A0A087XV40_POEFO Loading...

Prickle homolog 2b

AlphaFold DB , UniProt , Accession A0A087XV40, Species POEFO (Poecilia formosa, Amazon molly), Gene PRICKLE2, Length 856 aa.

						>A0A087XV40_POEFO|A0A087XV40|PRICKLE2
MPVEMEKTVTKLMYDFQRNSTSDDDSGCALEEYAWVPPGLKPEQVHHYYSSLPEDKVPYVNSPGEKYRIKQLLHQLPPHDNEVRYCNSLDDEEKRELKLFSNQRKRENLGRGNVRPFPVTMMGAICEQCGGQINGGDIAVFASRAGHGVCWHPACFVCSTCKELLVDLIYFYQDGKIYCGRHHAERLKPRCTACDEIIFADECTEAEGRHWHMKHFCCFECETVLGGQRYIMKEGRPYCCSCFESLYAEYCDSCGEHIGIDQGQMTYDGQHWHATEGCFCCARCKRSLLGRPFLPKQGQIFCSRSCSLGEEPNGSDSSDSAFQSARSTRESRRSTKTSKSGGGAPPERHSGEVDPLSLQMDLLSLSSQTPSLTREPPSWQNQEQAGDGYGYEPQPDPTADPTPLQILSQCNVRSSYSAACPGQSSQQHDHRISENGGLKRPPMSAMKGQSFSESWLQPAAPEEYYPPKLRTQKSFAEVQHNGFSSDKRSISLHGFQRDRDGGAQTTAQVARSRNPINALNFTEQLTPLEQTPRGSMESLALSNATGNSADGGGKSQDNLSRFSMPDLSKDSGMNVSEKSNMDTLNSSVQFRSSESIHSLNASQPYLEMNPPRSSQYQMQYCDPSGMRVSAAVTHLPPAFAYQEEDRMVSSANAARLPPISECRVSGVGIRGASVRKDAAEDTPQKRRHHHHRQRRSRRSRSENALNLVADRRARPQDRPQLSVREDYDRFPPPRSAANQFGAGGRGRYQPQLFRQCPRTTSDLCLQNPAANRRTGLSQYSWDEYYDDDWCSTCSSSSESEDEGYFLGEPIPRPIQLRYINNQEMVHKYNNAGIGGPNRSGQLHTRKRRKSKNCIIS
					

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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	52	Low	61.7	Low	217 Å²	217	117.6 Å²	117.6	100%	1.069	60%	0.604	S	S	*	*				0	151.7	0	-66	-50.9	-167.4	0	0	109
2	P	62.8	Low	61.7	Low	79 Å²	79	117.3 Å²	117.3	51%	0.513	60%	0.603	S	S	.	*			trans	-71.7	138.4	-179.5	-17.7	32.5	0	0	0	112.7	E4 M5	P2-E4 PolarHBondContact O-N 3.4Å; P2-M5 PolarHBondContact O-N 3.01Å
3	V	57.7	Low	61.2	Low	87 Å²	87	117.4 Å²	117.4	53%	0.527	60%	0.602	S	S	.	*	H	α-helix	trans	-60.6	-15.1	-179.8	-178.1	0	0	0	0	113	K7	V3-K7 WeakPolarHBondContact O-CG 3.15Å; V3-K7 PolarHBondContact O-N 3.34Å
4	E	58.1	Low	60.7	Low	150 Å²	150	119.1 Å²	119.1	70%	0.701	60%	0.599	S	S	*	*	H	α-helix	trans	-67.9	-33.7	174.4	-61.3	175.9	150.3	0	0	112.3	P2 K7 T8	P2-E4 PolarHBondContact O-N 3.4Å; E4-K7 PolarHBondContact O-N 3Å; E4-T8 PolarHBondContact O-N 2.8Å; E4-T8 PolarHBondContact O-OG1 2.89Å
5	M	55.7	Low	60	Low	121 Å²	121	115.6 Å²	115.6	60%	0.596	58%	0.582	S	S	*	*	H	α-helix	trans	-72.3	-36	179.9	-166.9	173.2	-173.4	0	0	111.9	P2 K7 T8 V9	P2-M5 PolarHBondContact O-N 3.01Å; M5-K7 VanDerWaalsContact C-N 3.33Å; M5-T8 WeakPolarHBondContact CA-OG1 3.4Å; M5-T8 PolarHBondContact O-N 3.21Å; M5-T8 PolarHBondContact O-OG1 3.14Å; M5-V9 WeakPolarHBondContact O-CG2 3.32Å; M5-V9 PolarHBondContact O-N 3.22Å
6	E	61.3	Low	59.3	Low	128 Å²	128	118.3 Å²	118.3	60%	0.598	59%	0.589	S	S	*	*	H	α-helix	trans	-63.7	-41	171.8	-65.9	177.2	139.3	0	0	110.8	T8 V9 T10	E6-T8 VanDerWaalsContact C-N 3.35Å; E6-T8 PolarHBondContact O-N 3.48Å; E6-V9 PolarHBondContact O-N 2.94Å; E6-T10 WeakPolarHBondContact O-CB 3.32Å; E6-T10 PolarHBondContact O-N 3.24Å; E6-T10 PolarHBondContact O-OG1 3.28Å
7	K	64.4	Low	58.9	Low	144 Å²	144	119.8 Å²	119.8	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-64.2	-36.6	176.4	-71.5	170.5	-179.2	173.1	0	112.6	V3 E4 M5 K11	V3-K7 WeakPolarHBondContact O-CG 3.15Å; V3-K7 PolarHBondContact O-N 3.34Å; E4-K7 PolarHBondContact O-N 3Å; M5-K7 VanDerWaalsContact C-N 3.33Å; K7-K11 WeakPolarHBondContact O-CB 3.43Å; K7-K11 PolarHBondContact O-N 3.41Å
8	T	65.8	Low	58.2	Low	78 Å²	78	123.3 Å²	123.3	48%	0.479	60%	0.599	S	S	.	*	H	α-helix	trans	-73.1	-37.3	174.2	51.6	0	0	0	0	112.7	E4 M5 E6 K11 L12	E4-T8 PolarHBondContact O-N 2.8Å; E4-T8 PolarHBondContact O-OG1 2.89Å; M5-T8 WeakPolarHBondContact CA-OG1 3.4Å; M5-T8 PolarHBondContact O-N 3.21Å; M5-T8 PolarHBondContact O-OG1 3.14Å; E6-T8 VanDerWaalsContact C-N 3.35Å; E6-T8 PolarHBondContact O-N 3.48Å; T8-K11 PolarHBondContact O-N 3.02Å; T8-L12 WeakPolarHBondContact O-CB 3.36Å; T8-L12 VanDerWaalsContact O-CG 3.27Å; T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 2.73Å
9	V	68.3	Low	57.6	Low	72 Å²	72	124.3 Å²	124.3	44%	0.436	61%	0.608	S	S	.	*	H	α-helix	trans	-66.6	-49	174.6	172	0	0	0	0	111.3	M5 E6 K11 L12 M13	M5-V9 WeakPolarHBondContact O-CG2 3.32Å; M5-V9 PolarHBondContact O-N 3.22Å; E6-V9 PolarHBondContact O-N 2.94Å; V9-K11 VanDerWaalsContact C-N 3.29Å; V9-K11 PolarHBondContact O-N 2.73Å; V9-L12 PolarHBondContact O-N 3.5Å; V9-M13 HydrophobicContact CG1-SD 4.17Å; V9-M13 WeakPolarHBondContact O-CG 3.46Å; V9-M13 PolarHBondContact O-N 2.64Å
10	T	65.3	Low	57.2	Low	86 Å²	86	121.8 Å²	121.8	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-61	-39	176.1	-57.1	0	0	0	0	111.3	E6 M13 Y14	E6-T10 WeakPolarHBondContact O-CB 3.32Å; E6-T10 PolarHBondContact O-N 3.24Å; E6-T10 PolarHBondContact O-OG1 3.28Å; T10-M13 PolarHBondContact O-N 3.45Å; T10-Y14 WeakPolarHBondContact O-CB 3.42Å; T10-Y14 PolarHBondContact O-N 3.13Å
11	K	66.9	Low	56.7	Low	132 Å²	132	121 Å²	121	57%	0.574	61%	0.606	S	S	*	*	H	α-helix	trans	-63.4	-48.1	173.2	-176.3	-177.3	174.2	-168.3	0	111.6	K7 T8 V9 M13 Y14 D15	K7-K11 WeakPolarHBondContact O-CB 3.43Å; K7-K11 PolarHBondContact O-N 3.41Å; T8-K11 PolarHBondContact O-N 3.02Å; V9-K11 VanDerWaalsContact C-N 3.29Å; V9-K11 PolarHBondContact O-N 2.73Å; K11-M13 VanDerWaalsContact C-N 3.27Å; K11-M13 PolarHBondContact O-N 3.42Å; K11-Y14 PolarHBondContact O-N 3.14Å; K11-Y14 VanDerWaalsContact O-N 3.09Å; K11-D15 WeakPolarHBondContact CE-OD2 3.35Å; K11-D15 WeakPolarHBondContact CG-OD2 3.44Å; K11-D15 WeakPolarHBondContact O-CB 3.31Å; K11-D15 PolarHBondContact O-N 2.89Å
12	L	61.9	Low	56.5	Low	113 Å²	113	115.9 Å²	115.9	59%	0.592	59%	0.591	S	S	*	*	H	α-helix	trans	-60.3	-37.6	178.2	-77	167.5	0	0	0	111.8	T8 V9 F16	T8-L12 WeakPolarHBondContact O-CB 3.36Å; T8-L12 VanDerWaalsContact O-CG 3.27Å; T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 2.73Å; V9-L12 PolarHBondContact O-N 3.5Å; L12-F16 WeakPolarHBondContact O-CB 3.39Å; L12-F16 PolarHBondContact O-N 3.41Å
13	M	55.9	Low	55.8	Low	119 Å²	119	118.9 Å²	118.9	59%	0.586	60%	0.603	S	S	*	*	H	α-helix	trans	-65.9	-42.4	172.2	-69	178.2	71.7	0	0	112.1	V9 T10 K11 F16 Q17	V9-M13 HydrophobicContact CG1-SD 4.17Å; V9-M13 WeakPolarHBondContact O-CG 3.46Å; V9-M13 PolarHBondContact O-N 2.64Å; T10-M13 PolarHBondContact O-N 3.45Å; K11-M13 VanDerWaalsContact C-N 3.27Å; K11-M13 PolarHBondContact O-N 3.42Å; M13-F16 PolarHBondContact O-N 2.83Å; M13-Q17 VanDerWaalsContact O-CB 3.24Å; M13-Q17 WeakPolarHBondContact O-CB 3.49Å; M13-Q17 PolarHBondContact O-N 3.17Å
14	Y	53.9	Low	55.4	Low	142 Å²	142	122.6 Å²	122.6	56%	0.557	62%	0.62	S	S	*	*	H	α-helix	trans	-68.5	-32.8	178.1	-134.8	-82.2	0	0	0	113.2	T10 K11 R18	T10-Y14 WeakPolarHBondContact O-CB 3.42Å; T10-Y14 PolarHBondContact O-N 3.13Å; K11-Y14 PolarHBondContact O-N 3.14Å; K11-Y14 VanDerWaalsContact O-N 3.09Å; Y14-R18 WeakPolarHBondContact O-CB 3.25Å; Y14-R18 PolarHBondContact O-N 2.79Å; Y14-R18 VanDerWaalsContact O-N 3.14Å
15	D	50.7	Low	54.9	Low	66 Å²	66	122.8 Å²	122.8	35%	0.353	63%	0.626	S	S	.	*	H	α-helix	trans	-74.9	-42.8	175	-69.4	-18.8	0	0	0	110	K11 Q17 R18 N19	K11-D15 WeakPolarHBondContact CE-OD2 3.35Å; K11-D15 WeakPolarHBondContact CG-OD2 3.44Å; K11-D15 WeakPolarHBondContact O-CB 3.31Å; K11-D15 PolarHBondContact O-N 2.89Å; D15-Q17 VanDerWaalsContact C-N 3.31Å; D15-Q17 PolarHBondContact O-N 2.82Å; D15-R18 CarbonylContact O-C 3.57Å; D15-R18 PolarHBondContact O-N 3.37Å; D15-R18 VanDerWaalsContact O-N 3.09Å; D15-N19 WeakPolarHBondContact O-CB 3.4Å; D15-N19 PolarHBondContact O-N 3.47Å; D15-N19 PolarHBondContact O-OD1 3.45Å
16	F	48.5	Very low	54.7	Low	159 Å²	159	121.6 Å²	121.6	70%	0.697	63%	0.629	S	S	*	*	H	α-helix	trans	-55.9	-47	169.9	-125.7	-91.9	0	0	0	111.2	L12 M13 R18 N19 S20	L12-F16 WeakPolarHBondContact O-CB 3.39Å; L12-F16 PolarHBondContact O-N 3.41Å; M13-F16 PolarHBondContact O-N 2.83Å; F16-R18 PolarHBondContact O-N 3.03Å; F16-N19 PolarHBondContact O-N 2.88Å; F16-S20 PolarHBondContact O-N 2.89Å; F16-S20 PolarHBondContact O-OG 2.91Å
17	Q	52.3	Low	54.1	Low	143 Å²	143	117.3 Å²	117.3	67%	0.668	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	0.2	-179.1	-157.6	157	19.6	0	0	113.7	M13 D15	M13-Q17 VanDerWaalsContact O-CB 3.24Å; M13-Q17 WeakPolarHBondContact O-CB 3.49Å; M13-Q17 PolarHBondContact O-N 3.17Å; D15-Q17 VanDerWaalsContact C-N 3.31Å; D15-Q17 PolarHBondContact O-N 2.82Å
18	R	45.6	Very low	53.8	Low	183 Å²	183	114 Å²	114	69%	0.691	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-11.7	164.6	-83.8	-175	160.8	143.9	0.1	114.1	Y14 D15 F16	Y14-R18 WeakPolarHBondContact O-CB 3.25Å; Y14-R18 PolarHBondContact O-N 2.79Å; Y14-R18 VanDerWaalsContact O-N 3.14Å; D15-R18 CarbonylContact O-C 3.57Å; D15-R18 PolarHBondContact O-N 3.37Å; D15-R18 VanDerWaalsContact O-N 3.09Å; F16-R18 PolarHBondContact O-N 3.03Å
19	N	47.8	Very low	53.4	Low	142 Å²	142	110.9 Å²	110.9	76%	0.759	60%	0.596	S	S	*	*	S	Bend	trans	-104.7	11.6	177.1	-90.7	102.4	0	0	0	113.4	D15 F16	D15-N19 WeakPolarHBondContact O-CB 3.4Å; D15-N19 PolarHBondContact O-N 3.47Å; D15-N19 PolarHBondContact O-OD1 3.45Å; F16-N19 PolarHBondContact O-N 2.88Å
20	S	49.6	Very low	53	Low	75 Å²	75	113.6 Å²	113.6	52%	0.524	61%	0.607	S	S	.	*	S	Bend	trans	-141.6	19.3	-174.4	-56.7	0	0	0	0	115.7	F16	F16-S20 PolarHBondContact O-N 2.89Å; F16-S20 PolarHBondContact O-OG 2.91Å
21	T	47	Very low	53.2	Low	106 Å²	106	116.3 Å²	116.3	65%	0.65	61%	0.614	S	S	*	*			trans	-140.6	53.8	171.6	64.9	0	0	0	0	112.5	D23	T21-D23 VanDerWaalsContact C-N 3.32Å
22	S	47.2	Very low	53.8	Low	109 Å²	109	113.9 Å²	113.9	76%	0.762	61%	0.605	S	S	*	*			trans	-101	61.3	151.7	59.8	0	0	0	0	108	D24	S22-D24 PolarHBondContact O-N 2.95Å
23	D	47.7	Very low	55.1	Low	141 Å²	141	108.7 Å²	108.7	75%	0.754	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	11.2	-175.3	-133.4	11.8	0	0	0	112.4	T21 D25 S26	T21-D23 VanDerWaalsContact C-N 3.32Å; D23-D25 VanDerWaalsContact C-N 3.34Å; D23-S26 PolarHBondContact O-OG 3.23Å
24	D	50.2	Low	56.7	Low	165 Å²	165	104.5 Å²	104.5	88%	0.882	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-3.1	177.2	-97.4	-20.9	0	0	0	113	S22 S26	S22-D24 PolarHBondContact O-N 2.95Å; D24-S26 PolarHBondContact O-N 2.88Å; D24-S26 VanDerWaalsContact O-N 3.09Å
25	D	47.1	Very low	58.5	Low	155 Å²	155	99.3 Å²	99.3	83%	0.829	54%	0.541	S	S	*	.			trans	-80.8	29.7	169.3	-151.6	17.2	0	0	0	111.7	D23 G27	D23-D25 VanDerWaalsContact C-N 3.34Å; D25-G27 PolarHBondContact O-N 2.81Å
26	S	51.7	Low	60.4	Low	95 Å²	95	97.3 Å²	97.3	66%	0.664	53%	0.531	S	S	*	.			trans	-73.9	43	163.3	-67	0	0	0	0	110.7	D23 D24 C28	D23-S26 PolarHBondContact O-OG 3.23Å; D24-S26 PolarHBondContact O-N 2.88Å; D24-S26 VanDerWaalsContact O-N 3.09Å; S26-C28 PolarHBondContact O-N 3.03Å; S26-C28 VanDerWaalsContact O-N 3.09Å
27	G	49.1	Very low	62.4	Low	39 Å²	39	89.9 Å²	89.9	40%	0.402	50%	0.499	S	S	.	.			trans	-54.8	116.4	176	0	0	0	0	0	108.9	D25 A29	D25-G27 PolarHBondContact O-N 2.81Å; G27-A29 PolarHBondContact O-N 3.45Å; G27-A29 VanDerWaalsContact O-N 3.17Å
28	C	56.6	Low	64.1	Low	73 Å²	73	85.7 Å²	85.7	49%	0.493	48%	0.484	S	S	.	.			trans	-68.4	121.7	-179.3	-79.9	0	0	0	0	107.1	S26 L30 E31	S26-C28 PolarHBondContact O-N 3.03Å; S26-C28 VanDerWaalsContact O-N 3.09Å; C28-L30 PolarHBondContact O-N 3.02Å; C28-E31 HydrophobicContact CB-CG 3.88Å; C28-E31 PolarHBondContact N-OE2 3.09Å; C28-E31 VanDerWaalsContact O-CB 3.32Å; C28-E31 WeakPolarHBondContact O-CB 3.38Å; C28-E31 PolarHBondContact O-N 3.38Å
29	A	58.8	Low	66	Low	13 Å²	13	80.5 Å²	80.5	11%	0.107	49%	0.487	C	S	.	.	H	α-helix	trans	-56.4	-20.5	178.4	0	0	0	0	0	112.7	G27 E31 E32 Y33 V36 V45	G27-A29 PolarHBondContact O-N 3.45Å; G27-A29 VanDerWaalsContact O-N 3.17Å; A29-E31 VanDerWaalsContact C-N 3.26Å; A29-E31 PolarHBondContact O-N 3.32Å; A29-E32 PolarHBondContact O-N 2.95Å; A29-Y33 HydrophobicContact CB-CD2 4.41Å; A29-Y33 VanDerWaalsContact O-CD2 3.28Å; A29-Y33 WeakPolarHBondContact O-CD2 3.23Å; A29-Y33 PolarHBondContact O-N 3.03Å; A29-V36 HydrophobicContact CB-CG2 4.23Å; A29-V45 HydrophobicContact CB-CB 4.29Å; A29-V45 HydrophobicContact CB-CG1 4.24Å; A29-V45 HydrophobicContact CB-CG2 4.13Å
30	L	59.3	Low	67.9	Low	129 Å²	129	75 Å²	75	68%	0.675	46%	0.458	S	S	*	.	H	α-helix	trans	-72	-10.6	172.6	-58.5	174.6	0	0	0	114.7	C28 V36	C28-L30 PolarHBondContact O-N 3.02Å; L30-V36 HydrophobicContact CD2-CB 4.06Å; L30-V36 HydrophobicContact CD2-CG2 3.88Å
31	E	68.6	Low	69.7	Low	143 Å²	143	77.6 Å²	77.6	67%	0.668	46%	0.46	S	S	*	.	H	α-helix	trans	-88.7	-29	173.4	-62.5	174.5	141.1	0	0	111.6	C28 A29	C28-E31 HydrophobicContact CB-CG 3.88Å; C28-E31 PolarHBondContact N-OE2 3.09Å; C28-E31 VanDerWaalsContact O-CB 3.32Å; C28-E31 WeakPolarHBondContact O-CB 3.38Å; C28-E31 PolarHBondContact O-N 3.38Å; A29-E31 VanDerWaalsContact C-N 3.26Å; A29-E31 PolarHBondContact O-N 3.32Å
32	E	81	Confident	71.6	Confident	82 Å²	82	75.7 Å²	75.7	38%	0.383	45%	0.449	S	S	.	.	H	α-helix	trans	-89.2	-41.6	175.8	-176.5	176	-137.4	0	0	112.5	A29 H46 Y59 V60	A29-E32 PolarHBondContact O-N 2.95Å; E32-H46 IonicContact OE2-CE1 2.76Å; E32-H46 PolarHBondContact OE2-CE1 2.82Å; E32-H46 IonicContact OE2-ND1 3.83Å; E32-Y59 HydrophobicContact CG-CD1 3.7Å; E32-Y59 HydrophobicContact CG-CE1 3.8Å; E32-Y59 WeakPolarHBondContact O-CA 3.49Å; E32-V60 PolarHBondContact O-N 3.44Å
33	Y	87.5	Confident	73.3	Confident	3 Å²	3	76.8 Å²	76.8	1%	0.012	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-110.5	130.4	-177	-51.6	-83.3	0	0	0	112.4	A29 W35 V36 V45 H46 Y49 V57 P58 Y59	A29-Y33 HydrophobicContact CB-CD2 4.41Å; A29-Y33 VanDerWaalsContact O-CD2 3.28Å; A29-Y33 WeakPolarHBondContact O-CD2 3.23Å; A29-Y33 PolarHBondContact O-N 3.03Å; Y33-W35 VanDerWaalsContact CB-O 3.25Å; Y33-W35 WeakPolarHBondContact CB-O 3.44Å; Y33-W35 PolarHBondContact O-N 3.14Å; Y33-V36 HydrophobicContact CD2-CG2 4.35Å; Y33-V45 HydrophobicContact CD2-CG1 3.89Å; Y33-V45 HydrophobicContact CE2-CG1 3.97Å; Y33-H46 PolarHBondContact OH-ND1 2.75Å; Y33-Y49 AromaticContact CD1-CD2 3.6Å; Y33-Y49 HydrophobicContact CD1-CD2 3.6Å; Y33-Y49 AromaticContact CD1-CE2 3.59Å; Y33-Y49 HydrophobicContact CD1-CE2 3.59Å; Y33-Y49 HydrophobicContact CD1-CG 4.33Å; Y33-Y49 HydrophobicContact CD2-CD2 4.27Å; Y33-Y49 HydrophobicContact CD2-CE2 4.16Å; Y33-Y49 AromaticContact CE1-CD2 3.48Å; Y33-Y49 HydrophobicContact CE1-CD2 3.48Å; Y33-Y49 VanDerWaalsContact CE1-CD2 3.48Å; Y33-Y49 AromaticContact CE1-CE2 4Å; Y33-Y49 HydrophobicContact CE1-CE2 4Å; Y33-Y49 HydrophobicContact CE1-CG 4.03Å; Y33-Y49 HydrophobicContact CE2-CD2 4.22Å; Y33-Y49 HydrophobicContact CG-CD2 4.04Å; Y33-Y49 AromaticContact CG-CE2 3.72Å; Y33-Y49 HydrophobicContact CG-CE2 3.72Å; Y33-Y49 AromaticContact CZ-CD2 3.87Å; Y33-V57 HydrophobicContact CD1-CG1 3.91Å; Y33-V57 HydrophobicContact CE1-CG1 3.6Å; Y33-P58 CarbonylContact C-O 3.52Å; Y33-P58 WeakPolarHBondContact CA-O 3.48Å; Y33-Y59 AromaticContact CD1-CD1 3.98Å; Y33-Y59 HydrophobicContact CD1-CD1 3.98Å; Y33-Y59 HydrophobicContact CD1-CE1 4.07Å; Y33-Y59 AromaticContact CE1-CD1 3.65Å; Y33-Y59 HydrophobicContact CE1-CD1 3.65Å; Y33-Y59 AromaticContact CE1-CE1 3.26Å; Y33-Y59 HydrophobicContact CE1-CE1 3.26Å; Y33-Y59 HydrophobicContact CE1-CE2 4.48Å; Y33-Y59 HydrophobicContact CE1-CG 4.38Å; Y33-Y59 AromaticContact CE1-CZ 3.72Å; Y33-Y59 AromaticContact CZ-CE1 3.65Å; Y33-Y59 WeakPolarHBondContact OH-CE1 3.48Å
34	A	89.6	Confident	75.4	Confident	31 Å²	31	72.3 Å²	72.3	26%	0.256	42%	0.417	S	S	.	.	S	Bend	trans	-67.2	-3.8	174.8	0	0	0	0	0	114.1	P58 V60 E65 R68	A34-P58 PolarHBondContact N-O 2.8Å; A34-V60 HydrophobicContact CB-CG2 4.18Å; A34-E65 HydrophobicContact CB-CB 4.31Å; A34-E65 HydrophobicContact CB-CG 3.82Å; A34-E65 VanDerWaalsContact CB-OE1 3.31Å; A34-E65 WeakPolarHBondContact CB-OE1 3.25Å; A34-R68 PolarHBondContact O-NH1 3.08Å
35	W	92.3	Very high	77.3	Confident	34 Å²	34	64.5 Å²	64.5	13%	0.129	38%	0.375	C	S	.	.			trans	-163.2	153.4	168.2	-179.6	88.7	0	0	0	109.7	Y33 P37 Y49 D167 L168	Y33-W35 VanDerWaalsContact CB-O 3.25Å; Y33-W35 WeakPolarHBondContact CB-O 3.44Å; Y33-W35 PolarHBondContact O-N 3.14Å; W35-P37 HydrophobicContact CH2-CB 4.06Å; W35-P37 HydrophobicContact CH2-CG 3.87Å; W35-P37 HydrophobicContact CZ3-CB 4.38Å; W35-P37 HydrophobicContact CZ3-CG 3.7Å; W35-Y49 VanDerWaalsContact CE3-OH 3.3Å; W35-Y49 PolarHBondContact O-OH 2.83Å; W35-D167 VanDerWaalsContact CZ2-CA 3.43Å; W35-D167 HydrophobicContact CZ2-CB 3.81Å; W35-D167 WeakPolarHBondContact CZ2-O 3.44Å; W35-D167 VanDerWaalsContact NE1-CG 3.32Å; W35-D167 PolarHBondContact NE1-OD2 2.72Å; W35-D167 VanDerWaalsContact NE1-OD2 3.15Å; W35-L168 HydrophobicContact CH2-CD1 3.91Å; W35-L168 HydrophobicContact CH2-CG 3.96Å
36	V	91.9	Very high	79.3	Confident	24 Å²	24	61.6 Å²	61.6	15%	0.145	36%	0.356	C	S	.	.			trans	-141.6	140.9	179.6	172.9	0	0	0	0	109.2	A29 L30 Y33 V45	A29-V36 HydrophobicContact CB-CG2 4.23Å; L30-V36 HydrophobicContact CD2-CB 4.06Å; L30-V36 HydrophobicContact CD2-CG2 3.88Å; Y33-V36 HydrophobicContact CD2-CG2 4.35Å; V36-V45 HydrophobicContact CG1-CB 4.3Å; V36-V45 HydrophobicContact CG1-CG1 3.83Å; V36-V45 HydrophobicContact CG1-CG2 3.41Å; V36-V45 VanDerWaalsContact CG1-CG2 3.41Å; V36-V45 HydrophobicContact CG2-CG1 4.02Å
37	P	90.3	Very high	81.1	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.013	35%	0.345	C	S	.	.			trans	-61.2	130.5	172.9	-20.7	30.8	0	0	0	112.3	W35 L40 Y48 V114 L168	W35-P37 HydrophobicContact CH2-CB 4.06Å; W35-P37 HydrophobicContact CH2-CG 3.87Å; W35-P37 HydrophobicContact CZ3-CB 4.38Å; W35-P37 HydrophobicContact CZ3-CG 3.7Å; P37-L40 HydrophobicContact CB-CD1 3.9Å; P37-L40 HydrophobicContact CB-CG 4.34Å; P37-L40 HydrophobicContact CG-CD1 4.03Å; P37-Y48 HydrophobicContact CG-CD1 3.62Å; P37-Y48 HydrophobicContact CG-CD2 4.09Å; P37-Y48 HydrophobicContact CG-CE1 3.53Å; P37-Y48 HydrophobicContact CG-CE2 3.98Å; P37-Y48 HydrophobicContact CG-CG 3.91Å; P37-V114 HydrophobicContact CB-CB 4.13Å; P37-V114 HydrophobicContact CB-CG2 3.67Å; P37-V114 HydrophobicContact CG-CG2 4.33Å; P37-L168 HydrophobicContact CB-CD1 4.1Å
38	P	88.2	Confident	83.1	Confident	56 Å²	56	60.2 Å²	60.2	36%	0.364	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	139.7	-177.9	30.3	-36.7	0	0	0	111.7
39	G	84.1	Confident	84.9	Confident	74 Å²	74	57.1 Å²	57.1	76%	0.763	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-1.4	176.6	0	0	0	0	0	115.5
40	L	88.4	Confident	86.4	Confident	25 Å²	25	60.9 Å²	60.9	13%	0.131	33%	0.332	C	S	.	.			trans	-87.8	147.1	171.4	-62.9	-174.9	0	0	0	111.9	P37 Q44 V45 Y48 V114	P37-L40 HydrophobicContact CB-CD1 3.9Å; P37-L40 HydrophobicContact CB-CG 4.34Å; P37-L40 HydrophobicContact CG-CD1 4.03Å; L40-Q44 HydrophobicContact CB-CB 4.15Å; L40-Q44 HydrophobicContact CD2-CB 4.18Å; L40-V45 HydrophobicContact CB-CG2 4.06Å; L40-Y48 HydrophobicContact CD1-CG 4.32Å; L40-V114 HydrophobicContact CD1-CB 4.3Å; L40-V114 HydrophobicContact CD1-CG1 4.03Å; L40-V114 HydrophobicContact CD2-CB 4.18Å; L40-V114 HydrophobicContact CD2-CG1 4.03Å; L40-V114 HydrophobicContact CG-CB 4.31Å; L40-V114 HydrophobicContact CG-CG1 4.39Å
41	K	87.9	Confident	87.8	Confident	131 Å²	131	57 Å²	57	57%	0.57	32%	0.316	S	S	*	.			trans	-79.4	156.8	164.3	-58.8	-173.7	172.4	-167.6	0	111.1	E43 Q44 V45	K41-E43 VanDerWaalsContact C-N 3.29Å; K41-E43 WeakPolarHBondContact CB-OE2 3.44Å; K41-E43 PolarHBondContact O-N 3.33Å; K41-E43 VanDerWaalsContact O-N 3.16Å; K41-Q44 HydrophobicContact CB-CG 4.24Å; K41-Q44 WeakPolarHBondContact O-CA 3.29Å; K41-Q44 VanDerWaalsContact O-CB 3.31Å; K41-Q44 WeakPolarHBondContact O-CB 3.34Å; K41-Q44 PolarHBondContact O-N 2.94Å; K41-V45 WeakPolarHBondContact O-CG2 3.3Å; K41-V45 PolarHBondContact O-N 3.02Å; K41-V45 VanDerWaalsContact O-N 3.12Å
42	P	85.4	Confident	88.9	Confident	66 Å²	66	51.2 Å²	51.2	43%	0.429	29%	0.289	S	S	.	.	H	α-helix	trans	-50.4	-43	-176.6	-28.7	36.4	0	0	0	114.6	Q44 V45 H46	P42-Q44 PolarHBondContact O-N 3.23Å; P42-V45 VanDerWaalsContact O-CB 3.32Å; P42-V45 WeakPolarHBondContact O-CB 3.3Å; P42-V45 PolarHBondContact O-N 3.07Å; P42-H46 PolarHBondContact O-CD2 2.84Å; P42-H46 VanDerWaalsContact O-CD2 3.29Å; P42-H46 PolarHBondContact O-N 3.24Å
43	E	84.4	Confident	89.4	Confident	131 Å²	131	50.1 Å²	50.1	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-66.2	-30.1	-179.8	-35.8	83.3	166.3	0	0	111.8	K41 H47	K41-E43 VanDerWaalsContact C-N 3.29Å; K41-E43 WeakPolarHBondContact CB-OE2 3.44Å; K41-E43 PolarHBondContact O-N 3.33Å; K41-E43 VanDerWaalsContact O-N 3.16Å; E43-H47 PolarHBondContact O-N 3.12Å
44	Q	90.4	Very high	89.6	Confident	47 Å²	47	56.5 Å²	56.5	22%	0.22	32%	0.319	C	S	.	.	H	α-helix	trans	-78.5	-22.3	176	-57.6	172.8	-23.6	0	0	112.3	L40 K41 P42 H47 Y48 I138	L40-Q44 HydrophobicContact CB-CB 4.15Å; L40-Q44 HydrophobicContact CD2-CB 4.18Å; K41-Q44 HydrophobicContact CB-CG 4.24Å; K41-Q44 WeakPolarHBondContact O-CA 3.29Å; K41-Q44 VanDerWaalsContact O-CB 3.31Å; K41-Q44 WeakPolarHBondContact O-CB 3.34Å; K41-Q44 PolarHBondContact O-N 2.94Å; P42-Q44 PolarHBondContact O-N 3.23Å; Q44-H47 PolarHBondContact O-N 3.5Å; Q44-Y48 PolarHBondContact O-N 2.8Å; Q44-I138 HydrophobicContact CB-CD1 4.21Å
45	V	90.4	Very high	89.7	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-67.1	-45	174.6	-178.4	0	0	0	0	110.3	A29 Y33 V36 L40 K41 P42 H47 Y48 Y49	A29-V45 HydrophobicContact CB-CB 4.29Å; A29-V45 HydrophobicContact CB-CG1 4.24Å; A29-V45 HydrophobicContact CB-CG2 4.13Å; Y33-V45 HydrophobicContact CD2-CG1 3.89Å; Y33-V45 HydrophobicContact CE2-CG1 3.97Å; V36-V45 HydrophobicContact CG1-CB 4.3Å; V36-V45 HydrophobicContact CG1-CG1 3.83Å; V36-V45 HydrophobicContact CG1-CG2 3.41Å; V36-V45 VanDerWaalsContact CG1-CG2 3.41Å; V36-V45 HydrophobicContact CG2-CG1 4.02Å; L40-V45 HydrophobicContact CB-CG2 4.06Å; K41-V45 WeakPolarHBondContact O-CG2 3.3Å; K41-V45 PolarHBondContact O-N 3.02Å; K41-V45 VanDerWaalsContact O-N 3.12Å; P42-V45 VanDerWaalsContact O-CB 3.32Å; P42-V45 WeakPolarHBondContact O-CB 3.3Å; P42-V45 PolarHBondContact O-N 3.07Å; V45-H47 VanDerWaalsContact C-N 3.32Å; V45-H47 PolarHBondContact O-N 2.92Å; V45-Y48 WeakPolarHBondContact O-CB 3.23Å; V45-Y48 PolarHBondContact O-N 3.27Å; V45-Y49 HydrophobicContact CG1-CD2 3.66Å; V45-Y49 HydrophobicContact CG1-CE2 3.58Å; V45-Y49 WeakPolarHBondContact O-CD2 3.32Å; V45-Y49 PolarHBondContact O-N 3.29Å
46	H	88.4	Confident	89.7	Confident	93 Å²	93	60.1 Å²	60.1	43%	0.431	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-39.4	173.7	-62.3	-81.3	0	0	0	112.1	E32 Y33 P42 Y49 S50	E32-H46 IonicContact OE2-CE1 2.76Å; E32-H46 PolarHBondContact OE2-CE1 2.82Å; E32-H46 IonicContact OE2-ND1 3.83Å; Y33-H46 PolarHBondContact OH-ND1 2.75Å; P42-H46 PolarHBondContact O-CD2 2.84Å; P42-H46 VanDerWaalsContact O-CD2 3.29Å; P42-H46 PolarHBondContact O-N 3.24Å; H46-Y49 PolarHBondContact O-N 2.86Å; H46-S50 WeakPolarHBondContact O-CB 3.45Å; H46-S50 PolarHBondContact O-N 2.97Å; H46-S50 PolarHBondContact O-OG 3.47Å
47	H	89.9	Confident	89.8	Confident	91 Å²	91	59 Å²	59	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-32.3	176.1	-168.9	-173.4	0	0	0	112.5	E43 Q44 V45 S50 I138	E43-H47 PolarHBondContact O-N 3.12Å; Q44-H47 PolarHBondContact O-N 3.5Å; V45-H47 VanDerWaalsContact C-N 3.32Å; V45-H47 PolarHBondContact O-N 2.92Å; H47-S50 PolarHBondContact O-OG 2.79Å; H47-I138 HydrophobicContact CB-CG1 4.03Å
48	Y	92.4	Very high	90	Very high	15 Å²	15	59.2 Å²	59.2	6%	0.059	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-50.2	169.3	175.2	-93.6	0	0	0	111	P37 L40 Q44 V45 S51 L52 V114 I138 V140 P153	P37-Y48 HydrophobicContact CG-CD1 3.62Å; P37-Y48 HydrophobicContact CG-CD2 4.09Å; P37-Y48 HydrophobicContact CG-CE1 3.53Å; P37-Y48 HydrophobicContact CG-CE2 3.98Å; P37-Y48 HydrophobicContact CG-CG 3.91Å; L40-Y48 HydrophobicContact CD1-CG 4.32Å; Q44-Y48 PolarHBondContact O-N 2.8Å; V45-Y48 WeakPolarHBondContact O-CB 3.23Å; V45-Y48 PolarHBondContact O-N 3.27Å; Y48-S51 PolarHBondContact O-N 3.07Å; Y48-S51 PolarHBondContact O-OG 2.75Å; Y48-L52 HydrophobicContact CE1-CD1 3.84Å; Y48-V114 HydrophobicContact CD2-CG1 3.75Å; Y48-V114 HydrophobicContact CD2-CG2 4.43Å; Y48-V114 HydrophobicContact CE2-CG1 4.13Å; Y48-V114 HydrophobicContact CE2-CG2 4.06Å; Y48-I138 HydrophobicContact CD2-CG2 3.98Å; Y48-V140 HydrophobicContact CE2-CG2 4.43Å; Y48-P153 HydrophobicContact CD2-CB 3.89Å; Y48-P153 HydrophobicContact CD2-CG 3.72Å; Y48-P153 HydrophobicContact CE2-CB 3.58Å; Y48-P153 HydrophobicContact CE2-CG 3.84Å
49	Y	93.1	Very high	90.2	Very high	7 Å²	7	59.6 Å²	59.6	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-73.1	-31.6	-175.3	-76.2	-55.1	0	0	0	114.7	Y33 W35 V45 H46 S51 L52 V57 P58	Y33-Y49 AromaticContact CD1-CD2 3.6Å; Y33-Y49 HydrophobicContact CD1-CD2 3.6Å; Y33-Y49 AromaticContact CD1-CE2 3.59Å; Y33-Y49 HydrophobicContact CD1-CE2 3.59Å; Y33-Y49 HydrophobicContact CD1-CG 4.33Å; Y33-Y49 HydrophobicContact CD2-CD2 4.27Å; Y33-Y49 HydrophobicContact CD2-CE2 4.16Å; Y33-Y49 AromaticContact CE1-CD2 3.48Å; Y33-Y49 HydrophobicContact CE1-CD2 3.48Å; Y33-Y49 VanDerWaalsContact CE1-CD2 3.48Å; Y33-Y49 AromaticContact CE1-CE2 4Å; Y33-Y49 HydrophobicContact CE1-CE2 4Å; Y33-Y49 HydrophobicContact CE1-CG 4.03Å; Y33-Y49 HydrophobicContact CE2-CD2 4.22Å; Y33-Y49 HydrophobicContact CG-CD2 4.04Å; Y33-Y49 AromaticContact CG-CE2 3.72Å; Y33-Y49 HydrophobicContact CG-CE2 3.72Å; Y33-Y49 AromaticContact CZ-CD2 3.87Å; W35-Y49 VanDerWaalsContact CE3-OH 3.3Å; W35-Y49 PolarHBondContact O-OH 2.83Å; V45-Y49 HydrophobicContact CG1-CD2 3.66Å; V45-Y49 HydrophobicContact CG1-CE2 3.58Å; V45-Y49 WeakPolarHBondContact O-CD2 3.32Å; V45-Y49 PolarHBondContact O-N 3.29Å; H46-Y49 PolarHBondContact O-N 2.86Å; Y49-S51 PolarHBondContact O-N 2.7Å; Y49-S51 VanDerWaalsContact O-N 3.12Å; Y49-L52 HydrophobicContact CD1-CD1 4.02Å; Y49-L52 HydrophobicContact CE1-CD1 4.25Å; Y49-L52 PolarHBondContact O-N 3.41Å; Y49-V57 HydrophobicContact CD1-CB 4.36Å; Y49-V57 HydrophobicContact CD1-CG1 3.76Å; Y49-V57 HydrophobicContact CD1-CG2 4.15Å; Y49-V57 HydrophobicContact CD2-CG1 4.41Å; Y49-V57 HydrophobicContact CE1-CG1 4.44Å; Y49-V57 HydrophobicContact CG-CG1 3.79Å; Y49-P58 HydrophobicContact CE1-CG 3.91Å; Y49-P58 WeakPolarHBondContact OH-CG 3.48Å
50	S	90.3	Very high	90.5	Very high	93 Å²	93	59.2 Å²	59.2	65%	0.65	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.2	174.6	67	0	0	0	0	114	H46 H47	H46-S50 WeakPolarHBondContact O-CB 3.45Å; H46-S50 PolarHBondContact O-N 2.97Å; H46-S50 PolarHBondContact O-OG 3.47Å; H47-S50 PolarHBondContact O-OG 2.79Å
51	S	89.2	Confident	90.6	Very high	48 Å²	48	64.2 Å²	64.2	34%	0.336	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.1	171	78	0	0	0	0	114	Y48 Y49 P153 A154	Y48-S51 PolarHBondContact O-N 3.07Å; Y48-S51 PolarHBondContact O-OG 2.75Å; Y49-S51 PolarHBondContact O-N 2.7Å; Y49-S51 VanDerWaalsContact O-N 3.12Å; S51-P153 WeakPolarHBondContact OG-CB 3.31Å; S51-P153 WeakPolarHBondContact OG-CG 3.29Å; S51-A154 WeakPolarHBondContact O-CB 3.35Å
52	L	92.1	Very high	90.9	Very high	21 Å²	21	59 Å²	59	11%	0.11	31%	0.313	C	S	.	.	S	Bend	trans	-107.6	159.1	179.2	-60.3	-173.4	0	0	0	111.7	Y48 Y49 V57 P153 A154 L164	Y48-L52 HydrophobicContact CE1-CD1 3.84Å; Y49-L52 HydrophobicContact CD1-CD1 4.02Å; Y49-L52 HydrophobicContact CE1-CD1 4.25Å; Y49-L52 PolarHBondContact O-N 3.41Å; L52-V57 HydrophobicContact CB-CG2 4.41Å; L52-P153 HydrophobicContact CD2-CB 3.92Å; L52-A154 HydrophobicContact CD2-CB 4.05Å; L52-L164 HydrophobicContact CD2-CD1 4.14Å; L52-L164 HydrophobicContact CD2-CD2 4.32Å
53	P	91.9	Very high	91.3	Very high	59 Å²	59	60.6 Å²	60.6	38%	0.383	32%	0.324	S	S	.	.			trans	-64.1	133.6	171.2	-21.2	34.3	0	0	0	112	D55 K56 V57	P53-D55 WeakPolarHBondContact CB-OD1 3.37Å; P53-D55 PolarHBondContact O-N 3.42Å; P53-D55 VanDerWaalsContact O-N 3.17Å; P53-K56 HydrophobicContact CB-CG 4.4Å; P53-K56 HydrophobicContact CG-CD 4.45Å; P53-K56 WeakPolarHBondContact O-CA 3.44Å; P53-K56 WeakPolarHBondContact O-CB 3.35Å; P53-K56 PolarHBondContact O-N 3.41Å; P53-V57 PolarHBondContact O-N 3.27Å
54	E	90.6	Very high	91.7	Very high	136 Å²	136	54.5 Å²	54.5	64%	0.636	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-50.1	-40.1	-179.5	-169.1	72.8	-174.6	0	0	113.1	K56 V57	E54-K56 PolarHBondContact O-N 3.42Å; E54-K56 VanDerWaalsContact O-N 3.14Å; E54-V57 PolarHBondContact O-N 2.91Å
55	D	92.1	Very high	91.9	Very high	97 Å²	97	54.3 Å²	54.3	52%	0.519	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-66.4	-12.9	178.4	64.2	-67.9	0	0	0	114	P53 G64	P53-D55 WeakPolarHBondContact CB-OD1 3.37Å; P53-D55 PolarHBondContact O-N 3.42Å; P53-D55 VanDerWaalsContact O-N 3.17Å; D55-G64 VanDerWaalsContact O-CA 3.3Å; D55-G64 WeakPolarHBondContact O-CA 3.48Å
56	K	92.9	Very high	92.2	Very high	44 Å²	44	60.7 Å²	60.7	19%	0.191	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-112.1	-3	179.5	-57.2	-169.6	172	-167.5	0	113.2	P53 E54 Y67 E163 L164	P53-K56 HydrophobicContact CB-CG 4.4Å; P53-K56 HydrophobicContact CG-CD 4.45Å; P53-K56 WeakPolarHBondContact O-CA 3.44Å; P53-K56 WeakPolarHBondContact O-CB 3.35Å; P53-K56 PolarHBondContact O-N 3.41Å; E54-K56 PolarHBondContact O-N 3.42Å; E54-K56 VanDerWaalsContact O-N 3.14Å; K56-Y67 HydrophobicContact CB-CD1 3.96Å; K56-Y67 HydrophobicContact CB-CE1 3.81Å; K56-Y67 HydrophobicContact CD-CE1 3.76Å; K56-Y67 HydrophobicContact CD-CE2 4.08Å; K56-Y67 WeakPolarHBondContact CD-OH 3.13Å; K56-Y67 WeakPolarHBondContact CE-OH 3.11Å; K56-Y67 HydrophobicContact CG-CD1 3.95Å; K56-Y67 HydrophobicContact CG-CD2 4.46Å; K56-Y67 HydrophobicContact CG-CE1 3.67Å; K56-Y67 HydrophobicContact CG-CE2 4.19Å; K56-Y67 HydrophobicContact CG-CG 4.35Å; K56-Y67 PolarHBondContact NZ-OH 2.94Å; K56-E163 IonicContact NZ-OE1 3.8Å; K56-E163 PolarHBondContact NZ-OE1 2.85Å; K56-E163 IonicContact NZ-OE2 3.97Å; K56-E163 PolarHBondContact NZ-OE2 2.68Å; K56-L164 HydrophobicContact CB-CD1 4.46Å; K56-L164 HydrophobicContact CD-CD1 4.05Å
57	V	94	Very high	92.5	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.31	C	S	.	.	S	Bend	trans	-76.9	122.8	175.6	179.4	0	0	0	0	109.7	Y33 Y49 L52 P53 E54 Y59 G64	Y33-V57 HydrophobicContact CD1-CG1 3.91Å; Y33-V57 HydrophobicContact CE1-CG1 3.6Å; Y49-V57 HydrophobicContact CD1-CB 4.36Å; Y49-V57 HydrophobicContact CD1-CG1 3.76Å; Y49-V57 HydrophobicContact CD1-CG2 4.15Å; Y49-V57 HydrophobicContact CD2-CG1 4.41Å; Y49-V57 HydrophobicContact CE1-CG1 4.44Å; Y49-V57 HydrophobicContact CG-CG1 3.79Å; L52-V57 HydrophobicContact CB-CG2 4.41Å; P53-V57 PolarHBondContact O-N 3.27Å; E54-V57 PolarHBondContact O-N 2.91Å; V57-Y59 HydrophobicContact CB-CD2 3.92Å; V57-Y59 HydrophobicContact CB-CE2 3.71Å; V57-Y59 HydrophobicContact CG1-CD2 3.58Å; V57-Y59 HydrophobicContact CG1-CE1 4.34Å; V57-Y59 HydrophobicContact CG1-CE2 3.28Å; V57-Y59 HydrophobicContact CG1-CG 4.22Å; V57-Y59 PolarHBondContact O-N 3.16Å; V57-G64 WeakPolarHBondContact O-CA 3.34Å
58	P	93.3	Very high	92.8	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.039	30%	0.298	C	S	.	.			trans	-82.8	54.2	-169.7	36.5	-37.3	0	0	0	112.9	Y33 A34 Y49 R68	Y33-P58 CarbonylContact C-O 3.52Å; Y33-P58 WeakPolarHBondContact CA-O 3.48Å; A34-P58 PolarHBondContact N-O 2.8Å; Y49-P58 HydrophobicContact CE1-CG 3.91Å; Y49-P58 WeakPolarHBondContact OH-CG 3.48Å; P58-R68 HydrophobicContact CB-CB 4.27Å
59	Y	92.8	Very high	92.9	Very high	64 Å²	64	59.1 Å²	59.1	25%	0.251	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-56.3	141.8	169.3	-68.9	-72	0	0	0	110.8	E32 Y33 V57 N61 S62 E65	E32-Y59 HydrophobicContact CG-CD1 3.7Å; E32-Y59 HydrophobicContact CG-CE1 3.8Å; E32-Y59 WeakPolarHBondContact O-CA 3.49Å; Y33-Y59 AromaticContact CD1-CD1 3.98Å; Y33-Y59 HydrophobicContact CD1-CD1 3.98Å; Y33-Y59 HydrophobicContact CD1-CE1 4.07Å; Y33-Y59 AromaticContact CE1-CD1 3.65Å; Y33-Y59 HydrophobicContact CE1-CD1 3.65Å; Y33-Y59 AromaticContact CE1-CE1 3.26Å; Y33-Y59 HydrophobicContact CE1-CE1 3.26Å; Y33-Y59 HydrophobicContact CE1-CE2 4.48Å; Y33-Y59 HydrophobicContact CE1-CG 4.38Å; Y33-Y59 AromaticContact CE1-CZ 3.72Å; Y33-Y59 AromaticContact CZ-CE1 3.65Å; Y33-Y59 WeakPolarHBondContact OH-CE1 3.48Å; V57-Y59 HydrophobicContact CB-CD2 3.92Å; V57-Y59 HydrophobicContact CB-CE2 3.71Å; V57-Y59 HydrophobicContact CG1-CD2 3.58Å; V57-Y59 HydrophobicContact CG1-CE1 4.34Å; V57-Y59 HydrophobicContact CG1-CE2 3.28Å; V57-Y59 HydrophobicContact CG1-CG 4.22Å; V57-Y59 PolarHBondContact O-N 3.16Å; Y59-N61 PolarHBondContact O-N 3.09Å; Y59-S62 PolarHBondContact N-OG 3Å; Y59-S62 WeakPolarHBondContact O-CB 3.38Å; Y59-S62 PolarHBondContact O-N 2.93Å; Y59-S62 VanDerWaalsContact O-N 3.1Å; Y59-S62 PolarHBondContact O-OG 3.23Å; Y59-E65 WeakPolarHBondContact O-CB 3.4Å
60	V	91.4	Very high	93.1	Very high	67 Å²	67	66 Å²	66	41%	0.406	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	133.3	-178.2	176.6	0	0	0	0	111.5	E32 A34 S62	E32-V60 PolarHBondContact O-N 3.44Å; A34-V60 HydrophobicContact CB-CG2 4.18Å; V60-S62 PolarHBondContact O-N 2.67Å
61	N	89.8	Confident	93.4	Very high	130 Å²	130	62.5 Å²	62.5	70%	0.695	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	2.6	-173.2	-66.1	-67.7	0	0	0	116.9	Y59 E65 K66	Y59-N61 PolarHBondContact O-N 3.09Å; N61-E65 VanDerWaalsContact CA-OE2 3.28Å; N61-E65 WeakPolarHBondContact CA-OE2 3.42Å; N61-E65 PolarHBondContact N-OE2 3.18Å; N61-K66 PolarHBondContact O-NZ 2.83Å
62	S	93.5	Very high	93.7	Very high	20 Å²	20	62 Å²	62	14%	0.14	31%	0.311	C	S	.	.	S	Bend	trans	-78.4	172.4	-171.8	76.4	0	0	0	0	114.9	Y59 V60 G64 E65 K66	Y59-S62 PolarHBondContact N-OG 3Å; Y59-S62 WeakPolarHBondContact O-CB 3.38Å; Y59-S62 PolarHBondContact O-N 2.93Å; Y59-S62 VanDerWaalsContact O-N 3.1Å; Y59-S62 PolarHBondContact O-OG 3.23Å; V60-S62 PolarHBondContact O-N 2.67Å; S62-G64 VanDerWaalsContact C-N 3.25Å; S62-G64 PolarHBondContact O-N 2.84Å; S62-G64 PolarHBondContact OG-N 3Å; S62-G64 VanDerWaalsContact OG-N 3.11Å; S62-E65 PolarHBondContact OG-N 3.44Å; S62-E65 VanDerWaalsContact OG-N 3.08Å; S62-K66 PolarHBondContact O-N 2.71Å
63	P	93.8	Very high	93.9	Very high	101 Å²	101	65.4 Å²	65.4	66%	0.656	33%	0.329	S	S	*	.	H	α-helix	trans	-58.8	-35	164.8	-23.4	35.6	0	0	0	113.1	K66 Y67	P63-K66 PolarHBondContact O-N 3.04Å; P63-Y67 WeakPolarHBondContact O-CB 3.5Å; P63-Y67 PolarHBondContact O-N 2.6Å
