KIF17_MOUSE Loading...

Kinesin-like protein KIF17

Together with RAB23 and IFT57, it is required for the localization of specific G protein-coupled receptors, such as dopamime receptor DRD1, to primary cilia to primary cilia (By similarity). In association with the Apba1-containing complex (LIN-10-LIN-2-LIN-7 complex), transports vesicles containing N-methyl-D-aspartate (NMDA) receptor subunit NR2B along microtubules.

AlphaFold DB , UniProt , Accession Q99PW8, Species MOUSE (Mus musculus, Mouse), Gene Kif17, Length 1,038 aa.

						>KIF17_MOUSE|Q99PW8|Kif17
MASESVKVVVRCRPMNKRERELSCQSVVTVDSARGQCFIQNPGAADEPPKQFTFDGAYYIEHFTEQIYNEIAYPLVEGVTEGYNGTIFAYGQTGSGKSFTMQGLPDPPCQRGIIPRAFEHVFESVQCAENTKFLVRASYLEIYNEDVHDLLGADTKQRLELKEHPEKGVYVKGLSMHTVHNVAQCERVMETGWKNRAVGYTLMNKDSSRSHSIFTINIEIYAVDERGKDHLRAGKLNLVDLAGSERQSKTGATGERLKEATKINLSLSALGNVISALVDGRCKHIPYRDSKLTRLLQDSLGGNTKTLMVACLSPADNNYDETLSTLRYANRAKNIKNKPRINEDPKDALLREYQEEIKRLKAILAQQMGPGNLSALLSTQTPPGPVQSEEKLLSPTTVQQDTEAEKQLIREEYEERLARLKADYEAEQESRVRLQEDITAMRNSYDVKLSTLQENLRKEKETEAILKAEVLCKTEVMSRAELASGPEYSPPLQYETAVKPTILSMPDMPPSGKVTKSQAPLAFEEPHGETSRSEFSFESNECSTLEDSATSEAFPGPEEFSNMEFSMAAALTESRYLPEEYLGGQEAAASPLEAERYVQENEPSLEPLRILASLQDPFAEVEAKLARLSSTVAMSDSSQTVVPQIPKQPSSADLLEPSDTKSEADVAVADNVVLGTEPDVNLRVAEEVVSEAETGVWMESEAQVAHVAQVSEEAQPQPLLAMVSVRRESVGVEVAVLTEEELQPVDQQQVLARLQLLEQQVVGGEQAKNKDLREKHKRRKRYADERKKQLVAALQNSDEDGGDWVLLNVYDSIQEEVRAKSKLLEKMQRKLRAAEVEIKDLQSEFQLEKIDYLATIRRQERDSMLFQQLLEQVQPLIRRDCNYSNLEKIRRESSWDEDNGFWKIPDPIILKTSLPVVPTGTQNKPARKTSAVDSGEPHMQEEDRYKLMLSRSDSENIASNYFRSKRASQILSTDPMKSLTYHNSPPGLNSSLSNNSALPPTQTPEMPQPRPFRLESLDIPFSKAKRKKSKNSFGGEPL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.5	Low	87.5	Confident	211 Å²	211	49.8 Å²	49.8	100%	1.039	29%	0.287	S	S	*	.				0	143.4	0	-60.8	176.5	-175.5	0	0	109	R340	M1-R340 HydrophobicContact SD-CB 4.28Å
2	A	69.2	Low	88.3	Confident	95 Å²	95	45.8 Å²	45.8	79%	0.785	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-81.1	155.5	172.6	0	0	0	0	0	111.1
3	S	81.1	Confident	88.8	Confident	67 Å²	67	44.9 Å²	44.9	47%	0.469	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-89.1	134.1	172.5	56.4	0	0	0	0	111.5	N337	S3-N337 CarbonylContact C-O 3.58Å; S3-N337 VanDerWaalsContact CA-O 3.3Å; S3-N337 WeakPolarHBondContact CA-O 3.45Å; S3-N337 WeakPolarHBondContact CB-O 3.44Å
4	E	89.3	Confident	89.2	Confident	57 Å²	57	47.1 Å²	47.1	27%	0.266	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.6	172.5	-164.2	172	-177.2	0	0	109.5	K7 N337 P339	E4-K7 WeakPolarHBondContact OE1-CE 3.44Å; E4-K7 IonicContact OE1-NZ 3.72Å; E4-K7 PolarHBondContact OE1-NZ 2.65Å; E4-N337 PolarHBondContact N-O 2.89Å; E4-N337 PolarHBondContact O-N 2.92Å; E4-P339 HydrophobicContact CB-CG 4.01Å
5	S	93	Very high	89.4	Confident	36 Å²	36	47 Å²	47	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	148.6	169.3	-105	0	0	0	0	110.4	K7 K333 I335 K336	S5-K7 PolarHBondContact O-N 3.47Å; S5-K333 WeakPolarHBondContact CB-O 3.23Å; S5-K333 PolarHBondContact OG-O 2.87Å; S5-I335 WeakPolarHBondContact CA-O 3.32Å; S5-K336 PolarHBondContact OG-NZ 2.83Å
6	V	95.2	Very high	89.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-61.8	124.7	158.8	175.2	0	0	0	0	107.9	T306 K333 I335 N337	V6-T306 HydrophobicContact CG1-CG2 3.95Å; V6-K333 WeakPolarHBondContact O-CA 3.45Å; V6-I335 HydrophobicContact CB-CB 4.24Å; V6-I335 HydrophobicContact CG2-CB 3.7Å; V6-I335 HydrophobicContact CG2-CD1 4.5Å; V6-I335 HydrophobicContact CG2-CG2 3.73Å; V6-I335 PolarHBondContact N-O 3.09Å; V6-N337 WeakPolarHBondContact CG2-OD1 3.41Å
7	K	95.6	Very high	89.4	Confident	68 Å²	68	53.9 Å²	53.9	30%	0.296	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142.3	178.8	-66.8	176	-171.6	157.7	0	109.8	E4 S5 D55 I71 T306 L307 M308	E4-K7 WeakPolarHBondContact OE1-CE 3.44Å; E4-K7 IonicContact OE1-NZ 3.72Å; E4-K7 PolarHBondContact OE1-NZ 2.65Å; S5-K7 PolarHBondContact O-N 3.47Å; K7-D55 WeakPolarHBondContact CA-OD2 3.5Å; K7-I71 HydrophobicContact CD-CD1 4.13Å; K7-T306 PolarHBondContact N-O 2.87Å; K7-L307 HydrophobicContact CB-CD1 4.11Å; K7-L307 CarbonylContact O-C 3.58Å; K7-L307 WeakPolarHBondContact O-CA 3.25Å; K7-M308 PolarHBondContact O-N 2.68Å
8	V	97	Very high	89.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	127	-175.8	-175.6	0	0	0	0	109.4	F54 D55 M308 A329 A332 K333	V8-F54 HydrophobicContact CB-CD1 4.2Å; V8-F54 HydrophobicContact CG1-CD1 3.76Å; V8-F54 HydrophobicContact CG1-CE1 4.05Å; V8-F54 WeakPolarHBondContact O-CB 3.38Å; V8-D55 PolarHBondContact N-OD2 3.41Å; V8-D55 WeakPolarHBondContact O-CB 3.31Å; V8-D55 PolarHBondContact O-N 3Å; V8-M308 WeakPolarHBondContact CA-O 3.43Å; V8-M308 HydrophobicContact CB-CB 4.47Å; V8-M308 HydrophobicContact CG1-CB 4.27Å; V8-M308 HydrophobicContact CG1-CG 4.35Å; V8-M308 HydrophobicContact CG1-SD 4.11Å; V8-M308 HydrophobicContact CG2-CB 4.09Å; V8-M308 HydrophobicContact CG2-SD 4.46Å; V8-A329 HydrophobicContact CG1-CB 3.73Å; V8-A332 HydrophobicContact CG2-CB 4.08Å; V8-K333 HydrophobicContact CB-CB 4.1Å; V8-K333 HydrophobicContact CG2-CB 3.59Å
9	V	97.1	Very high	89.4	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.9	172.4	-58.9	0	0	0	0	111	D55 G56 Y58 I71 L307 M308 V309 A310	V9-D55 HydrophobicContact CG1-CB 4.39Å; V9-G56 VanDerWaalsContact CA-O 3.22Å; V9-G56 WeakPolarHBondContact CA-O 3.38Å; V9-G56 WeakPolarHBondContact CB-O 3.18Å; V9-Y58 HydrophobicContact CB-CD2 4.35Å; V9-Y58 HydrophobicContact CB-CE2 3.99Å; V9-Y58 HydrophobicContact CG1-CE2 4.24Å; V9-Y58 HydrophobicContact CG2-CE2 4.23Å; V9-I71 HydrophobicContact CG1-CB 4.26Å; V9-I71 HydrophobicContact CG1-CG1 3.84Å; V9-I71 HydrophobicContact CG1-CG2 4Å; V9-I71 HydrophobicContact CG2-CG2 4.26Å; V9-L307 HydrophobicContact CG1-CD1 4.29Å; V9-L307 HydrophobicContact CG2-CD1 4.19Å; V9-M308 PolarHBondContact N-O 3.45Å; V9-V309 HydrophobicContact CG2-CB 4.38Å; V9-V309 HydrophobicContact CG2-CG1 4.26Å; V9-V309 HydrophobicContact CG2-CG2 4.01Å; V9-A310 PolarHBondContact O-N 3.43Å
10	V	97.5	Very high	89.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142	173.1	-69.3	0	0	0	0	110.9	C37 F54 G56 A57 Y58 A310 L312 L326	V10-C37 HydrophobicContact CG2-CB 4.08Å; V10-F54 HydrophobicContact CB-CD2 4.33Å; V10-F54 HydrophobicContact CB-CE2 4.49Å; V10-F54 HydrophobicContact CG1-CD1 4.44Å; V10-F54 HydrophobicContact CG1-CD2 3.56Å; V10-F54 HydrophobicContact CG1-CE1 4.33Å; V10-F54 HydrophobicContact CG1-CE2 3.4Å; V10-F54 VanDerWaalsContact CG1-CE2 3.4Å; V10-F54 HydrophobicContact CG1-CG 4.08Å; V10-F54 HydrophobicContact CG1-CZ 3.82Å; V10-F54 HydrophobicContact CG2-CD2 3.8Å; V10-F54 HydrophobicContact CG2-CE2 4.26Å; V10-G56 PolarHBondContact N-O 3.38Å; V10-G56 VanDerWaalsContact N-O 3.1Å; V10-A57 HydrophobicContact CG2-CB 3.56Å; V10-Y58 WeakPolarHBondContact O-CD2 3.29Å; V10-Y58 PolarHBondContact O-N 3.24Å; V10-A310 CarbonylContact C-O 3.54Å; V10-A310 WeakPolarHBondContact CA-O 3.2Å; V10-A310 HydrophobicContact CG1-CB 3.98Å; V10-L312 HydrophobicContact CB-CD1 4.06Å; V10-L312 HydrophobicContact CG1-CD1 4.22Å; V10-L326 HydrophobicContact CG1-CD2 3.94Å
11	R	97.2	Very high	89.6	Confident	13 Å²	13	65.5 Å²	65.5	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	108.1	171.6	-169.8	-174.1	-166.1	172	11.1	110.1	Y58 H62 T64 I67 T100 A310 C311 L312	R11-Y58 WeakPolarHBondContact CA-O 3.37Å; R11-H62 PolarHBondContact NH2-O 3.27Å; R11-T64 PolarHBondContact NH1-OG1 3.11Å; R11-T64 PolarHBondContact NH2-OG1 3.06Å; R11-I67 HydrophobicContact CG-CD1 3.93Å; R11-T100 WeakPolarHBondContact CD-OG1 3.43Å; R11-T100 PolarHBondContact NH1-OG1 3.48Å; R11-A310 PolarHBondContact N-O 3.42Å; R11-C311 WeakPolarHBondContact O-CA 3.38Å; R11-L312 PolarHBondContact O-N 3.24Å
12	C	97	Very high	91.4	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.6	168.3	-166.5	0	0	0	0	109.3	V28 Y58 Y59	C12-V28 HydrophobicContact CB-CG1 4.31Å; C12-Y58 PolarHBondContact N-O 3.38Å; C12-Y59 HydrophobicContact CB-CD2 3.94Å; C12-Y59 HydrophobicContact CB-CE2 4.33Å; C12-Y59 CarbonylContact O-C 3.59Å
13	R	95	Very high	92.4	Very high	34 Å²	34	60 Å²	60	13%	0.128	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-84.6	161.5	175.8	63.8	149.5	174.8	70.4	3.9	111.7	N16 E19 G94 S95 L312 P314	R13-N16 PolarHBondContact NH2-ND2 2.86Å; R13-E19 IonicContact CZ-OE1 3.45Å; R13-E19 IonicContact CZ-OE2 2.95Å; R13-E19 IonicContact NH1-OE1 2.69Å; R13-E19 IonicContact NH1-OE2 2.68Å; R13-E19 PolarHBondContact NH1-OE2 3.48Å; R13-E19 IonicContact NH2-OE1 3.32Å; R13-E19 PolarHBondContact NH2-OE1 3.41Å; R13-E19 IonicContact NH2-OE2 3.11Å; R13-E19 PolarHBondContact NH2-OE2 2.92Å; R13-G94 PolarHBondContact NE-O 2.89Å; R13-G94 PolarHBondContact NH2-O 3.48Å; R13-S95 WeakPolarHBondContact CG-O 3.42Å; R13-L312 PolarHBondContact N-O 3.38Å; R13-P314 VanDerWaalsContact O-CD 3.26Å; R13-P314 WeakPolarHBondContact O-CD 3.16Å; R13-P314 WeakPolarHBondContact O-CG 3.43Å
14	P	94.3	Very high	92.8	Very high	75 Å²	75	57.4 Å²	57.4	49%	0.487	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-54.8	155.3	163.5	-22.3	31.8	0	0	0	112.2	I60	P14-I60 HydrophobicContact CG-CB 4.12Å
15	M	92.2	Very high	92.9	Very high	46 Å²	46	60.8 Å²	60.8	23%	0.227	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-56.7	144.2	171.2	-75.3	176.7	173.1	0	0	111.6	E19 R20 C24 P314	M15-E19 WeakPolarHBondContact CA-OE2 3.29Å; M15-E19 HydrophobicContact CB-CB 4.35Å; M15-R20 HydrophobicContact CB-CG 4.39Å; M15-R20 PolarHBondContact O-NH1 2.7Å; M15-C24 WeakPolarHBondContact CE-O 3.45Å; M15-P314 HydrophobicContact CG-CG 3.68Å
16	N	89.8	Confident	93	Very high	56 Å²	56	61.8 Å²	61.8	30%	0.299	30%	0.299	S	S	.	.			trans	-86.6	-179.9	174.5	74.2	46.8	0	0	0	111.6	R13 R18 E19 R20	R13-N16 PolarHBondContact NH2-ND2 2.86Å; N16-R18 WeakPolarHBondContact OD1-CA 3.42Å; N16-R18 WeakPolarHBondContact OD1-CB 3.41Å; N16-R18 PolarHBondContact OD1-N 3.46Å; N16-E19 PolarHBondContact N-OE2 3.22Å; N16-E19 PolarHBondContact ND2-OE1 2.94Å; N16-E19 VanDerWaalsContact ND2-OE1 3.14Å; N16-E19 PolarHBondContact ND2-OE2 2.87Å; N16-E19 PolarHBondContact OD1-N 3.42Å; N16-R20 PolarHBondContact O-N 3.39Å
17	K	89.4	Confident	92.9	Very high	155 Å²	155	62.3 Å²	62.3	67%	0.674	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-52	179.7	-71.2	-168.3	177.4	-173.4	0	112.2	E19 R20 E21	K17-E19 VanDerWaalsContact C-N 3.31Å; K17-E19 PolarHBondContact O-N 2.88Å; K17-R20 PolarHBondContact O-N 2.92Å; K17-R20 VanDerWaalsContact O-N 3.09Å; K17-E21 WeakPolarHBondContact CB-OE1 3.46Å; K17-E21 VanDerWaalsContact O-CG 3.29Å; K17-E21 WeakPolarHBondContact O-CG 3.36Å; K17-E21 PolarHBondContact O-N 2.69Å
18	R	86.5	Confident	92.9	Very high	170 Å²	170	59 Å²	59	64%	0.642	29%	0.288	S	S	*	.	H	α-helix	trans	-57.5	-38.8	178.8	-178.5	179.4	174.8	-171.5	-1.5	113.3	N16 E21 L22	N16-R18 WeakPolarHBondContact OD1-CA 3.42Å; N16-R18 WeakPolarHBondContact OD1-CB 3.41Å; N16-R18 PolarHBondContact OD1-N 3.46Å; R18-E21 WeakPolarHBondContact CA-OE2 3.37Å; R18-E21 PolarHBondContact O-N 2.93Å; R18-L22 HydrophobicContact CG-CD1 3.92Å; R18-L22 HydrophobicContact CG-CG 4.42Å; R18-L22 WeakPolarHBondContact O-CB 3.24Å; R18-L22 VanDerWaalsContact O-CG 3.25Å; R18-L22 WeakPolarHBondContact O-CG 3.42Å; R18-L22 PolarHBondContact O-N 3.37Å
19	E	91.3	Very high	92.8	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-37.8	177.7	-71.2	161.6	174.9	0	0	111.6	R13 M15 N16 K17 S23 C24 S313 A315 N318	R13-E19 IonicContact CZ-OE1 3.45Å; R13-E19 IonicContact CZ-OE2 2.95Å; R13-E19 IonicContact NH1-OE1 2.69Å; R13-E19 IonicContact NH1-OE2 2.68Å; R13-E19 PolarHBondContact NH1-OE2 3.48Å; R13-E19 IonicContact NH2-OE1 3.32Å; R13-E19 PolarHBondContact NH2-OE1 3.41Å; R13-E19 IonicContact NH2-OE2 3.11Å; R13-E19 PolarHBondContact NH2-OE2 2.92Å; M15-E19 WeakPolarHBondContact CA-OE2 3.29Å; M15-E19 HydrophobicContact CB-CB 4.35Å; N16-E19 PolarHBondContact N-OE2 3.22Å; N16-E19 PolarHBondContact ND2-OE1 2.94Å; N16-E19 VanDerWaalsContact ND2-OE1 3.14Å; N16-E19 PolarHBondContact ND2-OE2 2.87Å; N16-E19 PolarHBondContact OD1-N 3.42Å; K17-E19 VanDerWaalsContact C-N 3.31Å; K17-E19 PolarHBondContact O-N 2.88Å; E19-S23 PolarHBondContact O-N 3.46Å; E19-C24 HydrophobicContact CB-CB 4.3Å; E19-C24 VanDerWaalsContact O-CB 3.27Å; E19-C24 WeakPolarHBondContact O-CB 3.26Å; E19-C24 PolarHBondContact O-N 3.16Å; E19-S313 PolarHBondContact OE1-OG 3.35Å; E19-A315 HydrophobicContact CB-CB 4.12Å; E19-A315 HydrophobicContact CG-CB 3.7Å; E19-N318 PolarHBondContact OE1-ND2 3.4Å
20	R	91.3	Very high	92.7	Very high	141 Å²	141	64 Å²	64	53%	0.532	32%	0.319	S	S	.	.	H	α-helix	trans	-70.2	-41.1	171.1	-74.7	-173.6	-69.4	-82.8	-3.9	112.7	M15 N16 K17 L22 S23	M15-R20 HydrophobicContact CB-CG 4.39Å; M15-R20 PolarHBondContact O-NH1 2.7Å; N16-R20 PolarHBondContact O-N 3.39Å; K17-R20 PolarHBondContact O-N 2.92Å; K17-R20 VanDerWaalsContact O-N 3.09Å; R20-L22 PolarHBondContact O-N 2.95Å; R20-S23 PolarHBondContact O-N 2.92Å
21	E	91.6	Very high	92.4	Very high	142 Å²	142	66.4 Å²	66.4	66%	0.664	33%	0.332	S	S	*	.	H	α-helix	trans	-61.9	-32.6	177.3	-70.8	152.7	-164.6	0	0	111.9	K17 R18 S23	K17-E21 WeakPolarHBondContact CB-OE1 3.46Å; K17-E21 VanDerWaalsContact O-CG 3.29Å; K17-E21 WeakPolarHBondContact O-CG 3.36Å; K17-E21 PolarHBondContact O-N 2.69Å; R18-E21 WeakPolarHBondContact CA-OE2 3.37Å; R18-E21 PolarHBondContact O-N 2.93Å; E21-S23 VanDerWaalsContact C-N 3.32Å
22	L	89.8	Confident	92.1	Very high	97 Å²	97	68 Å²	68	51%	0.508	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	1.6	173.1	-68.2	172.1	0	0	0	114.1	R18 R20 C24	R18-L22 HydrophobicContact CG-CD1 3.92Å; R18-L22 HydrophobicContact CG-CG 4.42Å; R18-L22 WeakPolarHBondContact O-CB 3.24Å; R18-L22 VanDerWaalsContact O-CG 3.25Å; R18-L22 WeakPolarHBondContact O-CG 3.42Å; R18-L22 PolarHBondContact O-N 3.37Å; R20-L22 PolarHBondContact O-N 2.95Å; L22-C24 PolarHBondContact O-N 2.98Å
23	S	89.8	Confident	91.6	Very high	92 Å²	92	72 Å²	72	64%	0.643	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	30.2	-176.4	-54.5	0	0	0	0	114.8	E19 R20 E21 Q25	E19-S23 PolarHBondContact O-N 3.46Å; R20-S23 PolarHBondContact O-N 2.92Å; E21-S23 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-NE2 3.38Å
24	C	89.8	Confident	91.2	Very high	13 Å²	13	77.6 Å²	77.6	9%	0.088	40%	0.399	C	S	.	.			trans	-58.4	137.3	179.3	-72.5	0	0	0	0	112.6	M15 E19 L22 A315 D316	M15-C24 WeakPolarHBondContact CE-O 3.45Å; E19-C24 HydrophobicContact CB-CB 4.3Å; E19-C24 VanDerWaalsContact O-CB 3.27Å; E19-C24 WeakPolarHBondContact O-CB 3.26Å; E19-C24 PolarHBondContact O-N 3.16Å; L22-C24 PolarHBondContact O-N 2.98Å; C24-A315 HydrophobicContact CB-CB 3.74Å; C24-D316 WeakPolarHBondContact CA-OD1 3.39Å; C24-D316 WeakPolarHBondContact CB-OD1 3.35Å; C24-D316 PolarHBondContact SG-OD1 3.38Å
25	Q	91.6	Very high	91	Very high	128 Å²	128	74.3 Å²	74.3	60%	0.598	38%	0.379	S	S	*	.			trans	-84.2	155.2	172.7	-56.7	-52.1	-60.4	0	0	111.7	S23 V27 A315 D316	S23-Q25 PolarHBondContact O-NE2 3.38Å; Q25-V27 PolarHBondContact O-N 3.28Å; Q25-A315 WeakPolarHBondContact O-CA 3.45Å; Q25-D316 VanDerWaalsContact N-CG 3.33Å; Q25-D316 PolarHBondContact N-OD2 3.29Å; Q25-D316 PolarHBondContact O-N 3.11Å
26	S	93.6	Very high	91.1	Very high	57 Å²	57	72.9 Å²	72.9	40%	0.399	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-85.9	108.5	176.1	-163.7	0	0	0	0	110	P314	S26-P314 CarbonylContact C-O 3.29Å; S26-P314 WeakPolarHBondContact CA-O 3.5Å
27	V	94.5	Very high	91.3	Very high	11 Å²	11	70.2 Å²	70.2	7%	0.067	36%	0.357	C	S	.	.			trans	-93.8	-7.7	178.6	-65.1	0	0	0	0	113.5	Q25 I39 Q40 P42 P314 D316 Y319	Q25-V27 PolarHBondContact O-N 3.28Å; V27-I39 HydrophobicContact CG2-CG1 4.28Å; V27-I39 CarbonylContact O-C 3.28Å; V27-I39 VanDerWaalsContact O-CA 3.31Å; V27-I39 WeakPolarHBondContact O-CA 3.38Å; V27-Q40 PolarHBondContact O-N 2.9Å; V27-P42 HydrophobicContact CG1-CB 4.27Å; V27-P42 HydrophobicContact CG1-CG 4.45Å; V27-P314 WeakPolarHBondContact CG2-O 3.38Å; V27-P314 PolarHBondContact N-O 2.96Å; V27-D316 HydrophobicContact CG1-CB 3.78Å; V27-Y319 HydrophobicContact CG2-CD2 4.33Å
28	V	95.7	Very high	91.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.3	178.9	-177.8	0	0	0	0	110.5	C12 V30 F38 I39 Y59 T322	C12-V28 HydrophobicContact CB-CG1 4.31Å; V28-V30 HydrophobicContact CG1-CG2 4.25Å; V28-F38 WeakPolarHBondContact CA-O 3.48Å; V28-I39 HydrophobicContact CG2-CG1 4.27Å; V28-Y59 PolarHBondContact O-OH 2.91Å; V28-T322 HydrophobicContact CG2-CG2 3.75Å
29	T	93.9	Very high	92	Very high	78 Å²	78	56.8 Å²	56.8	48%	0.479	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.5	164.2	62.7	0	0	0	0	110.1	F38	T29-F38 PolarHBondContact N-O 3.48Å; T29-F38 PolarHBondContact O-N 3.35Å
30	V	94.4	Very high	92.1	Very high	27 Å²	27	59 Å²	59	16%	0.164	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.4	-171.6	166.4	0	0	0	0	110.2	V28 Q36 C37 A57 Y59	V28-V30 HydrophobicContact CG1-CG2 4.25Å; V30-Q36 CarbonylContact C-O 3.38Å; V30-Q36 WeakPolarHBondContact CA-O 3.47Å; V30-C37 HydrophobicContact CG2-CB 4.28Å; V30-A57 HydrophobicContact CG1-CB 3.66Å; V30-A57 WeakPolarHBondContact CG1-O 3.41Å; V30-Y59 HydrophobicContact CB-CD2 3.77Å; V30-Y59 HydrophobicContact CB-CG 4.05Å; V30-Y59 HydrophobicContact CG2-CD2 3.76Å; V30-Y59 HydrophobicContact CG2-CG 4.48Å
