	177.6	-67.6	163.8	0	0	0	111.2	A537 I538 S545	A537-I541 WeakPolarHBondContact O-CD1 3.48Å; A537-I541 VanDerWaalsContact O-CG1 3.24Å; A537-I541 WeakPolarHBondContact O-CG1 2.95Å; A537-I541 PolarHBondContact O-N 2.75Å; I538-I541 PolarHBondContact O-N 3.43Å; I541-S545 VanDerWaalsContact O-CB 3.24Å; I541-S545 WeakPolarHBondContact O-CB 3.07Å; I541-S545 PolarHBondContact O-N 3.05Å; I541-S545 PolarHBondContact O-OG 3.36Å
542	I	91.7	Very high	88	Confident	85 Å²	85	89.9 Å²	89.9	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-47.1	176.6	-68.3	167.9	0	0	0	110.4	I538 L539 F540 F544 S545 L546	I538-I542 HydrophobicContact CG2-CD1 3.79Å; I538-I542 HydrophobicContact CG2-CG1 4.42Å; I538-I542 VanDerWaalsContact O-CG1 3.32Å; I538-I542 WeakPolarHBondContact O-CG1 3.48Å; I538-I542 PolarHBondContact O-N 2.92Å; L539-I542 PolarHBondContact O-N 2.9Å; F540-I542 PolarHBondContact O-N 2.95Å; I542-F544 PolarHBondContact O-N 3.31Å; I542-S545 PolarHBondContact O-N 2.86Å; I542-L546 HydrophobicContact CG2-CD1 3.95Å; I542-L546 WeakPolarHBondContact O-CB 3.42Å; I542-L546 WeakPolarHBondContact O-CG 3.06Å; I542-L546 PolarHBondContact O-N 2.82Å
543	T	91.3	Very high	86.5	Confident	86 Å²	86	94 Å²	94	53%	0.528	49%	0.489	S	S	.	.	H	α-helix	trans	-64	-42.9	-179.8	-53	0	0	0	0	111.3	L539 F540 S545 L546 S547	L539-T543 WeakPolarHBondContact O-CB 3.4Å; L539-T543 PolarHBondContact O-N 3.45Å; L539-T543 PolarHBondContact O-OG1 3.06Å; F540-T543 PolarHBondContact O-N 2.88Å; T543-S545 VanDerWaalsContact C-N 3.35Å; T543-L546 PolarHBondContact O-N 3.07Å; T543-S547 WeakPolarHBondContact O-CB 3.36Å; T543-S547 PolarHBondContact O-N 2.73Å
544	F	89.8	Confident	85	Confident	125 Å²	125	96.7 Å²	96.7	55%	0.548	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-44.4	176.3	-175.8	-101.3	0	0	0	110.9	F540 I542 L546 S547 V548	F540-F544 VanDerWaalsContact O-CB 3.22Å; F540-F544 WeakPolarHBondContact O-CB 3.21Å; F540-F544 PolarHBondContact O-N 2.01Å; I542-F544 PolarHBondContact O-N 3.31Å; F544-L546 PolarHBondContact O-N 3.08Å; F544-S547 WeakPolarHBondContact O-CB 3.38Å; F544-S547 PolarHBondContact O-N 3.26Å; F544-V548 HydrophobicContact CD1-CG2 4.26Å; F544-V548 HydrophobicContact CE1-CG2 3.91Å; F544-V548 HydrophobicContact CZ-CG2 4.05Å; F544-V548 WeakPolarHBondContact O-CG2 3.45Å; F544-V548 PolarHBondContact O-N 3.45Å
545	S	89.8	Confident	83.4	Confident	44 Å²	44	96.8 Å²	96.8	31%	0.308	50%	0.495	S	S	.	.	H	α-helix	trans	-63.3	-42.7	178	-60.7	0	0	0	0	111.8	I541 I542 T543 V548 M549	I541-S545 VanDerWaalsContact O-CB 3.24Å; I541-S545 WeakPolarHBondContact O-CB 3.07Å; I541-S545 PolarHBondContact O-N 3.05Å; I541-S545 PolarHBondContact O-OG 3.36Å; I542-S545 PolarHBondContact O-N 2.86Å; T543-S545 VanDerWaalsContact C-N 3.35Å; S545-V548 PolarHBondContact O-N 2.88Å; S545-M549 WeakPolarHBondContact O-CG 3.42Å; S545-M549 PolarHBondContact O-N 3.42Å
546	L	87	Confident	81.6	Confident	100 Å²	100	95 Å²	95	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-39.3	173.9	-74.8	169.1	0	0	0	112.5	I542 T543 F544 M549 C550	I542-L546 HydrophobicContact CG2-CD1 3.95Å; I542-L546 WeakPolarHBondContact O-CB 3.42Å; I542-L546 WeakPolarHBondContact O-CG 3.06Å; I542-L546 PolarHBondContact O-N 2.82Å; T543-L546 PolarHBondContact O-N 3.07Å; F544-L546 PolarHBondContact O-N 3.08Å; L546-M549 PolarHBondContact O-N 3.26Å; L546-C550 WeakPolarHBondContact O-CB 3.13Å; L546-C550 PolarHBondContact O-N 3.14Å; L546-C550 PolarHBondContact O-SG 2.97Å
547	S	88.1	Confident	79.5	Confident	76 Å²	76	98 Å²	98	53%	0.531	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-46.4	175.5	-177	0	0	0	0	111.4	T543 F544 M549 C550 N551	T543-S547 WeakPolarHBondContact O-CB 3.36Å; T543-S547 PolarHBondContact O-N 2.73Å; F544-S547 WeakPolarHBondContact O-CB 3.38Å; F544-S547 PolarHBondContact O-N 3.26Å; S547-M549 PolarHBondContact O-N 3.08Å; S547-C550 PolarHBondContact O-N 2.99Å; S547-N551 WeakPolarHBondContact O-CB 3.1Å; S547-N551 PolarHBondContact O-N 2.8Å
548	V	82.5	Confident	77.6	Confident	58 Å²	58	101 Å²	101	35%	0.352	51%	0.51	S	S	.	.	H	α-helix	trans	-61.2	-45.5	175.7	173.3	0	0	0	0	110.9	F544 S545 C550 N551 Q552	F544-V548 HydrophobicContact CD1-CG2 4.26Å; F544-V548 HydrophobicContact CE1-CG2 3.91Å; F544-V548 HydrophobicContact CZ-CG2 4.05Å; F544-V548 WeakPolarHBondContact O-CG2 3.45Å; F544-V548 PolarHBondContact O-N 3.45Å; S545-V548 PolarHBondContact O-N 2.88Å; V548-C550 PolarHBondContact O-N 3.23Å; V548-N551 PolarHBondContact O-N 3.17Å; V548-Q552 WeakPolarHBondContact O-CG 3.12Å; V548-Q552 PolarHBondContact O-N 3.21Å
549	M	77.4	Confident	75.5	Confident	110 Å²	110	101.2 Å²	101.2	54%	0.542	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-40.9	177	-74	-170.5	74.9	0	0	112.9	S545 L546 S547 N551 Q552 R553	S545-M549 WeakPolarHBondContact O-CG 3.42Å; S545-M549 PolarHBondContact O-N 3.42Å; L546-M549 PolarHBondContact O-N 3.26Å; S547-M549 PolarHBondContact O-N 3.08Å; M549-N551 VanDerWaalsContact C-N 3.34Å; M549-Q552 PolarHBondContact O-N 2.67Å; M549-R553 PolarHBondContact O-N 3.05Å
550	C	79.8	Confident	73.4	Confident	79 Å²	79	101.8 Å²	101.8	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-65.9	-38.4	176.6	-71.7	0	0	0	0	111.7	L546 S547 V548 R553 K554	L546-C550 WeakPolarHBondContact O-CB 3.13Å; L546-C550 PolarHBondContact O-N 3.14Å; L546-C550 PolarHBondContact O-SG 2.97Å; S547-C550 PolarHBondContact O-N 2.99Å; V548-C550 PolarHBondContact O-N 3.23Å; C550-R553 PolarHBondContact O-N 2.88Å; C550-K554 PolarHBondContact O-N 3.07Å; C550-K554 VanDerWaalsContact O-N 3.12Å
551	N	76.6	Confident	71.2	Confident	95 Å²	95	101.1 Å²	101.1	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-40	177.3	-157.9	27.1	0	0	0	111.6	S547 V548 M549 R553 K554 N555	S547-N551 WeakPolarHBondContact O-CB 3.1Å; S547-N551 PolarHBondContact O-N 2.8Å; V548-N551 PolarHBondContact O-N 3.17Å; M549-N551 VanDerWaalsContact C-N 3.34Å; N551-R553 PolarHBondContact O-N 3.19Å; N551-K554 PolarHBondContact O-N 2.71Å; N551-N555 PolarHBondContact O-N 3.48Å
552	Q	72.6	Confident	68.9	Low	67 Å²	67	100.9 Å²	100.9	31%	0.313	52%	0.522	S	S	.	.	H	α-helix	trans	-60.8	-41.9	173.5	-74.1	-179.7	-7.2	0	0	112.1	Y22 V548 M549 K554 N555 I556	Y22-Q552 PolarHBondContact OH-NE2 3.18Å; V548-Q552 WeakPolarHBondContact O-CG 3.12Å; V548-Q552 PolarHBondContact O-N 3.21Å; M549-Q552 PolarHBondContact O-N 2.67Å; Q552-K554 PolarHBondContact O-N 2.89Å; Q552-N555 PolarHBondContact O-N 3.45Å; Q552-I556 WeakPolarHBondContact O-CG1 3.45Å; Q552-I556 PolarHBondContact O-N 2.75Å
553	R	62.3	Low	66.6	Low	206 Å²	206	101.5 Å²	101.5	78%	0.777	53%	0.529	S	S	*	.	H	α-helix	trans	-62.7	-38.8	174.8	-94.4	-170.7	-179.2	-173.8	1.6	113.1	M549 C550 N551 N555 I556 H557	M549-R553 PolarHBondContact O-N 3.05Å; C550-R553 PolarHBondContact O-N 2.88Å; N551-R553 PolarHBondContact O-N 3.19Å; R553-N555 VanDerWaalsContact C-N 3.34Å; R553-I556 PolarHBondContact O-N 3.35Å; R553-H557 PolarHBondContact O-N 2.97Å; R553-H557 VanDerWaalsContact O-N 3.07Å
554	K	57.3	Low	64.1	Low	156 Å²	156	103.9 Å²	103.9	68%	0.678	54%	0.539	S	S	*	.	H	α-helix	trans	-62.9	-41.8	175.1	-77.5	-176	178.6	177.9	0	111.6	C550 N551 Q552 H557 L558	C550-K554 PolarHBondContact O-N 3.07Å; C550-K554 VanDerWaalsContact O-N 3.12Å; N551-K554 PolarHBondContact O-N 2.71Å; Q552-K554 PolarHBondContact O-N 2.89Å; K554-H557 PolarHBondContact O-N 3.47Å; K554-L558 WeakPolarHBondContact O-CB 3.07Å; K554-L558 PolarHBondContact O-N 3Å
555	N	56.3	Low	61.6	Low	82 Å²	82	104.4 Å²	104.4	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-70.5	-34.3	178.4	-74.2	-15	0	0	0	112.9	N551 Q552 R553 L558 N559	N551-N555 PolarHBondContact O-N 3.48Å; Q552-N555 PolarHBondContact O-N 3.45Å; R553-N555 VanDerWaalsContact C-N 3.34Å; N555-L558 PolarHBondContact O-N 3.03Å; N555-N559 VanDerWaalsContact O-CB 3.24Å; N555-N559 WeakPolarHBondContact O-CB 2.92Å; N555-N559 VanDerWaalsContact O-CG 3.23Å; N555-N559 PolarHBondContact O-N 2.87Å
556	I	55.9	Low	59	Low	83 Å²	83	110 Å²	110	43%	0.426	57%	0.574	S	S	.	*	H	α-helix	trans	-67	-39.6	174.9	-66.1	164.6	0	0	0	110.6	Q552 R553 L558 N560	Q552-I556 WeakPolarHBondContact O-CG1 3.45Å; Q552-I556 PolarHBondContact O-N 2.75Å; R553-I556 PolarHBondContact O-N 3.35Å; I556-L558 VanDerWaalsContact C-N 3.33Å; I556-L558 PolarHBondContact O-N 2.9Å; I556-N560 WeakPolarHBondContact O-CB 3.06Å; I556-N560 PolarHBondContact O-N 2.04Å
557	H	48.4	Very low	56.4	Low	146 Å²	146	113.3 Å²	113.3	68%	0.676	59%	0.591	S	S	*	*	H	α-helix	trans	-72.2	-27.5	177.5	-138	-67.3	0	0	0	113	R553 K554	R553-H557 PolarHBondContact O-N 2.97Å; R553-H557 VanDerWaalsContact O-N 3.07Å; K554-H557 PolarHBondContact O-N 3.47Å
558	L	52.1	Low	53.6	Low	113 Å²	113	114.7 Å²	114.7	59%	0.592	60%	0.601	S	S	*	*	H	α-helix	trans	-79.9	-36.4	175.2	-153.6	72.6	0	0	0	112	K554 N555 I556 L561 T562	K554-L558 WeakPolarHBondContact O-CB 3.07Å; K554-L558 PolarHBondContact O-N 3Å; N555-L558 PolarHBondContact O-N 3.03Å; I556-L558 VanDerWaalsContact C-N 3.33Å; I556-L558 PolarHBondContact O-N 2.9Å; L558-L561 PolarHBondContact O-N 2.96Å; L558-T562 PolarHBondContact O-N 2.94Å; L558-T562 PolarHBondContact O-OG1 2.72Å; L558-T562 VanDerWaalsContact O-OG1 3.13Å
559	N	49.5	Very low	51.3	Low	99 Å²	99	118 Å²	118	53%	0.529	63%	0.626	S	S	.	*	H	α-helix	trans	-74.9	-30.3	178.9	-73.2	-1.4	0	0	0	113	N555 L561 T562 T563	N555-N559 VanDerWaalsContact O-CB 3.24Å; N555-N559 WeakPolarHBondContact O-CB 2.92Å; N555-N559 VanDerWaalsContact O-CG 3.23Å; N555-N559 PolarHBondContact O-N 2.87Å; N559-L561 VanDerWaalsContact C-N 3.29Å; N559-T562 WeakPolarHBondContact CA-OG1 3.4Å; N559-T562 PolarHBondContact O-N 3.22Å; N559-T562 PolarHBondContact O-OG1 2.79Å; N559-T563 PolarHBondContact O-N 2.88Å; N559-T563 PolarHBondContact O-OG1 3.05Å
560	N	48.2	Very low	49	Very low	83 Å²	83	121.4 Å²	121.4	44%	0.444	64%	0.641	S	S	.	*	H	α-helix	trans	-73.3	-21.4	170.5	-85	7.6	0	0	0	112.6	I556	I556-N560 WeakPolarHBondContact O-CB 3.06Å; I556-N560 PolarHBondContact O-N 2.04Å
561	L	46.5	Very low	46.5	Very low	130 Å²	130	124.5 Å²	124.5	68%	0.681	65%	0.652	S	S	*	*	H	α-helix	trans	-82.7	-20.5	173.7	-138.4	82.2	0	0	0	112.8	L558 N559	L558-L561 PolarHBondContact O-N 2.96Å; N559-L561 VanDerWaalsContact C-N 3.29Å
562	T	44.5	Very low	44.3	Very low	96 Å²	96	129.1 Å²	129.1	59%	0.589	67%	0.671	S	S	*	*	H	α-helix	trans	-93.8	-7.9	178.8	44.7	0	0	0	0	114.3	L558 N559	L558-T562 PolarHBondContact O-N 2.94Å; L558-T562 PolarHBondContact O-OG1 2.72Å; L558-T562 VanDerWaalsContact O-OG1 3.13Å; N559-T562 WeakPolarHBondContact CA-OG1 3.4Å; N559-T562 PolarHBondContact O-N 3.22Å; N559-T562 PolarHBondContact O-OG1 2.79Å
563	T	42.4	Very low	42.3	Very low	97 Å²	97	135.4 Å²	135.4	60%	0.595	70%	0.697	S	S	*	*	S	Bend	trans	-90.6	-12.3	179.1	21.9	0	0	0	0	115.3	N559 N565	N559-T563 PolarHBondContact O-N 2.88Å; N559-T563 PolarHBondContact O-OG1 3.05Å; T563-N565 VanDerWaalsContact C-N 3.32Å; T563-N565 PolarHBondContact O-N 3.1Å
564	D	38	Very low	40.8	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	7.3	178.8	-80	-16.8	0	0	0	114.7
565	N	38.7	Very low	39.3	Very low	137 Å²	137	133.6 Å²	133.6	73%	0.733	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	18.7	-177.7	-81	-11.9	0	0	0	115.8	T563	T563-N565 VanDerWaalsContact C-N 3.32Å; T563-N565 PolarHBondContact O-N 3.1Å
566	N	35.3	Very low	38.1	Very low	162 Å²	162	135.7 Å²	135.7	87%	0.866	72%	0.722	S	S	*	*	S	Bend	trans	-137.2	9.6	173.2	-91.9	-27.9	0	0	0	116.3
567	L	31.6	Very low	36.8	Very low	168 Å²	168	138.8 Å²	138.8	88%	0.88	74%	0.739	S	S	*	*	S	Bend	trans	-95.7	98.3	158.4	-97.9	91.7	0	0	0	109
568	S	29	Very low	35.8	Very low	106 Å²	106	140 Å²	140	74%	0.741	74%	0.743	S	S	*	*			trans	135.9	76.9	153.1	179.8	0	0	0	0	113.1
569	S	34	Very low	34.8	Very low	126 Å²	126	142.7 Å²	142.7	88%	0.881	75%	0.752	S	S	*	*	S	Bend	trans	-138.1	55.6	144.5	72.2	0	0	0	0	110.5
570	Q	28.9	Very low	33.8	Very low	182 Å²	182	144.9 Å²	144.9	85%	0.85	76%	0.763	S	S	*	*	S	Bend	trans	-141.1	67.1	149	-148.8	-178.3	44.4	0	0	107.6