64	G	94.1	Very high	94.1	Very high	2 Å²	2	66.2 Å²	66.2	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-72.1	-31.3	-178.7	0	0	0	0	0	113.9	D55 V57 S62 Y67 R68	D55-G64 VanDerWaalsContact O-CA 3.3Å; D55-G64 WeakPolarHBondContact O-CA 3.48Å; V57-G64 WeakPolarHBondContact O-CA 3.34Å; S62-G64 VanDerWaalsContact C-N 3.25Å; S62-G64 PolarHBondContact O-N 2.84Å; S62-G64 PolarHBondContact OG-N 3Å; S62-G64 VanDerWaalsContact OG-N 3.11Å; G64-Y67 PolarHBondContact O-N 2.87Å; G64-R68 WeakPolarHBondContact O-CB 3.46Å; G64-R68 PolarHBondContact O-N 3.47Å
65	E	94.8	Very high	94.4	Very high	43 Å²	43	59.8 Å²	59.8	20%	0.201	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-46.2	168.3	176.7	179.8	-154.3	0	0	110.7	A34 Y59 N61 S62 Y67 R68 I69	A34-E65 HydrophobicContact CB-CB 4.31Å; A34-E65 HydrophobicContact CB-CG 3.82Å; A34-E65 VanDerWaalsContact CB-OE1 3.31Å; A34-E65 WeakPolarHBondContact CB-OE1 3.25Å; Y59-E65 WeakPolarHBondContact O-CB 3.4Å; N61-E65 VanDerWaalsContact CA-OE2 3.28Å; N61-E65 WeakPolarHBondContact CA-OE2 3.42Å; N61-E65 PolarHBondContact N-OE2 3.18Å; S62-E65 PolarHBondContact OG-N 3.44Å; S62-E65 VanDerWaalsContact OG-N 3.08Å; E65-Y67 VanDerWaalsContact C-N 3.28Å; E65-Y67 PolarHBondContact O-N 2.88Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 3.2Å; E65-R68 VanDerWaalsContact O-N 3.1Å; E65-I69 HydrophobicContact CG-CD1 3.88Å; E65-I69 HydrophobicContact CG-CG1 4.44Å; E65-I69 WeakPolarHBondContact O-CG1 3.35Å; E65-I69 PolarHBondContact O-N 3.24Å
66	K	95.1	Very high	94.5	Very high	137 Å²	137	57.4 Å²	57.4	60%	0.596	28%	0.284	S	S	*	.	H	α-helix	trans	-61.6	-38.4	176.8	-69.3	162.1	-175.2	155.6	0	111.4	N61 S62 P63 K70	N61-K66 PolarHBondContact O-NZ 2.83Å; S62-K66 PolarHBondContact O-N 2.71Å; P63-K66 PolarHBondContact O-N 3.04Å; K66-K70 WeakPolarHBondContact O-CB 3.23Å; K66-K70 PolarHBondContact O-N 3.35Å
67	Y	96.1	Very high	94.7	Very high	44 Å²	44	55.5 Å²	55.5	17%	0.173	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-49.2	170.3	170.7	-90.9	0	0	0	111.6	K56 P63 G64 E65 I69 K70 Q71 E163	K56-Y67 HydrophobicContact CB-CD1 3.96Å; K56-Y67 HydrophobicContact CB-CE1 3.81Å; K56-Y67 HydrophobicContact CD-CE1 3.76Å; K56-Y67 HydrophobicContact CD-CE2 4.08Å; K56-Y67 WeakPolarHBondContact CD-OH 3.13Å; K56-Y67 WeakPolarHBondContact CE-OH 3.11Å; K56-Y67 HydrophobicContact CG-CD1 3.95Å; K56-Y67 HydrophobicContact CG-CD2 4.46Å; K56-Y67 HydrophobicContact CG-CE1 3.67Å; K56-Y67 HydrophobicContact CG-CE2 4.19Å; K56-Y67 HydrophobicContact CG-CG 4.35Å; K56-Y67 PolarHBondContact NZ-OH 2.94Å; P63-Y67 WeakPolarHBondContact O-CB 3.5Å; P63-Y67 PolarHBondContact O-N 2.6Å; G64-Y67 PolarHBondContact O-N 2.87Å; E65-Y67 VanDerWaalsContact C-N 3.28Å; E65-Y67 PolarHBondContact O-N 2.88Å; Y67-I69 PolarHBondContact O-N 3.02Å; Y67-K70 PolarHBondContact O-N 2.9Å; Y67-Q71 HydrophobicContact CD1-CG 4.23Å; Y67-Q71 HydrophobicContact CD2-CG 4.35Å; Y67-Q71 HydrophobicContact CE1-CG 3.71Å; Y67-Q71 HydrophobicContact CE2-CG 3.87Å; Y67-Q71 VanDerWaalsContact CZ-CG 3.5Å; Y67-Q71 WeakPolarHBondContact O-CG 3.24Å; Y67-Q71 PolarHBondContact O-N 3.38Å; Y67-Q71 PolarHBondContact OH-NE2 2.69Å; Y67-E163 PolarHBondContact OH-OE2 3.5Å
68	R	95.3	Very high	94.7	Very high	44 Å²	44	56.7 Å²	56.7	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-47.2	176.7	175.8	-178.3	163.8	-104.1	-8.3	111.7	A34 P58 G64 E65 K70 Q71 L72 V166 D167	A34-R68 PolarHBondContact O-NH1 3.08Å; P58-R68 HydrophobicContact CB-CB 4.27Å; G64-R68 WeakPolarHBondContact O-CB 3.46Å; G64-R68 PolarHBondContact O-N 3.47Å; E65-R68 WeakPolarHBondContact O-CB 3.32Å; E65-R68 PolarHBondContact O-N 3.2Å; E65-R68 VanDerWaalsContact O-N 3.1Å; R68-K70 PolarHBondContact O-N 2.93Å; R68-Q71 CarbonylContact O-C 3.54Å; R68-Q71 PolarHBondContact O-N 2.96Å; R68-L72 WeakPolarHBondContact O-CB 3.43Å; R68-L72 PolarHBondContact O-N 3.46Å; R68-V166 HydrophobicContact CG-CG2 4.23Å; R68-D167 IonicContact CZ-OD1 2.68Å; R68-D167 IonicContact CZ-OD2 2.8Å; R68-D167 IonicContact NE-OD1 3.09Å; R68-D167 PolarHBondContact NE-OD1 3.42Å; R68-D167 IonicContact NE-OD2 3.06Å; R68-D167 IonicContact NH2-OD1 2.72Å; R68-D167 PolarHBondContact NH2-OD1 3.39Å; R68-D167 IonicContact NH2-OD2 3.45Å; R68-D167 PolarHBondContact NH2-OD2 3.3Å
69	I	95.3	Very high	94.7	Very high	77 Å²	77	58 Å²	58	40%	0.395	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-42.7	179.3	-66.1	167.5	0	0	0	110.7	E65 Y67 L72 L73	E65-I69 HydrophobicContact CG-CD1 3.88Å; E65-I69 HydrophobicContact CG-CG1 4.44Å; E65-I69 WeakPolarHBondContact O-CG1 3.35Å; E65-I69 PolarHBondContact O-N 3.24Å; Y67-I69 PolarHBondContact O-N 3.02Å; I69-L72 PolarHBondContact O-N 3.26Å; I69-L73 HydrophobicContact CG2-CD1 4.42Å; I69-L73 PolarHBondContact O-N 3.08Å; I69-L73 VanDerWaalsContact O-N 3.13Å
70	K	95.9	Very high	94.8	Very high	153 Å²	153	55.4 Å²	55.4	67%	0.665	28%	0.28	S	S	*	.	H	α-helix	trans	-61.2	-43.7	174.1	-176.7	-179.2	178	-177	0	111.9	K66 Y67 R68 H74	K66-K70 WeakPolarHBondContact O-CB 3.23Å; K66-K70 PolarHBondContact O-N 3.35Å; Y67-K70 PolarHBondContact O-N 2.9Å; R68-K70 PolarHBondContact O-N 2.93Å; K70-H74 VanDerWaalsContact O-CB 3.29Å; K70-H74 WeakPolarHBondContact O-CB 3.47Å; K70-H74 PolarHBondContact O-N 2.84Å
71	Q	96.8	Very high	94.7	Very high	18 Å²	18	54 Å²	54	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-35.7	175.8	-70.1	-64.5	-11.3	0	0	112	Y67 R68 H74 Q75 V166	Y67-Q71 HydrophobicContact CD1-CG 4.23Å; Y67-Q71 HydrophobicContact CD2-CG 4.35Å; Y67-Q71 HydrophobicContact CE1-CG 3.71Å; Y67-Q71 HydrophobicContact CE2-CG 3.87Å; Y67-Q71 VanDerWaalsContact CZ-CG 3.5Å; Y67-Q71 WeakPolarHBondContact O-CG 3.24Å; Y67-Q71 PolarHBondContact O-N 3.38Å; Y67-Q71 PolarHBondContact OH-NE2 2.69Å; R68-Q71 CarbonylContact O-C 3.54Å; R68-Q71 PolarHBondContact O-N 2.96Å; Q71-H74 PolarHBondContact O-N 3.42Å; Q71-Q75 WeakPolarHBondContact O-CB 3.45Å; Q71-Q75 VanDerWaalsContact O-CG 3.29Å; Q71-Q75 WeakPolarHBondContact O-CG 3.42Å; Q71-Q75 PolarHBondContact O-N 3.18Å; Q71-V166 HydrophobicContact CB-CB 4.26Å; Q71-V166 HydrophobicContact CB-CG2 4.28Å
72	L	95.9	Very high	94.8	Very high	37 Å²	37	50.8 Å²	50.8	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-52	176.9	-169	70.7	0	0	0	110.9	R68 I69 H74 L76 V166	R68-L72 WeakPolarHBondContact O-CB 3.43Å; R68-L72 PolarHBondContact O-N 3.46Å; I69-L72 PolarHBondContact O-N 3.26Å; L72-H74 PolarHBondContact O-N 3.23Å; L72-L76 HydrophobicContact CD1-CD1 4.12Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 PolarHBondContact O-N 2.96Å; L72-V166 HydrophobicContact CB-CG2 4.08Å; L72-V166 HydrophobicContact CD1-CG1 4.13Å; L72-V166 HydrophobicContact CD1-CG2 3.99Å
73	L	95.6	Very high	94.8	Very high	93 Å²	93	51.5 Å²	51.5	49%	0.487	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-37.5	178.7	-66.3	171.9	0	0	0	112.8	I69 P77 P78	I69-L73 HydrophobicContact CG2-CD1 4.42Å; I69-L73 PolarHBondContact O-N 3.08Å; I69-L73 VanDerWaalsContact O-N 3.13Å; L73-P77 WeakPolarHBondContact O-CA 3.41Å; L73-P78 HydrophobicContact CD2-CG 4.49Å
74	H	95.9	Very high	94.7	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-78.4	-39.1	-179.2	-179.9	69.5	0	0	0	113.3	K70 Q71 L72 R181	K70-H74 VanDerWaalsContact O-CB 3.29Å; K70-H74 WeakPolarHBondContact O-CB 3.47Å; K70-H74 PolarHBondContact O-N 2.84Å; Q71-H74 PolarHBondContact O-N 3.42Å; L72-H74 PolarHBondContact O-N 3.23Å; H74-R181 VanDerWaalsContact CE1-CD 3.47Å; H74-R181 WeakPolarHBondContact CE1-CD 3.46Å; H74-R181 WeakPolarHBondContact O-CB 3.2Å; H74-R181 WeakPolarHBondContact O-CD 3.4Å
75	Q	97.3	Very high	94.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-84.6	-26.4	-177.5	-68.3	-170.6	32.7	0	0	113.3	Q71 L164 V166 C179 G180 R181	Q71-Q75 WeakPolarHBondContact O-CB 3.45Å; Q71-Q75 VanDerWaalsContact O-CG 3.29Å; Q71-Q75 WeakPolarHBondContact O-CG 3.42Å; Q71-Q75 PolarHBondContact O-N 3.18Å; Q75-L164 PolarHBondContact NE2-O 3.21Å; Q75-V166 HydrophobicContact CB-CG1 3.85Å; Q75-V166 HydrophobicContact CG-CG1 4.43Å; Q75-C179 HydrophobicContact CB-CB 3.86Å; Q75-C179 HydrophobicContact CG-CB 3.89Å; Q75-G180 CarbonylContact O-C 3.6Å; Q75-G180 VanDerWaalsContact O-CA 3.23Å; Q75-G180 WeakPolarHBondContact O-CA 3.47Å; Q75-G180 PolarHBondContact O-N 3.47Å; Q75-R181 PolarHBondContact O-N 3.1Å
76	L	95.8	Very high	94.3	Very high	47 Å²	47	57 Å²	57	25%	0.246	26%	0.264	C	S	.	.	S	Bend	trans	-130.2	68.9	178.4	-57.5	174.3	0	0	0	110.1	L72 V166 I169 F171	L72-L76 HydrophobicContact CD1-CD1 4.12Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 PolarHBondContact O-N 2.96Å; L76-V166 HydrophobicContact CD1-CG1 4.19Å; L76-V166 HydrophobicContact CG-CG1 4.37Å; L76-I169 HydrophobicContact CD1-CB 4.08Å; L76-I169 HydrophobicContact CD1-CD1 3.61Å; L76-I169 HydrophobicContact CD1-CG1 4.44Å; L76-I169 HydrophobicContact CD1-CG2 3.89Å; L76-I169 HydrophobicContact CD2-CG2 3.99Å; L76-F171 HydrophobicContact CD2-CE2 3.96Å
77	P	95.7	Very high	93.8	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.026	26%	0.264	C	S	.	.			trans	-59.2	128.4	-178	-20	32.2	0	0	0	110.9	L73 H79 D80 R181	L73-P77 WeakPolarHBondContact O-CA 3.41Å; P77-H79 VanDerWaalsContact CB-CE1 3.45Å; P77-H79 WeakPolarHBondContact CB-CE1 3.35Å; P77-H79 PolarHBondContact O-N 3.39Å; P77-D80 HydrophobicContact CB-CB 4.38Å; P77-D80 WeakPolarHBondContact O-CB 3.48Å; P77-D80 PolarHBondContact O-N 3.28Å; P77-R181 HydrophobicContact CG-CB 4.36Å
78	P	93.9	Very high	93	Very high	26 Å²	26	59 Å²	59	17%	0.169	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-59.6	-31.9	-175	-27.4	36.3	0	0	0	113.8	L73 N81 E82 Y85 F562	L73-P78 HydrophobicContact CD2-CG 4.49Å; P78-N81 PolarHBondContact O-N 3.5Å; P78-E82 PolarHBondContact O-N 3.47Å; P78-Y85 HydrophobicContact CB-CD1 4.41Å; P78-Y85 HydrophobicContact CB-CD2 3.47Å; P78-Y85 VanDerWaalsContact CB-CD2 3.47Å; P78-Y85 HydrophobicContact CB-CE2 3.92Å; P78-Y85 HydrophobicContact CB-CG 3.74Å; P78-F562 HydrophobicContact CG-CE1 3.96Å
79	H	94.1	Very high	92.6	Very high	34 Å²	34	57.7 Å²	57.7	16%	0.157	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-71.5	-24	176.1	51.6	-85.2	0	0	0	114.4	P77 N81 C86 D195	P77-H79 VanDerWaalsContact CB-CE1 3.45Å; P77-H79 WeakPolarHBondContact CB-CE1 3.35Å; P77-H79 PolarHBondContact O-N 3.39Å; H79-N81 PolarHBondContact O-N 3.49Å; H79-N81 VanDerWaalsContact O-N 3.11Å; H79-C86 PolarHBondContact O-SG 2.81Å; H79-D195 PolarHBondContact NE2-O 2.78Å
80	D	94.3	Very high	92.4	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.048	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-66.4	-11	170.7	-77.7	20.2	0	0	0	112.7	P77 A184 R190	P77-D80 HydrophobicContact CB-CB 4.38Å; P77-D80 WeakPolarHBondContact O-CB 3.48Å; P77-D80 PolarHBondContact O-N 3.28Å; D80-A184 VanDerWaalsContact OD2-CB 3.28Å; D80-A184 WeakPolarHBondContact OD2-CB 3.34Å; D80-R190 IonicContact OD1-CZ 3.25Å; D80-R190 IonicContact OD1-NH1 3.78Å; D80-R190 PolarHBondContact OD1-NH1 3.28Å; D80-R190 IonicContact OD1-NH2 3.05Å; D80-R190 PolarHBondContact OD1-NH2 2.89Å; D80-R190 IonicContact OD2-CZ 3.68Å; D80-R190 IonicContact OD2-NH1 2.66Å; D80-R190 IonicContact OD2-NH2 2.67Å; D80-R190 PolarHBondContact OD2-NH2 2.83Å
81	N	90.6	Very high	92.3	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.203	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-45.2	-173.4	171.7	39.7	0	0	0	112.7	P78 H79 S101 K105	P78-N81 PolarHBondContact O-N 3.5Å; H79-N81 PolarHBondContact O-N 3.49Å; H79-N81 VanDerWaalsContact O-N 3.11Å; N81-S101 WeakPolarHBondContact O-CB 3.47Å; N81-S101 PolarHBondContact O-OG 3.03Å; N81-K105 PolarHBondContact ND2-NZ 3.4Å; N81-K105 VanDerWaalsContact OD1-CE 3.22Å; N81-K105 WeakPolarHBondContact OD1-CE 3.5Å; N81-K105 PolarHBondContact OD1-NZ 3.23Å
82	E	91.4	Very high	92.1	Very high	61 Å²	61	61 Å²	61	29%	0.285	31%	0.312	S	S	.	.			trans	-132.4	122.1	-166.3	-79.6	166.9	-136.1	0	0	113.6	P78 R84 Y85	P78-E82 PolarHBondContact O-N 3.47Å; E82-R84 HydrophobicContact CB-CG 4.22Å; E82-R84 PolarHBondContact O-N 3.37Å; E82-R84 IonicContact OE2-CZ 2.7Å; E82-R84 IonicContact OE2-NE 3.13Å; E82-R84 PolarHBondContact OE2-NE 3.46Å; E82-R84 IonicContact OE2-NH2 2.77Å; E82-R84 PolarHBondContact OE2-NH2 3.4Å; E82-Y85 HydrophobicContact CB-CD2 3.91Å; E82-Y85 HydrophobicContact CB-CE2 4.26Å; E82-Y85 PolarHBondContact O-N 3.27Å
83	V	92.1	Very high	92	Very high	36 Å²	36	60.6 Å²	60.6	22%	0.218	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-46.7	-35.1	178.1	174.8	0	0	0	0	113.8	Y85 C86 K94 L97 K98	V83-Y85 PolarHBondContact O-N 3.22Å; V83-Y85 VanDerWaalsContact O-N 3.12Å; V83-C86 WeakPolarHBondContact O-CB 3.47Å; V83-C86 PolarHBondContact O-N 2.97Å; V83-K94 HydrophobicContact CG1-CB 4.33Å; V83-K94 HydrophobicContact CG1-CD 3.87Å; V83-K94 HydrophobicContact CG1-CG 3.73Å; V83-K94 HydrophobicContact CG2-CB 4.19Å; V83-K94 HydrophobicContact CG2-CG 4.4Å; V83-L97 HydrophobicContact CG2-CD2 3.91Å; V83-L97 HydrophobicContact CG2-CG 4.44Å; V83-K98 HydrophobicContact CG2-CG 4.34Å
84	R	91.8	Very high	92	Very high	150 Å²	150	59 Å²	59	57%	0.566	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.7	-11.4	-178.1	64.5	170.1	168.5	154.8	0.5	115.1	E82	E82-R84 HydrophobicContact CB-CG 4.22Å; E82-R84 PolarHBondContact O-N 3.37Å; E82-R84 IonicContact OE2-CZ 2.7Å; E82-R84 IonicContact OE2-NE 3.13Å; E82-R84 PolarHBondContact OE2-NE 3.46Å; E82-R84 IonicContact OE2-NH2 2.77Å; E82-R84 PolarHBondContact OE2-NH2 3.4Å
85	Y	91.7	Very high	91.9	Very high	87 Å²	87	61.2 Å²	61.2	34%	0.341	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-107.1	-0.8	175.9	-59.8	-63.1	0	0	0	112.8	P78 E82 V83	P78-Y85 HydrophobicContact CB-CD1 4.41Å; P78-Y85 HydrophobicContact CB-CD2 3.47Å; P78-Y85 VanDerWaalsContact CB-CD2 3.47Å; P78-Y85 HydrophobicContact CB-CE2 3.92Å; P78-Y85 HydrophobicContact CB-CG 3.74Å; E82-Y85 HydrophobicContact CB-CD2 3.91Å; E82-Y85 HydrophobicContact CB-CE2 4.26Å; E82-Y85 PolarHBondContact O-N 3.27Å; V83-Y85 PolarHBondContact O-N 3.22Å; V83-Y85 VanDerWaalsContact O-N 3.12Å
86	C	89.8	Confident	91.8	Very high	24 Å²	24	64.3 Å²	64.3	16%	0.162	32%	0.318	C	S	.	.	S	Bend	trans	-94.7	146.5	-179	-52.5	0	0	0	0	111.2	H79 V83 L89 L97 E196	H79-C86 PolarHBondContact O-SG 2.81Å; V83-C86 WeakPolarHBondContact O-CB 3.47Å; V83-C86 PolarHBondContact O-N 2.97Å; C86-L89 HydrophobicContact CB-CD1 3.54Å; C86-L89 HydrophobicContact CB-CG 3.79Å; C86-L97 WeakPolarHBondContact SG-CD2 3.47Å; C86-E196 WeakPolarHBondContact CA-OE1 3.41Å
87	N	85.2	Confident	91.8	Very high	110 Å²	110	62.1 Å²	62.1	59%	0.588	31%	0.307	S	S	*	.	S	Bend	trans	-84.4	114.3	176.7	-63.1	-83.8	0	0	0	110.2	L89 E196	N87-L89 PolarHBondContact O-N 3.2Å; N87-L89 VanDerWaalsContact O-N 3.13Å; N87-E196 PolarHBondContact N-OE1 3.04Å; N87-E196 PolarHBondContact ND2-OE1 2.99Å
88	S	78	Confident	91.8	Very high	113 Å²	113	67.3 Å²	67.3	79%	0.79	33%	0.329	S	S	*	.	S	Bend	trans	54.1	37.7	160.1	-54.2	0	0	0	0	117.3
89	L	88	Confident	91.9	Very high	17 Å²	17	72 Å²	72	9%	0.089	35%	0.352	C	S	.	.			trans	-66.3	143.4	171.9	-64.4	-179.3	0	0	0	112.5	C86 N87 E93 K94 L97	C86-L89 HydrophobicContact CB-CD1 3.54Å; C86-L89 HydrophobicContact CB-CG 3.79Å; N87-L89 PolarHBondContact O-N 3.2Å; N87-L89 VanDerWaalsContact O-N 3.13Å; L89-E93 WeakPolarHBondContact CA-OE2 3.23Å; L89-E93 HydrophobicContact CB-CB 4.12Å; L89-E93 HydrophobicContact CD2-CB 4.19Å; L89-K94 HydrophobicContact CB-CG 3.95Å; L89-K94 WeakPolarHBondContact O-CE 3.33Å; L89-K94 PolarHBondContact O-NZ 3.14Å; L89-L97 HydrophobicContact CD1-CD2 3.75Å
90	D	91.1	Very high	92	Very high	102 Å²	102	71.4 Å²	71.4	55%	0.545	35%	0.349	S	S	.	.			trans	-79.9	161.7	173.5	-76	-37.8	0	0	0	112.8	E92 E93 K94	D90-E92 PolarHBondContact O-N 3.31Å; D90-E92 VanDerWaalsContact O-N 3.1Å; D90-E93 PolarHBondContact N-OE2 2.83Å; D90-E93 PolarHBondContact O-N 3.22Å; D90-K94 WeakPolarHBondContact O-CG 3.39Å; D90-K94 PolarHBondContact O-N 3.42Å
91	D	92.9	Very high	92	Very high	111 Å²	111	71.3 Å²	71.3	59%	0.594	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-11	-170.3	-79.8	-12.4	0	0	0	115.6	K94 R95	D91-K94 WeakPolarHBondContact OD1-CD 3.49Å; D91-K94 WeakPolarHBondContact OD1-CE 3.25Å; D91-K94 IonicContact OD1-NZ 2.84Å; D91-K94 PolarHBondContact OD1-NZ 2.87Å; D91-R95 PolarHBondContact O-NE 3.41Å; D91-R95 PolarHBondContact O-NH2 3.22Å
92	E	93.8	Very high	92.3	Very high	103 Å²	103	73.9 Å²	73.9	48%	0.481	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-48.7	165.3	-167.4	61	-100.2	0	0	110.9	D90 K94 R95 E96	D90-E92 PolarHBondContact O-N 3.31Å; D90-E92 VanDerWaalsContact O-N 3.1Å; E92-K94 VanDerWaalsContact C-N 3.27Å; E92-K94 PolarHBondContact O-N 2.89Å; E92-R95 CarbonylContact O-C 3.56Å; E92-R95 WeakPolarHBondContact O-CA 3.24Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 2.91Å; E92-R95 IonicContact OE1-CZ 3.85Å; E92-R95 IonicContact OE1-NE 3.16Å; E92-R95 IonicContact OE1-NH1 2.77Å; E92-R95 PolarHBondContact OE1-NH1 3.4Å; E92-R95 IonicContact OE1-NH2 2.69Å; E92-R95 PolarHBondContact OE1-NH2 3.39Å; E92-R95 IonicContact OE2-CZ 3.13Å; E92-R95 IonicContact OE2-NH1 3.32Å; E92-R95 PolarHBondContact OE2-NH1 3.44Å; E92-R95 IonicContact OE2-NH2 3.45Å; E92-R95 PolarHBondContact OE2-NH2 2.94Å; E92-E96 PolarHBondContact O-N 2.77Å
93	E	93.7	Very high	92.5	Very high	30 Å²	30	75.5 Å²	75.5	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-59.4	-37.1	175.2	-56.7	-177	118.4	0	0	112.2	L89 D90 R95 E96 L97 F199 A200	L89-E93 WeakPolarHBondContact CA-OE2 3.23Å; L89-E93 HydrophobicContact CB-CB 4.12Å; L89-E93 HydrophobicContact CD2-CB 4.19Å; D90-E93 PolarHBondContact N-OE2 2.83Å; D90-E93 PolarHBondContact O-N 3.22Å; E93-R95 PolarHBondContact O-N 3.32Å; E93-E96 PolarHBondContact O-N 2.91Å; E93-L97 WeakPolarHBondContact O-CB 3.46Å; E93-L97 PolarHBondContact O-N 2.93Å; E93-F199 HydrophobicContact CB-CB 4.1Å; E93-F199 HydrophobicContact CG-CB 4.08Å; E93-A200 PolarHBondContact OE1-N 3.06Å
94	K	94.3	Very high	92.7	Very high	60 Å²	60	74.3 Å²	74.3	26%	0.261	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-21.4	171.8	-66.9	-172	-164.9	80.9	0	113.2	V83 L89 D90 D91 E92 K98	V83-K94 HydrophobicContact CG1-CB 4.33Å; V83-K94 HydrophobicContact CG1-CD 3.87Å; V83-K94 HydrophobicContact CG1-CG 3.73Å; V83-K94 HydrophobicContact CG2-CB 4.19Å; V83-K94 HydrophobicContact CG2-CG 4.4Å; L89-K94 HydrophobicContact CB-CG 3.95Å; L89-K94 WeakPolarHBondContact O-CE 3.33Å; L89-K94 PolarHBondContact O-NZ 3.14Å; D90-K94 WeakPolarHBondContact O-CG 3.39Å; D90-K94 PolarHBondContact O-N 3.42Å; D91-K94 WeakPolarHBondContact OD1-CD 3.49Å; D91-K94 WeakPolarHBondContact OD1-CE 3.25Å; D91-K94 IonicContact OD1-NZ 2.84Å; D91-K94 PolarHBondContact OD1-NZ 2.87Å; E92-K94 VanDerWaalsContact C-N 3.27Å; E92-K94 PolarHBondContact O-N 2.89Å; K94-K98 WeakPolarHBondContact O-CD 3.37Å; K94-K98 VanDerWaalsContact O-CE 3.3Å; K94-K98 WeakPolarHBondContact O-CE 3.43Å; K94-K98 VanDerWaalsContact O-CG 3.26Å; K94-K98 WeakPolarHBondContact O-CG 3.45Å
95	R	94.9	Very high	92.8	Very high	123 Å²	123	70 Å²	70	46%	0.464	35%	0.347	S	S	.	.	H	α-helix	trans	-89.1	-44.7	171.9	-78.8	178.3	-77.4	130.5	-5.2	110.7	D91 E92 E93 L97 K98 L99	D91-R95 PolarHBondContact O-NE 3.41Å; D91-R95 PolarHBondContact O-NH2 3.22Å; E92-R95 CarbonylContact O-C 3.56Å; E92-R95 WeakPolarHBondContact O-CA 3.24Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 2.91Å; E92-R95 IonicContact OE1-CZ 3.85Å; E92-R95 IonicContact OE1-NE 3.16Å; E92-R95 IonicContact OE1-NH1 2.77Å; E92-R95 PolarHBondContact OE1-NH1 3.4Å; E92-R95 IonicContact OE1-NH2 2.69Å; E92-R95 PolarHBondContact OE1-NH2 3.39Å; E92-R95 IonicContact OE2-CZ 3.13Å; E92-R95 IonicContact OE2-NH1 3.32Å; E92-R95 PolarHBondContact OE2-NH1 3.44Å; E92-R95 IonicContact OE2-NH2 3.45Å; E92-R95 PolarHBondContact OE2-NH2 2.94Å; E93-R95 PolarHBondContact O-N 3.32Å; R95-L97 PolarHBondContact O-N 3.24Å; R95-K98 PolarHBondContact O-N 3.11Å; R95-L99 WeakPolarHBondContact O-CG 3.5Å; R95-L99 PolarHBondContact O-N 2.84Å
96	E	95.1	Very high	93	Very high	66 Å²	66	73.7 Å²	73.7	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-54.7	-50.7	173.8	-71	-139.6	156	0	0	112.1	E92 E93 K98 L99 F100 K188 F199	E92-E96 PolarHBondContact O-N 2.77Å; E93-E96 PolarHBondContact O-N 2.91Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.32Å; E96-L99 PolarHBondContact O-N 2.98Å; E96-F100 VanDerWaalsContact O-CB 3.24Å; E96-F100 WeakPolarHBondContact O-CB 3.38Å; E96-F100 PolarHBondContact O-N 3.13Å; E96-K188 IonicContact OE1-NZ 3.48Å; E96-K188 VanDerWaalsContact OE2-CE 3.32Å; E96-K188 WeakPolarHBondContact OE2-CE 3.4Å; E96-K188 IonicContact OE2-NZ 3.67Å; E96-K188 PolarHBondContact OE2-NZ 3.49Å; E96-F199 HydrophobicContact CB-CB 4.41Å; E96-F199 HydrophobicContact CB-CD1 3.61Å; E96-F199 HydrophobicContact CB-CE1 4.27Å; E96-F199 HydrophobicContact CB-CG 4.22Å; E96-F199 WeakPolarHBondContact OE2-CD1 3.34Å
97	L	95.3	Very high	93.2	Very high	1 Å²	1	76.1 Å²	76.1	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-57.8	-39.1	179	173.2	58.5	0	0	0	112.1	V83 C86 L89 E93 R95 S101 F199	V83-L97 HydrophobicContact CG2-CD2 3.91Å; V83-L97 HydrophobicContact CG2-CG 4.44Å; C86-L97 WeakPolarHBondContact SG-CD2 3.47Å; L89-L97 HydrophobicContact CD1-CD2 3.75Å; E93-L97 WeakPolarHBondContact O-CB 3.46Å; E93-L97 PolarHBondContact O-N 2.93Å; R95-L97 PolarHBondContact O-N 3.24Å; L97-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 3.1Å; L97-S101 PolarHBondContact O-OG 3.47Å; L97-F199 HydrophobicContact CB-CD2 4.41Å; L97-F199 HydrophobicContact CB-CE1 4.35Å; L97-F199 HydrophobicContact CB-CE2 3.86Å; L97-F199 HydrophobicContact CB-CZ 3.83Å; L97-F199 HydrophobicContact CD1-CE2 3.82Å; L97-F199 HydrophobicContact CD1-CZ 3.62Å; L97-F199 HydrophobicContact CG-CE2 4.29Å; L97-F199 HydrophobicContact CG-CZ 4.29Å
98	K	95.4	Very high	93.7	Very high	112 Å²	112	72.1 Å²	72.1	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-68.5	-37.7	176.1	-70.8	171.2	-170.2	166.9	0	112.1	V83 K94 R95 E96 N102	V83-K98 HydrophobicContact CG2-CG 4.34Å; K94-K98 WeakPolarHBondContact O-CD 3.37Å; K94-K98 VanDerWaalsContact O-CE 3.3Å; K94-K98 WeakPolarHBondContact O-CE 3.43Å; K94-K98 VanDerWaalsContact O-CG 3.26Å; K94-K98 WeakPolarHBondContact O-CG 3.45Å; R95-K98 PolarHBondContact O-N 3.11Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 3.32Å; K98-N102 VanDerWaalsContact O-CB 3.29Å; K98-N102 WeakPolarHBondContact O-CB 3.44Å; K98-N102 PolarHBondContact O-N 3.47Å; K98-N102 PolarHBondContact O-ND2 3.45Å
99	L	95.8	Very high	94.6	Very high	125 Å²	125	67.6 Å²	67.6	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-68.8	-48.5	175.9	-69	171.5	0	0	0	110.2	R95 E96 N102 Q103	R95-L99 WeakPolarHBondContact O-CG 3.5Å; R95-L99 PolarHBondContact O-N 2.84Å; E96-L99 PolarHBondContact O-N 2.98Å; L99-N102 PolarHBondContact O-N 2.95Å; L99-Q103 WeakPolarHBondContact O-CB 3.49Å; L99-Q103 PolarHBondContact O-N 3.06Å
100	F	96.2	Very high	94.9	Very high	21 Å²	21	67.2 Å²	67.2	9%	0.092	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-49.8	177.6	179	-106.7	0	0	0	113.1	E96 Q103 R104 A184 L187 K188 I197 F199	E96-F100 VanDerWaalsContact O-CB 3.24Å; E96-F100 WeakPolarHBondContact O-CB 3.38Å; E96-F100 PolarHBondContact O-N 3.13Å; F100-Q103 PolarHBondContact O-N 2.79Å; F100-R104 VanDerWaalsContact CE1-NH1 3.28Å; F100-R104 WeakPolarHBondContact O-CB 3.37Å; F100-R104 VanDerWaalsContact O-CG 3.24Å; F100-R104 WeakPolarHBondContact O-CG 3.48Å; F100-R104 PolarHBondContact O-N 2.81Å; F100-A184 HydrophobicContact CE1-CB 4.33Å; F100-A184 HydrophobicContact CZ-CB 4.17Å; F100-L187 HydrophobicContact CE2-CB 3.76Å; F100-L187 HydrophobicContact CE2-CD1 4.1Å; F100-L187 HydrophobicContact CZ-CB 4.34Å; F100-K188 HydrophobicContact CE2-CB 4.44Å; F100-K188 HydrophobicContact CE2-CG 4.17Å; F100-I197 HydrophobicContact CE1-CG2 4.4Å; F100-I197 HydrophobicContact CZ-CG2 4.45Å; F100-F199 HydrophobicContact CB-CE1 3.88Å; F100-F199 HydrophobicContact CB-CZ 4.34Å; F100-F199 AromaticContact CD1-CE1 3.98Å; F100-F199 HydrophobicContact CD1-CE1 3.98Å; F100-F199 AromaticContact CD1-CZ 3.74Å; F100-F199 HydrophobicContact CD1-CZ 3.74Å; F100-F199 HydrophobicContact CD2-CE1 4.44Å; F100-F199 HydrophobicContact CE1-CZ 4.17Å; F100-F199 AromaticContact CG-CE1 3.89Å; F100-F199 HydrophobicContact CG-CE1 3.89Å; F100-F199 HydrophobicContact CG-CZ 4.15Å
101	S	95.5	Very high	95.1	Very high	8 Å²	8	67.5 Å²	67.5	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-41.6	-178.5	73.9	0	0	0	0	111.8	N81 L97 K105	N81-S101 WeakPolarHBondContact O-CB 3.47Å; N81-S101 PolarHBondContact O-OG 3.03Å; L97-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 3.1Å; L97-S101 PolarHBondContact O-OG 3.47Å; S101-K105 VanDerWaalsContact O-CB 3.26Å; S101-K105 WeakPolarHBondContact O-CB 3.3Å; S101-K105 WeakPolarHBondContact O-CG 3.16Å; S101-K105 PolarHBondContact O-N 2.87Å
102	N	96	Very high	95.1	Very high	92 Å²	92	62.3 Å²	62.3	49%	0.492	28%	0.281	S	S	.	.	H	α-helix	trans	-68.7	-38.9	175.6	-74.6	-53.8	0	0	0	112.9	K98 L99 K105 R106	K98-N102 VanDerWaalsContact O-CB 3.29Å; K98-N102 WeakPolarHBondContact O-CB 3.44Å; K98-N102 PolarHBondContact O-N 3.47Å; K98-N102 PolarHBondContact O-ND2 3.45Å; L99-N102 PolarHBondContact O-N 2.95Å; N102-K105 PolarHBondContact O-N 3.19Å; N102-R106 WeakPolarHBondContact O-CB 3.5Å; N102-R106 PolarHBondContact O-N 2.87Å
103	Q	96.1	Very high	95.1	Very high	94 Å²	94	60.9 Å²	60.9	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-54.8	175.8	-174.1	-179.8	5.2	0	0	110.1	L99 F100 K105 R106 E107	L99-Q103 WeakPolarHBondContact O-CB 3.49Å; L99-Q103 PolarHBondContact O-N 3.06Å; F100-Q103 PolarHBondContact O-N 2.79Å; Q103-K105 VanDerWaalsContact C-N 3.28Å; Q103-K105 PolarHBondContact O-N 3.19Å; Q103-R106 PolarHBondContact O-N 2.96Å; Q103-E107 VanDerWaalsContact CG-CD 3.48Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.3Å; Q103-E107 WeakPolarHBondContact CG-OE2 3.44Å; Q103-E107 PolarHBondContact NE2-OE2 3.05Å; Q103-E107 WeakPolarHBondContact O-CB 3.31Å; Q103-E107 PolarHBondContact O-N 2.65Å
104	R	95.9	Very high	95.1	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-35.9	179.6	-66.3	171	57.1	-151.1	-6.2	112.7	F100 N108 L109 F171 G180 H183 A184 L187	F100-R104 VanDerWaalsContact CE1-NH1 3.28Å; F100-R104 WeakPolarHBondContact O-CB 3.37Å; F100-R104 VanDerWaalsContact O-CG 3.24Å; F100-R104 WeakPolarHBondContact O-CG 3.48Å; F100-R104 PolarHBondContact O-N 2.81Å; R104-N108 PolarHBondContact O-N 3.31Å; R104-N108 VanDerWaalsContact O-N 3.09Å; R104-L109 PolarHBondContact O-N 2.99Å; R104-F171 HydrophobicContact CB-CD1 4.39Å; R104-F171 HydrophobicContact CB-CE1 4Å; R104-G180 PolarHBondContact NH2-O 3.21Å; R104-H183 PolarHBondContact NE-ND1 3.46Å; R104-A184 VanDerWaalsContact NH1-CB 3.28Å; R104-L187 HydrophobicContact CG-CD1 3.94Å
105	K	94.9	Very high	95	Very high	60 Å²	60	61.9 Å²	61.9	26%	0.261	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-36.8	172.7	-81.9	174.1	165.1	-176.5	0	113	N81 S101 N102 Q103 L109 M564	N81-K105 PolarHBondContact ND2-NZ 3.4Å; N81-K105 VanDerWaalsContact OD1-CE 3.22Å; N81-K105 WeakPolarHBondContact OD1-CE 3.5Å; N81-K105 PolarHBondContact OD1-NZ 3.23Å; S101-K105 VanDerWaalsContact O-CB 3.26Å; S101-K105 WeakPolarHBondContact O-CB 3.3Å; S101-K105 WeakPolarHBondContact O-CG 3.16Å; S101-K105 PolarHBondContact O-N 2.87Å; N102-K105 PolarHBondContact O-N 3.19Å; Q103-K105 VanDerWaalsContact C-N 3.28Å; Q103-K105 PolarHBondContact O-N 3.19Å; K105-L109 HydrophobicContact CB-CD2 4.21Å; K105-L109 HydrophobicContact CG-CD2 3.79Å; K105-M564 HydrophobicContact CD-CE 4.28Å
106	R	95.2	Very high	94.8	Very high	165 Å²	165	58.2 Å²	58.2	62%	0.623	27%	0.27	S	S	*	.	H	α-helix	trans	-79.6	-45.7	178.2	178.8	177.8	60.5	-137.5	-2.2	112.4	N102 Q103 R144	N102-R106 WeakPolarHBondContact O-CB 3.5Å; N102-R106 PolarHBondContact O-N 2.87Å; Q103-R106 PolarHBondContact O-N 2.96Å; R106-R144 PolarHBondContact O-NH2 2.81Å
107	E	94.3	Very high	94.4	Very high	74 Å²	74	55.7 Å²	55.7	35%	0.346	26%	0.258	S	S	.	.	H	α-helix	trans	-97.8	-22.5	-163.9	-80.8	147.3	-128	0	0	115.1	Q103 R144	Q103-E107 VanDerWaalsContact CG-CD 3.48Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.3Å; Q103-E107 WeakPolarHBondContact CG-OE2 3.44Å; Q103-E107 PolarHBondContact NE2-OE2 3.05Å; Q103-E107 WeakPolarHBondContact O-CB 3.31Å; Q103-E107 PolarHBondContact O-N 2.65Å; E107-R144 PolarHBondContact O-NH1 2.82Å; E107-R144 PolarHBondContact O-NH2 2.67Å
108	N	96.2	Very high	93.8	Very high	26 Å²	26	58.1 Å²	58.1	14%	0.139	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-36	-175.6	-55.1	103.3	0	0	0	114.6	R104 R144 F171 Y172 H183	R104-N108 PolarHBondContact O-N 3.31Å; R104-N108 VanDerWaalsContact O-N 3.09Å; N108-R144 WeakPolarHBondContact O-CD 3.38Å; N108-F171 HydrophobicContact CB-CB 4.24Å; N108-F171 HydrophobicContact CB-CD1 4.07Å; N108-F171 WeakPolarHBondContact O-CA 3.41Å; N108-Y172 PolarHBondContact ND2-O 3.42Å; N108-Y172 PolarHBondContact O-N 2.88Å; N108-H183 WeakPolarHBondContact CB-NE2 3.48Å; N108-H183 VanDerWaalsContact CG-CE1 3.47Å; N108-H183 PolarHBondContact ND2-NE2 3.37Å; N108-H183 PolarHBondContact OD1-CE1 3.41Å; N108-H183 PolarHBondContact OD1-NE2 3.29Å
109	L	96.3	Very high	93.1	Very high	19 Å²	19	58.4 Å²	58.4	10%	0.099	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	134	-176.8	175.5	65.3	0	0	0	112.8	R104 K105 R144 I169 Y170 F171 M564	R104-L109 PolarHBondContact O-N 2.99Å; K105-L109 HydrophobicContact CB-CD2 4.21Å; K105-L109 HydrophobicContact CG-CD2 3.79Å; L109-R144 WeakPolarHBondContact O-CD 3.29Å; L109-R144 PolarHBondContact O-NE 2.85Å; L109-I169 HydrophobicContact CD1-CG2 3.59Å; L109-Y170 CarbonylContact C-O 3.6Å; L109-Y170 WeakPolarHBondContact CA-O 3.11Å; L109-F171 HydrophobicContact CB-CD1 4.15Å; L109-F171 HydrophobicContact CB-CE1 3.91Å; L109-F171 HydrophobicContact CB-CZ 4.29Å; L109-F171 HydrophobicContact CD1-CD2 4.29Å; L109-F171 HydrophobicContact CD1-CE1 4.3Å; L109-F171 HydrophobicContact CD1-CE2 3.81Å; L109-F171 HydrophobicContact CD1-CZ 3.83Å; L109-M564 HydrophobicContact CD2-CE 4.31Å
110	G	94.9	Very high	92	Very high	8 Å²	8	59 Å²	59	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	172.4	165.9	0	0	0	0	0	112.1	Y170	G110-Y170 VanDerWaalsContact C-CE1 3.41Å; G110-Y170 PolarHBondContact N-O 3.12Å; G110-Y170 WeakPolarHBondContact O-CD1 3.17Å; G110-Y170 PolarHBondContact O-N 2.94Å; G110-Y170 VanDerWaalsContact O-O 3.11Å
111	R	94.6	Very high	91	Very high	108 Å²	108	63.8 Å²	63.8	41%	0.408	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.3	171.3	-167.4	178.9	-172.6	-170.1	0.2	109	L168 Y170	R111-L168 CarbonylContact C-O 3.55Å; R111-L168 WeakPolarHBondContact CA-O 3.37Å; R111-Y170 VanDerWaalsContact C-CE1 3.44Å
112	G	93.5	Very high	89.8	Confident	3 Å²	3	72.4 Å²	72.4	3%	0.031	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68.5	135.1	177.4	0	0	0	0	0	110.5	F141 L168	G112-F141 WeakPolarHBondContact CA-O 3.45Å; G112-L168 PolarHBondContact N-O 3.21Å
113	N	93.2	Very high	88.8	Confident	72 Å²	72	68.9 Å²	68.9	39%	0.385	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.2	171.1	179.3	-102.6	0	0	0	108.5	F141	N113-F141 PolarHBondContact N-O 3.11Å; N113-F141 PolarHBondContact O-N 3.4Å
114	V	93.7	Very high	88.4	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	132	177.3	-164.4	0	0	0	0	109.4	P37 L40 Y48 I138 A139 V140 L168	P37-V114 HydrophobicContact CB-CB 4.13Å; P37-V114 HydrophobicContact CB-CG2 3.67Å; P37-V114 HydrophobicContact CG-CG2 4.33Å; L40-V114 HydrophobicContact CD1-CB 4.3Å; L40-V114 HydrophobicContact CD1-CG1 4.03Å; L40-V114 HydrophobicContact CD2-CB 4.18Å; L40-V114 HydrophobicContact CD2-CG1 4.03Å; L40-V114 HydrophobicContact CG-CB 4.31Å; L40-V114 HydrophobicContact CG-CG1 4.39Å; Y48-V114 HydrophobicContact CD2-CG1 3.75Å; Y48-V114 HydrophobicContact CD2-CG2 4.43Å; Y48-V114 HydrophobicContact CE2-CG1 4.13Å; Y48-V114 HydrophobicContact CE2-CG2 4.06Å; V114-I138 HydrophobicContact CG1-CG2 3.41Å; V114-I138 VanDerWaalsContact CG1-CG2 3.41Å; V114-A139 WeakPolarHBondContact CA-O 3.18Å; V114-V140 HydrophobicContact CG2-CG2 4.27Å; V114-L168 HydrophobicContact CG2-CD1 3.2Å; V114-L168 HydrophobicContact CG2-CG 4.47Å
115	R	91.8	Very high	88.3	Confident	109 Å²	109	70.5 Å²	70.5	41%	0.411	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156	175.6	59.1	-173.5	179.7	173.1	1.1	110	A139 F141	R115-A139 PolarHBondContact N-O 3.04Å; R115-A139 VanDerWaalsContact N-O 3.13Å; R115-A139 PolarHBondContact O-N 3.44Å; R115-A139 VanDerWaalsContact O-O 3.14Å; R115-F141 HydrophobicContact CG-CD2 3.67Å; R115-F141 HydrophobicContact CG-CE2 3.38Å; R115-F141 HydrophobicContact CG-CZ 4.33Å; R115-F141 VanDerWaalsContact NE-CD2 3.32Å; R115-F141 VanDerWaalsContact NH2-CD1 3.34Å; R115-F141 VanDerWaalsContact NH2-CE1 3.27Å
116	P	90.3	Very high	88.2	Confident	46 Å²	46	67.6 Å²	67.6	30%	0.299	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	138.6	165.6	-19.8	31.1	0	0	0	110.8	D137 I138	P116-D137 CarbonylContact C-O 3.53Å; P116-D137 WeakPolarHBondContact CA-O 3.39Å; P116-I138 HydrophobicContact CB-CD1 4.42Å; P116-I138 HydrophobicContact CG-CD1 3.96Å
117	F	86.7	Confident	88.2	Confident	14 Å²	14	65.5 Å²	65.5	6%	0.061	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-69.3	135.7	173.5	-169.6	-92.3	0	0	0	110	V119 M121 A124 I133 G136 D137 F141	F117-V119 PolarHBondContact O-N 3.37Å; F117-M121 HydrophobicContact CE1-CB 3.78Å; F117-M121 HydrophobicContact CZ-CB 4.12Å; F117-A124 HydrophobicContact CD2-CB 4.2Å; F117-A124 HydrophobicContact CE1-CB 4.45Å; F117-A124 HydrophobicContact CE2-CB 3.32Å; F117-A124 HydrophobicContact CZ-CB 3.49Å; F117-A124 VanDerWaalsContact CZ-CB 3.49Å; F117-I133 HydrophobicContact CB-CG2 3.86Å; F117-I133 HydrophobicContact CD2-CG2 4.18Å; F117-I133 HydrophobicContact CG-CG2 3.99Å; F117-G136 PolarHBondContact O-N 3.16Å; F117-D137 PolarHBondContact N-O 3.09Å; F117-F141 AromaticContact CD2-CZ 3.91Å; F117-F141 HydrophobicContact CD2-CZ 3.91Å; F117-F141 HydrophobicContact CE2-CZ 4.39Å