31	D	92.1	Very high	92.1	Very high	51 Å²	51	54.1 Å²	54.1	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	97.9	164.8	176.9	-19.4	0	0	0	108	A33 R34 G35 Q36 F38	D31-A33 PolarHBondContact O-N 2.95Å; D31-A33 WeakPolarHBondContact OD1-CA 3.45Å; D31-A33 WeakPolarHBondContact OD1-CB 3.45Å; D31-A33 PolarHBondContact OD1-N 3.16Å; D31-R34 PolarHBondContact O-N 3.3Å; D31-R34 PolarHBondContact OD1-N 2.83Å; D31-R34 WeakPolarHBondContact OD2-CD 3.26Å; D31-R34 VanDerWaalsContact OD2-CG 3.29Å; D31-R34 WeakPolarHBondContact OD2-CG 3.4Å; D31-G35 PolarHBondContact O-N 3.01Å; D31-G35 VanDerWaalsContact O-N 3.1Å; D31-Q36 HydrophobicContact CB-CB 4.26Å; D31-Q36 PolarHBondContact N-O 3.22Å; D31-Q36 PolarHBondContact O-N 3.21Å; D31-F38 HydrophobicContact CB-CE2 4.45Å
32	S	90	Very high	92	Very high	46 Å²	46	50.8 Å²	50.8	32%	0.322	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.9	-179.9	-61.8	0	0	0	0	113.7	A57 H62	S32-A57 WeakPolarHBondContact CA-O 3.28Å; S32-A57 WeakPolarHBondContact CB-O 3.41Å; S32-A57 PolarHBondContact OG-O 3.07Å; S32-H62 PolarHBondContact OG-CE1 3.01Å; S32-H62 VanDerWaalsContact OG-CE1 3.28Å
33	A	86.7	Confident	91.7	Very high	85 Å²	85	49.6 Å²	49.6	70%	0.702	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-30.3	178.7	0	0	0	0	0	111.7	D31	D31-A33 PolarHBondContact O-N 2.95Å; D31-A33 WeakPolarHBondContact OD1-CA 3.45Å; D31-A33 WeakPolarHBondContact OD1-CB 3.45Å; D31-A33 PolarHBondContact OD1-N 3.16Å
34	R	86.6	Confident	91.5	Very high	152 Å²	152	46.4 Å²	46.4	57%	0.574	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-1.2	179	-58	179.3	77	-158.1	4.7	114	D31 Q36	D31-R34 PolarHBondContact O-N 3.3Å; D31-R34 PolarHBondContact OD1-N 2.83Å; D31-R34 WeakPolarHBondContact OD2-CD 3.26Å; D31-R34 VanDerWaalsContact OD2-CG 3.29Å; D31-R34 WeakPolarHBondContact OD2-CG 3.4Å; R34-Q36 HydrophobicContact CB-CB 4.4Å; R34-Q36 HydrophobicContact CB-CG 3.97Å; R34-Q36 PolarHBondContact O-N 2.84Å
35	G	90.8	Very high	90.9	Very high	7 Å²	7	49.7 Å²	49.7	7%	0.072	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	26.3	-174.1	0	0	0	0	0	113.2	D31 F54	D31-G35 PolarHBondContact O-N 3.01Å; D31-G35 VanDerWaalsContact O-N 3.1Å; G35-F54 PolarHBondContact O-N 2.86Å
36	Q	93.3	Very high	90.4	Very high	15 Å²	15	51.5 Å²	51.5	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.1	-172	-71.9	173.9	5.9	0	0	111.9	V30 D31 R34 F38 Q51 F52 T53	V30-Q36 CarbonylContact C-O 3.38Å; V30-Q36 WeakPolarHBondContact CA-O 3.47Å; D31-Q36 HydrophobicContact CB-CB 4.26Å; D31-Q36 PolarHBondContact N-O 3.22Å; D31-Q36 PolarHBondContact O-N 3.21Å; R34-Q36 HydrophobicContact CB-CB 4.4Å; R34-Q36 HydrophobicContact CB-CG 3.97Å; R34-Q36 PolarHBondContact O-N 2.84Å; Q36-F38 HydrophobicContact CB-CE2 3.93Å; Q36-F38 HydrophobicContact CB-CZ 4.2Å; Q36-Q51 VanDerWaalsContact CD-NE2 3.31Å; Q36-F52 CarbonylContact C-O 3.59Å; Q36-F52 WeakPolarHBondContact CA-O 3.13Å; Q36-T53 HydrophobicContact CG-CG2 4.01Å
37	C	94.6	Very high	90	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.7	176.6	-173.2	0	0	0	0	108.9	V10 V30 F52 F54 L326	V10-C37 HydrophobicContact CG2-CB 4.08Å; V30-C37 HydrophobicContact CG2-CB 4.28Å; C37-F52 PolarHBondContact N-O 3.16Å; C37-F52 PolarHBondContact O-N 3.22Å; C37-F54 HydrophobicContact CB-CE2 4.32Å; C37-L326 HydrophobicContact CB-CD2 4.3Å
38	F	95.5	Very high	89.7	Confident	43 Å²	43	58.1 Å²	58.1	19%	0.189	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.2	179.7	-57.3	-93.5	0	0	0	109	V28 T29 D31 Q36 P49 K50 Q51	V28-F38 WeakPolarHBondContact CA-O 3.48Å; T29-F38 PolarHBondContact N-O 3.48Å; T29-F38 PolarHBondContact O-N 3.35Å; D31-F38 HydrophobicContact CB-CE2 4.45Å; Q36-F38 HydrophobicContact CB-CE2 3.93Å; Q36-F38 HydrophobicContact CB-CZ 4.2Å; F38-P49 HydrophobicContact CB-CB 4.26Å; F38-K50 WeakPolarHBondContact CA-O 3.22Å; F38-Q51 HydrophobicContact CD1-CB 3.8Å; F38-Q51 HydrophobicContact CD1-CG 3.93Å; F38-Q51 HydrophobicContact CE1-CB 3.77Å; F38-Q51 HydrophobicContact CE1-CG 3.5Å; F38-Q51 VanDerWaalsContact CE1-CG 3.5Å; F38-Q51 HydrophobicContact CZ-CG 4.03Å
39	I	95.4	Very high	89.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.9	173.9	-165.6	-173.6	0	0	0	111.3	V27 V28 P49 K50 F52 Y319 T322 L323 L326	V27-I39 HydrophobicContact CG2-CG1 4.28Å; V27-I39 CarbonylContact O-C 3.28Å; V27-I39 VanDerWaalsContact O-CA 3.31Å; V27-I39 WeakPolarHBondContact O-CA 3.38Å; V28-I39 HydrophobicContact CG2-CG1 4.27Å; I39-P49 CarbonylContact O-C 3.59Å; I39-P49 WeakPolarHBondContact O-CA 3.49Å; I39-K50 HydrophobicContact CG2-CB 3.99Å; I39-K50 PolarHBondContact N-O 3.45Å; I39-K50 PolarHBondContact O-N 2.94Å; I39-F52 HydrophobicContact CG2-CE2 4.05Å; I39-Y319 HydrophobicContact CD1-CD2 3.46Å; I39-Y319 VanDerWaalsContact CD1-CD2 3.46Å; I39-Y319 HydrophobicContact CD1-CE2 3.6Å; I39-Y319 HydrophobicContact CD1-CG 4.37Å; I39-Y319 HydrophobicContact CG1-CD2 3.79Å; I39-Y319 HydrophobicContact CG1-CE2 3.73Å; I39-T322 HydrophobicContact CD1-CG2 3.73Å; I39-L323 HydrophobicContact CD1-CB 4.15Å; I39-L323 HydrophobicContact CG2-CD1 4.11Å; I39-L326 HydrophobicContact CB-CD1 4.1Å; I39-L326 HydrophobicContact CD1-CD1 4.27Å; I39-L326 HydrophobicContact CG2-CD1 3.95Å
40	Q	93.5	Very high	89.4	Confident	54 Å²	54	59.5 Å²	59.5	25%	0.252	36%	0.36	S	S	.	.			trans	-82.1	137.8	178.2	-173.1	56.6	46	0	0	110.9	V27 P42 A44 E47 P49 Y319	V27-Q40 PolarHBondContact O-N 2.9Å; Q40-P42 WeakPolarHBondContact O-CD 3.41Å; Q40-A44 PolarHBondContact NE2-O 2.93Å; Q40-E47 PolarHBondContact NE2-O 3.28Å; Q40-P49 HydrophobicContact CB-CB 4.47Å; Q40-Y319 VanDerWaalsContact O-CD2 3.28Å; Q40-Y319 WeakPolarHBondContact O-CD2 3.33Å; Q40-Y319 WeakPolarHBondContact O-CE2 3.27Å
41	N	92.1	Very high	89.4	Confident	39 Å²	39	63.1 Å²	63.1	21%	0.209	38%	0.375	C	S	.	.			trans	-77.1	114.2	173	-175.2	-4.5	0	0	0	110	G43 A44 E47 Y319	N41-G43 PolarHBondContact O-N 3.21Å; N41-G43 PolarHBondContact OD1-N 3.49Å; N41-A44 HydrophobicContact CB-CB 4.33Å; N41-A44 WeakPolarHBondContact ND2-CB 3.47Å; N41-A44 CarbonylContact O-C 3.58Å; N41-A44 VanDerWaalsContact O-C 3.28Å; N41-A44 PolarHBondContact O-N 3.36Å; N41-E47 PolarHBondContact ND2-OE2 3.47Å; N41-Y319 HydrophobicContact CB-CE2 4.4Å
42	P	87.9	Confident	89.5	Confident	72 Å²	72	61.7 Å²	61.7	47%	0.468	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.8	179	29.6	-35	0	0	0	112.8	V27 Q40 D316 Y319	V27-P42 HydrophobicContact CG1-CB 4.27Å; V27-P42 HydrophobicContact CG1-CG 4.45Å; Q40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-D316 HydrophobicContact CB-CB 4.27Å; P42-D316 HydrophobicContact CG-CB 4.48Å; P42-Y319 HydrophobicContact CG-CD2 4.43Å; P42-Y319 HydrophobicContact CG-CG 4.18Å
43	G	85.1	Confident	89.8	Confident	72 Å²	72	62 Å²	62	74%	0.742	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.8	174.7	0	0	0	0	0	114.4	N41	N41-G43 PolarHBondContact O-N 3.21Å; N41-G43 PolarHBondContact OD1-N 3.49Å
44	A	84.9	Confident	90.2	Very high	24 Å²	24	58.7 Å²	58.7	20%	0.198	34%	0.336	C	S	.	.			trans	-147.3	83.1	178.7	0	0	0	0	0	109.8	Q40 N41 D46 E47	Q40-A44 PolarHBondContact NE2-O 2.93Å; N41-A44 HydrophobicContact CB-CB 4.33Å; N41-A44 WeakPolarHBondContact ND2-CB 3.47Å; N41-A44 CarbonylContact O-C 3.58Å; N41-A44 VanDerWaalsContact O-C 3.28Å; N41-A44 PolarHBondContact O-N 3.36Å; A44-D46 PolarHBondContact O-N 3.28Å; A44-E47 HydrophobicContact CB-CB 4.15Å; A44-E47 HydrophobicContact CB-CG 3.72Å; A44-E47 WeakPolarHBondContact CB-OE2 3.21Å; A44-E47 PolarHBondContact O-N 3.48Å
45	A	76.7	Confident	90.6	Very high	82 Å²	82	54.6 Å²	54.6	68%	0.678	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.1	179.9	0	0	0	0	0	113.2
46	D	81.9	Confident	90.7	Very high	167 Å²	167	54.7 Å²	54.7	89%	0.893	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.1	177.4	-52.4	-55.9	0	0	0	113.4	A44	A44-D46 PolarHBondContact O-N 3.28Å
47	E	85.6	Confident	90.8	Very high	97 Å²	97	54.1 Å²	54.1	45%	0.453	33%	0.325	S	S	.	.	S	Bend	trans	-76.2	137.5	173	-73.1	-177.7	156.9	0	0	110.3	Q40 N41 A44	Q40-E47 PolarHBondContact NE2-O 3.28Å; N41-E47 PolarHBondContact ND2-OE2 3.47Å; A44-E47 HydrophobicContact CB-CB 4.15Å; A44-E47 HydrophobicContact CB-CG 3.72Å; A44-E47 WeakPolarHBondContact CB-OE2 3.21Å; A44-E47 PolarHBondContact O-N 3.48Å
48	P	87	Confident	90.9	Very high	110 Å²	110	54.5 Å²	54.5	71%	0.714	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-63.5	143.7	174.7	27.7	-34.4	0	0	0	110.9	K50	P48-K50 PolarHBondContact O-N 2.9Å
49	P	90	Very high	90.8	Very high	58 Å²	58	54.5 Å²	54.5	38%	0.377	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-63.7	135.8	-177.9	25.2	-33.7	0	0	0	111	F38 I39 Q40 Q51	F38-P49 HydrophobicContact CB-CB 4.26Å; I39-P49 CarbonylContact O-C 3.59Å; I39-P49 WeakPolarHBondContact O-CA 3.49Å; Q40-P49 HydrophobicContact CB-CB 4.47Å; P49-Q51 PolarHBondContact O-N 2.92Å
50	K	93.4	Very high	90.7	Very high	49 Å²	49	57.7 Å²	57.7	21%	0.213	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	119.6	-179	-63.1	-166.3	-178.2	-124.9	0	109.8	F38 I39 P48 F52 L323 D840 E844	F38-K50 WeakPolarHBondContact CA-O 3.22Å; I39-K50 HydrophobicContact CG2-CB 3.99Å; I39-K50 PolarHBondContact N-O 3.45Å; I39-K50 PolarHBondContact O-N 2.94Å; P48-K50 PolarHBondContact O-N 2.9Å; K50-F52 HydrophobicContact CB-CE2 4.12Å; K50-L323 HydrophobicContact CD-CD1 4.35Å; K50-D840 IonicContact NZ-OD2 2.72Å; K50-D840 PolarHBondContact NZ-OD2 2.84Å; K50-E844 IonicContact NZ-OE1 3.7Å
51	Q	94.1	Very high	90.6	Very high	102 Å²	102	60.7 Å²	60.7	48%	0.477	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.9	-177.6	-179	-178.2	-22.4	0	0	111.5	Q36 F38 P49	Q36-Q51 VanDerWaalsContact CD-NE2 3.31Å; F38-Q51 HydrophobicContact CD1-CB 3.8Å; F38-Q51 HydrophobicContact CD1-CG 3.93Å; F38-Q51 HydrophobicContact CE1-CB 3.77Å; F38-Q51 HydrophobicContact CE1-CG 3.5Å; F38-Q51 VanDerWaalsContact CE1-CG 3.5Å; F38-Q51 HydrophobicContact CZ-CG 4.03Å; P49-Q51 PolarHBondContact O-N 2.92Å
52	F	95.8	Very high	90.5	Very high	21 Å²	21	60.8 Å²	60.8	9%	0.092	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.6	171.2	-60.3	-90.3	0	0	0	110.1	Q36 C37 I39 K50 F54 L323 L326 R327 N330	Q36-F52 CarbonylContact C-O 3.59Å; Q36-F52 WeakPolarHBondContact CA-O 3.13Å; C37-F52 PolarHBondContact N-O 3.16Å; C37-F52 PolarHBondContact O-N 3.22Å; I39-F52 HydrophobicContact CG2-CE2 4.05Å; K50-F52 HydrophobicContact CB-CE2 4.12Å; F52-F54 HydrophobicContact CB-CD2 4.3Å; F52-F54 HydrophobicContact CB-CE2 3.41Å; F52-F54 VanDerWaalsContact CB-CE2 3.41Å; F52-F54 HydrophobicContact CB-CZ 3.74Å; F52-F54 HydrophobicContact CG-CE2 4.37Å; F52-F54 HydrophobicContact CG-CZ 4.37Å; F52-L323 HydrophobicContact CE2-CD1 4.12Å; F52-L323 HydrophobicContact CZ-CD1 3.91Å; F52-L326 HydrophobicContact CB-CD2 4.48Å; F52-L326 HydrophobicContact CD1-CB 4.43Å; F52-L326 HydrophobicContact CD2-CB 3.99Å; F52-L326 HydrophobicContact CD2-CD1 3.97Å; F52-L326 HydrophobicContact CD2-CD2 4.17Å; F52-L326 HydrophobicContact CD2-CG 4.28Å; F52-L326 HydrophobicContact CE1-CB 4.27Å; F52-L326 HydrophobicContact CE2-CB 3.82Å; F52-L326 HydrophobicContact CE2-CD1 3.95Å; F52-L326 HydrophobicContact CE2-CG 4.39Å; F52-L326 HydrophobicContact CG-CB 4.3Å; F52-L326 HydrophobicContact CG-CD2 4.36Å; F52-L326 HydrophobicContact CZ-CB 3.96Å; F52-R327 HydrophobicContact CE1-CG 4.46Å; F52-R327 HydrophobicContact CZ-CG 4.39Å; F52-N330 HydrophobicContact CD1-CB 3.92Å; F52-N330 HydrophobicContact CE1-CB 4.3Å
53	T	95	Very high	90.8	Very high	54 Å²	54	61.7 Å²	61.7	33%	0.331	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.7	178	-47.1	0	0	0	0	110.4	Q36 K333	Q36-T53 HydrophobicContact CG-CG2 4.01Å; T53-K333 PolarHBondContact O-NZ 2.79Å
54	F	95.8	Very high	91.1	Very high	14 Å²	14	58.3 Å²	58.3	6%	0.061	32%	0.316	C	S	.	.			trans	-134	170.9	-171.1	-64.9	-70.5	0	0	0	111.6	V8 V10 G35 C37 F52 G56 L326 A329 N330	V8-F54 HydrophobicContact CB-CD1 4.2Å; V8-F54 HydrophobicContact CG1-CD1 3.76Å; V8-F54 HydrophobicContact CG1-CE1 4.05Å; V8-F54 WeakPolarHBondContact O-CB 3.38Å; V10-F54 HydrophobicContact CB-CD2 4.33Å; V10-F54 HydrophobicContact CB-CE2 4.49Å; V10-F54 HydrophobicContact CG1-CD1 4.44Å; V10-F54 HydrophobicContact CG1-CD2 3.56Å; V10-F54 HydrophobicContact CG1-CE1 4.33Å; V10-F54 HydrophobicContact CG1-CE2 3.4Å; V10-F54 VanDerWaalsContact CG1-CE2 3.4Å; V10-F54 HydrophobicContact CG1-CG 4.08Å; V10-F54 HydrophobicContact CG1-CZ 3.82Å; V10-F54 HydrophobicContact CG2-CD2 3.8Å; V10-F54 HydrophobicContact CG2-CE2 4.26Å; G35-F54 PolarHBondContact O-N 2.86Å; C37-F54 HydrophobicContact CB-CE2 4.32Å; F52-F54 HydrophobicContact CB-CD2 4.3Å; F52-F54 HydrophobicContact CB-CE2 3.41Å; F52-F54 VanDerWaalsContact CB-CE2 3.41Å; F52-F54 HydrophobicContact CB-CZ 3.74Å; F52-F54 HydrophobicContact CG-CE2 4.37Å; F52-F54 HydrophobicContact CG-CZ 4.37Å; F54-G56 PolarHBondContact O-N 3.02Å; F54-L326 HydrophobicContact CE2-CD2 3.71Å; F54-L326 HydrophobicContact CZ-CD2 3.93Å; F54-A329 HydrophobicContact CE1-CB 3.62Å; F54-A329 HydrophobicContact CZ-CB 3.99Å; F54-N330 HydrophobicContact CE1-CB 4.41Å
55	D	94.1	Very high	91.5	Very high	67 Å²	67	60.1 Å²	60.1	36%	0.358	32%	0.321	S	S	.	.	S	Bend	trans	-64.7	-15.8	175.4	-58.8	-99.1	0	0	0	113.1	K7 V8 V9 I71	K7-D55 WeakPolarHBondContact CA-OD2 3.5Å; V8-D55 PolarHBondContact N-OD2 3.41Å; V8-D55 WeakPolarHBondContact O-CB 3.31Å; V8-D55 PolarHBondContact O-N 3Å; V9-D55 HydrophobicContact CG1-CB 4.39Å; D55-I71 HydrophobicContact CB-CD1 4.42Å
56	G	93.3	Very high	92.2	Very high	9 Å²	9	59.7 Å²	59.7	9%	0.093	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.6	147.1	176	0	0	0	0	0	111	V9 V10 F54	V9-G56 VanDerWaalsContact CA-O 3.22Å; V9-G56 WeakPolarHBondContact CA-O 3.38Å; V9-G56 WeakPolarHBondContact CB-O 3.18Å; V10-G56 PolarHBondContact N-O 3.38Å; V10-G56 VanDerWaalsContact N-O 3.1Å; F54-G56 PolarHBondContact O-N 3.02Å
57	A	95.5	Very high	92.7	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.5	-177.8	0	0	0	0	0	111.3	V10 V30 S32	V10-A57 HydrophobicContact CG2-CB 3.56Å; V30-A57 HydrophobicContact CG1-CB 3.66Å; V30-A57 WeakPolarHBondContact CG1-O 3.41Å; S32-A57 WeakPolarHBondContact CA-O 3.28Å; S32-A57 WeakPolarHBondContact CB-O 3.41Å; S32-A57 PolarHBondContact OG-O 3.07Å
58	Y	95.7	Very high	93.2	Very high	8 Å²	8	47.5 Å²	47.5	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.3	-170.4	-60.2	-67.7	0	0	0	111.2	V9 V10 R11 C12 H62 I67 E70	V9-Y58 HydrophobicContact CB-CD2 4.35Å; V9-Y58 HydrophobicContact CB-CE2 3.99Å; V9-Y58 HydrophobicContact CG1-CE2 4.24Å; V9-Y58 HydrophobicContact CG2-CE2 4.23Å; V10-Y58 WeakPolarHBondContact O-CD2 3.29Å; V10-Y58 PolarHBondContact O-N 3.24Å; R11-Y58 WeakPolarHBondContact CA-O 3.37Å; C12-Y58 PolarHBondContact N-O 3.38Å; Y58-H62 HydrophobicContact CD1-CB 4.14Å; Y58-H62 AromaticContact CD1-CD2 3.66Å; Y58-H62 AromaticContact CD1-CG 3.97Å; Y58-I67 HydrophobicContact CD1-CD1 4.46Å; Y58-I67 HydrophobicContact CD1-CG1 3.83Å; Y58-I67 HydrophobicContact CD2-CB 4.47Å; Y58-I67 HydrophobicContact CD2-CD1 3.93Å; Y58-I67 HydrophobicContact CD2-CG1 3.74Å; Y58-I67 HydrophobicContact CD2-CG2 4.16Å; Y58-I67 HydrophobicContact CE1-CG1 4.02Å; Y58-I67 HydrophobicContact CE2-CB 4.24Å; Y58-I67 HydrophobicContact CE2-CG1 3.94Å; Y58-I67 HydrophobicContact CE2-CG2 3.84Å; Y58-I67 HydrophobicContact CG-CD1 3.87Å; Y58-I67 HydrophobicContact CG-CG1 3.67Å; Y58-E70 WeakPolarHBondContact CE1-OE2 3.21Å; Y58-E70 VanDerWaalsContact CZ-OE2 3.3Å; Y58-E70 PolarHBondContact OH-OE2 2.93Å
59	Y	94.6	Very high	93.4	Very high	43 Å²	43	43.9 Å²	43.9	17%	0.169	22%	0.217	C	C	.	.			trans	-100.2	-173.5	179	-156.9	-123.9	0	0	0	112.7	C12 V28 V30 E61 H62	C12-Y59 HydrophobicContact CB-CD2 3.94Å; C12-Y59 HydrophobicContact CB-CE2 4.33Å; C12-Y59 CarbonylContact O-C 3.59Å; V28-Y59 PolarHBondContact O-OH 2.91Å; V30-Y59 HydrophobicContact CB-CD2 3.77Å; V30-Y59 HydrophobicContact CB-CG 4.05Å; V30-Y59 HydrophobicContact CG2-CD2 3.76Å; V30-Y59 HydrophobicContact CG2-CG 4.48Å; Y59-E61 VanDerWaalsContact C-N 3.26Å; Y59-E61 WeakPolarHBondContact CB-OE1 3.19Å; Y59-E61 VanDerWaalsContact CD1-OE1 3.29Å; Y59-E61 WeakPolarHBondContact CD1-OE1 3.48Å; Y59-E61 PolarHBondContact O-N 3.21Å; Y59-E61 VanDerWaalsContact O-N 3.12Å; Y59-H62 PolarHBondContact N-ND1 3.25Å; Y59-H62 VanDerWaalsContact N-ND1 3.19Å; Y59-H62 WeakPolarHBondContact O-CB 3.43Å; Y59-H62 PolarHBondContact O-N 3.49Å; Y59-H62 PolarHBondContact O-ND1 3.09Å
60	I	92.7	Very high	93.3	Very high	68 Å²	68	42.9 Å²	42.9	35%	0.349	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.7	-162.2	67.3	-177.3	0	0	0	114.9	P14	P14-I60 HydrophobicContact CG-CB 4.12Å
61	E	90.8	Very high	93.2	Very high	117 Å²	117	41.8 Å²	41.8	55%	0.547	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.7	176.9	49.6	-72.6	116.9	0	0	114.6	Y59	Y59-E61 VanDerWaalsContact C-N 3.26Å; Y59-E61 WeakPolarHBondContact CB-OE1 3.19Å; Y59-E61 VanDerWaalsContact CD1-OE1 3.29Å; Y59-E61 WeakPolarHBondContact CD1-OE1 3.48Å; Y59-E61 PolarHBondContact O-N 3.21Å; Y59-E61 VanDerWaalsContact O-N 3.12Å