571	N	28.5	Very low	33	Very low	144 Å²	144	149.5 Å²	149.5	77%	0.77	78%	0.782	S	S	*	*			trans	-172.6	105	137.1	-98.2	-24	0	0	0	110.6	K573	N571-K573 PolarHBondContact O-N 2.9Å; N571-K573 VanDerWaalsContact O-N 3.09Å
572	E	30	Very low	32	Very low	193 Å²	193	148.7 Å²	148.7	90%	0.902	78%	0.778	S	S	*	*			trans	-51.4	105.1	150.6	-122.1	-177.6	160.7	0	0	109.4
573	K	30.2	Very low	31.2	Very low	199 Å²	199	155.9 Å²	155.9	87%	0.865	79%	0.794	S	S	*	*			trans	167.3	85.6	142.3	-96.1	173.4	-179.4	175.9	0	109.3	N571	N571-K573 PolarHBondContact O-N 2.9Å; N571-K573 VanDerWaalsContact O-N 3.09Å
574	C	30.8	Very low	30.3	Very low	138 Å²	138	161.6 Å²	161.6	93%	0.932	81%	0.805	S	S	*	*			trans	-162.9	94.9	136.9	-96.2	0	0	0	0	108.7
575	K	26	Very low	29.8	Very low	186 Å²	186	164.1 Å²	164.1	81%	0.809	81%	0.81	S	S	*	*			trans	-58.7	147.1	162.9	-117.8	175	174	173	0	110
576	N	31.4	Very low	29.1	Very low	125 Å²	125	165.4 Å²	165.4	67%	0.668	82%	0.816	S	S	*	*			trans	75.5	104.9	152.3	-53	-16.1	0	0	0	118.2
577	N	29.1	Very low	28.6	Very low	148 Å²	148	168.4 Å²	168.4	79%	0.791	82%	0.816	S	S	*	*				168.5	120.7	104.8	-85.6	-28.7	0	0	0	113.5
578	K	27.6	Very low	28.3	Very low	172 Å²	172	168.6 Å²	168.6	75%	0.748	82%	0.817	S	S	*	*			trans	61.2	131.3	141	-70.9	-175.6	173.1	-175.4	0	123
579	E	31.2	Very low	28.2	Very low	170 Å²	170	170.2 Å²	170.2	79%	0.794	82%	0.817	S	S	*	*			trans	65.2	101.5	145.2	-68.3	167.3	178.4	0	0	116.6
580	L	28.1	Very low	27.8	Very low	144 Å²	144	172.9 Å²	172.9	75%	0.754	82%	0.816	S	S	*	*			cis	59.2	93.3	49.8	-142.1	146.7	0	0	0	114.2
581	H	30.9	Very low	27.7	Very low	181 Å²	181	171.3 Å²	171.3	84%	0.838	81%	0.808	S	S	*	*			trans	-153.2	96.6	144.7	-103.9	-58.6	0	0	0	113.4
582	N	25.9	Very low	27.7	Very low	112 Å²	112	173.2 Å²	173.2	60%	0.599	81%	0.812	S	S	*	*			trans	25.4	119.3	134.8	-82.5	-36.8	0	0	0	119.9
583	R	26.8	Very low	27.6	Very low	248 Å²	248	171 Å²	171	94%	0.936	80%	0.802	S	S	*	*				-156.5	107.5	119.4	-124.9	174.9	178.5	-178.8	0.2	113
584	R	23.9	Very low	27.5	Very low	216 Å²	216	168.3 Å²	168.3	82%	0.815	79%	0.792	S	S	*	*			trans	-59.7	144	166.5	-64.7	171.3	177.4	173.2	-3.2	111.2
585	K	27.6	Very low	27.4	Very low	190 Å²	190	168.4 Å²	168.4	83%	0.826	78%	0.779	S	S	*	*			trans	-136.8	125.7	147.1	-76.8	-169.8	177.6	-179.9	0	109.1
586	L	24	Very low	27.5	Very low	164 Å²	164	167 Å²	167	86%	0.859	77%	0.774	S	S	*	*			trans	-67.7	142.9	-173	-78.8	83.8	0	0	0	112.1
587	Y	25.1	Very low	27.4	Very low	225 Å²	225	169.9 Å²	169.9	88%	0.882	78%	0.783	S	S	*	*			trans	-98.6	129.3	165.6	-71.7	-94.6	0	0	0	108.9	N589	Y587-N589 PolarHBondContact O-N 3.19Å
588	L	25.9	Very low	27.4	Very low	171 Å²	171	169.9 Å²	169.9	90%	0.895	78%	0.783	S	S	*	*			trans	-75.6	113.2	167.8	-101.7	91	0	0	0	108.6
589	N	25.4	Very low	27.5	Very low	140 Å²	140	171.4 Å²	171.4	75%	0.749	79%	0.79	S	S	*	*			trans	-92.5	109.9	178.3	-163.4	7.1	0	0	0	108.3	Y587 H591	Y587-N589 PolarHBondContact O-N 3.19Å; N589-H591 PolarHBondContact O-N 3.11Å
590	H	27.4	Very low	27.5	Very low	183 Å²	183	170.3 Å²	170.3	85%	0.847	79%	0.79	S	S	*	*			trans	-84.1	101.7	167	-99.9	-50.6	0	0	0	108.5	H592	H590-H592 PolarHBondContact O-N 2.99Å
591	H	26.6	Very low	27.4	Very low	149 Å²	149	171.5 Å²	171.5	69%	0.69	79%	0.791	S	S	*	*			trans	-61.9	112.7	-175.3	-137	-32.4	0	0	0	111.2	N589	N589-H591 PolarHBondContact O-N 3.11Å
592	H	27.2	Very low	27	Very low	184 Å²	184	169 Å²	169	85%	0.852	79%	0.793	S	S	*	*			trans	-68.2	135.3	152.4	-95	-69.3	0	0	0	108.7	H590	H590-H592 PolarHBondContact O-N 2.99Å
593	Q	29	Very low	27.1	Very low	146 Å²	146	169.9 Å²	169.9	68%	0.682	80%	0.797	S	S	*	*			trans	-134.8	119.8	169.7	-95.3	-166.5	-43.3	0	0	110.5
594	H	28.2	Very low	27	Very low	143 Å²	143	166.3 Å²	166.3	66%	0.662	80%	0.797	S	S	*	*			trans	58.2	138.4	147.1	-63.8	-84.1	0	0	0	118.6
595	E	27.6	Very low	27	Very low	140 Å²	140	163.6 Å²	163.6	65%	0.654	79%	0.793	S	S	*	*			cis	-171.1	150	2.3	-122.1	169.2	-167.5	0	0	108
596	H	28.5	Very low	26.8	Very low	155 Å²	155	163.6 Å²	163.6	72%	0.718	80%	0.802	S	S	*	*			trans	51.4	102.9	153.8	-63.7	-59.6	0	0	0	121.1
597	H	30.7	Very low	26.7	Very low	186 Å²	186	162.7 Å²	162.7	86%	0.861	80%	0.797	S	S	*	*				-172.5	134	110.4	-106.2	-68.3	0	0	0	111.7	K599	H597-K599 PolarHBondContact O-N 3.41Å
598	N	28.7	Very low	26.5	Very low	148 Å²	148	161.7 Å²	161.7	79%	0.791	79%	0.792	S	S	*	*			trans	-36.2	117.5	173.3	-84.8	-12	0	0	0	114.5
599	K	29.6	Very low	26.5	Very low	205 Å²	205	161.7 Å²	161.7	89%	0.891	79%	0.79	S	S	*	*			trans	-151.2	85.4	148.5	-120.8	176.7	-177.7	177.8	0	108.6	H597 H601	H597-K599 PolarHBondContact O-N 3.41Å; K599-H601 PolarHBondContact O-N 3.29Å; K599-H601 VanDerWaalsContact O-N 3.09Å
600	D	30.3	Very low	26.4	Very low	147 Å²	147	161.3 Å²	161.3	79%	0.786	79%	0.788	S	S	*	*			trans	-67.2	95.1	163.5	-69.8	-40.3	0	0	0	108.8
601	H	26.2	Very low	26.3	Very low	168 Å²	168	158 Å²	158	78%	0.778	78%	0.783	S	S	*	*			trans	-164	84.7	146.6	-113.1	58.1	0	0	0	108.7	K599	K599-H601 PolarHBondContact O-N 3.29Å; K599-H601 VanDerWaalsContact O-N 3.09Å
602	C	23.7	Very low	26.1	Very low	130 Å²	130	159.5 Å²	159.5	88%	0.878	79%	0.79	S	S	*	*			trans	-83.5	93.5	150.9	-73.5	0	0	0	0	106.5
603	D	26.1	Very low	26.2	Very low	129 Å²	129	158 Å²	158	69%	0.69	79%	0.788	S	S	*	*			trans	-140.9	129.2	154.7	-89.8	-38.2	0	0	0	109.4	E605	D603-E605 VanDerWaalsContact C-N 3.33Å; D603-E605 PolarHBondContact O-N 3.18Å
604	N	24.9	Very low	25.9	Very low	173 Å²	173	158.2 Å²	158.2	93%	0.925	79%	0.793	S	S	*	*			trans	-67.4	85.1	179.5	-65.6	-57	0	0	0	109.7
605	E	24.2	Very low	25.7	Very low	159 Å²	159	157.3 Å²	157.3	74%	0.743	80%	0.8	S	S	*	*			trans	-134.7	108.9	162.8	-74.5	-164.1	161.5	0	0	110.5	D603 L607	D603-E605 VanDerWaalsContact C-N 3.33Å; D603-E605 PolarHBondContact O-N 3.18Å; E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.48Å
606	L	24.2	Very low	25.7	Very low	191 Å²	191	157.3 Å²	157.3	100%	1	81%	0.805	S	S	*	*			trans	-70.5	79.9	178.3	-146.1	127	0	0	0	108.3
607	L	20.8	Very low	25.5	Very low	145 Å²	145	155.7 Å²	155.7	76%	0.759	81%	0.811	S	S	*	*			trans	-89.8	110.2	-179.4	-131.8	125.6	0	0	0	110.8	E605	E605-L607 VanDerWaalsContact C-N 3.26Å; E605-L607 PolarHBondContact O-N 3.48Å
608	R	22	Very low	25	Very low	204 Å²	204	150.9 Å²	150.9	77%	0.77	80%	0.798	S	S	*	*			trans	24.5	122.9	152.2	-82.8	-179.6	172.4	-158.5	-2.3	119.4
609	I	24.7	Very low	24.7	Very low	170 Å²	170	152.6 Å²	152.6	87%	0.872	80%	0.799	S	S	*	*				-134.1	91.8	127.1	-54.4	179.1	0	0	0	107.3
610	L	23.4	Very low	24.2	Very low	133 Å²	133	150.5 Å²	150.5	70%	0.696	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.8	127.7	156.5	-96.5	135	0	0	0	106	E612	L610-E612 PolarHBondContact O-N 3.3Å
611	P	24.9	Very low	23.6	Very low	113 Å²	113	151.2 Å²	151.2	73%	0.734	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.3	124.5	165.5	-9.4	25	0	0	0	108.3	D613	P611-D613 PolarHBondContact O-N 3.49Å
612	E	24.4	Very low	23.3	Very low	181 Å²	181	148.9 Å²	148.9	85%	0.846	79%	0.792	S	S	*	*	S	Bend	trans	-58.6	116.3	163.1	-69.3	179.3	148.8	0	0	108.2	L610	L610-E612 PolarHBondContact O-N 3.3Å
613	D	27.5	Very low	23.3	Very low	153 Å²	153	150.6 Å²	150.6	82%	0.818	79%	0.792	S	S	*	*			trans	174.7	85.3	140.4	-84.4	-23.9	0	0	0	108.5	P611	P611-D613 PolarHBondContact O-N 3.49Å
614	L	23.2	Very low	22.9	Very low	150 Å²	150	151.1 Å²	151.1	79%	0.785	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-80	133.2	165.5	-96.2	84.1	0	0	0	109.9
615	P	25.2	Very low	23	Very low	123 Å²	123	150.6 Å²	150.6	80%	0.799	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-97	127	139.9	25.2	-12.1	0	0	0	109.8	S617	P615-S617 PolarHBondContact O-N 2.95Å
616	N	26.2	Very low	23	Very low	141 Å²	141	149.8 Å²	149.8	75%	0.754	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-66.8	116.6	-174	-69.8	-45.5	0	0	0	114
617	S	24.5	Very low	23.1	Very low	121 Å²	121	148.4 Å²	148.4	85%	0.846	78%	0.776	S	S	*	*			trans	-152	88.1	143.8	52.5	0	0	0	0	109.6	P615	P615-S617 PolarHBondContact O-N 2.95Å
618	S	21.4	Very low	23.4	Very low	84 Å²	84	145.7 Å²	145.7	59%	0.587	77%	0.769	S	S	*	*			trans	-64.8	159.6	163.8	44.3	0	0	0	0	109.6
619	F	21.6	Very low	23.4	Very low	185 Å²	185	140.8 Å²	140.8	81%	0.811	77%	0.766	S	S	*	*			cis	-166.9	159	31.1	5.3	-104.7	0	0	0	109.2
620	L	18.5	Very low	23.4	Very low	160 Å²	160	137.4 Å²	137.4	84%	0.838	76%	0.758	S	S	*	*			trans	-80.2	132.9	177.7	-169.5	133	0	0	0	111	D622	L620-D622 HydrophobicContact CD2-CB 4.37Å
621	L	19.1	Very low	23.3	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	76%	0.759	S	S	*	*			trans	-106.9	105.3	169.3	-102.1	150.8	0	0	0	109
622	D	18.9	Very low	23.3	Very low	119 Å²	119	135.9 Å²	135.9	64%	0.636	76%	0.76	S	S	*	*			trans	-74.8	129.7	169.9	-172.2	7.9	0	0	0	109.6	L620 H624	L620-D622 HydrophobicContact CD2-CB 4.37Å; D622-H624 PolarHBondContact OD1-N 3.49Å
623	L	23.2	Very low	23.1	Very low	166 Å²	166	134.6 Å²	134.6	87%	0.869	76%	0.758	S	S	*	*			trans	-121	66.5	171.7	-81	164.9	0	0	0	108.5
624	H	19.1	Very low	22.8	Very low	140 Å²	140	135.8 Å²	135.8	65%	0.648	76%	0.759	S	S	*	*			trans	-81.4	105.6	152	-120.6	78.4	0	0	0	108.5	D622	D622-H624 PolarHBondContact OD1-N 3.49Å
625	N	25.9	Very low	22.6	Very low	162 Å²	162	131.5 Å²	131.5	87%	0.866	75%	0.751	S	S	*	*			trans	-144	109.2	150.2	-113.6	-17	0	0	0	109.9
626	H	24	Very low	22.4	Very low	142 Å²	142	133.4 Å²	133.4	66%	0.657	75%	0.753	S	S	*	*			trans	-49.2	144.7	168.2	-80	-95.1	0	0	0	111.8
627	L	27.4	Very low	22.3	Very low	163 Å²	163	134 Å²	134	85%	0.853	76%	0.756	S	S	*	*				-172.4	82.9	125.5	-92.6	142.9	0	0	0	109.3
628	S	25.7	Very low	22.1	Very low	87 Å²	87	135.8 Å²	135.8	61%	0.608	75%	0.75	S	S	*	*			trans	9.6	110.4	132.7	39.1	0	0	0	0	116
629	S	23.5	Very low	22.2	Very low	102 Å²	102	139.3 Å²	139.3	71%	0.713	76%	0.757	S	S	*	*				77.5	137.9	84.5	73.1	0	0	0	0	116.1
630	S	23.3	Very low	22.4	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	76%	0.756	S	S	*	*			trans	80.2	100.6	147.8	64.4	0	0	0	0	120.6
631	S	23	Very low	22.6	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	75%	0.75	S	S	*	*				57.5	141.7	114.5	68.2	0	0	0	0	122.6
632	S	23.6	Very low	22.7	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	75%	0.745	S	S	*	*			trans	88.2	110.3	154.5	79.9	0	0	0	0	115.8
633	L	20.5	Very low	22.9	Very low	154 Å²	154	136.4 Å²	136.4	81%	0.806	74%	0.742	S	S	*	*				89.3	123.1	76.5	-149.6	120.1	0	0	0	110.5
634	H	20.5	Very low	22.9	Very low	179 Å²	179	135.3 Å²	135.3	83%	0.829	74%	0.737	S	S	*	*			trans	74.6	115.3	164.5	-90.9	-106.6	0	0	0	119.8
635	G	20.4	Very low	23	Very low	59 Å²	59	134 Å²	134	61%	0.608	74%	0.744	S	S	*	*				113.8	119.7	114.7	0	0	0	0	0	116.3
636	L	21.2	Very low	22.9	Very low	163 Å²	163	135.1 Å²	135.1	85%	0.853	74%	0.744	S	S	*	*			trans	65.3	113.6	143.5	-67.3	150.4	0	0	0	116
637	L	22.6	Very low	22.8	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	75%	0.752	S	S	*	*				174.9	154.2	82.1	-144.6	73.9	0	0	0	110.4
638	H	21.3	Very low	22.4	Very low	158 Å²	158	135.2 Å²	135.2	73%	0.731	75%	0.754	S	S	*	*			trans	-50.5	164	-179.9	-82.7	-99.2	0	0	0	118.6
639	H	22.6	Very low	22.2	Very low	158 Å²	158	138 Å²	138	73%	0.731	76%	0.761	S	S	*	*			trans	91.5	103.5	154.4	-66.1	-57.6	0	0	0	118.2
640	H	25.2	Very low	22.2	Very low	170 Å²	170	138.8 Å²	138.8	79%	0.787	77%	0.767	S	S	*	*				-177.3	144.5	90	-108.6	-72.8	0	0	0	112.8
641	H	24	Very low	22.1	Very low	151 Å²	151	143.2 Å²	143.2	70%	0.699	78%	0.777	S	S	*	*			trans	-15.5	126.6	170.1	-81.6	-84.1	0	0	0	121.4
642	Q	21.9	Very low	22	Very low	160 Å²	160	147.4 Å²	147.4	75%	0.748	79%	0.785	S	S	*	*				46.1	124.5	112.6	-107.6	174.6	-37.4	0	0	121.5
643	S	21.5	Very low	21.9	Very low	84 Å²	84	146.9 Å²	146.9	59%	0.587	79%	0.787	S	S	*	*				98.5	115.6	129.1	-64.3	0	0	0	0	120
644	D	23.8	Very low	21.8	Very low	143 Å²	143	146.6 Å²	146.6	77%	0.765	79%	0.785	S	S	*	*			trans	92.3	98.1	136	-55.2	-16.8	0	0	0	119.7	Q646	D644-Q646 PolarHBondContact O-N 3.48Å
645	S	21.9	Very low	21.9	Very low	113 Å²	113	145.8 Å²	145.8	79%	0.79	79%	0.785	S	S	*	*			trans	-21	118.8	142.7	52.6	0	0	0	0	115.5