118	P	83.6	Confident	88.2	Confident	52 Å²	52	65.5 Å²	65.5	34%	0.338	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-59.1	121.4	-175.3	-26.2	35.5	0	0	0	113.4	T120 M121	P118-T120 PolarHBondContact O-N 3.19Å; P118-M121 PolarHBondContact O-N 3.33Å
119	V	80.8	Confident	88.1	Confident	117 Å²	117	67.6 Å²	67.6	71%	0.709	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.4	179.2	-164.5	0	0	0	0	112.7	F117	F117-V119 PolarHBondContact O-N 3.37Å
120	T	73.3	Confident	87.9	Confident	137 Å²	137	69.4 Å²	69.4	84%	0.84	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.3	178.5	49.9	0	0	0	0	114.7	P118	P118-T120 PolarHBondContact O-N 3.19Å
121	M	73.5	Confident	87.8	Confident	123 Å²	123	70.3 Å²	70.3	61%	0.606	39%	0.393	S	S	*	.	S	Bend	trans	-106.1	142.8	178.2	-77	-170.3	161.7	0	0	112	F117 P118 G123	F117-M121 HydrophobicContact CE1-CB 3.78Å; F117-M121 HydrophobicContact CZ-CB 4.12Å; P118-M121 PolarHBondContact O-N 3.33Å; M121-G123 PolarHBondContact O-N 3.26Å
122	M	70.9	Confident	87.8	Confident	188 Å²	188	70.9 Å²	70.9	93%	0.926	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-59	125.1	163.5	-64.6	175	68.6	0	0	107.8
123	G	76.1	Confident	87.7	Confident	18 Å²	18	70.8 Å²	70.8	19%	0.186	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-54.8	137.7	-163.5	0	0	0	0	0	114.5	M121 Q132 I133	M121-G123 PolarHBondContact O-N 3.26Å; G123-Q132 PolarHBondContact O-NE2 3.17Å; G123-I133 CarbonylContact C-O 3.6Å; G123-I133 VanDerWaalsContact C-O 3.3Å; G123-I133 WeakPolarHBondContact CA-O 3.44Å
124	A	87.4	Confident	87.5	Confident	22 Å²	22	71.1 Å²	71.1	18%	0.182	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-73.9	166.7	-179.5	0	0	0	0	0	112.8	F117 Q132 I133 C150	F117-A124 HydrophobicContact CD2-CB 4.2Å; F117-A124 HydrophobicContact CE1-CB 4.45Å; F117-A124 HydrophobicContact CE2-CB 3.32Å; F117-A124 HydrophobicContact CZ-CB 3.49Å; F117-A124 VanDerWaalsContact CZ-CB 3.49Å; A124-Q132 WeakPolarHBondContact O-CA 3.22Å; A124-I133 PolarHBondContact N-O 2.84Å; A124-I133 PolarHBondContact O-N 2.81Å; A124-C150 VanDerWaalsContact CB-SG 3.53Å
125	I	92.2	Very high	87.2	Confident	117 Å²	117	72.7 Å²	72.7	60%	0.6	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-99.8	134.5	177.2	-60	175.3	0	0	0	108.7	E127	I125-E127 PolarHBondContact O-N 2.66Å
126	C	94.7	Very high	87	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-77.2	116.7	174.1	174.7	0	0	0	0	111.1	Q128 C129 G130 G131 I133 C150 H152 C155	C126-Q128 PolarHBondContact O-N 3.18Å; C126-Q128 VanDerWaalsContact O-N 3.09Å; C126-C129 PolarHBondContact O-N 3Å; C126-C129 VanDerWaalsContact O-N 3.13Å; C126-G130 PolarHBondContact O-N 3.49Å; C126-G131 WeakPolarHBondContact CB-O 3.49Å; C126-G131 PolarHBondContact N-O 3.35Å; C126-I133 HydrophobicContact CB-CD1 3.93Å; C126-I133 HydrophobicContact CB-CG1 4.26Å; C126-C150 WeakPolarHBondContact CA-O 3.45Å; C126-H152 WeakPolarHBondContact CB-CE1 3.3Å; C126-H152 VanDerWaalsContact CB-ND1 3.3Å; C126-H152 WeakPolarHBondContact CB-ND1 3.38Å; C126-H152 PolarHBondContact SG-ND1 3.36Å; C126-C155 VanDerWaalsContact SG-CB 3.6Å
127	E	94.3	Very high	87	Confident	120 Å²	120	69.1 Å²	69.1	56%	0.561	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.4	-175.2	-172.9	62.3	-154.8	0	0	114	I125 V149 C150 W151	I125-E127 PolarHBondContact O-N 2.66Å; E127-V149 HydrophobicContact CB-CG1 3.83Å; E127-V149 HydrophobicContact CG-CG1 3.9Å; E127-C150 PolarHBondContact N-O 3.35Å; E127-C150 VanDerWaalsContact N-O 3.16Å; E127-W151 HydrophobicContact CB-CD2 4.47Å; E127-W151 HydrophobicContact CB-CZ2 3.92Å; E127-W151 HydrophobicContact CG-CZ2 3.96Å
128	Q	93.6	Very high	87.2	Confident	74 Å²	74	68.9 Å²	68.9	35%	0.346	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-17.3	-175.8	177.3	59.3	82.9	0	0	114.4	C126 C155 V157	C126-Q128 PolarHBondContact O-N 3.18Å; C126-Q128 VanDerWaalsContact O-N 3.09Å; Q128-C155 HydrophobicContact CB-CB 4.15Å; Q128-C155 HydrophobicContact CG-CB 4.34Å; Q128-C155 WeakPolarHBondContact CG-O 3.41Å; Q128-V157 HydrophobicContact CG-CG2 4.05Å
129	C	94.6	Very high	87.7	Confident	71 Å²	71	66.4 Å²	66.4	48%	0.48	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-7	-177.2	71.6	0	0	0	0	115.8	C126 G131	C126-C129 PolarHBondContact O-N 3Å; C126-C129 VanDerWaalsContact O-N 3.13Å; C129-G131 PolarHBondContact O-N 2.88Å; C129-G131 VanDerWaalsContact O-N 3.11Å; C129-G131 PolarHBondContact SG-N 2.92Å
130	G	92.9	Very high	88.4	Confident	56 Å²	56	60.8 Å²	60.8	58%	0.577	36%	0.359	S	S	*	.			trans	69	-1.4	-175.4	0	0	0	0	0	114.8	C126	C126-G130 PolarHBondContact O-N 3.49Å
131	G	93.3	Very high	89.3	Confident	28 Å²	28	55 Å²	55	29%	0.289	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-73.3	150.1	177.2	0	0	0	0	0	112.5	C126 C129	C126-G131 WeakPolarHBondContact CB-O 3.49Å; C126-G131 PolarHBondContact N-O 3.35Å; C129-G131 PolarHBondContact O-N 2.88Å; C129-G131 VanDerWaalsContact O-N 3.11Å; C129-G131 PolarHBondContact SG-N 2.92Å
132	Q	93.1	Very high	90.3	Very high	120 Å²	120	49.2 Å²	49.2	56%	0.561	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-83.2	129	-179.5	-172.8	172	16.8	0	0	111.9	G123 A124	G123-Q132 PolarHBondContact O-NE2 3.17Å; A124-Q132 WeakPolarHBondContact O-CA 3.22Å
133	I	92.3	Very high	91.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-92.2	123.3	170.3	-65.4	164.7	0	0	0	107.4	F117 G123 A124 C126 D137 A139 C150 H152	F117-I133 HydrophobicContact CB-CG2 3.86Å; F117-I133 HydrophobicContact CD2-CG2 4.18Å; F117-I133 HydrophobicContact CG-CG2 3.99Å; G123-I133 CarbonylContact C-O 3.6Å; G123-I133 VanDerWaalsContact C-O 3.3Å; G123-I133 WeakPolarHBondContact CA-O 3.44Å; A124-I133 PolarHBondContact N-O 2.84Å; A124-I133 PolarHBondContact O-N 2.81Å; C126-I133 HydrophobicContact CB-CD1 3.93Å; C126-I133 HydrophobicContact CB-CG1 4.26Å; I133-D137 HydrophobicContact CG2-CB 4.03Å; I133-A139 HydrophobicContact CD1-CB 4.33Å; I133-A139 HydrophobicContact CG2-CB 4.07Å; I133-C150 HydrophobicContact CD1-CB 4.29Å; I133-H152 WeakPolarHBondContact CG1-NE2 3.38Å
134	N	89.5	Confident	92	Very high	80 Å²	80	47.2 Å²	47.2	43%	0.428	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-89.4	164	-173.8	-50.9	-83.6	0	0	0	112.2	G136 D137	N134-G136 PolarHBondContact O-N 3.45Å; N134-G136 VanDerWaalsContact O-N 3.1Å; N134-D137 WeakPolarHBondContact CA-OD2 3.39Å; N134-D137 VanDerWaalsContact CB-OD2 3.22Å; N134-D137 WeakPolarHBondContact CB-OD2 3.26Å; N134-D137 PolarHBondContact N-OD2 2.69Å; N134-D137 PolarHBondContact ND2-OD2 2.87Å; N134-D137 WeakPolarHBondContact O-CB 3.4Å; N134-D137 PolarHBondContact O-N 3.34Å; N134-D137 VanDerWaalsContact O-N 3.1Å
135	G	87.3	Confident	92.2	Very high	34 Å²	34	47.1 Å²	47.1	35%	0.351	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	110.6	171.9	0	0	0	0	0	112.1
136	G	86.1	Confident	91.9	Very high	29 Å²	29	42.9 Å²	42.9	30%	0.299	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.9	-17.6	-177	0	0	0	0	0	115	F117 N134	F117-G136 PolarHBondContact O-N 3.16Å; N134-G136 PolarHBondContact O-N 3.45Å; N134-G136 VanDerWaalsContact O-N 3.1Å
137	D	90.2	Very high	91.3	Very high	51 Å²	51	51 Å²	51	27%	0.273	30%	0.304	S	S	.	.			trans	-67.6	146.6	179.6	-67	-12.7	0	0	0	111.1	P116 F117 I133 N134 A139	P116-D137 CarbonylContact C-O 3.53Å; P116-D137 WeakPolarHBondContact CA-O 3.39Å; F117-D137 PolarHBondContact N-O 3.09Å; I133-D137 HydrophobicContact CG2-CB 4.03Å; N134-D137 WeakPolarHBondContact CA-OD2 3.39Å; N134-D137 VanDerWaalsContact CB-OD2 3.22Å; N134-D137 WeakPolarHBondContact CB-OD2 3.26Å; N134-D137 PolarHBondContact N-OD2 2.69Å; N134-D137 PolarHBondContact ND2-OD2 2.87Å; N134-D137 WeakPolarHBondContact O-CB 3.4Å; N134-D137 PolarHBondContact O-N 3.34Å; N134-D137 VanDerWaalsContact O-N 3.1Å; D137-A139 PolarHBondContact O-N 2.86Å
138	I	92.1	Very high	90.7	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.046	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.9	175.9	-60.9	-63.3	0	0	0	109.9	Q44 H47 Y48 V114 P116 P153	Q44-I138 HydrophobicContact CB-CD1 4.21Å; H47-I138 HydrophobicContact CB-CG1 4.03Å; Y48-I138 HydrophobicContact CD2-CG2 3.98Å; V114-I138 HydrophobicContact CG1-CG2 3.41Å; V114-I138 VanDerWaalsContact CG1-CG2 3.41Å; P116-I138 HydrophobicContact CB-CD1 4.42Å; P116-I138 HydrophobicContact CG-CD1 3.96Å; I138-P153 HydrophobicContact CG2-CG 4.19Å; I138-P153 WeakPolarHBondContact O-CD 3.32Å
139	A	93.8	Very high	90.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.8	-179.9	0	0	0	0	0	112.3	V114 R115 I133 D137 F141 C150	V114-A139 WeakPolarHBondContact CA-O 3.18Å; R115-A139 PolarHBondContact N-O 3.04Å; R115-A139 VanDerWaalsContact N-O 3.13Å; R115-A139 PolarHBondContact O-N 3.44Å; R115-A139 VanDerWaalsContact O-O 3.14Å; I133-A139 HydrophobicContact CD1-CB 4.33Å; I133-A139 HydrophobicContact CG2-CB 4.07Å; D137-A139 PolarHBondContact O-N 2.86Å; A139-F141 HydrophobicContact CB-CD2 4.46Å; A139-F141 HydrophobicContact CB-CE2 3.77Å; A139-F141 HydrophobicContact CB-CZ 4.21Å; A139-C150 HydrophobicContact CB-CB 4.46Å
140	V	94.8	Very high	90.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.6	170.6	-172.1	0	0	0	0	108.7	Y48 V114 C150 W151 P153 F156 L168	Y48-V140 HydrophobicContact CE2-CG2 4.43Å; V114-V140 HydrophobicContact CG2-CG2 4.27Å; V140-C150 CarbonylContact O-C 3.56Å; V140-C150 WeakPolarHBondContact O-CA 3.31Å; V140-C150 WeakPolarHBondContact O-CB 3.32Å; V140-W151 PolarHBondContact N-O 3.31Å; V140-W151 PolarHBondContact O-N 3.19Å; V140-P153 HydrophobicContact CG2-CB 4.44Å; V140-P153 HydrophobicContact CG2-CG 4.37Å; V140-F156 HydrophobicContact CB-CB 4.48Å; V140-F156 HydrophobicContact CB-CD2 4.19Å; V140-F156 HydrophobicContact CB-CG 4.27Å; V140-F156 HydrophobicContact CG1-CD1 4.05Å; V140-F156 HydrophobicContact CG1-CD2 3.74Å; V140-F156 HydrophobicContact CG1-CE1 4.19Å; V140-F156 HydrophobicContact CG1-CE2 3.89Å; V140-F156 HydrophobicContact CG1-CG 3.83Å; V140-F156 HydrophobicContact CG1-CZ 4.11Å; V140-F156 HydrophobicContact CG2-CB 4.31Å; V140-F156 HydrophobicContact CG2-CG 4.49Å; V140-L168 HydrophobicContact CG1-CD2 4.01Å; V140-L168 HydrophobicContact CG2-CD2 4.14Å
141	F	93.8	Very high	90.6	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.066	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.5	176.6	-64.5	-99.2	0	0	0	110.1	G112 N113 R115 F117 A139 C150	G112-F141 WeakPolarHBondContact CA-O 3.45Å; N113-F141 PolarHBondContact N-O 3.11Å; N113-F141 PolarHBondContact O-N 3.4Å; R115-F141 HydrophobicContact CG-CD2 3.67Å; R115-F141 HydrophobicContact CG-CE2 3.38Å; R115-F141 HydrophobicContact CG-CZ 4.33Å; R115-F141 VanDerWaalsContact NE-CD2 3.32Å; R115-F141 VanDerWaalsContact NH2-CD1 3.34Å; R115-F141 VanDerWaalsContact NH2-CE1 3.27Å; F117-F141 AromaticContact CD2-CZ 3.91Å; F117-F141 HydrophobicContact CD2-CZ 3.91Å; F117-F141 HydrophobicContact CE2-CZ 4.39Å; A139-F141 HydrophobicContact CB-CD2 4.46Å; A139-F141 HydrophobicContact CB-CE2 3.77Å; A139-F141 HydrophobicContact CB-CZ 4.21Å; F141-C150 HydrophobicContact CD1-CB 3.9Å; F141-C150 HydrophobicContact CE1-CB 3.86Å; F141-C150 HydrophobicContact CG-CB 4.38Å; F141-C150 HydrophobicContact CZ-CB 4.29Å
142	A	93.9	Very high	90.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	25%	0.251	C	S	.	.			trans	-118.7	98.4	-179.5	0	0	0	0	0	110.7	R144 A145 G146 W151 F156 Y170	A142-R144 PolarHBondContact O-N 3.04Å; A142-A145 HydrophobicContact CB-CB 4.12Å; A142-A145 PolarHBondContact O-N 3.28Å; A142-G146 PolarHBondContact O-N 3.13Å; A142-W151 HydrophobicContact CB-CE3 4.29Å; A142-W151 HydrophobicContact CB-CH2 3.7Å; A142-W151 HydrophobicContact CB-CZ3 3.37Å; A142-F156 HydrophobicContact CB-CE2 4.31Å; A142-Y170 HydrophobicContact CB-CE1 3.92Å; A142-Y170 HydrophobicContact CB-CE2 4.1Å
143	S	91.2	Very high	90.8	Very high	75 Å²	75	36.4 Å²	36.4	52%	0.524	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-30.4	-174.6	-46.4	0	0	0	0	114.8	Y170	S143-Y170 PolarHBondContact N-OH 3.21Å
144	R	91.8	Very high	90.9	Very high	89 Å²	89	38.6 Å²	38.6	34%	0.336	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.5	-179.7	-63.1	177.1	124.5	-77.8	-5.1	114.3	R106 E107 N108 L109 A142 Y170 Y172	R106-R144 PolarHBondContact O-NH2 2.81Å; E107-R144 PolarHBondContact O-NH1 2.82Å; E107-R144 PolarHBondContact O-NH2 2.67Å; N108-R144 WeakPolarHBondContact O-CD 3.38Å; L109-R144 WeakPolarHBondContact O-CD 3.29Å; L109-R144 PolarHBondContact O-NE 2.85Å; A142-R144 PolarHBondContact O-N 3.04Å; R144-Y170 HydrophobicContact CB-CE2 4.12Å; R144-Y170 PolarHBondContact N-OH 3.07Å; R144-Y172 HydrophobicContact CB-CD1 4.31Å; R144-Y172 HydrophobicContact CB-CG 4.44Å; R144-Y172 VanDerWaalsContact O-CD1 3.26Å; R144-Y172 WeakPolarHBondContact O-CD1 3.4Å; R144-Y172 WeakPolarHBondContact O-CE1 3.23Å
145	A	90.1	Very high	91.2	Very high	21 Å²	21	35.9 Å²	35.9	17%	0.174	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-25.5	172.1	0	0	0	0	0	112.2	A142 V149 W151 Y172	A142-A145 HydrophobicContact CB-CB 4.12Å; A142-A145 PolarHBondContact O-N 3.28Å; A145-V149 HydrophobicContact CB-CB 4.2Å; A145-V149 HydrophobicContact CB-CG1 4.39Å; A145-V149 HydrophobicContact CB-CG2 4.37Å; A145-W151 HydrophobicContact CB-CH2 3.74Å; A145-Y172 HydrophobicContact CB-CD2 4.01Å; A145-Y172 HydrophobicContact CB-CE2 3.66Å
146	G	87.4	Confident	91.7	Very high	27 Å²	27	34.4 Å²	34.4	28%	0.278	22%	0.215	S	C	.	.			trans	135	148.5	176.3	0	0	0	0	0	111.6	A142 G148 V149	A142-G146 PolarHBondContact O-N 3.13Å; G146-G148 PolarHBondContact O-N 2.98Å; G146-V149 PolarHBondContact O-N 2.88Å
147	H	81.1	Confident	92.2	Very high	172 Å²	172	33.8 Å²	33.8	80%	0.796	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.8	-171.1	-59.5	-67.5	0	0	0	115.3
148	G	81.8	Confident	92.5	Very high	66 Å²	66	31.3 Å²	31.3	68%	0.68	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-5	175.5	0	0	0	0	0	115.3	G146	G146-G148 PolarHBondContact O-N 2.98Å
149	V	91.2	Very high	92.7	Very high	33 Å²	33	32.1 Å²	32.1	20%	0.2	20%	0.199	C	C	.	.			trans	-87.9	128.2	-175.8	-164.6	0	0	0	0	110.2	E127 A145 G146 W151	E127-V149 HydrophobicContact CB-CG1 3.83Å; E127-V149 HydrophobicContact CG-CG1 3.9Å; A145-V149 HydrophobicContact CB-CB 4.2Å; A145-V149 HydrophobicContact CB-CG1 4.39Å; A145-V149 HydrophobicContact CB-CG2 4.37Å; G146-V149 PolarHBondContact O-N 2.88Å; V149-W151 HydrophobicContact CB-CH2 4.02Å; V149-W151 HydrophobicContact CB-CZ3 4.18Å; V149-W151 HydrophobicContact CG1-CH2 3.35Å; V149-W151 HydrophobicContact CG1-CZ2 3.85Å; V149-W151 HydrophobicContact CG1-CZ3 3.82Å; V149-W151 WeakPolarHBondContact O-CZ3 3.28Å
150	C	93.2	Very high	92.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160	-176.2	56.2	0	0	0	0	113.8	A124 C126 E127 I133 A139 V140 F141	A124-C150 VanDerWaalsContact CB-SG 3.53Å; C126-C150 WeakPolarHBondContact CA-O 3.45Å; E127-C150 PolarHBondContact N-O 3.35Å; E127-C150 VanDerWaalsContact N-O 3.16Å; I133-C150 HydrophobicContact CD1-CB 4.29Å; A139-C150 HydrophobicContact CB-CB 4.46Å; V140-C150 CarbonylContact O-C 3.56Å; V140-C150 WeakPolarHBondContact O-CA 3.31Å; V140-C150 WeakPolarHBondContact O-CB 3.32Å; F141-C150 HydrophobicContact CD1-CB 3.9Å; F141-C150 HydrophobicContact CE1-CB 3.86Å; F141-C150 HydrophobicContact CG-CB 4.38Å; F141-C150 HydrophobicContact CZ-CB 4.29Å
151	W	95.4	Very high	92.9	Very high	9 Å²	9	38 Å²	38	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.9	179.5	-62.1	-107.4	0	0	0	110.7	E127 V140 A142 A145 V149 C155 F156 I177	E127-W151 HydrophobicContact CB-CD2 4.47Å; E127-W151 HydrophobicContact CB-CZ2 3.92Å; E127-W151 HydrophobicContact CG-CZ2 3.96Å; V140-W151 PolarHBondContact N-O 3.31Å; V140-W151 PolarHBondContact O-N 3.19Å; A142-W151 HydrophobicContact CB-CE3 4.29Å; A142-W151 HydrophobicContact CB-CH2 3.7Å; A142-W151 HydrophobicContact CB-CZ3 3.37Å; A145-W151 HydrophobicContact CB-CH2 3.74Å; V149-W151 HydrophobicContact CB-CH2 4.02Å; V149-W151 HydrophobicContact CB-CZ3 4.18Å; V149-W151 HydrophobicContact CG1-CH2 3.35Å; V149-W151 HydrophobicContact CG1-CZ2 3.85Å; V149-W151 HydrophobicContact CG1-CZ3 3.82Å; V149-W151 WeakPolarHBondContact O-CZ3 3.28Å; W151-C155 HydrophobicContact CB-CB 4.39Å; W151-F156 HydrophobicContact CB-CB 4.3Å; W151-F156 HydrophobicContact CB-CD2 4.01Å; W151-F156 AromaticContact CD2-CD2 3.76Å; W151-F156 HydrophobicContact CD2-CD2 3.76Å; W151-F156 HydrophobicContact CD2-CE2 4.05Å; W151-F156 AromaticContact CE3-CD2 3.96Å; W151-F156 HydrophobicContact CE3-CD2 3.96Å; W151-F156 AromaticContact CE3-CE2 3.91Å; W151-F156 HydrophobicContact CE3-CE2 3.91Å; W151-F156 AromaticContact CG-CD2 3.78Å; W151-F156 HydrophobicContact CG-CD2 3.78Å; W151-F156 HydrophobicContact CZ3-CE2 4.36Å; W151-I177 HydrophobicContact CZ2-CD1 4.08Å; W151-I177 HydrophobicContact CZ2-CG2 4.43Å
152	H	95	Very high	93	Very high	49 Å²	49	43 Å²	43	23%	0.227	26%	0.258	C	S	.	.			trans	-59.1	149	155.5	-52.1	102.6	0	0	0	109	C126 I133 A154 C155 F156	C126-H152 WeakPolarHBondContact CB-CE1 3.3Å; C126-H152 VanDerWaalsContact CB-ND1 3.3Å; C126-H152 WeakPolarHBondContact CB-ND1 3.38Å; C126-H152 PolarHBondContact SG-ND1 3.36Å; I133-H152 WeakPolarHBondContact CG1-NE2 3.38Å; H152-A154 VanDerWaalsContact C-N 3.34Å; H152-A154 PolarHBondContact O-N 2.86Å; H152-C155 HydrophobicContact CB-CB 4.04Å; H152-C155 CarbonylContact O-C 3.57Å; H152-C155 WeakPolarHBondContact O-CA 3.33Å; H152-C155 WeakPolarHBondContact O-CB 3.45Å; H152-C155 PolarHBondContact O-N 2.97Å; H152-F156 PolarHBondContact O-N 3.37Å
153	P	94.8	Very high	93.1	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.032	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54	-46.3	178.8	-29.2	37.4	0	0	0	113.6	Y48 S51 L52 I138 V140 C155 F156	Y48-P153 HydrophobicContact CD2-CB 3.89Å; Y48-P153 HydrophobicContact CD2-CG 3.72Å; Y48-P153 HydrophobicContact CE2-CB 3.58Å; Y48-P153 HydrophobicContact CE2-CG 3.84Å; S51-P153 WeakPolarHBondContact OG-CB 3.31Å; S51-P153 WeakPolarHBondContact OG-CG 3.29Å; L52-P153 HydrophobicContact CD2-CB 3.92Å; I138-P153 HydrophobicContact CG2-CG 4.19Å; I138-P153 WeakPolarHBondContact O-CD 3.32Å; V140-P153 HydrophobicContact CG2-CB 4.44Å; V140-P153 HydrophobicContact CG2-CG 4.37Å; P153-C155 PolarHBondContact O-N 3.32Å; P153-F156 PolarHBondContact O-N 3.32Å; P153-F156 VanDerWaalsContact O-N 3.13Å
154	A	94.9	Very high	93.4	Very high	45 Å²	45	43.5 Å²	43.5	37%	0.372	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-64.7	-17.8	175.4	0	0	0	0	0	114.4	S51 L52 H152	S51-A154 WeakPolarHBondContact O-CB 3.35Å; L52-A154 HydrophobicContact CD2-CB 4.05Å; H152-A154 VanDerWaalsContact C-N 3.34Å; H152-A154 PolarHBondContact O-N 2.86Å
155	C	95.7	Very high	93.6	Very high	24 Å²	24	39.6 Å²	39.6	16%	0.162	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-93.7	-3.1	177.8	-66.2	0	0	0	0	113.2	C126 Q128 W151 H152 P153 V157	C126-C155 VanDerWaalsContact SG-CB 3.6Å; Q128-C155 HydrophobicContact CB-CB 4.15Å; Q128-C155 HydrophobicContact CG-CB 4.34Å; Q128-C155 WeakPolarHBondContact CG-O 3.41Å; W151-C155 HydrophobicContact CB-CB 4.39Å; H152-C155 HydrophobicContact CB-CB 4.04Å; H152-C155 CarbonylContact O-C 3.57Å; H152-C155 WeakPolarHBondContact O-CA 3.33Å; H152-C155 WeakPolarHBondContact O-CB 3.45Å; H152-C155 PolarHBondContact O-N 2.97Å; P153-C155 PolarHBondContact O-N 3.32Å; C155-V157 PolarHBondContact O-N 3.14Å
156	F	96.6	Very high	93.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	23%	0.233	C	C	.	.			trans	-83.6	68	179.3	-160.1	-110.7	0	0	0	111.3	V140 A142 W151 H152 P153 L165 L168 Y170 I177	V140-F156 HydrophobicContact CB-CB 4.48Å; V140-F156 HydrophobicContact CB-CD2 4.19Å; V140-F156 HydrophobicContact CB-CG 4.27Å; V140-F156 HydrophobicContact CG1-CD1 4.05Å; V140-F156 HydrophobicContact CG1-CD2 3.74Å; V140-F156 HydrophobicContact CG1-CE1 4.19Å; V140-F156 HydrophobicContact CG1-CE2 3.89Å; V140-F156 HydrophobicContact CG1-CG 3.83Å; V140-F156 HydrophobicContact CG1-CZ 4.11Å; V140-F156 HydrophobicContact CG2-CB 4.31Å; V140-F156 HydrophobicContact CG2-CG 4.49Å; A142-F156 HydrophobicContact CB-CE2 4.31Å; W151-F156 HydrophobicContact CB-CB 4.3Å; W151-F156 HydrophobicContact CB-CD2 4.01Å; W151-F156 AromaticContact CD2-CD2 3.76Å; W151-F156 HydrophobicContact CD2-CD2 3.76Å; W151-F156 HydrophobicContact CD2-CE2 4.05Å; W151-F156 AromaticContact CE3-CD2 3.96Å; W151-F156 HydrophobicContact CE3-CD2 3.96Å; W151-F156 AromaticContact CE3-CE2 3.91Å; W151-F156 HydrophobicContact CE3-CE2 3.91Å; W151-F156 AromaticContact CG-CD2 3.78Å; W151-F156 HydrophobicContact CG-CD2 3.78Å; W151-F156 HydrophobicContact CZ3-CE2 4.36Å; H152-F156 PolarHBondContact O-N 3.37Å; P153-F156 PolarHBondContact O-N 3.32Å; P153-F156 VanDerWaalsContact O-N 3.13Å; F156-L165 HydrophobicContact CD1-CB 3.82Å; F156-L165 HydrophobicContact CD1-CD1 3.88Å; F156-L165 HydrophobicContact CD1-CG 4.43Å; F156-L165 HydrophobicContact CE1-CB 3.9Å; F156-L165 HydrophobicContact CE1-CD1 3.74Å; F156-L165 HydrophobicContact CE1-CG 4.46Å; F156-L165 HydrophobicContact CG-CD1 4.33Å; F156-L165 HydrophobicContact CZ-CD1 4.09Å; F156-L165 PolarHBondContact O-N 2.76Å; F156-L168 HydrophobicContact CD1-CD2 3.71Å; F156-L168 HydrophobicContact CE1-CB 4.27Å; F156-L168 HydrophobicContact CE1-CD2 4.15Å; F156-L168 HydrophobicContact CG-CD2 4.5Å; F156-Y170 HydrophobicContact CE1-CD1 4.21Å; F156-Y170 AromaticContact CZ-CD1 3.61Å; F156-Y170 HydrophobicContact CZ-CD1 3.61Å; F156-Y170 HydrophobicContact CZ-CE1 4.26Å; F156-Y170 AromaticContact CZ-CG 4Å; F156-Y170 HydrophobicContact CZ-CG 4Å; F156-I177 HydrophobicContact CD2-CD1 3.87Å; F156-I177 HydrophobicContact CE2-CD1 3.75Å; F156-I177 HydrophobicContact CZ-CD1 4.4Å
157	V	97	Very high	94.2	Very high	16 Å²	16	39 Å²	39	10%	0.097	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-111.8	154.7	-171.4	-63	0	0	0	0	113.2	Q128 C155 K162 E163 L164	Q128-V157 HydrophobicContact CG-CG2 4.05Å; C155-V157 PolarHBondContact O-N 3.14Å; V157-K162 WeakPolarHBondContact CB-O 3.13Å; V157-K162 WeakPolarHBondContact CG1-O 3.45Å; V157-E163 CarbonylContact C-O 3.58Å; V157-E163 VanDerWaalsContact CA-O 3.26Å; V157-E163 WeakPolarHBondContact CA-O 3.29Å; V157-E163 WeakPolarHBondContact CB-O 3.2Å; V157-L164 HydrophobicContact CG1-CD2 3.9Å; V157-L164 HydrophobicContact CG1-CG 4.49Å
158	C	97.5	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.189	C	C	.	.			trans	-65.8	131	172	175.4	0	0	0	0	111.2	T160 C161 K162 E163 L165 C179	C158-T160 PolarHBondContact O-N 2.77Å; C158-T160 VanDerWaalsContact O-N 3.1Å; C158-C161 VanDerWaalsContact CB-SG 3.6Å; C158-C161 VanDerWaalsContact SG-SG 3.68Å; C158-K162 VanDerWaalsContact O-CA 3.25Å; C158-K162 WeakPolarHBondContact O-CA 3.29Å; C158-K162 PolarHBondContact O-N 2.72Å; C158-E163 PolarHBondContact N-O 3.32Å; C158-L165 HydrophobicContact CB-CD2 3.94Å; C158-C179 HydrophobicContact CB-CB 4.16Å; C158-C179 PolarHBondContact SG-N 2.85Å
159	S	96.8	Very high	95.6	Very high	25 Å²	25	29.3 Å²	29.3	18%	0.175	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28	-179.2	-65.2	0	0	0	0	114.2	K162 I177	S159-K162 WeakPolarHBondContact O-CE 3.35Å; S159-K162 PolarHBondContact O-NZ 3.38Å; S159-I177 VanDerWaalsContact CB-O 3.23Å; S159-I177 WeakPolarHBondContact CB-O 3.37Å; S159-I177 PolarHBondContact N-O 3.22Å; S159-I177 PolarHBondContact OG-O 3.31Å
160	T	96.4	Very high	95.9	Very high	76 Å²	76	27.8 Å²	27.8	47%	0.466	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-68.7	-179	-47.4	0	0	0	0	112.2	C158 K162 H182	C158-T160 PolarHBondContact O-N 2.77Å; C158-T160 VanDerWaalsContact O-N 3.1Å; T160-K162 PolarHBondContact O-N 2.77Å; T160-H182 VanDerWaalsContact CG2-CD2 3.49Å; T160-H182 WeakPolarHBondContact CG2-CD2 3.49Å
161	C	95.6	Very high	96.1	Very high	48 Å²	48	28.5 Å²	28.5	32%	0.324	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.9	-174.8	58.4	0	0	0	0	115.4	C158 E163 H182	C158-C161 VanDerWaalsContact CB-SG 3.6Å; C158-C161 VanDerWaalsContact SG-SG 3.68Å; C161-E163 PolarHBondContact O-N 2.84Å; C161-H182 VanDerWaalsContact CB-CE1 3.45Å; C161-H182 WeakPolarHBondContact CB-CE1 3.38Å; C161-H182 PolarHBondContact SG-CE1 3.4Å
162	K	95.6	Very high	96.1	Very high	120 Å²	120	30.8 Å²	30.8	52%	0.522	17%	0.167	S	C	.	.			trans	59.3	10.8	-177.5	-51.3	-50.9	-169.2	-170.7	0	115.9	V157 C158 S159 T160	V157-K162 WeakPolarHBondContact CB-O 3.13Å; V157-K162 WeakPolarHBondContact CG1-O 3.45Å; C158-K162 VanDerWaalsContact O-CA 3.25Å; C158-K162 WeakPolarHBondContact O-CA 3.29Å; C158-K162 PolarHBondContact O-N 2.72Å; S159-K162 WeakPolarHBondContact O-CE 3.35Å; S159-K162 PolarHBondContact O-NZ 3.38Å; T160-K162 PolarHBondContact O-N 2.77Å
163	E	96.5	Very high	96.1	Very high	55 Å²	55	30.3 Å²	30.3	26%	0.257	17%	0.165	S	C	.	.			trans	-80.7	150.5	172.7	-75.1	-70.6	-157.9	0	0	112.8	K56 Y67 V157 C158 C161 L165	K56-E163 IonicContact NZ-OE1 3.8Å; K56-E163 PolarHBondContact NZ-OE1 2.85Å; K56-E163 IonicContact NZ-OE2 3.97Å; K56-E163 PolarHBondContact NZ-OE2 2.68Å; Y67-E163 PolarHBondContact OH-OE2 3.5Å; V157-E163 CarbonylContact C-O 3.58Å; V157-E163 VanDerWaalsContact CA-O 3.26Å; V157-E163 WeakPolarHBondContact CA-O 3.29Å; V157-E163 WeakPolarHBondContact CB-O 3.2Å; C158-E163 PolarHBondContact N-O 3.32Å; C161-E163 PolarHBondContact O-N 2.84Å; E163-L165 PolarHBondContact O-N 2.79Å
164	L	96.1	Very high	96	Very high	31 Å²	31	35.1 Å²	35.1	16%	0.162	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-56.8	133.7	176.4	-65.4	170.8	0	0	0	110.8	L52 K56 Q75 V157 V166	L52-L164 HydrophobicContact CD2-CD1 4.14Å; L52-L164 HydrophobicContact CD2-CD2 4.32Å; K56-L164 HydrophobicContact CB-CD1 4.46Å; K56-L164 HydrophobicContact CD-CD1 4.05Å; Q75-L164 PolarHBondContact NE2-O 3.21Å; V157-L164 HydrophobicContact CG1-CD2 3.9Å; V157-L164 HydrophobicContact CG1-CG 4.49Å; L164-V166 PolarHBondContact O-N 2.82Å
165	L	97.1	Very high	95.8	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.042	20%	0.196	C	C	.	.			trans	-73.1	110	-178.2	-70.8	161.1	0	0	0	110.5	F156 C158 E163 L168 I177 C179	F156-L165 HydrophobicContact CD1-CB 3.82Å; F156-L165 HydrophobicContact CD1-CD1 3.88Å; F156-L165 HydrophobicContact CD1-CG 4.43Å; F156-L165 HydrophobicContact CE1-CB 3.9Å; F156-L165 HydrophobicContact CE1-CD1 3.74Å; F156-L165 HydrophobicContact CE1-CG 4.46Å; F156-L165 HydrophobicContact CG-CD1 4.33Å; F156-L165 HydrophobicContact CZ-CD1 4.09Å; F156-L165 PolarHBondContact O-N 2.76Å; C158-L165 HydrophobicContact CB-CD2 3.94Å; E163-L165 PolarHBondContact O-N 2.79Å; L165-L168 WeakPolarHBondContact O-CA 3.42Å; L165-L168 PolarHBondContact O-N 2.71Å; L165-L168 VanDerWaalsContact O-N 3.1Å; L165-I177 HydrophobicContact CD1-CB 4.24Å; L165-I177 HydrophobicContact CD1-CD1 3.7Å; L165-I177 HydrophobicContact CD1-CG1 4.08Å; L165-C179 HydrophobicContact CD2-CB 3.77Å
166	V	95.7	Very high	95.8	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.067	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.3	135	-170.8	67	0	0	0	0	112.1	R68 Q71 L72 Q75 L76 L164 L168 I169	R68-V166 HydrophobicContact CG-CG2 4.23Å; Q71-V166 HydrophobicContact CB-CB 4.26Å; Q71-V166 HydrophobicContact CB-CG2 4.28Å; L72-V166 HydrophobicContact CB-CG2 4.08Å; L72-V166 HydrophobicContact CD1-CG1 4.13Å; L72-V166 HydrophobicContact CD1-CG2 3.99Å; Q75-V166 HydrophobicContact CB-CG1 3.85Å; Q75-V166 HydrophobicContact CG-CG1 4.43Å; L76-V166 HydrophobicContact CD1-CG1 4.19Å; L76-V166 HydrophobicContact CG-CG1 4.37Å; L164-V166 PolarHBondContact O-N 2.82Å; V166-L168 PolarHBondContact O-N 3.25Å; V166-I169 WeakPolarHBondContact O-CB 3.46Å; V166-I169 PolarHBondContact O-N 2.86Å
167	D	94.9	Very high	95.8	Very high	24 Å²	24	39.9 Å²	39.9	13%	0.128	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	50.7	22.2	-175.4	-66.4	18	0	0	0	114.7	W35 R68 I169	W35-D167 VanDerWaalsContact CZ2-CA 3.43Å; W35-D167 HydrophobicContact CZ2-CB 3.81Å; W35-D167 WeakPolarHBondContact CZ2-O 3.44Å; W35-D167 VanDerWaalsContact NE1-CG 3.32Å; W35-D167 PolarHBondContact NE1-OD2 2.72Å; W35-D167 VanDerWaalsContact NE1-OD2 3.15Å; R68-D167 IonicContact CZ-OD1 2.68Å; R68-D167 IonicContact CZ-OD2 2.8Å; R68-D167 IonicContact NE-OD1 3.09Å; R68-D167 PolarHBondContact NE-OD1 3.42Å; R68-D167 IonicContact NE-OD2 3.06Å; R68-D167 IonicContact NH2-OD1 2.72Å; R68-D167 PolarHBondContact NH2-OD1 3.39Å; R68-D167 IonicContact NH2-OD2 3.45Å; R68-D167 PolarHBondContact NH2-OD2 3.3Å; D167-I169 HydrophobicContact CB-CD1 4.06Å; D167-I169 HydrophobicContact CB-CG1 4.2Å; D167-I169 PolarHBondContact O-N 3.08Å
168	L	95.6	Very high	95.8	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	61.8	22.2	-172	-53.9	163.4	0	0	0	114	W35 P37 R111 G112 V114 V140 F156 L165 V166	W35-L168 HydrophobicContact CH2-CD1 3.91Å; W35-L168 HydrophobicContact CH2-CG 3.96Å; P37-L168 HydrophobicContact CB-CD1 4.1Å; R111-L168 CarbonylContact C-O 3.55Å; R111-L168 WeakPolarHBondContact CA-O 3.37Å; G112-L168 PolarHBondContact N-O 3.21Å; V114-L168 HydrophobicContact CG2-CD1 3.2Å; V114-L168 HydrophobicContact CG2-CG 4.47Å; V140-L168 HydrophobicContact CG1-CD2 4.01Å; V140-L168 HydrophobicContact CG2-CD2 4.14Å; F156-L168 HydrophobicContact CD1-CD2 3.71Å; F156-L168 HydrophobicContact CE1-CB 4.27Å; F156-L168 HydrophobicContact CE1-CD2 4.15Å; F156-L168 HydrophobicContact CG-CD2 4.5Å; L165-L168 WeakPolarHBondContact O-CA 3.42Å; L165-L168 PolarHBondContact O-N 2.71Å; L165-L168 VanDerWaalsContact O-N 3.1Å; V166-L168 PolarHBondContact O-N 3.25Å
169	I	96.1	Very high	95.8	Very high	32 Å²	32	39.6 Å²	39.6	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.2	179.7	-60.5	173.5	0	0	0	108.9	L76 L109 V166 D167	L76-I169 HydrophobicContact CD1-CB 4.08Å; L76-I169 HydrophobicContact CD1-CD1 3.61Å; L76-I169 HydrophobicContact CD1-CG1 4.44Å; L76-I169 HydrophobicContact CD1-CG2 3.89Å; L76-I169 HydrophobicContact CD2-CG2 3.99Å; L109-I169 HydrophobicContact CD1-CG2 3.59Å; V166-I169 WeakPolarHBondContact O-CB 3.46Å; V166-I169 PolarHBondContact O-N 2.86Å; D167-I169 HydrophobicContact CB-CD1 4.06Å; D167-I169 HydrophobicContact CB-CG1 4.2Å; D167-I169 PolarHBondContact O-N 3.08Å
170	Y	97	Very high	95.8	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.3	-175.4	71.7	-89.6	0	0	0	111.6	L109 G110 R111 A142 S143 R144 F156 I177	L109-Y170 CarbonylContact C-O 3.6Å; L109-Y170 WeakPolarHBondContact CA-O 3.11Å; G110-Y170 VanDerWaalsContact C-CE1 3.41Å; G110-Y170 PolarHBondContact N-O 3.12Å; G110-Y170 WeakPolarHBondContact O-CD1 3.17Å; G110-Y170 PolarHBondContact O-N 2.94Å; G110-Y170 VanDerWaalsContact O-O 3.11Å; R111-Y170 VanDerWaalsContact C-CE1 3.44Å; A142-Y170 HydrophobicContact CB-CE1 3.92Å; A142-Y170 HydrophobicContact CB-CE2 4.1Å; S143-Y170 PolarHBondContact N-OH 3.21Å; R144-Y170 HydrophobicContact CB-CE2 4.12Å; R144-Y170 PolarHBondContact N-OH 3.07Å; F156-Y170 HydrophobicContact CE1-CD1 4.21Å; F156-Y170 AromaticContact CZ-CD1 3.61Å; F156-Y170 HydrophobicContact CZ-CD1 3.61Å; F156-Y170 HydrophobicContact CZ-CE1 4.26Å; F156-Y170 AromaticContact CZ-CG 4Å; F156-Y170 HydrophobicContact CZ-CG 4Å; Y170-I177 HydrophobicContact CD2-CG2 3.93Å; Y170-I177 HydrophobicContact CG-CG2 4.48Å
171	F	97.3	Very high	95.8	Very high	14 Å²	14	36.4 Å²	36.4	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.5	168	-66.6	-109.9	0	0	0	108.3	L76 R104 N108 L109 Y178 G180 H183	L76-F171 HydrophobicContact CD2-CE2 3.96Å; R104-F171 HydrophobicContact CB-CD1 4.39Å; R104-F171 HydrophobicContact CB-CE1 4Å; N108-F171 HydrophobicContact CB-CB 4.24Å; N108-F171 HydrophobicContact CB-CD1 4.07Å; N108-F171 WeakPolarHBondContact O-CA 3.41Å; L109-F171 HydrophobicContact CB-CD1 4.15Å; L109-F171 HydrophobicContact CB-CE1 3.91Å; L109-F171 HydrophobicContact CB-CZ 4.29Å; L109-F171 HydrophobicContact CD1-CD2 4.29Å; L109-F171 HydrophobicContact CD1-CE1 4.3Å; L109-F171 HydrophobicContact CD1-CE2 3.81Å; L109-F171 HydrophobicContact CD1-CZ 3.83Å; F171-Y178 PolarHBondContact N-O 3.33Å; F171-Y178 PolarHBondContact O-N 3.14Å; F171-G180 VanDerWaalsContact CD2-CA 3.48Å; F171-H183 HydrophobicContact CB-CB 3.82Å; F171-H183 WeakPolarHBondContact CB-CD2 3.25Å; F171-H183 HydrophobicContact CD1-CB 4.39Å; F171-H183 AromaticContact CD1-CG 4Å; F171-H183 HydrophobicContact CG-CB 4.05Å; F171-H183 AromaticContact CG-CG 3.98Å
172	Y	96.6	Very high	95.9	Very high	58 Å²	58	35.5 Å²	35.5	23%	0.227	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.1	-179.6	-178.9	-104.9	0	0	0	111.2	N108 R144 A145 G175 K176 I177	N108-Y172 PolarHBondContact ND2-O 3.42Å; N108-Y172 PolarHBondContact O-N 2.88Å; R144-Y172 HydrophobicContact CB-CD1 4.31Å; R144-Y172 HydrophobicContact CB-CG 4.44Å; R144-Y172 VanDerWaalsContact O-CD1 3.26Å; R144-Y172 WeakPolarHBondContact O-CD1 3.4Å; R144-Y172 WeakPolarHBondContact O-CE1 3.23Å; A145-Y172 HydrophobicContact CB-CD2 4.01Å; A145-Y172 HydrophobicContact CB-CE2 3.66Å; Y172-G175 VanDerWaalsContact CE2-C 3.48Å; Y172-G175 WeakPolarHBondContact OH-CA 3.32Å; Y172-K176 WeakPolarHBondContact CA-O 3Å; Y172-K176 WeakPolarHBondContact CD2-O 3.26Å; Y172-I177 HydrophobicContact CD2-CG2 4.03Å
173	Q	95.1	Very high	96	Very high	38 Å²	38	29.8 Å²	29.8	18%	0.178	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	139.3	-179.8	-156.3	-165.9	10.8	0	0	108.7	G175 K176 Y178	Q173-G175 VanDerWaalsContact C-N 3.3Å; Q173-G175 PolarHBondContact O-N 3.23Å; Q173-K176 PolarHBondContact N-O 2.88Å; Q173-K176 WeakPolarHBondContact O-CA 3.46Å; Q173-K176 PolarHBondContact O-N 2.86Å; Q173-K176 VanDerWaalsContact O-O 3.04Å; Q173-Y178 HydrophobicContact CB-CD2 4.33Å; Q173-Y178 HydrophobicContact CB-CE2 4.05Å
174	D	92.3	Very high	96	Very high	106 Å²	106	27.1 Å²	27.1	57%	0.567	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	41.4	170.4	-39	-42.1	0	0	0	114.8	K176 R186	D174-K176 VanDerWaalsContact C-N 3.26Å; D174-K176 PolarHBondContact O-N 3.02Å; D174-R186 IonicContact OD2-CZ 2.75Å; D174-R186 IonicContact OD2-NH2 3.77Å; D174-R186 PolarHBondContact OD2-NH2 3.47Å