62	H	91.5	Very high	93.2	Very high	41 Å²	41	37 Å²	37	19%	0.19	18%	0.181	C	C	.	.			trans	-85.2	118.5	-175.3	-69	77.7	0	0	0	113.9	R11 S32 Y58 Y59	R11-H62 PolarHBondContact NH2-O 3.27Å; S32-H62 PolarHBondContact OG-CE1 3.01Å; S32-H62 VanDerWaalsContact OG-CE1 3.28Å; Y58-H62 HydrophobicContact CD1-CB 4.14Å; Y58-H62 AromaticContact CD1-CD2 3.66Å; Y58-H62 AromaticContact CD1-CG 3.97Å; Y59-H62 PolarHBondContact N-ND1 3.25Å; Y59-H62 VanDerWaalsContact N-ND1 3.19Å; Y59-H62 WeakPolarHBondContact O-CB 3.43Å; Y59-H62 PolarHBondContact O-N 3.49Å; Y59-H62 PolarHBondContact O-ND1 3.09Å
63	F	92.5	Very high	93.1	Very high	91 Å²	91	36.3 Å²	36.3	40%	0.399	18%	0.178	S	C	.	.			trans	-73.3	148.8	176.8	-61.5	-69.4	0	0	0	112	E65 Q66 C109 Q110	F63-E65 PolarHBondContact O-N 2.86Å; F63-E65 VanDerWaalsContact O-N 3.15Å; F63-Q66 PolarHBondContact O-N 3.34Å; F63-C109 HydrophobicContact CB-CB 4.29Å; F63-C109 HydrophobicContact CD1-CB 4.15Å; F63-C109 HydrophobicContact CG-CB 4.2Å; F63-Q110 HydrophobicContact CD1-CG 4.4Å
64	T	92.8	Very high	93	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-23.6	179.5	-45.3	0	0	0	0	112.3	R11 Y68 T100 C109 Q110 I113	R11-T64 PolarHBondContact NH1-OG1 3.11Å; R11-T64 PolarHBondContact NH2-OG1 3.06Å; T64-Y68 WeakPolarHBondContact O-CB 3.37Å; T64-Y68 PolarHBondContact O-N 3.15Å; T64-T100 HydrophobicContact CG2-CG2 4.36Å; T64-C109 PolarHBondContact N-O 3.4Å; T64-Q110 PolarHBondContact OG1-OE1 2.61Å; T64-I113 HydrophobicContact CG2-CG1 4.47Å
65	E	92.7	Very high	93	Very high	63 Å²	63	35.9 Å²	35.9	29%	0.294	18%	0.176	S	C	.	.	H	α-helix	trans	-60.3	-44.4	170.1	-175.8	144	-176	0	0	114.6	F63 Y68 N69 C109 R116	F63-E65 PolarHBondContact O-N 2.86Å; F63-E65 VanDerWaalsContact O-N 3.15Å; E65-Y68 PolarHBondContact O-N 3.16Å; E65-N69 WeakPolarHBondContact CG-ND2 3.47Å; E65-N69 WeakPolarHBondContact O-CB 3.41Å; E65-N69 VanDerWaalsContact O-CG 3.25Å; E65-N69 PolarHBondContact O-N 3.06Å; E65-N69 PolarHBondContact O-ND2 3.37Å; E65-C109 PolarHBondContact N-O 2.92Å; E65-R116 IonicContact OE1-NH1 3.17Å; E65-R116 IonicContact OE2-CZ 2.66Å; E65-R116 IonicContact OE2-NH1 3.63Å; E65-R116 PolarHBondContact OE2-NH1 3.43Å; E65-R116 IonicContact OE2-NH2 2.68Å
66	Q	91.4	Very high	93	Very high	73 Å²	73	32.7 Å²	32.7	34%	0.341	16%	0.159	S	C	.	.	H	α-helix	trans	-64.5	-48.1	-179	-67.9	162.9	-51.2	0	0	109.8	F63 Y68 N69 E70	F63-Q66 PolarHBondContact O-N 3.34Å; Q66-Y68 VanDerWaalsContact C-N 3.29Å; Q66-Y68 PolarHBondContact O-N 3.41Å; Q66-N69 PolarHBondContact O-N 3.23Å; Q66-E70 WeakPolarHBondContact O-CB 3.18Å; Q66-E70 VanDerWaalsContact O-CG 3.28Å; Q66-E70 WeakPolarHBondContact O-CG 3.29Å; Q66-E70 PolarHBondContact O-N 3.48Å
67	I	93.4	Very high	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-55.5	-45.1	174.8	-53.7	-179	0	0	0	110.7	R11 Y58 I71	R11-I67 HydrophobicContact CG-CD1 3.93Å; Y58-I67 HydrophobicContact CD1-CD1 4.46Å; Y58-I67 HydrophobicContact CD1-CG1 3.83Å; Y58-I67 HydrophobicContact CD2-CB 4.47Å; Y58-I67 HydrophobicContact CD2-CD1 3.93Å; Y58-I67 HydrophobicContact CD2-CG1 3.74Å; Y58-I67 HydrophobicContact CD2-CG2 4.16Å; Y58-I67 HydrophobicContact CE1-CG1 4.02Å; Y58-I67 HydrophobicContact CE2-CB 4.24Å; Y58-I67 HydrophobicContact CE2-CG1 3.94Å; Y58-I67 HydrophobicContact CE2-CG2 3.84Å; Y58-I67 HydrophobicContact CG-CD1 3.87Å; Y58-I67 HydrophobicContact CG-CG1 3.67Å; I67-I71 HydrophobicContact CG2-CG2 4.24Å; I67-I71 WeakPolarHBondContact O-CG2 3.44Å; I67-I71 PolarHBondContact O-N 2.82Å
68	Y	95.1	Very high	92.9	Very high	8 Å²	8	33.1 Å²	33.1	3%	0.031	16%	0.159	C	C	.	.	I	π-helix	trans	-63.7	-49.6	179.4	-174.4	-91	0	0	0	112.2	T64 E65 Q66 E70 A72 Y73 V76 I113 R116 A117 H120	T64-Y68 WeakPolarHBondContact O-CB 3.37Å; T64-Y68 PolarHBondContact O-N 3.15Å; E65-Y68 PolarHBondContact O-N 3.16Å; Q66-Y68 VanDerWaalsContact C-N 3.29Å; Q66-Y68 PolarHBondContact O-N 3.41Å; Y68-E70 VanDerWaalsContact C-N 3.29Å; Y68-E70 PolarHBondContact O-N 2.91Å; Y68-A72 HydrophobicContact CD2-CB 3.63Å; Y68-A72 HydrophobicContact CE2-CB 3.93Å; Y68-A72 HydrophobicContact CG-CB 4.23Å; Y68-A72 PolarHBondContact O-N 2.87Å; Y68-Y73 HydrophobicContact CE1-CD2 4.25Å; Y68-Y73 WeakPolarHBondContact O-CB 3.5Å; Y68-Y73 PolarHBondContact O-N 3.35Å; Y68-V76 HydrophobicContact CE2-CG2 4.39Å; Y68-I113 HydrophobicContact CD2-CB 4.41Å; Y68-I113 HydrophobicContact CD2-CG1 4.37Å; Y68-I113 HydrophobicContact CD2-CG2 4.17Å; Y68-I113 HydrophobicContact CE2-CG2 4.3Å; Y68-R116 HydrophobicContact CD1-CB 3.89Å; Y68-R116 HydrophobicContact CD1-CG 4.47Å; Y68-R116 HydrophobicContact CD2-CB 3.61Å; Y68-R116 HydrophobicContact CD2-CG 4.48Å; Y68-R116 HydrophobicContact CE1-CB 3.9Å; Y68-R116 HydrophobicContact CE2-CB 3.62Å; Y68-R116 HydrophobicContact CG-CB 3.76Å; Y68-R116 HydrophobicContact CG-CG 4.29Å; Y68-R116 PolarHBondContact OH-O 3.23Å; Y68-A117 HydrophobicContact CE2-CB 4.45Å; Y68-A117 WeakPolarHBondContact OH-CA 3.39Å; Y68-H120 HydrophobicContact CE1-CB 4.48Å; Y68-H120 WeakPolarHBondContact OH-CB 3.46Å; Y68-H120 PolarHBondContact OH-ND1 2.91Å; Y68-H120 VanDerWaalsContact OH-ND1 3.13Å
69	N	91.8	Very high	92.9	Very high	34 Å²	34	32.8 Å²	32.8	18%	0.182	16%	0.158	C	C	.	.	I	π-helix	trans	-67.1	-28.6	-176.1	-67.8	-22.4	0	0	0	113.1	E65 Q66 Y782	E65-N69 WeakPolarHBondContact CG-ND2 3.47Å; E65-N69 WeakPolarHBondContact O-CB 3.41Å; E65-N69 VanDerWaalsContact O-CG 3.25Å; E65-N69 PolarHBondContact O-N 3.06Å; E65-N69 PolarHBondContact O-ND2 3.37Å; Q66-N69 PolarHBondContact O-N 3.23Å; N69-Y782 HydrophobicContact CB-CE1 4.34Å
70	E	88.4	Confident	92.8	Very high	37 Å²	37	31.6 Å²	31.6	17%	0.173	16%	0.155	C	C	.	.	I	π-helix	trans	-83.9	-52.6	-178.6	-71.4	171.7	-164.8	0	0	113.5	Y58 Q66 Y68 R786	Y58-E70 WeakPolarHBondContact CE1-OE2 3.21Å; Y58-E70 VanDerWaalsContact CZ-OE2 3.3Å; Y58-E70 PolarHBondContact OH-OE2 2.93Å; Q66-E70 WeakPolarHBondContact O-CB 3.18Å; Q66-E70 VanDerWaalsContact O-CG 3.28Å; Q66-E70 WeakPolarHBondContact O-CG 3.29Å; Q66-E70 PolarHBondContact O-N 3.48Å; Y68-E70 VanDerWaalsContact C-N 3.29Å; Y68-E70 PolarHBondContact O-N 2.91Å; E70-R786 VanDerWaalsContact CG-NH1 3.33Å; E70-R786 IonicContact OE1-CZ 3.78Å; E70-R786 IonicContact OE1-NH1 2.83Å; E70-R786 PolarHBondContact OE1-NH1 3.03Å; E70-R786 IonicContact OE1-NH2 2.91Å
71	I	90.6	Very high	92.7	Very high	26 Å²	26	32 Å²	32	13%	0.133	16%	0.155	C	C	.	.	I	π-helix	trans	-116	-29.9	-168.8	-161.1	69.1	0	0	0	114.5	K7 V9 D55 I67 L307	K7-I71 HydrophobicContact CD-CD1 4.13Å; V9-I71 HydrophobicContact CG1-CB 4.26Å; V9-I71 HydrophobicContact CG1-CG1 3.84Å; V9-I71 HydrophobicContact CG1-CG2 4Å; V9-I71 HydrophobicContact CG2-CG2 4.26Å; D55-I71 HydrophobicContact CB-CD1 4.42Å; I67-I71 HydrophobicContact CG2-CG2 4.24Å; I67-I71 WeakPolarHBondContact O-CG2 3.44Å; I67-I71 PolarHBondContact O-N 2.82Å; I71-L307 HydrophobicContact CG1-CD1 3.71Å; I71-L307 HydrophobicContact CG1-CD2 4.23Å; I71-L307 HydrophobicContact CG2-CD1 4.29Å; I71-L307 HydrophobicContact CG2-CD2 3.87Å
72	A	93.8	Very high	92.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-84.3	-37.2	-179.3	0	0	0	0	0	112.6	Y68 L75 V76 I87 I113 L307	Y68-A72 HydrophobicContact CD2-CB 3.63Å; Y68-A72 HydrophobicContact CE2-CB 3.93Å; Y68-A72 HydrophobicContact CG-CB 4.23Å; Y68-A72 PolarHBondContact O-N 2.87Å; A72-L75 WeakPolarHBondContact O-CB 3.47Å; A72-L75 PolarHBondContact O-N 2.9Å; A72-V76 PolarHBondContact O-N 3.36Å; A72-I87 HydrophobicContact CB-CD1 3.99Å; A72-I113 HydrophobicContact CB-CG2 4.48Å; A72-L307 HydrophobicContact CB-CD2 4.29Å
73	Y	93.6	Very high	92.9	Very high	8 Å²	8	26.8 Å²	26.8	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-53.9	-47.8	-177.8	-179.5	-82.5	0	0	0	112.9	Y68 L75 V76 E77 H120 R779 K780 A783	Y68-Y73 HydrophobicContact CE1-CD2 4.25Å; Y68-Y73 WeakPolarHBondContact O-CB 3.5Å; Y68-Y73 PolarHBondContact O-N 3.35Å; Y73-L75 PolarHBondContact O-N 3.44Å; Y73-V76 PolarHBondContact O-N 3.36Å; Y73-E77 WeakPolarHBondContact O-CB 3.43Å; Y73-E77 PolarHBondContact O-N 2.87Å; Y73-H120 AromaticContact CD2-CE1 3.29Å; Y73-H120 WeakPolarHBondContact CD2-CE1 3.36Å; Y73-H120 AromaticContact CD2-ND1 3.59Å; Y73-H120 AromaticContact CD2-NE2 3.67Å; Y73-H120 AromaticContact CE2-CD2 3.66Å; Y73-H120 AromaticContact CE2-CE1 3.24Å; Y73-H120 WeakPolarHBondContact CE2-CE1 3.33Å; Y73-H120 AromaticContact CE2-ND1 3.82Å; Y73-H120 AromaticContact CE2-NE2 3.09Å; Y73-H120 WeakPolarHBondContact CE2-NE2 3.3Å; Y73-H120 AromaticContact CG-CE1 3.75Å; Y73-H120 AromaticContact CZ-CE1 3.68Å; Y73-H120 AromaticContact CZ-NE2 3.38Å; Y73-H120 PolarHBondContact O-CE1 3.36Å; Y73-R779 HydrophobicContact CE2-CB 3.96Å; Y73-K780 HydrophobicContact CE1-CB 4.39Å; Y73-K780 PolarHBondContact OH-N 3.21Å; Y73-A783 HydrophobicContact CD1-CB 3.49Å; Y73-A783 VanDerWaalsContact CD1-CB 3.49Å; Y73-A783 HydrophobicContact CE1-CB 3.9Å; Y73-A783 HydrophobicContact CG-CB 4.36Å
74	P	92.8	Very high	93	Very high	45 Å²	45	23.6 Å²	23.6	29%	0.292	12%	0.117	S	C	.	.	H	α-helix	trans	-67.1	-20.6	177.8	-20.3	34.3	0	0	0	114.6	G78	P74-G78 PolarHBondContact O-N 2.8Å
75	L	95	Very high	93.2	Very high	14 Å²	14	23.6 Å²	23.6	7%	0.073	12%	0.117	C	C	.	.	H	α-helix	trans	-78.8	-46.2	174.7	-174.1	160.4	0	0	0	110.2	A72 Y73 G78 V79 I87 L236 K305 L307	A72-L75 WeakPolarHBondContact O-CB 3.47Å; A72-L75 PolarHBondContact O-N 2.9Å; Y73-L75 PolarHBondContact O-N 3.44Å; L75-G78 WeakPolarHBondContact O-CA 3.36Å; L75-G78 PolarHBondContact O-N 3.41Å; L75-V79 HydrophobicContact CD2-CG2 4.46Å; L75-V79 PolarHBondContact O-N 2.91Å; L75-V79 VanDerWaalsContact O-N 3.12Å; L75-I87 HydrophobicContact CD1-CG1 4Å; L75-I87 HydrophobicContact CD2-CD1 4.24Å; L75-I87 HydrophobicContact CD2-CG1 3.94Å; L75-L236 HydrophobicContact CD2-CD1 3.66Å; L75-K305 WeakPolarHBondContact CD1-O 3.42Å; L75-K305 HydrophobicContact CG-CB 4.31Å; L75-L307 HydrophobicContact CD1-CB 3.58Å
76	V	95.5	Very high	93.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.3	-41.4	179.3	178.9	0	0	0	0	111.8	Y68 A72 Y73 G78 V79 T80 I87 A117 H120 V121 L236	Y68-V76 HydrophobicContact CE2-CG2 4.39Å; A72-V76 PolarHBondContact O-N 3.36Å; Y73-V76 PolarHBondContact O-N 3.36Å; V76-G78 PolarHBondContact O-N 3.36Å; V76-V79 PolarHBondContact O-N 2.91Å; V76-T80 PolarHBondContact O-N 3Å; V76-T80 VanDerWaalsContact O-N 3.1Å; V76-I87 HydrophobicContact CG2-CD1 4.42Å; V76-A117 HydrophobicContact CG2-CB 4.25Å; V76-H120 HydrophobicContact CG1-CB 4.17Å; V76-H120 WeakPolarHBondContact CG1-ND1 3.42Å; V76-V121 HydrophobicContact CG1-CG2 3.99Å; V76-L236 HydrophobicContact CG1-CD2 4.38Å; V76-L236 HydrophobicContact CG2-CD2 3.98Å
77	E	92.9	Very high	93.8	Very high	17 Å²	17	17.1 Å²	17.1	8%	0.079	9%	0.086	C	C	.	.	H	α-helix	trans	-56.3	-42.5	171.8	-174.7	80.4	166.4	0	0	110.2	Y73 V79 T80 E81 H120 H776 K780	Y73-E77 WeakPolarHBondContact O-CB 3.43Å; Y73-E77 PolarHBondContact O-N 2.87Å; E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 2.82Å; E77-T80 WeakPolarHBondContact CA-OG1 3.27Å; E77-T80 CarbonylContact O-C 3.58Å; E77-T80 PolarHBondContact O-N 3.41Å; E77-T80 VanDerWaalsContact O-N 3.09Å; E77-T80 PolarHBondContact O-OG1 2.94Å; E77-E81 PolarHBondContact O-N 2.91Å; E77-H120 IonicContact OE2-CE1 3.68Å; E77-H120 IonicContact OE2-NE2 2.71Å; E77-H120 PolarHBondContact OE2-NE2 3.21Å; E77-H776 IonicContact OE1-CE1 3.28Å; E77-H776 PolarHBondContact OE1-CE1 3.48Å; E77-H776 IonicContact OE1-NE2 2.74Å; E77-H776 IonicContact OE2-CE1 2.7Å; E77-H776 IonicContact OE2-NE2 3.97Å; E77-H776 PolarHBondContact OE2-NE2 3.45Å; E77-K780 WeakPolarHBondContact OE1-CD 3.16Å; E77-K780 VanDerWaalsContact OE1-CE 3.31Å; E77-K780 WeakPolarHBondContact OE1-CE 3.48Å; E77-K780 IonicContact OE1-NZ 3.17Å; E77-K780 PolarHBondContact OE1-NZ 3.25Å
78	G	93.1	Very high	93.9	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-33.7	173.8	0	0	0	0	0	113.9	P74 L75 V76 E81 G82 Y83	P74-G78 PolarHBondContact O-N 2.8Å; L75-G78 WeakPolarHBondContact O-CA 3.36Å; L75-G78 PolarHBondContact O-N 3.41Å; V76-G78 PolarHBondContact O-N 3.36Å; G78-E81 PolarHBondContact O-N 2.98Å; G78-G82 PolarHBondContact O-N 3.11Å; G78-Y83 VanDerWaalsContact O-CB 3.31Å; G78-Y83 WeakPolarHBondContact O-CB 3.42Å; G78-Y83 VanDerWaalsContact O-CD2 3.28Å; G78-Y83 WeakPolarHBondContact O-CD2 3.36Å; G78-Y83 PolarHBondContact O-N 2.96Å
79	V	95.5	Very high	94	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-70.1	-38.1	173.8	-175.6	0	0	0	0	111	L75 V76 E77 E81 G82 Y83 I218 L236	L75-V79 HydrophobicContact CD2-CG2 4.46Å; L75-V79 PolarHBondContact O-N 2.91Å; L75-V79 VanDerWaalsContact O-N 3.12Å; V76-V79 PolarHBondContact O-N 2.91Å; E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 2.82Å; V79-E81 PolarHBondContact O-N 3.48Å; V79-G82 PolarHBondContact O-N 3.18Å; V79-Y83 WeakPolarHBondContact CA-O 3.47Å; V79-I218 HydrophobicContact CG1-CD1 4.16Å; V79-L236 HydrophobicContact CB-CB 4.41Å; V79-L236 HydrophobicContact CG1-CB 4.03Å; V79-L236 HydrophobicContact CG2-CB 4.07Å; V79-L236 HydrophobicContact CG2-CD1 4.17Å
80	T	92.4	Very high	94.2	Very high	18 Å²	18	15.7 Å²	15.7	11%	0.11	8%	0.078	C	C	.	.	H	α-helix	trans	-68.5	-14.3	173.9	56.6	0	0	0	0	114.2	V76 E77 V121 I218 I220	V76-T80 PolarHBondContact O-N 3Å; V76-T80 VanDerWaalsContact O-N 3.1Å; E77-T80 WeakPolarHBondContact CA-OG1 3.27Å; E77-T80 CarbonylContact O-C 3.58Å; E77-T80 PolarHBondContact O-N 3.41Å; E77-T80 VanDerWaalsContact O-N 3.09Å; E77-T80 PolarHBondContact O-OG1 2.94Å; T80-V121 HydrophobicContact CG2-CG2 4.12Å; T80-I218 HydrophobicContact CG2-CD1 4.12Å; T80-I220 VanDerWaalsContact O-CD1 3.26Å; T80-I220 WeakPolarHBondContact O-CD1 3.41Å
81	E	90.4	Very high	94.4	Very high	77 Å²	77	14 Å²	14	36%	0.36	7%	0.07	S	C	.	.	H	α-helix	trans	-84	-17.9	168.9	-68.7	173.1	166.5	0	0	113.4	E77 G78 V79 Y83 R232	E77-E81 PolarHBondContact O-N 2.91Å; G78-E81 PolarHBondContact O-N 2.98Å; V79-E81 PolarHBondContact O-N 3.48Å; E81-Y83 HydrophobicContact CB-CD2 4.31Å; E81-R232 WeakPolarHBondContact O-CD 3.26Å; E81-R232 PolarHBondContact O-NH1 3.26Å
82	G	91.9	Very high	94.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.7	16.8	-177.9	0	0	0	0	0	115.9	G78 V79 I341 N342	G78-G82 PolarHBondContact O-N 3.11Å; V79-G82 PolarHBondContact O-N 3.18Å; G82-I341 WeakPolarHBondContact O-CA 3.33Å; G82-N342 PolarHBondContact O-N 2.84Å; G82-N342 PolarHBondContact O-ND2 3.03Å
83	Y	94.5	Very high	94	Very high	49 Å²	49	15.5 Å²	15.5	19%	0.192	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-84.8	158.8	170.6	-70.1	-95.9	0	0	0	112.3	G78 V79 E81 G234 K235 K305 P339 R340 I341	G78-Y83 VanDerWaalsContact O-CB 3.31Å; G78-Y83 WeakPolarHBondContact O-CB 3.42Å; G78-Y83 VanDerWaalsContact O-CD2 3.28Å; G78-Y83 WeakPolarHBondContact O-CD2 3.36Å; G78-Y83 PolarHBondContact O-N 2.96Å; V79-Y83 WeakPolarHBondContact CA-O 3.47Å; E81-Y83 HydrophobicContact CB-CD2 4.31Å; Y83-G234 WeakPolarHBondContact O-CA 3.25Å; Y83-K235 PolarHBondContact O-N 3.06Å; Y83-K305 HydrophobicContact CD1-CD 4.21Å; Y83-K305 HydrophobicContact CG-CD 4.13Å; Y83-P339 HydrophobicContact CD1-CB 4.03Å; Y83-P339 HydrophobicContact CE1-CB 4.34Å; Y83-R340 VanDerWaalsContact CD1-O 3.23Å; Y83-R340 WeakPolarHBondContact CD1-O 3.45Å; Y83-I341 HydrophobicContact CD1-CG1 4.47Å; Y83-I341 HydrophobicContact CD2-CG1 3.94Å; Y83-I341 HydrophobicContact CE1-CG1 4.05Å; Y83-I341 HydrophobicContact CE2-CD1 4.08Å; Y83-I341 HydrophobicContact CE2-CG1 3.47Å; Y83-I341 VanDerWaalsContact CE2-CG1 3.47Å; Y83-I341 HydrophobicContact CG-CG1 4.42Å
84	N	95.8	Very high	93.7	Very high	24 Å²	24	17.5 Å²	17.5	13%	0.128	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.6	158.7	-68.1	-24.1	0	0	0	110.4	K235 N303 T304 K305 N342	N84-K235 CarbonylContact C-O 3.58Å; N84-K235 WeakPolarHBondContact CA-O 3.47Å; N84-N303 WeakPolarHBondContact CB-O 3.39Å; N84-N303 PolarHBondContact ND2-ND2 2.9Å; N84-N303 PolarHBondContact ND2-O 3.33Å; N84-T304 HydrophobicContact CB-CG2 4.22Å; N84-K305 PolarHBondContact O-N 3.12Å; N84-N342 PolarHBondContact OD1-ND2 3.21Å
85	G	96.8	Very high	93.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.6	174.8	0	0	0	0	0	112	K235 L236 N237 K305	G85-K235 PolarHBondContact N-O 2.85Å; G85-L236 WeakPolarHBondContact O-CA 3.29Å; G85-N237 PolarHBondContact O-N 3.12Å; G85-K305 CarbonylContact C-O 3.58Å; G85-K305 VanDerWaalsContact CA-O 3.29Å; G85-K305 WeakPolarHBondContact CA-O 3.33Å
86	T	97.9	Very high	93.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	126.7	170.5	-67	0	0	0	0	110.6	F88 N237 V239 L296 S299 T304 K305 T306 L307	T86-F88 HydrophobicContact CG2-CD1 4.46Å; T86-N237 WeakPolarHBondContact CA-O 3.46Å; T86-N237 HydrophobicContact CG2-CB 4.12Å; T86-N237 PolarHBondContact OG1-ND2 3.04Å; T86-N237 VanDerWaalsContact OG1-ND2 3.1Å; T86-V239 HydrophobicContact CG2-CG2 4.37Å; T86-L296 HydrophobicContact CG2-CD2 4.41Å; T86-S299 PolarHBondContact OG1-OG 2.91Å; T86-T304 WeakPolarHBondContact OG1-CG2 3.38Å; T86-K305 PolarHBondContact N-O 3.09Å; T86-T306 HydrophobicContact CG2-CG2 4.41Å; T86-T306 CarbonylContact O-C 3.57Å; T86-T306 WeakPolarHBondContact O-CA 3.27Å; T86-L307 PolarHBondContact O-N 2.9Å