646	Q	23.2	Very low	22	Very low	184 Å²	184	149.5 Å²	149.5	86%	0.86	79%	0.791	S	S	*	*			trans	-142.9	131.7	151	-102.2	179.2	0.3	0	0	110.9	D644	D644-Q646 PolarHBondContact O-N 3.48Å
647	Q	21.9	Very low	22.1	Very low	176 Å²	176	150.3 Å²	150.3	82%	0.822	79%	0.787	S	S	*	*			trans	-34.7	123	178.3	-75.3	157.2	-50.2	0	0	116	N649	Q647-N649 PolarHBondContact O-N 2.98Å
648	C	18.9	Very low	22.1	Very low	132 Å²	132	151.4 Å²	151.4	89%	0.892	79%	0.793	S	S	*	*			trans	-80.3	98.6	158.7	-76.1	0	0	0	0	109.9
649	N	22	Very low	22.1	Very low	144 Å²	144	148.4 Å²	148.4	77%	0.77	79%	0.786	S	S	*	*			trans	-81	112.2	159.8	-82.3	-25.6	0	0	0	108.7	Q647 Q651	Q647-N649 PolarHBondContact O-N 2.98Å; N649-Q651 PolarHBondContact O-N 2.85Å
650	S	22.4	Very low	22.2	Very low	120 Å²	120	147.3 Å²	147.3	84%	0.839	79%	0.786	S	S	*	*			trans	-76.6	107.6	173.9	52.1	0	0	0	0	110.5
651	Q	21.6	Very low	22.1	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-83	133.9	166.4	-77	-179.5	-23.2	0	0	110.5	N649	N649-Q651 PolarHBondContact O-N 2.85Å
652	Q	21.1	Very low	22	Very low	193 Å²	193	148.5 Å²	148.5	90%	0.902	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-64.5	134.7	-179.7	-74.9	163.6	-34.7	0	0	112.4
653	A	20.4	Very low	22	Very low	97 Å²	97	149.6 Å²	149.6	80%	0.802	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-91	121	169.4	0	0	0	0	0	110.3
654	I	19.8	Very low	22	Very low	147 Å²	147	153.9 Å²	153.9	75%	0.754	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.6	127.8	174.1	-65	161.4	0	0	0	109.1
655	I	22.3	Very low	22	Very low	163 Å²	163	153.2 Å²	153.2	84%	0.836	80%	0.801	S	S	*	*			trans	-125.6	121.1	166.8	-62.5	-178.4	0	0	0	110
656	N	23.2	Very low	22.3	Very low	137 Å²	137	155.9 Å²	155.9	73%	0.733	81%	0.806	S	S	*	*			trans	-74.2	133.9	-175.9	-72.6	-44.3	0	0	0	113.4
657	K	22.7	Very low	22.4	Very low	179 Å²	179	153.7 Å²	153.7	78%	0.778	80%	0.801	S	S	*	*				22.8	113.9	128.3	-149	178.1	-168.9	180	0	117.8
658	L	23	Very low	22.5	Very low	178 Å²	178	152.6 Å²	152.6	93%	0.932	80%	0.801	S	S	*	*			trans	-140.7	108.9	144.5	-143.9	86.7	0	0	0	111.2
659	T	21.2	Very low	22.7	Very low	95 Å²	95	152.1 Å²	152.1	58%	0.583	80%	0.799	S	S	*	*			trans	-66.6	141	165.2	32.7	0	0	0	0	112.4
660	N	23.7	Very low	22.7	Very low	136 Å²	136	151.6 Å²	151.6	73%	0.727	80%	0.801	S	S	*	*				171.1	126.9	122.8	-88	-18.1	0	0	0	114.4
661	Q	23.8	Very low	22.7	Very low	166 Å²	166	155.4 Å²	155.4	78%	0.776	81%	0.805	S	S	*	*			trans	60.1	112.3	137.2	-63.4	176.1	-24	0	0	118.9
662	Q	21.2	Very low	22.6	Very low	180 Å²	180	153.4 Å²	153.4	84%	0.841	80%	0.8	S	S	*	*				75.7	90.9	50.1	-157.6	163.6	24.1	0	0	113.9
663	Q	23	Very low	22.6	Very low	182 Å²	182	149.5 Å²	149.5	85%	0.85	79%	0.794	S	S	*	*			trans	-169.3	108.9	143.9	-121.4	160.9	-2.7	0	0	114.1
664	F	21.8	Very low	22.6	Very low	175 Å²	175	151 Å²	151	77%	0.768	79%	0.788	S	S	*	*			trans	50.6	125.3	138.7	-74.2	-88.3	0	0	0	124.8
665	L	22.6	Very low	22.7	Very low	129 Å²	129	150.4 Å²	150.4	68%	0.675	80%	0.796	S	S	*	*			trans	70.9	96.9	137.2	-72.1	155.5	0	0	0	119.7
666	D	28.6	Very low	22.6	Very low	168 Å²	168	149.8 Å²	149.8	90%	0.898	79%	0.791	S	S	*	*				-155.7	124.1	117	-96.8	-24.7	0	0	0	109.6	N668	D666-N668 PolarHBondContact O-N 2.84Å
667	D	24.4	Very low	22.6	Very low	139 Å²	139	151.5 Å²	151.5	74%	0.743	79%	0.794	S	S	*	*			trans	-75.6	113.6	-173.5	-76.8	-39.2	0	0	0	112.4
668	N	24.9	Very low	22.7	Very low	153 Å²	153	150 Å²	150	82%	0.818	80%	0.795	S	S	*	*	S	Bend		169	117.6	119.2	-93	-32.8	0	0	0	111.3	D666	D666-N668 PolarHBondContact O-N 2.84Å
669	S	23.3	Very low	22.8	Very low	122 Å²	122	148 Å²	148	85%	0.853	79%	0.785	S	S	*	*			trans	75.2	60.9	171.8	70.9	0	0	0	0	117.9
670	T	22.9	Very low	23.2	Very low	133 Å²	133	152.5 Å²	152.5	82%	0.816	80%	0.797	S	S	*	*			trans	-82.6	101.4	147.3	37.5	0	0	0	0	109.6	L672	T670-L672 PolarHBondContact O-N 3.5Å
671	E	22.2	Very low	23.3	Very low	199 Å²	199	153.1 Å²	153.1	93%	0.93	80%	0.8	S	S	*	*			trans	-89.7	93.8	155.9	-88.7	-170.7	161.6	0	0	108.9
672	L	19.5	Very low	23.5	Very low	150 Å²	150	153 Å²	153	79%	0.785	80%	0.799	S	S	*	*			trans	-75	122.9	152.5	-116.6	113.6	0	0	0	107.3	T670 L674	T670-L672 PolarHBondContact O-N 3.5Å; L672-L674 HydrophobicContact CD2-CD1 4.4Å
673	S	21.6	Very low	23.7	Very low	112 Å²	112	151.3 Å²	151.3	78%	0.783	80%	0.795	S	S	*	*			trans	-127.6	107.7	162.9	70.6	0	0	0	0	110.6
674	L	19.6	Very low	23.8	Very low	129 Å²	129	149.5 Å²	149.5	68%	0.675	79%	0.791	S	S	*	*			trans	-49.4	134.6	163.8	-87.4	67	0	0	0	111.3	L672 M676	L672-L674 HydrophobicContact CD2-CD1 4.4Å; L674-M676 HydrophobicContact CB-CG 4.44Å; L674-M676 HydrophobicContact CD2-CG 3.97Å; L674-M676 HydrophobicContact CD2-SD 4.24Å
675	C	20.9	Very low	23.9	Very low	134 Å²	134	148 Å²	148	91%	0.905	79%	0.786	S	S	*	*			trans	-103.9	100.6	151.7	-90.1	0	0	0	0	107.9
676	M	21.1	Very low	24.1	Very low	149 Å²	149	144.2 Å²	144.2	73%	0.734	77%	0.77	S	S	*	*			trans	-82.1	128.7	165.3	-63	-153.5	-54.1	0	0	108.5	L674	L674-M676 HydrophobicContact CB-CG 4.44Å; L674-M676 HydrophobicContact CD2-CG 3.97Å; L674-M676 HydrophobicContact CD2-SD 4.24Å
677	Q	22.2	Very low	24.1	Very low	173 Å²	173	142 Å²	142	81%	0.808	76%	0.757	S	S	*	*			trans	-78.7	117.8	167.8	-174.6	146.2	6.9	0	0	108
678	D	25	Very low	24.3	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	75%	0.753	S	S	*	*			trans	-141.1	117.1	161.7	-107.9	-24.5	0	0	0	108.8
679	D	26.7	Very low	24.4	Very low	136 Å²	136	145.1 Å²	145.1	73%	0.727	76%	0.756	S	S	*	*	S	Bend	trans	-58.5	139.9	177.6	-69.7	-44.4	0	0	0	110.7
680	K	27.8	Very low	24.6	Very low	190 Å²	190	146.1 Å²	146.1	83%	0.826	75%	0.747	S	S	*	*	S	Bend	trans	91.4	70.8	178.1	-51.9	170.3	-176.2	175.7	0	115
681	N	25.8	Very low	24.7	Very low	148 Å²	148	147.7 Å²	147.7	79%	0.791	75%	0.751	S	S	*	*			trans	177	21.5	133.8	-86.1	-24.5	0	0	0	113.8	L683	N681-L683 VanDerWaalsContact C-N 3.32Å; N681-L683 PolarHBondContact O-N 2.83Å; N681-L683 VanDerWaalsContact O-N 3.16Å
682	E	28	Very low	25	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	7.9	-167.4	-137.9	-179.3	-169.7	0	0	116.8	S686	E682-S686 PolarHBondContact O-OG 3.34Å; E682-S686 VanDerWaalsContact O-OG 3.12Å
683	L	26.1	Very low	25.3	Very low	144 Å²	144	143.3 Å²	143.3	75%	0.754	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-26.7	170.9	-155.2	80	0	0	0	112.1	N681	N681-L683 VanDerWaalsContact C-N 3.32Å; N681-L683 PolarHBondContact O-N 2.83Å; N681-L683 VanDerWaalsContact O-N 3.16Å
684	L	24.3	Very low	25.7	Very low	145 Å²	145	146.6 Å²	146.6	76%	0.759	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-25.6	-177.9	-108.6	96.7	0	0	0	114.4
685	H	25.4	Very low	26	Very low	144 Å²	144	144.4 Å²	144.4	67%	0.667	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-16.4	-179.5	-85.1	-57.8	0	0	0	114.7	I687 D688	H685-I687 PolarHBondContact O-N 3.03Å; H685-D688 PolarHBondContact O-N 3.31Å
686	S	26.8	Very low	26.3	Very low	49 Å²	49	143.6 Å²	143.6	34%	0.343	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-68.8	-21.9	171.3	55.6	0	0	0	0	113.1	E682 D688 Q690	E682-S686 PolarHBondContact O-OG 3.34Å; E682-S686 VanDerWaalsContact O-OG 3.12Å; S686-D688 VanDerWaalsContact C-N 3.34Å; S686-Q690 PolarHBondContact O-N 3.1Å
687	I	27.3	Very low	26.6	Very low	122 Å²	122	141.2 Å²	141.2	63%	0.626	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-76.3	-21.4	176.9	-60.7	176.1	0	0	0	112	H685	H685-I687 PolarHBondContact O-N 3.03Å
688	D	29.3	Very low	26.9	Very low	122 Å²	122	142.2 Å²	142.2	65%	0.652	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-86.8	-12.1	-174.8	-115.7	-3.2	0	0	0	114.3	H685 S686	H685-D688 PolarHBondContact O-N 3.31Å; S686-D688 VanDerWaalsContact C-N 3.34Å
689	R	26.4	Very low	27	Very low	235 Å²	235	138 Å²	138	89%	0.887	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.6	7.7	-178.7	-79.6	-166.8	177.6	170.1	-0.5	117.4	N691	R689-N691 PolarHBondContact O-N 3.07Å; R689-N691 VanDerWaalsContact O-N 3.12Å
690	Q	26.9	Very low	27.2	Very low	143 Å²	143	135.3 Å²	135.3	67%	0.668	69%	0.688	S	S	*	*			trans	-72.6	108.8	159.7	-78.2	-173	-4.3	0	0	108.1	S686 I692	S686-Q690 PolarHBondContact O-N 3.1Å; Q690-I692 PolarHBondContact O-N 3.42Å
691	N	26	Very low	27.4	Very low	165 Å²	165	130 Å²	130	88%	0.882	68%	0.675	S	S	*	*			trans	-51.4	88	157	-84.6	-21.2	0	0	0	107.5	R689 D693	R689-N691 PolarHBondContact O-N 3.07Å; R689-N691 VanDerWaalsContact O-N 3.12Å; N691-D693 VanDerWaalsContact C-N 3.33Å; N691-D693 PolarHBondContact O-N 2.96Å
692	I	28.4	Very low	27.6	Very low	118 Å²	118	125.6 Å²	125.6	61%	0.605	66%	0.659	S	S	*	*			trans	-71.6	99.4	169.8	-66.2	167.2	0	0	0	104.5	Q690 H694	Q690-I692 PolarHBondContact O-N 3.42Å; I692-H694 PolarHBondContact O-N 3.49Å; I692-H694 VanDerWaalsContact O-N 3.14Å
693	D	26.5	Very low	27.8	Very low	139 Å²	139	121.3 Å²	121.3	74%	0.743	64%	0.644	S	S	*	*			trans	-40.6	120.4	162	-99.6	-27	0	0	0	108.2	N691 S695	N691-D693 VanDerWaalsContact C-N 3.33Å; N691-D693 PolarHBondContact O-N 2.96Å; D693-S695 PolarHBondContact O-N 3.01Å
694	H	28.7	Very low	28.1	Very low	181 Å²	181	119 Å²	119	84%	0.838	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	33.6	-165	-73.8	-72.4	0	0	0	115.9	I692	I692-H694 PolarHBondContact O-N 3.49Å; I692-H694 VanDerWaalsContact O-N 3.14Å
695	S	27.2	Very low	28.7	Very low	84 Å²	84	117 Å²	117	59%	0.587	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-10.2	-179.8	57.2	0	0	0	0	116	D693	D693-S695 PolarHBondContact O-N 3.01Å
696	D	26.2	Very low	29	Very low	116 Å²	116	115.3 Å²	115.3	62%	0.62	61%	0.614	S	S	*	*			trans	-123.5	66.6	-177.1	-69.2	-35.2	0	0	0	113.3	F698 A699	D696-F698 PolarHBondContact O-N 2.83Å; D696-A699 PolarHBondContact O-N 2.81Å
697	V	27.7	Very low	29.3	Very low	99 Å²	99	120.8 Å²	120.8	60%	0.6	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-66.2	-10.8	173.5	178.8	0	0	0	0	112.5	A699 T700	V697-A699 VanDerWaalsContact C-N 3.26Å; V697-A699 PolarHBondContact O-N 3.05Å; V697-T700 PolarHBondContact O-N 3.04Å; V697-T700 PolarHBondContact O-OG1 3.19Å
698	F	28.5	Very low	29.6	Very low	194 Å²	194	118.7 Å²	118.7	85%	0.851	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-65.9	-21.5	175.8	-68.9	-75.8	0	0	0	114.6	D696	D696-F698 PolarHBondContact O-N 2.83Å
699	A	27.1	Very low	29.8	Very low	61 Å²	61	118.2 Å²	118.2	50%	0.504	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-82.6	-15.9	176.8	0	0	0	0	0	113.6	D696 V697 S701 V703	D696-A699 PolarHBondContact O-N 2.81Å; V697-A699 VanDerWaalsContact C-N 3.26Å; V697-A699 PolarHBondContact O-N 3.05Å; A699-S701 PolarHBondContact O-N 2.64Å; A699-V703 WeakPolarHBondContact O-CG2 3.31Å; A699-V703 PolarHBondContact O-N 2.92Å
700	T	29.9	Very low	30.1	Very low	78 Å²	78	114.1 Å²	114.1	48%	0.479	60%	0.595	S	S	.	*	H	α-helix	trans	-71.2	-26.9	-173.4	53.1	0	0	0	0	113.8	V697 A702 V703 Q704	V697-T700 PolarHBondContact O-N 3.04Å; V697-T700 PolarHBondContact O-OG1 3.19Å; T700-A702 PolarHBondContact O-N 3.37Å; T700-V703 PolarHBondContact O-N 2.71Å; T700-Q704 WeakPolarHBondContact O-CB 3.26Å; T700-Q704 PolarHBondContact O-N 3.21Å
701	S	32.8	Very low	30.4	Very low	79 Å²	79	113.1 Å²	113.1	55%	0.552	59%	0.589	S	S	*	*	H	α-helix	trans	-65.2	-43.8	-179.7	63.8	0	0	0	0	112.2	A699 L705	A699-S701 PolarHBondContact O-N 2.64Å; S701-L705 VanDerWaalsContact O-CB 3.31Å; S701-L705 WeakPolarHBondContact O-CB 3.28Å; S701-L705 WeakPolarHBondContact O-CD1 3.45Å; S701-L705 WeakPolarHBondContact O-CG 3.45Å; S701-L705 PolarHBondContact O-N 3.28Å
702	A	31.2	Very low	30.7	Very low	56 Å²	56	113.4 Å²	113.4	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-69.8	-40	177.3	0	0	0	0	0	112.3	T700 L705 L706	T700-A702 PolarHBondContact O-N 3.37Å; A702-L705 WeakPolarHBondContact O-CB 3.46Å; A702-L705 PolarHBondContact O-N 3.02Å; A702-L706 WeakPolarHBondContact O-CG 3.11Å; A702-L706 PolarHBondContact O-N 3.36Å
703	V	30.6	Very low	30.6	Very low	74 Å²	74	112.4 Å²	112.4	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-69.7	-38.8	178.6	177.3	0	0	0	0	111.4	A699 T700 L706 R707	A699-V703 WeakPolarHBondContact O-CG2 3.31Å; A699-V703 PolarHBondContact O-N 2.92Å; T700-V703 PolarHBondContact O-N 2.71Å; V703-L706 WeakPolarHBondContact O-CB 3.3Å; V703-L706 PolarHBondContact O-N 2.99Å; V703-R707 PolarHBondContact O-N 3.31Å