175	G	91.3	Very high	96	Very high	47 Å²	47	28.6 Å²	28.6	49%	0.485	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	4.6	-177.4	0	0	0	0	0	115.2	Y172 Q173	Y172-G175 VanDerWaalsContact CE2-C 3.48Å; Y172-G175 WeakPolarHBondContact OH-CA 3.32Å; Q173-G175 VanDerWaalsContact C-N 3.3Å; Q173-G175 PolarHBondContact O-N 3.23Å
176	K	94.7	Very high	95.8	Very high	117 Å²	117	33.8 Å²	33.8	51%	0.509	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.8	-167.7	-72.8	166.7	-174.7	165.8	0	112.6	Y172 Q173 D174 Y178	Y172-K176 WeakPolarHBondContact CA-O 3Å; Y172-K176 WeakPolarHBondContact CD2-O 3.26Å; Q173-K176 PolarHBondContact N-O 2.88Å; Q173-K176 WeakPolarHBondContact O-CA 3.46Å; Q173-K176 PolarHBondContact O-N 2.86Å; Q173-K176 VanDerWaalsContact O-O 3.04Å; D174-K176 VanDerWaalsContact C-N 3.26Å; D174-K176 PolarHBondContact O-N 3.02Å; K176-Y178 HydrophobicContact CB-CD2 4.48Å; K176-Y178 HydrophobicContact CB-CE2 3.64Å
177	I	96.8	Very high	95.7	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.6	174.6	57.7	179.7	0	0	0	111.1	W151 F156 S159 L165 Y170 Y172	W151-I177 HydrophobicContact CZ2-CD1 4.08Å; W151-I177 HydrophobicContact CZ2-CG2 4.43Å; F156-I177 HydrophobicContact CD2-CD1 3.87Å; F156-I177 HydrophobicContact CE2-CD1 3.75Å; F156-I177 HydrophobicContact CZ-CD1 4.4Å; S159-I177 VanDerWaalsContact CB-O 3.23Å; S159-I177 WeakPolarHBondContact CB-O 3.37Å; S159-I177 PolarHBondContact N-O 3.22Å; S159-I177 PolarHBondContact OG-O 3.31Å; L165-I177 HydrophobicContact CD1-CB 4.24Å; L165-I177 HydrophobicContact CD1-CD1 3.7Å; L165-I177 HydrophobicContact CD1-CG1 4.08Å; Y170-I177 HydrophobicContact CD2-CG2 3.93Å; Y170-I177 HydrophobicContact CG-CG2 4.48Å; Y172-I177 HydrophobicContact CD2-CG2 4.03Å
178	Y	97.7	Very high	95.7	Very high	11 Å²	11	37.4 Å²	37.4	4%	0.043	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.9	179.9	-56	-89.1	0	0	0	110.1	F171 Q173 K176	F171-Y178 PolarHBondContact N-O 3.33Å; F171-Y178 PolarHBondContact O-N 3.14Å; Q173-Y178 HydrophobicContact CB-CD2 4.33Å; Q173-Y178 HydrophobicContact CB-CE2 4.05Å; K176-Y178 HydrophobicContact CB-CD2 4.48Å; K176-Y178 HydrophobicContact CB-CE2 3.64Å
179	C	97.6	Very high	95.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.			trans	-77.4	164.3	164.8	74.2	0	0	0	0	110.7	Q75 C158 L165 R181 H182 H183	Q75-C179 HydrophobicContact CB-CB 3.86Å; Q75-C179 HydrophobicContact CG-CB 3.89Å; C158-C179 HydrophobicContact CB-CB 4.16Å; C158-C179 PolarHBondContact SG-N 2.85Å; L165-C179 HydrophobicContact CD2-CB 3.77Å; C179-R181 VanDerWaalsContact C-N 3.32Å; C179-R181 PolarHBondContact O-N 2.86Å; C179-H182 PolarHBondContact O-N 3.38Å; C179-H182 PolarHBondContact SG-ND1 3.08Å; C179-H183 WeakPolarHBondContact O-CB 3.43Å; C179-H183 PolarHBondContact O-N 3.11Å
180	G	96.1	Very high	95.7	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-41.2	-176.3	0	0	0	0	0	113.7	Q75 R104 F171 H183 A184	Q75-G180 CarbonylContact O-C 3.6Å; Q75-G180 VanDerWaalsContact O-CA 3.23Å; Q75-G180 WeakPolarHBondContact O-CA 3.47Å; Q75-G180 PolarHBondContact O-N 3.47Å; R104-G180 PolarHBondContact NH2-O 3.21Å; F171-G180 VanDerWaalsContact CD2-CA 3.48Å; G180-H183 PolarHBondContact O-N 3.46Å; G180-A184 PolarHBondContact O-N 3.41Å
181	R	97.2	Very high	95.6	Very high	32 Å²	32	37.5 Å²	37.5	12%	0.121	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-56.2	176.8	174.4	171.7	-173.9	124.5	6.3	113	H74 Q75 P77 C179 H183 A184 E185 D195	H74-R181 VanDerWaalsContact CE1-CD 3.47Å; H74-R181 WeakPolarHBondContact CE1-CD 3.46Å; H74-R181 WeakPolarHBondContact O-CB 3.2Å; H74-R181 WeakPolarHBondContact O-CD 3.4Å; Q75-R181 PolarHBondContact O-N 3.1Å; P77-R181 HydrophobicContact CG-CB 4.36Å; C179-R181 VanDerWaalsContact C-N 3.32Å; C179-R181 PolarHBondContact O-N 2.86Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 2.61Å; R181-A184 VanDerWaalsContact O-CB 3.29Å; R181-A184 WeakPolarHBondContact O-CB 3.47Å; R181-A184 PolarHBondContact O-N 2.96Å; R181-E185 WeakPolarHBondContact CG-OE1 3.41Å; R181-E185 IonicContact CZ-OE1 3.29Å; R181-E185 IonicContact NE-OE1 3.68Å; R181-E185 PolarHBondContact NE-OE1 3.03Å; R181-E185 IonicContact NH2-OE1 2.75Å; R181-E185 PolarHBondContact NH2-OE1 2.98Å; R181-E185 WeakPolarHBondContact O-CG 3.45Å; R181-E185 PolarHBondContact O-N 3.49Å; R181-D195 IonicContact CZ-OD1 3.75Å; R181-D195 VanDerWaalsContact CZ-OD1 3.25Å; R181-D195 IonicContact CZ-OD2 3.69Å; R181-D195 VanDerWaalsContact NH1-CG 3.28Å; R181-D195 IonicContact NH1-OD1 3.65Å; R181-D195 PolarHBondContact NH1-OD1 3.42Å; R181-D195 IonicContact NH1-OD2 3.72Å; R181-D195 PolarHBondContact NH1-OD2 3.44Å; R181-D195 IonicContact NH2-OD1 3.19Å; R181-D195 PolarHBondContact NH2-OD1 3.26Å; R181-D195 IonicContact NH2-OD2 3.86Å
182	H	97.4	Very high	95.4	Very high	28 Å²	28	39.4 Å²	39.4	13%	0.13	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-28.4	-177.4	-67.8	103.4	0	0	0	112.5	T160 C161 C179 A184 E185 R186	T160-H182 VanDerWaalsContact CG2-CD2 3.49Å; T160-H182 WeakPolarHBondContact CG2-CD2 3.49Å; C161-H182 VanDerWaalsContact CB-CE1 3.45Å; C161-H182 WeakPolarHBondContact CB-CE1 3.38Å; C161-H182 PolarHBondContact SG-CE1 3.4Å; C179-H182 PolarHBondContact O-N 3.38Å; C179-H182 PolarHBondContact SG-ND1 3.08Å; H182-A184 VanDerWaalsContact C-N 3.32Å; H182-E185 IonicContact CD2-OE2 3.78Å; H182-E185 PolarHBondContact CD2-OE2 3.01Å; H182-E185 IonicContact CG-OE2 2.97Å; H182-E185 IonicContact NE2-OE2 3.22Å; H182-R186 VanDerWaalsContact O-CG 3.31Å; H182-R186 WeakPolarHBondContact O-CG 3.28Å; H182-R186 PolarHBondContact O-N 2.84Å; H182-R186 VanDerWaalsContact O-N 3.11Å
183	H	97.1	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.6	-26.1	170.7	-169.6	-65.9	0	0	0	112.7	R104 N108 F171 C179 G180 R181	R104-H183 PolarHBondContact NE-ND1 3.46Å; N108-H183 WeakPolarHBondContact CB-NE2 3.48Å; N108-H183 VanDerWaalsContact CG-CE1 3.47Å; N108-H183 PolarHBondContact ND2-NE2 3.37Å; N108-H183 PolarHBondContact OD1-CE1 3.41Å; N108-H183 PolarHBondContact OD1-NE2 3.29Å; F171-H183 HydrophobicContact CB-CB 3.82Å; F171-H183 WeakPolarHBondContact CB-CD2 3.25Å; F171-H183 HydrophobicContact CD1-CB 4.39Å; F171-H183 AromaticContact CD1-CG 4Å; F171-H183 HydrophobicContact CG-CB 4.05Å; F171-H183 AromaticContact CG-CG 3.98Å; C179-H183 WeakPolarHBondContact O-CB 3.43Å; C179-H183 PolarHBondContact O-N 3.11Å; G180-H183 PolarHBondContact O-N 3.46Å; R181-H183 VanDerWaalsContact C-N 3.31Å; R181-H183 PolarHBondContact O-N 2.61Å
184	A	96.6	Very high	95.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.8	-49.4	171.7	0	0	0	0	0	110.3	D80 F100 R104 G180 R181 H182 R186 L187 K188 I197	D80-A184 VanDerWaalsContact OD2-CB 3.28Å; D80-A184 WeakPolarHBondContact OD2-CB 3.34Å; F100-A184 HydrophobicContact CE1-CB 4.33Å; F100-A184 HydrophobicContact CZ-CB 4.17Å; R104-A184 VanDerWaalsContact NH1-CB 3.28Å; G180-A184 PolarHBondContact O-N 3.41Å; R181-A184 VanDerWaalsContact O-CB 3.29Å; R181-A184 WeakPolarHBondContact O-CB 3.47Å; R181-A184 PolarHBondContact O-N 2.96Å; H182-A184 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 2.93Å; A184-L187 PolarHBondContact O-N 3.49Å; A184-K188 PolarHBondContact O-N 3.29Å; A184-K188 VanDerWaalsContact O-O 3.13Å; A184-I197 HydrophobicContact CB-CD1 3.64Å; A184-I197 HydrophobicContact CB-CG1 4.03Å
185	E	95.3	Very high	95.2	Very high	61 Å²	61	37 Å²	37	29%	0.285	20%	0.199	S	C	.	.	H	α-helix	trans	-63.4	-21.5	-178.9	-68.1	160.1	174.8	0	0	113.6	R181 H182 L187 K188 R190	R181-E185 WeakPolarHBondContact CG-OE1 3.41Å; R181-E185 IonicContact CZ-OE1 3.29Å; R181-E185 IonicContact NE-OE1 3.68Å; R181-E185 PolarHBondContact NE-OE1 3.03Å; R181-E185 IonicContact NH2-OE1 2.75Å; R181-E185 PolarHBondContact NH2-OE1 2.98Å; R181-E185 WeakPolarHBondContact O-CG 3.45Å; R181-E185 PolarHBondContact O-N 3.49Å; H182-E185 IonicContact CD2-OE2 3.78Å; H182-E185 PolarHBondContact CD2-OE2 3.01Å; H182-E185 IonicContact CG-OE2 2.97Å; H182-E185 IonicContact NE2-OE2 3.22Å; E185-L187 VanDerWaalsContact C-N 3.32Å; E185-K188 WeakPolarHBondContact CA-O 3.48Å; E185-R190 HydrophobicContact CG-CB 4.03Å; E185-R190 WeakPolarHBondContact OE1-CD 3.23Å; E185-R190 IonicContact OE1-CZ 2.65Å; E185-R190 IonicContact OE1-NE 3.33Å; E185-R190 PolarHBondContact OE1-NE 3.18Å; E185-R190 IonicContact OE1-NH2 3.85Å
186	R	94.1	Very high	95.4	Very high	118 Å²	118	35.2 Å²	35.2	45%	0.445	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.4	170.3	-80.1	177.4	66.4	70	-2.7	114.4	D174 H182 A184	D174-R186 IonicContact OD2-CZ 2.75Å; D174-R186 IonicContact OD2-NH2 3.77Å; D174-R186 PolarHBondContact OD2-NH2 3.47Å; H182-R186 VanDerWaalsContact O-CG 3.31Å; H182-R186 WeakPolarHBondContact O-CG 3.28Å; H182-R186 PolarHBondContact O-N 2.84Å; H182-R186 VanDerWaalsContact O-N 3.11Å; A184-R186 PolarHBondContact O-N 2.93Å
187	L	94.1	Very high	95.4	Very high	76 Å²	76	29.9 Å²	29.9	40%	0.398	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-38.7	-169.3	-65.2	176.5	0	0	0	113.6	F100 R104 A184 E185	F100-L187 HydrophobicContact CE2-CB 3.76Å; F100-L187 HydrophobicContact CE2-CD1 4.1Å; F100-L187 HydrophobicContact CZ-CB 4.34Å; R104-L187 HydrophobicContact CG-CD1 3.94Å; A184-L187 PolarHBondContact O-N 3.49Å; E185-L187 VanDerWaalsContact C-N 3.32Å
188	K	95	Very high	95.3	Very high	35 Å²	35	29.6 Å²	29.6	15%	0.152	15%	0.154	C	C	.	.	S	Bend	trans	-138.1	145.4	171.8	-76.1	-89.2	-155.1	170.1	0	107.9	E96 F100 A184 E185 I197 F199	E96-K188 IonicContact OE1-NZ 3.48Å; E96-K188 VanDerWaalsContact OE2-CE 3.32Å; E96-K188 WeakPolarHBondContact OE2-CE 3.4Å; E96-K188 IonicContact OE2-NZ 3.67Å; E96-K188 PolarHBondContact OE2-NZ 3.49Å; F100-K188 HydrophobicContact CE2-CB 4.44Å; F100-K188 HydrophobicContact CE2-CG 4.17Å; A184-K188 PolarHBondContact O-N 3.29Å; A184-K188 VanDerWaalsContact O-O 3.13Å; E185-K188 WeakPolarHBondContact CA-O 3.48Å; K188-I197 HydrophobicContact CB-CG2 3.45Å; K188-I197 VanDerWaalsContact CB-CG2 3.45Å; K188-I197 HydrophobicContact CG-CG2 4.27Å; K188-F199 PolarHBondContact NZ-O 2.69Å
189	P	95.9	Very high	95.2	Very high	18 Å²	18	29.5 Å²	29.5	12%	0.117	15%	0.154	C	C	.	.			trans	-67.8	152.2	-179.4	25.2	-30.2	0	0	0	112.2	I198 H210 L469	P189-I198 HydrophobicContact CB-CD1 4.46Å; P189-I198 HydrophobicContact CG-CB 4.29Å; P189-I198 HydrophobicContact CG-CD1 4.42Å; P189-I198 PolarHBondContact O-N 2.79Å; P189-H210 HydrophobicContact CB-CB 3.72Å; P189-H210 VanDerWaalsContact CB-CG 3.46Å; P189-L469 HydrophobicContact CG-CD1 3.83Å
190	R	95.7	Very high	94.9	Very high	19 Å²	19	31.3 Å²	31.3	7%	0.072	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-105.1	135.1	174.6	-168.1	-176.2	-64.7	-74.3	-6.8	111	D80 E185 D195 E196 I197	D80-R190 IonicContact OD1-CZ 3.25Å; D80-R190 IonicContact OD1-NH1 3.78Å; D80-R190 PolarHBondContact OD1-NH1 3.28Å; D80-R190 IonicContact OD1-NH2 3.05Å; D80-R190 PolarHBondContact OD1-NH2 2.89Å; D80-R190 IonicContact OD2-CZ 3.68Å; D80-R190 IonicContact OD2-NH1 2.66Å; D80-R190 IonicContact OD2-NH2 2.67Å; D80-R190 PolarHBondContact OD2-NH2 2.83Å; E185-R190 HydrophobicContact CG-CB 4.03Å; E185-R190 WeakPolarHBondContact OE1-CD 3.23Å; E185-R190 IonicContact OE1-CZ 2.65Å; E185-R190 IonicContact OE1-NE 3.33Å; E185-R190 PolarHBondContact OE1-NE 3.18Å; E185-R190 IonicContact OE1-NH2 3.85Å; R190-D195 VanDerWaalsContact CD-O 3.31Å; R190-D195 WeakPolarHBondContact CD-O 3.4Å; R190-D195 WeakPolarHBondContact CD-OD1 3.49Å; R190-D195 PolarHBondContact NH1-O 2.87Å; R190-E196 CarbonylContact C-O 3.44Å; R190-E196 WeakPolarHBondContact CA-O 3.43Å; R190-E196 VanDerWaalsContact CG-O 3.28Å; R190-E196 WeakPolarHBondContact CG-O 3.47Å; R190-I197 HydrophobicContact CB-CD1 4.07Å; R190-I197 HydrophobicContact CG-CD1 4.41Å
191	C	94.9	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-73.2	126.2	174.4	176.5	0	0	0	0	111.2	A193 C194 D195 E196 I198 H210 H212 H215	C191-A193 VanDerWaalsContact C-N 3.28Å; C191-A193 PolarHBondContact O-N 3.36Å; C191-C194 VanDerWaalsContact CB-SG 3.6Å; C191-C194 VanDerWaalsContact SG-SG 3.61Å; C191-D195 VanDerWaalsContact O-CA 3.3Å; C191-D195 WeakPolarHBondContact O-CA 3.46Å; C191-D195 PolarHBondContact O-N 3.04Å; C191-E196 PolarHBondContact N-O 3.3Å; C191-I198 HydrophobicContact CB-CD1 4.09Å; C191-I198 HydrophobicContact CB-CG1 3.93Å; C191-H210 WeakPolarHBondContact CA-O 3.41Å; C191-H212 WeakPolarHBondContact CB-ND1 3.45Å; C191-H212 PolarHBondContact SG-N 3.42Å; C191-H212 VanDerWaalsContact SG-N 3.4Å; C191-H215 PolarHBondContact SG-ND1 2.96Å; C191-H215 VanDerWaalsContact SG-ND1 3.41Å
192	T	93.2	Very high	94.3	Very high	54 Å²	54	38.3 Å²	38.3	33%	0.331	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.4	-178.5	-60.5	0	0	0	0	113.9	R209 H210 W211	T192-R209 WeakPolarHBondContact OG1-CB 3.39Å; T192-H210 PolarHBondContact N-O 3.49Å; T192-H210 PolarHBondContact OG1-O 2.72Å; T192-W211 HydrophobicContact CG2-CH2 3.56Å; T192-W211 HydrophobicContact CG2-CZ2 3.94Å; T192-W211 HydrophobicContact CG2-CZ3 3.94Å
193	A	91.4	Very high	94.1	Very high	63 Å²	63	37.1 Å²	37.1	52%	0.521	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-44.8	-175.7	0	0	0	0	0	113.9	C191 W211 H215	C191-A193 VanDerWaalsContact C-N 3.28Å; C191-A193 PolarHBondContact O-N 3.36Å; A193-W211 HydrophobicContact CB-CE3 4.07Å; A193-W211 HydrophobicContact CB-CZ3 4.05Å; A193-H215 HydrophobicContact CB-CB 3.78Å
194	C	92.9	Very high	94	Very high	32 Å²	32	37.2 Å²	37.2	22%	0.216	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-4.9	-177.8	61.3	0	0	0	0	114	C191 E196 H212 H215	C191-C194 VanDerWaalsContact CB-SG 3.6Å; C191-C194 VanDerWaalsContact SG-SG 3.61Å; C194-E196 HydrophobicContact CB-CG 4.44Å; C194-E196 WeakPolarHBondContact CB-OE2 3.45Å; C194-E196 PolarHBondContact O-N 2.86Å; C194-E196 PolarHBondContact SG-OE2 2.86Å; C194-H212 PolarHBondContact SG-ND1 3.21Å; C194-H212 VanDerWaalsContact SG-ND1 3.38Å; C194-H215 PolarHBondContact SG-CE1 3.1Å; C194-H215 PolarHBondContact SG-ND1 3.1Å; C194-H215 VanDerWaalsContact SG-ND1 3.39Å
195	D	94.4	Very high	93.8	Very high	57 Å²	57	40.1 Å²	40.1	31%	0.305	22%	0.215	S	C	.	.			trans	62.8	17.5	-177.9	-151.7	45.2	0	0	0	115	H79 R181 R190 C191	H79-D195 PolarHBondContact NE2-O 2.78Å; R181-D195 IonicContact CZ-OD1 3.75Å; R181-D195 VanDerWaalsContact CZ-OD1 3.25Å; R181-D195 IonicContact CZ-OD2 3.69Å; R181-D195 VanDerWaalsContact NH1-CG 3.28Å; R181-D195 IonicContact NH1-OD1 3.65Å; R181-D195 PolarHBondContact NH1-OD1 3.42Å; R181-D195 IonicContact NH1-OD2 3.72Å; R181-D195 PolarHBondContact NH1-OD2 3.44Å; R181-D195 IonicContact NH2-OD1 3.19Å; R181-D195 PolarHBondContact NH2-OD1 3.26Å; R181-D195 IonicContact NH2-OD2 3.86Å; R190-D195 VanDerWaalsContact CD-O 3.31Å; R190-D195 WeakPolarHBondContact CD-O 3.4Å; R190-D195 WeakPolarHBondContact CD-OD1 3.49Å; R190-D195 PolarHBondContact NH1-O 2.87Å; C191-D195 VanDerWaalsContact O-CA 3.3Å; C191-D195 WeakPolarHBondContact O-CA 3.46Å; C191-D195 PolarHBondContact O-N 3.04Å
196	E	95.1	Very high	93.7	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.047	20%	0.203	C	C	.	.			trans	-98.5	153.7	-179.2	-65.7	163	144.2	0	0	112.9	C86 N87 R190 C191 C194	C86-E196 WeakPolarHBondContact CA-OE1 3.41Å; N87-E196 PolarHBondContact N-OE1 3.04Å; N87-E196 PolarHBondContact ND2-OE1 2.99Å; R190-E196 CarbonylContact C-O 3.44Å; R190-E196 WeakPolarHBondContact CA-O 3.43Å; R190-E196 VanDerWaalsContact CG-O 3.28Å; R190-E196 WeakPolarHBondContact CG-O 3.47Å; C191-E196 PolarHBondContact N-O 3.3Å; C194-E196 HydrophobicContact CB-CG 4.44Å; C194-E196 WeakPolarHBondContact CB-OE2 3.45Å; C194-E196 PolarHBondContact O-N 2.86Å; C194-E196 PolarHBondContact SG-OE2 2.86Å
197	I	95.5	Very high	93.5	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-72.1	130.5	172.2	-64.5	-65	0	0	0	109.9	F100 A184 K188 R190 F199	F100-I197 HydrophobicContact CE1-CG2 4.4Å; F100-I197 HydrophobicContact CZ-CG2 4.45Å; A184-I197 HydrophobicContact CB-CD1 3.64Å; A184-I197 HydrophobicContact CB-CG1 4.03Å; K188-I197 HydrophobicContact CB-CG2 3.45Å; K188-I197 VanDerWaalsContact CB-CG2 3.45Å; K188-I197 HydrophobicContact CG-CG2 4.27Å; R190-I197 HydrophobicContact CB-CD1 4.07Å; R190-I197 HydrophobicContact CG-CD1 4.41Å; I197-F199 HydrophobicContact CB-CE2 3.85Å; I197-F199 HydrophobicContact CB-CZ 4.14Å; I197-F199 HydrophobicContact CG2-CD2 4.25Å; I197-F199 HydrophobicContact CG2-CE1 4.19Å; I197-F199 HydrophobicContact CG2-CE2 3.69Å; I197-F199 HydrophobicContact CG2-CZ 3.65Å; I197-F199 WeakPolarHBondContact O-CD2 3.39Å
198	I	95.2	Very high	93.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.218	C	C	.	.			trans	-82.4	115.6	178.1	-51.2	174.6	0	0	0	108.2	P189 C191 A200 C203 H210	P189-I198 HydrophobicContact CB-CD1 4.46Å; P189-I198 HydrophobicContact CG-CB 4.29Å; P189-I198 HydrophobicContact CG-CD1 4.42Å; P189-I198 PolarHBondContact O-N 2.79Å; C191-I198 HydrophobicContact CB-CD1 4.09Å; C191-I198 HydrophobicContact CB-CG1 3.93Å; I198-A200 HydrophobicContact CG2-CB 4.49Å; I198-C203 HydrophobicContact CD1-CB 3.94Å; I198-C203 HydrophobicContact CG2-CB 4.02Å; I198-H210 HydrophobicContact CD1-CB 4.01Å
199	F	94.5	Very high	93.2	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.035	24%	0.236	C	C	.	.			trans	-92.1	-39.4	176.5	-72.8	-80.3	0	0	0	112.4	E93 E96 L97 F100 K188 I197	E93-F199 HydrophobicContact CB-CB 4.1Å; E93-F199 HydrophobicContact CG-CB 4.08Å; E96-F199 HydrophobicContact CB-CB 4.41Å; E96-F199 HydrophobicContact CB-CD1 3.61Å; E96-F199 HydrophobicContact CB-CE1 4.27Å; E96-F199 HydrophobicContact CB-CG 4.22Å; E96-F199 WeakPolarHBondContact OE2-CD1 3.34Å; L97-F199 HydrophobicContact CB-CD2 4.41Å; L97-F199 HydrophobicContact CB-CE1 4.35Å; L97-F199 HydrophobicContact CB-CE2 3.86Å; L97-F199 HydrophobicContact CB-CZ 3.83Å; L97-F199 HydrophobicContact CD1-CE2 3.82Å; L97-F199 HydrophobicContact CD1-CZ 3.62Å; L97-F199 HydrophobicContact CG-CE2 4.29Å; L97-F199 HydrophobicContact CG-CZ 4.29Å; F100-F199 HydrophobicContact CB-CE1 3.88Å; F100-F199 HydrophobicContact CB-CZ 4.34Å; F100-F199 AromaticContact CD1-CE1 3.98Å; F100-F199 HydrophobicContact CD1-CE1 3.98Å; F100-F199 AromaticContact CD1-CZ 3.74Å; F100-F199 HydrophobicContact CD1-CZ 3.74Å; F100-F199 HydrophobicContact CD2-CE1 4.44Å; F100-F199 HydrophobicContact CE1-CZ 4.17Å; F100-F199 AromaticContact CG-CE1 3.89Å; F100-F199 HydrophobicContact CG-CE1 3.89Å; F100-F199 HydrophobicContact CG-CZ 4.15Å; K188-F199 PolarHBondContact NZ-O 2.69Å; I197-F199 HydrophobicContact CB-CE2 3.85Å; I197-F199 HydrophobicContact CB-CZ 4.14Å; I197-F199 HydrophobicContact CG2-CD2 4.25Å; I197-F199 HydrophobicContact CG2-CE1 4.19Å; I197-F199 HydrophobicContact CG2-CE2 3.69Å; I197-F199 HydrophobicContact CG2-CZ 3.65Å; I197-F199 WeakPolarHBondContact O-CD2 3.39Å
200	A	91.9	Very high	93.1	Very high	39 Å²	39	43.2 Å²	43.2	32%	0.322	24%	0.243	S	C	.	.	S	Bend	trans	-46.1	144.5	175.6	0	0	0	0	0	115.4	E93 I198 E202	E93-A200 PolarHBondContact OE1-N 3.06Å; I198-A200 HydrophobicContact CG2-CB 4.49Å; A200-E202 VanDerWaalsContact C-N 3.3Å; A200-E202 PolarHBondContact O-N 2.91Å
201	D	89.8	Confident	93.1	Very high	116 Å²	116	43.7 Å²	43.7	62%	0.62	25%	0.245	S	C	*	.	S	Bend	trans	-65.1	-27.6	-178.1	-68.2	-51.2	0	0	0	114.5	R470	D201-R470 PolarHBondContact O-N 3.2Å
202	E	90.6	Very high	93	Very high	64 Å²	64	45 Å²	45	30%	0.299	25%	0.251	S	S	.	.			trans	-111.3	130.8	178.5	-57.7	-151.5	161.5	0	0	111.1	A200 M213 R470 Q472	A200-E202 VanDerWaalsContact C-N 3.3Å; A200-E202 PolarHBondContact O-N 2.91Å; E202-M213 HydrophobicContact CB-SD 4.02Å; E202-R470 HydrophobicContact CG-CB 4.35Å; E202-R470 WeakPolarHBondContact OE1-CD 3.48Å; E202-R470 IonicContact OE1-NH1 3.4Å; E202-Q472 PolarHBondContact OE2-NE2 3.32Å
203	C	93.3	Very high	92.9	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.02	25%	0.252	C	S	.	.			trans	-143.2	161	174.1	70.6	0	0	0	0	110.5	I198	I198-C203 HydrophobicContact CD1-CB 3.94Å; I198-C203 HydrophobicContact CG2-CB 4.02Å
204	T	93.9	Very high	92.9	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128	175.9	-50.5	0	0	0	0	109.8	H210 W211 F216	T204-H210 WeakPolarHBondContact O-CA 3.47Å; T204-W211 PolarHBondContact N-O 3.1Å; T204-W211 PolarHBondContact O-N 2.87Å; T204-F216 HydrophobicContact CG2-CB 4.32Å; T204-F216 HydrophobicContact CG2-CD1 3.59Å; T204-F216 HydrophobicContact CG2-CE1 4.14Å; T204-F216 HydrophobicContact CG2-CG 4.04Å
205	E	94.1	Very high	92.8	Very high	60 Å²	60	52.5 Å²	52.5	28%	0.28	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.7	167.6	-171.7	-171.6	172.9	0	0	108.4	R209 T471	E205-R209 CarbonylContact C-O 3.53Å; E205-R209 WeakPolarHBondContact CA-O 3.47Å; E205-T471 HydrophobicContact CB-CG2 3.39Å; E205-T471 HydrophobicContact CG-CG2 4.44Å; E205-T471 WeakPolarHBondContact OE2-CG2 3.21Å
206	A	91.6	Very high	92.9	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	137.7	-179.7	0	0	0	0	0	109.8	G208 R209 W211 F216 Y230	A206-G208 PolarHBondContact O-N 3.18Å; A206-R209 PolarHBondContact N-O 2.78Å; A206-R209 WeakPolarHBondContact O-CA 3.47Å; A206-R209 WeakPolarHBondContact O-CB 3.48Å; A206-R209 PolarHBondContact O-N 3.03Å; A206-R209 VanDerWaalsContact O-O 3.09Å; A206-W211 PolarHBondContact O-NE1 2.96Å; A206-F216 HydrophobicContact CB-CD2 4.21Å; A206-F216 HydrophobicContact CB-CE1 4.01Å; A206-F216 HydrophobicContact CB-CE2 3.53Å; A206-F216 HydrophobicContact CB-CZ 3.42Å; A206-F216 VanDerWaalsContact CB-CZ 3.42Å; A206-Y230 HydrophobicContact CB-CE1 4.22Å
207	E	90.6	Very high	92.9	Very high	108 Å²	108	50.6 Å²	50.6	51%	0.505	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	30.8	-172.7	-52.3	-49.5	130.3	0	0	114.6	R209 Y230 M232	E207-R209 PolarHBondContact O-N 2.76Å; E207-Y230 WeakPolarHBondContact OE1-CE2 3.45Å; E207-Y230 PolarHBondContact OE1-OH 2.97Å; E207-M232 HydrophobicContact CG-SD 3.75Å
208	G	90.1	Very high	92.9	Very high	64 Å²	64	50.5 Å²	50.5	66%	0.66	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	16.8	-173.3	0	0	0	0	0	114	A206	A206-G208 PolarHBondContact O-N 3.18Å
209	R	92.6	Very high	92.9	Very high	139 Å²	139	55.5 Å²	55.5	53%	0.525	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154.8	179.3	-54.7	-170.5	-169	-161.4	4	111.1	T192 E205 A206 E207 W211	T192-R209 WeakPolarHBondContact OG1-CB 3.39Å; E205-R209 CarbonylContact C-O 3.53Å; E205-R209 WeakPolarHBondContact CA-O 3.47Å; A206-R209 PolarHBondContact N-O 2.78Å; A206-R209 WeakPolarHBondContact O-CA 3.47Å; A206-R209 WeakPolarHBondContact O-CB 3.48Å; A206-R209 PolarHBondContact O-N 3.03Å; A206-R209 VanDerWaalsContact O-O 3.09Å; E207-R209 PolarHBondContact O-N 2.76Å; R209-W211 HydrophobicContact CB-CZ2 4.33Å; R209-W211 PolarHBondContact O-NE1 3.13Å
210	H	95.1	Very high	92.9	Very high	60 Å²	60	60.1 Å²	60.1	28%	0.278	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	148.6	179.4	-60.1	82.5	0	0	0	111.4	P189 C191 T192 I198 T204	P189-H210 HydrophobicContact CB-CB 3.72Å; P189-H210 VanDerWaalsContact CB-CG 3.46Å; C191-H210 WeakPolarHBondContact CA-O 3.41Å; T192-H210 PolarHBondContact N-O 3.49Å; T192-H210 PolarHBondContact OG1-O 2.72Å; I198-H210 HydrophobicContact CD1-CB 4.01Å; T204-H210 WeakPolarHBondContact O-CA 3.47Å
211	W	94.6	Very high	93.1	Very high	29 Å²	29	60.8 Å²	60.8	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139.7	-175.8	-48.4	83	0	0	0	110.8	T192 A193 T204 A206 R209 F216	T192-W211 HydrophobicContact CG2-CH2 3.56Å; T192-W211 HydrophobicContact CG2-CZ2 3.94Å; T192-W211 HydrophobicContact CG2-CZ3 3.94Å; A193-W211 HydrophobicContact CB-CE3 4.07Å; A193-W211 HydrophobicContact CB-CZ3 4.05Å; T204-W211 PolarHBondContact N-O 3.1Å; T204-W211 PolarHBondContact O-N 2.87Å; A206-W211 PolarHBondContact O-NE1 2.96Å; R209-W211 HydrophobicContact CB-CZ2 4.33Å; R209-W211 PolarHBondContact O-NE1 3.13Å; W211-F216 HydrophobicContact CB-CB 3.75Å; W211-F216 HydrophobicContact CB-CD2 4.5Å; W211-F216 HydrophobicContact CB-CG 4.45Å; W211-F216 AromaticContact CD1-CD2 3.9Å; W211-F216 AromaticContact CD2-CD2 3.82Å; W211-F216 HydrophobicContact CD2-CD2 3.82Å; W211-F216 AromaticContact CE2-CD2 3.91Å; W211-F216 HydrophobicContact CE3-CD2 4.35Å; W211-F216 HydrophobicContact CG-CB 4.04Å; W211-F216 AromaticContact CG-CD2 3.85Å; W211-F216 HydrophobicContact CG-CD2 3.85Å; W211-F216 HydrophobicContact CG-CG 4.25Å; W211-F216 AromaticContact NE1-CD2 3.95Å
212	H	93.1	Very high	93.3	Very high	28 Å²	28	63.2 Å²	63.2	13%	0.13	31%	0.311	C	S	.	.			trans	-59.5	142.9	160.4	-70.3	126.4	0	0	0	109.1	C191 C194 K214 H215 F216	C191-H212 WeakPolarHBondContact CB-ND1 3.45Å; C191-H212 PolarHBondContact SG-N 3.42Å; C191-H212 VanDerWaalsContact SG-N 3.4Å; C194-H212 PolarHBondContact SG-ND1 3.21Å; C194-H212 VanDerWaalsContact SG-ND1 3.38Å; H212-K214 PolarHBondContact O-N 3.43Å; H212-H215 HydrophobicContact CB-CB 4.23Å; H212-H215 AromaticContact CG-ND1 3.99Å; H212-H215 AromaticContact ND1-CE1 3.7Å; H212-H215 AromaticContact ND1-ND1 3.51Å; H212-H215 WeakPolarHBondContact O-CA 3.44Å; H212-H215 PolarHBondContact O-N 2.95Å; H212-F216 PolarHBondContact O-N 3.34Å
213	M	90.9	Very high	93.6	Very high	70 Å²	70	64 Å²	64	35%	0.345	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-55.6	-39	-179.5	-59.2	175.1	80.7	0	0	112	E202 H215 V224	E202-M213 HydrophobicContact CB-SD 4.02Å; M213-H215 PolarHBondContact O-N 2.9Å; M213-V224 WeakPolarHBondContact O-CG1 3.48Å
214	K	90.4	Very high	93.6	Very high	159 Å²	159	67 Å²	67	69%	0.691	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68	-10.3	176.5	-60.8	172.5	-175.2	164.5	0	114.3	H212 C217	H212-K214 PolarHBondContact O-N 3.43Å; K214-C217 PolarHBondContact O-SG 2.81Å; K214-C217 VanDerWaalsContact O-SG 3.37Å
215	H	92.6	Very high	93.7	Very high	76 Å²	76	67 Å²	67	35%	0.352	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-115.9	-12	-175.3	-61.3	166.4	0	0	0	113.9	C191 A193 C194 H212 M213 C217	C191-H215 PolarHBondContact SG-ND1 2.96Å; C191-H215 VanDerWaalsContact SG-ND1 3.41Å; A193-H215 HydrophobicContact CB-CB 3.78Å; C194-H215 PolarHBondContact SG-CE1 3.1Å; C194-H215 PolarHBondContact SG-ND1 3.1Å; C194-H215 VanDerWaalsContact SG-ND1 3.39Å; H212-H215 HydrophobicContact CB-CB 4.23Å; H212-H215 AromaticContact CG-ND1 3.99Å; H212-H215 AromaticContact ND1-CE1 3.7Å; H212-H215 AromaticContact ND1-ND1 3.51Å; H212-H215 WeakPolarHBondContact O-CA 3.44Å; H212-H215 PolarHBondContact O-N 2.95Å; M213-H215 PolarHBondContact O-N 2.9Å; H215-C217 PolarHBondContact O-N 2.85Å
216	F	95.1	Very high	93.5	Very high	1 Å²	1	64.7 Å²	64.7	0%	0.004	33%	0.331	C	S	.	.	S	Bend	trans	-95.2	78.3	169.8	-166.9	-108.8	0	0	0	109.7	T204 A206 W211 H212 L225 Y230 P237	T204-F216 HydrophobicContact CG2-CB 4.32Å; T204-F216 HydrophobicContact CG2-CD1 3.59Å; T204-F216 HydrophobicContact CG2-CE1 4.14Å; T204-F216 HydrophobicContact CG2-CG 4.04Å; A206-F216 HydrophobicContact CB-CD2 4.21Å; A206-F216 HydrophobicContact CB-CE1 4.01Å; A206-F216 HydrophobicContact CB-CE2 3.53Å; A206-F216 HydrophobicContact CB-CZ 3.42Å; A206-F216 VanDerWaalsContact CB-CZ 3.42Å; W211-F216 HydrophobicContact CB-CB 3.75Å; W211-F216 HydrophobicContact CB-CD2 4.5Å; W211-F216 HydrophobicContact CB-CG 4.45Å; W211-F216 AromaticContact CD1-CD2 3.9Å; W211-F216 AromaticContact CD2-CD2 3.82Å; W211-F216 HydrophobicContact CD2-CD2 3.82Å; W211-F216 AromaticContact CE2-CD2 3.91Å; W211-F216 HydrophobicContact CE3-CD2 4.35Å; W211-F216 HydrophobicContact CG-CB 4.04Å; W211-F216 AromaticContact CG-CD2 3.85Å; W211-F216 HydrophobicContact CG-CD2 3.85Å; W211-F216 HydrophobicContact CG-CG 4.25Å; W211-F216 AromaticContact NE1-CD2 3.95Å; H212-F216 PolarHBondContact O-N 3.34Å; F216-L225 HydrophobicContact CD1-CB 3.52Å; F216-L225 HydrophobicContact CE1-CB 3.49Å; F216-L225 VanDerWaalsContact CE1-CB 3.49Å; F216-L225 HydrophobicContact CE1-CD1 4.28Å; F216-L225 HydrophobicContact CZ-CB 4.49Å; F216-L225 PolarHBondContact O-N 2.74Å; F216-Y230 AromaticContact CE1-CD1 3.79Å; F216-Y230 HydrophobicContact CE1-CD1 3.79Å; F216-Y230 HydrophobicContact CE1-CE1 4.03Å; F216-Y230 HydrophobicContact CE1-CG 4.21Å; F216-Y230 AromaticContact CZ-CD1 3.75Å; F216-Y230 HydrophobicContact CZ-CD1 3.75Å; F216-Y230 HydrophobicContact CZ-CD2 4.04Å; F216-Y230 AromaticContact CZ-CE1 3.75Å; F216-Y230 HydrophobicContact CZ-CE1 3.75Å; F216-Y230 HydrophobicContact CZ-CE2 4.07Å; F216-Y230 AromaticContact CZ-CG 3.91Å; F216-Y230 HydrophobicContact CZ-CG 3.91Å; F216-Y230 AromaticContact CZ-CZ 3.93Å; F216-P237 HydrophobicContact CD2-CG 4.27Å; F216-P237 HydrophobicContact CE2-CB 4.21Å; F216-P237 HydrophobicContact CE2-CG 3.95Å; F216-P237 HydrophobicContact CZ-CB 4.38Å
217	C	95.3	Very high	93.2	Very high	26 Å²	26	66.6 Å²	66.6	18%	0.176	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-122.7	156.2	-172.4	-61.5	0	0	0	0	111.5	K214 H215 F219 E222 T223	K214-C217 PolarHBondContact O-SG 2.81Å; K214-C217 VanDerWaalsContact O-SG 3.37Å; H215-C217 PolarHBondContact O-N 2.85Å; C217-F219 PolarHBondContact O-N 3.48Å; C217-E222 WeakPolarHBondContact CB-O 3.28Å; C217-T223 CarbonylContact C-O 3.56Å; C217-T223 WeakPolarHBondContact CA-O 3.42Å
218	C	95.8	Very high	93.2	Very high	3 Å²	3	67 Å²	67	2%	0.02	35%	0.353	C	S	.	.			trans	-60.8	129	170.3	-178.1	0	0	0	0	110.2	E220 C221 E222 T223 L225 C239	C218-E220 PolarHBondContact O-N 3.17Å; C218-C221 VanDerWaalsContact CB-SG 3.53Å; C218-C221 PolarHBondContact SG-SG 3.26Å; C218-E222 VanDerWaalsContact O-CA 3.24Å; C218-E222 WeakPolarHBondContact O-CA 3.08Å; C218-E222 PolarHBondContact O-N 3.13Å; C218-T223 PolarHBondContact N-O 3.21Å; C218-L225 HydrophobicContact CB-CD1 4.4Å; C218-L225 HydrophobicContact CB-CD2 4.39Å; C218-C239 HydrophobicContact CB-CB 4.22Å; C218-C239 PolarHBondContact SG-N 3.06Å
219	F	94.3	Very high	93.3	Very high	107 Å²	107	69.4 Å²	69.4	47%	0.469	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28	-180	-176.1	-92.9	0	0	0	113.2	C217 R236 P237 Y238	C217-F219 PolarHBondContact O-N 3.48Å; F219-R236 HydrophobicContact CB-CB 4.25Å; F219-R236 HydrophobicContact CD2-CB 4.47Å; F219-R236 HydrophobicContact CD2-CG 4.2Å; F219-R236 VanDerWaalsContact CE1-NH1 3.28Å; F219-R236 HydrophobicContact CG-CB 4.33Å; F219-R236 HydrophobicContact CG-CG 4.45Å; F219-P237 WeakPolarHBondContact CB-O 3.12Å; F219-P237 PolarHBondContact N-O 3.07Å; F219-Y238 HydrophobicContact CB-CE1 4.11Å; F219-Y238 HydrophobicContact CD1-CE1 4.24Å
220	E	96.1	Very high	93.4	Very high	105 Å²	105	64.8 Å²	64.8	49%	0.491	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-37.6	-176.5	-167.5	64.4	-155.9	0	0	113.5	C218 Y238 C242 L246	C218-E220 PolarHBondContact O-N 3.17Å; E220-Y238 HydrophobicContact CB-CD1 4.39Å; E220-Y238 HydrophobicContact CB-CE1 4.4Å; E220-C242 HydrophobicContact CB-CB 3.93Å; E220-C242 HydrophobicContact CG-CB 4.29Å; E220-L246 HydrophobicContact CB-CD1 4.33Å; E220-L246 HydrophobicContact CG-CD1 3.99Å
221	C	95.8	Very high	93.3	Very high	53 Å²	53	64 Å²	64	36%	0.358	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	11.9	-170.3	70.5	0	0	0	0	114.5	C218 T223 C242	C218-C221 VanDerWaalsContact CB-SG 3.53Å; C218-C221 PolarHBondContact SG-SG 3.26Å; C221-T223 PolarHBondContact O-N 3.1Å; C221-T223 PolarHBondContact O-OG1 2.97Å; C221-T223 PolarHBondContact SG-OG1 2.8Å; C221-C242 PolarHBondContact SG-SG 2.87Å
222	E	94.6	Very high	93.2	Very high	167 Å²	167	65.4 Å²	65.4	78%	0.78	33%	0.33	S	S	*	.			trans	53.4	7.2	176.9	-58.2	-173.1	166.5	0	0	116	C217 C218 V224	C217-E222 WeakPolarHBondContact CB-O 3.28Å; C218-E222 VanDerWaalsContact O-CA 3.24Å; C218-E222 WeakPolarHBondContact O-CA 3.08Å; C218-E222 PolarHBondContact O-N 3.13Å; E222-V224 PolarHBondContact O-N 3.43Å
223	T	95	Very high	93	Very high	81 Å²	81	66.9 Å²	66.9	50%	0.497	34%	0.336	S	S	.	.			trans	-70.1	128.3	-177.7	-63.1	0	0	0	0	110.2	C217 C218 C221 L225	C217-T223 CarbonylContact C-O 3.56Å; C217-T223 WeakPolarHBondContact CA-O 3.42Å; C218-T223 PolarHBondContact N-O 3.21Å; C221-T223 PolarHBondContact O-N 3.1Å; C221-T223 PolarHBondContact O-OG1 2.97Å; C221-T223 PolarHBondContact SG-OG1 2.8Å; T223-L225 PolarHBondContact O-N 2.82Å
224	V	94.6	Very high	92.9	Very high	65 Å²	65	71.1 Å²	71.1	39%	0.394	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-58.3	129.3	177.5	173.6	0	0	0	0	110.7	M213 E222	M213-V224 WeakPolarHBondContact O-CG1 3.48Å; E222-V224 PolarHBondContact O-N 3.43Å
225	L	94.8	Very high	92.8	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.016	35%	0.351	C	S	.	.			trans	-101.8	4	-176.9	-63	171.2	0	0	0	113.3	F216 C218 T223 G227 Q228 P237 C239	F216-L225 HydrophobicContact CD1-CB 3.52Å; F216-L225 HydrophobicContact CE1-CB 3.49Å; F216-L225 VanDerWaalsContact CE1-CB 3.49Å; F216-L225 HydrophobicContact CE1-CD1 4.28Å; F216-L225 HydrophobicContact CZ-CB 4.49Å; F216-L225 PolarHBondContact O-N 2.74Å; C218-L225 HydrophobicContact CB-CD1 4.4Å; C218-L225 HydrophobicContact CB-CD2 4.39Å; T223-L225 PolarHBondContact O-N 2.82Å; L225-G227 PolarHBondContact O-N 3.06Å; L225-Q228 PolarHBondContact O-N 3.34Å; L225-P237 HydrophobicContact CD1-CB 3.39Å; L225-C239 HydrophobicContact CD2-CB 3.65Å
226	G	90.5	Very high	92.7	Very high	12 Å²	12	68 Å²	68	12%	0.124	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	121.2	174.2	0	0	0	0	0	111.4	Q228	G226-Q228 PolarHBondContact O-N 2.91Å
227	G	86.4	Confident	92.6	Very high	42 Å²	42	68.9 Å²	68.9	43%	0.433	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	1.5	-175.7	0	0	0	0	0	115.5	L225	L225-G227 PolarHBondContact O-N 3.06Å
228	Q	90	Very high	92.6	Very high	118 Å²	118	68.1 Å²	68.1	55%	0.551	35%	0.353	S	S	*	.	S	Bend	trans	-99.4	163.8	179.5	-58.8	-56.3	-41.9	0	0	111.9	L225 G226	L225-Q228 PolarHBondContact O-N 3.34Å; G226-Q228 PolarHBondContact O-N 2.91Å
229	R	92.8	Very high	92.6	Very high	113 Å²	113	69 Å²	69	43%	0.426	36%	0.359	S	S	.	.			trans	-76.9	132.7	168.8	-65.8	-178.9	64.9	-147.5	1.6	110	D261	R229-D261 IonicContact CZ-OD1 3.26Å; R229-D261 VanDerWaalsContact CZ-OD1 3.26Å; R229-D261 IonicContact CZ-OD2 3.72Å; R229-D261 VanDerWaalsContact NH1-CG 3.25Å; R229-D261 IonicContact NH1-OD1 2.72Å; R229-D261 PolarHBondContact NH1-OD1 3.27Å; R229-D261 IonicContact NH1-OD2 3.4Å; R229-D261 PolarHBondContact NH1-OD2 2.83Å; R229-D261 IonicContact NH2-OD1 2.67Å; R229-D261 PolarHBondContact NH2-OD1 3.25Å; R229-D261 IonicContact NH2-OD2 3.84Å