87	I	97.9	Very high	93.4	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.4	170.3	-51.6	177.6	0	0	0	107.7	A72 L75 V76 M101 I113 L236 N237 L238 V239 L307 V309	A72-I87 HydrophobicContact CB-CD1 3.99Å; L75-I87 HydrophobicContact CD1-CG1 4Å; L75-I87 HydrophobicContact CD2-CD1 4.24Å; L75-I87 HydrophobicContact CD2-CG1 3.94Å; V76-I87 HydrophobicContact CG2-CD1 4.42Å; I87-M101 HydrophobicContact CG2-CE 4.39Å; I87-M101 HydrophobicContact CG2-SD 4.36Å; I87-I113 HydrophobicContact CD1-CG2 3.63Å; I87-I113 HydrophobicContact CG2-CD1 4.19Å; I87-I113 HydrophobicContact CG2-CG2 4.35Å; I87-L236 HydrophobicContact CG1-CD1 4.47Å; I87-N237 PolarHBondContact N-O 3Å; I87-L238 HydrophobicContact CB-CD2 4.12Å; I87-L238 HydrophobicContact CD1-CD2 4.06Å; I87-L238 HydrophobicContact CG1-CD2 4.28Å; I87-V239 PolarHBondContact O-N 3.21Å; I87-L307 WeakPolarHBondContact CA-O 3.29Å; I87-L307 HydrophobicContact CD1-CD2 4.46Å; I87-L307 HydrophobicContact CG1-CB 4.31Å; I87-L307 HydrophobicContact CG1-CD2 4.35Å; I87-L307 HydrophobicContact CG2-CB 4.44Å; I87-L307 HydrophobicContact CG2-CD2 4.09Å; I87-L307 HydrophobicContact CG2-CG 4.26Å; I87-V309 HydrophobicContact CG2-CG2 4.19Å
88	F	96.6	Very high	93.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.5	178.3	72.7	-88.3	0	0	0	113.1	T86 V239 L241 L300 T306 L307 M308 V309	T86-F88 HydrophobicContact CG2-CD1 4.46Å; F88-V239 WeakPolarHBondContact CA-O 3.48Å; F88-V239 HydrophobicContact CB-CB 3.69Å; F88-V239 HydrophobicContact CB-CG1 4.15Å; F88-V239 HydrophobicContact CB-CG2 4.33Å; F88-L241 HydrophobicContact CD2-CD1 3.85Å; F88-L241 HydrophobicContact CE2-CD1 4.49Å; F88-L300 HydrophobicContact CE1-CD2 4.32Å; F88-L300 HydrophobicContact CZ-CD2 4.49Å; F88-T306 HydrophobicContact CD1-CG2 3.97Å; F88-T306 HydrophobicContact CE1-CG2 3.7Å; F88-L307 PolarHBondContact N-O 3.34Å; F88-M308 HydrophobicContact CD1-CB 4.45Å; F88-M308 HydrophobicContact CD2-CG 4.22Å; F88-M308 HydrophobicContact CE1-CB 3.81Å; F88-M308 HydrophobicContact CE1-CG 4.3Å; F88-M308 HydrophobicContact CE2-CB 3.98Å; F88-M308 HydrophobicContact CE2-CE 4.46Å; F88-M308 HydrophobicContact CE2-CG 3.54Å; F88-M308 HydrophobicContact CE2-SD 4.04Å; F88-M308 HydrophobicContact CZ-CB 3.55Å; F88-M308 HydrophobicContact CZ-CG 3.6Å; F88-M308 HydrophobicContact CZ-SD 4.01Å; F88-V309 PolarHBondContact O-N 2.92Å
89	A	96.5	Very high	93.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.5	174	0	0	0	0	0	111.1	K97 M101 V239 L241 V309	A89-K97 HydrophobicContact CB-CB 3.82Å; A89-K97 HydrophobicContact CB-CG 4.17Å; A89-M101 HydrophobicContact CB-CG 3.68Å; A89-M101 HydrophobicContact CB-SD 3.97Å; A89-V239 PolarHBondContact N-O 2.84Å; A89-L241 VanDerWaalsContact O-CB 3.31Å; A89-L241 WeakPolarHBondContact O-CB 3.48Å; A89-L241 WeakPolarHBondContact O-CG 3.45Å; A89-L241 PolarHBondContact O-N 2.94Å; A89-V309 CarbonylContact C-O 3.56Å; A89-V309 WeakPolarHBondContact CA-O 3.31Å
90	Y	95.6	Very high	93.4	Very high	10 Å²	10	19.9 Å²	19.9	4%	0.039	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158.6	-175.6	179.3	-99.4	0	0	0	112.2	L241 L267 M308 V309 C311 T325 Y328	Y90-L241 HydrophobicContact CD2-CD1 3.88Å; Y90-L267 HydrophobicContact CD2-CD2 4.46Å; Y90-L267 HydrophobicContact CE2-CD2 4.18Å; Y90-M308 HydrophobicContact CD1-CE 3.36Å; Y90-M308 HydrophobicContact CE1-CE 4.28Å; Y90-M308 HydrophobicContact CG-CE 3.77Å; Y90-V309 PolarHBondContact N-O 2.82Å; Y90-C311 PolarHBondContact O-N 2.93Å; Y90-T325 HydrophobicContact CD1-CG2 3.95Å; Y90-T325 HydrophobicContact CE1-CG2 4.11Å; Y90-Y328 AromaticContact CD1-CD1 3.92Å; Y90-Y328 HydrophobicContact CD1-CD1 3.92Å; Y90-Y328 HydrophobicContact CD1-CE1 4.26Å; Y90-Y328 HydrophobicContact CD1-CG 4.4Å; Y90-Y328 HydrophobicContact CD2-CE1 4.43Å; Y90-Y328 AromaticContact CE1-CD1 3.56Å; Y90-Y328 HydrophobicContact CE1-CD1 3.56Å; Y90-Y328 HydrophobicContact CE1-CD2 4.13Å; Y90-Y328 HydrophobicContact CE1-CE1 4.03Å; Y90-Y328 AromaticContact CE1-CG 3.61Å; Y90-Y328 HydrophobicContact CE1-CG 3.61Å; Y90-Y328 HydrophobicContact CE2-CE1 4.21Å; Y90-Y328 HydrophobicContact CE2-CE2 4.4Å; Y90-Y328 HydrophobicContact CG-CE1 4.46Å; Y90-Y328 AromaticContact CZ-CD1 3.92Å; Y90-Y328 AromaticContact CZ-CD2 3.88Å; Y90-Y328 AromaticContact CZ-CE2 3.97Å; Y90-Y328 AromaticContact CZ-CG 3.85Å; Y90-Y328 WeakPolarHBondContact OH-CD2 3.3Å
91	G	93.2	Very high	93.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	124.6	-177	-178.7	0	0	0	0	0	112.9	K97 S244	G91-K97 PolarHBondContact O-NZ 3.37Å; G91-S244 PolarHBondContact O-N 3.48Å; G91-S244 PolarHBondContact O-OG 2.74Å
92	Q	89.8	Confident	93.5	Very high	16 Å²	16	17.8 Å²	17.8	8%	0.075	10%	0.104	C	C	.	.	S	Bend	trans	-63.5	165.3	-176.3	66.8	174.5	112.5	0	0	114.2	S95 K97 S244 E245 N318 E321	Q92-S95 PolarHBondContact O-N 2.81Å; Q92-S95 PolarHBondContact O-OG 3.26Å; Q92-S95 VanDerWaalsContact O-OG 3.07Å; Q92-K97 PolarHBondContact O-NZ 2.8Å; Q92-S244 PolarHBondContact N-OG 3.21Å; Q92-E245 HydrophobicContact CB-CB 4.39Å; Q92-N318 PolarHBondContact NE2-OD1 2.58Å; Q92-E321 HydrophobicContact CB-CB 4.3Å
93	T	87.1	Confident	93.5	Very high	43 Å²	43	18.4 Å²	18.4	26%	0.264	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	136	164.5	-70.5	0	0	0	0	110.7	S95 S208 G243 E245	T93-S95 VanDerWaalsContact C-N 3.27Å; T93-S95 PolarHBondContact O-N 2.79Å; T93-S208 WeakPolarHBondContact OG1-CB 3.47Å; T93-G243 WeakPolarHBondContact OG1-CA 3.29Å; T93-E245 WeakPolarHBondContact CB-OE1 3.43Å; T93-E245 WeakPolarHBondContact CB-OE2 3.32Å; T93-E245 PolarHBondContact N-OE2 3Å; T93-E245 PolarHBondContact OG1-OE1 2.92Å; T93-E245 PolarHBondContact OG1-OE2 3.17Å; T93-E245 VanDerWaalsContact OG1-OE2 3.13Å
94	G	86.6	Confident	93.2	Very high	49 Å²	49	20 Å²	20	51%	0.505	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	11.4	179.4	0	0	0	0	0	115.3	R13	R13-G94 PolarHBondContact NE-O 2.89Å; R13-G94 PolarHBondContact NH2-O 3.48Å
95	S	91.9	Very high	92.6	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	15%	0.149	C	C	.	.	S	Bend	trans	-81.6	-13.6	172.4	69.8	0	0	0	0	114.7	R13 Q92 T93 C311	R13-S95 WeakPolarHBondContact CG-O 3.42Å; Q92-S95 PolarHBondContact O-N 2.81Å; Q92-S95 PolarHBondContact O-OG 3.26Å; Q92-S95 VanDerWaalsContact O-OG 3.07Å; T93-S95 VanDerWaalsContact C-N 3.27Å; T93-S95 PolarHBondContact O-N 2.79Å; S95-C311 WeakPolarHBondContact CB-O 3.45Å; S95-C311 VanDerWaalsContact OG-CB 3.23Å; S95-C311 WeakPolarHBondContact OG-CB 3.5Å; S95-C311 PolarHBondContact OG-O 3.23Å
96	G	92.1	Very high	92.1	Very high	16 Å²	16	29.9 Å²	29.9	17%	0.165	18%	0.181	C	C	.	.	S	Bend	trans	113.5	18.4	175.8	0	0	0	0	0	116.4	F99 T100	G96-F99 PolarHBondContact O-N 3.27Å; G96-T100 WeakPolarHBondContact O-CB 3.48Å; G96-T100 PolarHBondContact O-N 3.15Å; G96-T100 PolarHBondContact O-OG1 2.99Å
97	K	93.8	Very high	91.6	Very high	11 Å²	11	32.8 Å²	32.8	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-53.5	-65	176.6	-60	-168.3	-63.2	-82.3	0	112.9	A89 G91 Q92 F99 T100 M101 D240 L241 A242 C311	A89-K97 HydrophobicContact CB-CB 3.82Å; A89-K97 HydrophobicContact CB-CG 4.17Å; G91-K97 PolarHBondContact O-NZ 3.37Å; Q92-K97 PolarHBondContact O-NZ 2.8Å; K97-F99 PolarHBondContact O-N 2.87Å; K97-T100 WeakPolarHBondContact O-CA 3.44Å; K97-T100 PolarHBondContact O-N 3.4Å; K97-M101 PolarHBondContact O-N 3.39Å; K97-D240 WeakPolarHBondContact CB-OD1 3.3Å; K97-L241 WeakPolarHBondContact CE-O 3.37Å; K97-A242 WeakPolarHBondContact CE-O 3.25Å; K97-A242 PolarHBondContact NZ-O 3.39Å; K97-A242 VanDerWaalsContact NZ-O 3.09Å; K97-C311 HydrophobicContact CG-CB 4.12Å
98	S	91.8	Very high	91.1	Very high	27 Å²	27	36.7 Å²	36.7	19%	0.189	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-30.1	179	-35.8	0	0	0	0	112.6	T100 M101 Q102 G103 D240	S98-T100 VanDerWaalsContact C-N 3.29Å; S98-T100 PolarHBondContact O-N 3.27Å; S98-M101 PolarHBondContact O-N 2.98Å; S98-Q102 WeakPolarHBondContact O-CA 3.49Å; S98-Q102 WeakPolarHBondContact O-CB 3.28Å; S98-Q102 PolarHBondContact O-N 2.91Å; S98-G103 PolarHBondContact O-N 2.94Å; S98-D240 WeakPolarHBondContact CA-OD1 3.42Å; S98-D240 WeakPolarHBondContact CB-OD2 3.35Å; S98-D240 PolarHBondContact N-OD1 2.79Å; S98-D240 VanDerWaalsContact OG-CG 3.3Å; S98-D240 PolarHBondContact OG-OD1 3.44Å; S98-D240 PolarHBondContact OG-OD2 2.84Å
99	F	93.1	Very high	90.7	Very high	73 Å²	73	38.2 Å²	38.2	32%	0.32	24%	0.236	S	C	.	.	H	α-helix	trans	-67.7	-26.1	171.8	179.5	-91.1	0	0	0	113	G96 K97 G103 L104 Q110	G96-F99 PolarHBondContact O-N 3.27Å; K97-F99 PolarHBondContact O-N 2.87Å; F99-G103 WeakPolarHBondContact O-CA 3.23Å; F99-G103 PolarHBondContact O-N 2.87Å; F99-L104 HydrophobicContact CD2-CG 4.36Å; F99-L104 HydrophobicContact CE2-CD1 3.94Å; F99-L104 HydrophobicContact CE2-CG 3.89Å; F99-Q110 HydrophobicContact CZ-CB 4.41Å; F99-Q110 HydrophobicContact CZ-CG 4.46Å
100	T	95.2	Very high	90.3	Very high	1 Å²	1	40 Å²	40	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-87.3	-35.1	175.4	-53	0	0	0	0	111.3	R11 T64 G96 K97 S98 G112 I113 V309	R11-T100 WeakPolarHBondContact CD-OG1 3.43Å; R11-T100 PolarHBondContact NH1-OG1 3.48Å; T64-T100 HydrophobicContact CG2-CG2 4.36Å; G96-T100 WeakPolarHBondContact O-CB 3.48Å; G96-T100 PolarHBondContact O-N 3.15Å; G96-T100 PolarHBondContact O-OG1 2.99Å; K97-T100 WeakPolarHBondContact O-CA 3.44Å; K97-T100 PolarHBondContact O-N 3.4Å; S98-T100 VanDerWaalsContact C-N 3.29Å; S98-T100 PolarHBondContact O-N 3.27Å; T100-G112 WeakPolarHBondContact O-CA 3.42Å; T100-I113 HydrophobicContact CG2-CD1 3.91Å; T100-I113 HydrophobicContact CG2-CG1 4.45Å; T100-I113 WeakPolarHBondContact O-CG1 3.41Å; T100-I113 PolarHBondContact O-N 2.94Å; T100-V309 HydrophobicContact CG2-CG1 3.97Å
101	M	94.8	Very high	90.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-76.4	-55.1	177.7	-61.6	-54.5	-69.4	0	0	112.7	I87 A89 K97 S98 G112 I113 I114 L238 D240	I87-M101 HydrophobicContact CG2-CE 4.39Å; I87-M101 HydrophobicContact CG2-SD 4.36Å; A89-M101 HydrophobicContact CB-CG 3.68Å; A89-M101 HydrophobicContact CB-SD 3.97Å; K97-M101 PolarHBondContact O-N 3.39Å; S98-M101 PolarHBondContact O-N 2.98Å; M101-G112 CarbonylContact O-C 3.57Å; M101-G112 WeakPolarHBondContact O-CA 3.34Å; M101-I113 PolarHBondContact O-N 3.47Å; M101-I113 VanDerWaalsContact O-N 3.07Å; M101-I113 HydrophobicContact SD-CD1 4.37Å; M101-I114 HydrophobicContact CB-CD1 3.89Å; M101-I114 HydrophobicContact CB-CG1 4.3Å; M101-I114 HydrophobicContact CE-CD1 4.47Å; M101-I114 HydrophobicContact CE-CG1 4.23Å; M101-I114 WeakPolarHBondContact O-CB 3.37Å; M101-I114 VanDerWaalsContact O-CG1 3.28Å; M101-I114 WeakPolarHBondContact O-CG1 3.49Å; M101-I114 PolarHBondContact O-N 2.78Å; M101-L238 HydrophobicContact CE-CB 3.97Å; M101-L238 HydrophobicContact CE-CD2 4.38Å; M101-D240 HydrophobicContact CB-CB 4.44Å; M101-D240 HydrophobicContact CG-CB 4.24Å
102	Q	91.7	Very high	90.2	Very high	49 Å²	49	41.5 Å²	41.5	23%	0.229	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-46.5	-179.4	-171.4	-177.2	30.1	0	0	112.2	S98 G112 M189	S98-Q102 WeakPolarHBondContact O-CA 3.49Å; S98-Q102 WeakPolarHBondContact O-CB 3.28Å; S98-Q102 PolarHBondContact O-N 2.91Å; Q102-G112 VanDerWaalsContact O-CA 3.28Å; Q102-G112 WeakPolarHBondContact O-CA 3.41Å; Q102-G112 PolarHBondContact O-N 2.99Å; Q102-M189 HydrophobicContact CG-SD 4.5Å
103	G	90.9	Very high	90.6	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	70	-160.9	-178.7	0	0	0	0	0	114.5	S98 F99 Q110	S98-G103 PolarHBondContact O-N 2.94Å; F99-G103 WeakPolarHBondContact O-CA 3.23Å; F99-G103 PolarHBondContact O-N 2.87Å; G103-Q110 WeakPolarHBondContact CA-O 3.33Å
104	L	87.8	Confident	91	Very high	84 Å²	84	39.1 Å²	39.1	44%	0.44	24%	0.236	S	C	.	.			trans	-107.9	143.8	174.6	-63	175.9	0	0	0	109.7	F99 D106 Q110 R111	F99-L104 HydrophobicContact CD2-CG 4.36Å; F99-L104 HydrophobicContact CE2-CD1 3.94Å; F99-L104 HydrophobicContact CE2-CG 3.89Å; L104-D106 VanDerWaalsContact C-N 3.29Å; L104-D106 PolarHBondContact O-N 2.89Å; L104-Q110 HydrophobicContact CB-CB 4.35Å; L104-Q110 PolarHBondContact N-O 3.42Å; L104-Q110 VanDerWaalsContact N-O 3.13Å; L104-Q110 CarbonylContact O-C 3.48Å; L104-R111 WeakPolarHBondContact O-CA 3.49Å; L104-R111 WeakPolarHBondContact O-CG 3.48Å; L104-R111 PolarHBondContact O-N 3.25Å; L104-R111 VanDerWaalsContact O-N 3.14Å
105	P	83.9	Confident	91.4	Very high	105 Å²	105	37 Å²	37	68%	0.682	21%	0.213	S	C	*	.	S	Bend	trans	-66.1	-34.1	176.3	27.4	-33.9	0	0	0	112.2	R111	P105-R111 WeakPolarHBondContact O-CD 3.31Å
106	D	85.3	Confident	91.5	Very high	125 Å²	125	37.5 Å²	37.5	67%	0.668	22%	0.215	S	C	*	.	S	Bend	trans	-134	132.7	-177.7	-172.8	42.2	0	0	0	108.7	L104	L104-D106 VanDerWaalsContact C-N 3.29Å; L104-D106 PolarHBondContact O-N 2.89Å
107	P	88.2	Confident	91.7	Very high	62 Å²	62	36.8 Å²	36.8	40%	0.403	21%	0.207	S	C	.	.	S	Bend	cis	-68.4	150.1	-4.8	30.3	-36	0	0	0	112.8	C109 Q110	P107-C109 PolarHBondContact O-N 3.47Å; P107-Q110 HydrophobicContact CG-CB 4.34Å; P107-Q110 HydrophobicContact CG-CG 3.88Å; P107-Q110 PolarHBondContact O-N 3.37Å
108	P	87.3	Confident	91.8	Very high	82 Å²	82	36.3 Å²	36.3	53%	0.532	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-55.3	-26.4	-176.9	-30.2	36.4	0	0	0	115.7	Q110 R111 R116	P108-Q110 PolarHBondContact O-N 2.89Å; P108-R111 PolarHBondContact O-N 2.84Å; P108-R116 PolarHBondContact O-NH2 3.18Å
109	C	87.6	Confident	91.8	Very high	34 Å²	34	37.6 Å²	37.6	23%	0.23	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-67.8	-17.5	174.9	61.1	0	0	0	0	114	F63 T64 E65 P107 R116	F63-C109 HydrophobicContact CB-CB 4.29Å; F63-C109 HydrophobicContact CD1-CB 4.15Å; F63-C109 HydrophobicContact CG-CB 4.2Å; T64-C109 PolarHBondContact N-O 3.4Å; E65-C109 PolarHBondContact N-O 2.92Å; P107-C109 PolarHBondContact O-N 3.47Å; C109-R116 VanDerWaalsContact C-NH2 3.28Å; C109-R116 PolarHBondContact O-NH2 3.37Å; C109-R116 VanDerWaalsContact O-NH2 3.13Å
110	Q	88.5	Confident	91.8	Very high	38 Å²	38	34.2 Å²	34.2	18%	0.178	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-98.8	-0.6	177.7	-63.2	-69.5	20.5	0	0	114.1	F63 T64 F99 G103 L104 P107 P108 G112	F63-Q110 HydrophobicContact CD1-CG 4.4Å; T64-Q110 PolarHBondContact OG1-OE1 2.61Å; F99-Q110 HydrophobicContact CZ-CB 4.41Å; F99-Q110 HydrophobicContact CZ-CG 4.46Å; G103-Q110 WeakPolarHBondContact CA-O 3.33Å; L104-Q110 HydrophobicContact CB-CB 4.35Å; L104-Q110 PolarHBondContact N-O 3.42Å; L104-Q110 VanDerWaalsContact N-O 3.13Å; L104-Q110 CarbonylContact O-C 3.48Å; P107-Q110 HydrophobicContact CG-CB 4.34Å; P107-Q110 HydrophobicContact CG-CG 3.88Å; P107-Q110 PolarHBondContact O-N 3.37Å; P108-Q110 PolarHBondContact O-N 2.89Å; Q110-G112 PolarHBondContact O-N 3.48Å
111	R	93.1	Very high	91.8	Very high	40 Å²	40	34.2 Å²	34.2	15%	0.151	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-57.4	136.2	168.4	-79.1	175.6	69.7	-132.1	12.2	110.3	L104 P105 P108 P115 R116 E119 E186	L104-R111 WeakPolarHBondContact O-CA 3.49Å; L104-R111 WeakPolarHBondContact O-CG 3.48Å; L104-R111 PolarHBondContact O-N 3.25Å; L104-R111 VanDerWaalsContact O-N 3.14Å; P105-R111 WeakPolarHBondContact O-CD 3.31Å; P108-R111 PolarHBondContact O-N 2.84Å; R111-P115 HydrophobicContact CB-CG 4.17Å; R111-R116 PolarHBondContact O-NE 3.2Å; R111-R116 PolarHBondContact O-NH2 2.88Å; R111-E119 IonicContact CZ-OE1 3.72Å; R111-E119 IonicContact NH1-OE1 3.73Å; R111-E119 PolarHBondContact NH1-OE1 2.89Å; R111-E119 IonicContact NH1-OE2 2.63Å; R111-E119 IonicContact NH2-OE1 2.65Å; R111-E119 PolarHBondContact NH2-OE1 3.39Å; R111-E119 VanDerWaalsContact NH2-OE1 3.09Å; R111-E186 IonicContact CZ-OE1 2.62Å; R111-E186 IonicContact NH2-OE1 2.73Å; R111-E186 PolarHBondContact NH2-OE1 3.17Å
112	G	94.8	Very high	91.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.193	C	C	.	.			trans	-73	-179.4	-171.1	0	0	0	0	0	115	T100 M101 Q102 Q110 I114 P115 R116	T100-G112 WeakPolarHBondContact O-CA 3.42Å; M101-G112 CarbonylContact O-C 3.57Å; M101-G112 WeakPolarHBondContact O-CA 3.34Å; Q102-G112 VanDerWaalsContact O-CA 3.28Å; Q102-G112 WeakPolarHBondContact O-CA 3.41Å; Q102-G112 PolarHBondContact O-N 2.99Å; Q110-G112 PolarHBondContact O-N 3.48Å; G112-I114 VanDerWaalsContact C-N 3.32Å; G112-I114 PolarHBondContact O-N 3.17Å; G112-P115 WeakPolarHBondContact O-CD 3.34Å; G112-P115 WeakPolarHBondContact O-CG 3.46Å; G112-R116 VanDerWaalsContact O-CG 3.32Å; G112-R116 WeakPolarHBondContact O-CG 3.32Å; G112-R116 PolarHBondContact O-N 3.37Å