704	Q	33.9	Very low	31	Very low	95 Å²	95	112.2 Å²	112.2	44%	0.444	57%	0.565	S	S	.	*	H	α-helix	trans	-69.2	-36.9	175.3	-161.9	70	13	0	0	111.2	T700 R707 N708	T700-Q704 WeakPolarHBondContact O-CB 3.26Å; T700-Q704 PolarHBondContact O-N 3.21Å; Q704-R707 PolarHBondContact O-N 3.13Å; Q704-N708 WeakPolarHBondContact O-CB 3.45Å; Q704-N708 PolarHBondContact O-N 3.44Å
705	L	35.3	Very low	31.1	Very low	102 Å²	102	112.2 Å²	112.2	53%	0.534	56%	0.557	S	S	.	*	H	α-helix	trans	-60.3	-42.1	169.5	-91.5	156.4	0	0	0	111.9	S701 A702 N708 W709	S701-L705 VanDerWaalsContact O-CB 3.31Å; S701-L705 WeakPolarHBondContact O-CB 3.28Å; S701-L705 WeakPolarHBondContact O-CD1 3.45Å; S701-L705 WeakPolarHBondContact O-CG 3.45Å; S701-L705 PolarHBondContact O-N 3.28Å; A702-L705 WeakPolarHBondContact O-CB 3.46Å; A702-L705 PolarHBondContact O-N 3.02Å; L705-N708 PolarHBondContact O-N 3.04Å; L705-W709 PolarHBondContact O-N 2.87Å
706	L	33	Very low	31.2	Very low	109 Å²	109	112.5 Å²	112.5	57%	0.571	56%	0.559	S	S	*	*	H	α-helix	trans	-64.5	-41.4	174.4	-82.1	160.8	0	0	0	112.6	A702 V703 N708 W709 K710	A702-L706 WeakPolarHBondContact O-CG 3.11Å; A702-L706 PolarHBondContact O-N 3.36Å; V703-L706 WeakPolarHBondContact O-CB 3.3Å; V703-L706 PolarHBondContact O-N 2.99Å; L706-N708 VanDerWaalsContact C-N 3.35Å; L706-W709 PolarHBondContact O-N 2.87Å; L706-K710 PolarHBondContact O-N 3.14Å
707	R	31.7	Very low	31.4	Very low	164 Å²	164	112.1 Å²	112.1	62%	0.619	56%	0.561	S	S	*	*	H	α-helix	trans	-59.6	-45.3	173.3	-79.3	-177.4	176.7	-176.1	-2.3	111.2	V703 Q704 W709 K710	V703-R707 PolarHBondContact O-N 3.31Å; Q704-R707 PolarHBondContact O-N 3.13Å; R707-W709 PolarHBondContact O-N 3.27Å; R707-K710 PolarHBondContact O-N 3.47Å
708	N	35.1	Very low	31.3	Very low	79 Å²	79	111.9 Å²	111.9	42%	0.422	56%	0.56	S	S	.	*	H	α-helix	trans	-66.7	-35.4	177.9	-71.7	-16.8	0	0	0	111.9	Q704 L705 L706 K710 F711 Y712	Q704-N708 WeakPolarHBondContact O-CB 3.45Å; Q704-N708 PolarHBondContact O-N 3.44Å; L705-N708 PolarHBondContact O-N 3.04Å; L706-N708 VanDerWaalsContact C-N 3.35Å; N708-K710 PolarHBondContact O-N 3.46Å; N708-F711 WeakPolarHBondContact O-CA 3.4Å; N708-F711 WeakPolarHBondContact O-CB 3.32Å; N708-F711 PolarHBondContact O-N 3.4Å; N708-F711 VanDerWaalsContact O-N 3.14Å; N708-Y712 HydrophobicContact CB-CE2 4.48Å; N708-Y712 WeakPolarHBondContact O-CD2 3.26Å; N708-Y712 PolarHBondContact O-N 2.77Å
709	W	33.5	Very low	31.2	Very low	111 Å²	111	108.6 Å²	108.6	42%	0.42	56%	0.558	S	S	.	*	H	α-helix	trans	-63.6	-39.3	178.5	-180	67	0	0	0	113.4	L705 L706 R707 F711 Y712 K713	L705-W709 PolarHBondContact O-N 2.87Å; L706-W709 PolarHBondContact O-N 2.87Å; R707-W709 PolarHBondContact O-N 3.27Å; W709-F711 PolarHBondContact O-N 3.49Å; W709-Y712 PolarHBondContact O-N 3.35Å; W709-Y712 VanDerWaalsContact O-N 3.08Å; W709-K713 HydrophobicContact CH2-CD 4.15Å; W709-K713 HydrophobicContact CZ2-CD 4Å; W709-K713 PolarHBondContact O-N 2.89Å
710	K	31.5	Very low	31.2	Very low	150 Å²	150	110.7 Å²	110.7	65%	0.652	57%	0.569	S	S	*	*	H	α-helix	trans	-58.7	-36.4	175.2	-158.7	-178.9	-175.9	-178.1	0	111.1	L706 R707 N708 Q714	L706-K710 PolarHBondContact O-N 3.14Å; R707-K710 PolarHBondContact O-N 3.47Å; N708-K710 PolarHBondContact O-N 3.46Å; K710-Q714 PolarHBondContact O-N 2.82Å
711	F	34	Very low	31.1	Very low	122 Å²	122	114.8 Å²	114.8	54%	0.535	59%	0.588	S	S	.	*	H	α-helix	trans	-66.3	-43.2	175	-149	-87.1	0	0	0	112.2	N708 W709 R715	N708-F711 WeakPolarHBondContact O-CA 3.4Å; N708-F711 WeakPolarHBondContact O-CB 3.32Å; N708-F711 PolarHBondContact O-N 3.4Å; N708-F711 VanDerWaalsContact O-N 3.14Å; W709-F711 PolarHBondContact O-N 3.49Å; F711-R715 PolarHBondContact O-N 3.45Å
712	Y	31.1	Very low	30.7	Very low	170 Å²	170	113.2 Å²	113.2	67%	0.667	59%	0.585	S	S	*	*	H	α-helix	trans	-69.9	-37	177.8	-76.6	-70.7	0	0	0	113.4	N708 W709 R715 S716	N708-Y712 HydrophobicContact CB-CE2 4.48Å; N708-Y712 WeakPolarHBondContact O-CD2 3.26Å; N708-Y712 PolarHBondContact O-N 2.77Å; W709-Y712 PolarHBondContact O-N 3.35Å; W709-Y712 VanDerWaalsContact O-N 3.08Å; Y712-R715 PolarHBondContact O-N 2.95Å; Y712-S716 PolarHBondContact O-N 3.3Å
713	K	27.9	Very low	30.5	Very low	97 Å²	97	120.7 Å²	120.7	42%	0.422	60%	0.603	S	S	.	*	H	α-helix	trans	-66.1	-38	176.1	-165.6	176.9	-175.6	175.6	0	112.1	W709 R715	W709-K713 HydrophobicContact CH2-CD 4.15Å; W709-K713 HydrophobicContact CZ2-CD 4Å; W709-K713 PolarHBondContact O-N 2.89Å; K713-R715 VanDerWaalsContact C-N 3.35Å
714	Q	33.3	Very low	30.4	Very low	136 Å²	136	128 Å²	128	64%	0.636	62%	0.624	S	S	*	*	H	α-helix	trans	-68.7	-30.7	175.5	-89.1	-177.6	-21.2	0	0	113.2	K710 T717	K710-Q714 PolarHBondContact O-N 2.82Å; Q714-T717 PolarHBondContact O-OG1 3.4Å; Q714-T717 VanDerWaalsContact O-OG1 3.1Å
715	R	31.7	Very low	29.9	Very low	180 Å²	180	133.5 Å²	133.5	68%	0.679	64%	0.642	S	S	*	*	H	α-helix	trans	-80.8	-27.9	176.6	-95.5	-177.2	172.2	173.3	-1.5	113.9	F711 Y712 K713 T717 T718	F711-R715 PolarHBondContact O-N 3.45Å; Y712-R715 PolarHBondContact O-N 2.95Å; K713-R715 VanDerWaalsContact C-N 3.35Å; R715-T717 PolarHBondContact O-N 2.86Å; R715-T718 PolarHBondContact O-N 3.34Å; R715-T718 PolarHBondContact O-OG1 3.29Å; R715-T718 VanDerWaalsContact O-OG1 3.07Å
716	S	30.1	Very low	29.6	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	65%	0.648	S	S	*	*	H	α-helix	trans	-73.5	-12.5	179.4	99	0	0	0	0	113.8	Y712	Y712-S716 PolarHBondContact O-N 3.3Å
717	T	29.4	Very low	29.1	Very low	108 Å²	108	134.2 Å²	134.2	66%	0.663	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-0.9	178.2	54.6	0	0	0	0	113.7	Q714 R715 P719	Q714-T717 PolarHBondContact O-OG1 3.4Å; Q714-T717 VanDerWaalsContact O-OG1 3.1Å; R715-T717 PolarHBondContact O-N 2.86Å; T717-P719 WeakPolarHBondContact O-CD 3.39Å
718	T	26.1	Very low	28.8	Very low	94 Å²	94	132.9 Å²	132.9	58%	0.577	67%	0.672	S	S	*	*	S	Bend	trans	-92.7	114.4	171.9	11.3	0	0	0	0	109.8	R715 S720	R715-T718 PolarHBondContact O-N 3.34Å; R715-T718 PolarHBondContact O-OG1 3.29Å; R715-T718 VanDerWaalsContact O-OG1 3.07Å; T718-S720 VanDerWaalsContact C-N 3.26Å; T718-S720 PolarHBondContact O-N 3.07Å
719	P	26.1	Very low	28.1	Very low	125 Å²	125	132.8 Å²	132.8	81%	0.812	69%	0.689	S	S	*	*			trans	-75.3	80.1	-176.4	31.1	-32.8	0	0	0	109.7	T717 N721	T717-P719 WeakPolarHBondContact O-CD 3.39Å; P719-N721 PolarHBondContact O-N 3.43Å
720	S	26.4	Very low	27.7	Very low	105 Å²	105	133.2 Å²	133.2	73%	0.734	71%	0.709	S	S	*	*			trans	-82.1	100.5	170.9	164.1	0	0	0	0	108.5	T718 G722	T718-S720 VanDerWaalsContact C-N 3.26Å; T718-S720 PolarHBondContact O-N 3.07Å; S720-G722 PolarHBondContact O-N 2.81Å
721	N	27.9	Very low	27.3	Very low	164 Å²	164	130.6 Å²	130.6	88%	0.877	71%	0.71	S	S	*	*			trans	-58.2	78.8	162.5	-83.2	-16.1	0	0	0	109.6	P719	P719-N721 PolarHBondContact O-N 3.43Å
722	G	25.9	Very low	26.7	Very low	47 Å²	47	132.8 Å²	132.8	49%	0.485	72%	0.72	S	S	.	*			trans	-117.5	105.9	175	0	0	0	0	0	108.4	S720 Y724	S720-G722 PolarHBondContact O-N 2.81Å; G722-Y724 PolarHBondContact O-N 3.45Å
723	Y	27	Very low	26.4	Very low	213 Å²	213	132.8 Å²	132.8	84%	0.835	72%	0.724	S	S	*	*			trans	-48.9	104	174.7	-71.8	-95.6	0	0	0	110.5	Y725	Y723-Y725 PolarHBondContact O-N 2.93Å; Y723-Y725 VanDerWaalsContact O-N 3.17Å
724	Y	27.3	Very low	26.4	Very low	226 Å²	226	136.1 Å²	136.1	89%	0.886	74%	0.74	S	S	*	*			trans	-72.5	102.8	167.6	-115	-97.1	0	0	0	107.4	G722 P726	G722-Y724 PolarHBondContact O-N 3.45Å; Y724-P726 WeakPolarHBondContact O-CD 3.37Å
725	Y	24.3	Very low	25.9	Very low	211 Å²	211	136.9 Å²	136.9	83%	0.827	75%	0.749	S	S	*	*			trans	-74.5	115.6	163.1	-100.9	-93.1	0	0	0	107.9	Y723	Y723-Y725 PolarHBondContact O-N 2.93Å; Y723-Y725 VanDerWaalsContact O-N 3.17Å
726	P	27.9	Very low	25.6	Very low	103 Å²	103	135.4 Å²	135.4	67%	0.669	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-73	148.5	173.1	29.8	-30.7	0	0	0	110.2	Y724	Y724-P726 WeakPolarHBondContact O-CD 3.37Å
727	P	24.1	Very low	25.8	Very low	124 Å²	124	136.2 Å²	136.2	81%	0.805	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-66.8	141.1	-173.2	26.9	-32.6	0	0	0	111.7
728	P	24.2	Very low	25.7	Very low	136 Å²	136	138 Å²	138	88%	0.883	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-82.1	122.2	-176.5	31.1	-30.6	0	0	0	111.1
729	G	20.8	Very low	25.8	Very low	76 Å²	76	143.4 Å²	143.4	78%	0.784	77%	0.774	S	S	*	*			trans	162.6	69.2	171.2	0	0	0	0	0	116.1
730	S	24.7	Very low	25.6	Very low	120 Å²	120	142.9 Å²	142.9	84%	0.839	77%	0.774	S	S	*	*			trans	-176.8	121	139.6	57.7	0	0	0	0	109.7
731	S	22.4	Very low	25.6	Very low	96 Å²	96	144.4 Å²	144.4	67%	0.671	77%	0.772	S	S	*	*			trans	-54.8	167.6	-176.1	44	0	0	0	0	117.9
732	F	23	Very low	25.6	Very low	168 Å²	168	145 Å²	145	74%	0.737	77%	0.767	S	S	*	*			trans	92.9	124.3	166.3	-69.7	-82.7	0	0	0	115.2
733	F	25.2	Very low	25.5	Very low	170 Å²	170	152.2 Å²	152.2	75%	0.746	79%	0.787	S	S	*	*			cis	-152	142.7	26.3	-102.3	-81.4	0	0	0	112.5
734	H	26.2	Very low	25.4	Very low	166 Å²	166	149 Å²	149	77%	0.769	79%	0.785	S	S	*	*			trans	37.6	115.3	139.8	-90.4	2.7	0	0	0	123	N736	H734-N736 PolarHBondContact O-N 2.77Å
735	N	23.8	Very low	25.3	Very low	153 Å²	153	150.1 Å²	150.1	82%	0.818	79%	0.788	S	S	*	*				-7.8	109.2	127.2	-68.5	-16.6	0	0	0	115.3
736	N	25	Very low	25.4	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	79%	0.787	S	S	*	*			trans	-132.5	100.1	143.9	-160.6	-5.3	0	0	0	108.4	H734 N738	H734-N736 PolarHBondContact O-N 2.77Å; N736-N738 PolarHBondContact O-N 2.86Å
737	P	34.5	Very low	25.3	Very low	108 Å²	108	150.8 Å²	150.8	70%	0.701	80%	0.796	S	S	*	*			trans	-82.1	86.6	-179.4	33	-28.5	0	0	0	108
738	N	27.4	Very low	25.3	Very low	145 Å²	145	154 Å²	154	78%	0.775	80%	0.8	S	S	*	*			trans	168.5	78.1	153.8	-89.9	-26.8	0	0	0	109.1	N736	N736-N738 PolarHBondContact O-N 2.86Å
739	Y	27	Very low	25.4	Very low	208 Å²	208	155.3 Å²	155.3	82%	0.816	80%	0.798	S	S	*	*			trans	-164.1	91.1	145.5	-113.2	-75.7	0	0	0	109.4	I741	Y739-I741 VanDerWaalsContact C-N 3.29Å; Y739-I741 HydrophobicContact CD1-CD1 3.61Å; Y739-I741 HydrophobicContact CD1-CG1 3.45Å; Y739-I741 VanDerWaalsContact CD1-CG1 3.45Å; Y739-I741 HydrophobicContact CE1-CD1 4.22Å; Y739-I741 HydrophobicContact CE1-CG1 4.27Å; Y739-I741 HydrophobicContact CG-CD1 4.22Å; Y739-I741 HydrophobicContact CG-CG1 4.21Å; Y739-I741 PolarHBondContact O-N 3.25Å
740	S	22.9	Very low	25.4	Very low	114 Å²	114	155.3 Å²	155.3	80%	0.797	80%	0.798	S	S	*	*			trans	-63.3	90.8	159.1	145.6	0	0	0	0	107.8
741	I	27.2	Very low	25.4	Very low	137 Å²	137	155.2 Å²	155.2	70%	0.703	79%	0.793	S	S	*	*			trans	-103.4	101.4	168.5	-56.9	-176.4	0	0	0	108.3	Y739	Y739-I741 VanDerWaalsContact C-N 3.29Å; Y739-I741 HydrophobicContact CD1-CD1 3.61Å; Y739-I741 HydrophobicContact CD1-CG1 3.45Å; Y739-I741 VanDerWaalsContact CD1-CG1 3.45Å; Y739-I741 HydrophobicContact CE1-CD1 4.22Å; Y739-I741 HydrophobicContact CE1-CG1 4.27Å; Y739-I741 HydrophobicContact CG-CD1 4.22Å; Y739-I741 HydrophobicContact CG-CG1 4.21Å; Y739-I741 PolarHBondContact O-N 3.25Å
742	K	26	Very low	25.6	Very low	176 Å²	176	160.3 Å²	160.3	77%	0.765	80%	0.803	S	S	*	*			trans	-36	134.2	172.3	-70.1	171.5	173.9	175.8	0	112.8	N744	K742-N744 PolarHBondContact O-N 3.44Å
743	H	23.7	Very low	25.7	Very low	198 Å²	198	163.2 Å²	163.2	92%	0.917	81%	0.809	S	S	*	*			trans	-40.8	101.4	163	-69.8	-75.4	0	0	0	111.8
744	N	25.9	Very low	25.8	Very low	147 Å²	147	161 Å²	161	79%	0.786	81%	0.805	S	S	*	*			trans	-110	104.1	163.5	-114	-15.7	0	0	0	108.5	K742 T746	K742-N744 PolarHBondContact O-N 3.44Å; N744-T746 VanDerWaalsContact C-N 3.29Å; N744-T746 PolarHBondContact O-N 2.89Å; N744-T746 PolarHBondContact O-OG1 3.1Å
745	R	25.5	Very low	25.9	Very low	249 Å²	249	158.6 Å²	158.6	94%	0.94	80%	0.804	S	S	*	*			trans	-37.9	87.5	165	-98.5	175.2	169.1	175.5	-1.7	110.6	K747	R745-K747 PolarHBondContact O-N 3.2Å