230	Y	94.1	Very high	92.5	Very high	43 Å²	43	65.1 Å²	65.1	17%	0.169	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	164.4	178	71.7	-90.6	0	0	0	110.5	A206 E207 F216 M232 Y238	A206-Y230 HydrophobicContact CB-CE1 4.22Å; E207-Y230 WeakPolarHBondContact OE1-CE2 3.45Å; E207-Y230 PolarHBondContact OE1-OH 2.97Å; F216-Y230 AromaticContact CE1-CD1 3.79Å; F216-Y230 HydrophobicContact CE1-CD1 3.79Å; F216-Y230 HydrophobicContact CE1-CE1 4.03Å; F216-Y230 HydrophobicContact CE1-CG 4.21Å; F216-Y230 AromaticContact CZ-CD1 3.75Å; F216-Y230 HydrophobicContact CZ-CD1 3.75Å; F216-Y230 HydrophobicContact CZ-CD2 4.04Å; F216-Y230 AromaticContact CZ-CE1 3.75Å; F216-Y230 HydrophobicContact CZ-CE1 3.75Å; F216-Y230 HydrophobicContact CZ-CE2 4.07Å; F216-Y230 AromaticContact CZ-CG 3.91Å; F216-Y230 HydrophobicContact CZ-CG 3.91Å; F216-Y230 AromaticContact CZ-CZ 3.93Å; Y230-M232 HydrophobicContact CD2-CE 4.11Å; Y230-M232 HydrophobicContact CE2-CB 4.39Å; Y230-M232 HydrophobicContact CE2-CE 3.96Å; Y230-Y238 CarbonylContact C-O 3.56Å; Y230-Y238 VanDerWaalsContact CA-O 3.23Å; Y230-Y238 WeakPolarHBondContact CA-O 3.17Å; Y230-Y238 WeakPolarHBondContact CB-O 3.41Å
231	I	92.7	Very high	92.3	Very high	42 Å²	42	63.8 Å²	63.8	22%	0.215	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.3	165.2	-65.7	172.3	0	0	0	108.5	Y238 F243 I260	I231-Y238 PolarHBondContact N-O 2.96Å; I231-Y238 PolarHBondContact O-N 2.75Å; I231-F243 HydrophobicContact CB-CD2 3.8Å; I231-F243 HydrophobicContact CB-CE2 4.13Å; I231-F243 HydrophobicContact CB-CG 4.2Å; I231-F243 HydrophobicContact CD1-CB 4.19Å; I231-F243 HydrophobicContact CD1-CD1 3.52Å; I231-F243 HydrophobicContact CD1-CD2 3.99Å; I231-F243 HydrophobicContact CD1-CE1 3.83Å; I231-F243 HydrophobicContact CD1-CE2 4.28Å; I231-F243 HydrophobicContact CD1-CG 3.61Å; I231-F243 HydrophobicContact CD1-CZ 4.2Å; I231-F243 HydrophobicContact CG1-CD2 4.49Å; I231-F243 HydrophobicContact CG1-CG 4.45Å; I231-F243 HydrophobicContact CG2-CD2 3.65Å; I231-F243 HydrophobicContact CG2-CE2 3.45Å; I231-F243 VanDerWaalsContact CG2-CE2 3.45Å; I231-F243 HydrophobicContact CG2-CG 4.39Å; I231-F243 HydrophobicContact CG2-CZ 4.03Å; I231-I260 HydrophobicContact CD1-CD1 3.46Å; I231-I260 VanDerWaalsContact CD1-CD1 3.46Å; I231-I260 HydrophobicContact CD1-CG1 3.79Å; I231-I260 HydrophobicContact CD1-CG2 4.07Å
232	M	92.1	Very high	92.3	Very high	59 Å²	59	62.2 Å²	62.2	29%	0.291	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.4	170	-164.5	103.8	-43.4	0	0	109.4	E207 Y230 P237	E207-M232 HydrophobicContact CG-SD 3.75Å; Y230-M232 HydrophobicContact CD2-CE 4.11Å; Y230-M232 HydrophobicContact CE2-CB 4.39Å; Y230-M232 HydrophobicContact CE2-CE 3.96Å; M232-P237 HydrophobicContact CE-CB 3.84Å; M232-P237 HydrophobicContact CE-CG 3.81Å
233	K	89.7	Confident	92.3	Very high	59 Å²	59	56.2 Å²	56.2	26%	0.257	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128	171.6	179	172.8	174.9	172.3	0	109.2	G235 R236 Y238 F243 Y247	K233-G235 PolarHBondContact O-N 3.09Å; K233-G235 VanDerWaalsContact O-N 3.08Å; K233-R236 PolarHBondContact N-O 2.88Å; K233-R236 WeakPolarHBondContact O-CB 3.43Å; K233-R236 PolarHBondContact O-N 3.36Å; K233-Y238 HydrophobicContact CB-CD2 4.19Å; K233-Y238 HydrophobicContact CB-CE2 4.09Å; K233-F243 HydrophobicContact CB-CE2 4.24Å; K233-F243 HydrophobicContact CD-CE2 4.05Å; K233-Y247 HydrophobicContact CD-CD2 4.12Å; K233-Y247 HydrophobicContact CD-CE1 4.4Å; K233-Y247 HydrophobicContact CD-CE2 3.7Å
234	E	89.2	Confident	92.1	Very high	160 Å²	160	54.5 Å²	54.5	75%	0.748	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	33.5	-179.9	-64.4	154.2	-129	0	0	113	R236	E234-R236 VanDerWaalsContact C-N 3.26Å; E234-R236 PolarHBondContact O-N 2.94Å
235	G	87.3	Confident	91.8	Very high	58 Å²	58	55.8 Å²	55.8	60%	0.598	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	6.6	-176.3	0	0	0	0	0	115.5	K233	K233-G235 PolarHBondContact O-N 3.09Å; K233-G235 VanDerWaalsContact O-N 3.08Å
236	R	90.9	Very high	91.6	Very high	112 Å²	112	59.1 Å²	59.1	42%	0.423	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.9	179	-63.5	178.4	-179.9	-176.1	2	111.3	F219 K233 E234 Y238	F219-R236 HydrophobicContact CB-CB 4.25Å; F219-R236 HydrophobicContact CD2-CB 4.47Å; F219-R236 HydrophobicContact CD2-CG 4.2Å; F219-R236 VanDerWaalsContact CE1-NH1 3.28Å; F219-R236 HydrophobicContact CG-CB 4.33Å; F219-R236 HydrophobicContact CG-CG 4.45Å; K233-R236 PolarHBondContact N-O 2.88Å; K233-R236 WeakPolarHBondContact O-CB 3.43Å; K233-R236 PolarHBondContact O-N 3.36Å; E234-R236 VanDerWaalsContact C-N 3.26Å; E234-R236 PolarHBondContact O-N 2.94Å; R236-Y238 HydrophobicContact CB-CE2 3.77Å
237	P	93.8	Very high	91.4	Very high	18 Å²	18	62.3 Å²	62.3	12%	0.117	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	137.3	173.7	-7.7	23.9	0	0	0	111.6	F216 F219 L225 M232	F216-P237 HydrophobicContact CD2-CG 4.27Å; F216-P237 HydrophobicContact CE2-CB 4.21Å; F216-P237 HydrophobicContact CE2-CG 3.95Å; F216-P237 HydrophobicContact CZ-CB 4.38Å; F219-P237 WeakPolarHBondContact CB-O 3.12Å; F219-P237 PolarHBondContact N-O 3.07Å; L225-P237 HydrophobicContact CD1-CB 3.39Å; M232-P237 HydrophobicContact CE-CB 3.84Å; M232-P237 HydrophobicContact CE-CG 3.81Å
238	Y	94.6	Very high	91.5	Very high	11 Å²	11	61.1 Å²	61.1	4%	0.043	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.4	168.2	-66.4	-92.3	0	0	0	109.7	F219 E220 Y230 I231 K233 R236 L246 Y247	F219-Y238 HydrophobicContact CB-CE1 4.11Å; F219-Y238 HydrophobicContact CD1-CE1 4.24Å; E220-Y238 HydrophobicContact CB-CD1 4.39Å; E220-Y238 HydrophobicContact CB-CE1 4.4Å; Y230-Y238 CarbonylContact C-O 3.56Å; Y230-Y238 VanDerWaalsContact CA-O 3.23Å; Y230-Y238 WeakPolarHBondContact CA-O 3.17Å; Y230-Y238 WeakPolarHBondContact CB-O 3.41Å; I231-Y238 PolarHBondContact N-O 2.96Å; I231-Y238 PolarHBondContact O-N 2.75Å; K233-Y238 HydrophobicContact CB-CD2 4.19Å; K233-Y238 HydrophobicContact CB-CE2 4.09Å; R236-Y238 HydrophobicContact CB-CE2 3.77Å; Y238-L246 HydrophobicContact CD1-CD1 4.22Å; Y238-L246 HydrophobicContact CE1-CD1 3.95Å; Y238-Y247 HydrophobicContact CE1-CE2 4.44Å
239	C	95.4	Very high	91.6	Very high	22 Å²	22	60.1 Å²	60.1	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	154.8	164.6	73.6	0	0	0	0	109.5	C218 L225 S241 C242 F243	C218-C239 HydrophobicContact CB-CB 4.22Å; C218-C239 PolarHBondContact SG-N 3.06Å; L225-C239 HydrophobicContact CD2-CB 3.65Å; C239-S241 VanDerWaalsContact C-N 3.3Å; C239-S241 PolarHBondContact O-N 3.3Å; C239-C242 PolarHBondContact O-N 2.95Å; C239-C242 PolarHBondContact SG-N 3.4Å; C239-C242 VanDerWaalsContact SG-N 3.38Å; C239-F243 WeakPolarHBondContact O-CB 3.24Å; C239-F243 PolarHBondContact O-N 3.04Å
240	C	92.6	Very high	91.5	Very high	25 Å²	25	61.9 Å²	61.9	17%	0.169	32%	0.322	C	S	.	.	H	α-helix	trans	-52.7	-45.9	-178.8	-63.3	0	0	0	0	112.6	C242 F243 E244 I260	C240-C242 PolarHBondContact O-N 3Å; C240-F243 PolarHBondContact O-N 3.5Å; C240-E244 WeakPolarHBondContact O-CB 3.45Å; C240-E244 WeakPolarHBondContact O-CG 3.26Å; C240-E244 PolarHBondContact O-N 2.78Å; C240-I260 HydrophobicContact CB-CD1 3.66Å
241	S	92.4	Very high	91.5	Very high	77 Å²	77	59.9 Å²	59.9	54%	0.538	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-39.5	-178.4	175.8	0	0	0	0	113.8	C239 S245	C239-S241 VanDerWaalsContact C-N 3.3Å; C239-S241 PolarHBondContact O-N 3.3Å; S241-S245 VanDerWaalsContact O-CB 3.32Å; S241-S245 WeakPolarHBondContact O-CB 3.46Å; S241-S245 PolarHBondContact O-N 2.93Å; S241-S245 PolarHBondContact O-OG 2.82Å
242	C	94.9	Very high	91.5	Very high	19 Å²	19	62.3 Å²	62.3	13%	0.128	33%	0.327	C	S	.	.	H	α-helix	trans	-71.7	-37.4	173.2	-70.9	0	0	0	0	111.8	E220 C221 C239 C240 S245 L246	E220-C242 HydrophobicContact CB-CB 3.93Å; E220-C242 HydrophobicContact CG-CB 4.29Å; C221-C242 PolarHBondContact SG-SG 2.87Å; C239-C242 PolarHBondContact O-N 2.95Å; C239-C242 PolarHBondContact SG-N 3.4Å; C239-C242 VanDerWaalsContact SG-N 3.38Å; C240-C242 PolarHBondContact O-N 3Å; C242-S245 PolarHBondContact O-N 3.16Å; C242-L246 WeakPolarHBondContact O-CB 3.24Å; C242-L246 VanDerWaalsContact O-CG 3.24Å; C242-L246 WeakPolarHBondContact O-CG 3.33Å; C242-L246 PolarHBondContact O-N 3.05Å
243	F	93.8	Very high	91.4	Very high	41 Å²	41	62.1 Å²	62.1	18%	0.18	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-42.8	175.8	-171.3	-81.9	0	0	0	111.4	I231 K233 C239 C240 L246 Y247 I260	I231-F243 HydrophobicContact CB-CD2 3.8Å; I231-F243 HydrophobicContact CB-CE2 4.13Å; I231-F243 HydrophobicContact CB-CG 4.2Å; I231-F243 HydrophobicContact CD1-CB 4.19Å; I231-F243 HydrophobicContact CD1-CD1 3.52Å; I231-F243 HydrophobicContact CD1-CD2 3.99Å; I231-F243 HydrophobicContact CD1-CE1 3.83Å; I231-F243 HydrophobicContact CD1-CE2 4.28Å; I231-F243 HydrophobicContact CD1-CG 3.61Å; I231-F243 HydrophobicContact CD1-CZ 4.2Å; I231-F243 HydrophobicContact CG1-CD2 4.49Å; I231-F243 HydrophobicContact CG1-CG 4.45Å; I231-F243 HydrophobicContact CG2-CD2 3.65Å; I231-F243 HydrophobicContact CG2-CE2 3.45Å; I231-F243 VanDerWaalsContact CG2-CE2 3.45Å; I231-F243 HydrophobicContact CG2-CG 4.39Å; I231-F243 HydrophobicContact CG2-CZ 4.03Å; K233-F243 HydrophobicContact CB-CE2 4.24Å; K233-F243 HydrophobicContact CD-CE2 4.05Å; C239-F243 WeakPolarHBondContact O-CB 3.24Å; C239-F243 PolarHBondContact O-N 3.04Å; C240-F243 PolarHBondContact O-N 3.5Å; F243-L246 PolarHBondContact O-N 2.87Å; F243-Y247 HydrophobicContact CD1-CD2 4.24Å; F243-Y247 AromaticContact CD2-CD2 3.52Å; F243-Y247 HydrophobicContact CD2-CD2 3.52Å; F243-Y247 AromaticContact CD2-CE2 3.95Å; F243-Y247 HydrophobicContact CD2-CE2 3.95Å; F243-Y247 HydrophobicContact CE1-CD2 4.28Å; F243-Y247 AromaticContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CE2 4.11Å; F243-Y247 HydrophobicContact CE2-CG 4.46Å; F243-Y247 AromaticContact CG-CD2 3.87Å; F243-Y247 HydrophobicContact CG-CD2 3.87Å; F243-Y247 AromaticContact CZ-CD2 3.96Å; F243-Y247 HydrophobicContact CZ-CD2 3.96Å; F243-Y247 HydrophobicContact CZ-CG 4.48Å; F243-Y247 WeakPolarHBondContact O-CA 3.4Å; F243-Y247 WeakPolarHBondContact O-CB 3.33Å; F243-Y247 WeakPolarHBondContact O-CD2 3.34Å; F243-Y247 PolarHBondContact O-N 2.85Å; F243-I260 HydrophobicContact CB-CD1 4.37Å; F243-I260 HydrophobicContact CD1-CD1 4.1Å; F243-I260 HydrophobicContact CD1-CG1 4.16Å
244	E	91.1	Very high	91.5	Very high	45 Å²	45	62.3 Å²	62.3	21%	0.21	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-46.7	174.1	-72.2	167.1	155.9	0	0	111.2	C240 L246 Y247 A248 G259 I260	C240-E244 WeakPolarHBondContact O-CB 3.45Å; C240-E244 WeakPolarHBondContact O-CG 3.26Å; C240-E244 PolarHBondContact O-N 2.78Å; E244-L246 PolarHBondContact O-N 3.27Å; E244-Y247 PolarHBondContact O-N 3.45Å; E244-A248 HydrophobicContact CB-CB 4.18Å; E244-A248 WeakPolarHBondContact O-CB 3.48Å; E244-A248 PolarHBondContact O-N 3.29Å; E244-G259 WeakPolarHBondContact OE1-CA 3.18Å; E244-I260 HydrophobicContact CG-CD1 3.62Å; E244-I260 HydrophobicContact CG-CG1 3.73Å; E244-I260 PolarHBondContact OE1-N 2.8Å
245	S	89.5	Confident	91.6	Very high	93 Å²	93	57.2 Å²	57.2	65%	0.65	33%	0.33	S	S	*	.	H	α-helix	trans	-63.6	-23.3	-179.6	-57.2	0	0	0	0	114.2	S241 C242	S241-S245 VanDerWaalsContact O-CB 3.32Å; S241-S245 WeakPolarHBondContact O-CB 3.46Å; S241-S245 PolarHBondContact O-N 2.93Å; S241-S245 PolarHBondContact O-OG 2.82Å; C242-S245 PolarHBondContact O-N 3.16Å
246	L	89.1	Confident	91.7	Very high	73 Å²	73	60 Å²	60	38%	0.382	33%	0.327	S	S	.	.	H	α-helix	trans	-102.8	-27.5	-178.6	-67.6	172.7	0	0	0	113.8	E220 Y238 C242 F243 E244	E220-L246 HydrophobicContact CB-CD1 4.33Å; E220-L246 HydrophobicContact CG-CD1 3.99Å; Y238-L246 HydrophobicContact CD1-CD1 4.22Å; Y238-L246 HydrophobicContact CE1-CD1 3.95Å; C242-L246 WeakPolarHBondContact O-CB 3.24Å; C242-L246 VanDerWaalsContact O-CG 3.24Å; C242-L246 WeakPolarHBondContact O-CG 3.33Å; C242-L246 PolarHBondContact O-N 3.05Å; F243-L246 PolarHBondContact O-N 2.87Å; E244-L246 PolarHBondContact O-N 3.27Å
247	Y	88.2	Confident	91.6	Very high	79 Å²	79	58.8 Å²	58.8	31%	0.31	33%	0.326	S	S	.	.	H	α-helix	trans	-141.4	3.5	-166.4	-45.2	-58.1	0	0	0	115.3	K233 Y238 F243 E244	K233-Y247 HydrophobicContact CD-CD2 4.12Å; K233-Y247 HydrophobicContact CD-CE1 4.4Å; K233-Y247 HydrophobicContact CD-CE2 3.7Å; Y238-Y247 HydrophobicContact CE1-CE2 4.44Å; F243-Y247 HydrophobicContact CD1-CD2 4.24Å; F243-Y247 AromaticContact CD2-CD2 3.52Å; F243-Y247 HydrophobicContact CD2-CD2 3.52Å; F243-Y247 AromaticContact CD2-CE2 3.95Å; F243-Y247 HydrophobicContact CD2-CE2 3.95Å; F243-Y247 HydrophobicContact CE1-CD2 4.28Å; F243-Y247 AromaticContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CD2 3.56Å; F243-Y247 HydrophobicContact CE2-CE2 4.11Å; F243-Y247 HydrophobicContact CE2-CG 4.46Å; F243-Y247 AromaticContact CG-CD2 3.87Å; F243-Y247 HydrophobicContact CG-CD2 3.87Å; F243-Y247 AromaticContact CZ-CD2 3.96Å; F243-Y247 HydrophobicContact CZ-CD2 3.96Å; F243-Y247 HydrophobicContact CZ-CG 4.48Å; F243-Y247 WeakPolarHBondContact O-CA 3.4Å; F243-Y247 WeakPolarHBondContact O-CB 3.33Å; F243-Y247 WeakPolarHBondContact O-CD2 3.34Å; F243-Y247 PolarHBondContact O-N 2.85Å; E244-Y247 PolarHBondContact O-N 3.45Å
248	A	88.1	Confident	91.5	Very high	16 Å²	16	58.5 Å²	58.5	13%	0.132	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-74.6	134.3	171.7	0	0	0	0	0	110.8	E244 H257	E244-A248 HydrophobicContact CB-CB 4.18Å; E244-A248 WeakPolarHBondContact O-CB 3.48Å; E244-A248 PolarHBondContact O-N 3.29Å; A248-H257 HydrophobicContact CB-CB 3.99Å
249	E	90.6	Very high	91.1	Very high	97 Å²	97	58.1 Å²	58.1	45%	0.453	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-74	152.1	170.3	-65	-62	166	0	0	111	I258 H271	E249-I258 WeakPolarHBondContact O-CG1 3.42Å; E249-I258 PolarHBondContact O-N 3.13Å; E249-H271 HydrophobicContact CB-CB 4.18Å; E249-H271 VanDerWaalsContact CB-CD2 3.48Å; E249-H271 WeakPolarHBondContact CB-CD2 3.48Å; E249-H271 VanDerWaalsContact CG-CD2 3.44Å; E249-H271 WeakPolarHBondContact CG-CD2 3.32Å; E249-H271 IonicContact OE2-CD2 3.51Å; E249-H271 IonicContact OE2-NE2 3.97Å
250	Y	92.1	Very high	90.7	Very high	151 Å²	151	60.1 Å²	60.1	59%	0.592	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-92.8	144.3	179.5	-64.1	-89.3	0	0	0	111.4	D252	Y250-D252 PolarHBondContact O-N 3.28Å
251	C	93.9	Very high	90.4	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	35%	0.348	C	S	.	.			trans	-82.2	113	178	176.1	0	0	0	0	111.7	S253 C254 G255 E256 I258 H271 H273	C251-S253 PolarHBondContact O-N 2.83Å; C251-C254 PolarHBondContact O-N 2.86Å; C251-C254 VanDerWaalsContact O-N 3.07Å; C251-C254 VanDerWaalsContact SG-SG 3.67Å; C251-G255 PolarHBondContact O-N 3.25Å; C251-E256 WeakPolarHBondContact CB-O 3.37Å; C251-E256 PolarHBondContact N-O 3.19Å; C251-I258 HydrophobicContact CB-CD1 4.23Å; C251-I258 HydrophobicContact CB-CG1 4.03Å; C251-H271 CarbonylContact C-O 3.56Å; C251-H271 VanDerWaalsContact CA-O 3.3Å; C251-H271 WeakPolarHBondContact CA-O 3.4Å; C251-H273 WeakPolarHBondContact CB-CE1 3.31Å; C251-H273 VanDerWaalsContact CB-ND1 3.29Å; C251-H273 WeakPolarHBondContact CB-ND1 3.28Å; C251-H273 PolarHBondContact SG-ND1 3.03Å
252	D	91.8	Very high	90.1	Very high	93 Å²	93	64.3 Å²	64.3	50%	0.497	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.7	179.6	-74.6	-78.8	0	0	0	114.2	Y250 Q270 H271	Y250-D252 PolarHBondContact O-N 3.28Å; D252-Q270 VanDerWaalsContact OD2-CA 3.32Å; D252-Q270 WeakPolarHBondContact OD2-CA 3.49Å; D252-Q270 VanDerWaalsContact OD2-CB 3.23Å; D252-Q270 WeakPolarHBondContact OD2-CB 3.31Å; D252-H271 PolarHBondContact N-O 3.04Å; D252-H271 PolarHBondContact OD2-N 3.12Å
253	S	91	Very high	89.7	Confident	55 Å²	55	65.7 Å²	65.7	39%	0.385	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-16.4	179.5	-74.7	0	0	0	0	114.9	C251 W272 C278	C251-S253 PolarHBondContact O-N 2.83Å; S253-W272 PolarHBondContact OG-NE1 3.1Å; S253-C278 VanDerWaalsContact CB-O 3.25Å; S253-C278 WeakPolarHBondContact CB-O 3.45Å; S253-C278 PolarHBondContact OG-O 3.06Å
254	C	92.4	Very high	89.6	Confident	63 Å²	63	68 Å²	68	43%	0.426	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	-6.9	-178.8	76.5	0	0	0	0	116	C251 E256 H273	C251-C254 PolarHBondContact O-N 2.86Å; C251-C254 VanDerWaalsContact O-N 3.07Å; C251-C254 VanDerWaalsContact SG-SG 3.67Å; C254-E256 PolarHBondContact O-N 2.88Å; C254-H273 VanDerWaalsContact SG-CE1 3.56Å
255	G	89.6	Confident	89.6	Confident	52 Å²	52	68.5 Å²	68.5	54%	0.536	38%	0.375	S	S	.	.	S	Bend	trans	77.4	-7.9	178.6	0	0	0	0	0	115.7	C251	C251-G255 PolarHBondContact O-N 3.25Å
256	E	90.1	Very high	89.8	Confident	117 Å²	117	68.2 Å²	68.2	55%	0.547	37%	0.369	S	S	.	.			trans	-85	154.4	179.6	-63.6	-62	163.5	0	0	112.2	C251 C254	C251-E256 WeakPolarHBondContact CB-O 3.37Å; C251-E256 PolarHBondContact N-O 3.19Å; C254-E256 PolarHBondContact O-N 2.88Å
257	H	89.9	Confident	89.9	Confident	86 Å²	86	69.2 Å²	69.2	40%	0.398	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-67.4	145.5	177.1	52.1	-84.8	0	0	0	112	A248 G259 H273	A248-H257 HydrophobicContact CB-CB 3.99Å; H257-G259 PolarHBondContact O-N 2.82Å; H257-H273 PolarHBondContact O-NE2 2.75Å
258	I	90.8	Very high	90	Very high	12 Å²	12	71.9 Å²	71.9	6%	0.062	39%	0.389	C	S	.	.			trans	-92.6	97.4	176.1	-53.5	175.1	0	0	0	107.5	E249 C251 Q262 Q264 H271	E249-I258 WeakPolarHBondContact O-CG1 3.42Å; E249-I258 PolarHBondContact O-N 3.13Å; C251-I258 HydrophobicContact CB-CD1 4.23Å; C251-I258 HydrophobicContact CB-CG1 4.03Å; I258-Q262 HydrophobicContact CG2-CB 4.39Å; I258-Q264 HydrophobicContact CD1-CG 3.9Å; I258-Q264 HydrophobicContact CG2-CB 4.01Å; I258-Q264 HydrophobicContact CG2-CG 4.14Å; I258-H271 HydrophobicContact CD1-CB 3.9Å
259	G	86.8	Confident	90.1	Very high	3 Å²	3	74.4 Å²	74.4	3%	0.031	42%	0.416	C	S	.	.			trans	-65.4	159	-178	0	0	0	0	0	113.4	E244 H257 D261 Q262	E244-G259 WeakPolarHBondContact OE1-CA 3.18Å; H257-G259 PolarHBondContact O-N 2.82Å; G259-D261 PolarHBondContact O-N 3.11Å; G259-D261 VanDerWaalsContact O-N 3.16Å; G259-Q262 WeakPolarHBondContact O-CB 3.47Å; G259-Q262 PolarHBondContact O-N 2.66Å
260	I	86.3	Confident	90.2	Very high	64 Å²	64	71.8 Å²	71.8	33%	0.328	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.8	-171.3	-64.3	150.4	0	0	0	112.6	I231 C240 F243 E244 Q262	I231-I260 HydrophobicContact CD1-CD1 3.46Å; I231-I260 VanDerWaalsContact CD1-CD1 3.46Å; I231-I260 HydrophobicContact CD1-CG1 3.79Å; I231-I260 HydrophobicContact CD1-CG2 4.07Å; C240-I260 HydrophobicContact CB-CD1 3.66Å; F243-I260 HydrophobicContact CB-CD1 4.37Å; F243-I260 HydrophobicContact CD1-CD1 4.1Å; F243-I260 HydrophobicContact CD1-CG1 4.16Å; E244-I260 HydrophobicContact CG-CD1 3.62Å; E244-I260 HydrophobicContact CG-CG1 3.73Å; E244-I260 PolarHBondContact OE1-N 2.8Å; I260-Q262 VanDerWaalsContact C-N 3.31Å
261	D	85.4	Confident	90.3	Very high	97 Å²	97	66.3 Å²	66.3	52%	0.519	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.9	-179	-63	-40.5	0	0	0	113.5	R229 G259	R229-D261 IonicContact CZ-OD1 3.26Å; R229-D261 VanDerWaalsContact CZ-OD1 3.26Å; R229-D261 IonicContact CZ-OD2 3.72Å; R229-D261 VanDerWaalsContact NH1-CG 3.25Å; R229-D261 IonicContact NH1-OD1 2.72Å; R229-D261 PolarHBondContact NH1-OD1 3.27Å; R229-D261 IonicContact NH1-OD2 3.4Å; R229-D261 PolarHBondContact NH1-OD2 2.83Å; R229-D261 IonicContact NH2-OD1 2.67Å; R229-D261 PolarHBondContact NH2-OD1 3.25Å; R229-D261 IonicContact NH2-OD2 3.84Å; G259-D261 PolarHBondContact O-N 3.11Å; G259-D261 VanDerWaalsContact O-N 3.16Å
262	Q	86.6	Confident	90.4	Very high	94 Å²	94	66.5 Å²	66.5	44%	0.439	38%	0.384	S	S	.	.	S	Bend	trans	-96.4	128.2	-176.1	-53.4	-173.5	49.1	0	0	109.4	I258 G259 I260 Q264 H273	I258-Q262 HydrophobicContact CG2-CB 4.39Å; G259-Q262 WeakPolarHBondContact O-CB 3.47Å; G259-Q262 PolarHBondContact O-N 2.66Å; I260-Q262 VanDerWaalsContact C-N 3.31Å; Q262-Q264 PolarHBondContact O-N 3Å; Q262-H273 PolarHBondContact OE1-CD2 3.4Å
263	G	87.6	Confident	90.5	Very high	48 Å²	48	62.7 Å²	62.7	50%	0.495	36%	0.363	S	S	.	.			trans	-57.6	138.4	173.5	0	0	0	0	0	110.8	H273 A274	G263-H273 CarbonylContact O-C 3.52Å; G263-A274 VanDerWaalsContact C-CB 3.49Å; G263-A274 VanDerWaalsContact O-CB 3.3Å; G263-A274 WeakPolarHBondContact O-CB 3.37Å; G263-A274 PolarHBondContact O-N 3.29Å
264	Q	91.8	Very high	90.6	Very high	89 Å²	89	61.8 Å²	61.8	42%	0.416	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.2	179.7	-171.6	-179.8	11.2	0	0	110	I258 Q262 T266 H271	I258-Q264 HydrophobicContact CD1-CG 3.9Å; I258-Q264 HydrophobicContact CG2-CB 4.01Å; I258-Q264 HydrophobicContact CG2-CG 4.14Å; Q262-Q264 PolarHBondContact O-N 3Å; Q264-T266 HydrophobicContact CG-CG2 3.72Å; Q264-H271 PolarHBondContact NE2-ND1 3.03Å
265	M	91.3	Very high	90.7	Very high	56 Å²	56	62 Å²	62	28%	0.276	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.6	165.2	-61.2	-60.2	-60.8	0	0	108.3	W272 A274 F279 L289	M265-W272 HydrophobicContact CB-CB 4.43Å; M265-W272 HydrophobicContact CB-CE3 4.4Å; M265-W272 PolarHBondContact N-O 3.01Å; M265-W272 PolarHBondContact O-N 3.25Å; M265-A274 HydrophobicContact CG-CB 3.87Å; M265-A274 HydrophobicContact SD-CB 4.13Å; M265-F279 HydrophobicContact CB-CB 4.4Å; M265-F279 HydrophobicContact CB-CD1 4.48Å; M265-F279 HydrophobicContact CB-CD2 3.5Å; M265-F279 VanDerWaalsContact CB-CD2 3.5Å; M265-F279 HydrophobicContact CB-CE2 3.81Å; M265-F279 HydrophobicContact CB-CG 3.88Å; M265-F279 HydrophobicContact CB-CZ 4.43Å; M265-F279 HydrophobicContact CE-CD1 4.03Å; M265-F279 HydrophobicContact CE-CE1 3.69Å; M265-F279 HydrophobicContact CE-CE2 4.39Å; M265-F279 HydrophobicContact CE-CZ 3.9Å; M265-F279 HydrophobicContact CG-CB 3.98Å; M265-F279 HydrophobicContact CG-CD1 4.01Å; M265-F279 HydrophobicContact CG-CD2 3.86Å; M265-F279 HydrophobicContact CG-CE2 4.37Å; M265-F279 HydrophobicContact CG-CG 3.67Å; M265-L289 HydrophobicContact CG-CD2 3.83Å; M265-L289 HydrophobicContact SD-CD2 3.9Å
266	T	93.1	Very high	90.8	Very high	86 Å²	86	65.7 Å²	65.7	53%	0.528	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.7	-179.3	65.9	0	0	0	0	111.1	Q264 Q270 H271	Q264-T266 HydrophobicContact CG-CG2 3.72Å; T266-Q270 WeakPolarHBondContact CA-O 3.38Å; T266-H271 VanDerWaalsContact CG2-ND1 3.29Å; T266-H271 WeakPolarHBondContact CG2-ND1 3.34Å
267	Y	91.4	Very high	90.8	Very high	95 Å²	95	63 Å²	63	37%	0.373	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	127.3	173.2	-174.4	-89.1	0	0	0	110.8	G269 Q270 F293 P295	Y267-G269 VanDerWaalsContact C-N 3.3Å; Y267-G269 PolarHBondContact O-N 3.12Å; Y267-Q270 PolarHBondContact N-O 3.05Å; Y267-Q270 WeakPolarHBondContact O-CB 3.21Å; Y267-Q270 PolarHBondContact O-N 2.89Å; Y267-F293 HydrophobicContact CD1-CE2 4.43Å; Y267-F293 AromaticContact CD2-CE2 3.93Å; Y267-F293 HydrophobicContact CD2-CE2 3.93Å; Y267-F293 AromaticContact CD2-CZ 3.72Å; Y267-F293 HydrophobicContact CD2-CZ 3.72Å; Y267-F293 HydrophobicContact CE2-CE2 4.39Å; Y267-F293 HydrophobicContact CE2-CZ 4.38Å; Y267-F293 AromaticContact CG-CE2 3.97Å; Y267-F293 HydrophobicContact CG-CE2 3.97Å; Y267-F293 HydrophobicContact CG-CZ 4.05Å; Y267-P295 HydrophobicContact CD1-CB 3.91Å; Y267-P295 HydrophobicContact CD1-CG 4.31Å; Y267-P295 HydrophobicContact CE1-CB 3.37Å; Y267-P295 HydrophobicContact CE1-CG 3.48Å; Y267-P295 VanDerWaalsContact CE1-CG 3.48Å; Y267-P295 HydrophobicContact CE2-CG 4.19Å; Y267-P295 VanDerWaalsContact CZ-CG 3.43Å; Y267-P295 WeakPolarHBondContact OH-CG 3.47Å
268	D	90.4	Very high	91	Very high	135 Å²	135	59.5 Å²	59.5	72%	0.722	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	45.3	172.7	-159.9	30.4	0	0	0	113.8	Q270	D268-Q270 PolarHBondContact O-N 3.28Å
269	G	90	Very high	91.3	Very high	69 Å²	69	59.1 Å²	59.1	71%	0.711	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-4.5	-178.7	0	0	0	0	0	115.9	Y267	Y267-G269 VanDerWaalsContact C-N 3.3Å; Y267-G269 PolarHBondContact O-N 3.12Å
270	Q	92.8	Very high	91.6	Very high	42 Å²	42	59.2 Å²	59.2	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	156.4	174.9	-73.7	170.7	97.4	0	0	112.3	D252 T266 Y267 D268 W272 G298	D252-Q270 VanDerWaalsContact OD2-CA 3.32Å; D252-Q270 WeakPolarHBondContact OD2-CA 3.49Å; D252-Q270 VanDerWaalsContact OD2-CB 3.23Å; D252-Q270 WeakPolarHBondContact OD2-CB 3.31Å; T266-Q270 WeakPolarHBondContact CA-O 3.38Å; Y267-Q270 PolarHBondContact N-O 3.05Å; Y267-Q270 WeakPolarHBondContact O-CB 3.21Å; Y267-Q270 PolarHBondContact O-N 2.89Å; D268-Q270 PolarHBondContact O-N 3.28Å; Q270-W272 HydrophobicContact CB-CH2 3.41Å; Q270-W272 VanDerWaalsContact CB-CH2 3.41Å; Q270-W272 HydrophobicContact CB-CZ2 3.68Å; Q270-W272 HydrophobicContact CB-CZ3 4.02Å; Q270-W272 HydrophobicContact CG-CH2 4.43Å; Q270-W272 HydrophobicContact CG-CZ2 4.43Å; Q270-G298 PolarHBondContact NE2-O 2.92Å; Q270-G298 PolarHBondContact OE1-O 2.67Å; Q270-G298 VanDerWaalsContact OE1-O 3.07Å
271	H	94.3	Very high	92	Very high	35 Å²	35	56.1 Å²	56.1	16%	0.162	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.4	-166.6	-63.5	-35.3	0	0	0	111.2	E249 C251 D252 I258 Q264 T266	E249-H271 HydrophobicContact CB-CB 4.18Å; E249-H271 VanDerWaalsContact CB-CD2 3.48Å; E249-H271 WeakPolarHBondContact CB-CD2 3.48Å; E249-H271 VanDerWaalsContact CG-CD2 3.44Å; E249-H271 WeakPolarHBondContact CG-CD2 3.32Å; E249-H271 IonicContact OE2-CD2 3.51Å; E249-H271 IonicContact OE2-NE2 3.97Å; C251-H271 CarbonylContact C-O 3.56Å; C251-H271 VanDerWaalsContact CA-O 3.3Å; C251-H271 WeakPolarHBondContact CA-O 3.4Å; D252-H271 PolarHBondContact N-O 3.04Å; D252-H271 PolarHBondContact OD2-N 3.12Å; I258-H271 HydrophobicContact CD1-CB 3.9Å; Q264-H271 PolarHBondContact NE2-ND1 3.03Å; T266-H271 VanDerWaalsContact CG2-ND1 3.29Å; T266-H271 WeakPolarHBondContact CG2-ND1 3.34Å
272	W	94.5	Very high	92.3	Very high	6 Å²	6	53 Å²	53	2%	0.023	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.8	176.8	-55.3	-83.7	0	0	0	110.9	S253 M265 Q270 C278 F279 I300	S253-W272 PolarHBondContact OG-NE1 3.1Å; M265-W272 HydrophobicContact CB-CB 4.43Å; M265-W272 HydrophobicContact CB-CE3 4.4Å; M265-W272 PolarHBondContact N-O 3.01Å; M265-W272 PolarHBondContact O-N 3.25Å; Q270-W272 HydrophobicContact CB-CH2 3.41Å; Q270-W272 VanDerWaalsContact CB-CH2 3.41Å; Q270-W272 HydrophobicContact CB-CZ2 3.68Å; Q270-W272 HydrophobicContact CB-CZ3 4.02Å; Q270-W272 HydrophobicContact CG-CH2 4.43Å; Q270-W272 HydrophobicContact CG-CZ2 4.43Å; W272-C278 HydrophobicContact CB-CB 4.42Å; W272-F279 HydrophobicContact CB-CB 4.38Å; W272-F279 HydrophobicContact CB-CD2 4.12Å; W272-F279 AromaticContact CD2-CD2 3.88Å; W272-F279 HydrophobicContact CD2-CD2 3.88Å; W272-F279 HydrophobicContact CD2-CE2 4.25Å; W272-F279 AromaticContact CE3-CD2 3.66Å; W272-F279 HydrophobicContact CE3-CD2 3.66Å; W272-F279 AromaticContact CE3-CE2 3.65Å; W272-F279 HydrophobicContact CE3-CE2 3.65Å; W272-F279 HydrophobicContact CG-CD2 4.1Å; W272-F279 HydrophobicContact CZ3-CD2 4.41Å; W272-F279 AromaticContact CZ3-CE2 3.97Å; W272-F279 HydrophobicContact CZ3-CE2 3.97Å; W272-I300 HydrophobicContact CD2-CD1 4.32Å; W272-I300 HydrophobicContact CH2-CD1 4.37Å; W272-I300 HydrophobicContact CH2-CG2 3.99Å; W272-I300 HydrophobicContact CZ2-CD1 4.1Å; W272-I300 HydrophobicContact CZ2-CG2 4.27Å
273	H	94.8	Very high	92.5	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.056	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	141	162.8	-51.3	96.8	0	0	0	109.6	C251 C254 H257 Q262 G263 T275 C278	C251-H273 WeakPolarHBondContact CB-CE1 3.31Å; C251-H273 VanDerWaalsContact CB-ND1 3.29Å; C251-H273 WeakPolarHBondContact CB-ND1 3.28Å; C251-H273 PolarHBondContact SG-ND1 3.03Å; C254-H273 VanDerWaalsContact SG-CE1 3.56Å; H257-H273 PolarHBondContact O-NE2 2.75Å; Q262-H273 PolarHBondContact OE1-CD2 3.4Å; G263-H273 CarbonylContact O-C 3.52Å; H273-T275 HydrophobicContact CB-CG2 4.08Å; H273-T275 PolarHBondContact O-N 3.15Å; H273-C278 HydrophobicContact CB-CB 3.99Å; H273-C278 WeakPolarHBondContact O-CB 3.25Å
274	A	93.9	Very high	92.7	Very high	37 Å²	37	52.9 Å²	52.9	31%	0.306	31%	0.309	S	S	.	.	S	Bend	trans	-75.4	46.6	175	0	0	0	0	0	112	G263 M265 L289	G263-A274 VanDerWaalsContact C-CB 3.49Å; G263-A274 VanDerWaalsContact O-CB 3.3Å; G263-A274 WeakPolarHBondContact O-CB 3.37Å; G263-A274 PolarHBondContact O-N 3.29Å; M265-A274 HydrophobicContact CG-CB 3.87Å; M265-A274 HydrophobicContact SD-CB 4.13Å; A274-L289 HydrophobicContact CB-CD2 4.19Å; A274-L289 WeakPolarHBondContact O-CD1 3.4Å
275	T	93.1	Very high	92.7	Very high	68 Å²	68	55.2 Å²	55.2	42%	0.417	32%	0.318	S	S	.	.	S	Bend	trans	-115	151.1	178.4	65.4	0	0	0	0	110	H273 G277 C278 F279	H273-T275 HydrophobicContact CB-CG2 4.08Å; H273-T275 PolarHBondContact O-N 3.15Å; T275-G277 PolarHBondContact O-N 3.29Å; T275-G277 VanDerWaalsContact O-N 3.14Å; T275-C278 PolarHBondContact O-N 3.48Å; T275-C278 VanDerWaalsContact O-N 3.12Å; T275-C278 PolarHBondContact OG1-SG 2.75Å; T275-F279 PolarHBondContact O-N 3.26Å
276	E	91.4	Very high	92.8	Very high	128 Å²	128	60 Å²	60	60%	0.598	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.7	-175.8	-62.7	-138.8	116.1	0	0	114	C280 S287 L289	E276-C280 WeakPolarHBondContact O-CB 3.29Å; E276-S287 VanDerWaalsContact OE1-CB 3.23Å; E276-S287 WeakPolarHBondContact OE1-CB 3.26Å; E276-S287 PolarHBondContact OE1-OG 3.45Å; E276-L289 HydrophobicContact CG-CD1 4.25Å
277	G	91.3	Very high	92.9	Very high	60 Å²	60	56.3 Å²	56.3	62%	0.619	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-33.5	176.6	0	0	0	0	0	114	T275 C280	T275-G277 PolarHBondContact O-N 3.29Å; T275-G277 VanDerWaalsContact O-N 3.14Å; G277-C280 PolarHBondContact O-SG 2.98Å
278	C	94.4	Very high	93	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.095	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-49.6	-175.3	-66.2	0	0	0	0	112.3	S253 W272 H273 T275 C280	S253-C278 VanDerWaalsContact CB-O 3.25Å; S253-C278 WeakPolarHBondContact CB-O 3.45Å; S253-C278 PolarHBondContact OG-O 3.06Å; W272-C278 HydrophobicContact CB-CB 4.42Å; H273-C278 HydrophobicContact CB-CB 3.99Å; H273-C278 WeakPolarHBondContact O-CB 3.25Å; T275-C278 PolarHBondContact O-N 3.48Å; T275-C278 VanDerWaalsContact O-N 3.12Å; T275-C278 PolarHBondContact OG1-SG 2.75Å; C278-C280 VanDerWaalsContact C-N 3.29Å; C278-C280 PolarHBondContact O-N 3.06Å; C278-C280 VanDerWaalsContact O-N 3.08Å
279	F	95.2	Very high	93.1	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	27%	0.271	C	S	.	.	S	Bend	trans	-88.7	67.6	177.5	-163.2	-109	0	0	0	110.8	M265 W272 T275 L288 L289 F293 I300	M265-F279 HydrophobicContact CB-CB 4.4Å; M265-F279 HydrophobicContact CB-CD1 4.48Å; M265-F279 HydrophobicContact CB-CD2 3.5Å; M265-F279 VanDerWaalsContact CB-CD2 3.5Å; M265-F279 HydrophobicContact CB-CE2 3.81Å; M265-F279 HydrophobicContact CB-CG 3.88Å; M265-F279 HydrophobicContact CB-CZ 4.43Å; M265-F279 HydrophobicContact CE-CD1 4.03Å; M265-F279 HydrophobicContact CE-CE1 3.69Å; M265-F279 HydrophobicContact CE-CE2 4.39Å; M265-F279 HydrophobicContact CE-CZ 3.9Å; M265-F279 HydrophobicContact CG-CB 3.98Å; M265-F279 HydrophobicContact CG-CD1 4.01Å; M265-F279 HydrophobicContact CG-CD2 3.86Å; M265-F279 HydrophobicContact CG-CE2 4.37Å; M265-F279 HydrophobicContact CG-CG 3.67Å; W272-F279 HydrophobicContact CB-CB 4.38Å; W272-F279 HydrophobicContact CB-CD2 4.12Å; W272-F279 AromaticContact CD2-CD2 3.88Å; W272-F279 HydrophobicContact CD2-CD2 3.88Å; W272-F279 HydrophobicContact CD2-CE2 4.25Å; W272-F279 AromaticContact CE3-CD2 3.66Å; W272-F279 HydrophobicContact CE3-CD2 3.66Å; W272-F279 AromaticContact CE3-CE2 3.65Å; W272-F279 HydrophobicContact CE3-CE2 3.65Å; W272-F279 HydrophobicContact CG-CD2 4.1Å; W272-F279 HydrophobicContact CZ3-CD2 4.41Å; W272-F279 AromaticContact CZ3-CE2 3.97Å; W272-F279 HydrophobicContact CZ3-CE2 3.97Å; T275-F279 PolarHBondContact O-N 3.26Å; F279-L288 HydrophobicContact CD1-CB 3.6Å; F279-L288 HydrophobicContact CE1-CB 3.5Å; F279-L288 VanDerWaalsContact CE1-CB 3.5Å; F279-L288 HydrophobicContact CZ-CB 4.36Å; F279-L288 PolarHBondContact O-N 2.95Å; F279-L289 HydrophobicContact CB-CD2 3.91Å; F279-L289 HydrophobicContact CB-CG 4.44Å; F279-L289 HydrophobicContact CD1-CD2 3.8Å; F279-L289 HydrophobicContact CD1-CG 4.34Å; F279-L289 HydrophobicContact CG-CD2 4.19Å; F279-F293 HydrophobicContact CE1-CD1 4.32Å; F279-F293 HydrophobicContact CE1-CE1 4.41Å; F279-F293 AromaticContact CZ-CD1 3.98Å; F279-F293 HydrophobicContact CZ-CD1 3.98Å; F279-F293 AromaticContact CZ-CE1 3.78Å; F279-F293 HydrophobicContact CZ-CE1 3.78Å; F279-F293 HydrophobicContact CZ-CG 4.47Å; F279-F293 HydrophobicContact CZ-CZ 4.09Å; F279-I300 HydrophobicContact CD2-CD1 3.64Å; F279-I300 HydrophobicContact CE2-CD1 3.53Å; F279-I300 HydrophobicContact CG-CD1 4.38Å; F279-I300 HydrophobicContact CZ-CD1 4.2Å
280	C	94.7	Very high	93.1	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.034	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-124.9	155.8	-174.8	72.9	0	0	0	0	112.9	E276 G277 C278 A282 K285 R286	E276-C280 WeakPolarHBondContact O-CB 3.29Å; G277-C280 PolarHBondContact O-SG 2.98Å; C278-C280 VanDerWaalsContact C-N 3.29Å; C278-C280 PolarHBondContact O-N 3.06Å; C278-C280 VanDerWaalsContact O-N 3.08Å; C280-A282 PolarHBondContact O-N 3.43Å; C280-K285 VanDerWaalsContact SG-CD 3.53Å; C280-R286 WeakPolarHBondContact CA-O 3.2Å
281	C	94.5	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.			trans	-59.4	121.7	174.9	174.3	0	0	0	0	110.7	R283 C284 K285 R286 L288 I300 C302	C281-R283 PolarHBondContact O-N 3.42Å; C281-C284 VanDerWaalsContact CB-SG 3.59Å; C281-C284 PolarHBondContact O-N 2.8Å; C281-C284 PolarHBondContact SG-SG 3.02Å; C281-K285 VanDerWaalsContact O-CA 3.25Å; C281-K285 WeakPolarHBondContact O-CA 3.22Å; C281-K285 PolarHBondContact O-N 3.3Å; C281-R286 PolarHBondContact N-O 2.72Å; C281-L288 HydrophobicContact CB-CD2 4.29Å; C281-L288 HydrophobicContact CB-CG 4.49Å; C281-I300 WeakPolarHBondContact CA-O 3.32Å; C281-C302 HydrophobicContact CB-CB 4.02Å; C281-C302 PolarHBondContact SG-N 2.77Å; C281-C302 VanDerWaalsContact SG-N 3.37Å