113	I	96.4	Very high	91.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-38	175.9	-66.7	173.9	0	0	0	111.6	T64 Y68 A72 I87 T100 M101 R116 A117 L238 V309	T64-I113 HydrophobicContact CG2-CG1 4.47Å; Y68-I113 HydrophobicContact CD2-CB 4.41Å; Y68-I113 HydrophobicContact CD2-CG1 4.37Å; Y68-I113 HydrophobicContact CD2-CG2 4.17Å; Y68-I113 HydrophobicContact CE2-CG2 4.3Å; A72-I113 HydrophobicContact CB-CG2 4.48Å; I87-I113 HydrophobicContact CD1-CG2 3.63Å; I87-I113 HydrophobicContact CG2-CD1 4.19Å; I87-I113 HydrophobicContact CG2-CG2 4.35Å; T100-I113 HydrophobicContact CG2-CD1 3.91Å; T100-I113 HydrophobicContact CG2-CG1 4.45Å; T100-I113 WeakPolarHBondContact O-CG1 3.41Å; T100-I113 PolarHBondContact O-N 2.94Å; M101-I113 PolarHBondContact O-N 3.47Å; M101-I113 VanDerWaalsContact O-N 3.07Å; M101-I113 HydrophobicContact SD-CD1 4.37Å; I113-R116 PolarHBondContact O-N 3.47Å; I113-A117 WeakPolarHBondContact O-CB 3.42Å; I113-A117 PolarHBondContact O-N 3.25Å; I113-L238 HydrophobicContact CG2-CD2 4.33Å; I113-V309 HydrophobicContact CD1-CG2 4.26Å
114	I	95.8	Very high	91.4	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.051	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-58.5	-178	-61.4	169.4	0	0	0	112.2	M101 G112 R116 A117 F118 M189 L238	M101-I114 HydrophobicContact CB-CD1 3.89Å; M101-I114 HydrophobicContact CB-CG1 4.3Å; M101-I114 HydrophobicContact CE-CD1 4.47Å; M101-I114 HydrophobicContact CE-CG1 4.23Å; M101-I114 WeakPolarHBondContact O-CB 3.37Å; M101-I114 VanDerWaalsContact O-CG1 3.28Å; M101-I114 WeakPolarHBondContact O-CG1 3.49Å; M101-I114 PolarHBondContact O-N 2.78Å; G112-I114 VanDerWaalsContact C-N 3.32Å; G112-I114 PolarHBondContact O-N 3.17Å; I114-R116 VanDerWaalsContact C-N 3.27Å; I114-R116 PolarHBondContact O-N 2.8Å; I114-A117 WeakPolarHBondContact O-CB 3.42Å; I114-A117 PolarHBondContact O-N 3.35Å; I114-A117 VanDerWaalsContact O-N 3.09Å; I114-F118 HydrophobicContact CG2-CE1 3.75Å; I114-F118 HydrophobicContact CG2-CE2 3.79Å; I114-F118 HydrophobicContact CG2-CZ 3.31Å; I114-F118 WeakPolarHBondContact O-CG 3.29Å; I114-F118 PolarHBondContact O-N 2.92Å; I114-F118 VanDerWaalsContact O-N 3.08Å; I114-M189 HydrophobicContact CB-SD 4.22Å; I114-M189 HydrophobicContact CG2-SD 3.52Å; I114-M189 VanDerWaalsContact CG2-SD 3.52Å; I114-L238 HydrophobicContact CB-CD1 4.32Å; I114-L238 HydrophobicContact CD1-CB 4.45Å; I114-L238 HydrophobicContact CG1-CB 3.96Å; I114-L238 HydrophobicContact CG1-CD1 4Å; I114-L238 HydrophobicContact CG1-CG 4.44Å; I114-L238 HydrophobicContact CG2-CD1 4.13Å
115	P	94.9	Very high	91.3	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-32.3	178.8	22.5	-33.3	0	0	0	113	R111 G112 F118 E119	R111-P115 HydrophobicContact CB-CG 4.17Å; G112-P115 WeakPolarHBondContact O-CD 3.34Å; G112-P115 WeakPolarHBondContact O-CG 3.46Å; P115-F118 WeakPolarHBondContact O-CB 3.37Å; P115-F118 PolarHBondContact O-N 3.27Å; P115-E119 PolarHBondContact O-N 3.33Å; P115-E119 VanDerWaalsContact O-N 3.1Å
116	R	95	Very high	91.4	Very high	13 Å²	13	25.4 Å²	25.4	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-69	-34.7	173.5	-68.6	179.7	-161.8	-80.5	-11.4	113.1	E65 Y68 P108 C109 R111 G112 I113 I114 F118 E119 H120	E65-R116 IonicContact OE1-NH1 3.17Å; E65-R116 IonicContact OE2-CZ 2.66Å; E65-R116 IonicContact OE2-NH1 3.63Å; E65-R116 PolarHBondContact OE2-NH1 3.43Å; E65-R116 IonicContact OE2-NH2 2.68Å; Y68-R116 HydrophobicContact CD1-CB 3.89Å; Y68-R116 HydrophobicContact CD1-CG 4.47Å; Y68-R116 HydrophobicContact CD2-CB 3.61Å; Y68-R116 HydrophobicContact CD2-CG 4.48Å; Y68-R116 HydrophobicContact CE1-CB 3.9Å; Y68-R116 HydrophobicContact CE2-CB 3.62Å; Y68-R116 HydrophobicContact CG-CB 3.76Å; Y68-R116 HydrophobicContact CG-CG 4.29Å; Y68-R116 PolarHBondContact OH-O 3.23Å; P108-R116 PolarHBondContact O-NH2 3.18Å; C109-R116 VanDerWaalsContact C-NH2 3.28Å; C109-R116 PolarHBondContact O-NH2 3.37Å; C109-R116 VanDerWaalsContact O-NH2 3.13Å; R111-R116 PolarHBondContact O-NE 3.2Å; R111-R116 PolarHBondContact O-NH2 2.88Å; G112-R116 VanDerWaalsContact O-CG 3.32Å; G112-R116 WeakPolarHBondContact O-CG 3.32Å; G112-R116 PolarHBondContact O-N 3.37Å; I113-R116 PolarHBondContact O-N 3.47Å; I114-R116 VanDerWaalsContact C-N 3.27Å; I114-R116 PolarHBondContact O-N 2.8Å; R116-F118 VanDerWaalsContact C-N 3.34Å; R116-E119 PolarHBondContact O-N 3.12Å; R116-H120 VanDerWaalsContact O-CB 3.31Å; R116-H120 WeakPolarHBondContact O-CB 3.37Å; R116-H120 PolarHBondContact O-N 3.21Å
117	A	96.3	Very high	91.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-38.7	172.7	0	0	0	0	0	111.3	Y68 V76 I113 I114 H120 V121 L236 L238	Y68-A117 HydrophobicContact CE2-CB 4.45Å; Y68-A117 WeakPolarHBondContact OH-CA 3.39Å; V76-A117 HydrophobicContact CG2-CB 4.25Å; I113-A117 WeakPolarHBondContact O-CB 3.42Å; I113-A117 PolarHBondContact O-N 3.25Å; I114-A117 WeakPolarHBondContact O-CB 3.42Å; I114-A117 PolarHBondContact O-N 3.35Å; I114-A117 VanDerWaalsContact O-N 3.09Å; A117-H120 PolarHBondContact O-N 2.88Å; A117-V121 WeakPolarHBondContact O-CB 3.43Å; A117-V121 VanDerWaalsContact O-CG2 3.28Å; A117-V121 WeakPolarHBondContact O-CG2 3.48Å; A117-V121 PolarHBondContact O-N 3.5Å; A117-L236 HydrophobicContact CB-CD2 3.97Å; A117-L238 HydrophobicContact CB-CD1 4.21Å
118	F	95	Very high	90.9	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-60.3	-50.3	172.6	-56.7	-23.2	0	0	0	111.6	I114 P115 R116 H120 V121 F122 V182 C185 E186 M189 F214 I216	I114-F118 HydrophobicContact CG2-CE1 3.75Å; I114-F118 HydrophobicContact CG2-CE2 3.79Å; I114-F118 HydrophobicContact CG2-CZ 3.31Å; I114-F118 WeakPolarHBondContact O-CG 3.29Å; I114-F118 PolarHBondContact O-N 2.92Å; I114-F118 VanDerWaalsContact O-N 3.08Å; P115-F118 WeakPolarHBondContact O-CB 3.37Å; P115-F118 PolarHBondContact O-N 3.27Å; R116-F118 VanDerWaalsContact C-N 3.34Å; F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.01Å; F118-V121 PolarHBondContact O-N 2.92Å; F118-F122 VanDerWaalsContact O-CD2 3.31Å; F118-F122 WeakPolarHBondContact O-CD2 3.27Å; F118-F122 PolarHBondContact O-N 3.37Å; F118-F122 VanDerWaalsContact O-N 3.09Å; F118-V182 HydrophobicContact CB-CG1 4.07Å; F118-C185 HydrophobicContact CB-CB 4.19Å; F118-C185 HydrophobicContact CD1-CB 3.82Å; F118-C185 HydrophobicContact CD2-CB 3.54Å; F118-C185 HydrophobicContact CE1-CB 4.01Å; F118-C185 HydrophobicContact CE2-CB 3.72Å; F118-C185 HydrophobicContact CG-CB 3.59Å; F118-C185 HydrophobicContact CZ-CB 3.95Å; F118-E186 HydrophobicContact CD2-CG 3.88Å; F118-E186 HydrophobicContact CE2-CG 4.25Å; F118-M189 HydrophobicContact CE2-CB 4.05Å; F118-M189 HydrophobicContact CE2-CE 4.31Å; F118-M189 HydrophobicContact CE2-SD 3.97Å; F118-M189 HydrophobicContact CZ-CB 4.17Å; F118-M189 HydrophobicContact CZ-SD 4.31Å; F118-F214 HydrophobicContact CE1-CD1 4.14Å; F118-F214 AromaticContact CE1-CE1 3.53Å; F118-F214 HydrophobicContact CE1-CE1 3.53Å; F118-F214 AromaticContact CE1-CZ 3.86Å; F118-F214 HydrophobicContact CE1-CZ 3.86Å; F118-F214 HydrophobicContact CZ-CD1 4.34Å; F118-F214 AromaticContact CZ-CE1 3.73Å; F118-F214 HydrophobicContact CZ-CE1 3.73Å; F118-F214 HydrophobicContact CZ-CE2 4.1Å; F118-F214 AromaticContact CZ-CZ 3.59Å; F118-F214 HydrophobicContact CZ-CZ 3.59Å; F118-I216 HydrophobicContact CD1-CD1 3.7Å; F118-I216 HydrophobicContact CE1-CD1 3.83Å; F118-I216 HydrophobicContact CE1-CG1 4.37Å
119	E	93	Very high	90.2	Very high	54 Å²	54	19.7 Å²	19.7	25%	0.252	10%	0.101	S	C	.	.	H	α-helix	trans	-57.8	-45.7	176.8	-74	-175.3	179.5	0	0	112.5	R111 P115 R116 F122 E123 V182	R111-E119 IonicContact CZ-OE1 3.72Å; R111-E119 IonicContact NH1-OE1 3.73Å; R111-E119 PolarHBondContact NH1-OE1 2.89Å; R111-E119 IonicContact NH1-OE2 2.63Å; R111-E119 IonicContact NH2-OE1 2.65Å; R111-E119 PolarHBondContact NH2-OE1 3.39Å; R111-E119 VanDerWaalsContact NH2-OE1 3.09Å; P115-E119 PolarHBondContact O-N 3.33Å; P115-E119 VanDerWaalsContact O-N 3.1Å; R116-E119 PolarHBondContact O-N 3.12Å; E119-F122 PolarHBondContact O-N 3.41Å; E119-E123 WeakPolarHBondContact O-CB 3.44Å; E119-E123 PolarHBondContact O-N 3.26Å; E119-V182 HydrophobicContact CG-CG1 4.12Å; E119-V182 HydrophobicContact CG-CG2 4.36Å
120	H	93.5	Very high	89.6	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.009	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-43.4	-177.7	-174.1	-164.8	0	0	0	112	Y68 Y73 V76 E77 R116 A117 F118 F122 E123 S124	Y68-H120 HydrophobicContact CE1-CB 4.48Å; Y68-H120 WeakPolarHBondContact OH-CB 3.46Å; Y68-H120 PolarHBondContact OH-ND1 2.91Å; Y68-H120 VanDerWaalsContact OH-ND1 3.13Å; Y73-H120 AromaticContact CD2-CE1 3.29Å; Y73-H120 WeakPolarHBondContact CD2-CE1 3.36Å; Y73-H120 AromaticContact CD2-ND1 3.59Å; Y73-H120 AromaticContact CD2-NE2 3.67Å; Y73-H120 AromaticContact CE2-CD2 3.66Å; Y73-H120 AromaticContact CE2-CE1 3.24Å; Y73-H120 WeakPolarHBondContact CE2-CE1 3.33Å; Y73-H120 AromaticContact CE2-ND1 3.82Å; Y73-H120 AromaticContact CE2-NE2 3.09Å; Y73-H120 WeakPolarHBondContact CE2-NE2 3.3Å; Y73-H120 AromaticContact CG-CE1 3.75Å; Y73-H120 AromaticContact CZ-CE1 3.68Å; Y73-H120 AromaticContact CZ-NE2 3.38Å; Y73-H120 PolarHBondContact O-CE1 3.36Å; V76-H120 HydrophobicContact CG1-CB 4.17Å; V76-H120 WeakPolarHBondContact CG1-ND1 3.42Å; E77-H120 IonicContact OE2-CE1 3.68Å; E77-H120 IonicContact OE2-NE2 2.71Å; E77-H120 PolarHBondContact OE2-NE2 3.21Å; R116-H120 VanDerWaalsContact O-CB 3.31Å; R116-H120 WeakPolarHBondContact O-CB 3.37Å; R116-H120 PolarHBondContact O-N 3.21Å; A117-H120 PolarHBondContact O-N 2.88Å; F118-H120 VanDerWaalsContact C-N 3.34Å; F118-H120 PolarHBondContact O-N 3.01Å; H120-F122 PolarHBondContact O-N 3.2Å; H120-E123 PolarHBondContact O-N 3.43Å; H120-S124 WeakPolarHBondContact O-CB 3.32Å; H120-S124 PolarHBondContact O-N 2.95Å; H120-S124 PolarHBondContact O-OG 3.43Å; H120-S124 VanDerWaalsContact O-OG 3.12Å
121	V	93.6	Very high	89.3	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-50	175.5	166.5	0	0	0	0	110.7	V76 T80 A117 F118 S124 V125 V135 I218	V76-V121 HydrophobicContact CG1-CG2 3.99Å; T80-V121 HydrophobicContact CG2-CG2 4.12Å; A117-V121 WeakPolarHBondContact O-CB 3.43Å; A117-V121 VanDerWaalsContact O-CG2 3.28Å; A117-V121 WeakPolarHBondContact O-CG2 3.48Å; A117-V121 PolarHBondContact O-N 3.5Å; F118-V121 PolarHBondContact O-N 2.92Å; V121-S124 PolarHBondContact O-N 3.47Å; V121-V125 HydrophobicContact CG1-CG2 4.43Å; V121-V125 VanDerWaalsContact O-CG2 3.26Å; V121-V125 WeakPolarHBondContact O-CG2 3.37Å; V121-V125 PolarHBondContact O-N 2.96Å; V121-V135 HydrophobicContact CG1-CG1 4.48Å; V121-V135 HydrophobicContact CG1-CG2 4.46Å; V121-I218 HydrophobicContact CB-CD1 4.44Å; V121-I218 HydrophobicContact CG1-CD1 3.65Å; V121-I218 HydrophobicContact CG1-CG1 4.43Å; V121-I218 HydrophobicContact CG2-CD1 3.88Å
122	F	92.3	Very high	88.8	Confident	3 Å²	3	26.9 Å²	26.9	1%	0.013	14%	0.138	C	C	.	.	H	α-helix	trans	-72.2	-32.1	-179.7	-74.3	-69.1	0	0	0	113.5	F118 E119 H120 S124 V125 Q126 V135 V179 H180 V182	F118-F122 VanDerWaalsContact O-CD2 3.31Å; F118-F122 WeakPolarHBondContact O-CD2 3.27Å; F118-F122 PolarHBondContact O-N 3.37Å; F118-F122 VanDerWaalsContact O-N 3.09Å; E119-F122 PolarHBondContact O-N 3.41Å; H120-F122 PolarHBondContact O-N 3.2Å; F122-S124 VanDerWaalsContact C-N 3.32Å; F122-S124 PolarHBondContact O-N 2.89Å; F122-V125 PolarHBondContact O-N 3.15Å; F122-Q126 VanDerWaalsContact O-CB 3.25Å; F122-Q126 WeakPolarHBondContact O-CB 3.34Å; F122-Q126 WeakPolarHBondContact O-CG 3.47Å; F122-Q126 PolarHBondContact O-N 3.25Å; F122-V135 HydrophobicContact CE1-CG2 4.36Å; F122-V135 HydrophobicContact CZ-CB 4.44Å; F122-V135 HydrophobicContact CZ-CG1 4.35Å; F122-V179 HydrophobicContact CZ-CG2 4.44Å; F122-V179 WeakPolarHBondContact CZ-O 3.28Å; F122-H180 WeakPolarHBondContact CE1-O 3.36Å; F122-V182 HydrophobicContact CB-CG2 3.94Å; F122-V182 HydrophobicContact CD2-CB 4.44Å; F122-V182 HydrophobicContact CD2-CG2 3.76Å; F122-V182 HydrophobicContact CG-CG2 4.2Å
123	E	89	Confident	88.6	Confident	9 Å²	9	27.4 Å²	27.4	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-41	172	-175.3	168	-110.4	0	0	111	E119 H120 C127 K775 H776 R779	E119-E123 WeakPolarHBondContact O-CB 3.44Å; E119-E123 PolarHBondContact O-N 3.26Å; H120-E123 PolarHBondContact O-N 3.43Å; E123-C127 WeakPolarHBondContact O-CB 3.4Å; E123-C127 PolarHBondContact O-N 2.93Å; E123-C127 VanDerWaalsContact O-N 3.14Å; E123-C127 PolarHBondContact O-SG 3.17Å; E123-K775 WeakPolarHBondContact OE1-CD 3.23Å; E123-K775 WeakPolarHBondContact OE1-CE 3.13Å; E123-K775 IonicContact OE1-NZ 2.66Å; E123-K775 PolarHBondContact OE1-NZ 2.92Å; E123-H776 HydrophobicContact CG-CB 4.31Å; E123-R779 IonicContact OE1-NH1 3.58Å; E123-R779 PolarHBondContact OE1-NH1 2.88Å; E123-R779 WeakPolarHBondContact OE2-CD 3.24Å; E123-R779 IonicContact OE2-CZ 3.09Å; E123-R779 IonicContact OE2-NE 2.66Å; E123-R779 IonicContact OE2-NH1 3.34Å; E123-R779 PolarHBondContact OE2-NH1 3.32Å
124	S	87.6	Confident	88.2	Confident	14 Å²	14	28.3 Å²	28.3	10%	0.098	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-47.3	175	-62.3	0	0	0	0	112.6	H120 V121 F122 Q126 C127 A128 H776	H120-S124 WeakPolarHBondContact O-CB 3.32Å; H120-S124 PolarHBondContact O-N 2.95Å; H120-S124 PolarHBondContact O-OG 3.43Å; H120-S124 VanDerWaalsContact O-OG 3.12Å; V121-S124 PolarHBondContact O-N 3.47Å; F122-S124 VanDerWaalsContact C-N 3.32Å; F122-S124 PolarHBondContact O-N 2.89Å; S124-Q126 VanDerWaalsContact C-N 3.3Å; S124-Q126 PolarHBondContact O-N 2.61Å; S124-C127 PolarHBondContact O-N 2.84Å; S124-A128 PolarHBondContact O-N 2.82Å; S124-H776 PolarHBondContact OG-NE2 3.2Å; S124-H776 VanDerWaalsContact OG-NE2 3.11Å
125	V	86.9	Confident	88.1	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.3	-37.9	176.8	167.7	0	0	0	0	112.2	V121 F122 F133 V135 V762	V121-V125 HydrophobicContact CG1-CG2 4.43Å; V121-V125 VanDerWaalsContact O-CG2 3.26Å; V121-V125 WeakPolarHBondContact O-CG2 3.37Å; V121-V125 PolarHBondContact O-N 2.96Å; F122-V125 PolarHBondContact O-N 3.15Å; V125-F133 HydrophobicContact CB-CD2 4.24Å; V125-F133 HydrophobicContact CB-CG 4.36Å; V125-F133 HydrophobicContact CG1-CB 4.03Å; V125-F133 HydrophobicContact CG1-CD2 3.81Å; V125-F133 HydrophobicContact CG1-CG 4.04Å; V125-F133 HydrophobicContact CG2-CB 4.01Å; V125-F133 HydrophobicContact CG2-CD1 3.83Å; V125-F133 HydrophobicContact CG2-CD2 4.08Å; V125-F133 HydrophobicContact CG2-CE1 4.28Å; V125-F133 HydrophobicContact CG2-CG 3.72Å; V125-V135 HydrophobicContact CG2-CG2 4.49Å; V125-V762 HydrophobicContact CG1-CB 4.37Å; V125-V762 HydrophobicContact CG1-CG1 4.04Å
126	Q	85.1	Confident	88.1	Confident	41 Å²	41	31.5 Å²	31.5	19%	0.192	16%	0.156	C	C	.	.	H	α-helix	trans	-76.2	-29.9	178.6	-74.9	175.6	1.7	0	0	113.5	F122 S124 Q766 A767	F122-Q126 VanDerWaalsContact O-CB 3.25Å; F122-Q126 WeakPolarHBondContact O-CB 3.34Å; F122-Q126 WeakPolarHBondContact O-CG 3.47Å; F122-Q126 PolarHBondContact O-N 3.25Å; S124-Q126 VanDerWaalsContact C-N 3.3Å; S124-Q126 PolarHBondContact O-N 2.61Å; Q126-Q766 HydrophobicContact CB-CB 4.35Å; Q126-Q766 CarbonylContact O-C 3.58Å; Q126-Q766 VanDerWaalsContact O-C 3.29Å; Q126-A767 WeakPolarHBondContact O-CA 3.05Å; Q126-A767 PolarHBondContact O-N 2.87Å; Q126-A767 VanDerWaalsContact O-N 3.08Å
127	C	81.3	Confident	88.1	Confident	14 Å²	14	30.9 Å²	30.9	10%	0.095	15%	0.154	C	C	.	.	H	α-helix	trans	-80.2	-23.2	-179.4	-74.8	0	0	0	0	114	E123 S124 R773	E123-C127 WeakPolarHBondContact O-CB 3.4Å; E123-C127 PolarHBondContact O-N 2.93Å; E123-C127 VanDerWaalsContact O-N 3.14Å; E123-C127 PolarHBondContact O-SG 3.17Å; S124-C127 PolarHBondContact O-N 2.84Å; C127-R773 HydrophobicContact CB-CG 4.35Å; C127-R773 PolarHBondContact O-NE 2.86Å; C127-R773 PolarHBondContact O-NH2 3.18Å
128	A	81.4	Confident	88.1	Confident	25 Å²	25	31.1 Å²	31.1	21%	0.207	16%	0.155	C	C	.	.			trans	-75.2	150.1	-171.7	0	0	0	0	0	113.7	S124 T131 F133	S124-A128 PolarHBondContact O-N 2.82Å; A128-T131 VanDerWaalsContact CB-OG1 3.25Å; A128-T131 WeakPolarHBondContact CB-OG1 3.26Å; A128-F133 HydrophobicContact CB-CE2 3.92Å; A128-F133 HydrophobicContact CB-CZ 4.04Å
129	E	73.6	Confident	88.2	Confident	111 Å²	111	31.4 Å²	31.4	52%	0.519	16%	0.157	S	C	.	.	S	Bend	trans	-110	155.4	176.1	-85.7	166	-163.2	0	0	110.4	T131 A767 R773	E129-T131 PolarHBondContact O-N 3.36Å; E129-T131 PolarHBondContact O-OG1 2.93Å; E129-A767 HydrophobicContact CG-CB 4.13Å; E129-R773 VanDerWaalsContact CG-NH2 3.3Å; E129-R773 IonicContact OE1-CZ 3.75Å; E129-R773 IonicContact OE1-NH1 3.52Å; E129-R773 PolarHBondContact OE1-NH1 3.49Å; E129-R773 IonicContact OE1-NH2 3.47Å; E129-R773 PolarHBondContact OE1-NH2 3.43Å
130	N	74.1	Confident	88.3	Confident	134 Å²	134	29.2 Å²	29.2	72%	0.717	15%	0.146	S	C	*	.	S	Bend	trans	50.3	27.2	174.8	-55.7	-12.9	0	0	0	114.6	V223	N130-V223 PolarHBondContact O-N 2.64Å; N130-V223 VanDerWaalsContact O-N 3.16Å
131	T	82.1	Confident	88.2	Confident	30 Å²	30	30.1 Å²	30.1	18%	0.184	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.8	-173.5	35.6	0	0	0	0	109.9	A128 E129 Y221 A222	A128-T131 VanDerWaalsContact CB-OG1 3.25Å; A128-T131 WeakPolarHBondContact CB-OG1 3.26Å; E129-T131 PolarHBondContact O-N 3.36Å; E129-T131 PolarHBondContact O-OG1 2.93Å; T131-Y221 WeakPolarHBondContact CA-O 3.49Å; T131-A222 HydrophobicContact CG2-CB 3.72Å