746	T	25.7	Very low	26.2	Very low	134 Å²	134	154.1 Å²	154.1	82%	0.822	78%	0.784	S	S	*	*			trans	-84.1	102	162.3	18.8	0	0	0	0	106.1	N744 Q748	N744-T746 VanDerWaalsContact C-N 3.29Å; N744-T746 PolarHBondContact O-N 2.89Å; N744-T746 PolarHBondContact O-OG1 3.1Å; T746-Q748 PolarHBondContact O-N 3.03Å
747	K	26.1	Very low	26.3	Very low	194 Å²	194	152.4 Å²	152.4	84%	0.843	78%	0.775	S	S	*	*			trans	-27.3	106.2	168.9	-67.6	170.5	176.2	176.5	0	110.2	R745 L749	R745-K747 PolarHBondContact O-N 3.2Å; K747-L749 VanDerWaalsContact C-N 3.33Å; K747-L749 PolarHBondContact O-N 3.42Å
748	Q	24.4	Very low	26.1	Very low	191 Å²	191	150.8 Å²	150.8	89%	0.893	76%	0.763	S	S	*	*			trans	-56.3	106.6	160.2	-84.7	-177.3	-8.6	0	0	105.9	T746 G750	T746-Q748 PolarHBondContact O-N 3.03Å; Q748-G750 PolarHBondContact O-N 3.26Å
749	L	24.9	Very low	26.1	Very low	163 Å²	163	147.9 Å²	147.9	85%	0.853	75%	0.754	S	S	*	*			trans	-50	115.5	164.7	-92.2	116.9	0	0	0	106.3	K747 V751	K747-L749 VanDerWaalsContact C-N 3.33Å; K747-L749 PolarHBondContact O-N 3.42Å; L749-V751 VanDerWaalsContact C-N 3.26Å; L749-V751 PolarHBondContact O-N 3.01Å
750	G	22.4	Very low	26.1	Very low	76 Å²	76	143.2 Å²	143.2	78%	0.784	74%	0.741	S	S	*	*			trans	-61.2	90.3	177.9	0	0	0	0	0	109.3	Q748 K752	Q748-G750 PolarHBondContact O-N 3.26Å; G750-K752 PolarHBondContact O-N 2.82Å
751	V	24.6	Very low	26.2	Very low	119 Å²	119	142.2 Å²	142.2	72%	0.721	73%	0.727	S	S	*	*			trans	-66	92.8	151.7	-178.5	0	0	0	0	104.1	L749 R753	L749-V751 VanDerWaalsContact C-N 3.26Å; L749-V751 PolarHBondContact O-N 3.01Å; V751-R753 HydrophobicContact CG1-CG 4.46Å; V751-R753 PolarHBondContact O-N 3.44Å
752	K	25.6	Very low	26.1	Very low	203 Å²	203	138.9 Å²	138.9	88%	0.883	71%	0.71	S	S	*	*			trans	-51.8	92.9	160.3	-106.9	-179	172.6	-179.1	0	105.3	G750 N754	G750-K752 PolarHBondContact O-N 2.82Å; K752-N754 VanDerWaalsContact C-N 3.27Å; K752-N754 PolarHBondContact O-N 2.84Å
753	R	24.8	Very low	26	Very low	228 Å²	228	138.1 Å²	138.1	86%	0.86	70%	0.704	S	S	*	*			trans	-65	97.4	170.6	-75.5	-173.8	-179.6	-174	0.4	105.2	V751 P755	V751-R753 HydrophobicContact CG1-CG 4.46Å; V751-R753 PolarHBondContact O-N 3.44Å; R753-P755 VanDerWaalsContact O-CD 3.23Å; R753-P755 WeakPolarHBondContact O-CD 3.23Å
754	N	27	Very low	26.1	Very low	125 Å²	125	134.7 Å²	134.7	67%	0.668	69%	0.689	S	S	*	*			trans	-64.1	113.2	171.4	-156.8	5.9	0	0	0	106.2	K752 S756	K752-N754 VanDerWaalsContact C-N 3.27Å; K752-N754 PolarHBondContact O-N 2.84Å; N754-S756 PolarHBondContact ND2-OG 3.43Å; N754-S756 PolarHBondContact O-N 2.87Å
755	P	30.2	Very low	26.1	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	14	-171.7	29.5	-33.1	0	0	0	113.6	R753	R753-P755 VanDerWaalsContact O-CD 3.23Å; R753-P755 WeakPolarHBondContact O-CD 3.23Å
756	S	29.6	Very low	26.2	Very low	59 Å²	59	131.2 Å²	131.2	41%	0.413	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.5	-17.7	-176.2	51.5	0	0	0	0	115.1	N754	N754-S756 PolarHBondContact ND2-OG 3.43Å; N754-S756 PolarHBondContact O-N 2.87Å
757	N	27.5	Very low	26.1	Very low	112 Å²	112	130.5 Å²	130.5	60%	0.599	67%	0.67	S	S	*	*			trans	-108.7	73.7	-176.5	-73.5	3.5	0	0	0	112.3	S759	N757-S759 PolarHBondContact O-N 2.89Å
758	T	28.9	Very low	26.3	Very low	74 Å²	74	126 Å²	126	45%	0.454	66%	0.661	S	S	.	*			trans	-82.6	98.6	160.7	48.5	0	0	0	0	108.4
759	S	27.7	Very low	26.4	Very low	84 Å²	84	123.9 Å²	123.9	59%	0.587	66%	0.655	S	S	*	*			trans	-89.4	140.4	167.4	49.6	0	0	0	0	109.8	N757	N757-S759 PolarHBondContact O-N 2.89Å
760	M	26.8	Very low	26.5	Very low	110 Å²	110	125.2 Å²	125.2	54%	0.542	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	126.8	175.7	-175.3	176.6	-173.9	0	0	108.6	L762	M760-L762 HydrophobicContact CE-CD1 4.32Å; M760-L762 HydrophobicContact CE-CD2 4.37Å; M760-L762 HydrophobicContact CE-CG 4.19Å; M760-L762 HydrophobicContact CG-CD1 4.1Å; M760-L762 HydrophobicContact CG-CG 4.37Å; M760-L762 HydrophobicContact SD-CD1 3.95Å; M760-L762 HydrophobicContact SD-CG 4.41Å
761	L	26.3	Very low	26.7	Very low	93 Å²	93	125.8 Å²	125.8	49%	0.487	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.8	108.9	175.3	-167.2	80.1	0	0	0	107.9	Y763	L761-Y763 HydrophobicContact CD2-CD2 4.44Å; L761-Y763 HydrophobicContact CD2-CE2 3.48Å; L761-Y763 VanDerWaalsContact CD2-CE2 3.48Å; L761-Y763 WeakPolarHBondContact CD2-OH 3.19Å; L761-Y763 HydrophobicContact CG-CE2 4.11Å
762	L	24.4	Very low	26.8	Very low	68 Å²	68	129.1 Å²	129.1	36%	0.356	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.7	121.2	176.4	-85.7	129.4	0	0	0	109.9	M760 L817	M760-L762 HydrophobicContact CE-CD1 4.32Å; M760-L762 HydrophobicContact CE-CD2 4.37Å; M760-L762 HydrophobicContact CE-CG 4.19Å; M760-L762 HydrophobicContact CG-CD1 4.1Å; M760-L762 HydrophobicContact CG-CG 4.37Å; M760-L762 HydrophobicContact SD-CD1 3.95Å; M760-L762 HydrophobicContact SD-CG 4.41Å; L762-L817 HydrophobicContact CD1-CD1 4.1Å
763	Y	24.1	Very low	26.6	Very low	160 Å²	160	123.1 Å²	123.1	63%	0.627	65%	0.647	S	S	*	*			trans	-92.6	123	166.8	-69.8	-85.7	0	0	0	107.9	L761	L761-Y763 HydrophobicContact CD2-CD2 4.44Å; L761-Y763 HydrophobicContact CD2-CE2 3.48Å; L761-Y763 VanDerWaalsContact CD2-CE2 3.48Å; L761-Y763 WeakPolarHBondContact CD2-OH 3.19Å; L761-Y763 HydrophobicContact CG-CE2 4.11Å
764	M	25.9	Very low	26.7	Very low	126 Å²	126	122.9 Å²	122.9	62%	0.621	65%	0.647	S	S	*	*			trans	-122.3	108.2	173.1	-66.9	-167.5	75.2	0	0	108.8	H767	M764-H767 HydrophobicContact CE-CB 4.07Å
765	D	25.9	Very low	26.6	Very low	140 Å²	140	123 Å²	123	75%	0.749	65%	0.653	S	S	*	*			trans	-75.8	123.5	167.9	-74.1	-26.8	0	0	0	109.1	H767	D765-H767 PolarHBondContact O-N 3.43Å; D765-H767 VanDerWaalsContact O-N 3.13Å
766	H	27.1	Very low	26.3	Very low	183 Å²	183	124.4 Å²	124.4	85%	0.847	66%	0.659	S	S	*	*			trans	50.6	40.4	157.9	-57.9	-59.6	0	0	0	119	P768	H766-P768 WeakPolarHBondContact O-CD 3.31Å
767	H	25	Very low	26	Very low	119 Å²	119	126.6 Å²	126.6	55%	0.551	68%	0.675	S	S	*	*			trans	-81.6	121.6	169.6	-113.8	-76.5	0	0	0	111.9	M764 D765 L769	M764-H767 HydrophobicContact CE-CB 4.07Å; D765-H767 PolarHBondContact O-N 3.43Å; D765-H767 VanDerWaalsContact O-N 3.13Å; H767-L769 PolarHBondContact O-N 2.88Å
768	P	29	Very low	25.8	Very low	98 Å²	98	126.7 Å²	126.7	64%	0.636	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-74.7	10.2	-172.3	28.2	-33.2	0	0	0	115.3	H766 F770 S771	H766-P768 WeakPolarHBondContact O-CD 3.31Å; P768-F770 PolarHBondContact O-N 2.91Å; P768-S771 PolarHBondContact O-N 2.77Å; P768-S771 PolarHBondContact O-OG 3.32Å
769	L	26.7	Very low	25.6	Very low	148 Å²	148	128 Å²	128	78%	0.775	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-70.1	-9.4	177.3	-88.9	161.5	0	0	0	114.1	H767	H767-L769 PolarHBondContact O-N 2.88Å
770	F	27.4	Very low	25.5	Very low	190 Å²	190	132 Å²	132	83%	0.833	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-112.3	10.3	177.7	-65.8	-74	0	0	0	114.5	P768 K772	P768-F770 PolarHBondContact O-N 2.91Å; F770-K772 PolarHBondContact O-N 3.35Å
771	S	26	Very low	25.5	Very low	89 Å²	89	133.2 Å²	133.2	62%	0.622	73%	0.725	S	S	*	*	S	Bend	trans	-76.6	105.3	165.8	65.1	0	0	0	0	109.1	P768 G773	P768-S771 PolarHBondContact O-N 2.77Å; P768-S771 PolarHBondContact O-OG 3.32Å; S771-G773 PolarHBondContact O-N 3.45Å
772	K	26.5	Very low	25.3	Very low	188 Å²	188	133.4 Å²	133.4	82%	0.817	74%	0.739	S	S	*	*			trans	-33.2	125.7	171.2	-90.4	174.8	171	174.6	0	111.7	F770 Y774	F770-K772 PolarHBondContact O-N 3.35Å; K772-Y774 PolarHBondContact O-N 2.9Å
773	G	22.8	Very low	25.1	Very low	77 Å²	77	134.3 Å²	134.3	79%	0.794	77%	0.765	S	S	*	*			trans	-52.5	118.1	-180	0	0	0	0	0	112.5	S771 T775	S771-G773 PolarHBondContact O-N 3.45Å; G773-T775 PolarHBondContact O-N 3.33Å
774	Y	25.6	Very low	25.1	Very low	223 Å²	223	130.4 Å²	130.4	88%	0.875	77%	0.774	S	S	*	*			trans	-84	107.2	161.2	-74.1	-81.9	0	0	0	107.2	K772 T776	K772-Y774 PolarHBondContact O-N 2.9Å; Y774-T776 PolarHBondContact O-N 2.78Å; Y774-T776 VanDerWaalsContact O-N 3.16Å
775	T	24.3	Very low	25	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	79%	0.785	S	S	*	*			trans	-63.4	112.7	170.8	42.8	0	0	0	0	108.8	G773 S777	G773-T775 PolarHBondContact O-N 3.33Å; T775-S777 VanDerWaalsContact C-N 3.3Å; T775-S777 PolarHBondContact O-N 3.26Å
776	T	24.2	Very low	25.4	Very low	142 Å²	142	130.7 Å²	130.7	87%	0.871	78%	0.784	S	S	*	*			trans	-62.3	91.2	167	46.8	0	0	0	0	108.4	Y774 S778	Y774-T776 PolarHBondContact O-N 2.78Å; Y774-T776 VanDerWaalsContact O-N 3.16Å; T776-S778 PolarHBondContact O-N 2.97Å
777	S	24.6	Very low	25.3	Very low	105 Å²	105	128 Å²	128	73%	0.734	78%	0.781	S	S	*	*			trans	-80.5	103.1	168.6	36.3	0	0	0	0	107.9	T775 S779	T775-S777 VanDerWaalsContact C-N 3.3Å; T775-S777 PolarHBondContact O-N 3.26Å; S777-S779 PolarHBondContact O-N 3.45Å
778	S	22.8	Very low	25.2	Very low	115 Å²	115	128.9 Å²	128.9	80%	0.804	80%	0.795	S	S	*	*			trans	-56.4	119.7	164.5	53.8	0	0	0	0	110	T776	T776-S778 PolarHBondContact O-N 2.97Å
779	S	25.4	Very low	25.1	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	80%	0.801	S	S	*	*			trans	-128.6	101.4	159.4	57	0	0	0	0	109.8	S777 V781	S777-S779 PolarHBondContact O-N 3.45Å; S779-V781 PolarHBondContact O-N 3.45Å
780	N	24.3	Very low	25	Very low	168 Å²	168	130.2 Å²	130.2	90%	0.898	81%	0.806	S	S	*	*			trans	-58.2	117.8	157	-72.7	-31.1	0	0	0	107.9
781	V	27	Very low	24.9	Very low	135 Å²	135	129.9 Å²	129.9	82%	0.818	80%	0.804	S	S	*	*			trans	-127.6	110.5	159.4	-177.5	0	0	0	0	108	S779	S779-V781 PolarHBondContact O-N 3.45Å
782	A	22.1	Very low	24.9	Very low	96 Å²	96	132.9 Å²	132.9	79%	0.793	81%	0.814	S	S	*	*			trans	-75	148.8	179.2	0	0	0	0	0	112.2
783	G	20.5	Very low	24.9	Very low	87 Å²	87	130 Å²	130	90%	0.897	81%	0.807	S	S	*	*			trans	45.4	100.4	140.2	0	0	0	0	0	119.1
784	G	23.9	Very low	25	Very low	79 Å²	79	135.1 Å²	135.1	81%	0.814	81%	0.807	S	S	*	*			trans	-150	122.4	162.9	0	0	0	0	0	110.6
785	N	23.3	Very low	24.9	Very low	157 Å²	157	130.6 Å²	130.6	84%	0.84	81%	0.807	S	S	*	*			trans	-59.4	144	-166.7	-138.9	2.2	0	0	0	114.7
786	P	34.2	Very low	24.8	Very low	115 Å²	115	132.8 Å²	132.8	75%	0.747	81%	0.809	S	S	*	*			trans	-89.3	114.6	-173.4	33.6	-25.8	0	0	0	110.8
787	T	25.4	Very low	24.9	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	81%	0.806	S	S	*	*			trans	-116.3	99.8	163.1	35.5	0	0	0	0	108.4	S789	T787-S789 PolarHBondContact O-N 3.45Å
788	T	24.1	Very low	24.8	Very low	139 Å²	139	134 Å²	134	85%	0.853	80%	0.804	S	S	*	*			trans	28.2	94.5	143.7	53.6	0	0	0	0	116.9
789	S	25.9	Very low	24.7	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	81%	0.807	S	S	*	*			trans	-151.1	115.2	139.5	55.8	0	0	0	0	110	T787 F791	T787-S789 PolarHBondContact O-N 3.45Å; S789-F791 PolarHBondContact O-N 3.01Å
790	N	25.6	Very low	24.7	Very low	164 Å²	164	141.5 Å²	141.5	88%	0.877	81%	0.808	S	S	*	*			trans	26.1	89.7	161	-75.3	-16	0	0	0	117.8	N792	N790-N792 PolarHBondContact O-N 3.47Å
791	F	24.7	Very low	24.6	Very low	182 Å²	182	138.1 Å²	138.1	80%	0.798	80%	0.797	S	S	*	*			trans	-63.1	85.8	156.3	-89.3	-80	0	0	0	110.1	S789 D793	S789-F791 PolarHBondContact O-N 3.01Å; F791-D793 VanDerWaalsContact C-N 3.3Å; F791-D793 VanDerWaalsContact CD1-CG 3.41Å; F791-D793 VanDerWaalsContact CD1-OD1 3.32Å; F791-D793 WeakPolarHBondContact CD1-OD1 3.29Å; F791-D793 WeakPolarHBondContact CD1-OD2 3.46Å
792	N	25.5	Very low	24.5	Very low	153 Å²	153	134.8 Å²	134.8	82%	0.818	78%	0.78	S	S	*	*			trans	-89.6	77.2	149.8	-111.9	-7.5	0	0	0	106	N790 K794	N790-N792 PolarHBondContact O-N 3.47Å; N792-K794 PolarHBondContact O-N 2.93Å
793	D	26.5	Very low	24.7	Very low	126 Å²	126	135.2 Å²	135.2	67%	0.674	78%	0.777	S	S	*	*			trans	-70.4	72.8	169.7	-83.5	-22.2	0	0	0	109.2	F791 C795	F791-D793 VanDerWaalsContact C-N 3.3Å; F791-D793 VanDerWaalsContact CD1-CG 3.41Å; F791-D793 VanDerWaalsContact CD1-OD1 3.32Å; F791-D793 WeakPolarHBondContact CD1-OD1 3.29Å; F791-D793 WeakPolarHBondContact CD1-OD2 3.46Å; D793-C795 PolarHBondContact O-N 3.44Å
794	K	25.6	Very low	25	Very low	185 Å²	185	139 Å²	139	80%	0.804	77%	0.771	S	S	*	*			trans	-68.6	112.5	140.3	-86.9	-178.6	175	178.5	0	104.7	N792 Q796	N792-K794 PolarHBondContact O-N 2.93Å; K794-Q796 PolarHBondContact O-N 2.75Å