282	A	91.4	Very high	92.8	Very high	31 Å²	31	57 Å²	57	26%	0.256	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-40.8	-174.4	0	0	0	0	0	113.4	C280 K285 Q299 I300 F301	C280-A282 PolarHBondContact O-N 3.43Å; A282-K285 WeakPolarHBondContact O-CE 3.3Å; A282-Q299 HydrophobicContact CB-CB 4.06Å; A282-Q299 HydrophobicContact CB-CG 4.41Å; A282-I300 PolarHBondContact N-O 2.69Å; A282-F301 HydrophobicContact CB-CD1 4.48Å; A282-F301 HydrophobicContact CB-CE1 4.05Å; A282-F301 HydrophobicContact CB-CZ 4.37Å
283	R	90	Very high	92.7	Very high	83 Å²	83	59.5 Å²	59.5	31%	0.313	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-50.8	-177.8	-167.9	175.8	-177.8	-155.7	4.8	115	C281 F301 S305 C306 G309 E310 E311	C281-R283 PolarHBondContact O-N 3.42Å; R283-F301 HydrophobicContact CB-CD1 4.44Å; R283-F301 HydrophobicContact CB-CE1 4.32Å; R283-S305 PolarHBondContact NH1-O 2.77Å; R283-S305 VanDerWaalsContact NH1-O 3.14Å; R283-C306 WeakPolarHBondContact CD-O 3.37Å; R283-G309 VanDerWaalsContact NH1-CA 3.32Å; R283-G309 VanDerWaalsContact NH2-C 3.28Å; R283-G309 PolarHBondContact NH2-O 3.39Å; R283-E310 VanDerWaalsContact CZ-O 3.28Å; R283-E310 PolarHBondContact NH1-O 3.13Å; R283-E310 VanDerWaalsContact NH2-C 3.3Å; R283-E310 PolarHBondContact NH2-O 2.78Å; R283-E311 IonicContact CZ-OE1 3.76Å; R283-E311 IonicContact NH2-OE1 2.64Å; R283-E311 PolarHBondContact NH2-OE1 2.78Å
284	C	92.6	Very high	92.6	Very high	57 Å²	57	62.8 Å²	62.8	39%	0.385	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	2.1	-173	73.6	0	0	0	0	114.6	C281 R286 C302	C281-C284 VanDerWaalsContact CB-SG 3.59Å; C281-C284 PolarHBondContact O-N 2.8Å; C281-C284 PolarHBondContact SG-SG 3.02Å; C284-R286 PolarHBondContact O-N 2.8Å; C284-C302 PolarHBondContact SG-SG 3.16Å
285	K	92.1	Very high	92.5	Very high	137 Å²	137	63.4 Å²	63.4	60%	0.596	36%	0.355	S	S	*	.			trans	52.7	16.2	178.6	-57.6	-61.6	-177.4	178.1	0	115.9	C280 C281 A282 S287	C280-K285 VanDerWaalsContact SG-CD 3.53Å; C281-K285 VanDerWaalsContact O-CA 3.25Å; C281-K285 WeakPolarHBondContact O-CA 3.22Å; C281-K285 PolarHBondContact O-N 3.3Å; A282-K285 WeakPolarHBondContact O-CE 3.3Å; K285-S287 PolarHBondContact O-N 2.68Å
286	R	92.6	Very high	92.3	Very high	156 Å²	156	64.1 Å²	64.1	59%	0.589	35%	0.352	S	S	*	.			trans	-68.8	125.5	170.8	-174.9	174.4	-66.2	171.3	0.7	110	C280 C281 C284 L288	C280-R286 WeakPolarHBondContact CA-O 3.2Å; C281-R286 PolarHBondContact N-O 2.72Å; C284-R286 PolarHBondContact O-N 2.8Å; R286-L288 PolarHBondContact O-N 2.79Å
287	S	94.4	Very high	92	Very high	9 Å²	9	66.6 Å²	66.6	6%	0.063	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-47.9	132	171.4	172.1	0	0	0	0	111.8	E276 K285 R291	E276-S287 VanDerWaalsContact OE1-CB 3.23Å; E276-S287 WeakPolarHBondContact OE1-CB 3.26Å; E276-S287 PolarHBondContact OE1-OG 3.45Å; K285-S287 PolarHBondContact O-N 2.68Å; S287-R291 WeakPolarHBondContact O-CD 3.34Å; S287-R291 PolarHBondContact O-NH1 2.96Å
288	L	93.9	Very high	91.7	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	35%	0.352	C	S	.	.			trans	-103.5	0.1	179.2	-62.8	174.4	0	0	0	112.4	F279 C281 R286 G290 R291 F293 I300 C302	F279-L288 HydrophobicContact CD1-CB 3.6Å; F279-L288 HydrophobicContact CE1-CB 3.5Å; F279-L288 VanDerWaalsContact CE1-CB 3.5Å; F279-L288 HydrophobicContact CZ-CB 4.36Å; F279-L288 PolarHBondContact O-N 2.95Å; C281-L288 HydrophobicContact CB-CD2 4.29Å; C281-L288 HydrophobicContact CB-CG 4.49Å; R286-L288 PolarHBondContact O-N 2.79Å; L288-G290 PolarHBondContact O-N 3.47Å; L288-R291 PolarHBondContact O-N 3.25Å; L288-F293 HydrophobicContact CD1-CB 3.9Å; L288-F293 HydrophobicContact CD2-CB 4.08Å; L288-F293 HydrophobicContact CG-CB 4.39Å; L288-I300 HydrophobicContact CD1-CB 3.92Å; L288-I300 HydrophobicContact CD1-CD1 3.75Å; L288-I300 HydrophobicContact CD1-CG1 3.72Å; L288-C302 HydrophobicContact CD2-CB 3.55Å
289	L	93.3	Very high	91.5	Very high	49 Å²	49	70.1 Å²	70.1	26%	0.257	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	129	177.9	-62.2	175	0	0	0	110.4	M265 A274 E276 F279 R291	M265-L289 HydrophobicContact CG-CD2 3.83Å; M265-L289 HydrophobicContact SD-CD2 3.9Å; A274-L289 HydrophobicContact CB-CD2 4.19Å; A274-L289 WeakPolarHBondContact O-CD1 3.4Å; E276-L289 HydrophobicContact CG-CD1 4.25Å; F279-L289 HydrophobicContact CB-CD2 3.91Å; F279-L289 HydrophobicContact CB-CG 4.44Å; F279-L289 HydrophobicContact CD1-CD2 3.8Å; F279-L289 HydrophobicContact CD1-CG 4.34Å; F279-L289 HydrophobicContact CG-CD2 4.19Å; L289-R291 PolarHBondContact O-N 2.76Å
290	G	89.3	Confident	91.4	Very high	91 Å²	91	70.2 Å²	70.2	94%	0.938	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	14.9	-177.1	0	0	0	0	0	115.3	L288	L288-G290 PolarHBondContact O-N 3.47Å
291	R	90.6	Very high	91.3	Very high	131 Å²	131	70.8 Å²	70.8	49%	0.494	38%	0.375	S	S	.	.	S	Bend	trans	-122.4	148.6	-177.1	-69.1	174.1	176.3	140.3	5.2	111.5	S287 L288 L289	S287-R291 WeakPolarHBondContact O-CD 3.34Å; S287-R291 PolarHBondContact O-NH1 2.96Å; L288-R291 PolarHBondContact O-N 3.25Å; L289-R291 PolarHBondContact O-N 2.76Å
292	P	90.2	Very high	91.3	Very high	118 Å²	118	72.4 Å²	72.4	77%	0.766	39%	0.386	S	S	*	.			trans	-62.8	139.4	169.5	28.2	-34.4	0	0	0	110.1
293	F	93.6	Very high	91.4	Very high	59 Å²	59	72.9 Å²	72.9	26%	0.259	39%	0.387	S	S	.	.			trans	-132	160.4	177	66.2	-86.2	0	0	0	111	Y267 F279 L288 P295 I300 F301	Y267-F293 HydrophobicContact CD1-CE2 4.43Å; Y267-F293 AromaticContact CD2-CE2 3.93Å; Y267-F293 HydrophobicContact CD2-CE2 3.93Å; Y267-F293 AromaticContact CD2-CZ 3.72Å; Y267-F293 HydrophobicContact CD2-CZ 3.72Å; Y267-F293 HydrophobicContact CE2-CE2 4.39Å; Y267-F293 HydrophobicContact CE2-CZ 4.38Å; Y267-F293 AromaticContact CG-CE2 3.97Å; Y267-F293 HydrophobicContact CG-CE2 3.97Å; Y267-F293 HydrophobicContact CG-CZ 4.05Å; F279-F293 HydrophobicContact CE1-CD1 4.32Å; F279-F293 HydrophobicContact CE1-CE1 4.41Å; F279-F293 AromaticContact CZ-CD1 3.98Å; F279-F293 HydrophobicContact CZ-CD1 3.98Å; F279-F293 AromaticContact CZ-CE1 3.78Å; F279-F293 HydrophobicContact CZ-CE1 3.78Å; F279-F293 HydrophobicContact CZ-CG 4.47Å; F279-F293 HydrophobicContact CZ-CZ 4.09Å; L288-F293 HydrophobicContact CD1-CB 3.9Å; L288-F293 HydrophobicContact CD2-CB 4.08Å; L288-F293 HydrophobicContact CG-CB 4.39Å; F293-P295 HydrophobicContact CE2-CB 4.38Å; F293-P295 HydrophobicContact CE2-CG 4.33Å; F293-I300 HydrophobicContact CD2-CB 4.11Å; F293-I300 HydrophobicContact CD2-CG2 3.86Å; F293-I300 HydrophobicContact CE2-CG2 3.94Å; F293-F301 CarbonylContact C-O 3.6Å; F293-F301 VanDerWaalsContact CA-O 3.32Å; F293-F301 WeakPolarHBondContact CA-O 3.49Å
294	L	92.6	Very high	91.4	Very high	81 Å²	81	77.8 Å²	77.8	42%	0.424	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	105.7	179	-77	159.9	0	0	0	108.5	F301 R304	L294-F301 HydrophobicContact CB-CB 4.47Å; L294-F301 PolarHBondContact N-O 2.7Å; L294-F301 WeakPolarHBondContact O-CD2 3.25Å; L294-F301 PolarHBondContact O-N 3.13Å; L294-R304 HydrophobicContact CD1-CB 4.35Å
295	P	91.9	Very high	91.3	Very high	51 Å²	51	78.1 Å²	78.1	33%	0.331	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.4	171.7	30	-29.8	0	0	0	110.3	Y267 F293 Q299	Y267-P295 HydrophobicContact CD1-CB 3.91Å; Y267-P295 HydrophobicContact CD1-CG 4.31Å; Y267-P295 HydrophobicContact CE1-CB 3.37Å; Y267-P295 HydrophobicContact CE1-CG 3.48Å; Y267-P295 VanDerWaalsContact CE1-CG 3.48Å; Y267-P295 HydrophobicContact CE2-CG 4.19Å; Y267-P295 VanDerWaalsContact CZ-CG 3.43Å; Y267-P295 WeakPolarHBondContact OH-CG 3.47Å; F293-P295 HydrophobicContact CE2-CB 4.38Å; F293-P295 HydrophobicContact CE2-CG 4.33Å; P295-Q299 CarbonylContact C-O 3.3Å; P295-Q299 WeakPolarHBondContact CA-O 3.06Å
296	K	89.1	Confident	91.1	Very high	83 Å²	83	72.5 Å²	72.5	36%	0.361	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	124.9	178.9	177.1	-176.1	170.1	-173.6	0	110.1	G298 Q299 F301 S307	K296-G298 VanDerWaalsContact C-N 3.32Å; K296-G298 PolarHBondContact O-N 3.41Å; K296-Q299 PolarHBondContact N-O 3.18Å; K296-Q299 PolarHBondContact O-N 3.47Å; K296-F301 HydrophobicContact CB-CD2 4.34Å; K296-F301 HydrophobicContact CB-CE2 4.11Å; K296-S307 PolarHBondContact NZ-O 3.3Å
297	Q	84.6	Confident	90.9	Very high	179 Å²	179	65.9 Å²	65.9	84%	0.836	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	47.3	177.4	-63.2	171.3	-48.1	0	0	112.2	Q299	Q297-Q299 PolarHBondContact O-N 3.03Å; Q297-Q299 VanDerWaalsContact O-N 3.09Å
298	G	84.4	Confident	90.5	Very high	36 Å²	36	69.9 Å²	69.9	37%	0.371	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-31.2	-173.7	0	0	0	0	0	114.6	Q270 K296	Q270-G298 PolarHBondContact NE2-O 2.92Å; Q270-G298 PolarHBondContact OE1-O 2.67Å; Q270-G298 VanDerWaalsContact OE1-O 3.07Å; K296-G298 VanDerWaalsContact C-N 3.32Å; K296-G298 PolarHBondContact O-N 3.41Å
299	Q	90.3	Very high	89.6	Confident	112 Å²	112	72 Å²	72	52%	0.523	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	147.2	-173.4	-63.8	-176.5	6.8	0	0	113.8	A282 P295 K296 Q297 F301	A282-Q299 HydrophobicContact CB-CB 4.06Å; A282-Q299 HydrophobicContact CB-CG 4.41Å; P295-Q299 CarbonylContact C-O 3.3Å; P295-Q299 WeakPolarHBondContact CA-O 3.06Å; K296-Q299 PolarHBondContact N-O 3.18Å; K296-Q299 PolarHBondContact O-N 3.47Å; Q297-Q299 PolarHBondContact O-N 3.03Å; Q297-Q299 VanDerWaalsContact O-N 3.09Å; Q299-F301 HydrophobicContact CB-CD2 4.49Å; Q299-F301 HydrophobicContact CB-CE2 3.57Å; Q299-F301 HydrophobicContact CB-CZ 3.68Å; Q299-F301 WeakPolarHBondContact O-CE2 3.27Å
300	I	93.1	Very high	88.3	Confident	6 Å²	6	75.2 Å²	75.2	3%	0.031	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.9	178.1	59.4	-179.1	0	0	0	112	W272 F279 C281 A282 L288 F293	W272-I300 HydrophobicContact CD2-CD1 4.32Å; W272-I300 HydrophobicContact CH2-CD1 4.37Å; W272-I300 HydrophobicContact CH2-CG2 3.99Å; W272-I300 HydrophobicContact CZ2-CD1 4.1Å; W272-I300 HydrophobicContact CZ2-CG2 4.27Å; F279-I300 HydrophobicContact CD2-CD1 3.64Å; F279-I300 HydrophobicContact CE2-CD1 3.53Å; F279-I300 HydrophobicContact CG-CD1 4.38Å; F279-I300 HydrophobicContact CZ-CD1 4.2Å; C281-I300 WeakPolarHBondContact CA-O 3.32Å; A282-I300 PolarHBondContact N-O 2.69Å; L288-I300 HydrophobicContact CD1-CB 3.92Å; L288-I300 HydrophobicContact CD1-CD1 3.75Å; L288-I300 HydrophobicContact CD1-CG1 3.72Å; F293-I300 HydrophobicContact CD2-CB 4.11Å; F293-I300 HydrophobicContact CD2-CG2 3.86Å; F293-I300 HydrophobicContact CE2-CG2 3.94Å
301	F	93.9	Very high	86.8	Confident	16 Å²	16	77.6 Å²	77.6	7%	0.07	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.8	-174.9	-58.9	-87.7	0	0	0	112.7	A282 R283 F293 L294 K296 Q299 C306 S307	A282-F301 HydrophobicContact CB-CD1 4.48Å; A282-F301 HydrophobicContact CB-CE1 4.05Å; A282-F301 HydrophobicContact CB-CZ 4.37Å; R283-F301 HydrophobicContact CB-CD1 4.44Å; R283-F301 HydrophobicContact CB-CE1 4.32Å; F293-F301 CarbonylContact C-O 3.6Å; F293-F301 VanDerWaalsContact CA-O 3.32Å; F293-F301 WeakPolarHBondContact CA-O 3.49Å; L294-F301 HydrophobicContact CB-CB 4.47Å; L294-F301 PolarHBondContact N-O 2.7Å; L294-F301 WeakPolarHBondContact O-CD2 3.25Å; L294-F301 PolarHBondContact O-N 3.13Å; K296-F301 HydrophobicContact CB-CD2 4.34Å; K296-F301 HydrophobicContact CB-CE2 4.11Å; Q299-F301 HydrophobicContact CB-CD2 4.49Å; Q299-F301 HydrophobicContact CB-CE2 3.57Å; Q299-F301 HydrophobicContact CB-CZ 3.68Å; Q299-F301 WeakPolarHBondContact O-CE2 3.27Å; F301-C306 HydrophobicContact CB-CB 4.27Å; F301-C306 HydrophobicContact CD1-CB 4.13Å; F301-C306 VanDerWaalsContact CD1-O 3.31Å; F301-C306 WeakPolarHBondContact CD1-O 3.39Å; F301-C306 WeakPolarHBondContact CE1-O 3.46Å; F301-S307 VanDerWaalsContact CD2-CB 3.5Å
302	C	94.2	Very high	85.1	Confident	34 Å²	34	76.4 Å²	76.4	23%	0.23	42%	0.416	C	S	.	.	S	Bend	trans	-80.8	-14.7	178.3	65.5	0	0	0	0	114.8	C281 C284 L288	C281-C302 HydrophobicContact CB-CB 4.02Å; C281-C302 PolarHBondContact SG-N 2.77Å; C281-C302 VanDerWaalsContact SG-N 3.37Å; C284-C302 PolarHBondContact SG-SG 3.16Å; L288-C302 HydrophobicContact CD2-CB 3.55Å
303	S	92.3	Very high	83.2	Confident	42 Å²	42	78.6 Å²	78.6	29%	0.294	42%	0.422	S	S	.	.	S	Bend	trans	-162.2	164.3	-174.5	72.1	0	0	0	0	111.6	C306 S307	S303-C306 PolarHBondContact O-N 2.94Å; S303-C306 PolarHBondContact OG-N 2.91Å; S303-C306 PolarHBondContact OG-SG 3.17Å; S303-S307 PolarHBondContact O-N 2.94Å; S303-S307 VanDerWaalsContact O-N 3.14Å
304	R	90.4	Very high	81.1	Confident	185 Å²	185	79 Å²	79	70%	0.698	44%	0.442	S	S	*	.	H	α-helix	trans	-63.8	-38.8	177.6	-169.6	170.9	-179.6	150.9	-0.9	112.4	L294 C306 S307 L308	L294-R304 HydrophobicContact CD1-CB 4.35Å; R304-C306 VanDerWaalsContact C-N 3.31Å; R304-C306 PolarHBondContact O-N 3.09Å; R304-S307 CarbonylContact O-C 3.54Å; R304-S307 PolarHBondContact O-N 3.22Å; R304-S307 VanDerWaalsContact O-N 3.13Å; R304-S307 PolarHBondContact O-OG 3.45Å; R304-L308 HydrophobicContact CG-CD1 3.8Å; R304-L308 HydrophobicContact CG-CG 4.12Å; R304-L308 WeakPolarHBondContact O-CB 3.49Å; R304-L308 VanDerWaalsContact O-CG 3.32Å; R304-L308 WeakPolarHBondContact O-CG 3.13Å; R304-L308 PolarHBondContact O-N 3.13Å
305	S	90	Very high	78.9	Confident	64 Å²	64	80.8 Å²	80.8	45%	0.448	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-36.9	174.6	-49.4	0	0	0	0	112.1	R283 S307	R283-S305 PolarHBondContact NH1-O 2.77Å; R283-S305 VanDerWaalsContact NH1-O 3.14Å; S305-S307 PolarHBondContact O-N 3.5Å
306	C	89.4	Confident	76.7	Confident	20 Å²	20	85.8 Å²	85.8	14%	0.135	49%	0.485	C	S	.	.	H	α-helix	trans	-67.1	-33.8	173.5	-72.1	0	0	0	0	112.9	R283 F301 S303 R304	R283-C306 WeakPolarHBondContact CD-O 3.37Å; F301-C306 HydrophobicContact CB-CB 4.27Å; F301-C306 HydrophobicContact CD1-CB 4.13Å; F301-C306 VanDerWaalsContact CD1-O 3.31Å; F301-C306 WeakPolarHBondContact CD1-O 3.39Å; F301-C306 WeakPolarHBondContact CE1-O 3.46Å; S303-C306 PolarHBondContact O-N 2.94Å; S303-C306 PolarHBondContact OG-N 2.91Å; S303-C306 PolarHBondContact OG-SG 3.17Å; R304-C306 VanDerWaalsContact C-N 3.31Å; R304-C306 PolarHBondContact O-N 3.09Å
307	S	88.6	Confident	74.9	Confident	17 Å²	17	86.6 Å²	86.6	12%	0.119	50%	0.502	C	S	.	.	H	α-helix	trans	-89.7	-6	179.6	73.2	0	0	0	0	115.2	K296 F301 S303 R304 S305	K296-S307 PolarHBondContact NZ-O 3.3Å; F301-S307 VanDerWaalsContact CD2-CB 3.5Å; S303-S307 PolarHBondContact O-N 2.94Å; S303-S307 VanDerWaalsContact O-N 3.14Å; R304-S307 CarbonylContact O-C 3.54Å; R304-S307 PolarHBondContact O-N 3.22Å; R304-S307 VanDerWaalsContact O-N 3.13Å; R304-S307 PolarHBondContact O-OG 3.45Å; S305-S307 PolarHBondContact O-N 3.5Å
308	L	85.8	Confident	73.1	Confident	92 Å²	92	84 Å²	84	48%	0.482	50%	0.503	S	S	.	.	H	α-helix	trans	-100.3	-15.5	176.7	-73.6	-178.4	0	0	0	115	R304 E310	R304-L308 HydrophobicContact CG-CD1 3.8Å; R304-L308 HydrophobicContact CG-CG 4.12Å; R304-L308 WeakPolarHBondContact O-CB 3.49Å; R304-L308 VanDerWaalsContact O-CG 3.32Å; R304-L308 WeakPolarHBondContact O-CG 3.13Å; R304-L308 PolarHBondContact O-N 3.13Å; L308-E310 HydrophobicContact CB-CG 4.45Å
309	G	74.4	Confident	71.1	Confident	45 Å²	45	87.7 Å²	87.7	46%	0.464	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	4.7	178.8	0	0	0	0	0	115.3	R283 E311	R283-G309 VanDerWaalsContact NH1-CA 3.32Å; R283-G309 VanDerWaalsContact NH2-C 3.28Å; R283-G309 PolarHBondContact NH2-O 3.39Å; G309-E311 PolarHBondContact O-N 3.35Å
310	E	65.9	Low	69.3	Low	118 Å²	118	88.1 Å²	88.1	55%	0.551	53%	0.53	S	S	*	.			trans	-61.5	117.3	175.1	-63.6	173.2	147	0	0	110.6	R283 L308	R283-E310 VanDerWaalsContact CZ-O 3.28Å; R283-E310 PolarHBondContact NH1-O 3.13Å; R283-E310 VanDerWaalsContact NH2-C 3.3Å; R283-E310 PolarHBondContact NH2-O 2.78Å; L308-E310 HydrophobicContact CB-CG 4.45Å
311	E	57.2	Low	66.9	Low	140 Å²	140	91.4 Å²	91.4	65%	0.654	56%	0.558	S	S	*	*			trans	-65.6	146.3	-174.9	-79.9	-67.2	107.7	0	0	112.9	R283 G309 N313	R283-E311 IonicContact CZ-OE1 3.76Å; R283-E311 IonicContact NH2-OE1 2.64Å; R283-E311 PolarHBondContact NH2-OE1 2.78Å; G309-E311 PolarHBondContact O-N 3.35Å; E311-N313 PolarHBondContact O-N 3.09Å
312	P	55	Low	64.6	Low	107 Å²	107	99 Å²	99	70%	0.695	59%	0.591	S	S	*	*	S	Bend	trans	-64.2	-8	-179.1	-22.3	34.2	0	0	0	115.5	G314	P312-G314 PolarHBondContact O-N 3.06Å
313	N	50.1	Low	62.4	Low	164 Å²	164	106.5 Å²	106.5	88%	0.877	62%	0.623	S	S	*	*			trans	-80.4	48.5	-177.7	-155.8	98	0	0	0	112.3	E311	E311-N313 PolarHBondContact O-N 3.09Å
314	G	49.8	Very low	59.8	Low	67 Å²	67	109.2 Å²	109.2	69%	0.691	64%	0.642	S	S	*	*			trans	-148.2	31.2	-173.9	0	0	0	0	0	112.8	P312	P312-G314 PolarHBondContact O-N 3.06Å
315	S	46.2	Very low	57.4	Low	118 Å²	118	105.2 Å²	105.2	83%	0.825	65%	0.648	S	S	*	*			trans	-124.7	67.5	173	-65	0	0	0	0	110.2
316	D	46.4	Very low	55	Low	156 Å²	156	113.3 Å²	113.3	83%	0.834	67%	0.669	S	S	*	*			trans	-80.2	164.2	154.8	-164.1	8.3	0	0	0	109.5
317	S	50.8	Low	52.4	Low	101 Å²	101	118.4 Å²	118.4	71%	0.706	71%	0.705	S	S	*	*			trans	-70.1	143.3	-166.1	-56.7	0	0	0	0	113.1
318	S	46.6	Very low	49.9	Very low	125 Å²	125	123.2 Å²	123.2	87%	0.874	73%	0.734	S	S	*	*			trans	-128.4	90.9	152.4	-76.2	0	0	0	0	108.2
319	D	42.1	Very low	47.7	Very low	113 Å²	113	128.5 Å²	128.5	60%	0.604	75%	0.747	S	S	*	*			trans	-50.7	149.8	177	-179.2	24.8	0	0	0	112.8	A321	D319-A321 WeakPolarHBondContact OD1-CB 3.45Å; D319-A321 PolarHBondContact OD1-N 2.88Å
320	S	52.7	Low	45.9	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	76%	0.758	S	S	*	*			trans	-148.1	34.7	166.5	-74.1	0	0	0	0	111.5	F322	S320-F322 PolarHBondContact O-N 3.45Å
321	A	43.1	Very low	44.2	Very low	75 Å²	75	132.8 Å²	132.8	62%	0.62	77%	0.767	S	S	*	*			trans	-79.1	47.8	178.3	0	0	0	0	0	113.8	D319	D319-A321 WeakPolarHBondContact OD1-CB 3.45Å; D319-A321 PolarHBondContact OD1-N 2.88Å
322	F	45.8	Very low	43.2	Very low	176 Å²	176	137.1 Å²	137.1	77%	0.772	78%	0.777	S	S	*	*			trans	-124.1	65.6	174.4	-89.7	-74.1	0	0	0	114.2	S320	S320-F322 PolarHBondContact O-N 3.45Å
323	Q	47.1	Very low	42.1	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	79%	0.79	S	S	*	*	S	Bend	trans	-155.3	68.3	140.8	-111.5	164.4	103.5	0	0	109.5
324	S	39.3	Very low	41.3	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	78%	0.779	S	S	*	*				85.9	94.2	97.5	-67	0	0	0	0	114.1	R326	S324-R326 PolarHBondContact O-N 3.35Å
325	A	39.4	Very low	40.5	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	78%	0.78	S	S	*	*			trans	-67.6	122.7	167.4	0	0	0	0	0	111.5
326	R	38.5	Very low	39.8	Very low	234 Å²	234	146.1 Å²	146.1	88%	0.883	78%	0.778	S	S	*	*			trans	-142.7	64.6	159.3	-73.9	-160.9	177.8	-177	1.2	112.1	S324 T328	S324-R326 PolarHBondContact O-N 3.35Å; R326-T328 VanDerWaalsContact C-N 3.33Å; R326-T328 PolarHBondContact O-N 2.88Å
327	S	34.7	Very low	39	Very low	127 Å²	127	144.1 Å²	144.1	89%	0.888	77%	0.772	S	S	*	*			trans	-90.2	73.2	160.9	-165.9	0	0	0	0	110
328	T	36.6	Very low	37.9	Very low	118 Å²	118	144.3 Å²	144.3	72%	0.724	77%	0.773	S	S	*	*			trans	-131	85.5	171.6	54.2	0	0	0	0	109.9	R326	R326-T328 VanDerWaalsContact C-N 3.33Å; R326-T328 PolarHBondContact O-N 2.88Å
329	R	39.6	Very low	37.2	Very low	203 Å²	203	147.3 Å²	147.3	77%	0.766	77%	0.77	S	S	*	*			trans	56.8	120.9	137	-168.4	173.4	178.5	147.8	16.7	119.2
330	E	36	Very low	36.6	Very low	147 Å²	147	147.1 Å²	147.1	69%	0.687	78%	0.778	S	S	*	*			trans	63.1	109.1	154.1	-69.6	157.4	-178	0	0	119.8
331	S	31.4	Very low	35.4	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	78%	0.78	S	S	*	*				-162.6	116.8	122.9	-159.8	0	0	0	0	115.1
332	R	36.3	Very low	34.6	Very low	232 Å²	232	146 Å²	146	88%	0.875	79%	0.792	S	S	*	*			trans	42.6	108.1	138.1	-55.8	176.3	-168.9	-142.9	-1.8	120.5
333	R	31.9	Very low	33.8	Very low	256 Å²	256	141.5 Å²	141.5	97%	0.966	80%	0.796	S	S	*	*			trans	-73.7	120	148.2	-178.4	-167.2	-160.3	-162.6	9.2	110
334	S	31.9	Very low	33	Very low	91 Å²	91	137 Å²	137	64%	0.636	79%	0.791	S	S	*	*			trans	-162.8	127.4	165.6	-165.7	0	0	0	0	113.6
335	T	33.4	Very low	33.9	Very low	117 Å²	117	137.9 Å²	137.9	72%	0.718	80%	0.795	S	S	*	*			trans	50.8	140.7	143.6	55.5	0	0	0	0	120.9
336	K	31.8	Very low	34.5	Very low	181 Å²	181	138.1 Å²	138.1	79%	0.787	79%	0.788	S	S	*	*			cis	-169.4	178	0.3	-128.2	177.1	178.6	-179.6	0	109.7
337	T	30.1	Very low	34.2	Very low	113 Å²	113	135.9 Å²	135.9	69%	0.693	79%	0.787	S	S	*	*			trans	57.5	99.3	148.5	49.1	0	0	0	0	121.5
338	S	27.8	Very low	34.1	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	79%	0.785	S	S	*	*				55.4	135.6	116.9	70.1	0	0	0	0	123
339	K	32.5	Very low	33.9	Very low	187 Å²	187	143.1 Å²	143.1	81%	0.813	79%	0.789	S	S	*	*				136.8	122.9	104.4	-146.7	-175.8	-177.3	-177.6	0	115
340	S	28.5	Very low	33.6	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	79%	0.786	S	S	*	*			trans	56.7	131.8	146.1	58.9	0	0	0	0	123.4
341	G	27.4	Very low	33.5	Very low	85 Å²	85	134.3 Å²	134.3	88%	0.876	79%	0.785	S	S	*	*			trans	96.1	141.7	157	0	0	0	0	0	114.8
342	G	27.5	Very low	33.6	Very low	86 Å²	86	137.4 Å²	137.4	89%	0.887	79%	0.788	S	S	*	*			cis	126.9	103.9	-5.8	0	0	0	0	0	113
343	G	27.6	Very low	33.4	Very low	83 Å²	83	132.3 Å²	132.3	86%	0.856	78%	0.782	S	S	*	*			trans	156.6	156.9	-179.3	0	0	0	0	0	111.9
344	A	30.6	Very low	33.5	Very low	95 Å²	95	127.3 Å²	127.3	79%	0.785	77%	0.774	S	S	*	*			trans	-141.5	-152.6	-175.4	0	0	0	0	0	110.3
345	P	59.4	Low	34.1	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	77%	0.773	S	S	*	*				-110.4	-139.2	-91.9	42	-27.1	0	0	0	108.9
346	P	51.9	Low	34	Very low	106 Å²	106	130.4 Å²	130.4	69%	0.688	78%	0.783	S	S	*	*			cis	-126.6	-176.3	-28.8	40.5	-25.5	0	0	0	113.2
347	E	30.4	Very low	34.2	Very low	187 Å²	187	127.2 Å²	127.2	87%	0.874	78%	0.784	S	S	*	*			trans	-124.1	170.1	157.7	-78.1	-135.4	107.7	0	0	112.6
348	R	33.3	Very low	34.4	Very low	225 Å²	225	129.3 Å²	129.3	85%	0.849	79%	0.79	S	S	*	*			trans	-116.3	140.7	-169.3	-73.7	177.9	179.6	173	-0.4	110.1
349	H	32.3	Very low	34.6	Very low	173 Å²	173	130.8 Å²	130.8	80%	0.801	79%	0.785	S	S	*	*				52	135.5	73.8	-61.3	90.9	0	0	0	114
350	S	32.9	Very low	34.4	Very low	102 Å²	102	131 Å²	131	71%	0.713	79%	0.792	S	S	*	*			cis	-173.2	165.4	-11.6	-100.9	0	0	0	0	111.2
351	G	34.2	Very low	34.5	Very low	63 Å²	63	132.9 Å²	132.9	65%	0.649	79%	0.793	S	S	*	*			trans	94.4	162.8	150.9	0	0	0	0	0	117.8
352	E	33.6	Very low	34.6	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	79%	0.791	S	S	*	*			cis	-177.7	165.3	-11.3	-109.6	146.3	-100.5	0	0	106.8
353	V	33	Very low	34.7	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	79%	0.785	S	S	*	*			cis	-154.4	143.2	10.4	-115	0	0	0	0	111.2
354	D	34	Very low	34.8	Very low	151 Å²	151	141 Å²	141	81%	0.807	78%	0.784	S	S	*	*			trans	67.8	177.7	137.1	-131.9	31.8	0	0	0	120.6
355	P	44.5	Very low	34.7	Very low	95 Å²	95	144.9 Å²	144.9	62%	0.617	79%	0.791	S	S	*	*				-135.9	155.9	-101.1	42.8	-25.7	0	0	0	117.8
356	L	30.2	Very low	33.1	Very low	177 Å²	177	144.3 Å²	144.3	93%	0.927	79%	0.789	S	S	*	*			trans	171	157.9	137.1	-96.5	165.8	0	0	0	110.9
357	S	36.9	Very low	32.1	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	80%	0.795	S	S	*	*			trans	64.8	53.8	163.7	-162.7	0	0	0	0	119.1
358	L	32.9	Very low	32.1	Very low	158 Å²	158	145.3 Å²	145.3	83%	0.827	80%	0.798	S	S	*	*			trans	-59.4	155.1	134.2	-67.5	166.3	0	0	0	108.2
359	Q	33.1	Very low	32	Very low	137 Å²	137	140.5 Å²	140.5	64%	0.64	79%	0.793	S	S	*	*			cis	-161.9	147.3	10.5	-149.5	171	-26.6	0	0	107.9
360	M	29	Very low	32	Very low	191 Å²	191	138.5 Å²	138.5	94%	0.941	80%	0.796	S	S	*	*	S	Bend	trans	-175.9	64.6	148.3	-92.5	-115.1	-75.3	0	0	110.7
361	D	29.7	Very low	31.7	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	80%	0.799	S	S	*	*	S	Bend	trans	-155.2	164.4	144.9	-124.1	-34.5	0	0	0	108.8
362	L	29.8	Very low	31.4	Very low	159 Å²	159	144.4 Å²	144.4	83%	0.832	81%	0.812	S	S	*	*			trans	66.2	62.1	-176.7	-56.9	177.5	0	0	0	117.5
363	L	28.6	Very low	31.2	Very low	146 Å²	146	142.8 Å²	142.8	76%	0.764	81%	0.814	S	S	*	*			trans	-141.8	95.2	144.5	-84.9	-174	0	0	0	111.4
364	S	29.5	Very low	31.1	Very low	119 Å²	119	148 Å²	148	83%	0.832	82%	0.821	S	S	*	*			trans	-162	45.9	165.3	-82.9	0	0	0	0	113.2
365	L	28.4	Very low	30.9	Very low	178 Å²	178	149.1 Å²	149.1	93%	0.932	82%	0.821	S	S	*	*	S	Bend	trans	-143.6	59.5	166.5	-80	-175.4	0	0	0	111.8
366	S	27.1	Very low	30.7	Very low	106 Å²	106	149.5 Å²	149.5	74%	0.741	82%	0.823	S	S	*	*			trans	-157.4	58.1	170.5	66.6	0	0	0	0	114
367	S	29.6	Very low	31.2	Very low	116 Å²	116	147.2 Å²	147.2	81%	0.811	82%	0.819	S	S	*	*			trans	-125.1	97.7	165.9	40.9	0	0	0	0	109.5
368	Q	31.9	Very low	30.9	Very low	198 Å²	198	146.7 Å²	146.7	93%	0.925	82%	0.815	S	S	*	*			trans	-79.9	127	175.6	-64.1	175.6	5.7	0	0	109.8
369	T	30.2	Very low	30.6	Very low	124 Å²	124	151.4 Å²	151.4	76%	0.761	82%	0.822	S	S	*	*			trans	-125.7	142.5	159.1	52.7	0	0	0	0	108.8	S371	T369-S371 PolarHBondContact O-N 3.4Å
370	P	32	Very low	30.5	Very low	131 Å²	131	153.1 Å²	153.1	85%	0.851	83%	0.83	S	S	*	*			trans	-75.1	126.6	-170.4	28.8	-34.3	0	0	0	111.8
371	S	28.1	Very low	30.4	Very low	110 Å²	110	150.4 Å²	150.4	77%	0.769	82%	0.82	S	S	*	*			trans	-79.3	126.6	177.9	-45.9	0	0	0	0	111.8	T369	T369-S371 PolarHBondContact O-N 3.4Å
372	L	27.5	Very low	30.4	Very low	180 Å²	180	149.8 Å²	149.8	94%	0.942	81%	0.812	S	S	*	*			trans	-83.9	108.3	163.7	-72.3	172.6	0	0	0	109.3
373	T	30.1	Very low	30.3	Very low	136 Å²	136	149.3 Å²	149.3	83%	0.834	81%	0.806	S	S	*	*			trans	-84.1	132.6	175.1	49.6	0	0	0	0	111.6
374	R	29.7	Very low	30.4	Very low	235 Å²	235	151.7 Å²	151.7	89%	0.887	81%	0.813	S	S	*	*			trans	-140.7	116.4	167.8	179.9	179.1	-177.5	151.8	2.6	110
375	E	29.3	Very low	30.4	Very low	173 Å²	173	151.1 Å²	151.1	81%	0.808	82%	0.816	S	S	*	*			trans	-159	164	172.5	-95.5	-40.2	139.9	0	0	107.6
376	P	40.2	Very low	30.3	Very low	104 Å²	104	146.1 Å²	146.1	68%	0.675	81%	0.807	S	S	*	*				-115.9	175.4	-99	41.4	-36.5	0	0	0	114.5
377	P	41.4	Very low	30.4	Very low	129 Å²	129	147.9 Å²	147.9	84%	0.838	81%	0.808	S	S	*	*			trans	-102.5	139.8	165.8	36.3	-28.2	0	0	0	112.9
378	S	29.8	Very low	30.3	Very low	103 Å²	103	146 Å²	146	72%	0.72	81%	0.807	S	S	*	*			trans	-134.3	147.5	157.1	61.5	0	0	0	0	109
379	W	26.8	Very low	30.2	Very low	256 Å²	256	146.3 Å²	146.3	97%	0.97	80%	0.801	S	S	*	*			trans	170.1	159.6	151.2	-86.1	115.4	0	0	0	107.1
380	Q	31.7	Very low	30.1	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	80%	0.804	S	S	*	*			trans	-137.6	175	-154.7	-149.7	172.9	9.9	0	0	112.8
381	N	26.6	Very low	30	Very low	134 Å²	134	149 Å²	149	72%	0.717	81%	0.806	S	S	*	*			trans	85.5	145.8	171.7	-61.9	-19.7	0	0	0	117.7
382	Q	30.8	Very low	30.3	Very low	135 Å²	135	150.8 Å²	150.8	63%	0.631	80%	0.803	S	S	*	*			cis	-166.2	148.6	-18.3	175.7	166.6	3.9	0	0	109.8
383	E	27.8	Very low	31	Very low	150 Å²	150	147.8 Å²	147.8	70%	0.701	79%	0.794	S	S	*	*			trans	39.4	125.7	160.4	-69.2	158.4	-159.1	0	0	121.8
384	Q	29.4	Very low	31	Very low	195 Å²	195	148.8 Å²	148.8	91%	0.911	79%	0.789	S	S	*	*				-166.2	171.7	92	-98	178.8	20.9	0	0	111.3
385	A	29.9	Very low	32.1	Very low	108 Å²	108	142.4 Å²	142.4	89%	0.893	78%	0.778	S	S	*	*			trans	-110	161.1	-169.7	0	0	0	0	0	113.6
386	G	26.8	Very low	31.8	Very low	73 Å²	73	140.9 Å²	140.9	75%	0.753	78%	0.776	S	S	*	*			trans	-178.6	132.9	170.8	0	0	0	0	0	112.9
387	D	28.5	Very low	32.6	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	77%	0.772	S	S	*	*			trans	-77.7	164.3	-178.3	-54.2	-103.2	0	0	0	113.9	Y389	D387-Y389 HydrophobicContact CB-CE1 4.45Å; D387-Y389 WeakPolarHBondContact CB-OH 3.19Å
388	G	26.9	Very low	31.9	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	77%	0.771	S	S	*	*			trans	-177.5	86.4	176.6	0	0	0	0	0	115.9
389	Y	29.8	Very low	31.9	Very low	205 Å²	205	140.3 Å²	140.3	80%	0.804	78%	0.776	S	S	*	*			trans	-77.9	161	178.2	-20.5	-89.2	0	0	0	113.1	D387	D387-Y389 HydrophobicContact CB-CE1 4.45Å; D387-Y389 WeakPolarHBondContact CB-OH 3.19Å
390	G	28.1	Very low	32	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	77%	0.768	S	S	*	*			trans	160.9	141	159.3	0	0	0	0	0	116.5
391	Y	31.7	Very low	32.3	Very low	231 Å²	231	133.1 Å²	133.1	91%	0.906	77%	0.769	S	S	*	*			trans	-129.5	166.5	169.2	-155.4	-91.9	0	0	0	108.7
392	E	33.2	Very low	32.6	Very low	149 Å²	149	132.8 Å²	132.8	70%	0.696	77%	0.772	S	S	*	*			trans	-59.2	156.4	-179.9	-131.5	-155	119.2	0	0	113.8
393	P	43.3	Very low	34	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	78%	0.775	S	S	*	*				-157.7	178.2	80	41.9	-21.2	0	0	0	119.1
394	Q	29.1	Very low	34	Very low	157 Å²	157	132 Å²	132	73%	0.734	78%	0.782	S	S	*	*			trans	-59	177.4	154.1	-96.2	-111.8	-56.2	0	0	114.2
395	P	52.5	Low	34.1	Very low	100 Å²	100	130 Å²	130	65%	0.649	77%	0.772	S	S	*	*			cis	-146.4	-169.3	22.2	38.9	-14.9	0	0	0	118.9
396	D	24.1	Very low	34	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	77%	0.765	S	S	*	*			trans	76.7	173.7	144.6	-104.1	9.4	0	0	0	121.4
397	P	57.4	Low	34	Very low	94 Å²	94	135.7 Å²	135.7	61%	0.61	77%	0.768	S	S	*	*				-138.7	-166	-76.5	36.3	-13.3	0	0	0	116.9
398	T	26.8	Very low	33.9	Very low	131 Å²	131	134.7 Å²	134.7	80%	0.804	77%	0.773	S	S	*	*			trans	108.8	123.8	151.4	72	0	0	0	0	124.2
399	A	28.4	Very low	34	Very low	100 Å²	100	139.9 Å²	139.9	83%	0.826	78%	0.776	S	S	*	*			trans	64.2	140.6	131	0	0	0	0	0	126.2
400	D	30.2	Very low	33.9	Very low	150 Å²	150	136.8 Å²	136.8	80%	0.802	78%	0.783	S	S	*	*			trans	-80.2	170.6	171.4	-49.4	-84.5	0	0	0	114.8
401	P	37.3	Very low	33.8	Very low	127 Å²	127	140.5 Å²	140.5	83%	0.825	78%	0.784	S	S	*	*				-146.9	-179.3	102.3	39.6	-23.8	0	0	0	116.2
402	T	32.4	Very low	33.6	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	78%	0.776	S	S	*	*			trans	-123.6	-144.2	-167.9	49.2	0	0	0	0	115.4
403	P	60.3	Low	33.2	Very low	107 Å²	107	138.5 Å²	138.5	70%	0.695	78%	0.782	S	S	*	*				-126.6	155.3	-106.1	39.3	-21.8	0	0	0	118.4
404	L	29	Very low	32.4	Very low	160 Å²	160	138.2 Å²	138.2	84%	0.838	78%	0.782	S	S	*	*			trans	-155.2	166.5	177.9	-68.9	178.7	0	0	0	112.6
405	Q	30.7	Very low	32.2	Very low	153 Å²	153	135.3 Å²	135.3	72%	0.715	78%	0.78	S	S	*	*			cis	-171.6	169.9	-48.9	-129.6	-174.9	81.8	0	0	112.4
406	I	27.1	Very low	30.9	Very low	144 Å²	144	140.9 Å²	140.9	74%	0.738	79%	0.789	S	S	*	*			trans	86.2	148.7	152.4	-73.9	165.4	0	0	0	122.8
407	L	27.4	Very low	31	Very low	157 Å²	157	139 Å²	139	82%	0.822	79%	0.787	S	S	*	*			trans	-47.7	151.8	-176.6	-62.1	152.8	0	0	0	119.9
408	S	25.5	Very low	29.4	Very low	122 Å²	122	138.9 Å²	138.9	85%	0.853	79%	0.794	S	S	*	*				-173.9	167	110.8	50	0	0	0	0	112.8
409	Q	29.9	Very low	29.3	Very low	185 Å²	185	137.4 Å²	137.4	86%	0.864	80%	0.795	S	S	*	*			trans	-115.9	151.1	179.8	-64.7	178.6	1.9	0	0	111.8
410	C	28.1	Very low	29.2	Very low	140 Å²	140	138.5 Å²	138.5	95%	0.946	80%	0.795	S	S	*	*			trans	-141.3	156.1	153.6	-90.6	0	0	0	0	109.9
411	N	26.2	Very low	30	Very low	158 Å²	158	137.6 Å²	137.6	85%	0.845	80%	0.798	S	S	*	*			trans	-124.2	-161.6	-160.9	-160.8	-17.8	0	0	0	111.1
412	V	26.5	Very low	29.6	Very low	120 Å²	120	135 Å²	135	73%	0.727	79%	0.793	S	S	*	*			trans	87.9	125.7	-178.6	-178.4	0	0	0	0	112.2
413	R	25.1	Very low	29.5	Very low	218 Å²	218	137.4 Å²	137.4	82%	0.823	80%	0.796	S	S	*	*			cis	-153.7	145.7	-2.5	-105.1	165	-172.8	-172.2	2.5	107.2
414	S	25.5	Very low	28	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	80%	0.798	S	S	*	*				42.8	135.6	86.4	-68.3	0	0	0	0	116.2
415	S	25.3	Very low	28	Very low	96 Å²	96	134 Å²	134	67%	0.671	79%	0.788	S	S	*	*			cis	-177.7	174.8	3.4	42	0	0	0	0	112.6
416	Y	25.3	Very low	28.1	Very low	217 Å²	217	134.1 Å²	134.1	85%	0.851	79%	0.788	S	S	*	*			trans	90.2	124	155	-88.3	-78	0	0	0	123.7
417	S	26.1	Very low	28.3	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	78%	0.782	S	S	*	*			trans	64.4	107.3	139	-81.7	0	0	0	0	126.1
418	A	25.3	Very low	28.3	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	77%	0.774	S	S	*	*				84	148	99.9	0	0	0	0	0	124.4
419	A	24.9	Very low	28.5	Very low	100 Å²	100	132.2 Å²	132.2	83%	0.826	76%	0.762	S	S	*	*			trans	85.4	121.2	152.6	0	0	0	0	0	121.7
420	C	25.6	Very low	28.7	Very low	122 Å²	122	129.4 Å²	129.4	82%	0.824	75%	0.749	S	S	*	*			trans	-88.2	178.7	155.6	-35.8	0	0	0	0	109.2
421	P	47	Very low	28.6	Very low	132 Å²	132	132.2 Å²	132.2	86%	0.857	74%	0.739	S	S	*	*				-159.3	174.3	63.4	42.4	-20.8	0	0	0	119.4
422	G	27.8	Very low	28.8	Very low	71 Å²	71	132.1 Å²	132.1	73%	0.732	74%	0.737	S	S	*	*			trans	94.7	148.4	151.4	0	0	0	0	0	117.6
423	Q	31.9	Very low	28.7	Very low	179 Å²	179	131.2 Å²	131.2	84%	0.836	74%	0.736	S	S	*	*			cis	-151	155.3	-5.1	-64.5	-173.9	-4.1	0	0	111.6
424	S	27.8	Very low	28.9	Very low	106 Å²	106	128.5 Å²	128.5	74%	0.741	73%	0.733	S	S	*	*			trans	54.8	143	148.7	60.9	0	0	0	0	121.2
425	S	29.5	Very low	29.1	Very low	89 Å²	89	130.5 Å²	130.5	62%	0.622	74%	0.735	S	S	*	*			cis	-158.5	142.5	0.9	-134.5	0	0	0	0	112.2
426	Q	32	Very low	29.3	Very low	156 Å²	156	129.5 Å²	129.5	73%	0.729	74%	0.74	S	S	*	*			trans	48.5	155.6	138.6	-59.2	169.3	-57.2	0	0	121.3
427	Q	32.2	Very low	29.4	Very low	131 Å²	131	122.9 Å²	122.9	61%	0.612	74%	0.737	S	S	*	*			cis	-170.9	154.1	-18.8	-99.8	170.4	-98.8	0	0	103.4
428	H	28	Very low	29.8	Very low	138 Å²	138	125.7 Å²	125.7	64%	0.639	74%	0.744	S	S	*	*			cis	-151.2	164.1	5.8	-105.8	-33.9	0	0	0	106.4
429	D	28.3	Very low	30.2	Very low	114 Å²	114	130.5 Å²	130.5	61%	0.61	75%	0.748	S	S	*	*				65.9	138.2	56.6	-59.6	-47.8	0	0	0	114.8
430	H	33.8	Very low	30.4	Very low	127 Å²	127	137.2 Å²	137.2	59%	0.588	75%	0.751	S	S	*	*			cis	-169.5	159.8	9.7	-127.8	16.8	0	0	0	113.3
431	R	27.7	Very low	31.7	Very low	198 Å²	198	136.5 Å²	136.5	75%	0.747	75%	0.746	S	S	*	*			trans	68.9	163.5	145.7	-71.2	175.9	-166.4	177.7	13.1	119
432	I	29.2	Very low	32	Very low	157 Å²	157	135.8 Å²	135.8	81%	0.805	74%	0.741	S	S	*	*			cis	-140.7	179.3	3	-137.3	156.5	0	0	0	112.2
433	S	25.2	Very low	32.2	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	74%	0.742	S	S	*	*			trans	-125.9	175.1	-172.1	-169.1	0	0	0	0	114.1