132	K	83.9	Confident	88.2	Confident	98 Å²	98	30.2 Å²	30.2	43%	0.426	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.7	179.1	-92.1	-177	164.9	-172.8	0	107.8	Y221 E758 V761	K132-Y221 PolarHBondContact N-O 2.65Å; K132-Y221 PolarHBondContact O-N 2.88Å; K132-E758 IonicContact NZ-OE1 3.88Å; K132-E758 PolarHBondContact NZ-OE1 3.09Å; K132-V761 HydrophobicContact CB-CG1 3.47Å; K132-V761 VanDerWaalsContact CB-CG1 3.47Å; K132-V761 HydrophobicContact CD-CG1 3.92Å; K132-V761 HydrophobicContact CG-CG1 3.54Å
133	F	89.3	Confident	87.9	Confident	12 Å²	12	32.6 Å²	32.6	5%	0.053	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.3	-177.8	-58.1	-103.6	0	0	0	111.5	V125 A128 I218 E219 I220 V761 V762	V125-F133 HydrophobicContact CB-CD2 4.24Å; V125-F133 HydrophobicContact CB-CG 4.36Å; V125-F133 HydrophobicContact CG1-CB 4.03Å; V125-F133 HydrophobicContact CG1-CD2 3.81Å; V125-F133 HydrophobicContact CG1-CG 4.04Å; V125-F133 HydrophobicContact CG2-CB 4.01Å; V125-F133 HydrophobicContact CG2-CD1 3.83Å; V125-F133 HydrophobicContact CG2-CD2 4.08Å; V125-F133 HydrophobicContact CG2-CE1 4.28Å; V125-F133 HydrophobicContact CG2-CG 3.72Å; A128-F133 HydrophobicContact CB-CE2 3.92Å; A128-F133 HydrophobicContact CB-CZ 4.04Å; F133-I218 HydrophobicContact CD1-CG2 3.93Å; F133-E219 CarbonylContact C-O 3.56Å; F133-E219 VanDerWaalsContact CA-O 3.29Å; F133-E219 WeakPolarHBondContact CA-O 3.29Å; F133-I220 HydrophobicContact CD1-CB 4.36Å; F133-I220 HydrophobicContact CD1-CG1 3.89Å; F133-I220 HydrophobicContact CD1-CG2 4.17Å; F133-I220 HydrophobicContact CE1-CB 4.35Å; F133-I220 HydrophobicContact CE1-CD1 4.42Å; F133-I220 HydrophobicContact CE1-CG1 3.93Å; F133-I220 HydrophobicContact CE1-CG2 3.77Å; F133-I220 HydrophobicContact CZ-CG2 4.31Å; F133-V761 WeakPolarHBondContact O-CA 3.38Å; F133-V762 WeakPolarHBondContact CA-O 3.4Å; F133-V762 WeakPolarHBondContact CB-O 3.35Å; F133-V762 PolarHBondContact N-O 3.24Å; F133-V762 PolarHBondContact O-N 2.92Å
134	L	89	Confident	87.7	Confident	18 Å²	18	35.1 Å²	35.1	9%	0.094	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	110.1	167.7	178.8	65.9	0	0	0	108.5	R136 T178 E219 Y221 Q760	L134-R136 HydrophobicContact CD1-CG 4.49Å; L134-R136 HydrophobicContact CG-CG 4.09Å; L134-T178 HydrophobicContact CD1-CG2 3.57Å; L134-E219 HydrophobicContact CB-CB 4.28Å; L134-E219 PolarHBondContact N-O 3.09Å; L134-E219 PolarHBondContact O-N 2.81Å; L134-Y221 HydrophobicContact CB-CE2 4.5Å; L134-Q760 HydrophobicContact CD1-CB 4.01Å; L134-Q760 WeakPolarHBondContact CD1-O 3.39Å
135	V	93.5	Very high	87.8	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.024	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.8	-178.9	-170.8	0	0	0	0	109.3	V121 F122 V125 V179 I216 N217 I218	V121-V135 HydrophobicContact CG1-CG1 4.48Å; V121-V135 HydrophobicContact CG1-CG2 4.46Å; F122-V135 HydrophobicContact CE1-CG2 4.36Å; F122-V135 HydrophobicContact CZ-CB 4.44Å; F122-V135 HydrophobicContact CZ-CG1 4.35Å; V125-V135 HydrophobicContact CG2-CG2 4.49Å; V135-V179 HydrophobicContact CB-CG2 4.14Å; V135-V179 HydrophobicContact CG1-CG2 3.77Å; V135-V179 WeakPolarHBondContact O-CG2 3.22Å; V135-V179 PolarHBondContact O-N 2.97Å; V135-I216 HydrophobicContact CG1-CG2 3.55Å; V135-N217 WeakPolarHBondContact CA-O 3.45Å; V135-I218 HydrophobicContact CG1-CG1 4.43Å; V135-I218 HydrophobicContact CG2-CG2 4.48Å
136	R	94	Very high	88	Confident	78 Å²	78	37.1 Å²	37.1	29%	0.294	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127	-177.3	-55.2	-167.9	-74.7	165	-6.2	110.5	L134 M176 H177 N217 E219	L134-R136 HydrophobicContact CD1-CG 4.49Å; L134-R136 HydrophobicContact CG-CG 4.09Å; R136-M176 HydrophobicContact CB-CE 3.67Å; R136-H177 CarbonylContact C-O 3.52Å; R136-H177 WeakPolarHBondContact CA-O 3.31Å; R136-N217 PolarHBondContact N-O 3.31Å; R136-N217 PolarHBondContact O-N 2.91Å; R136-E219 IonicContact CZ-OE1 3.91Å; R136-E219 VanDerWaalsContact CZ-OE1 3.28Å; R136-E219 IonicContact NE-OE1 2.87Å; R136-E219 PolarHBondContact NE-OE1 3.4Å; R136-E219 VanDerWaalsContact NE-OE1 3.14Å; R136-E219 IonicContact NH2-OE1 3.96Å; R136-E219 PolarHBondContact NH2-OE1 3.22Å; R136-E219 IonicContact NH2-OE2 3.64Å
137	A	96.4	Very high	88.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.8	179.8	0	0	0	0	0	111.8	H177 V179 V188 F214 T215	A137-H177 PolarHBondContact N-O 2.96Å; A137-H177 PolarHBondContact O-N 3.4Å; A137-V179 HydrophobicContact CB-CG1 4.32Å; A137-V179 HydrophobicContact CB-CG2 4.21Å; A137-V188 HydrophobicContact CB-CG1 4.2Å; A137-F214 HydrophobicContact CB-CE1 3.98Å; A137-F214 HydrophobicContact CB-CZ 3.87Å; A137-T215 WeakPolarHBondContact CA-O 3.43Å
138	S	95.9	Very high	88.9	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.3	163.8	58.3	0	0	0	0	110.1	S175 T215	S138-S175 WeakPolarHBondContact CB-O 3.4Å; S138-T215 PolarHBondContact N-O 3.46Å; S138-T215 PolarHBondContact O-N 2.91Å
139	Y	96.3	Very high	89.5	Confident	7 Å²	7	34.8 Å²	34.8	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	118.7	-177.8	-169.7	-165.5	0	0	0	109.5	L150 I213 F214	Y139-L150 HydrophobicContact CD1-CB 4.33Å; Y139-L150 HydrophobicContact CD1-CD1 4.03Å; Y139-L150 HydrophobicContact CD2-CD1 3.89Å; Y139-L150 HydrophobicContact CE1-CD1 3.96Å; Y139-L150 HydrophobicContact CE2-CD1 3.85Å; Y139-L150 HydrophobicContact CG-CB 4.35Å; Y139-L150 HydrophobicContact CG-CD1 3.98Å; Y139-L150 WeakPolarHBondContact O-CB 3.49Å; Y139-L150 PolarHBondContact O-N 3.31Å; Y139-I213 WeakPolarHBondContact CD2-O 3.45Å; Y139-F214 AromaticContact CD1-CD2 3.68Å; Y139-F214 HydrophobicContact CD1-CD2 3.68Å; Y139-F214 HydrophobicContact CD1-CE2 4.18Å; Y139-F214 HydrophobicContact CD2-CB 3.75Å; Y139-F214 AromaticContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CG 4.24Å; Y139-F214 HydrophobicContact CE1-CD2 4.22Å; Y139-F214 HydrophobicContact CE2-CB 4.04Å; Y139-F214 HydrophobicContact CE2-CD2 4.34Å; Y139-F214 HydrophobicContact CG-CB 4.28Å; Y139-F214 AromaticContact CG-CD2 3.5Å; Y139-F214 HydrophobicContact CG-CD2 3.5Å; Y139-F214 HydrophobicContact CG-CE2 4.24Å; Y139-F214 HydrophobicContact CG-CG 4.27Å
140	L	94.7	Very high	90.4	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.6	-179.4	67.6	79.4	0	0	0	111.4	I142 V147 H148 V171 L174 S212 I213 L295	L140-I142 HydrophobicContact CD1-CG1 3.96Å; L140-V147 HydrophobicContact CD1-CG1 4.38Å; L140-V147 HydrophobicContact CD2-CG1 4.26Å; L140-H148 CarbonylContact C-O 3.27Å; L140-H148 VanDerWaalsContact CA-O 3.24Å; L140-H148 WeakPolarHBondContact CA-O 3.39Å; L140-H148 VanDerWaalsContact CB-O 3.31Å; L140-H148 WeakPolarHBondContact CB-O 3.43Å; L140-V171 HydrophobicContact CD2-CG2 3.78Å; L140-L174 HydrophobicContact CB-CD1 4Å; L140-L174 HydrophobicContact CD2-CD1 4.38Å; L140-L174 HydrophobicContact CD2-CD2 4.07Å; L140-S212 CarbonylContact O-C 3.3Å; L140-S212 WeakPolarHBondContact O-CA 3.36Å; L140-I213 HydrophobicContact CD1-CB 3.82Å; L140-I213 HydrophobicContact CD1-CD1 4.19Å; L140-I213 HydrophobicContact CD1-CG1 4.03Å; L140-I213 HydrophobicContact CG-CB 4.08Å; L140-I213 PolarHBondContact N-O 3.09Å; L140-I213 PolarHBondContact O-N 3.46Å; L140-L295 HydrophobicContact CD2-CD1 4.49Å
141	E	92.9	Very high	91.4	Very high	21 Å²	21	24 Å²	24	10%	0.098	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.5	159.9	71.2	179.2	156	0	0	113.1	V147 H148 L150 R196 S210 H211	E141-V147 WeakPolarHBondContact O-CA 3.34Å; E141-H148 HydrophobicContact CG-CB 4.13Å; E141-H148 PolarHBondContact N-O 3.1Å; E141-H148 PolarHBondContact O-N 2.73Å; E141-L150 HydrophobicContact CB-CD1 4.22Å; E141-L150 HydrophobicContact CB-CD2 4.41Å; E141-L150 HydrophobicContact CB-CG 4.4Å; E141-L150 HydrophobicContact CG-CD2 3.93Å; E141-L150 HydrophobicContact CG-CG 4.37Å; E141-R196 WeakPolarHBondContact OE2-CG 3.38Å; E141-R196 IonicContact OE2-NE 2.8Å; E141-S210 WeakPolarHBondContact OE2-CB 3.25Å; E141-S210 PolarHBondContact OE2-OG 3.45Å; E141-H211 CarbonylContact C-O 3.6Å; E141-H211 WeakPolarHBondContact CA-O 3.46Å
142	I	91.8	Very high	91.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.9	170.1	-48.3	177.4	0	0	0	106.5	L140 D146 S210 H211 I213 K291 L292 L295	L140-I142 HydrophobicContact CD1-CG1 3.96Å; I142-D146 VanDerWaalsContact CA-O 3.32Å; I142-D146 WeakPolarHBondContact CA-O 3.36Å; I142-S210 WeakPolarHBondContact O-CA 3.44Å; I142-S210 WeakPolarHBondContact O-CB 3.45Å; I142-H211 HydrophobicContact CB-CB 4.33Å; I142-H211 PolarHBondContact N-O 2.94Å; I142-H211 PolarHBondContact O-N 3.01Å; I142-I213 HydrophobicContact CD1-CD1 4.2Å; I142-K291 HydrophobicContact CG2-CB 4.03Å; I142-L292 HydrophobicContact CD1-CB 3.97Å; I142-L292 HydrophobicContact CD1-CD1 3.96Å; I142-L295 HydrophobicContact CD1-CD1 3.74Å; I142-L295 HydrophobicContact CG1-CD1 4.34Å
143	Y	87.1	Confident	91.8	Very high	54 Å²	54	24.7 Å²	24.7	21%	0.212	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.8	-178.7	-178.7	-112.3	0	0	0	108.9	E145 D146 R209 E259	Y143-E145 PolarHBondContact O-N 3.43Å; Y143-D146 PolarHBondContact N-O 3.02Å; Y143-D146 WeakPolarHBondContact O-CA 3.37Å; Y143-D146 WeakPolarHBondContact O-CB 3.46Å; Y143-D146 PolarHBondContact O-N 3.38Å; Y143-R209 WeakPolarHBondContact CD2-O 3.43Å; Y143-R209 HydrophobicContact CE2-CB 4.29Å; Y143-E259 HydrophobicContact CE2-CG 4.04Å; Y143-E259 VanDerWaalsContact CE2-OE1 3.28Å; Y143-E259 WeakPolarHBondContact CE2-OE1 3.49Å; Y143-E259 VanDerWaalsContact OH-CD 3.23Å; Y143-E259 PolarHBondContact OH-OE1 3.12Å
144	N	84.3	Confident	91.6	Very high	62 Å²	62	28 Å²	28	33%	0.332	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	26.6	177.8	-173.4	64.5	0	0	0	114.9	D146	N144-D146 PolarHBondContact O-N 2.92Å
145	E	90	Very high	91.4	Very high	28 Å²	28	29.4 Å²	29.4	13%	0.131	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	12.6	-169.9	-70	-70.3	114.3	0	0	115.9	Y143 K262 S266 S290 K291	Y143-E145 PolarHBondContact O-N 3.43Å; E145-K262 HydrophobicContact CG-CD 4.25Å; E145-S266 WeakPolarHBondContact OE1-CB 3.42Å; E145-S290 VanDerWaalsContact OE2-CA 3.24Å; E145-S290 WeakPolarHBondContact OE2-CA 3.45Å; E145-K291 WeakPolarHBondContact O-CE 3.46Å; E145-K291 WeakPolarHBondContact O-CG 3.28Å; E145-K291 PolarHBondContact O-NZ 3.21Å; E145-K291 WeakPolarHBondContact OE2-CG 3.45Å; E145-K291 PolarHBondContact OE2-N 2.98Å
146	D	90.6	Very high	90.8	Very high	28 Å²	28	36.4 Å²	36.4	15%	0.15	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	158.4	160.8	-65.3	-55.5	0	0	0	110.7	I142 Y143 N144 R158	I142-D146 VanDerWaalsContact CA-O 3.32Å; I142-D146 WeakPolarHBondContact CA-O 3.36Å; Y143-D146 PolarHBondContact N-O 3.02Å; Y143-D146 WeakPolarHBondContact O-CA 3.37Å; Y143-D146 WeakPolarHBondContact O-CB 3.46Å; Y143-D146 PolarHBondContact O-N 3.38Å; N144-D146 PolarHBondContact O-N 2.92Å; D146-R158 HydrophobicContact CB-CG 4.2Å; D146-R158 WeakPolarHBondContact OD1-CD 3.37Å; D146-R158 IonicContact OD1-CZ 2.83Å; D146-R158 IonicContact OD1-NE 3.73Å; D146-R158 PolarHBondContact OD1-NE 3.15Å; D146-R158 VanDerWaalsContact OD1-NE 3.11Å; D146-R158 IonicContact OD1-NH2 3.28Å; D146-R158 IonicContact OD2-CZ 2.79Å; D146-R158 IonicContact OD2-NE 2.69Å; D146-R158 PolarHBondContact OD2-NE 3.19Å; D146-R158 IonicContact OD2-NH2 3.46Å; D146-R158 PolarHBondContact OD2-NH2 3.48Å
147	V	92.9	Very high	90.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.2	176.7	-178.6	0	0	0	0	108.4	L140 E141 L159 L161 V171 K291	L140-V147 HydrophobicContact CD1-CG1 4.38Å; L140-V147 HydrophobicContact CD2-CG1 4.26Å; E141-V147 WeakPolarHBondContact O-CA 3.34Å; V147-L159 HydrophobicContact CG1-CB 4.47Å; V147-L159 PolarHBondContact O-N 2.67Å; V147-L161 HydrophobicContact CG2-CD2 4.37Å; V147-L161 HydrophobicContact CG2-CG 4.49Å; V147-V171 HydrophobicContact CG1-CG1 4.18Å; V147-V171 HydrophobicContact CG1-CG2 4.45Å; V147-K291 HydrophobicContact CG2-CB 4.21Å; V147-K291 HydrophobicContact CG2-CG 4.27Å
148	H	92.5	Very high	90.3	Very high	21 Å²	21	45.7 Å²	45.7	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.8	-177.2	-66.6	-66	0	0	0	110.8	L140 E141 K156 Q157	L140-H148 CarbonylContact C-O 3.27Å; L140-H148 VanDerWaalsContact CA-O 3.24Å; L140-H148 WeakPolarHBondContact CA-O 3.39Å; L140-H148 VanDerWaalsContact CB-O 3.31Å; L140-H148 WeakPolarHBondContact CB-O 3.43Å; E141-H148 HydrophobicContact CG-CB 4.13Å; E141-H148 PolarHBondContact N-O 3.1Å; E141-H148 PolarHBondContact O-N 2.73Å; H148-K156 PolarHBondContact CE1-O 3.31Å; H148-K156 VanDerWaalsContact CE1-O 3.29Å; H148-K156 PolarHBondContact ND1-O 3.18Å; H148-Q157 PolarHBondContact ND1-O 3.01Å
149	D	94.8	Very high	90.2	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121	174.5	-173.4	-11	0	0	0	109.7	L151 G152 L159 L174 S175	D149-L151 VanDerWaalsContact C-N 3.27Å; D149-L151 PolarHBondContact O-N 3.37Å; D149-L151 WeakPolarHBondContact OD1-CA 3.3Å; D149-L151 PolarHBondContact OD1-N 3.3Å; D149-G152 VanDerWaalsContact CG-N 3.26Å; D149-G152 PolarHBondContact OD1-N 3.33Å; D149-G152 VanDerWaalsContact OD1-N 3.14Å; D149-L159 HydrophobicContact CB-CD1 3.91Å; D149-L174 HydrophobicContact CB-CD1 4.09Å; D149-S175 PolarHBondContact OD1-OG 3.02Å; D149-S175 WeakPolarHBondContact OD2-CB 3.37Å; D149-S175 PolarHBondContact OD2-N 3.04Å; D149-S175 PolarHBondContact OD2-OG 2.89Å
150	L	93.1	Very high	90	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.265	C	S	.	.	S	Bend	trans	-81.2	-8	179.6	-62.8	175.8	0	0	0	112.5	Y139 E141 G192 N195 R196	Y139-L150 HydrophobicContact CD1-CB 4.33Å; Y139-L150 HydrophobicContact CD1-CD1 4.03Å; Y139-L150 HydrophobicContact CD2-CD1 3.89Å; Y139-L150 HydrophobicContact CE1-CD1 3.96Å; Y139-L150 HydrophobicContact CE2-CD1 3.85Å; Y139-L150 HydrophobicContact CG-CB 4.35Å; Y139-L150 HydrophobicContact CG-CD1 3.98Å; Y139-L150 WeakPolarHBondContact O-CB 3.49Å; Y139-L150 PolarHBondContact O-N 3.31Å; E141-L150 HydrophobicContact CB-CD1 4.22Å; E141-L150 HydrophobicContact CB-CD2 4.41Å; E141-L150 HydrophobicContact CB-CG 4.4Å; E141-L150 HydrophobicContact CG-CD2 3.93Å; E141-L150 HydrophobicContact CG-CG 4.37Å; L150-G192 WeakPolarHBondContact O-CA 3.48Å; L150-N195 PolarHBondContact O-ND2 2.83Å; L150-R196 HydrophobicContact CD1-CB 4.25Å; L150-R196 HydrophobicContact CD1-CG 4.42Å; L150-R196 HydrophobicContact CD2-CB 3.99Å; L150-R196 HydrophobicContact CD2-CG 4.4Å
151	L	93.8	Very high	89.9	Confident	18 Å²	18	51.8 Å²	51.8	9%	0.094	27%	0.268	C	S	.	.	S	Bend	trans	-118.8	-1	-179.7	-47.2	174.6	0	0	0	113	D149 H177 V188	D149-L151 VanDerWaalsContact C-N 3.27Å; D149-L151 PolarHBondContact O-N 3.37Å; D149-L151 WeakPolarHBondContact OD1-CA 3.3Å; D149-L151 PolarHBondContact OD1-N 3.3Å; L151-H177 VanDerWaalsContact CB-NE2 3.32Å; L151-H177 WeakPolarHBondContact CB-NE2 3.24Å; L151-H177 PolarHBondContact O-NE2 3.17Å; L151-V188 HydrophobicContact CD1-CG1 3.46Å; L151-V188 VanDerWaalsContact CD1-CG1 3.46Å; L151-V188 HydrophobicContact CD2-CG1 3.77Å; L151-V188 VanDerWaalsContact CD2-O 3.31Å; L151-V188 WeakPolarHBondContact CD2-O 3.43Å; L151-V188 HydrophobicContact CG-CG1 4.27Å
152	G	88.6	Confident	89.9	Confident	21 Å²	21	55 Å²	55	22%	0.216	28%	0.281	C	S	.	.	S	Bend	trans	-74.4	163	177.5	0	0	0	0	0	112.9	D149 D154	D149-G152 VanDerWaalsContact CG-N 3.26Å; D149-G152 PolarHBondContact OD1-N 3.33Å; D149-G152 VanDerWaalsContact OD1-N 3.14Å; G152-D154 VanDerWaalsContact C-N 3.34Å
153	A	85.5	Confident	89.8	Confident	121 Å²	121	59.1 Å²	59.1	100%	1	30%	0.3	S	S	*	.	S	Bend	trans	-68.8	-30.9	178.2	0	0	0	0	0	113.3
154	D	86.3	Confident	89.6	Confident	82 Å²	82	60 Å²	60	44%	0.439	31%	0.306	S	S	.	.			trans	-119	103.7	166.9	177.1	18.9	0	0	0	109.9	G152 K156 Q157	G152-D154 VanDerWaalsContact C-N 3.34Å; D154-K156 PolarHBondContact O-N 2.71Å; D154-K156 WeakPolarHBondContact OD1-CB 3.47Å; D154-K156 PolarHBondContact OD1-N 2.89Å; D154-Q157 HydrophobicContact CB-CB 4.27Å; D154-Q157 WeakPolarHBondContact O-CB 3.35Å; D154-Q157 PolarHBondContact O-N 3.36Å; D154-Q157 PolarHBondContact OD2-N 2.9Å
155	T	83.4	Confident	89.4	Confident	47 Å²	47	63.4 Å²	63.4	29%	0.288	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.8	178.6	56.3	0	0	0	0	113.4	N195	T155-N195 HydrophobicContact CG2-CB 4Å
156	K	81.7	Confident	88.6	Confident	150 Å²	150	69.9 Å²	69.9	65%	0.652	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.9	175	-58.3	174.3	-176.8	171.3	0	112.4	H148 D154 R158	H148-K156 PolarHBondContact CE1-O 3.31Å; H148-K156 VanDerWaalsContact CE1-O 3.29Å; H148-K156 PolarHBondContact ND1-O 3.18Å; D154-K156 PolarHBondContact O-N 2.71Å; D154-K156 WeakPolarHBondContact OD1-CB 3.47Å; D154-K156 PolarHBondContact OD1-N 2.89Å; K156-R158 PolarHBondContact O-N 3.03Å
157	Q	87.2	Confident	87.8	Confident	114 Å²	114	76.2 Å²	76.2	53%	0.533	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-61	132.3	178	-167.6	175.2	26.4	0	0	110	H148 D154 L159	H148-Q157 PolarHBondContact ND1-O 3.01Å; D154-Q157 HydrophobicContact CB-CB 4.27Å; D154-Q157 WeakPolarHBondContact O-CB 3.35Å; D154-Q157 PolarHBondContact O-N 3.36Å; D154-Q157 PolarHBondContact OD2-N 2.9Å; Q157-L159 HydrophobicContact CG-CD2 4.28Å