795	C	22.4	Very low	25	Very low	129 Å²	129	141.3 Å²	141.3	87%	0.872	76%	0.764	S	S	*	*			trans	-51	85.7	156.5	-72.2	0	0	0	0	108.2	D793 E797	D793-C795 PolarHBondContact O-N 3.44Å; C795-E797 PolarHBondContact O-N 3.24Å
796	Q	22.9	Very low	25	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	76%	0.762	S	S	*	*			trans	-69.9	81.3	157.3	-95.6	-178.7	-22.9	0	0	105.2	K794 S798	K794-Q796 PolarHBondContact O-N 2.75Å; Q796-S798 PolarHBondContact O-N 3.4Å; Q796-S798 VanDerWaalsContact O-N 3.11Å
797	E	25.4	Very low	24.6	Very low	175 Å²	175	143 Å²	143	82%	0.818	76%	0.763	S	S	*	*			trans	-43.7	117.6	140.9	-158.6	169.3	-141.8	0	0	105.9	C795 R799	C795-E797 PolarHBondContact O-N 3.24Å; E797-R799 VanDerWaalsContact C-N 3.28Å; E797-R799 PolarHBondContact O-N 2.92Å
798	S	22.7	Very low	24.4	Very low	98 Å²	98	144.8 Å²	144.8	69%	0.685	76%	0.764	S	S	*	*			trans	-52.3	86.7	-167.5	51.4	0	0	0	0	111.3	Q796 I800	Q796-S798 PolarHBondContact O-N 3.4Å; Q796-S798 VanDerWaalsContact O-N 3.11Å; S798-I800 PolarHBondContact O-N 3.38Å
799	R	22.2	Very low	24.4	Very low	233 Å²	233	142.8 Å²	142.8	88%	0.879	75%	0.754	S	S	*	*			trans	-70.3	78.4	156.6	-73.9	-173.1	-174.5	-179.6	1.5	105.7	E797 S801	E797-R799 VanDerWaalsContact C-N 3.28Å; E797-R799 PolarHBondContact O-N 2.92Å; R799-S801 PolarHBondContact O-N 3.16Å
800	I	23.9	Very low	24.4	Very low	140 Å²	140	146.6 Å²	146.6	72%	0.718	76%	0.759	S	S	*	*			trans	-49.4	107.5	147.1	-63.6	173.7	0	0	0	103.4	S798 S802	S798-I800 PolarHBondContact O-N 3.38Å; I800-S802 PolarHBondContact O-N 3.19Å
801	S	22.5	Very low	24.4	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	75%	0.746	S	S	*	*			trans	-61.7	77.7	174.7	173	0	0	0	0	107.8	R799 S803	R799-S801 PolarHBondContact O-N 3.16Å; S801-S803 PolarHBondContact O-N 2.91Å; S801-S803 VanDerWaalsContact O-N 3.07Å
802	S	24.6	Very low	24.3	Very low	64 Å²	64	144.7 Å²	144.7	45%	0.448	75%	0.745	S	S	.	*			trans	-83.5	61.9	167.3	68.1	0	0	0	0	107.8	I800 H804 L805	I800-S802 PolarHBondContact O-N 3.19Å; S802-H804 PolarHBondContact O-N 3.24Å; S802-L805 PolarHBondContact O-N 3.43Å; S802-L805 WeakPolarHBondContact OG-CD1 3.3Å
803	S	27.4	Very low	24.4	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	23.4	162.6	55.4	0	0	0	0	112.2	S801	S801-S803 PolarHBondContact O-N 2.91Å; S801-S803 VanDerWaalsContact O-N 3.07Å
804	H	26.3	Very low	24.4	Very low	166 Å²	166	141.7 Å²	141.7	77%	0.769	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.5	9.8	174.5	-105.5	-51.3	0	0	0	115	S802 K806	S802-H804 PolarHBondContact O-N 3.24Å; H804-K806 PolarHBondContact O-N 3.35Å
805	L	23.4	Very low	24.8	Very low	129 Å²	129	137 Å²	137	68%	0.675	71%	0.71	S	S	*	*			trans	-75.4	72.4	161.4	-83.2	164.5	0	0	0	109	S802 T807	S802-L805 PolarHBondContact O-N 3.43Å; S802-L805 WeakPolarHBondContact OG-CD1 3.3Å; L805-T807 PolarHBondContact O-N 3.13Å
806	K	24.2	Very low	25.2	Very low	181 Å²	181	134.1 Å²	134.1	79%	0.787	69%	0.686	S	S	*	*			trans	-56.2	109.1	150.7	-93.9	-177.7	174.3	179.6	0	105.3	H804 M808	H804-K806 PolarHBondContact O-N 3.35Å; K806-M808 PolarHBondContact O-N 2.76Å; K806-M808 VanDerWaalsContact O-N 3.08Å
807	T	24.5	Very low	25.6	Very low	126 Å²	126	127.9 Å²	127.9	77%	0.773	66%	0.658	S	S	*	*			trans	5.9	95.1	157.8	51.1	0	0	0	0	112.2	L805 P809	L805-T807 PolarHBondContact O-N 3.13Å; T807-P809 VanDerWaalsContact O-CD 3.28Å; T807-P809 WeakPolarHBondContact O-CD 3.48Å; T807-P809 VanDerWaalsContact O-N 3.11Å
808	M	21.6	Very low	26.1	Very low	162 Å²	162	120.5 Å²	120.5	80%	0.798	63%	0.625	S	S	*	*			trans	-57.5	119.5	164.3	-78	-141.4	101.6	0	0	105.8	K806 E810	K806-M808 PolarHBondContact O-N 2.76Å; K806-M808 VanDerWaalsContact O-N 3.08Å; M808-E810 PolarHBondContact O-N 3.17Å
809	P	25.1	Very low	26.7	Very low	97 Å²	97	117.9 Å²	117.9	63%	0.63	61%	0.605	S	S	*	*			trans	-59.3	139.9	169.1	-9.8	24.4	0	0	0	106.3	T807 V811	T807-P809 VanDerWaalsContact O-CD 3.28Å; T807-P809 WeakPolarHBondContact O-CD 3.48Å; T807-P809 VanDerWaalsContact O-N 3.11Å; P809-V811 HydrophobicContact CB-CG2 4.32Å; P809-V811 WeakPolarHBondContact O-CG2 3.32Å; P809-V811 PolarHBondContact O-N 3.28Å
810	E	26.3	Very low	27.6	Very low	190 Å²	190	108.7 Å²	108.7	89%	0.888	57%	0.574	S	S	*	*			trans	-57.7	80.2	169.5	-69.9	177.3	140.2	0	0	109.8	M808 R812	M808-E810 PolarHBondContact O-N 3.17Å; E810-R812 PolarHBondContact O-N 2.88Å; E810-R812 VanDerWaalsContact O-N 3.07Å
811	V	24.4	Very low	28.4	Very low	97 Å²	97	109.5 Å²	109.5	59%	0.588	58%	0.579	S	S	*	*			trans	-82.3	91	175.1	-175.4	0	0	0	0	106.2	P809 Q813	P809-V811 HydrophobicContact CB-CG2 4.32Å; P809-V811 WeakPolarHBondContact O-CG2 3.32Å; P809-V811 PolarHBondContact O-N 3.28Å; V811-Q813 HydrophobicContact CG1-CG 4.07Å; V811-Q813 PolarHBondContact O-N 2.79Å
812	R	23.3	Very low	29.1	Very low	209 Å²	209	110.6 Å²	110.6	79%	0.789	58%	0.577	S	S	*	*			trans	-58.3	103.8	163.8	-70.8	-176.1	178.7	-164	-1.9	107.9	E810 S814	E810-R812 PolarHBondContact O-N 2.88Å; E810-R812 VanDerWaalsContact O-N 3.07Å; R812-S814 PolarHBondContact O-N 3.47Å
813	Q	27.1	Very low	29.6	Very low	172 Å²	172	114 Å²	114	80%	0.804	59%	0.591	S	S	*	*			trans	-84.2	94.9	176.2	-66.9	-175.8	3.8	0	0	108.7	V811	V811-Q813 HydrophobicContact CG1-CG 4.07Å; V811-Q813 PolarHBondContact O-N 2.79Å
814	S	27.8	Very low	30	Very low	44 Å²	44	114.3 Å²	114.3	31%	0.308	58%	0.581	S	S	.	*			trans	-79.5	123.5	169.4	59.2	0	0	0	0	109.6	R812	R812-S814 PolarHBondContact O-N 3.47Å
815	L	32.3	Very low	30.3	Very low	86 Å²	86	112.2 Å²	112.2	45%	0.45	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.9	118.4	174	-156.2	133.7	0	0	0	108.6	L817 I827	L815-L817 HydrophobicContact CD2-CD1 4.46Å; L815-L817 HydrophobicContact CD2-CD2 3.38Å; L815-L817 HydrophobicContact CD2-CG 3.68Å; L815-I827 HydrophobicContact CD2-CG2 4.09Å; L815-I827 HydrophobicContact CG-CG2 4.27Å
816	I	30.8	Very low	30.9	Very low	70 Å²	70	109 Å²	109	36%	0.359	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	106.4	177.1	-58.8	176.3	0	0	0	107.8	L828	I816-L828 HydrophobicContact CG2-CD1 4.31Å; I816-L828 PolarHBondContact O-N 3.35Å
817	L	33.1	Very low	31.2	Very low	43 Å²	43	105.7 Å²	105.7	23%	0.225	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.1	170.7	-64.1	170.7	0	0	0	108.6	L762 L815 L825 I827	L762-L817 HydrophobicContact CD1-CD1 4.1Å; L815-L817 HydrophobicContact CD2-CD1 4.46Å; L815-L817 HydrophobicContact CD2-CD2 3.38Å; L815-L817 HydrophobicContact CD2-CG 3.68Å; L817-L825 HydrophobicContact CB-CD1 4.38Å; L817-L825 HydrophobicContact CD2-CD1 4.5Å; L817-L825 HydrophobicContact CD2-CD2 4.28Å; L817-L825 HydrophobicContact CD2-CG 4.45Å; L817-I827 HydrophobicContact CD2-CG1 3.99Å
818	S	35.1	Very low	31.6	Very low	20 Å²	20	103.6 Å²	103.6	14%	0.14	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	162.1	171.8	-170.5	0	0	0	0	109.6	I826	S818-I826 PolarHBondContact N-O 3.41Å; S818-I826 WeakPolarHBondContact O-CG1 3.38Å; S818-I826 PolarHBondContact O-N 2.84Å
819	V	35.2	Very low	32	Very low	43 Å²	43	101.4 Å²	101.4	26%	0.261	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.2	172.6	-174.4	0	0	0	0	107.1	N823 E824	V819-N823 VanDerWaalsContact CG1-C 3.47Å; V819-N823 VanDerWaalsContact CG1-CA 3.41Å; V819-N823 HydrophobicContact CG1-CB 4.4Å; V819-E824 WeakPolarHBondContact CA-O 3.46Å
820	N	40.7	Very low	32.2	Very low	41 Å²	41	100 Å²	100	22%	0.219	52%	0.521	C	S	.	.			trans	-79.4	176.9	175.5	73.1	5.4	0	0	0	111	N822 N823 E824 I826	N820-N822 PolarHBondContact O-N 2.92Å; N820-N822 WeakPolarHBondContact OD1-CA 3.37Å; N820-N822 WeakPolarHBondContact OD1-CB 3.4Å; N820-N822 PolarHBondContact OD1-N 2.97Å; N820-N823 PolarHBondContact O-N 3.05Å; N820-N823 PolarHBondContact OD1-N 3.07Å; N820-E824 PolarHBondContact N-O 2.94Å; N820-E824 PolarHBondContact ND2-OE2 3.1Å; N820-E824 WeakPolarHBondContact OD1-CB 3.4Å; N820-E824 PolarHBondContact OD1-N 3.21Å; N820-E824 PolarHBondContact OD1-O 2.95Å; N820-I826 HydrophobicContact CB-CD1 4.1Å; N820-I826 HydrophobicContact CB-CG1 4.39Å; N820-I826 HydrophobicContact CB-CG2 4.14Å
821	D	40.9	Very low	32.2	Very low	156 Å²	156	96 Å²	96	83%	0.834	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.5	179.7	-61.7	-31.7	0	0	0	113.7
822	N	37.5	Very low	32.4	Very low	121 Å²	121	96.2 Å²	96.2	65%	0.647	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	9.1	176.9	-62.2	-19	0	0	0	113.3	N820 E824	N820-N822 PolarHBondContact O-N 2.92Å; N820-N822 WeakPolarHBondContact OD1-CA 3.37Å; N820-N822 WeakPolarHBondContact OD1-CB 3.4Å; N820-N822 PolarHBondContact OD1-N 2.97Å; N822-E824 HydrophobicContact CB-CG 4.03Å; N822-E824 PolarHBondContact O-N 2.8Å
823	N	35.9	Very low	32.5	Very low	137 Å²	137	92.6 Å²	92.6	73%	0.733	52%	0.517	S	S	*	.	S	Bend	trans	61.4	20.8	-170.5	-73.6	-19.2	0	0	0	114.6	V819 N820	V819-N823 VanDerWaalsContact CG1-C 3.47Å; V819-N823 VanDerWaalsContact CG1-CA 3.41Å; V819-N823 HydrophobicContact CG1-CB 4.4Å; N820-N823 PolarHBondContact O-N 3.05Å; N820-N823 PolarHBondContact OD1-N 3.07Å
824	E	34.3	Very low	32.4	Very low	111 Å²	111	89.4 Å²	89.4	52%	0.519	51%	0.509	S	S	.	.			trans	-91	137.7	175.5	-56.5	168.2	146.8	0	0	109.9	V819 N820 N822 I826	V819-E824 WeakPolarHBondContact CA-O 3.46Å; N820-E824 PolarHBondContact N-O 2.94Å; N820-E824 PolarHBondContact ND2-OE2 3.1Å; N820-E824 WeakPolarHBondContact OD1-CB 3.4Å; N820-E824 PolarHBondContact OD1-N 3.21Å; N820-E824 PolarHBondContact OD1-O 2.95Å; N822-E824 HydrophobicContact CB-CG 4.03Å; N822-E824 PolarHBondContact O-N 2.8Å; E824-I826 PolarHBondContact O-N 3.44Å
825	L	33.8	Very low	32.2	Very low	122 Å²	122	93.9 Å²	93.9	64%	0.639	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	120.8	176.6	-168.5	80.4	0	0	0	109.4	L817	L817-L825 HydrophobicContact CB-CD1 4.38Å; L817-L825 HydrophobicContact CD2-CD1 4.5Å; L817-L825 HydrophobicContact CD2-CD2 4.28Å; L817-L825 HydrophobicContact CD2-CG 4.45Å
826	I	34.3	Very low	31.8	Very low	62 Å²	62	95 Å²	95	32%	0.318	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133	173.7	56.6	165.3	0	0	0	110.2	S818 N820 E824 L828	S818-I826 PolarHBondContact N-O 3.41Å; S818-I826 WeakPolarHBondContact O-CG1 3.38Å; S818-I826 PolarHBondContact O-N 2.84Å; N820-I826 HydrophobicContact CB-CD1 4.1Å; N820-I826 HydrophobicContact CB-CG1 4.39Å; N820-I826 HydrophobicContact CB-CG2 4.14Å; E824-I826 PolarHBondContact O-N 3.44Å; I826-L828 HydrophobicContact CD1-CD2 4.24Å
827	I	31.8	Very low	31.6	Very low	111 Å²	111	98.4 Å²	98.4	57%	0.569	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.7	114.5	174.2	-58.9	171.8	0	0	0	107	L815 L817	L815-I827 HydrophobicContact CD2-CG2 4.09Å; L815-I827 HydrophobicContact CG-CG2 4.27Å; L817-I827 HydrophobicContact CD2-CG1 3.99Å
828	L	31.9	Very low	31.1	Very low	81 Å²	81	101.9 Å²	101.9	42%	0.424	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.2	122.3	176	-66.8	173.7	0	0	0	109	I816 I826 S830	I816-L828 HydrophobicContact CG2-CD1 4.31Å; I816-L828 PolarHBondContact O-N 3.35Å; I826-L828 HydrophobicContact CD1-CD2 4.24Å; L828-S830 PolarHBondContact O-N 3.43Å; L828-S830 VanDerWaalsContact O-N 3.17Å
829	P	30	Very low	30.5	Very low	117 Å²	117	107.4 Å²	107.4	76%	0.76	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-62.6	121.1	178.4	23	-30.2	0	0	0	109.7	S831	P829-S831 PolarHBondContact O-N 3.05Å
830	S	29.2	Very low	30	Very low	66 Å²	66	109.7 Å²	109.7	46%	0.462	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-54.8	116.8	172.2	166.8	0	0	0	0	108.9	L828 T832	L828-S830 PolarHBondContact O-N 3.43Å; L828-S830 VanDerWaalsContact O-N 3.17Å; S830-T832 VanDerWaalsContact C-N 3.33Å; S830-T832 PolarHBondContact O-N 2.91Å
831	S	27.1	Very low	29	Very low	106 Å²	106	116.9 Å²	116.9	74%	0.741	68%	0.684	S	S	*	*			trans	-65.8	96.6	173.3	55.3	0	0	0	0	108.1	P829 T833	P829-S831 PolarHBondContact O-N 3.05Å; S831-T833 PolarHBondContact O-N 2.78Å
832	T	27.9	Very low	28.2	Very low	102 Å²	102	116.6 Å²	116.6	63%	0.626	68%	0.682	S	S	*	*			trans	-63.3	105.7	170.1	47.5	0	0	0	0	107.7	S830 T834	S830-T832 VanDerWaalsContact C-N 3.33Å; S830-T832 PolarHBondContact O-N 2.91Å; T832-T834 PolarHBondContact O-N 3.14Å