434	E	28.2	Very low	32.3	Very low	160 Å²	160	136.3 Å²	136.3	75%	0.748	74%	0.738	S	S	*	*			trans	105.7	147.6	149	-55.7	-146.3	124.4	0	0	123
435	N	30.2	Very low	32.6	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	74%	0.74	S	S	*	*			trans	79.6	132.3	158.8	-61.3	-51.7	0	0	0	120.5
436	G	29.4	Very low	32.6	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	75%	0.754	S	S	*	*			cis	165.6	140.2	-12.6	0	0	0	0	0	117
437	G	28.3	Very low	32.6	Very low	77 Å²	77	143.3 Å²	143.3	79%	0.794	76%	0.764	S	S	*	*			trans	76.8	172.9	163.5	0	0	0	0	0	118.3
438	L	34.5	Very low	32.4	Very low	160 Å²	160	140.1 Å²	140.1	84%	0.838	77%	0.766	S	S	*	*			cis	-171.4	151.2	-19.5	-123.9	173.5	0	0	0	111.5
439	K	32.6	Very low	32.6	Very low	194 Å²	194	142.7 Å²	142.7	84%	0.843	78%	0.779	S	S	*	*			trans	91.9	158.4	163.9	-58	171.4	-176.7	175.4	0	120.2
440	R	29.7	Very low	32.6	Very low	240 Å²	240	141.7 Å²	141.7	91%	0.906	78%	0.78	S	S	*	*			trans	-124.7	-174.5	-174.5	-68.5	-178.4	-178.8	165.1	-1.3	108.9
441	P	52.4	Low	32.2	Very low	108 Å²	108	144.5 Å²	144.5	70%	0.701	79%	0.791	S	S	*	*			cis	-118.9	-138.8	-4.5	48	-31.7	0	0	0	109.3
442	P	53.8	Low	32.1	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	79%	0.786	S	S	*	*			cis	-81.3	-167.3	-0.8	42.2	-40.7	0	0	0	110.9
443	M	32.1	Very low	31.9	Very low	155 Å²	155	140.4 Å²	140.4	76%	0.764	79%	0.787	S	S	*	*			cis	74.7	144.9	12.6	-50.5	-55.5	-69.6	0	0	115.4
444	S	33.9	Very low	31.8	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	79%	0.789	S	S	*	*			cis	-128.8	177.6	-9.2	-74.2	0	0	0	0	107.8
445	A	33.2	Very low	31.6	Very low	95 Å²	95	145 Å²	145	79%	0.785	80%	0.799	S	S	*	*			cis	-143	-126.4	17.6	0	0	0	0	0	113.1
446	M	31	Very low	31.6	Very low	188 Å²	188	145.5 Å²	145.5	93%	0.926	80%	0.801	S	S	*	*			trans	-152.9	129.6	-161.8	-66.3	-174.4	155.1	0	0	114.7
447	K	31.8	Very low	31.5	Very low	215 Å²	215	150.8 Å²	150.8	94%	0.935	81%	0.805	S	S	*	*				176.9	131.5	122.4	-163	173.8	-173.9	-178.5	0	107.8
448	G	27.2	Very low	31.9	Very low	63 Å²	63	153.1 Å²	153.1	65%	0.649	81%	0.806	S	S	*	*			cis	163.3	82.3	-6.2	0	0	0	0	0	112.5
449	Q	32.4	Very low	31.5	Very low	193 Å²	193	150.3 Å²	150.3	90%	0.902	81%	0.806	S	S	*	*			trans	65.1	156.7	163.5	-67.8	172.6	-31.9	0	0	116.8
450	S	27.8	Very low	31.3	Very low	92 Å²	92	145.5 Å²	145.5	64%	0.643	80%	0.802	S	S	*	*			cis	-157.5	142.3	10.8	112	0	0	0	0	112.6
451	F	25.2	Very low	31.6	Very low	186 Å²	186	140.4 Å²	140.4	82%	0.816	80%	0.8	S	S	*	*			trans	47.7	151.3	152.3	-67.2	-96.1	0	0	0	121.6
452	S	25.2	Very low	30.3	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	81%	0.809	S	S	*	*			cis	-170.4	170.8	-25.1	52.6	0	0	0	0	111.6
453	E	25.2	Very low	29.1	Very low	178 Å²	178	146.9 Å²	146.9	83%	0.832	81%	0.811	S	S	*	*			trans	-19.5	159.7	152.6	-65.2	171.6	116.9	0	0	118.6
454	S	24.7	Very low	28.8	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	81%	0.813	S	S	*	*			cis	-171.9	142	-18.2	-178.1	0	0	0	0	107.1
455	W	23.8	Very low	28.5	Very low	249 Å²	249	152.8 Å²	152.8	94%	0.943	81%	0.811	S	S	*	*			trans	-96.1	132.9	-173.7	-95.4	69.3	0	0	0	114
456	L	28.8	Very low	28.6	Very low	164 Å²	164	152.3 Å²	152.3	86%	0.859	80%	0.8	S	S	*	*			trans	-108.5	149.2	162.2	-75.4	167.6	0	0	0	109.7
457	Q	28.4	Very low	28.8	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	79%	0.787	S	S	*	*			trans	-71.9	170.1	172.7	-91.2	166.7	-46.2	0	0	111.9
458	P	36.5	Very low	29.1	Very low	126 Å²	126	147.1 Å²	147.1	82%	0.818	78%	0.783	S	S	*	*			cis	-136.8	172.3	21.6	41.7	-24.4	0	0	0	117.6
459	A	25.8	Very low	30.3	Very low	102 Å²	102	146.3 Å²	146.3	84%	0.843	76%	0.763	S	S	*	*			trans	-144.1	160.7	162.7	0	0	0	0	0	110.5
460	A	28.6	Very low	31.1	Very low	92 Å²	92	145.8 Å²	145.8	76%	0.76	75%	0.753	S	S	*	*			trans	-95.3	174.6	-173.1	0	0	0	0	0	112.2
461	P	34.9	Very low	32	Very low	133 Å²	133	143.6 Å²	143.6	86%	0.864	74%	0.736	S	S	*	*			trans	-78.5	147.8	-169	32.8	-34.4	0	0	0	113.2
462	E	25.6	Very low	33.3	Very low	189 Å²	189	138 Å²	138	88%	0.883	71%	0.712	S	S	*	*			trans	-107.4	129.2	176.2	-168.3	171.3	-135.4	0	0	110	Y464	E462-Y464 PolarHBondContact O-N 2.91Å
463	E	29.2	Very low	34.4	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	71%	0.713	S	S	*	*			trans	-81.6	102.8	-178.7	-68	-171.6	146	0	0	111	Y465	E463-Y465 PolarHBondContact O-N 3.44Å
464	Y	26.5	Very low	35.3	Very low	204 Å²	204	134.6 Å²	134.6	80%	0.8	69%	0.689	S	S	*	*			trans	-72.8	91.6	-178.8	-168.1	-92.5	0	0	0	112.3	E462	E462-Y464 PolarHBondContact O-N 2.91Å
465	Y	27.1	Very low	35.7	Very low	183 Å²	183	138.5 Å²	138.5	72%	0.718	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-71.3	132.2	164.1	-93.3	-88.3	0	0	0	110.5	E463	E463-Y465 PolarHBondContact O-N 3.44Å
466	P	35.5	Very low	36.5	Very low	84 Å²	84	131 Å²	131	55%	0.545	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-68.9	156.8	175	30.1	-35.4	0	0	0	111.4	K468	P466-K468 PolarHBondContact O-N 3.29Å
467	P	35.3	Very low	36.7	Very low	101 Å²	101	132.1 Å²	132.1	66%	0.656	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-53.7	131.8	171.2	-24.9	34.5	0	0	0	111.3	L469	P467-L469 PolarHBondContact O-N 3.05Å
468	K	37.7	Very low	36.9	Very low	194 Å²	194	127.6 Å²	127.6	84%	0.843	67%	0.67	S	S	*	*			trans	-75.4	92.9	176.7	-68	177.9	-177.8	173.1	0	109.1	P466 R470	P466-K468 PolarHBondContact O-N 3.29Å; K468-R470 PolarHBondContact O-N 3.29Å
469	L	52.1	Low	36.6	Very low	46 Å²	46	130.9 Å²	130.9	24%	0.241	67%	0.674	C	S	.	*			trans	-47.1	138.3	168.5	-67.4	174.1	0	0	0	109.8	P189 P467 T471	P189-L469 HydrophobicContact CG-CD1 3.83Å; P467-L469 PolarHBondContact O-N 3.05Å; L469-T471 VanDerWaalsContact C-N 3.32Å; L469-T471 PolarHBondContact O-N 3.01Å
470	R	49.1	Very low	36.9	Very low	181 Å²	181	133.9 Å²	133.9	68%	0.683	67%	0.67	S	S	*	*			trans	-88.3	72.2	-167.7	-161.7	-174.7	-168.6	-175.9	4.6	111.1	D201 E202 K468 Q472	D201-R470 PolarHBondContact O-N 3.2Å; E202-R470 HydrophobicContact CG-CB 4.35Å; E202-R470 WeakPolarHBondContact OE1-CD 3.48Å; E202-R470 IonicContact OE1-NH1 3.4Å; K468-R470 PolarHBondContact O-N 3.29Å; R470-Q472 PolarHBondContact O-N 3.17Å; R470-Q472 VanDerWaalsContact O-N 3.14Å
471	T	45.9	Very low	36.9	Very low	46 Å²	46	137.3 Å²	137.3	28%	0.282	68%	0.676	S	S	.	*			trans	-58	116.8	178.5	-52.2	0	0	0	0	111.7	E205 L469 K473	E205-T471 HydrophobicContact CB-CG2 3.39Å; E205-T471 HydrophobicContact CG-CG2 4.44Å; E205-T471 WeakPolarHBondContact OE2-CG2 3.21Å; L469-T471 VanDerWaalsContact C-N 3.32Å; L469-T471 PolarHBondContact O-N 3.01Å; T471-K473 HydrophobicContact CG2-CG 4.04Å; T471-K473 PolarHBondContact O-N 3.41Å
472	Q	53.9	Low	36.5	Very low	69 Å²	69	133.8 Å²	133.8	32%	0.322	66%	0.664	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.5	99.8	164.9	-64.8	-168.8	16.6	0	0	108.9	E202 R470	E202-Q472 PolarHBondContact OE2-NE2 3.32Å; R470-Q472 PolarHBondContact O-N 3.17Å; R470-Q472 VanDerWaalsContact O-N 3.14Å
473	K	48.7	Very low	36.5	Very low	152 Å²	152	135.5 Å²	135.5	66%	0.661	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.7	121.2	175.1	-64.7	-167.5	173.1	-163.9	0	110.2	T471 F475	T471-K473 HydrophobicContact CG2-CG 4.04Å; T471-K473 PolarHBondContact O-N 3.41Å; K473-F475 PolarHBondContact O-N 3.04Å
474	S	43.7	Very low	36.4	Very low	46 Å²	46	132.3 Å²	132.3	32%	0.322	67%	0.665	S	S	.	*			trans	-67.7	122.7	168.7	44.4	0	0	0	0	109.5
475	F	32.8	Very low	36.7	Very low	190 Å²	190	127 Å²	127	83%	0.833	66%	0.658	S	S	*	*			trans	-104.2	139.3	179.8	-138	-83.5	0	0	0	109.6	K473	K473-F475 PolarHBondContact O-N 3.04Å
476	A	40	Very low	36.7	Very low	90 Å²	90	124.1 Å²	124.1	74%	0.744	66%	0.655	S	S	*	*			trans	-137.9	85.8	-175.9	0	0	0	0	0	111.8
477	E	32.7	Very low	36.6	Very low	188 Å²	188	128.4 Å²	128.4	88%	0.879	67%	0.665	S	S	*	*			trans	-163.2	171	152.8	-117.2	172.4	-179.6	0	0	110.7
478	V	32.3	Very low	36.3	Very low	93 Å²	93	135.5 Å²	135.5	56%	0.564	68%	0.679	S	S	*	*			trans	-136.7	138.1	-153.6	177.3	0	0	0	0	112.7
479	Q	30.5	Very low	35.9	Very low	194 Å²	194	130.9 Å²	130.9	91%	0.907	67%	0.671	S	S	*	*			trans	-177.3	169.1	132.2	-100.8	175.4	27.5	0	0	114.2
480	H	33.1	Very low	34.7	Very low	165 Å²	165	136.3 Å²	136.3	76%	0.764	70%	0.699	S	S	*	*			trans	-102.5	146.5	-159.1	-73.4	-90.7	0	0	0	116.5
481	N	27.6	Very low	33.8	Very low	164 Å²	164	132.7 Å²	132.7	88%	0.877	70%	0.701	S	S	*	*				175.1	143.4	117.3	-86.2	-20.6	0	0	0	109.3
482	G	27.3	Very low	33	Very low	60 Å²	60	137 Å²	137	62%	0.619	72%	0.722	S	S	*	*			cis	127.4	94.9	-3.3	0	0	0	0	0	112.8
483	F	25.3	Very low	31.8	Very low	224 Å²	224	140.7 Å²	140.7	98%	0.982	74%	0.739	S	S	*	*			trans	-168.4	164.3	156.1	-109.7	-69.4	0	0	0	111.6
484	S	28.4	Very low	30.8	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	74%	0.735	S	S	*	*			trans	-136.9	139.8	-176.3	164.9	0	0	0	0	110.7
485	S	30.8	Very low	29.9	Very low	94 Å²	94	141.9 Å²	141.9	66%	0.657	75%	0.754	S	S	*	*				174.3	145.1	116.3	-118.5	0	0	0	0	116.6
486	D	28.6	Very low	29.7	Very low	122 Å²	122	140.4 Å²	140.4	65%	0.652	75%	0.75	S	S	*	*			trans	68.2	158.3	140.1	-78.2	-68.7	0	0	0	125.5
487	K	32.6	Very low	29.3	Very low	174 Å²	174	146 Å²	146	76%	0.757	75%	0.752	S	S	*	*			trans	-98.1	142.6	-166.6	-29.8	94.4	-177.7	151.6	0	112.1
488	R	28.6	Very low	29.2	Very low	249 Å²	249	141.8 Å²	141.8	94%	0.94	74%	0.735	S	S	*	*				-172.5	152.5	112.1	-107.2	173	172	170.5	-2.5	115.3
489	S	30.4	Very low	29.2	Very low	98 Å²	98	146.6 Å²	146.6	69%	0.685	74%	0.743	S	S	*	*			trans	-81.3	155.9	-178.5	53.1	0	0	0	0	115.6
490	I	26	Very low	29.2	Very low	160 Å²	160	143.4 Å²	143.4	82%	0.821	73%	0.733	S	S	*	*			trans	-173.1	130.9	131	-91.7	145.7	0	0	0	106
491	S	31.7	Very low	29	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	74%	0.736	S	S	*	*			cis	93.2	173.7	26.6	-160.2	0	0	0	0	114.7
492	L	28	Very low	28.9	Very low	138 Å²	138	135.2 Å²	135.2	72%	0.723	73%	0.732	S	S	*	*			trans	74.5	145.8	-143.7	-48.8	174.4	0	0	0	111.1
493	H	29.6	Very low	29	Very low	146 Å²	146	137.3 Å²	137.3	68%	0.676	74%	0.743	S	S	*	*			cis	-158.7	168.5	-11	-117.6	-13.5	0	0	0	108.7	F495	H493-F495 AromaticContact CD2-CE2 3.87Å; H493-F495 AromaticContact CE1-CE2 3.48Å; H493-F495 VanDerWaalsContact CE1-CE2 3.48Å; H493-F495 WeakPolarHBondContact CE1-CE2 3.25Å; H493-F495 AromaticContact CE1-CZ 3.66Å; H493-F495 AromaticContact NE2-CE2 3.37Å; H493-F495 WeakPolarHBondContact NE2-CE2 3.35Å; H493-F495 AromaticContact NE2-CZ 3.75Å
494	G	26.8	Very low	29.3	Very low	56 Å²	56	135.4 Å²	135.4	58%	0.577	74%	0.737	S	S	*	*			cis	171.7	162.7	-5.3	0	0	0	0	0	113.9
495	F	25.5	Very low	29.3	Very low	167 Å²	167	135.9 Å²	135.9	73%	0.732	74%	0.736	S	S	*	*			trans	62.5	158.5	160.6	-56.1	-70.5	0	0	0	121.6	H493	H493-F495 AromaticContact CD2-CE2 3.87Å; H493-F495 AromaticContact CE1-CE2 3.48Å; H493-F495 VanDerWaalsContact CE1-CE2 3.48Å; H493-F495 WeakPolarHBondContact CE1-CE2 3.25Å; H493-F495 AromaticContact CE1-CZ 3.66Å; H493-F495 AromaticContact NE2-CE2 3.37Å; H493-F495 WeakPolarHBondContact NE2-CE2 3.35Å; H493-F495 AromaticContact NE2-CZ 3.75Å
496	Q	28.6	Very low	29.3	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	74%	0.743	S	S	*	*				179.3	163.4	-67	173.7	170.7	11.1	0	0	110.4
497	R	30.2	Very low	29.4	Very low	208 Å²	208	136.5 Å²	136.5	79%	0.785	75%	0.751	S	S	*	*			trans	96	151.8	170.5	-60.4	-175	175.4	-89.2	6.3	114.8
498	D	31.2	Very low	29.2	Very low	100 Å²	100	136.7 Å²	136.7	54%	0.535	75%	0.754	S	S	.	*			cis	-170.6	158.3	-19	-90.4	-26.8	0	0	0	104.1
499	R	33.4	Very low	29.3	Very low	194 Å²	194	130.4 Å²	130.4	73%	0.732	74%	0.743	S	S	*	*			cis	-174.9	168.3	-12.9	-101.7	173.5	54.2	-133.8	-7.8	105.3
500	D	30.6	Very low	29	Very low	127 Å²	127	129.6 Å²	129.6	68%	0.679	74%	0.742	S	S	*	*			cis	-151.6	177.7	7.5	-97.6	-16.1	0	0	0	106.6
501	G	27.8	Very low	29	Very low	80 Å²	80	133.1 Å²	133.1	83%	0.825	75%	0.745	S	S	*	*			cis	158.8	14.3	-1.8	0	0	0	0	0	117.9
502	G	26	Very low	28.7	Very low	77 Å²	77	133 Å²	133	79%	0.794	74%	0.744	S	S	*	*			trans	-138.1	153.1	179	0	0	0	0	0	114.6
503	A	29.1	Very low	28.6	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	75%	0.751	S	S	*	*			cis	-141.4	-175.7	5	0	0	0	0	0	113.1
504	Q	30.8	Very low	28.8	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	76%	0.756	S	S	*	*			trans	-85.2	169	-169.2	-59	172.8	0.7	0	0	112
505	T	29.8	Very low	29.3	Very low	114 Å²	114	140.2 Å²	140.2	70%	0.699	77%	0.765	S	S	*	*				-164.9	149.9	51.7	49.1	0	0	0	0	116.7
506	T	29.3	Very low	29.6	Very low	131 Å²	131	139.1 Å²	139.1	80%	0.804	77%	0.765	S	S	*	*			trans	63.6	131.2	143.8	52.9	0	0	0	0	124.9
507	A	30.7	Very low	29.5	Very low	99 Å²	99	138.6 Å²	138.6	82%	0.818	77%	0.767	S	S	*	*			trans	70.1	158.3	142.9	0	0	0	0	0	120.5
508	Q	30.1	Very low	29.4	Very low	178 Å²	178	133 Å²	133	83%	0.832	77%	0.765	S	S	*	*			cis	-162.1	162.9	-45.8	-135.4	-166.3	30.2	0	0	110.4
509	V	29.4	Very low	29.3	Very low	117 Å²	117	136.5 Å²	136.5	71%	0.709	78%	0.783	S	S	*	*			trans	62.9	101.2	158.9	-175.9	0	0	0	0	120.8
510	A	24.2	Very low	28.9	Very low	80 Å²	80	133.5 Å²	133.5	66%	0.661	78%	0.782	S	S	*	*				21	144.7	126.7	0	0	0	0	0	125.4
511	R	25.8	Very low	28.8	Very low	235 Å²	235	136 Å²	136	89%	0.887	79%	0.787	S	S	*	*			trans	82.5	109.3	137.2	-82.2	175.2	-178.6	-177.6	1	122.8
512	S	25.5	Very low	28.8	Very low	102 Å²	102	138.4 Å²	138.4	71%	0.713	79%	0.786	S	S	*	*				93.5	130.7	113.4	73.3	0	0	0	0	124
513	R	27.1	Very low	29.1	Very low	228 Å²	228	142.6 Å²	142.6	86%	0.86	78%	0.784	S	S	*	*			trans	69	120	145.4	-75.2	178.7	168.5	176.2	-5	121.5
514	N	33.2	Very low	29.2	Very low	147 Å²	147	143 Å²	143	79%	0.786	77%	0.768	S	S	*	*				33.9	140.9	121.3	-61	33.8	0	0	0	119.2
515	P	38.3	Very low	29.2	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	75%	0.752	S	S	*	*				-158.3	153.8	61.3	42.8	-21.7	0	0	0	121.4
516	I	29.8	Very low	29.6	Very low	143 Å²	143	136.3 Å²	136.3	73%	0.733	74%	0.736	S	S	*	*				47.8	129.1	125.1	-53.4	176	0	0	0	122.4
517	N	27.9	Very low	30.2	Very low	147 Å²	147	134.7 Å²	134.7	79%	0.786	73%	0.728	S	S	*	*			trans	74.8	106.6	153.2	-73.5	-1	0	0	0	124.1
518	A	27.3	Very low	30.1	Very low	91 Å²	91	134.6 Å²	134.6	75%	0.752	71%	0.713	S	S	*	*				56.3	130.3	111.7	0	0	0	0	0	123.3
519	L	29.2	Very low	30.2	Very low	173 Å²	173	131.5 Å²	131.5	91%	0.906	70%	0.699	S	S	*	*			trans	-161.2	151	132.3	-94.7	-172.4	0	0	0	111
520	N	25.8	Very low	30.2	Very low	132 Å²	132	134 Å²	134	71%	0.706	70%	0.703	S	S	*	*			trans	-91.2	161.7	163	-74.6	-13.5	0	0	0	109
521	F	28.6	Very low	30.2	Very low	180 Å²	180	135.2 Å²	135.2	79%	0.789	70%	0.702	S	S	*	*				-177	166.4	62.9	-103.8	-78.6	0	0	0	113.1
522	T	26.9	Very low	30.8	Very low	130 Å²	130	129 Å²	129	80%	0.798	69%	0.692	S	S	*	*			trans	72.3	165.7	150.7	44.2	0	0	0	0	121.7
523	E	31.7	Very low	30.9	Very low	164 Å²	164	136 Å²	136	77%	0.766	70%	0.703	S	S	*	*			trans	-136.9	-168.5	-156.2	-59.2	178.4	56.9	0	0	111
524	Q	31.2	Very low	30.8	Very low	112 Å²	112	128.2 Å²	128.2	52%	0.523	69%	0.694	S	S	.	*			cis	-147.4	-123.4	12.3	-153.3	161.4	73.4	0	0	115
525	L	31.3	Very low	30.4	Very low	97 Å²	97	126.6 Å²	126.6	51%	0.508	69%	0.694	S	S	.	*			trans	-147.9	150	-147.1	-68.6	174.8	0	0	0	119.3
526	T	39.7	Very low	29.8	Very low	61 Å²	61	127.4 Å²	127.4	37%	0.374	69%	0.69	S	S	.	*			trans	70.7	142.4	144.4	53.2	0	0	0	0	122.6	L806 G807	T526-L806 HydrophobicContact CG2-CD2 4.12Å; T526-L806 WeakPolarHBondContact OG1-CA 3.34Å; T526-L806 PolarHBondContact OG1-N 3Å; T526-G807 PolarHBondContact OG1-N 2.82Å
527	P	40	Very low	29.8	Very low	97 Å²	97	127.9 Å²	127.9	63%	0.63	69%	0.689	S	S	*	*				-139	153.6	97.4	33	-15.2	0	0	0	115.8
528	L	30.4	Very low	30	Very low	96 Å²	96	125.9 Å²	125.9	50%	0.503	69%	0.686	S	S	.	*				77.8	142.6	76.8	-146.9	76.4	0	0	0	115.6	G807 E808	L528-G807 WeakPolarHBondContact CD2-O 3.38Å; L528-E808 HydrophobicContact CD1-CG 4.02Å; L528-E808 HydrophobicContact CD2-CG 3.99Å
529	E	31.2	Very low	30.3	Very low	114 Å²	114	129.3 Å²	129.3	53%	0.533	69%	0.691	S	S	.	*			cis	-114.2	-120.2	0.1	-159.3	-145.9	128.3	0	0	111.5	T531	E529-T531 WeakPolarHBondContact OE1-CB 3.38Å; E529-T531 WeakPolarHBondContact OE1-CG2 3.24Å; E529-T531 PolarHBondContact OE1-N 3.48Å; E529-T531 PolarHBondContact OE1-OG1 2.87Å
530	Q	29.3	Very low	30.2	Very low	169 Å²	169	125.3 Å²	125.3	79%	0.79	68%	0.683	S	S	*	*			cis	-145	144.8	-3	-164.4	136.2	86.3	0	0	115.6
531	T	25.2	Very low	30.6	Very low	105 Å²	105	126.8 Å²	126.8	64%	0.644	69%	0.69	S	S	*	*			trans	-83.4	-178.9	173.5	56	0	0	0	0	112.8	E529	E529-T531 WeakPolarHBondContact OE1-CB 3.38Å; E529-T531 WeakPolarHBondContact OE1-CG2 3.24Å; E529-T531 PolarHBondContact OE1-N 3.48Å; E529-T531 PolarHBondContact OE1-OG1 2.87Å
532	P	36.4	Very low	30.9	Very low	106 Å²	106	122.2 Å²	122.2	69%	0.688	68%	0.681	S	S	*	*			cis	-149.7	178.3	12.4	48	-28.6	0	0	0	119.8
533	R	28.1	Very low	31	Very low	247 Å²	247	123.1 Å²	123.1	93%	0.932	68%	0.68	S	S	*	*			trans	62.7	148	162.3	-53.1	-168.2	-175.9	-143.1	-1.8	118.7
534	G	24.5	Very low	31.1	Very low	66 Å²	66	119.1 Å²	119.1	68%	0.68	68%	0.676	S	S	*	*			cis	140.5	141.4	-8.9	0	0	0	0	0	114
535	S	26.5	Very low	31.2	Very low	112 Å²	112	120.7 Å²	120.7	78%	0.783	69%	0.693	S	S	*	*			trans	67.2	153.9	173.3	-71	0	0	0	0	116.9
536	M	25.8	Very low	31	Very low	133 Å²	133	118.9 Å²	118.9	66%	0.655	70%	0.697	S	S	*	*			cis	-159.2	159.6	-9.3	-111.9	152.2	72.6	0	0	110.1
537	E	28.8	Very low	30.5	Very low	154 Å²	154	123.9 Å²	123.9	72%	0.72	72%	0.722	S	S	*	*			trans	27.9	126.7	140.9	-55.9	157.3	-164.8	0	0	118.6
538	S	32.8	Very low	29.9	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	73%	0.731	S	S	*	*				177.9	168.3	70.7	-56.3	0	0	0	0	109.1
539	L	32.3	Very low	29.8	Very low	163 Å²	163	123.8 Å²	123.8	85%	0.853	74%	0.736	S	S	*	*			cis	-136.5	152.1	12	-78.7	166.1	0	0	0	110.4
540	A	28	Very low	29.7	Very low	90 Å²	90	126.4 Å²	126.4	74%	0.744	75%	0.754	S	S	*	*			trans	-104.1	-158.6	161.4	0	0	0	0	0	110.6
541	L	33.3	Very low	29.6	Very low	163 Å²	163	122.3 Å²	122.3	85%	0.853	76%	0.757	S	S	*	*			trans	110.1	131.1	172.8	-60.5	172.4	0	0	0	113
542	S	34.8	Very low	29.6	Very low	84 Å²	84	121.5 Å²	121.5	59%	0.587	77%	0.769	S	S	*	*			cis	-162.2	171.1	-16.4	-76.6	0	0	0	0	107
543	N	30.2	Very low	29.1	Very low	148 Å²	148	120.2 Å²	120.2	79%	0.791	78%	0.775	S	S	*	*			cis	-145.7	138.1	26.1	-73.8	-75.2	0	0	0	108.2
544	A	33.4	Very low	29.2	Very low	81 Å²	81	118.4 Å²	118.4	67%	0.669	77%	0.774	S	S	*	*				75.4	137.7	63.7	0	0	0	0	0	112.9
545	T	33.3	Very low	29.4	Very low	145 Å²	145	120.3 Å²	120.3	89%	0.89	78%	0.777	S	S	*	*			cis	-161.9	163.8	8.5	-0.8	0	0	0	0	108.7
546	G	27.5	Very low	29.6	Very low	58 Å²	58	124 Å²	124	60%	0.598	78%	0.782	S	S	*	*			cis	149.7	142.9	-8	0	0	0	0	0	113.3
547	N	29.6	Very low	29.8	Very low	166 Å²	166	123.2 Å²	123.2	89%	0.888	78%	0.78	S	S	*	*			trans	152.6	113.8	158.5	-82.4	-3.3	0	0	0	108.4
548	S	25.7	Very low	30.2	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	78%	0.775	S	S	*	*				90.8	125.3	56.7	-176.5	0	0	0	0	112.1
549	A	28.7	Very low	30.2	Very low	75 Å²	75	123.4 Å²	123.4	62%	0.62	78%	0.778	S	S	*	*			cis	-163	166.8	-8.7	0	0	0	0	0	112.2
550	D	28.4	Very low	30.3	Very low	170 Å²	170	121.2 Å²	121.2	91%	0.909	78%	0.776	S	S	*	*			trans	54.5	149.4	157.4	-62.8	-22.1	0	0	0	123.5
551	G	27.2	Very low	30.6	Very low	83 Å²	83	123.3 Å²	123.3	86%	0.856	76%	0.764	S	S	*	*			trans	132.6	84.8	162.8	0	0	0	0	0	115.9
552	G	25.3	Very low	30.7	Very low	87 Å²	87	120.8 Å²	120.8	90%	0.897	75%	0.747	S	S	*	*			trans	-100.6	138.9	174.9	0	0	0	0	0	113.9
553	G	27.5	Very low	30.5	Very low	79 Å²	79	121.7 Å²	121.7	81%	0.814	75%	0.753	S	S	*	*			trans	-178	139.8	173.6	0	0	0	0	0	111.7
554	K	28.5	Very low	30.9	Very low	210 Å²	210	118.9 Å²	118.9	91%	0.913	74%	0.736	S	S	*	*			trans	-111.7	134.5	-172.8	-69.3	178.9	-179.8	174.8	0	112.7
555	S	30.4	Very low	31	Very low	106 Å²	106	119.7 Å²	119.7	74%	0.741	74%	0.735	S	S	*	*			trans	52.1	108.3	141.9	176	0	0	0	0	119.7
556	Q	29.6	Very low	30.9	Very low	190 Å²	190	118.4 Å²	118.4	89%	0.888	72%	0.722	S	S	*	*				-146.1	31.9	127.4	-137.7	173.7	6.9	0	0	115.8	N558	Q556-N558 PolarHBondContact O-N 3.46Å
557	D	30.3	Very low	31.6	Very low	115 Å²	115	121.2 Å²	121.2	62%	0.615	72%	0.723	S	S	*	*			trans	-72	94	166.9	-77.5	-26.1	0	0	0	111	R561	D557-R561 VanDerWaalsContact CB-NH1 3.26Å; D557-R561 PolarHBondContact O-NH1 2.81Å; D557-R561 IonicContact OD2-NH2 3.46Å; D557-R561 PolarHBondContact OD2-NH2 3.09Å; D557-R561 VanDerWaalsContact OD2-NH2 3.13Å
558	N	37.8	Very low	32.1	Very low	114 Å²	114	116.4 Å²	116.4	61%	0.61	70%	0.702	S	S	*	*			trans	-157.2	94.8	161	-93.5	-33.7	0	0	0	111.4	Q556	Q556-N558 PolarHBondContact O-N 3.46Å
559	L	32.7	Very low	32.5	Very low	149 Å²	149	120 Å²	120	78%	0.78	70%	0.703	S	S	*	*	S	Bend	trans	-176	-36.3	149.1	-102.1	160.6	0	0	0	109.8	R561	L559-R561 PolarHBondContact O-N 3.09Å
560	S	34.4	Very low	32.7	Very low	116 Å²	116	124.1 Å²	124.1	81%	0.811	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	49	173.6	-158.4	0	0	0	0	113.4
561	R	33.5	Very low	33	Very low	134 Å²	134	120.7 Å²	120.7	51%	0.506	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.8	9.1	-179.1	-89.7	-170.2	174.3	121.3	14.8	115.4	D557 L559 S563	D557-R561 VanDerWaalsContact CB-NH1 3.26Å; D557-R561 PolarHBondContact O-NH1 2.81Å; D557-R561 IonicContact OD2-NH2 3.46Å; D557-R561 PolarHBondContact OD2-NH2 3.09Å; D557-R561 VanDerWaalsContact OD2-NH2 3.13Å; L559-R561 PolarHBondContact O-N 3.09Å; R561-S563 VanDerWaalsContact C-N 3.34Å
562	F	35.1	Very low	33.4	Very low	110 Å²	110	120.6 Å²	120.6	48%	0.482	70%	0.703	S	S	.	*			trans	-86.7	-0	174.6	-66.9	-70	0	0	0	114.3	P78 M564	P78-F562 HydrophobicContact CG-CE1 3.96Å; F562-M564 PolarHBondContact O-N 3.14Å; F562-M564 VanDerWaalsContact O-N 3.13Å
563	S	32	Very low	33.8	Very low	104 Å²	104	125 Å²	125	73%	0.727	70%	0.703	S	S	*	*			trans	-71	102.6	171.2	-59.3	0	0	0	0	110.8	R561	R561-S563 VanDerWaalsContact C-N 3.34Å
564	M	38.3	Very low	33.9	Very low	88 Å²	88	128.7 Å²	128.7	43%	0.433	70%	0.704	S	S	.	*	P	Polyproline II helix	trans	-56.8	148.6	167.1	-88.1	-74	-64.6	0	0	111.2	K105 L109 F562	K105-M564 HydrophobicContact CD-CE 4.28Å; L109-M564 HydrophobicContact CD2-CE 4.31Å; F562-M564 PolarHBondContact O-N 3.14Å; F562-M564 VanDerWaalsContact O-N 3.13Å
565	P	35.8	Very low	34.1	Very low	99 Å²	99	125.4 Å²	125.4	64%	0.643	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-55.9	143.4	174.7	-25.1	34.7	0	0	0	112.5	L567	P565-L567 PolarHBondContact O-N 3.24Å
566	D	31.4	Very low	34	Very low	117 Å²	117	125 Å²	125	63%	0.626	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-71.6	122.8	-179	-173.9	21.2	0	0	0	111.7	S568	D566-S568 VanDerWaalsContact C-N 3.27Å; D566-S568 PolarHBondContact O-N 2.91Å; D566-S568 PolarHBondContact OD1-N 3.22Å; D566-S568 VanDerWaalsContact OD2-CB 3.25Å; D566-S568 WeakPolarHBondContact OD2-CB 3.45Å; D566-S568 PolarHBondContact OD2-OG 3.42Å
567	L	40.9	Very low	34.1	Very low	117 Å²	117	122.3 Å²	122.3	61%	0.613	69%	0.685	S	S	*	*			trans	-88.2	10.9	-178	-61.8	176.5	0	0	0	112.7	P565 K569	P565-L567 PolarHBondContact O-N 3.24Å; L567-K569 PolarHBondContact O-N 3.43Å; L567-K569 VanDerWaalsContact O-N 3.13Å
568	S	39.8	Very low	34.1	Very low	65 Å²	65	124.6 Å²	124.6	46%	0.455	69%	0.69	S	S	.	*	G	3₁₀ helix	trans	-64.6	-9.6	-177.8	62.3	0	0	0	0	115.9	D566 S571	D566-S568 VanDerWaalsContact C-N 3.27Å; D566-S568 PolarHBondContact O-N 2.91Å; D566-S568 PolarHBondContact OD1-N 3.22Å; D566-S568 VanDerWaalsContact OD2-CB 3.25Å; D566-S568 WeakPolarHBondContact OD2-CB 3.45Å; D566-S568 PolarHBondContact OD2-OG 3.42Å; S568-S571 PolarHBondContact O-OG 2.92Å
569	K	35	Very low	33.8	Very low	191 Å²	191	125.1 Å²	125.1	83%	0.83	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-88.3	-14.4	-168	-94.6	-178.6	175	175.9	0	117.4	L567	L567-K569 PolarHBondContact O-N 3.43Å; L567-K569 VanDerWaalsContact O-N 3.13Å
570	D	32.4	Very low	33.6	Very low	163 Å²	163	125.9 Å²	125.9	87%	0.872	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-88.9	-0.5	-178.7	-78.7	-15.5	0	0	0	114.1	G572	D570-G572 VanDerWaalsContact C-N 3.32Å; D570-G572 PolarHBondContact O-N 2.96Å
571	S	36	Very low	33.3	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	71%	0.705	S	S	*	*			trans	-77.6	81.1	171.2	61.2	0	0	0	0	111.1	S568 M573	S568-S571 PolarHBondContact O-OG 2.92Å; S571-M573 PolarHBondContact O-N 3.39Å
572	G	34.6	Very low	33.1	Very low	81 Å²	81	128.4 Å²	128.4	84%	0.835	72%	0.719	S	S	*	*			trans	-65.9	89.3	-179.2	0	0	0	0	0	114.2	D570	D570-G572 VanDerWaalsContact C-N 3.32Å; D570-G572 PolarHBondContact O-N 2.96Å
573	M	33.7	Very low	32.8	Very low	181 Å²	181	128.2 Å²	128.2	89%	0.892	73%	0.727	S	S	*	*			trans	-129.2	132.9	162.4	-62.3	-167.6	87	0	0	109.6	S571	S571-M573 PolarHBondContact O-N 3.39Å
574	N	30.2	Very low	32.6	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	74%	0.736	S	S	*	*			trans	-87.8	130.8	174.2	85.7	91.2	0	0	0	110.2
575	V	31.4	Very low	32	Very low	141 Å²	141	134.2 Å²	134.2	86%	0.855	75%	0.752	S	S	*	*			trans	-144.2	138.5	149.2	-174.9	0	0	0	0	106.3
576	S	28.5	Very low	31.6	Very low	97 Å²	97	134 Å²	134	68%	0.678	75%	0.753	S	S	*	*			trans	-101.8	140.3	171.4	-175.2	0	0	0	0	109.1
577	E	31.2	Very low	31.6	Very low	134 Å²	134	133.3 Å²	133.3	63%	0.626	76%	0.757	S	S	*	*				165	129.9	116.4	-85.1	-165	169.9	0	0	114.5
578	K	30.6	Very low	31.2	Very low	163 Å²	163	133.4 Å²	133.4	71%	0.709	76%	0.762	S	S	*	*			trans	41.1	114.2	133.8	-47.5	164.8	-165.8	154.3	0	120.5
579	S	31.2	Very low	30.7	Very low	126 Å²	126	138.5 Å²	138.5	88%	0.881	78%	0.779	S	S	*	*				-165	165.2	129.3	49.1	0	0	0	0	111.9
580	N	29.3	Very low	30.3	Very low	165 Å²	165	137.8 Å²	137.8	88%	0.882	78%	0.776	S	S	*	*			trans	-97.2	170.4	-166.5	-102.4	-12.9	0	0	0	114.9
581	M	28.8	Very low	30	Very low	155 Å²	155	141.8 Å²	141.8	76%	0.764	78%	0.779	S	S	*	*			trans	-50.6	154.8	163.6	-62	-124.8	63.7	0	0	113.6
582	D	28.4	Very low	29.6	Very low	148 Å²	148	142.1 Å²	142.1	79%	0.791	78%	0.781	S	S	*	*				-157.8	-178.4	101.4	-131.5	-48	0	0	0	114
583	T	28.9	Very low	29.6	Very low	106 Å²	106	142.4 Å²	142.4	65%	0.65	77%	0.771	S	S	*	*			trans	-108.5	153.6	-158.6	-39.1	0	0	0	0	112.4
584	L	28.3	Very low	29.3	Very low	173 Å²	173	141.8 Å²	141.8	91%	0.906	77%	0.765	S	S	*	*			trans	-165.9	173.8	133.4	-105.9	173.4	0	0	0	112.9
585	N	24.6	Very low	29.3	Very low	144 Å²	144	140 Å²	140	77%	0.77	77%	0.765	S	S	*	*			trans	-143.7	-178.4	-161.7	-171.2	11.3	0	0	0	111.6
586	S	27.9	Very low	29.1	Very low	95 Å²	95	141 Å²	141	66%	0.664	76%	0.764	S	S	*	*			trans	76.3	124.1	-179.7	65.9	0	0	0	0	115.2
587	S	31.2	Very low	29.1	Very low	102 Å²	102	145.2 Å²	145.2	71%	0.713	77%	0.772	S	S	*	*			cis	81.7	138.8	40.2	84.6	0	0	0	0	113.3
588	V	32.7	Very low	28.9	Very low	120 Å²	120	144 Å²	144	73%	0.727	78%	0.779	S	S	*	*			cis	-140.5	-158	7.4	-129.5	0	0	0	0	109
589	Q	30.3	Very low	28.9	Very low	172 Å²	172	144.4 Å²	144.4	80%	0.804	79%	0.788	S	S	*	*			cis	-160.4	172.5	22.4	-151.7	169	103.4	0	0	113.5
590	F	25.1	Very low	28.9	Very low	175 Å²	175	146.8 Å²	146.8	77%	0.768	79%	0.791	S	S	*	*			trans	-58.9	153.8	177.2	-68.7	-107.3	0	0	0	117.5
591	R	27.6	Very low	28.9	Very low	248 Å²	248	143.2 Å²	143.2	94%	0.936	78%	0.784	S	S	*	*				-146.7	145	119	-79.3	-147.3	172	-143	-5.6	113.2
592	S	28.1	Very low	29.2	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	79%	0.789	S	S	*	*			trans	-91.5	178.1	172.5	-26.8	0	0	0	0	110.6
593	S	33.1	Very low	29.1	Very low	88 Å²	88	143.3 Å²	143.3	62%	0.615	79%	0.792	S	S	*	*			cis	-163.1	176	10.5	33.5	0	0	0	0	112.5
594	E	28.6	Very low	29.3	Very low	168 Å²	168	144.5 Å²	144.5	79%	0.785	80%	0.801	S	S	*	*			trans	96.6	142	140.5	-87.5	149.8	-98.6	0	0	123.7
595	S	28.6	Very low	29.2	Very low	118 Å²	118	147 Å²	147	83%	0.825	80%	0.8	S	S	*	*			trans	71.4	82.5	164.9	65.3	0	0	0	0	119.8
596	I	28.9	Very low	29.5	Very low	162 Å²	162	147.5 Å²	147.5	83%	0.831	80%	0.802	S	S	*	*			trans	-106.3	123.3	143.3	-66.6	177.4	0	0	0	108
597	H	27.8	Very low	29.4	Very low	184 Å²	184	150 Å²	150	85%	0.852	80%	0.803	S	S	*	*			trans	-165.2	160.3	145	-105.6	-72.5	0	0	0	109.5
598	S	26.7	Very low	29.3	Very low	109 Å²	109	153.6 Å²	153.6	76%	0.762	81%	0.811	S	S	*	*			trans	72.5	63.8	168.8	-53.1	0	0	0	0	118.5
599	L	29.9	Very low	29.2	Very low	171 Å²	171	153.4 Å²	153.4	90%	0.895	81%	0.806	S	S	*	*			trans	-144.8	73.5	138.9	-83.3	-168.3	0	0	0	110.6
600	N	32.1	Very low	29.5	Very low	176 Å²	176	150.1 Å²	150.1	94%	0.941	80%	0.799	S	S	*	*			trans	-135.1	74.7	162.3	-134.3	12	0	0	0	108.5
601	A	29.5	Very low	29.8	Very low	91 Å²	91	147.8 Å²	147.8	75%	0.752	80%	0.802	S	S	*	*			trans	-132.2	96.6	178.8	0	0	0	0	0	108.2	Q603	A601-Q603 PolarHBondContact O-N 2.58Å
602	S	34.4	Very low	29.8	Very low	123 Å²	123	147.8 Å²	147.8	86%	0.86	80%	0.802	S	S	*	*			trans	-72.5	111.6	174.2	47.3	0	0	0	0	110
603	Q	26.9	Very low	29.8	Very low	182 Å²	182	148.8 Å²	148.8	85%	0.85	81%	0.809	S	S	*	*			trans	-105.9	137.2	158.3	-78.8	-159.8	-27.5	0	0	109.9	A601 Y605	A601-Q603 PolarHBondContact O-N 2.58Å; Q603-Y605 PolarHBondContact O-N 2.96Å
604	P	32.4	Very low	29.4	Very low	130 Å²	130	150.4 Å²	150.4	84%	0.844	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-71.6	124.3	167.9	30.6	-31.7	0	0	0	108.9
605	Y	26.7	Very low	29.2	Very low	225 Å²	225	150.5 Å²	150.5	88%	0.882	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-91.7	143.5	171.4	-156.9	-93.9	0	0	0	110.5	Q603	Q603-Y605 PolarHBondContact O-N 2.96Å
606	L	30	Very low	29	Very low	156 Å²	156	154.1 Å²	154.1	82%	0.817	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.6	149.8	-173.7	-82.4	159.9	0	0	0	113.2
607	E	26.3	Very low	28.7	Very low	147 Å²	147	153.1 Å²	153.1	69%	0.687	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.2	128	177.5	-175.1	-179.7	-131.3	0	0	111.8	N609	E607-N609 PolarHBondContact OE2-ND2 3.33Å
608	M	29.4	Very low	28.5	Very low	177 Å²	177	152.1 Å²	152.1	87%	0.872	81%	0.807	S	S	*	*			trans	-102.2	111.4	162.1	-89.3	-72.5	110.2	0	0	108.7
609	N	29.8	Very low	28.3	Very low	116 Å²	116	153.5 Å²	153.5	62%	0.62	80%	0.801	S	S	*	*			trans	-70	145	-173.8	-100.2	-95.5	0	0	0	112.6	E607	E607-N609 PolarHBondContact OE2-ND2 3.33Å
610	P	36.9	Very low	28	Very low	103 Å²	103	155.1 Å²	155.1	67%	0.669	80%	0.797	S	S	*	*			trans	-79.4	149.6	177.6	33.2	-35.1	0	0	0	112.1	R612	P610-R612 PolarHBondContact O-N 2.97Å
611	P	31.6	Very low	27.6	Very low	126 Å²	126	152.2 Å²	152.2	82%	0.818	79%	0.789	S	S	*	*			trans	-72.4	112.9	173.7	29	-33.1	0	0	0	111.2
612	R	28.5	Very low	27.4	Very low	248 Å²	248	153.4 Å²	153.4	94%	0.936	78%	0.783	S	S	*	*			trans	-63.5	135	163.6	-88	-174.7	166.2	-163.2	-2.8	109.9	P610	P610-R612 PolarHBondContact O-N 2.97Å
613	S	28.1	Very low	27.1	Very low	124 Å²	124	153.3 Å²	153.3	87%	0.867	78%	0.78	S	S	*	*			trans	-82.6	144.1	166.8	-64.1	0	0	0	0	111
614	S	24.7	Very low	27.1	Very low	122 Å²	122	150 Å²	150	85%	0.853	78%	0.776	S	S	*	*			trans	-116.5	155.7	161.5	60.8	0	0	0	0	110.1
615	Q	24.6	Very low	26.8	Very low	171 Å²	171	147.6 Å²	147.6	80%	0.799	78%	0.775	S	S	*	*			trans	-96.6	138.7	-175.7	-61.1	167.3	-20.8	0	0	110.3
616	Y	23.6	Very low	26.6	Very low	194 Å²	194	144.3 Å²	144.3	76%	0.761	77%	0.77	S	S	*	*				-175.1	124.8	105.4	-117.7	-106.2	0	0	0	114.2
617	Q	23.1	Very low	26.3	Very low	140 Å²	140	145.9 Å²	145.9	65%	0.654	77%	0.765	S	S	*	*			trans	30.8	118.6	137	-166.7	179.1	32.2	0	0	121.6
618	M	23	Very low	26.3	Very low	163 Å²	163	145.8 Å²	145.8	80%	0.803	77%	0.774	S	S	*	*				-159.8	168.9	111.8	-114.8	-59	151.2	0	0	112.5
619	Q	22.3	Very low	26	Very low	139 Å²	139	141.4 Å²	141.4	65%	0.65	76%	0.761	S	S	*	*			trans	-147.3	140.4	-156.5	-153.1	-175.9	1.8	0	0	113.1
620	Y	24.9	Very low	25.9	Very low	204 Å²	204	140.4 Å²	140.4	80%	0.8	77%	0.769	S	S	*	*			trans	63.3	151.2	178.5	-66.9	-75.7	0	0	0	115.8
621	C	23.2	Very low	25.3	Very low	115 Å²	115	139.8 Å²	139.8	78%	0.777	77%	0.772	S	S	*	*			cis	-148.3	-177.1	14.3	-144.1	0	0	0	0	113.6
622	D	25.3	Very low	25.2	Very low	116 Å²	116	140.1 Å²	140.1	62%	0.62	77%	0.772	S	S	*	*			trans	-67.3	158.3	-175.6	-176.4	52	0	0	0	115.6	S624	D622-S624 VanDerWaalsContact CG-N 3.28Å; D622-S624 PolarHBondContact OD1-N 3.37Å; D622-S624 WeakPolarHBondContact OD2-CB 3.36Å; D622-S624 PolarHBondContact OD2-N 3.36Å; D622-S624 PolarHBondContact OD2-OG 3.17Å
623	P	28.1	Very low	25	Very low	122 Å²	122	133.2 Å²	133.2	79%	0.792	76%	0.757	S	S	*	*			trans	-134.4	108.3	130.5	36.5	-25.4	0	0	0	115	G625	P623-G625 PolarHBondContact O-N 3.03Å
624	S	26	Very low	25	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	75%	0.754	S	S	*	*			trans	-51	123.1	165.1	-67.6	0	0	0	0	113	D622	D622-S624 VanDerWaalsContact CG-N 3.28Å; D622-S624 PolarHBondContact OD1-N 3.37Å; D622-S624 WeakPolarHBondContact OD2-CB 3.36Å; D622-S624 PolarHBondContact OD2-N 3.36Å; D622-S624 PolarHBondContact OD2-OG 3.17Å
625	G	26.7	Very low	25.2	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	75%	0.752	S	S	*	*			trans	-135.9	128	177.3	0	0	0	0	0	112.1	P623	P623-G625 PolarHBondContact O-N 3.03Å
626	M	23.6	Very low	25.8	Very low	157 Å²	157	134.7 Å²	134.7	77%	0.773	75%	0.751	S	S	*	*			trans	-114.2	145.6	-161.2	-124.6	-162.6	176.7	0	0	115.3
627	R	23.7	Very low	26.8	Very low	189 Å²	189	130.7 Å²	130.7	71%	0.713	75%	0.749	S	S	*	*			trans	61.1	119.1	152.3	-59	179.2	-163.4	-152.3	3.1	120.4
628	V	25.7	Very low	26.9	Very low	144 Å²	144	128.2 Å²	128.2	87%	0.873	75%	0.752	S	S	*	*				-141	123.3	106.8	-176.2	0	0	0	0	105.8
629	S	22.9	Very low	27	Very low	86 Å²	86	130.8 Å²	130.8	60%	0.601	76%	0.759	S	S	*	*			cis	86.4	78.6	24	-57	0	0	0	0	116.6
630	A	26.6	Very low	27.5	Very low	95 Å²	95	127.8 Å²	127.8	79%	0.785	76%	0.758	S	S	*	*			trans	-153.7	127.4	155.1	0	0	0	0	0	108
631	A	25.6	Very low	27.6	Very low	90 Å²	90	128 Å²	128	74%	0.744	76%	0.759	S	S	*	*			cis	55.7	137.3	5.5	0	0	0	0	0	114.9
632	V	28.3	Very low	27.9	Very low	133 Å²	133	129.2 Å²	129.2	81%	0.806	75%	0.753	S	S	*	*			cis	-130.7	-175.1	13.4	-137.1	0	0	0	0	106.8
633	T	26.1	Very low	28.2	Very low	103 Å²	103	131 Å²	131	63%	0.632	76%	0.758	S	S	*	*			cis	-171.9	169.3	29.5	-7.4	0	0	0	0	105
634	H	28	Very low	28.3	Very low	174 Å²	174	134 Å²	134	81%	0.806	76%	0.762	S	S	*	*			cis	-158.2	144.5	39.1	-100.7	-67.4	0	0	0	112.3