158	R	91.7	Very high	87.4	Confident	160 Å²	160	77 Å²	77	60%	0.604	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-87.2	124.2	174.6	-70.4	176.1	163.1	163.3	-14.5	109.6	D146 K156	D146-R158 HydrophobicContact CB-CG 4.2Å; D146-R158 WeakPolarHBondContact OD1-CD 3.37Å; D146-R158 IonicContact OD1-CZ 2.83Å; D146-R158 IonicContact OD1-NE 3.73Å; D146-R158 PolarHBondContact OD1-NE 3.15Å; D146-R158 VanDerWaalsContact OD1-NE 3.11Å; D146-R158 IonicContact OD1-NH2 3.28Å; D146-R158 IonicContact OD2-CZ 2.79Å; D146-R158 IonicContact OD2-NE 2.69Å; D146-R158 PolarHBondContact OD2-NE 3.19Å; D146-R158 IonicContact OD2-NH2 3.46Å; D146-R158 PolarHBondContact OD2-NH2 3.48Å; K156-R158 PolarHBondContact O-N 3.03Å
159	L	93.9	Very high	87.3	Confident	15 Å²	15	76.3 Å²	76.3	8%	0.079	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-99.7	150.6	179.1	-58.1	-172.5	0	0	0	112.8	V147 D149 Q157 V171 L174	V147-L159 HydrophobicContact CG1-CB 4.47Å; V147-L159 PolarHBondContact O-N 2.67Å; D149-L159 HydrophobicContact CB-CD1 3.91Å; Q157-L159 HydrophobicContact CG-CD2 4.28Å; L159-V171 HydrophobicContact CB-CG1 3.5Å; L159-V171 VanDerWaalsContact CB-CG1 3.5Å; L159-V171 HydrophobicContact CD1-CG1 3.68Å; L159-V171 HydrophobicContact CG-CG1 4.26Å; L159-L174 HydrophobicContact CD1-CB 4.2Å; L159-L174 HydrophobicContact CD1-CD1 4.47Å
160	E	93	Very high	87.2	Confident	113 Å²	113	80.5 Å²	80.5	53%	0.528	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.9	-176.9	-63.1	-173.5	140.5	0	0	112.5	V171 K172	E160-V171 WeakPolarHBondContact O-CA 3.47Å; E160-K172 PolarHBondContact O-N 2.95Å
161	L	93.4	Very high	87.2	Confident	18 Å²	18	81.2 Å²	81.2	9%	0.094	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111	170.1	-65.2	-169.5	0	0	0	111.6	V147 V171 K291 R294 L295	V147-L161 HydrophobicContact CG2-CD2 4.37Å; V147-L161 HydrophobicContact CG2-CG 4.49Å; L161-V171 HydrophobicContact CD2-CB 4.48Å; L161-V171 HydrophobicContact CD2-CG2 3.75Å; L161-K291 HydrophobicContact CD1-CB 3.97Å; L161-K291 HydrophobicContact CD1-CD 3.66Å; L161-K291 HydrophobicContact CD1-CG 4.38Å; L161-K291 HydrophobicContact CG-CD 4.07Å; L161-R294 HydrophobicContact CD1-CB 3.85Å; L161-R294 PolarHBondContact O-NH2 3.18Å; L161-L295 HydrophobicContact CD1-CD1 4.43Å; L161-L295 HydrophobicContact CD1-CG 4.07Å; L161-L295 HydrophobicContact CD2-CD1 3.99Å; L161-L295 HydrophobicContact CD2-CD2 3.77Å; L161-L295 HydrophobicContact CD2-CG 3.85Å
162	K	92.7	Very high	87.2	Confident	89 Å²	89	86 Å²	86	39%	0.387	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	167.4	171.9	-67.5	-161.2	171.1	-162.1	0	111.1	V169 Y170 K172	K162-V169 WeakPolarHBondContact O-CA 3.23Å; K162-Y170 HydrophobicContact CB-CD1 4.21Å; K162-Y170 HydrophobicContact CB-CE1 3.58Å; K162-Y170 HydrophobicContact CB-CE2 4.17Å; K162-Y170 PolarHBondContact N-O 3.37Å; K162-Y170 PolarHBondContact O-N 2.92Å; K162-Y170 VanDerWaalsContact O-O 3.14Å; K162-K172 HydrophobicContact CD-CB 4.41Å; K162-K172 HydrophobicContact CG-CB 4.44Å
163	E	89.3	Confident	87.3	Confident	89 Å²	89	87.9 Å²	87.9	42%	0.416	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.3	-174	-167.5	169.1	174.6	0	0	106.9	G168 V169 R288	E163-G168 WeakPolarHBondContact CA-O 3.45Å; E163-V169 HydrophobicContact CG-CG2 4.18Å; E163-R288 IonicContact OE1-NH2 2.67Å; E163-R288 IonicContact OE2-CZ 2.86Å; E163-R288 IonicContact OE2-NE 3.73Å; E163-R288 IonicContact OE2-NH2 3.68Å; E163-R288 PolarHBondContact OE2-NH2 3.45Å
164	H	83	Confident	87.7	Confident	72 Å²	72	83.8 Å²	83.8	33%	0.333	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135	-179.2	-170.3	-99	0	0	0	109.3	E166 K167 G168 Y170	H164-E166 IonicContact CE1-OE2 3.92Å; H164-E166 PolarHBondContact CE1-OE2 3.35Å; H164-E166 PolarHBondContact ND1-N 2.99Å; H164-E166 IonicContact ND1-OE2 3.93Å; H164-E166 PolarHBondContact O-N 3.45Å; H164-K167 HydrophobicContact CB-CB 4.12Å; H164-K167 PolarHBondContact O-N 3Å; H164-K167 VanDerWaalsContact O-N 3.17Å; H164-G168 PolarHBondContact N-O 2.88Å; H164-G168 PolarHBondContact O-N 3.48Å; H164-Y170 HydrophobicContact CB-CD1 4.38Å; H164-Y170 HydrophobicContact CB-CE1 4Å
165	P	79.4	Confident	88.1	Confident	134 Å²	134	81.2 Å²	81.2	87%	0.87	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-37.6	-174.7	-28.9	35.8	0	0	0	114.4
166	E	73.4	Confident	88.5	Confident	165 Å²	165	82.1 Å²	82.1	77%	0.771	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-28.6	-177.6	-55	173.8	146.4	0	0	114.1	H164	H164-E166 IonicContact CE1-OE2 3.92Å; H164-E166 PolarHBondContact CE1-OE2 3.35Å; H164-E166 PolarHBondContact ND1-N 2.99Å; H164-E166 IonicContact ND1-OE2 3.93Å; H164-E166 PolarHBondContact O-N 3.45Å
167	K	74.3	Confident	89.1	Confident	160 Å²	160	78.2 Å²	78.2	70%	0.696	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-1.1	-169.6	-59.6	-178.3	178.7	176.5	0	113.6	H164	H164-K167 HydrophobicContact CB-CB 4.12Å; H164-K167 PolarHBondContact O-N 3Å; H164-K167 VanDerWaalsContact O-N 3.17Å
168	G	84	Confident	89.3	Confident	18 Å²	18	74.7 Å²	74.7	19%	0.186	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.9	-148.1	-176.8	0	0	0	0	0	112.6	E163 H164	E163-G168 WeakPolarHBondContact CA-O 3.45Å; H164-G168 PolarHBondContact N-O 2.88Å; H164-G168 PolarHBondContact O-N 3.48Å
169	V	91	Very high	89.4	Confident	7 Å²	7	67.2 Å²	67.2	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.4	177.6	-179.7	0	0	0	0	110.2	K162 E163 R294 L295	K162-V169 WeakPolarHBondContact O-CA 3.23Å; E163-V169 HydrophobicContact CG-CG2 4.18Å; V169-R294 WeakPolarHBondContact CB-O 3.26Å; V169-R294 HydrophobicContact CG1-CB 4.31Å; V169-L295 HydrophobicContact CG1-CD2 4.46Å
170	Y	92.1	Very high	89.1	Confident	95 Å²	95	69.1 Å²	69.1	37%	0.373	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159	-179.9	75.2	-80.1	0	0	0	112.4	K162 H164	K162-Y170 HydrophobicContact CB-CD1 4.21Å; K162-Y170 HydrophobicContact CB-CE1 3.58Å; K162-Y170 HydrophobicContact CB-CE2 4.17Å; K162-Y170 PolarHBondContact N-O 3.37Å; K162-Y170 PolarHBondContact O-N 2.92Å; K162-Y170 VanDerWaalsContact O-O 3.14Å; H164-Y170 HydrophobicContact CB-CD1 4.38Å; H164-Y170 HydrophobicContact CB-CE1 4Å
171	V	94.2	Very high	89	Confident	17 Å²	17	66.6 Å²	66.6	10%	0.103	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.5	177.2	-172	0	0	0	0	108.9	L140 V147 L159 E160 L161 G173 L174 L295	L140-V171 HydrophobicContact CD2-CG2 3.78Å; V147-V171 HydrophobicContact CG1-CG1 4.18Å; V147-V171 HydrophobicContact CG1-CG2 4.45Å; L159-V171 HydrophobicContact CB-CG1 3.5Å; L159-V171 VanDerWaalsContact CB-CG1 3.5Å; L159-V171 HydrophobicContact CD1-CG1 3.68Å; L159-V171 HydrophobicContact CG-CG1 4.26Å; E160-V171 WeakPolarHBondContact O-CA 3.47Å; L161-V171 HydrophobicContact CD2-CB 4.48Å; L161-V171 HydrophobicContact CD2-CG2 3.75Å; V171-G173 PolarHBondContact O-N 3.26Å; V171-L174 HydrophobicContact CB-CB 3.84Å; V171-L174 HydrophobicContact CB-CD2 4.19Å; V171-L174 HydrophobicContact CG1-CB 3.92Å; V171-L174 HydrophobicContact CG2-CD2 4.29Å; V171-L295 HydrophobicContact CG2-CD2 3.9Å
172	K	93.1	Very high	89	Confident	118 Å²	118	67.2 Å²	67.2	51%	0.513	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.3	173.7	-173.2	-154.7	174.4	-162.6	0	109.2	E160 K162	E160-K172 PolarHBondContact O-N 2.95Å; K162-K172 HydrophobicContact CD-CB 4.41Å; K162-K172 HydrophobicContact CG-CB 4.44Å
173	G	90.8	Very high	89	Confident	61 Å²	61	65.1 Å²	65.1	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	6	174.4	0	0	0	0	0	115.6	V171 S175	V171-G173 PolarHBondContact O-N 3.26Å; G173-S175 PolarHBondContact O-N 3.01Å
174	L	94	Very high	89.2	Confident	35 Å²	35	63.2 Å²	63.2	18%	0.183	34%	0.341	C	S	.	.			trans	-66.2	127.7	172.2	179.3	68.1	0	0	0	110.2	L140 D149 L159 V171	L140-L174 HydrophobicContact CB-CD1 4Å; L140-L174 HydrophobicContact CD2-CD1 4.38Å; L140-L174 HydrophobicContact CD2-CD2 4.07Å; D149-L174 HydrophobicContact CB-CD1 4.09Å; L159-L174 HydrophobicContact CD1-CB 4.2Å; L159-L174 HydrophobicContact CD1-CD1 4.47Å; V171-L174 HydrophobicContact CB-CB 3.84Å; V171-L174 HydrophobicContact CB-CD2 4.19Å; V171-L174 HydrophobicContact CG1-CB 3.92Å; V171-L174 HydrophobicContact CG2-CD2 4.29Å
175	S	93.9	Very high	89.7	Confident	28 Å²	28	59.9 Å²	59.9	20%	0.196	33%	0.326	C	S	.	.			trans	-69.5	141.5	178.3	64.8	0	0	0	0	111.9	S138 D149 G173 H177	S138-S175 WeakPolarHBondContact CB-O 3.4Å; D149-S175 PolarHBondContact OD1-OG 3.02Å; D149-S175 WeakPolarHBondContact OD2-CB 3.37Å; D149-S175 PolarHBondContact OD2-N 3.04Å; D149-S175 PolarHBondContact OD2-OG 2.89Å; G173-S175 PolarHBondContact O-N 3.01Å; S175-H177 WeakPolarHBondContact CB-NE2 3.45Å; S175-H177 PolarHBondContact OG-NE2 3.38Å
176	M	92.8	Very high	90.4	Very high	66 Å²	66	55.9 Å²	55.9	33%	0.325	30%	0.295	S	S	.	.			trans	-122.4	112.5	178.8	-68	-62.3	-37.9	0	0	108.4	R136 N217	R136-M176 HydrophobicContact CB-CE 3.67Å; M176-N217 HydrophobicContact CE-CB 4.48Å; M176-N217 WeakPolarHBondContact CE-ND2 3.45Å
177	H	93.6	Very high	91.4	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.319	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.3	-175.1	-64.3	-104.6	0	0	0	109.6	R136 A137 L151 S175 V188	R136-H177 CarbonylContact C-O 3.52Å; R136-H177 WeakPolarHBondContact CA-O 3.31Å; A137-H177 PolarHBondContact N-O 2.96Å; A137-H177 PolarHBondContact O-N 3.4Å; L151-H177 VanDerWaalsContact CB-NE2 3.32Å; L151-H177 WeakPolarHBondContact CB-NE2 3.24Å; L151-H177 PolarHBondContact O-NE2 3.17Å; S175-H177 WeakPolarHBondContact CB-NE2 3.45Å; S175-H177 PolarHBondContact OG-NE2 3.38Å; H177-V188 HydrophobicContact CB-CG2 4.49Å
178	T	92.8	Very high	92.3	Very high	39 Å²	39	48 Å²	48	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	137.3	174.4	-51.5	0	0	0	0	110.1	L134 H180 Q760	L134-T178 HydrophobicContact CD1-CG2 3.57Å; T178-H180 VanDerWaalsContact CG2-CE1 3.44Å; T178-H180 WeakPolarHBondContact CG2-CE1 3.18Å; T178-Q760 HydrophobicContact CG2-CB 4.26Å; T178-Q760 HydrophobicContact CG2-CG 4.44Å
179	V	93	Very high	92.7	Very high	3 Å²	3	48 Å²	48	2%	0.018	25%	0.252	C	S	.	.			trans	-136.9	125.2	-172	-76	0	0	0	0	110.8	F122 V135 A137 Q184 C185 V188	F122-V179 HydrophobicContact CZ-CG2 4.44Å; F122-V179 WeakPolarHBondContact CZ-O 3.28Å; V135-V179 HydrophobicContact CB-CG2 4.14Å; V135-V179 HydrophobicContact CG1-CG2 3.77Å; V135-V179 WeakPolarHBondContact O-CG2 3.22Å; V135-V179 PolarHBondContact O-N 2.97Å; A137-V179 HydrophobicContact CB-CG1 4.32Å; A137-V179 HydrophobicContact CB-CG2 4.21Å; V179-Q184 HydrophobicContact CB-CB 4.38Å; V179-Q184 HydrophobicContact CG1-CB 4.19Å; V179-C185 VanDerWaalsContact CG2-SG 3.55Å; V179-V188 HydrophobicContact CG1-CG2 4.12Å
180	H	88.1	Confident	92.7	Very high	56 Å²	56	52.1 Å²	52.1	26%	0.259	27%	0.27	S	S	.	.			trans	-104.8	-12.9	-170.2	-51.4	-67	0	0	0	113.9	F122 T178 Q184 Q760 V762	F122-H180 WeakPolarHBondContact CE1-O 3.36Å; T178-H180 VanDerWaalsContact CG2-CE1 3.44Å; T178-H180 WeakPolarHBondContact CG2-CE1 3.18Å; H180-Q184 PolarHBondContact CD2-OE1 2.81Å; H180-Q760 PolarHBondContact CE1-O 2.83Å; H180-Q760 VanDerWaalsContact CE1-O 3.26Å; H180-Q760 PolarHBondContact ND1-O 3.09Å; H180-V762 HydrophobicContact CB-CG2 3.83Å
181	N	89.6	Confident	92.7	Very high	59 Å²	59	50.7 Å²	50.7	32%	0.316	27%	0.272	S	S	.	.	S	Bend	trans	-158.1	165.7	177.5	53.7	69.1	0	0	0	112.4	A183 Q184 C185	N181-A183 VanDerWaalsContact C-N 3.27Å; N181-A183 PolarHBondContact O-N 2.9Å; N181-A183 PolarHBondContact OD1-N 3.16Å; N181-Q184 WeakPolarHBondContact O-CB 3.48Å; N181-Q184 PolarHBondContact O-N 2.84Å; N181-Q184 PolarHBondContact OD1-N 3.48Å; N181-Q184 VanDerWaalsContact OD1-N 3.07Å; N181-C185 PolarHBondContact O-N 3.47Å
182	V	93.4	Very high	92.6	Very high	32 Å²	32	49.9 Å²	49.9	19%	0.194	27%	0.267	C	S	.	.	H	α-helix	trans	-50.7	-45.2	179.6	-177.1	0	0	0	0	111.9	F118 E119 F122 Q184 C185 E186	F118-V182 HydrophobicContact CB-CG1 4.07Å; E119-V182 HydrophobicContact CG-CG1 4.12Å; E119-V182 HydrophobicContact CG-CG2 4.36Å; F122-V182 HydrophobicContact CB-CG2 3.94Å; F122-V182 HydrophobicContact CD2-CB 4.44Å; F122-V182 HydrophobicContact CD2-CG2 3.76Å; F122-V182 HydrophobicContact CG-CG2 4.2Å; V182-Q184 VanDerWaalsContact C-N 3.27Å; V182-Q184 PolarHBondContact O-N 3.02Å; V182-C185 WeakPolarHBondContact O-CB 3.34Å; V182-C185 PolarHBondContact O-N 3.07Å; V182-C185 VanDerWaalsContact O-N 3.08Å; V182-E186 HydrophobicContact CG1-CG 4.29Å; V182-E186 PolarHBondContact O-N 2.96Å
183	A	93.5	Very high	92.2	Very high	44 Å²	44	47.4 Å²	47.4	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-23.9	-178	0	0	0	0	0	113.5	N181 R187	N181-A183 VanDerWaalsContact C-N 3.27Å; N181-A183 PolarHBondContact O-N 2.9Å; N181-A183 PolarHBondContact OD1-N 3.16Å; A183-R187 WeakPolarHBondContact O-CG 3.36Å; A183-R187 PolarHBondContact O-N 3.05Å; A183-R187 PolarHBondContact O-NH1 3.22Å
184	Q	93.7	Very high	92	Very high	50 Å²	50	49.8 Å²	49.8	23%	0.234	25%	0.247	C	C	.	.	H	α-helix	trans	-74.7	-43.2	169.1	-74.2	175.9	0.4	0	0	111.2	V179 H180 N181 V182 E186 R187 V188	V179-Q184 HydrophobicContact CB-CB 4.38Å; V179-Q184 HydrophobicContact CG1-CB 4.19Å; H180-Q184 PolarHBondContact CD2-OE1 2.81Å; N181-Q184 WeakPolarHBondContact O-CB 3.48Å; N181-Q184 PolarHBondContact O-N 2.84Å; N181-Q184 PolarHBondContact OD1-N 3.48Å; N181-Q184 VanDerWaalsContact OD1-N 3.07Å; V182-Q184 VanDerWaalsContact C-N 3.27Å; V182-Q184 PolarHBondContact O-N 3.02Å; Q184-E186 PolarHBondContact O-N 2.97Å; Q184-R187 PolarHBondContact O-N 3.35Å; Q184-V188 WeakPolarHBondContact O-CG2 3.26Å; Q184-V188 PolarHBondContact O-N 2.75Å
185	C	93.8	Very high	91.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-41.7	172.7	-75.6	0	0	0	0	112.8	F118 V179 N181 V182 V188 M189	F118-C185 HydrophobicContact CB-CB 4.19Å; F118-C185 HydrophobicContact CD1-CB 3.82Å; F118-C185 HydrophobicContact CD2-CB 3.54Å; F118-C185 HydrophobicContact CE1-CB 4.01Å; F118-C185 HydrophobicContact CE2-CB 3.72Å; F118-C185 HydrophobicContact CG-CB 3.59Å; F118-C185 HydrophobicContact CZ-CB 3.95Å; V179-C185 VanDerWaalsContact CG2-SG 3.55Å; N181-C185 PolarHBondContact O-N 3.47Å; V182-C185 WeakPolarHBondContact O-CB 3.34Å; V182-C185 PolarHBondContact O-N 3.07Å; V182-C185 VanDerWaalsContact O-N 3.08Å; C185-V188 PolarHBondContact O-N 3.47Å; C185-M189 WeakPolarHBondContact O-CB 3.47Å; C185-M189 PolarHBondContact O-N 2.79Å
186	E	93.2	Very high	91.2	Very high	51 Å²	51	49.1 Å²	49.1	24%	0.238	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-39.5	177.1	-71.2	-179	138.5	0	0	111.4	R111 F118 V182 Q184 V188 M189 E190	R111-E186 IonicContact CZ-OE1 2.62Å; R111-E186 IonicContact NH2-OE1 2.73Å; R111-E186 PolarHBondContact NH2-OE1 3.17Å; F118-E186 HydrophobicContact CD2-CG 3.88Å; F118-E186 HydrophobicContact CE2-CG 4.25Å; V182-E186 HydrophobicContact CG1-CG 4.29Å; V182-E186 PolarHBondContact O-N 2.96Å; Q184-E186 PolarHBondContact O-N 2.97Å; E186-V188 PolarHBondContact O-N 3.46Å; E186-M189 HydrophobicContact CG-CE 4.5Å; E186-M189 PolarHBondContact O-N 3.09Å; E186-E190 WeakPolarHBondContact O-CB 3.33Å; E186-E190 PolarHBondContact O-N 3.05Å
187	R	94.3	Very high	89.9	Confident	141 Å²	141	47.4 Å²	47.4	53%	0.532	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-39.4	171.3	-76	-167.4	-58.7	-88	19.2	113.3	A183 Q184 T191	A183-R187 WeakPolarHBondContact O-CG 3.36Å; A183-R187 PolarHBondContact O-N 3.05Å; A183-R187 PolarHBondContact O-NH1 3.22Å; Q184-R187 PolarHBondContact O-N 3.35Å; R187-T191 WeakPolarHBondContact O-CB 3.46Å; R187-T191 PolarHBondContact O-N 2.85Å; R187-T191 PolarHBondContact O-OG1 2.69Å
188	V	94.4	Very high	88.3	Confident	19 Å²	19	48 Å²	48	12%	0.115	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-46.3	176.1	169.2	0	0	0	0	110.5	A137 L151 H177 V179 Q184 C185 E186 T191 G192 F214	A137-V188 HydrophobicContact CB-CG1 4.2Å; L151-V188 HydrophobicContact CD1-CG1 3.46Å; L151-V188 VanDerWaalsContact CD1-CG1 3.46Å; L151-V188 HydrophobicContact CD2-CG1 3.77Å; L151-V188 VanDerWaalsContact CD2-O 3.31Å; L151-V188 WeakPolarHBondContact CD2-O 3.43Å; L151-V188 HydrophobicContact CG-CG1 4.27Å; H177-V188 HydrophobicContact CB-CG2 4.49Å; V179-V188 HydrophobicContact CG1-CG2 4.12Å; Q184-V188 WeakPolarHBondContact O-CG2 3.26Å; Q184-V188 PolarHBondContact O-N 2.75Å; C185-V188 PolarHBondContact O-N 3.47Å; E186-V188 PolarHBondContact O-N 3.46Å; V188-T191 PolarHBondContact O-N 2.88Å; V188-G192 PolarHBondContact O-N 3.28Å; V188-F214 HydrophobicContact CG1-CE2 4.07Å; V188-F214 HydrophobicContact CG1-CZ 4.11Å
189	M	92.4	Very high	86.6	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-46.5	175	-179.1	-175.1	64.4	0	0	112.1	Q102 I114 F118 C185 E186 T191 W193 F214	Q102-M189 HydrophobicContact CG-SD 4.5Å; I114-M189 HydrophobicContact CB-SD 4.22Å; I114-M189 HydrophobicContact CG2-SD 3.52Å; I114-M189 VanDerWaalsContact CG2-SD 3.52Å; F118-M189 HydrophobicContact CE2-CB 4.05Å; F118-M189 HydrophobicContact CE2-CE 4.31Å; F118-M189 HydrophobicContact CE2-SD 3.97Å; F118-M189 HydrophobicContact CZ-CB 4.17Å; F118-M189 HydrophobicContact CZ-SD 4.31Å; C185-M189 WeakPolarHBondContact O-CB 3.47Å; C185-M189 PolarHBondContact O-N 2.79Å; E186-M189 HydrophobicContact CG-CE 4.5Å; E186-M189 PolarHBondContact O-N 3.09Å; M189-T191 PolarHBondContact O-N 2.79Å; M189-W193 VanDerWaalsContact O-CB 3.28Å; M189-W193 WeakPolarHBondContact O-CB 3.34Å; M189-W193 PolarHBondContact O-N 2.71Å; M189-F214 HydrophobicContact CB-CE2 3.93Å