833	T	25.1	Very low	27.6	Very low	134 Å²	134	119.7 Å²	119.7	82%	0.822	69%	0.692	S	S	*	*			trans	-68.8	77	162.4	31.9	0	0	0	0	107.9	S831 T835	S831-T833 PolarHBondContact O-N 2.78Å; T833-T835 PolarHBondContact O-N 3.42Å
834	T	25.3	Very low	26.9	Very low	105 Å²	105	120 Å²	120	64%	0.644	69%	0.694	S	S	*	*			trans	-63.3	102.8	163	37.1	0	0	0	0	107.1	T832 T836	T832-T834 PolarHBondContact O-N 3.14Å; T834-T836 PolarHBondContact O-N 2.9Å
835	T	23.9	Very low	26.5	Very low	137 Å²	137	123 Å²	123	84%	0.84	71%	0.708	S	S	*	*			trans	-64.2	81.7	162.8	10	0	0	0	0	107.3	T833 T837	T833-T835 PolarHBondContact O-N 3.42Å; T835-T837 PolarHBondContact O-N 3.28Å
836	T	24.3	Very low	25.9	Very low	110 Å²	110	124.6 Å²	124.6	68%	0.675	71%	0.712	S	S	*	*			trans	-69.4	100.6	170.1	34.2	0	0	0	0	108.4	T834 T838	T834-T836 PolarHBondContact O-N 2.9Å; T836-T838 VanDerWaalsContact C-N 3.32Å; T836-T838 PolarHBondContact O-N 3.15Å; T836-T838 VanDerWaalsContact O-N 3.1Å
837	T	25.4	Very low	25.3	Very low	141 Å²	141	128.7 Å²	128.7	87%	0.865	73%	0.73	S	S	*	*			trans	-66.2	91.4	157.5	26.6	0	0	0	0	108	T835	T835-T837 PolarHBondContact O-N 3.28Å
838	T	24	Very low	24.9	Very low	116 Å²	116	130.2 Å²	130.2	71%	0.712	74%	0.74	S	S	*	*			trans	-130.1	102.1	164.8	41	0	0	0	0	109.2	T836	T836-T838 VanDerWaalsContact C-N 3.32Å; T836-T838 PolarHBondContact O-N 3.15Å; T836-T838 VanDerWaalsContact O-N 3.1Å
839	T	22.1	Very low	24.5	Very low	137 Å²	137	130 Å²	130	84%	0.84	76%	0.756	S	S	*	*			trans	-13.9	135.2	154.5	-15.4	0	0	0	0	116.4
840	A	23.7	Very low	24.1	Very low	90 Å²	90	131.2 Å²	131.2	74%	0.744	76%	0.755	S	S	*	*			trans	67	95	152.3	0	0	0	0	0	118.1
841	M	21.1	Very low	24	Very low	193 Å²	193	135.2 Å²	135.2	95%	0.951	77%	0.77	S	S	*	*				-142.2	119.2	128.3	-77.6	-152.8	-165.9	0	0	110.1	H843	M841-H843 PolarHBondContact O-N 3.1Å
842	N	23.9	Very low	23.9	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	77%	0.769	S	S	*	*			trans	-48.1	125.1	163.2	-77.1	-38.1	0	0	0	110.5
843	H	24.3	Very low	23.8	Very low	185 Å²	185	140 Å²	140	86%	0.856	78%	0.778	S	S	*	*			trans	-143.3	97.2	140.8	-104	-56.7	0	0	0	109	M841	M841-H843 PolarHBondContact O-N 3.1Å
844	N	21.5	Very low	23.8	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	77%	0.772	S	S	*	*			trans	-62.5	133.4	152.2	-78.9	-33.9	0	0	0	108.4
845	E	25	Very low	23.8	Very low	173 Å²	173	141.8 Å²	141.8	81%	0.808	78%	0.779	S	S	*	*			trans	170.1	95.3	141.1	-95.9	169.1	-171.7	0	0	107.1
846	Q	21.6	Very low	23.9	Very low	156 Å²	156	142.1 Å²	142.1	73%	0.729	78%	0.781	S	S	*	*				85.6	112.1	94.3	-88.3	-167.1	-11	0	0	114.5
847	Q	22.2	Very low	23.9	Very low	149 Å²	149	145.2 Å²	145.2	70%	0.696	79%	0.792	S	S	*	*			trans	88.3	114.4	130.1	-71.9	-176.8	-5.4	0	0	121.3
848	N	23.3	Very low	24	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	79%	0.791	S	S	*	*				70.2	106.7	125.5	-69.6	-8.3	0	0	0	119.7
849	G	24.2	Very low	24.1	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	80%	0.799	S	S	*	*			trans	-156.3	79.2	155.9	0	0	0	0	0	110.1	I851	G849-I851 PolarHBondContact O-N 2.89Å
850	I	21.9	Very low	24.3	Very low	144 Å²	144	146.8 Å²	146.8	74%	0.738	80%	0.801	S	S	*	*			trans	-58.1	120.5	173.5	-63.7	162.9	0	0	0	109	E852	I850-E852 HydrophobicContact CG2-CG 4.27Å
851	I	26.3	Very low	24.6	Very low	150 Å²	150	149 Å²	149	77%	0.769	80%	0.801	S	S	*	*			trans	-131.6	91	157.9	-57.5	-178.3	0	0	0	106.9	G849	G849-I851 PolarHBondContact O-N 2.89Å
852	E	24.3	Very low	25.2	Very low	154 Å²	154	144.9 Å²	144.9	72%	0.72	79%	0.79	S	S	*	*			trans	-68.9	122	161.3	-72.6	179.8	145.7	0	0	108.6	I850	I850-E852 HydrophobicContact CG2-CG 4.27Å
853	N	26.8	Very low	25.7	Very low	154 Å²	154	145 Å²	145	82%	0.824	79%	0.79	S	S	*	*			trans	-137	82.4	155.8	-93.9	-25.2	0	0	0	107.3
854	N	25.2	Very low	26.6	Very low	130 Å²	130	138.4 Å²	138.4	70%	0.695	77%	0.765	S	S	*	*			trans	-69.3	152.9	165.8	-82	-31.4	0	0	0	110.2
855	N	24.9	Very low	27.7	Very low	146 Å²	146	139.6 Å²	139.6	78%	0.781	77%	0.766	S	S	*	*			trans	98.8	89.7	166	-50.2	-22.3	0	0	0	114.9
856	T	26.1	Very low	28.8	Very low	145 Å²	145	138.6 Å²	138.6	89%	0.89	76%	0.761	S	S	*	*	S	Bend		171.2	36.9	126.5	35.7	0	0	0	0	113.7
857	L	24.5	Very low	29.8	Very low	174 Å²	174	134.4 Å²	134.4	91%	0.911	74%	0.744	S	S	*	*			trans	-132.2	48.7	167.6	-135.4	89.9	0	0	0	111.5
858	G	27.2	Very low	30.9	Very low	82 Å²	82	130 Å²	130	85%	0.845	73%	0.733	S	S	*	*			trans	-96.8	30.6	-172.5	0	0	0	0	0	116
859	M	25.8	Very low	32.1	Very low	177 Å²	177	127.6 Å²	127.6	87%	0.872	72%	0.717	S	S	*	*	S	Bend	trans	-138.2	16.8	-176.8	-114.5	-170.7	79.5	0	0	117.6
860	L	27.2	Very low	33.4	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	70%	0.7	S	S	*	*	S	Bend	trans	-132.9	29.4	171.8	-72.6	173.4	0	0	0	113.7
861	N	28.7	Very low	34.6	Very low	137 Å²	137	122.9 Å²	122.9	73%	0.733	69%	0.686	S	S	*	*			trans	-121.1	93.7	175.1	-81.9	-9.1	0	0	0	111
862	S	33.8	Very low	35.6	Very low	105 Å²	105	121.4 Å²	121.4	73%	0.734	67%	0.67	S	S	*	*			trans	167.1	72.1	135.9	43.2	0	0	0	0	108.4	S864	S862-S864 PolarHBondContact O-N 3.28Å
863	L	36.1	Very low	37	Very low	152 Å²	152	118.6 Å²	118.6	80%	0.796	66%	0.66	S	S	*	*			trans	-65.8	104	148.8	-76.7	165.1	0	0	0	103.9	D867	L863-D867 WeakPolarHBondContact CA-OD2 3.21Å; L863-D867 HydrophobicContact CB-CB 4.23Å; L863-D867 HydrophobicContact CD2-CB 3.72Å
864	S	42.9	Very low	38.3	Very low	48 Å²	48	117.8 Å²	117.8	34%	0.336	65%	0.651	S	S	.	*			trans	-59.4	156.1	179.4	62.8	0	0	0	0	108.8	S862 E866 D867 A868	S862-S864 PolarHBondContact O-N 3.28Å; S864-E866 PolarHBondContact O-N 3.03Å; S864-E866 WeakPolarHBondContact OG-CB 3.5Å; S864-D867 PolarHBondContact N-OD2 3.4Å; S864-D867 WeakPolarHBondContact O-CB 3.36Å; S864-D867 PolarHBondContact O-N 2.83Å; S864-D867 VanDerWaalsContact OG-CG 3.27Å; S864-D867 PolarHBondContact OG-N 3.22Å; S864-D867 PolarHBondContact OG-OD2 2.8Å; S864-A868 PolarHBondContact O-N 3.21Å
865	E	44.1	Very low	39.2	Very low	169 Å²	169	114.7 Å²	114.7	79%	0.79	63%	0.633	S	S	*	*	H	α-helix	trans	-47.8	-32.6	169.5	-177.8	173.2	-178.4	0	0	111.2	A868 E869	E865-A868 PolarHBondContact O-N 2.95Å; E865-E869 VanDerWaalsContact O-CB 3.29Å; E865-E869 WeakPolarHBondContact O-CB 3.33Å; E865-E869 PolarHBondContact O-N 2.71Å
866	E	47.1	Very low	40.2	Very low	152 Å²	152	110.4 Å²	110.4	71%	0.71	62%	0.618	S	S	*	*	H	α-helix	trans	-65.3	-37.7	175	-150.8	154.3	-164.1	0	0	113.1	S864 A870	S864-E866 PolarHBondContact O-N 3.03Å; S864-E866 WeakPolarHBondContact OG-CB 3.5Å; E866-A870 WeakPolarHBondContact O-CB 3.18Å; E866-A870 PolarHBondContact O-N 2.85Å
867	D	43.9	Very low	41.3	Very low	67 Å²	67	106.6 Å²	106.6	36%	0.358	60%	0.601	S	S	.	*	H	α-helix	trans	-72.2	-38.9	176	-60.9	-51.9	0	0	0	111.9	L863 S864 A870 T871	L863-D867 WeakPolarHBondContact CA-OD2 3.21Å; L863-D867 HydrophobicContact CB-CB 4.23Å; L863-D867 HydrophobicContact CD2-CB 3.72Å; S864-D867 PolarHBondContact N-OD2 3.4Å; S864-D867 WeakPolarHBondContact O-CB 3.36Å; S864-D867 PolarHBondContact O-N 2.83Å; S864-D867 VanDerWaalsContact OG-CG 3.27Å; S864-D867 PolarHBondContact OG-N 3.22Å; S864-D867 PolarHBondContact OG-OD2 2.8Å; D867-A870 PolarHBondContact O-N 2.84Å; D867-T871 WeakPolarHBondContact O-CB 3.29Å; D867-T871 PolarHBondContact O-N 3.03Å; D867-T871 PolarHBondContact O-OG1 2.89Å
868	A	44	Very low	42.1	Very low	57 Å²	57	101.3 Å²	101.3	47%	0.471	58%	0.579	S	S	.	*	H	α-helix	trans	-68.5	-39.5	175.3	0	0	0	0	0	111.1	S864 E865 R872	S864-A868 PolarHBondContact O-N 3.21Å; E865-A868 PolarHBondContact O-N 2.95Å; A868-R872 WeakPolarHBondContact O-CB 3.36Å; A868-R872 PolarHBondContact O-N 2.84Å
869	E	48.9	Very low	42.9	Very low	92 Å²	92	99.2 Å²	99.2	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-67.9	-40.9	173.9	-170.7	176.5	-160.9	0	0	111.7	E865 R872 L873	E865-E869 VanDerWaalsContact O-CB 3.29Å; E865-E869 WeakPolarHBondContact O-CB 3.33Å; E865-E869 PolarHBondContact O-N 2.71Å; E869-R872 WeakPolarHBondContact O-CB 3.33Å; E869-R872 PolarHBondContact O-N 2.92Å; E869-R872 IonicContact OE1-NH2 3.16Å; E869-L873 HydrophobicContact CG-CD1 4.03Å; E869-L873 HydrophobicContact CG-CG 4.36Å; E869-L873 WeakPolarHBondContact O-CB 3.21Å; E869-L873 WeakPolarHBondContact O-CG 3.46Å; E869-L873 PolarHBondContact O-N 2.96Å
870	A	52.7	Low	43.6	Very low	51 Å²	51	92.2 Å²	92.2	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-60	-47.1	174.5	0	0	0	0	0	111	E866 D867 R872 L873 E874	E866-A870 WeakPolarHBondContact O-CB 3.18Å; E866-A870 PolarHBondContact O-N 2.85Å; D867-A870 PolarHBondContact O-N 2.84Å; A870-R872 VanDerWaalsContact C-N 3.31Å; A870-R872 PolarHBondContact O-N 2.93Å; A870-L873 PolarHBondContact O-N 2.88Å; A870-E874 WeakPolarHBondContact O-CB 3.38Å; A870-E874 PolarHBondContact O-N 3.39Å
871	T	46.7	Very low	44.5	Very low	70 Å²	70	86.8 Å²	86.8	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-39.8	176.6	-47.7	0	0	0	0	110.9	D867 M875	D867-T871 WeakPolarHBondContact O-CB 3.29Å; D867-T871 PolarHBondContact O-N 3.03Å; D867-T871 PolarHBondContact O-OG1 2.89Å; T871-M875 HydrophobicContact CG2-CE 3.98Å; T871-M875 WeakPolarHBondContact O-CB 3.38Å; T871-M875 VanDerWaalsContact O-CG 3.29Å; T871-M875 WeakPolarHBondContact O-CG 3.41Å; T871-M875 PolarHBondContact O-N 2.97Å
872	R	47.5	Very low	45	Very low	118 Å²	118	83.1 Å²	83.1	45%	0.445	48%	0.483	S	S	.	.	H	α-helix	trans	-64	-43.6	175.4	-172	-171.5	73.1	104.8	-1.7	111.8	A868 E869 A870 A876	A868-R872 WeakPolarHBondContact O-CB 3.36Å; A868-R872 PolarHBondContact O-N 2.84Å; E869-R872 WeakPolarHBondContact O-CB 3.33Å; E869-R872 PolarHBondContact O-N 2.92Å; E869-R872 IonicContact OE1-NH2 3.16Å; A870-R872 VanDerWaalsContact C-N 3.31Å; A870-R872 PolarHBondContact O-N 2.93Å; R872-A876 WeakPolarHBondContact O-CB 3.47Å; R872-A876 PolarHBondContact O-N 3.31Å
873	L	53.5	Low	45.3	Very low	95 Å²	95	82.1 Å²	82.1	50%	0.497	47%	0.469	S	S	.	.	H	α-helix	trans	-67.8	-39.9	178.7	-77.3	168.8	0	0	0	111.4	E869 A870 A876 A877	E869-L873 HydrophobicContact CG-CD1 4.03Å; E869-L873 HydrophobicContact CG-CG 4.36Å; E869-L873 WeakPolarHBondContact O-CB 3.21Å; E869-L873 WeakPolarHBondContact O-CG 3.46Å; E869-L873 PolarHBondContact O-N 2.96Å; A870-L873 PolarHBondContact O-N 2.88Å; L873-A876 PolarHBondContact O-N 3.47Å; L873-A877 WeakPolarHBondContact O-CB 3.36Å; L873-A877 PolarHBondContact O-N 3.37Å
874	E	52.9	Low	45.6	Very low	138 Å²	138	81.3 Å²	81.3	65%	0.645	47%	0.465	S	S	*	.	H	α-helix	trans	-66.7	-42.4	176.2	-169.7	175.3	-167.6	0	0	111.4	A870 A877 S878	A870-E874 WeakPolarHBondContact O-CB 3.38Å; A870-E874 PolarHBondContact O-N 3.39Å; E874-A877 PolarHBondContact O-N 3.28Å; E874-S878 WeakPolarHBondContact O-CB 3.35Å; E874-S878 PolarHBondContact O-N 3.42Å; E874-S878 PolarHBondContact O-OG 3.35Å
875	M	44.9	Very low	45.6	Very low	65 Å²	65	84.6 Å²	84.6	32%	0.32	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-43.5	173	-74	-171.5	-64.4	0	0	111.8	T871 S878 V879	T871-M875 HydrophobicContact CG2-CE 3.98Å; T871-M875 WeakPolarHBondContact O-CB 3.38Å; T871-M875 VanDerWaalsContact O-CG 3.29Å; T871-M875 WeakPolarHBondContact O-CG 3.41Å; T871-M875 PolarHBondContact O-N 2.97Å; M875-S878 PolarHBondContact O-N 3.36Å; M875-V879 VanDerWaalsContact O-CG2 3.3Å; M875-V879 WeakPolarHBondContact O-CG2 3.38Å; M875-V879 PolarHBondContact O-N 3.42Å
876	A	46.9	Very low	45.2	Very low	56 Å²	56	83 Å²	83	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-39.1	177.4	0	0	0	0	0	112	R872 L873 V879 G880	R872-A876 WeakPolarHBondContact O-CB 3.47Å; R872-A876 PolarHBondContact O-N 3.31Å; L873-A876 PolarHBondContact O-N 3.47Å; A876-V879 PolarHBondContact O-N 3.48Å; A876-G880 PolarHBondContact O-N 2.79Å
877	A	48.1	Very low	44.6	Very low	64 Å²	64	81.5 Å²	81.5	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-65.4	-40.3	173.9	0	0	0	0	0	111.3	L873 E874 G880 A881	L873-A877 WeakPolarHBondContact O-CB 3.36Å; L873-A877 PolarHBondContact O-N 3.37Å; E874-A877 PolarHBondContact O-N 3.28Å; A877-G880 PolarHBondContact O-N 3.09Å; A877-A881 VanDerWaalsContact O-CB 3.31Å; A877-A881 WeakPolarHBondContact O-CB 3.41Å; A877-A881 PolarHBondContact O-N 3.45Å