635	L	28.4	Very low	28.5	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	75%	0.753	S	S	*	*			trans	-70.4	170.7	152	-80.7	161.4	0	0	0	109.7
636	P	37.2	Very low	28.8	Very low	118 Å²	118	139.7 Å²	139.7	77%	0.766	75%	0.75	S	S	*	*			cis	-155.6	-145.1	46.6	51.7	-27.4	0	0	0	114.4
637	P	44.2	Very low	29	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	75%	0.75	S	S	*	*				-140.1	-176.3	-128	36.9	-9.6	0	0	0	118.5
638	A	25.3	Very low	29.3	Very low	89 Å²	89	136.6 Å²	136.6	74%	0.736	75%	0.751	S	S	*	*			trans	43.2	123.9	141.2	0	0	0	0	0	124
639	F	26.1	Very low	29.5	Very low	217 Å²	217	134.8 Å²	134.8	95%	0.952	75%	0.745	S	S	*	*			trans	-160.5	154	136.7	-91.3	-84.7	0	0	0	106.9
640	A	31.1	Very low	30	Very low	75 Å²	75	136.1 Å²	136.1	62%	0.62	75%	0.754	S	S	*	*			cis	-174.1	178.9	-31	0	0	0	0	0	108.4
641	Y	26.9	Very low	30.5	Very low	208 Å²	208	135.9 Å²	135.9	82%	0.816	75%	0.752	S	S	*	*			trans	83.9	113.2	-170.8	-70.4	-94.4	0	0	0	114.2
642	Q	30.3	Very low	30.9	Very low	142 Å²	142	138.7 Å²	138.7	66%	0.664	76%	0.755	S	S	*	*				77.9	123.2	58.9	-70.2	-160	-72.6	0	0	113.1
643	E	30.8	Very low	31.2	Very low	152 Å²	152	136.3 Å²	136.3	71%	0.71	75%	0.749	S	S	*	*			cis	-138.2	-123.4	-4	-154.1	78.5	-73.4	0	0	112.4
644	E	30.8	Very low	31.5	Very low	187 Å²	187	135.4 Å²	135.4	87%	0.874	75%	0.752	S	S	*	*			cis	-146	-113.6	7.9	-158.1	178.1	-123.2	0	0	112.8
645	D	30.2	Very low	31.7	Very low	113 Å²	113	138.7 Å²	138.7	60%	0.604	76%	0.758	S	S	*	*			trans	-115.9	149.8	-154.8	-147.8	18.8	0	0	0	117.7
646	R	32.3	Very low	31.7	Very low	197 Å²	197	139 Å²	139	74%	0.743	76%	0.759	S	S	*	*			trans	23.4	148.8	147.3	-74.1	167.4	-165.2	170.1	-2.2	122.4
647	M	28.9	Very low	32.9	Very low	158 Å²	158	139 Å²	139	78%	0.778	76%	0.759	S	S	*	*			cis	-169.4	171.5	9	-131	167.1	-167.8	0	0	114.9
648	V	29.5	Very low	33.8	Very low	122 Å²	122	138.3 Å²	138.3	74%	0.739	76%	0.755	S	S	*	*			trans	87.2	119.3	149.9	165.2	0	0	0	0	122.1
649	S	29.5	Very low	34.1	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	76%	0.758	S	S	*	*			trans	51.2	152.2	150.3	-71.6	0	0	0	0	123
650	S	33.8	Very low	34.4	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	75%	0.748	S	S	*	*			cis	164.9	146.8	-12	-82.8	0	0	0	0	105.4
651	A	38	Very low	34.5	Very low	90 Å²	90	139.2 Å²	139.2	74%	0.744	75%	0.749	S	S	*	*			cis	-140.9	-136.3	-6.3	0	0	0	0	0	107.8
652	N	32.8	Very low	34.6	Very low	149 Å²	149	134 Å²	134	80%	0.797	74%	0.741	S	S	*	*			cis	-159.8	144.3	-2.2	-129.4	2	0	0	0	107.4
653	A	35	Very low	34.6	Very low	83 Å²	83	137.3 Å²	137.3	69%	0.686	75%	0.748	S	S	*	*				62	130	89	0	0	0	0	0	116.5
654	A	33.1	Very low	34.5	Very low	85 Å²	85	136.4 Å²	136.4	70%	0.702	75%	0.752	S	S	*	*			cis	-166.2	154.2	5.5	0	0	0	0	0	117.5
655	R	31.8	Very low	34.5	Very low	243 Å²	243	133.1 Å²	133.1	92%	0.917	75%	0.75	S	S	*	*			trans	81.8	157.4	137.4	-77.1	169.6	-172.8	-155.5	2	125.2
656	L	28.9	Very low	34.4	Very low	162 Å²	162	131 Å²	131	85%	0.848	76%	0.755	S	S	*	*			trans	-137.9	-152.3	-176.3	-54.6	168.7	0	0	0	107.8
657	P	62	Low	34.3	Very low	116 Å²	116	129 Å²	129	75%	0.753	76%	0.764	S	S	*	*			cis	-127.1	-124.8	-21.2	31.5	-5.1	0	0	0	109.9
658	P	62	Low	34.3	Very low	96 Å²	96	124.5 Å²	124.5	62%	0.623	76%	0.759	S	S	*	*			cis	-136.5	-166	-32.6	37.2	-15	0	0	0	116.2
659	I	31.6	Very low	34.3	Very low	159 Å²	159	126 Å²	126	82%	0.815	76%	0.761	S	S	*	*			trans	62	169.5	159.5	68.1	169.3	0	0	0	119.1
660	S	33.8	Very low	34.4	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	77%	0.769	S	S	*	*			cis	-170	175.6	-7	26.3	0	0	0	0	109
661	E	33.6	Very low	34	Very low	137 Å²	137	130.7 Å²	130.7	64%	0.64	77%	0.769	S	S	*	*			cis	-171.6	174.7	-45	-143.5	-68.9	98.4	0	0	108	R663	E661-R663 IonicContact OE1-NE 3.92Å
662	C	28.1	Very low	33.5	Very low	97 Å²	97	131.8 Å²	131.8	66%	0.655	78%	0.778	S	S	*	*			trans	76.7	127.6	172.3	-71.8	0	0	0	0	116.8
663	R	29.9	Very low	33.4	Very low	212 Å²	212	130 Å²	130	80%	0.8	78%	0.777	S	S	*	*			cis	82.3	140.2	38.8	-60.3	175.8	176.2	-147.4	-1.9	112.4	E661	E661-R663 IonicContact OE1-NE 3.92Å
664	V	29.9	Very low	33.1	Very low	133 Å²	133	132.3 Å²	132.3	81%	0.806	78%	0.782	S	S	*	*			cis	-156	163.7	46.7	168.2	0	0	0	0	113.4
665	S	29.2	Very low	33	Very low	119 Å²	119	139 Å²	139	83%	0.832	79%	0.789	S	S	*	*			trans	-19.9	169.8	165.7	-47	0	0	0	0	122.8
666	G	28.6	Very low	33.1	Very low	67 Å²	67	135.6 Å²	135.6	69%	0.691	78%	0.781	S	S	*	*			cis	147.7	167.4	-6.5	0	0	0	0	0	115.7
667	V	29.4	Very low	33.2	Very low	155 Å²	155	133.9 Å²	133.9	94%	0.939	77%	0.773	S	S	*	*			trans	69.8	145.1	168.2	-166.7	0	0	0	0	117.4
668	G	29.5	Very low	31.8	Very low	65 Å²	65	133.2 Å²	133.2	67%	0.67	78%	0.777	S	S	*	*			cis	162.9	176.2	-10.4	0	0	0	0	0	114.9
669	I	30.9	Very low	30.5	Very low	153 Å²	153	133.4 Å²	133.4	79%	0.785	79%	0.787	S	S	*	*			trans	95.7	107.5	162.4	-52.8	-178.8	0	0	0	122
670	R	30.1	Very low	30.6	Very low	242 Å²	242	134.8 Å²	134.8	91%	0.913	79%	0.79	S	S	*	*			trans	22.3	137.9	133.7	-42	174.1	-165.7	176.7	4.4	123.7
671	G	26	Very low	30.4	Very low	77 Å²	77	136 Å²	136	79%	0.794	79%	0.788	S	S	*	*				133.9	122.2	105.7	0	0	0	0	0	123.3
672	A	28	Very low	30.5	Very low	112 Å²	112	134.5 Å²	134.5	93%	0.926	79%	0.789	S	S	*	*			trans	79	177.4	147.4	0	0	0	0	0	122.1
673	S	29.6	Very low	31.4	Very low	111 Å²	111	134.9 Å²	134.9	78%	0.776	79%	0.79	S	S	*	*			trans	-148.4	-166.3	-151.4	63.6	0	0	0	0	114.8
674	V	28.8	Very low	31.7	Very low	133 Å²	133	132 Å²	132	81%	0.806	79%	0.785	S	S	*	*			trans	98.2	144.5	174.1	177.5	0	0	0	0	114.9
675	R	32.1	Very low	31.6	Very low	226 Å²	226	134.2 Å²	134.2	85%	0.853	78%	0.784	S	S	*	*			cis	178.8	-179.8	-35.1	-121	-178	-175.9	-157.9	2.5	109.8
676	K	33.5	Very low	31.7	Very low	170 Å²	170	140.3 Å²	140.3	74%	0.739	79%	0.789	S	S	*	*			trans	87	145	164.8	-65.4	-170.8	141	-71.1	0	117.9
677	D	30.2	Very low	31.7	Very low	126 Å²	126	148.4 Å²	148.4	67%	0.674	80%	0.798	S	S	*	*			cis	-153.4	171.3	-2.3	-100.6	-22	0	0	0	112.9
678	A	34.1	Very low	31.8	Very low	103 Å²	103	149.1 Å²	149.1	85%	0.851	79%	0.791	S	S	*	*			trans	78	172.4	176.8	0	0	0	0	0	117
679	A	33.5	Very low	31.9	Very low	99 Å²	99	153.4 Å²	153.4	82%	0.818	79%	0.793	S	S	*	*			cis	-152.5	-171.5	6.9	0	0	0	0	0	113.3
680	E	34	Very low	31.8	Very low	188 Å²	188	154.2 Å²	154.2	88%	0.879	79%	0.794	S	S	*	*			trans	-118.9	170.6	-178.6	-53.1	-177.7	120.2	0	0	112
681	D	29	Very low	31.9	Very low	130 Å²	130	150.6 Å²	150.6	70%	0.695	79%	0.787	S	S	*	*			cis	-153.9	120.7	8.5	-156.7	31.9	0	0	0	108.9
682	T	36.3	Very low	32.2	Very low	107 Å²	107	157.8 Å²	157.8	66%	0.656	79%	0.79	S	S	*	*				75.4	146.2	91.6	-54.2	0	0	0	0	115.7
683	P	46.6	Very low	32.4	Very low	105 Å²	105	161 Å²	161	68%	0.682	79%	0.786	S	S	*	*			cis	-126.2	143	-3.2	22.2	1	0	0	0	118.2
684	Q	35.9	Very low	32.5	Very low	151 Å²	151	166.1 Å²	166.1	71%	0.706	79%	0.788	S	S	*	*				49.7	144.5	124.9	-53.8	-170.3	25.6	0	0	122.4
685	K	29.5	Very low	32.6	Very low	180 Å²	180	171 Å²	171	78%	0.783	79%	0.792	S	S	*	*			cis	-159.7	160.1	2.8	-123.4	166.4	-171.3	155.5	0	112.1
686	R	30.6	Very low	32.4	Very low	247 Å²	247	164.7 Å²	164.7	93%	0.932	78%	0.783	S	S	*	*			trans	-102.4	165.6	176.4	-71	-178.7	173.7	179.3	-2.3	113.3
687	R	29.2	Very low	32.3	Very low	236 Å²	236	167.4 Å²	167.4	89%	0.891	79%	0.788	S	S	*	*			trans	-97.1	156.2	165.8	-68.3	179.8	172	-176.8	-2.6	111.5
688	H	31.5	Very low	32.4	Very low	171 Å²	171	172.8 Å²	172.8	79%	0.792	80%	0.799	S	S	*	*			trans	-172	157.8	142.1	-98.6	-58.3	0	0	0	114.4
689	H	30.3	Very low	32	Very low	154 Å²	154	171.9 Å²	171.9	71%	0.713	79%	0.787	S	S	*	*			trans	98.9	142.9	151.4	-61.8	-58.3	0	0	0	124
690	H	30.1	Very low	32	Very low	171 Å²	171	178 Å²	178	79%	0.792	79%	0.789	S	S	*	*			trans	106.8	150.7	146.4	-62.5	-46.9	0	0	0	122.3
691	H	31.8	Very low	32.1	Very low	165 Å²	165	173.9 Å²	173.9	76%	0.764	78%	0.781	S	S	*	*			trans	-97.5	144.9	-146.1	-72.9	-78.6	0	0	0	117
692	R	32.4	Very low	32.4	Very low	228 Å²	228	177.1 Å²	177.1	86%	0.86	79%	0.792	S	S	*	*				49	124.9	119.6	-151.3	-171.5	-153.8	-170.9	7.8	120.4
693	Q	32.1	Very low	32.1	Very low	179 Å²	179	180 Å²	180	84%	0.836	80%	0.803	S	S	*	*				-177.9	126.6	119.3	-101.7	-166.4	67.6	0	0	118.1
694	R	31.7	Very low	31.4	Very low	219 Å²	219	180 Å²	180	83%	0.826	81%	0.811	S	S	*	*			trans	43.5	149.9	135.7	-98	-176	172.1	-161	-3.7	126.1
695	R	31.1	Very low	31.3	Very low	235 Å²	235	180.4 Å²	180.4	89%	0.887	82%	0.818	S	S	*	*			trans	81.8	151.6	162.4	-70.8	178.9	174.4	177	-0.8	117
696	S	26.6	Very low	31.5	Very low	95 Å²	95	178.9 Å²	178.9	66%	0.664	82%	0.818	S	S	*	*			cis	-174.4	130.6	-17.3	163.3	0	0	0	0	114.7
697	R	32.4	Very low	31.6	Very low	227 Å²	227	174 Å²	174	86%	0.857	81%	0.81	S	S	*	*			trans	61.9	147.5	149.7	-77.6	-179	164	179.5	-4.2	122.5
698	R	31.2	Very low	31.7	Very low	238 Å²	238	169.4 Å²	169.4	90%	0.898	81%	0.808	S	S	*	*			trans	71.1	157.1	157.3	-76.2	-176.3	173.4	-178.1	-2.9	116.6
699	S	26	Very low	31.7	Very low	85 Å²	85	165.2 Å²	165.2	59%	0.594	80%	0.803	S	S	*	*			cis	-179.2	148.1	-18.4	170.8	0	0	0	0	110.5
700	R	33.7	Very low	31.7	Very low	226 Å²	226	164.2 Å²	164.2	85%	0.853	80%	0.802	S	S	*	*			trans	66.4	134.3	170.7	-70.1	168.1	-177	-175.4	-4	113.9
701	S	36.3	Very low	31.7	Very low	102 Å²	102	165.1 Å²	165.1	71%	0.713	80%	0.799	S	S	*	*			cis	87.3	111.5	33.5	81.1	0	0	0	0	114.2
702	E	34.6	Very low	31.6	Very low	198 Å²	198	168.4 Å²	168.4	93%	0.925	81%	0.805	S	S	*	*			trans	-156	139.6	161.9	-128.4	152.2	-134.7	0	0	110.9
703	N	31.1	Very low	31.3	Very low	169 Å²	169	162.8 Å²	162.8	90%	0.904	81%	0.807	S	S	*	*			trans	-100.4	137.9	174.1	-80.3	-28	0	0	0	109.1
704	A	32	Very low	31.2	Very low	103 Å²	103	165.2 Å²	165.2	85%	0.851	81%	0.808	S	S	*	*			trans	-157.1	132.8	151.6	0	0	0	0	0	111.2
705	L	32.5	Very low	31.6	Very low	161 Å²	161	160.7 Å²	160.7	84%	0.843	81%	0.807	S	S	*	*			trans	-92.9	164.6	163.4	-76.4	163	0	0	0	109.7
706	N	34.9	Very low	31.6	Very low	147 Å²	147	157.6 Å²	157.6	79%	0.786	80%	0.803	S	S	*	*			trans	113.3	147.3	164.8	-63.5	-18.7	0	0	0	115.4
707	L	32.8	Very low	31.6	Very low	146 Å²	146	160.6 Å²	160.6	76%	0.764	81%	0.811	S	S	*	*			cis	-178.4	161.2	-33.7	-118.2	176.2	0	0	0	107.2
708	V	31.1	Very low	31.3	Very low	138 Å²	138	160.7 Å²	160.7	84%	0.836	81%	0.812	S	S	*	*			trans	72.8	156.1	164.6	176.3	0	0	0	0	117.2
709	A	31.6	Very low	31.8	Very low	83 Å²	83	153.6 Å²	153.6	69%	0.686	80%	0.797	S	S	*	*			trans	-88.7	-176.2	-172.3	0	0	0	0	0	112.5
710	D	30.3	Very low	31.9	Very low	133 Å²	133	157 Å²	157	71%	0.711	80%	0.803	S	S	*	*				-166.7	167.2	54.7	-151.5	-6.4	0	0	0	115.6
711	R	29.1	Very low	31.6	Very low	191 Å²	191	153.1 Å²	153.1	72%	0.721	80%	0.798	S	S	*	*			trans	23.6	112.4	159	-78.6	151.4	-173.8	-99.7	-2.3	123.1
712	R	30.4	Very low	31	Very low	234 Å²	234	153.4 Å²	153.4	88%	0.883	80%	0.8	S	S	*	*				54.8	123.3	120.3	-64.1	-175.9	178.5	-168.5	-0.1	121.4
713	A	25.8	Very low	30.7	Very low	109 Å²	109	149.4 Å²	149.4	90%	0.901	79%	0.79	S	S	*	*			trans	-143.7	165.3	136.5	0	0	0	0	0	110.5
714	R	31	Very low	30.4	Very low	231 Å²	231	151.2 Å²	151.2	87%	0.872	78%	0.784	S	S	*	*			trans	-129	152.6	180	-132.9	-171.2	-170.6	-169.8	3.8	109.7
715	P	39.8	Very low	30.4	Very low	123 Å²	123	154 Å²	154	80%	0.799	78%	0.779	S	S	*	*				-137.5	-161.8	115.7	30.2	-12.3	0	0	0	113.5
716	Q	31.1	Very low	30.2	Very low	171 Å²	171	152.2 Å²	152.2	80%	0.799	77%	0.771	S	S	*	*			trans	-95.1	152.4	-161.2	-69.2	160	-118.8	0	0	114.8
717	D	25.7	Very low	29.9	Very low	158 Å²	158	155.2 Å²	155.2	85%	0.845	77%	0.772	S	S	*	*				-162.5	177.3	100.9	-106.8	-29.7	0	0	0	114
718	R	26.3	Very low	29.9	Very low	228 Å²	228	153.3 Å²	153.3	86%	0.86	76%	0.763	S	S	*	*			trans	-152.6	172.6	-168.2	-134.1	-161.5	158.6	-163.8	-3.5	108.8
719	P	42.4	Very low	29.9	Very low	90 Å²	90	157.7 Å²	157.7	58%	0.584	76%	0.764	S	S	*	*			cis	-133.8	-151	-7.3	43.4	-24.1	0	0	0	114
720	Q	27.1	Very low	29.8	Very low	155 Å²	155	162.2 Å²	162.2	72%	0.724	77%	0.769	S	S	*	*			trans	89	145.6	176.4	-49.4	-64.6	8.2	0	0	116.9
721	L	27.3	Very low	30.1	Very low	145 Å²	145	161 Å²	161	76%	0.759	77%	0.769	S	S	*	*				-168.8	122.8	-50.3	-119	-165.1	0	0	0	109.6
722	S	24.8	Very low	30.7	Very low	108 Å²	108	157.5 Å²	157.5	76%	0.755	77%	0.77	S	S	*	*			trans	-165	110.5	154.9	50.5	0	0	0	0	107.3
723	V	27	Very low	31.1	Very low	115 Å²	115	152.4 Å²	152.4	70%	0.697	77%	0.767	S	S	*	*				60.8	106.8	80.1	-177.5	0	0	0	0	112.2	E725	V723-E725 HydrophobicContact CG1-CG 4.18Å
724	R	26.3	Very low	31.3	Very low	206 Å²	206	159 Å²	159	78%	0.777	77%	0.769	S	S	*	*			trans	-137.7	132.6	156.9	166.4	-177.9	161.7	146.5	6.1	105	D726	R724-D726 IonicContact CZ-OD1 2.71Å; R724-D726 IonicContact CZ-OD2 3.67Å; R724-D726 IonicContact NE-OD1 3.76Å; R724-D726 IonicContact NE-OD2 2.69Å; R724-D726 PolarHBondContact NE-OD2 3.32Å; R724-D726 IonicContact NH2-OD1 3Å; R724-D726 PolarHBondContact NH2-OD1 3.03Å; R724-D726 IonicContact NH2-OD2 2.71Å; R724-D726 PolarHBondContact NH2-OD2 2.99Å
725	E	30.3	Very low	31.3	Very low	162 Å²	162	153.7 Å²	153.7	76%	0.757	77%	0.767	S	S	*	*			trans	-117.8	127.4	-176.5	-66.3	172.5	137.8	0	0	109.1	V723	V723-E725 HydrophobicContact CG1-CG 4.18Å
726	D	28.3	Very low	31	Very low	124 Å²	124	152.8 Å²	152.8	66%	0.663	77%	0.77	S	S	*	*			trans	-113.1	115.4	168.8	-65	-71.6	0	0	0	107.1	R724	R724-D726 IonicContact CZ-OD1 2.71Å; R724-D726 IonicContact CZ-OD2 3.67Å; R724-D726 IonicContact NE-OD1 3.76Å; R724-D726 IonicContact NE-OD2 2.69Å; R724-D726 PolarHBondContact NE-OD2 3.32Å; R724-D726 IonicContact NH2-OD1 3Å; R724-D726 PolarHBondContact NH2-OD1 3.03Å; R724-D726 IonicContact NH2-OD2 2.71Å; R724-D726 PolarHBondContact NH2-OD2 2.99Å
727	Y	29.2	Very low	31	Very low	209 Å²	209	149 Å²	149	82%	0.82	77%	0.768	S	S	*	*			trans	-78.6	155.3	164.7	-88.2	-76.5	0	0	0	109
728	D	33.6	Very low	31.2	Very low	106 Å²	106	148.3 Å²	148.3	57%	0.567	76%	0.764	S	S	*	*			cis	-150.9	163.7	1	-152.1	-26.5	0	0	0	110.8
729	R	30	Very low	31.5	Very low	230 Å²	230	143.8 Å²	143.8	87%	0.868	75%	0.753	S	S	*	*			trans	-153.6	92.5	163.3	-160.5	179.6	-162.1	179.3	7.9	112.1	P731	R729-P731 WeakPolarHBondContact O-CD 3.42Å
730	F	31	Very low	31	Very low	178 Å²	178	148.8 Å²	148.8	78%	0.781	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-53.6	130.9	-178.7	-78.3	-86.4	0	0	0	115.8
731	P	35	Very low	31.1	Very low	109 Å²	109	144.7 Å²	144.7	71%	0.708	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-91.6	163.4	150.3	-4.5	25.5	0	0	0	111.7	R729	R729-P731 WeakPolarHBondContact O-CD 3.42Å
732	P	42.2	Very low	31.4	Very low	116 Å²	116	143.2 Å²	143.2	75%	0.753	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-81.9	159.1	-172	33	-36.8	0	0	0	114.6
733	P	38.7	Very low	31.6	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.7	149.5	-179.8	30.2	-36.2	0	0	0	113.3
734	R	30.9	Very low	31.8	Very low	249 Å²	249	139.9 Å²	139.9	94%	0.94	78%	0.78	S	S	*	*			trans	-107.4	115.9	166.1	-83.1	-172.4	166.8	-141.9	-1.7	110.7
735	S	31.2	Very low	32.1	Very low	119 Å²	119	142.7 Å²	142.7	83%	0.832	79%	0.79	S	S	*	*			trans	-67.1	141.2	169	-38.4	0	0	0	0	111.2
736	A	32.8	Very low	32	Very low	103 Å²	103	138.7 Å²	138.7	85%	0.851	79%	0.792	S	S	*	*			trans	-72.6	151.5	163.3	0	0	0	0	0	110.4
737	A	31.5	Very low	32.3	Very low	91 Å²	91	144 Å²	144	75%	0.752	80%	0.803	S	S	*	*			trans	-107.8	129.8	-173.3	0	0	0	0	0	112.7
738	N	29.6	Very low	32.2	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	81%	0.808	S	S	*	*			trans	176.4	144.2	160.9	-92.1	-25.6	0	0	0	107.5
739	Q	31.8	Very low	32.2	Very low	134 Å²	134	148.2 Å²	148.2	63%	0.626	82%	0.818	S	S	*	*			cis	-163.2	151.6	-10.9	-140.4	171.2	73.8	0	0	108.4
740	F	32.2	Very low	33.2	Very low	195 Å²	195	142.1 Å²	142.1	86%	0.855	81%	0.808	S	S	*	*			trans	64.4	148	179.9	-50.5	-82.9	0	0	0	117.3
741	G	30.1	Very low	33.6	Very low	68 Å²	68	141.4 Å²	141.4	70%	0.701	81%	0.808	S	S	*	*			cis	173	129.1	-12.9	0	0	0	0	0	114.2
742	A	33.7	Very low	33.7	Very low	115 Å²	115	142.3 Å²	142.3	95%	0.95	81%	0.806	S	S	*	*			trans	60.2	149.7	176.2	0	0	0	0	0	117.6
743	G	29	Very low	33	Very low	85 Å²	85	145.8 Å²	145.8	88%	0.876	81%	0.809	S	S	*	*			cis	147.8	141.4	-5.6	0	0	0	0	0	110.5
744	G	29.9	Very low	32.8	Very low	68 Å²	68	150.1 Å²	150.1	70%	0.701	81%	0.809	S	S	*	*			cis	172.8	-175.2	-3.1	0	0	0	0	0	111.2
745	R	32.9	Very low	32.8	Very low	265 Å²	265	147.3 Å²	147.3	100%	1	81%	0.807	S	S	*	*			trans	70.8	155.6	-177.1	-46.9	175.2	-174.1	-102.2	0.2	113.9
746	G	29	Very low	32.8	Very low	77 Å²	77	147.5 Å²	147.5	79%	0.794	81%	0.807	S	S	*	*			cis	-164.2	170.3	-3	0	0	0	0	0	111.6
747	R	34	Very low	33.8	Very low	237 Å²	237	148.5 Å²	148.5	89%	0.894	80%	0.804	S	S	*	*			trans	-76.5	158.8	-174.4	-58.6	175.3	179.5	-109.7	3.3	113.5
748	Y	27.6	Very low	34	Very low	234 Å²	234	155 Å²	155	92%	0.918	81%	0.809	S	S	*	*				-176.3	163.2	120	-106.5	-76.5	0	0	0	114
749	Q	33.1	Very low	34.5	Very low	168 Å²	168	153 Å²	153	79%	0.785	80%	0.802	S	S	*	*			trans	-147.9	171.8	175.2	-132.3	-166.2	-12.6	0	0	106
750	P	51.9	Low	34.5	Very low	102 Å²	102	152.9 Å²	152.9	66%	0.662	81%	0.811	S	S	*	*			cis	-142.7	176.9	3.4	42.4	-21.8	0	0	0	118.4
751	Q	39	Very low	34.5	Very low	164 Å²	164	147.9 Å²	147.9	77%	0.766	80%	0.8	S	S	*	*			trans	27.1	142.2	151.2	-60.6	-176.4	-0.2	0	0	125.4
752	L	36.4	Very low	34.7	Very low	127 Å²	127	151.1 Å²	151.1	67%	0.665	80%	0.802	S	S	*	*				155.6	136.4	105.1	-84.4	-177.6	0	0	0	115.6
753	F	28.8	Very low	34.6	Very low	190 Å²	190	152.6 Å²	152.6	83%	0.833	79%	0.793	S	S	*	*				162.4	179.2	121.7	-98.9	-74.2	0	0	0	117.4
754	R	34.4	Very low	34.7	Very low	217 Å²	217	153.5 Å²	153.5	82%	0.819	78%	0.784	S	S	*	*			trans	-112.2	169.7	-155.1	-78.4	177	150.6	-156.8	-0.8	116.9
755	Q	29	Very low	34.8	Very low	191 Å²	191	157.6 Å²	157.6	89%	0.893	79%	0.79	S	S	*	*				179.6	170	113.7	-95.1	176.6	65.7	0	0	116.6
756	C	31.4	Very low	34.7	Very low	123 Å²	123	154 Å²	154	83%	0.831	78%	0.784	S	S	*	*			trans	-153.2	157.9	-170.2	-49.2	0	0	0	0	117.3
757	P	54.8	Low	34.6	Very low	123 Å²	123	157.3 Å²	157.3	80%	0.799	78%	0.784	S	S	*	*			trans	-128.3	-179.8	142.6	11.1	13.5	0	0	0	113
758	R	36.4	Very low	35.7	Very low	227 Å²	227	151.2 Å²	151.2	86%	0.857	78%	0.775	S	S	*	*			cis	97.5	137.1	2.7	-77.9	-152	166.3	-137.3	-2.9	119.9
759	T	39.5	Very low	35.8	Very low	102 Å²	102	144.7 Å²	144.7	63%	0.626	77%	0.769	S	S	*	*			cis	-171	176	-12.9	10	0	0	0	0	114.5
760	T	31.1	Very low	35.8	Very low	133 Å²	133	141 Å²	141	82%	0.816	77%	0.767	S	S	*	*			trans	87.7	171.4	152.8	35.3	0	0	0	0	124.2
761	S	32.9	Very low	34.9	Very low	89 Å²	89	142.1 Å²	142.1	62%	0.622	77%	0.768	S	S	*	*				-155.3	175.8	-123.1	54.4	0	0	0	0	118.8
762	D	33.5	Very low	34.6	Very low	137 Å²	137	143.5 Å²	143.5	73%	0.733	77%	0.766	S	S	*	*			trans	92.1	130.6	149.1	-61.4	-54.8	0	0	0	127
763	L	31.3	Very low	34.3	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	77%	0.769	S	S	*	*			trans	68.9	126	141.6	-91.9	77.9	0	0	0	129.1
764	C	31.2	Very low	34.3	Very low	103 Å²	103	144.2 Å²	144.2	70%	0.696	77%	0.77	S	S	*	*			trans	76.5	118.6	130.6	-74.8	0	0	0	0	128.5
765	L	32.1	Very low	34.1	Very low	155 Å²	155	137.1 Å²	137.1	81%	0.812	76%	0.764	S	S	*	*				38.2	128	128.5	-64	170.7	0	0	0	124.8
766	Q	30.6	Very low	34.1	Very low	190 Å²	190	136.4 Å²	136.4	89%	0.888	77%	0.765	S	S	*	*				-171.3	-171.3	122.2	-140.3	76.9	69.4	0	0	113.3
767	N	26.7	Very low	33.9	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	76%	0.762	S	S	*	*			trans	-158.5	-175.9	-168.6	-148.5	5.4	0	0	0	108.4
768	P	57.7	Low	32.5	Very low	109 Å²	109	136.9 Å²	136.9	71%	0.708	76%	0.757	S	S	*	*			cis	-127.9	-153	-41	39.8	-20.7	0	0	0	113.2
769	A	29.7	Very low	32	Very low	96 Å²	96	135.8 Å²	135.8	79%	0.793	75%	0.754	S	S	*	*			trans	92.3	156.9	155.1	0	0	0	0	0	120.9
770	A	32.8	Very low	31.4	Very low	90 Å²	90	137 Å²	137	74%	0.744	77%	0.766	S	S	*	*			cis	-174.4	161.5	-28.8	0	0	0	0	0	115.1
771	N	32.7	Very low	31.3	Very low	126 Å²	126	141.8 Å²	141.8	67%	0.674	77%	0.77	S	S	*	*			trans	70.9	128.9	143.7	-103.9	-28.4	0	0	0	124.8
772	R	32.9	Very low	31	Very low	194 Å²	194	144.9 Å²	144.9	73%	0.732	78%	0.779	S	S	*	*			trans	70.1	153.4	132.7	-79.2	170.4	-159.3	-143.2	1.9	121.1
773	R	30.3	Very low	30.7	Very low	196 Å²	196	146.2 Å²	146.2	74%	0.74	78%	0.781	S	S	*	*			cis	-171.9	147.9	-19.2	-135.6	-173.5	-162.4	-162.7	3.4	110.7
774	T	30.3	Very low	30.6	Very low	136 Å²	136	147.5 Å²	147.5	83%	0.834	78%	0.777	S	S	*	*			trans	53.5	138.2	154.5	43.8	0	0	0	0	120.9
775	G	28.2	Very low	30.6	Very low	68 Å²	68	151.5 Å²	151.5	70%	0.701	78%	0.779	S	S	*	*			cis	153.9	159.3	-7.8	0	0	0	0	0	114
776	L	30.7	Very low	30.5	Very low	176 Å²	176	150.2 Å²	150.2	92%	0.921	77%	0.773	S	S	*	*			trans	65.6	137.4	169.2	-68	162.5	0	0	0	117.3
777	S	26.6	Very low	30.5	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	76%	0.76	S	S	*	*			cis	-159.9	176.9	1.5	-163.9	0	0	0	0	112.3
778	Q	25.2	Very low	30.7	Very low	147 Å²	147	146.2 Å²	146.2	69%	0.687	76%	0.758	S	S	*	*	S	Bend	trans	84.1	120.1	164.6	-110.6	179	-19.7	0	0	120.3
779	Y	26.1	Very low	29.3	Very low	204 Å²	204	151.6 Å²	151.6	80%	0.8	76%	0.764	S	S	*	*			trans	56.1	119.4	168.1	-51.5	-64.2	0	0	0	117.7
780	S	27.1	Very low	29.3	Very low	127 Å²	127	151.8 Å²	151.8	89%	0.888	76%	0.758	S	S	*	*			trans	-133.1	162.1	-176.3	-163.6	0	0	0	0	111.8
781	W	28	Very low	29.3	Very low	234 Å²	234	152.5 Å²	152.5	89%	0.886	76%	0.758	S	S	*	*			trans	-118.1	169.6	-159.3	-75.7	69.7	0	0	0	112.9
782	D	27.8	Very low	29	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	77%	0.765	S	S	*	*			trans	-70.6	130.1	147.8	-63.2	-67.8	0	0	0	109.3
783	E	27.2	Very low	28.7	Very low	164 Å²	164	148.8 Å²	148.8	77%	0.766	77%	0.765	S	S	*	*			trans	-179.6	141	148.4	-106.5	-169.5	154.6	0	0	114
784	Y	28.7	Very low	28.8	Very low	173 Å²	173	145 Å²	145	68%	0.678	77%	0.768	S	S	*	*			trans	65.9	137.2	160.7	-74.3	-111.3	0	0	0	119.1
785	Y	32.2	Very low	28.7	Very low	187 Å²	187	144.2 Å²	144.2	73%	0.733	77%	0.768	S	S	*	*				65.2	150.5	56.2	-74.2	-83	0	0	0	111.9	D787	Y785-D787 WeakPolarHBondContact CD1-OD2 3.22Å
786	D	29.6	Very low	29	Very low	128 Å²	128	146 Å²	146	68%	0.684	77%	0.77	S	S	*	*			cis	-122.4	164.6	19.5	-78.1	-114.9	0	0	0	110.4
787	D	29.4	Very low	29.1	Very low	118 Å²	118	142.3 Å²	142.3	63%	0.631	76%	0.759	S	S	*	*				56.4	146.5	61.7	-60.7	-60.1	0	0	0	113.1	Y785	Y785-D787 WeakPolarHBondContact CD1-OD2 3.22Å
788	D	32.3	Very low	29.5	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	76%	0.758	S	S	*	*			cis	-156	179.1	21	-159	-18.1	0	0	0	111
789	W	28.4	Very low	30	Very low	222 Å²	222	143 Å²	143	84%	0.841	76%	0.762	S	S	*	*			trans	139.9	87.5	132.2	-146.6	-81.8	0	0	0	117.6
790	C	28.9	Very low	30.3	Very low	99 Å²	99	142.7 Å²	142.7	67%	0.669	77%	0.768	S	S	*	*			trans	47.8	132.2	131.1	-149	0	0	0	0	122.8
791	S	32	Very low	31.3	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	77%	0.766	S	S	*	*			trans	-66.1	153.6	165.3	-36.1	0	0	0	0	114
792	T	26.1	Very low	32.2	Very low	135 Å²	135	140.9 Å²	140.9	83%	0.828	76%	0.761	S	S	*	*			trans	-174.8	160.2	136.7	14.4	0	0	0	0	114.1
793	C	27.8	Very low	32.9	Very low	108 Å²	108	136.8 Å²	136.8	73%	0.73	76%	0.755	S	S	*	*			trans	34.5	120.7	164.3	59.2	0	0	0	0	120
794	S	31.1	Very low	33.7	Very low	115 Å²	115	133.4 Å²	133.4	80%	0.804	74%	0.736	S	S	*	*			cis	80.8	94.7	24	-40.5	0	0	0	0	117.1
795	S	30.1	Very low	34.1	Very low	120 Å²	120	131.2 Å²	131.2	84%	0.839	73%	0.73	S	S	*	*			trans	176.6	148	151.4	-77.5	0	0	0	0	109.2
796	S	33.6	Very low	34.5	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	72%	0.724	S	S	*	*			cis	-168.9	161.5	-15	-85.4	0	0	0	0	110.3
797	S	33.8	Very low	35.3	Very low	99 Å²	99	121.8 Å²	121.8	69%	0.692	69%	0.692	S	S	*	*			trans	77.5	134.1	147.7	-95.1	0	0	0	0	123.8
798	E	34.3	Very low	35.9	Very low	159 Å²	159	121.7 Å²	121.7	74%	0.743	69%	0.688	S	S	*	*			trans	35.2	105.4	149.5	64.8	-136.6	70.8	0	0	121.4
799	S	35.3	Very low	36.2	Very low	112 Å²	112	119.1 Å²	119.1	78%	0.783	68%	0.678	S	S	*	*				69	124.2	96.1	76.1	0	0	0	0	115.2
800	E	33.4	Very low	36.7	Very low	197 Å²	197	114.9 Å²	114.9	92%	0.921	67%	0.671	S	S	*	*				-143.7	-165.7	62.8	58.8	-161.4	127.5	0	0	115.3
801	D	47.4	Very low	37.2	Very low	158 Å²	158	115.2 Å²	115.2	85%	0.845	67%	0.672	S	S	*	*			trans	-105.8	102.5	-148.2	-158	-45.9	0	0	0	115.2
802	E	46.8	Very low	37.7	Very low	166 Å²	166	121 Å²	121	78%	0.776	68%	0.678	S	S	*	*			trans	-137.7	132.3	165.7	-70.3	-162.8	133.7	0	0	111.4
803	G	42.7	Very low	38.3	Very low	68 Å²	68	120.7 Å²	120.7	70%	0.701	68%	0.678	S	S	*	*			trans	-88.3	124.4	-165.7	0	0	0	0	0	116.6
804	Y	42.9	Very low	38.5	Very low	93 Å²	93	123 Å²	123	37%	0.365	68%	0.681	S	S	.	*			trans	-117.2	154.5	170.4	-69.8	-99.8	0	0	0	110.9	G807 P809	Y804-G807 VanDerWaalsContact CD1-O 3.25Å; Y804-G807 WeakPolarHBondContact CD1-O 3.46Å; Y804-P809 HydrophobicContact CE1-CB 4.09Å
805	F	37.7	Very low	38.7	Very low	127 Å²	127	126 Å²	126	56%	0.557	68%	0.683	S	S	*	*	S	Bend	trans	-133.7	106.8	169.8	-168.2	-86.9	0	0	0	110	G807	F805-G807 PolarHBondContact O-N 2.92Å
806	L	41.4	Very low	38.6	Very low	114 Å²	114	128.3 Å²	128.3	60%	0.597	69%	0.685	S	S	*	*	S	Bend	trans	59	17.7	-167.7	-52.4	-174.9	0	0	0	115	T526	T526-L806 HydrophobicContact CG2-CD2 4.12Å; T526-L806 WeakPolarHBondContact OG1-CA 3.34Å; T526-L806 PolarHBondContact OG1-N 3Å
807	G	45.4	Very low	38.6	Very low	2 Å²	2	134.1 Å²	134.1	2%	0.021	69%	0.691	C	S	.	*	S	Bend	trans	102.2	-19.3	150.7	0	0	0	0	0	118.9	T526 L528 Y804 F805	T526-G807 PolarHBondContact OG1-N 2.82Å; L528-G807 WeakPolarHBondContact CD2-O 3.38Å; Y804-G807 VanDerWaalsContact CD1-O 3.25Å; Y804-G807 WeakPolarHBondContact CD1-O 3.46Å; F805-G807 PolarHBondContact O-N 2.92Å
808	E	41.5	Very low	38.4	Very low	116 Å²	116	140.7 Å²	140.7	54%	0.542	70%	0.702	S	S	.	*	S	Bend	trans	-76.4	143.4	167.7	-78.9	-96.1	105.7	0	0	110.2	L528 I810	L528-E808 HydrophobicContact CD1-CG 4.02Å; L528-E808 HydrophobicContact CD2-CG 3.99Å; E808-I810 PolarHBondContact O-N 3.22Å
809	P	38.7	Very low	38.4	Very low	81 Å²	81	139.6 Å²	139.6	53%	0.526	70%	0.7	S	S	.	*			trans	-67.9	127.5	169.2	29.2	-33	0	0	0	109.6	Y804 P811	Y804-P809 HydrophobicContact CE1-CB 4.09Å; P809-P811 WeakPolarHBondContact O-CD 3.47Å; P809-P811 VanDerWaalsContact O-N 3.1Å
810	I	39.6	Very low	38.6	Very low	133 Å²	133	139.9 Å²	139.9	68%	0.682	69%	0.693	S	S	*	*			trans	-54.1	116	-172.2	-58.1	175.6	0	0	0	111.1	E808 R812	E808-I810 PolarHBondContact O-N 3.22Å; I810-R812 PolarHBondContact O-N 3.21Å
811	P	38.8	Very low	38.8	Very low	106 Å²	106	137.1 Å²	137.1	69%	0.688	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-64.3	121.3	-178.8	-24.9	35.6	0	0	0	111.9	P809	P809-P811 WeakPolarHBondContact O-CD 3.47Å; P809-P811 VanDerWaalsContact O-N 3.1Å
812	R	42.3	Very low	38.6	Very low	227 Å²	227	136.7 Å²	136.7	86%	0.857	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-66.7	140.8	173.7	-64.2	-176.8	-178.1	-175.7	1.1	109.9	I810 I814	I810-R812 PolarHBondContact O-N 3.21Å; R812-I814 PolarHBondContact O-N 3.49Å
813	P	38.9	Very low	38.3	Very low	128 Å²	128	135.9 Å²	135.9	83%	0.831	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-62.3	121.7	-179.2	24.8	-33.9	0	0	0	111.3	Q815	P813-Q815 PolarHBondContact O-N 3.1Å
814	I	33.3	Very low	38.1	Very low	157 Å²	157	140 Å²	140	81%	0.805	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-72.5	127.7	178.6	-65.4	176.4	0	0	0	109.4	R812 L816	R812-I814 PolarHBondContact O-N 3.49Å; I814-L816 PolarHBondContact O-N 2.86Å
815	Q	34.8	Very low	38.1	Very low	179 Å²	179	141 Å²	141	84%	0.836	69%	0.692	S	S	*	*			trans	-66.2	114.6	174.3	-66.8	177.8	-50.6	0	0	110.7	P813 R817	P813-Q815 PolarHBondContact O-N 3.1Å; Q815-R817 PolarHBondContact O-N 2.87Å; Q815-R817 VanDerWaalsContact O-N 3.1Å
816	L	28.2	Very low	38.1	Very low	167 Å²	167	142.9 Å²	142.9	87%	0.874	70%	0.702	S	S	*	*			trans	-67.4	107	166.3	-77.1	172.2	0	0	0	109.8	I814	I814-L816 PolarHBondContact O-N 2.86Å
817	R	32.5	Very low	37.9	Very low	228 Å²	228	146.6 Å²	146.6	86%	0.86	71%	0.713	S	S	*	*			trans	-71.6	133.2	163	-69.6	-175.1	176.3	-169.8	-0.3	109	Q815	Q815-R817 PolarHBondContact O-N 2.87Å; Q815-R817 VanDerWaalsContact O-N 3.1Å
818	Y	31.1	Very low	37.5	Very low	236 Å²	236	157.2 Å²	157.2	93%	0.925	75%	0.754	S	S	*	*			trans	-65.4	133.3	167.6	-78.9	-101.8	0	0	0	110.1
819	I	34	Very low	37.1	Very low	137 Å²	137	158.1 Å²	158.1	70%	0.703	76%	0.763	S	S	*	*			trans	-111.6	141.2	165.7	-67.2	179	0	0	0	107.6
820	N	39.4	Very low	36.6	Very low	118 Å²	118	161.7 Å²	161.7	63%	0.631	78%	0.777	S	S	*	*			trans	-84	153.8	-166.6	-169	16.4	0	0	0	112.7	Q822	N820-Q822 PolarHBondContact O-N 2.82Å
821	N	37.1	Very low	36.2	Very low	138 Å²	138	160.6 Å²	160.6	74%	0.738	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	18	-175.4	-80.2	-37.4	0	0	0	115.7
822	Q	42.8	Very low	35.9	Very low	150 Å²	150	158.5 Å²	158.5	70%	0.701	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-15.3	-169.8	-151.7	157.5	11.2	0	0	114.4	N820	N820-Q822 PolarHBondContact O-N 2.82Å
823	E	41.5	Very low	35.4	Very low	148 Å²	148	156.6 Å²	156.6	69%	0.692	79%	0.791	S	S	*	*	S	Bend	trans	-87	-22.6	175.3	-67.1	-169.8	118.8	0	0	113.6	V825 H826	E823-V825 PolarHBondContact O-N 3.4Å; E823-H826 PolarHBondContact O-N 3.26Å
824	M	38	Very low	34.9	Very low	155 Å²	155	154 Å²	154	76%	0.764	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-71.2	-18.7	-173.3	-146.9	178.5	-62.9	0	0	113.7
825	V	42.3	Very low	34.6	Very low	115 Å²	115	150.2 Å²	150.2	70%	0.697	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-76.4	-20.7	-178.8	-178.2	0	0	0	0	112.6	E823	E823-V825 PolarHBondContact O-N 3.4Å
826	H	37.9	Very low	35	Very low	166 Å²	166	147 Å²	147	77%	0.769	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-92.7	4.7	-169.8	-85.7	-76.2	0	0	0	116.2	E823	E823-H826 PolarHBondContact O-N 3.26Å
827	K	37.4	Very low	35.1	Very low	191 Å²	191	146.1 Å²	146.1	83%	0.83	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-110.3	-4.8	-177.5	-90.4	-176.1	175.1	176.8	0	117
828	Y	37.4	Very low	35.1	Very low	226 Å²	226	147.3 Å²	147.3	89%	0.886	78%	0.782	S	S	*	*	S	Bend	trans	-117.4	41.1	179.9	-87.5	-79.1	0	0	0	113.3
829	N	33	Very low	35	Very low	135 Å²	135	141.8 Å²	141.8	72%	0.722	78%	0.778	S	S	*	*	S	Bend	trans	-145.1	135.5	173	-139.1	-18.1	0	0	0	111.8
830	N	28.2	Very low	34.8	Very low	156 Å²	156	139.1 Å²	139.1	83%	0.834	78%	0.784	S	S	*	*			trans	56.2	104.8	178.4	-69.6	-21.7	0	0	0	119.4
831	A	31.4	Very low	34.5	Very low	110 Å²	110	142.1 Å²	142.1	91%	0.909	79%	0.794	S	S	*	*				-154.5	137.2	122.1	0	0	0	0	0	110.5
832	G	31.9	Very low	34.1	Very low	62 Å²	62	141.1 Å²	141.1	64%	0.639	79%	0.788	S	S	*	*			trans	-139	-163.3	171	0	0	0	0	0	110.1
833	I	33.2	Very low	33.5	Very low	187 Å²	187	141.4 Å²	141.4	96%	0.959	79%	0.789	S	S	*	*			trans	77.8	132.1	-171.9	-47.8	157.9	0	0	0	111.3
834	G	27.7	Very low	32.8	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	79%	0.785	S	S	*	*			cis	-169	175.5	-2.6	0	0	0	0	0	111.9
835	G	26	Very low	32.6	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	79%	0.791	S	S	*	*			trans	-91.2	-156.5	177.9	0	0	0	0	0	114.1
836	P	43.7	Very low	32.1	Very low	112 Å²	112	145.7 Å²	145.7	73%	0.727	79%	0.794	S	S	*	*			cis	-143.8	-169.5	8.3	44.1	-25.1	0	0	0	116.8
837	N	29.6	Very low	32	Very low	148 Å²	148	149.8 Å²	149.8	79%	0.791	80%	0.803	S	S	*	*			trans	73.6	114.3	153.3	-69.7	-15.1	0	0	0	122.3
838	R	32.8	Very low	31.9	Very low	253 Å²	253	150.4 Å²	150.4	96%	0.955	80%	0.8	S	S	*	*				-155.4	169.2	103	-103.9	173.8	-164.7	-104.9	1.5	111.2
839	S	28.8	Very low	31.6	Very low	121 Å²	121	149 Å²	149	85%	0.846	80%	0.799	S	S	*	*			trans	-111.3	151	-153.9	48.2	0	0	0	0	116
840	G	30.2	Very low	31.7	Very low	80 Å²	80	147.5 Å²	147.5	83%	0.825	80%	0.798	S	S	*	*			trans	-160.5	109.9	171.2	0	0	0	0	0	113.3
841	Q	33	Very low	32	Very low	181 Å²	181	149.2 Å²	149.2	85%	0.846	80%	0.798	S	S	*	*			trans	-96.3	166.6	174	-73.7	174.3	-76.3	0	0	109.6
842	L	28.4	Very low	32.1	Very low	117 Å²	117	151.2 Å²	151.2	61%	0.613	79%	0.794	S	S	*	*			cis	-163.1	-169.9	-2.9	-123	171.5	0	0	0	109.6
843	H	31.3	Very low	32	Very low	157 Å²	157	153.9 Å²	153.9	73%	0.727	80%	0.801	S	S	*	*			trans	76.7	114.5	166.5	-60.7	-60.7	0	0	0	117.4
844	T	27.1	Very low	31.8	Very low	99 Å²	99	151.9 Å²	151.9	61%	0.607	79%	0.791	S	S	*	*			cis	85	105.2	34.6	77.9	0	0	0	0	116.6
845	R	33.9	Very low	31.9	Very low	231 Å²	231	155.3 Å²	155.3	87%	0.872	79%	0.791	S	S	*	*				169.9	103.3	121.7	-90	161.3	-171.4	-150.4	3.1	109.9
846	K	31.8	Very low	32.4	Very low	178 Å²	178	160.8 Å²	160.8	77%	0.774	82%	0.817	S	S	*	*				68.9	89.3	91.9	-76.6	-179.6	175	169.3	0	115.4
847	R	34.8	Very low	31.8	Very low	252 Å²	252	163.2 Å²	163.2	95%	0.951	82%	0.821	S	S	*	*			trans	-77.4	123.9	148.7	-153.5	178.8	-168.4	-159.7	4.2	107.8
848	R	34.9	Very low	32	Very low	204 Å²	204	164 Å²	164	77%	0.77	82%	0.823	S	S	*	*			trans	-100.1	135.1	167.8	-81	-179.3	159.7	177.6	-7.4	107.2
849	K	32.5	Very low	31.9	Very low	197 Å²	197	159.1 Å²	159.1	86%	0.857	82%	0.815	S	S	*	*				56.3	128	70.5	-73	-168.7	173.7	-173.1	0	110.7
850	S	34.3	Very low	32.1	Very low	102 Å²	102	161.3 Å²	161.3	71%	0.713	81%	0.813	S	S	*	*			cis	-160.2	-176	29.8	45.7	0	0	0	0	109.6
851	K	34.1	Very low	32.2	Very low	192 Å²	192	166.4 Å²	166.4	84%	0.835	81%	0.813	S	S	*	*			cis	-150.2	175.3	28.8	-64.2	176.3	-180	176.4	0	112.6
852	N	34.6	Very low	32.2	Very low	153 Å²	153	165.4 Å²	165.4	82%	0.818	81%	0.811	S	S	*	*			trans	-95.4	159.6	-179.7	-44.1	-9.1	0	0	0	112.4
853	C	30.3	Very low	32.4	Very low	118 Å²	118	168.9 Å²	168.9	80%	0.797	83%	0.825	S	S	*	*			trans	-157.4	148.3	131.9	-88.6	0	0	0	0	107.7
854	I	29.3	Very low	32.5	Very low	145 Å²	145	169.8 Å²	169.8	74%	0.744	83%	0.832	S	S	*	*			cis	73.6	126.8	39.5	-74.7	179.9	0	0	0	112
855	I	28.9	Very low	33	Very low	144 Å²	144	175.7 Å²	175.7	74%	0.738	85%	0.851	S	S	*	*			cis	-149.3	144.9	-8	-104.7	165	0	0	0	107.7
856	S	36.4	Very low	32.9	Very low	192 Å²	192	170.6 Å²	170.6	100%	1.343	85%	0.849	S	S	*	*			trans	176.2	0	137.9	-74.6	0	0	0	0	108.9

Retrieved 856 of 856 residues in 434.5 ms (Link to these results)

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