878	S	42.4	Very low	44	Very low	63 Å²	63	83.7 Å²	83.7	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-64.7	-42	175.5	-59.9	0	0	0	0	111.8	E874 M875 A881 L882	E874-S878 WeakPolarHBondContact O-CB 3.35Å; E874-S878 PolarHBondContact O-N 3.42Å; E874-S878 PolarHBondContact O-OG 3.35Å; M875-S878 PolarHBondContact O-N 3.36Å; S878-A881 PolarHBondContact O-N 3.18Å; S878-L882 VanDerWaalsContact O-CG 3.29Å; S878-L882 WeakPolarHBondContact O-CG 3.45Å; S878-L882 PolarHBondContact O-N 3.22Å
879	V	43.3	Very low	43.4	Very low	38 Å²	38	88.5 Å²	88.5	23%	0.23	50%	0.495	C	S	.	.	H	α-helix	trans	-65.7	-42.2	174.1	172.9	0	0	0	0	111.2	A113 M875 A876 L882 D883	A113-V879 HydrophobicContact CB-CG2 4.41Å; M875-V879 VanDerWaalsContact O-CG2 3.3Å; M875-V879 WeakPolarHBondContact O-CG2 3.38Å; M875-V879 PolarHBondContact O-N 3.42Å; A876-V879 PolarHBondContact O-N 3.48Å; V879-L882 WeakPolarHBondContact O-CB 3.46Å; V879-L882 PolarHBondContact O-N 2.85Å; V879-D883 PolarHBondContact O-N 3.03Å
880	G	40.7	Very low	42.5	Very low	30 Å²	30	91.2 Å²	91.2	31%	0.309	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-35.6	176.3	0	0	0	0	0	113.4	A876 A877 D883 N884	A876-G880 PolarHBondContact O-N 2.79Å; A877-G880 PolarHBondContact O-N 3.09Å; G880-D883 PolarHBondContact O-N 3Å; G880-N884 PolarHBondContact O-N 3.3Å; G880-N884 PolarHBondContact O-ND2 3.43Å
881	A	45.4	Very low	41.3	Very low	56 Å²	56	95.5 Å²	95.5	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-39.5	173.1	0	0	0	0	0	111.5	A877 S878 N884 Q885	A877-A881 VanDerWaalsContact O-CB 3.31Å; A877-A881 WeakPolarHBondContact O-CB 3.41Å; A877-A881 PolarHBondContact O-N 3.45Å; S878-A881 PolarHBondContact O-N 3.18Å; A881-N884 PolarHBondContact O-N 3.05Å; A881-Q885 PolarHBondContact O-N 3.46Å; A881-Q885 VanDerWaalsContact O-N 3.14Å
882	L	39.7	Very low	40.6	Very low	60 Å²	60	98.1 Å²	98.1	31%	0.314	55%	0.545	S	S	.	.	H	α-helix	trans	-63.8	-48.4	172.6	-72.5	165.5	0	0	0	111	S878 V879 N884 Q885 Y886	S878-L882 VanDerWaalsContact O-CG 3.29Å; S878-L882 WeakPolarHBondContact O-CG 3.45Å; S878-L882 PolarHBondContact O-N 3.22Å; V879-L882 WeakPolarHBondContact O-CB 3.46Å; V879-L882 PolarHBondContact O-N 2.85Å; L882-N884 VanDerWaalsContact C-N 3.27Å; L882-N884 PolarHBondContact O-N 2.87Å; L882-Q885 PolarHBondContact O-N 2.96Å; L882-Y886 HydrophobicContact CD2-CE2 3.87Å; L882-Y886 WeakPolarHBondContact O-CD2 3.37Å; L882-Y886 PolarHBondContact O-N 2.83Å; L882-Y886 VanDerWaalsContact O-N 3.13Å
883	D	40.7	Very low	39.8	Very low	84 Å²	84	99 Å²	99	45%	0.449	56%	0.557	S	S	.	*	H	α-helix	trans	-57.5	-40.5	178	-91.1	-9.5	0	0	0	111.7	V879 G880 Q885 Y886 L887	V879-D883 PolarHBondContact O-N 3.03Å; G880-D883 PolarHBondContact O-N 3Å; D883-Q885 VanDerWaalsContact C-N 3.33Å; D883-Q885 PolarHBondContact O-N 2.81Å; D883-Y886 PolarHBondContact O-N 3.03Å; D883-L887 HydrophobicContact CB-CD1 4.41Å; D883-L887 WeakPolarHBondContact O-CB 3.49Å; D883-L887 WeakPolarHBondContact O-CD1 3.44Å; D883-L887 PolarHBondContact O-N 3.43Å
884	N	42.5	Very low	38.6	Very low	135 Å²	135	101.5 Å²	101.5	72%	0.722	57%	0.571	S	S	*	*	H	α-helix	trans	-69.6	-25.5	177	-75	-23.7	0	0	0	114	G880 A881 L882	G880-N884 PolarHBondContact O-N 3.3Å; G880-N884 PolarHBondContact O-ND2 3.43Å; A881-N884 PolarHBondContact O-N 3.05Å; L882-N884 VanDerWaalsContact C-N 3.27Å; L882-N884 PolarHBondContact O-N 2.87Å
885	Q	41.7	Very low	37.4	Very low	116 Å²	116	103.2 Å²	103.2	54%	0.542	58%	0.579	S	S	.	*	H	α-helix	trans	-78.6	-25.9	174.4	-103.7	-179	-13.9	0	0	112.9	A881 L882 D883	A881-Q885 PolarHBondContact O-N 3.46Å; A881-Q885 VanDerWaalsContact O-N 3.14Å; L882-Q885 PolarHBondContact O-N 2.96Å; D883-Q885 VanDerWaalsContact C-N 3.33Å; D883-Q885 PolarHBondContact O-N 2.81Å
886	Y	36.7	Very low	36.5	Very low	136 Å²	136	103.8 Å²	103.8	53%	0.533	58%	0.582	S	S	.	*	H	α-helix	trans	-115.3	-5.2	-170.5	-64.3	-70.3	0	0	0	115.2	L102 L882 D883 P888	L102-Y886 VanDerWaalsContact CD2-OH 3.28Å; L102-Y886 WeakPolarHBondContact CD2-OH 3.16Å; L882-Y886 HydrophobicContact CD2-CE2 3.87Å; L882-Y886 WeakPolarHBondContact O-CD2 3.37Å; L882-Y886 PolarHBondContact O-N 2.83Å; L882-Y886 VanDerWaalsContact O-N 3.13Å; D883-Y886 PolarHBondContact O-N 3.03Å; Y886-P888 WeakPolarHBondContact O-CD 3.29Å
887	L	33	Very low	35.5	Very low	120 Å²	120	108 Å²	108	63%	0.628	60%	0.597	S	S	*	*	S	Bend	trans	-73.3	112.8	163.7	-87.9	149.2	0	0	0	108.6	D883 N889	D883-L887 HydrophobicContact CB-CD1 4.41Å; D883-L887 WeakPolarHBondContact O-CB 3.49Å; D883-L887 WeakPolarHBondContact O-CD1 3.44Å; D883-L887 PolarHBondContact O-N 3.43Å; L887-N889 PolarHBondContact O-N 2.78Å
888	P	32.2	Very low	34.5	Very low	114 Å²	114	114 Å²	114	74%	0.74	61%	0.607	S	S	*	*			trans	-74.7	98.5	-166.1	31.4	-32.9	0	0	0	109.1	Y886	Y886-P888 WeakPolarHBondContact O-CD 3.29Å
889	N	30.7	Very low	33.6	Very low	157 Å²	157	117.2 Å²	117.2	84%	0.84	62%	0.624	S	S	*	*			trans	-98.6	105.9	148.1	-81	-22.4	0	0	0	106	L887 N891	L887-N889 PolarHBondContact O-N 2.78Å; N889-N891 PolarHBondContact O-N 2.89Å
890	D	30.8	Very low	32.8	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	65%	0.652	S	S	*	*			trans	-32.5	114	159.2	-77.2	-39.4	0	0	0	108.8
891	N	27.8	Very low	32.1	Very low	141 Å²	141	126.7 Å²	126.7	75%	0.754	67%	0.674	S	S	*	*	S	Bend	trans	162.7	107.9	145.5	-76	-26.9	0	0	0	110	N889	N889-N891 PolarHBondContact O-N 2.89Å
892	T	30.8	Very low	31.2	Very low	126 Å²	126	129 Å²	129	77%	0.773	69%	0.687	S	S	*	*			trans	51.4	86.7	144.3	60.2	0	0	0	0	116.7
893	L	30.3	Very low	30.6	Very low	136 Å²	136	132.1 Å²	132.1	71%	0.712	71%	0.709	S	S	*	*			trans	-105.7	55.4	165.7	-146.9	80.6	0	0	0	110.4	I896	L893-I896 HydrophobicContact CD2-CD1 3.66Å; L893-I896 HydrophobicContact CD2-CG1 4.37Å; L893-I896 HydrophobicContact CG-CD1 4.21Å; L893-I896 HydrophobicContact CG-CG1 4.49Å
894	D	29.7	Very low	29.8	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	73%	0.725	S	S	*	*			trans	-74.5	135.6	157.1	-80.4	-33.9	0	0	0	107.6
895	H	26.6	Very low	29.1	Very low	174 Å²	174	132.4 Å²	132.4	81%	0.806	71%	0.713	S	S	*	*			trans	84.4	65.2	-178.5	-72.7	18.5	0	0	0	117.6
896	I	26.9	Very low	28.5	Very low	78 Å²	78	137.2 Å²	137.2	40%	0.4	73%	0.726	S	S	.	*			trans	-121.1	96.8	143.2	-56.4	-178.2	0	0	0	107.6	L893 Y898	L893-I896 HydrophobicContact CD2-CD1 3.66Å; L893-I896 HydrophobicContact CD2-CG1 4.37Å; L893-I896 HydrophobicContact CG-CD1 4.21Å; L893-I896 HydrophobicContact CG-CG1 4.49Å; I896-Y898 WeakPolarHBondContact O-CD2 3.25Å; I896-Y898 PolarHBondContact O-N 3.22Å
897	D	24.9	Very low	28.2	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	74%	0.735	S	S	*	*			trans	-66.6	109	169	-85.5	-33.7	0	0	0	109	T899	D897-T899 PolarHBondContact O-N 3.26Å
898	Y	27.9	Very low	28.2	Very low	192 Å²	192	137 Å²	137	75%	0.753	74%	0.742	S	S	*	*			trans	-75.4	85	177.9	-72.5	-92.7	0	0	0	110.9	I896	I896-Y898 WeakPolarHBondContact O-CD2 3.25Å; I896-Y898 PolarHBondContact O-N 3.22Å
899	T	23.4	Very low	28	Very low	129 Å²	129	138.2 Å²	138.2	79%	0.791	74%	0.741	S	S	*	*			trans	-102.5	65.1	157.4	50.8	0	0	0	0	109.9	D897 S901	D897-T899 PolarHBondContact O-N 3.26Å; T899-S901 PolarHBondContact O-N 3.38Å
900	L	26.9	Very low	27.9	Very low	155 Å²	155	137.8 Å²	137.8	81%	0.812	74%	0.737	S	S	*	*			trans	-88.6	90.9	163	-92.6	158.7	0	0	0	108.4	S902	L900-S902 VanDerWaalsContact C-N 3.33Å; L900-S902 PolarHBondContact O-N 3.04Å
901	S	25.1	Very low	27.7	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	74%	0.743	S	S	*	*			trans	-56.8	89.8	166.1	-62.8	0	0	0	0	110.7	T899	T899-S901 PolarHBondContact O-N 3.38Å
902	S	27	Very low	27.6	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	73%	0.733	S	S	*	*			trans	-131.9	39.5	158.6	83.8	0	0	0	0	111.4	L900 I904	L900-S902 VanDerWaalsContact C-N 3.33Å; L900-S902 PolarHBondContact O-N 3.04Å; S902-I904 PolarHBondContact O-N 3.04Å
903	T	26.7	Very low	27.6	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	74%	0.741	S	S	*	*			trans	-69.6	100.2	152.3	2.9	0	0	0	0	106.4	P905	T903-P905 WeakPolarHBondContact O-CD 3.46Å
904	I	25	Very low	27.5	Very low	153 Å²	153	140.6 Å²	140.6	79%	0.785	75%	0.748	S	S	*	*			trans	-85.6	98.1	152.6	-61.2	175.3	0	0	0	104.4	S902 R906	S902-I904 PolarHBondContact O-N 3.04Å; I904-R906 PolarHBondContact O-N 3.07Å; I904-R906 VanDerWaalsContact O-N 3.16Å
905	P	26.1	Very low	27.6	Very low	72 Å²	72	138.3 Å²	138.3	47%	0.468	74%	0.742	S	S	.	*			trans	-72.1	115.2	175.8	-4.1	24.3	0	0	0	106.2	T903 S907 L908	T903-P905 WeakPolarHBondContact O-CD 3.46Å; P905-S907 PolarHBondContact O-N 2.98Å; P905-L908 PolarHBondContact O-N 3.33Å
906	R	29.3	Very low	27.6	Very low	217 Å²	217	136 Å²	136	82%	0.819	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-62.5	3.6	176.3	-92.4	-174.6	177.4	179.6	0.9	114.3	I904 L908 I909	I904-R906 PolarHBondContact O-N 3.07Å; I904-R906 VanDerWaalsContact O-N 3.16Å; R906-L908 PolarHBondContact O-N 2.93Å; R906-L908 VanDerWaalsContact O-N 3.13Å; R906-I909 PolarHBondContact O-N 3.37Å
907	S	32.1	Very low	27.7	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-65.4	-6.2	169.4	58.4	0	0	0	0	113.9	P905	P905-S907 PolarHBondContact O-N 2.98Å
908	L	31.6	Very low	27.7	Very low	149 Å²	149	135.3 Å²	135.3	78%	0.78	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-90.9	6.3	172.7	-92.8	153.5	0	0	0	115	P905 R906	P905-L908 PolarHBondContact O-N 3.33Å; R906-L908 PolarHBondContact O-N 2.93Å; R906-L908 VanDerWaalsContact O-N 3.13Å
909	I	27.9	Very low	27.6	Very low	138 Å²	138	136.7 Å²	136.7	71%	0.708	76%	0.758	S	S	*	*			trans	-124.4	54.8	172.7	-44	178.4	0	0	0	110.2	R906	R906-I909 PolarHBondContact O-N 3.37Å
910	I	28.9	Very low	27.7	Very low	148 Å²	148	138.1 Å²	138.1	76%	0.759	76%	0.761	S	S	*	*			trans	-132.1	80	151.7	-55.1	-179.4	0	0	0	106.4	G912	I910-G912 VanDerWaalsContact C-N 3.27Å; I910-G912 PolarHBondContact O-N 2.98Å
911	N	26	Very low	27.9	Very low	172 Å²	172	136 Å²	136	92%	0.92	76%	0.759	S	S	*	*			trans	-65.2	94.1	157.8	-81.6	-22.7	0	0	0	107
912	G	27.3	Very low	28.1	Very low	54 Å²	54	135.3 Å²	135.3	56%	0.557	76%	0.755	S	S	*	*			trans	-154	81.6	178.4	0	0	0	0	0	110.1	I910	I910-G912 VanDerWaalsContact C-N 3.27Å; I910-G912 PolarHBondContact O-N 2.98Å
913	E	30.3	Very low	28.4	Very low	199 Å²	199	139.3 Å²	139.3	93%	0.93	78%	0.782	S	S	*	*			trans	65	133.5	156.7	-63.3	179.3	161.3	0	0	119.1
914	Q	27.8	Very low	28.4	Very low	186 Å²	186	140 Å²	140	87%	0.869	78%	0.783	S	S	*	*			trans	-60.7	149.8	-170.2	-159	163.8	2.4	0	0	113.4
915	P	32.6	Very low	28.6	Very low	99 Å²	99	139.3 Å²	139.3	64%	0.643	78%	0.783	S	S	*	*			trans	-82.1	158	-165.9	34.4	-35.2	0	0	0	112.2	P917	P915-P917 VanDerWaalsContact O-CD 3.25Å; P915-P917 WeakPolarHBondContact O-CD 3.4Å
916	P	25.9	Very low	28.8	Very low	125 Å²	125	143 Å²	143	81%	0.812	80%	0.8	S	S	*	*			trans	-86.2	111.3	156.4	30.9	-25.2	0	0	0	109.5
917	P	28.9	Very low	28.7	Very low	110 Å²	110	138.6 Å²	138.6	71%	0.714	80%	0.799	S	S	*	*			trans	-93.1	113.3	167.6	33.7	-22.8	0	0	0	108.3	P915	P915-P917 VanDerWaalsContact O-CD 3.25Å; P915-P917 WeakPolarHBondContact O-CD 3.4Å
918	S	25.9	Very low	28.5	Very low	98 Å²	98	140.9 Å²	140.9	69%	0.685	80%	0.804	S	S	*	*			trans	175.7	116	151.8	33.2	0	0	0	0	109.8
919	Y	25	Very low	28.3	Very low	220 Å²	220	140.3 Å²	140.3	86%	0.863	81%	0.806	S	S	*	*				-165.7	91.4	111.1	-95.7	-74.4	0	0	0	106.4
920	N	25.7	Very low	28.3	Very low	159 Å²	159	140.5 Å²	140.5	85%	0.85	81%	0.813	S	S	*	*			trans	-85.5	116.2	161.4	-118.3	1.1	0	0	0	106.4
921	S	31.6	Very low	28.3	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	82%	0.817	S	S	*	*			trans	-149.8	68.4	156.9	67.5	0	0	0	0	109.1
922	S	28.6	Very low	28.5	Very low	99 Å²	99	137.3 Å²	137.3	69%	0.692	81%	0.808	S	S	*	*			trans	-69.8	122.1	151.3	52.2	0	0	0	0	108.2
923	S	32.2	Very low	28.6	Very low	188 Å²	188	144.8 Å²	144.8	100%	1.315	83%	0.831	S	S	*	*			trans	51.2	0	158.2	63.6	0	0	0	0	118.9

Retrieved 923 of 923 residues in 590.1 ms (Link to these results)

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