190	E	91.1	Very high	85.1	Confident	93 Å²	93	49.6 Å²	49.6	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-42.4	175.3	-87.1	-169.8	-137.1	0	0	112.8	E186 W193 K194	E186-E190 WeakPolarHBondContact O-CB 3.33Å; E186-E190 PolarHBondContact O-N 3.05Å; E190-W193 PolarHBondContact O-N 2.95Å; E190-K194 WeakPolarHBondContact O-CB 3.43Å; E190-K194 WeakPolarHBondContact O-CD 3.45Å; E190-K194 WeakPolarHBondContact O-CG 3.36Å; E190-K194 PolarHBondContact O-N 2.74Å; E190-K194 WeakPolarHBondContact OE2-CE 3.24Å; E190-K194 IonicContact OE2-NZ 3.17Å; E190-K194 PolarHBondContact OE2-NZ 3.5Å
191	T	92.2	Very high	83.3	Confident	66 Å²	66	52.2 Å²	52.2	41%	0.405	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-50.3	-179.2	-58.9	0	0	0	0	110	R187 V188 M189 W193 K194 N195	R187-T191 WeakPolarHBondContact O-CB 3.46Å; R187-T191 PolarHBondContact O-N 2.85Å; R187-T191 PolarHBondContact O-OG1 2.69Å; V188-T191 PolarHBondContact O-N 2.88Å; M189-T191 PolarHBondContact O-N 2.79Å; T191-W193 VanDerWaalsContact C-N 3.32Å; T191-W193 PolarHBondContact O-N 2.83Å; T191-K194 PolarHBondContact O-N 2.94Å; T191-N195 PolarHBondContact O-N 2.84Å
192	G	91.1	Very high	81.2	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.6	-33.7	176.5	0	0	0	0	0	113.5	L150 V188 N195 R196	L150-G192 WeakPolarHBondContact O-CA 3.48Å; V188-G192 PolarHBondContact O-N 3.28Å; G192-N195 PolarHBondContact O-N 3.37Å; G192-R196 WeakPolarHBondContact O-CB 3.23Å; G192-R196 PolarHBondContact O-N 2.91Å
193	W	85.4	Confident	78.7	Confident	66 Å²	66	59.9 Å²	59.9	25%	0.25	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-40.6	173.8	-175.6	-95.3	0	0	0	112.5	M189 E190 T191 R196 A197	M189-W193 VanDerWaalsContact O-CB 3.28Å; M189-W193 WeakPolarHBondContact O-CB 3.34Å; M189-W193 PolarHBondContact O-N 2.71Å; E190-W193 PolarHBondContact O-N 2.95Å; T191-W193 VanDerWaalsContact C-N 3.32Å; T191-W193 PolarHBondContact O-N 2.83Å; W193-R196 PolarHBondContact O-N 3.41Å; W193-A197 WeakPolarHBondContact O-CB 3.49Å; W193-A197 PolarHBondContact O-N 2.92Å
194	K	86.3	Confident	76.5	Confident	111 Å²	111	58.8 Å²	58.8	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-42	173.6	-71.6	160.3	-166.9	167.9	0	110.9	E190 T191 A197 V198	E190-K194 WeakPolarHBondContact O-CB 3.43Å; E190-K194 WeakPolarHBondContact O-CD 3.45Å; E190-K194 WeakPolarHBondContact O-CG 3.36Å; E190-K194 PolarHBondContact O-N 2.74Å; E190-K194 WeakPolarHBondContact OE2-CE 3.24Å; E190-K194 IonicContact OE2-NZ 3.17Å; E190-K194 PolarHBondContact OE2-NZ 3.5Å; T191-K194 PolarHBondContact O-N 2.94Å; K194-A197 WeakPolarHBondContact O-CB 3.39Å; K194-A197 PolarHBondContact O-N 2.92Å; K194-A197 VanDerWaalsContact O-N 3.17Å; K194-V198 PolarHBondContact O-N 2.91Å
195	N	87	Confident	74.3	Confident	48 Å²	48	64.6 Å²	64.6	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-45.4	177	-72.2	-16.7	0	0	0	112.3	L150 T155 T191 G192 A197 V198 G199	L150-N195 PolarHBondContact O-ND2 2.83Å; T155-N195 HydrophobicContact CG2-CB 4Å; T191-N195 PolarHBondContact O-N 2.84Å; G192-N195 PolarHBondContact O-N 3.37Å; N195-A197 PolarHBondContact O-N 2.96Å; N195-V198 PolarHBondContact O-N 3.27Å; N195-V198 VanDerWaalsContact O-N 3.14Å; N195-G199 PolarHBondContact O-N 2.88Å
196	R	83.3	Confident	72.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-54.9	-40.2	170.4	-157.4	-176.5	175.1	-158.8	-3.6	111	E141 L150 G192 W193 G199 Y200 S207 S210 S212 D240	E141-R196 WeakPolarHBondContact OE2-CG 3.38Å; E141-R196 IonicContact OE2-NE 2.8Å; L150-R196 HydrophobicContact CD1-CB 4.25Å; L150-R196 HydrophobicContact CD1-CG 4.42Å; L150-R196 HydrophobicContact CD2-CB 3.99Å; L150-R196 HydrophobicContact CD2-CG 4.4Å; G192-R196 WeakPolarHBondContact O-CB 3.23Å; G192-R196 PolarHBondContact O-N 2.91Å; W193-R196 PolarHBondContact O-N 3.41Å; R196-G199 PolarHBondContact O-N 3.16Å; R196-Y200 VanDerWaalsContact CD-OH 3.25Å; R196-Y200 WeakPolarHBondContact CD-OH 3.11Å; R196-Y200 HydrophobicContact CG-CE1 3.98Å; R196-Y200 WeakPolarHBondContact CG-OH 3.5Å; R196-Y200 PolarHBondContact NE-OH 2.86Å; R196-Y200 VanDerWaalsContact O-CD1 3.3Å; R196-Y200 WeakPolarHBondContact O-CD1 3.48Å; R196-Y200 VanDerWaalsContact O-CE1 3.28Å; R196-Y200 WeakPolarHBondContact O-CE1 3.4Å; R196-Y200 PolarHBondContact O-N 2.77Å; R196-S207 PolarHBondContact NH2-O 3.33Å; R196-S207 VanDerWaalsContact NH2-O 3.16Å; R196-S210 PolarHBondContact NE-OG 3.19Å; R196-S210 PolarHBondContact NH2-O 2.96Å; R196-S210 PolarHBondContact NH2-OG 2.93Å; R196-S212 PolarHBondContact NH1-OG 2.94Å; R196-S212 VanDerWaalsContact NH1-OG 3.1Å; R196-D240 IonicContact NH1-OD2 2.67Å; R196-D240 PolarHBondContact NH1-OD2 2.74Å
197	A	65	Low	71	Confident	31 Å²	31	68 Å²	68	26%	0.256	35%	0.352	S	S	.	.	H	α-helix	trans	-71.1	-27.8	178.6	0	0	0	0	0	115.2	W193 K194 N195 G199 Y200 T201	W193-A197 WeakPolarHBondContact O-CB 3.49Å; W193-A197 PolarHBondContact O-N 2.92Å; K194-A197 WeakPolarHBondContact O-CB 3.39Å; K194-A197 PolarHBondContact O-N 2.92Å; K194-A197 VanDerWaalsContact O-N 3.17Å; N195-A197 PolarHBondContact O-N 2.96Å; A197-G199 VanDerWaalsContact C-N 3.29Å; A197-Y200 VanDerWaalsContact CA-CD2 3.49Å; A197-Y200 HydrophobicContact CB-CD2 3.99Å; A197-Y200 HydrophobicContact CB-CE2 4Å; A197-Y200 WeakPolarHBondContact O-CB 3.47Å; A197-Y200 PolarHBondContact O-N 3.48Å; A197-T201 PolarHBondContact O-N 2.88Å
198	V	61.6	Low	69.7	Low	80 Å²	80	62 Å²	62	49%	0.485	33%	0.331	S	S	.	.	H	α-helix	trans	-69.2	-30.1	170.1	173.3	0	0	0	0	111.1	K194 N195 Y200 T201 L202	K194-V198 PolarHBondContact O-N 2.91Å; N195-V198 PolarHBondContact O-N 3.27Å; N195-V198 VanDerWaalsContact O-N 3.14Å; V198-Y200 VanDerWaalsContact C-N 3.32Å; V198-Y200 PolarHBondContact O-N 3.28Å; V198-T201 PolarHBondContact O-N 2.95Å; V198-T201 PolarHBondContact O-OG1 3.4Å; V198-T201 VanDerWaalsContact O-OG1 3.09Å; V198-L202 HydrophobicContact CG1-CD1 4.13Å; V198-L202 PolarHBondContact O-N 3.39Å
199	G	57.4	Low	68.8	Low	36 Å²	36	63.2 Å²	63.2	37%	0.371	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-42.7	166.9	0	0	0	0	0	112.5	N195 R196 A197 T201 L202 M203	N195-G199 PolarHBondContact O-N 2.88Å; R196-G199 PolarHBondContact O-N 3.16Å; A197-G199 VanDerWaalsContact C-N 3.29Å; G199-T201 VanDerWaalsContact C-N 3.32Å; G199-T201 PolarHBondContact O-N 3.3Å; G199-L202 PolarHBondContact O-N 3.45Å; G199-M203 PolarHBondContact O-N 3.4Å
200	Y	59.9	Low	68.6	Low	40 Å²	40	62.5 Å²	62.5	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-64.4	-31.8	-179.8	-48	-24.9	0	0	0	113.4	R196 A197 V198 N204 K205 S207	R196-Y200 VanDerWaalsContact CD-OH 3.25Å; R196-Y200 WeakPolarHBondContact CD-OH 3.11Å; R196-Y200 HydrophobicContact CG-CE1 3.98Å; R196-Y200 WeakPolarHBondContact CG-OH 3.5Å; R196-Y200 PolarHBondContact NE-OH 2.86Å; R196-Y200 VanDerWaalsContact O-CD1 3.3Å; R196-Y200 WeakPolarHBondContact O-CD1 3.48Å; R196-Y200 VanDerWaalsContact O-CE1 3.28Å; R196-Y200 WeakPolarHBondContact O-CE1 3.4Å; R196-Y200 PolarHBondContact O-N 2.77Å; A197-Y200 VanDerWaalsContact CA-CD2 3.49Å; A197-Y200 HydrophobicContact CB-CD2 3.99Å; A197-Y200 HydrophobicContact CB-CE2 4Å; A197-Y200 WeakPolarHBondContact O-CB 3.47Å; A197-Y200 PolarHBondContact O-N 3.48Å; V198-Y200 VanDerWaalsContact C-N 3.32Å; V198-Y200 PolarHBondContact O-N 3.28Å; Y200-N204 CarbonylContact C-O 3.54Å; Y200-N204 VanDerWaalsContact CA-O 3.26Å; Y200-N204 WeakPolarHBondContact CA-O 3.28Å; Y200-N204 CarbonylContact O-C 3.57Å; Y200-N204 PolarHBondContact O-N 2.79Å; Y200-N204 VanDerWaalsContact O-O 3.05Å; Y200-K205 PolarHBondContact O-N 3.44Å; Y200-K205 VanDerWaalsContact O-N 3.15Å; Y200-S207 VanDerWaalsContact CZ-CA 3.48Å; Y200-S207 VanDerWaalsContact CZ-CB 3.48Å; Y200-S207 WeakPolarHBondContact OH-CB 3.27Å
201	T	50.1	Low	68.6	Low	112 Å²	112	58.2 Å²	58.2	69%	0.687	31%	0.31	S	S	*	.	H	α-helix	trans	-82.4	-27.8	-178.1	57.7	0	0	0	0	113.1	A197 V198 G199	A197-T201 PolarHBondContact O-N 2.88Å; V198-T201 PolarHBondContact O-N 2.95Å; V198-T201 PolarHBondContact O-OG1 3.4Å; V198-T201 VanDerWaalsContact O-OG1 3.09Å; G199-T201 VanDerWaalsContact C-N 3.32Å; G199-T201 PolarHBondContact O-N 3.3Å
202	L	45.8	Very low	68.6	Low	117 Å²	117	55.2 Å²	55.2	61%	0.613	29%	0.292	S	S	*	.	H	α-helix	trans	-80	-30.4	-179.3	-83.6	165.1	0	0	0	114.3	V198 G199	V198-L202 HydrophobicContact CG1-CD1 4.13Å; V198-L202 PolarHBondContact O-N 3.39Å; G199-L202 PolarHBondContact O-N 3.45Å
203	M	41.6	Very low	68.9	Low	135 Å²	135	55.6 Å²	55.6	67%	0.665	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-60.1	179.1	-70.6	-170	174.1	0	0	113.6	G199	G199-M203 PolarHBondContact O-N 3.4Å
204	N	46.5	Very low	69.4	Low	21 Å²	21	52.5 Å²	52.5	11%	0.112	28%	0.282	C	S	.	.			trans	-150.3	129.1	-177.3	-74.5	-57	0	0	0	113.3	Y200 D206 R256 E259	Y200-N204 CarbonylContact C-O 3.54Å; Y200-N204 VanDerWaalsContact CA-O 3.26Å; Y200-N204 WeakPolarHBondContact CA-O 3.28Å; Y200-N204 CarbonylContact O-C 3.57Å; Y200-N204 PolarHBondContact O-N 2.79Å; Y200-N204 VanDerWaalsContact O-O 3.05Å; N204-D206 PolarHBondContact O-N 3.49Å; N204-R256 PolarHBondContact OD1-NE 2.62Å; N204-R256 PolarHBondContact OD1-NH2 3.47Å; N204-E259 PolarHBondContact ND2-OE2 3.11Å
205	K	48	Very low	69.9	Low	171 Å²	171	47.8 Å²	47.8	74%	0.743	26%	0.263	S	S	*	.	S	Bend	trans	-61	105.2	163.6	-69.5	-175.6	179	-177.6	0	109.4	Y200	Y200-K205 PolarHBondContact O-N 3.44Å; Y200-K205 VanDerWaalsContact O-N 3.15Å
206	D	56	Low	70.4	Confident	85 Å²	85	45.6 Å²	45.6	46%	0.455	25%	0.251	S	S	.	.			trans	175.8	138.5	136.8	-84.9	-30.9	0	0	0	110.2	N204 S208	N204-D206 PolarHBondContact O-N 3.49Å; D206-S208 WeakPolarHBondContact CB-OG 3.47Å; D206-S208 PolarHBondContact O-N 3.02Å; D206-S208 VanDerWaalsContact O-N 3.1Å
207	S	61	Low	70.9	Confident	40 Å²	40	47.3 Å²	47.3	28%	0.28	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	1.1	174	67.1	0	0	0	0	114.3	R196 Y200 R209	R196-S207 PolarHBondContact NH2-O 3.33Å; R196-S207 VanDerWaalsContact NH2-O 3.16Å; Y200-S207 VanDerWaalsContact CZ-CA 3.48Å; Y200-S207 VanDerWaalsContact CZ-CB 3.48Å; Y200-S207 WeakPolarHBondContact OH-CB 3.27Å; S207-R209 VanDerWaalsContact C-N 3.32Å
208	S	68.6	Low	72.3	Confident	15 Å²	15	45.9 Å²	45.9	11%	0.105	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.8	-179	57.1	0	0	0	0	114.7	T93 D206 A242 G243	T93-S208 WeakPolarHBondContact OG1-CB 3.47Å; D206-S208 WeakPolarHBondContact CB-OG 3.47Å; D206-S208 PolarHBondContact O-N 3.02Å; D206-S208 VanDerWaalsContact O-N 3.1Å; S208-A242 CarbonylContact O-C 3.57Å; S208-A242 WeakPolarHBondContact O-CA 3.47Å; S208-A242 WeakPolarHBondContact O-CB 3.38Å; S208-G243 PolarHBondContact O-N 3.37Å
209	R	75.3	Confident	73.7	Confident	43 Å²	43	43.8 Å²	43.8	16%	0.162	23%	0.233	C	C	.	.	S	Bend	trans	-102.4	-5.3	-164.2	-61.6	-162.7	-169.3	-167.2	2.7	116	Y143 S207 E259 I263	Y143-R209 WeakPolarHBondContact CD2-O 3.43Å; Y143-R209 HydrophobicContact CE2-CB 4.29Å; S207-R209 VanDerWaalsContact C-N 3.32Å; R209-E259 WeakPolarHBondContact CD-OE1 3.49Å; R209-E259 IonicContact CZ-OE2 2.67Å; R209-E259 IonicContact NH1-OE1 2.98Å; R209-E259 IonicContact NH1-OE2 3.23Å; R209-E259 PolarHBondContact NH1-OE2 3.14Å; R209-I263 HydrophobicContact CB-CD1 3.69Å; R209-I263 HydrophobicContact CG-CD1 3.99Å; R209-I263 VanDerWaalsContact O-CD1 3.29Å; R209-I263 WeakPolarHBondContact O-CD1 3.33Å; R209-I263 WeakPolarHBondContact O-CG1 3.37Å
210	S	86.8	Confident	75.2	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-125.6	152.9	169.3	65.8	0	0	0	0	110.5	E141 I142 R196	E141-S210 WeakPolarHBondContact OE2-CB 3.25Å; E141-S210 PolarHBondContact OE2-OG 3.45Å; I142-S210 WeakPolarHBondContact O-CA 3.44Å; I142-S210 WeakPolarHBondContact O-CB 3.45Å; R196-S210 PolarHBondContact NE-OG 3.19Å; R196-S210 PolarHBondContact NH2-O 2.96Å; R196-S210 PolarHBondContact NH2-OG 2.93Å
211	H	91.5	Very high	76.5	Confident	3 Å²	3	44.9 Å²	44.9	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.6	165.1	-47.3	-83.3	0	0	0	107.7	E141 I142 D240 L241 A242 S266 L292	E141-H211 CarbonylContact C-O 3.6Å; E141-H211 WeakPolarHBondContact CA-O 3.46Å; I142-H211 HydrophobicContact CB-CB 4.33Å; I142-H211 PolarHBondContact N-O 2.94Å; I142-H211 PolarHBondContact O-N 3.01Å; H211-D240 WeakPolarHBondContact CA-O 3.31Å; H211-L241 HydrophobicContact CB-CD2 4.22Å; H211-L241 WeakPolarHBondContact ND1-CA 3.36Å; H211-L241 WeakPolarHBondContact ND1-CD2 3.3Å; H211-A242 WeakPolarHBondContact CE1-CB 3.45Å; H211-A242 PolarHBondContact ND1-N 2.68Å; H211-S266 PolarHBondContact NE2-OG 3.14Å; H211-L292 HydrophobicContact CB-CD1 4.25Å
212	S	93.4	Very high	78	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.3	175.2	71.9	0	0	0	0	111.3	L140 R196 V239 D240	L140-S212 CarbonylContact O-C 3.3Å; L140-S212 WeakPolarHBondContact O-CA 3.36Å; R196-S212 PolarHBondContact NH1-OG 2.94Å; R196-S212 VanDerWaalsContact NH1-OG 3.1Å; S212-V239 WeakPolarHBondContact O-CA 3.49Å; S212-D240 PolarHBondContact N-O 3.41Å; S212-D240 PolarHBondContact O-N 3.43Å
213	I	95.8	Very high	79.5	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.036	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	107.6	-178.1	-55.3	-176.4	0	0	0	108.1	Y139 L140 I142 N237 V239 L295	Y139-I213 WeakPolarHBondContact CD2-O 3.45Å; L140-I213 HydrophobicContact CD1-CB 3.82Å; L140-I213 HydrophobicContact CD1-CD1 4.19Å; L140-I213 HydrophobicContact CD1-CG1 4.03Å; L140-I213 HydrophobicContact CG-CB 4.08Å; L140-I213 PolarHBondContact N-O 3.09Å; L140-I213 PolarHBondContact O-N 3.46Å; I142-I213 HydrophobicContact CD1-CD1 4.2Å; I213-N237 HydrophobicContact CG2-CB 4.43Å; I213-V239 HydrophobicContact CG1-CG1 4.13Å; I213-V239 HydrophobicContact CG1-CG2 4.12Å; I213-V239 HydrophobicContact CG2-CG2 4.17Å; I213-L295 HydrophobicContact CD1-CB 4.4Å; I213-L295 HydrophobicContact CD1-CD1 4.35Å
214	F	96.7	Very high	81	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.6	168.6	-166	-71.5	0	0	0	108.1	F118 A137 Y139 V188 M189 I216 L238	F118-F214 HydrophobicContact CE1-CD1 4.14Å; F118-F214 AromaticContact CE1-CE1 3.53Å; F118-F214 HydrophobicContact CE1-CE1 3.53Å; F118-F214 AromaticContact CE1-CZ 3.86Å; F118-F214 HydrophobicContact CE1-CZ 3.86Å; F118-F214 HydrophobicContact CZ-CD1 4.34Å; F118-F214 AromaticContact CZ-CE1 3.73Å; F118-F214 HydrophobicContact CZ-CE1 3.73Å; F118-F214 HydrophobicContact CZ-CE2 4.1Å; F118-F214 AromaticContact CZ-CZ 3.59Å; F118-F214 HydrophobicContact CZ-CZ 3.59Å; A137-F214 HydrophobicContact CB-CE1 3.98Å; A137-F214 HydrophobicContact CB-CZ 3.87Å; Y139-F214 AromaticContact CD1-CD2 3.68Å; Y139-F214 HydrophobicContact CD1-CD2 3.68Å; Y139-F214 HydrophobicContact CD1-CE2 4.18Å; Y139-F214 HydrophobicContact CD2-CB 3.75Å; Y139-F214 AromaticContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CD2 3.86Å; Y139-F214 HydrophobicContact CD2-CG 4.24Å; Y139-F214 HydrophobicContact CE1-CD2 4.22Å; Y139-F214 HydrophobicContact CE2-CB 4.04Å; Y139-F214 HydrophobicContact CE2-CD2 4.34Å; Y139-F214 HydrophobicContact CG-CB 4.28Å; Y139-F214 AromaticContact CG-CD2 3.5Å; Y139-F214 HydrophobicContact CG-CD2 3.5Å; Y139-F214 HydrophobicContact CG-CE2 4.24Å; Y139-F214 HydrophobicContact CG-CG 4.27Å; V188-F214 HydrophobicContact CG1-CE2 4.07Å; V188-F214 HydrophobicContact CG1-CZ 4.11Å; M189-F214 HydrophobicContact CB-CE2 3.93Å; F214-I216 HydrophobicContact CD1-CG1 4.2Å; F214-I216 HydrophobicContact CE1-CG1 3.94Å; F214-L238 HydrophobicContact CB-CB 4.37Å; F214-L238 PolarHBondContact N-O 3.43Å; F214-L238 PolarHBondContact O-N 3.45Å
215	T	97	Very high	82.2	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.08	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.5	-179.6	-66.1	0	0	0	0	110.3	A137 S138 N217 K235 L236 N237	A137-T215 WeakPolarHBondContact CA-O 3.43Å; S138-T215 PolarHBondContact N-O 3.46Å; S138-T215 PolarHBondContact O-N 2.91Å; T215-N217 WeakPolarHBondContact CG2-OD1 3.48Å; T215-K235 HydrophobicContact CG2-CD 4.49Å; T215-K235 HydrophobicContact CG2-CG 3.93Å; T215-L236 CarbonylContact C-O 2.9Å; T215-L236 WeakPolarHBondContact CA-O 3.43Å; T215-N237 WeakPolarHBondContact CG2-OD1 3.22Å; T215-N237 PolarHBondContact OG1-OD1 3.41Å
216	I	96.4	Very high	83.1	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.1	167.4	-47.8	176.1	0	0	0	107.8	F118 V135 F214 I218 K235 L236 L238	F118-I216 HydrophobicContact CD1-CD1 3.7Å; F118-I216 HydrophobicContact CE1-CD1 3.83Å; F118-I216 HydrophobicContact CE1-CG1 4.37Å; V135-I216 HydrophobicContact CG1-CG2 3.55Å; F214-I216 HydrophobicContact CD1-CG1 4.2Å; F214-I216 HydrophobicContact CE1-CG1 3.94Å; I216-I218 HydrophobicContact CG2-CD1 4.47Å; I216-I218 HydrophobicContact CG2-CG1 3.96Å; I216-K235 CarbonylContact O-C 3.56Å; I216-K235 WeakPolarHBondContact O-CA 3.49Å; I216-L236 HydrophobicContact CB-CB 4.39Å; I216-L236 HydrophobicContact CD1-CD2 4.3Å; I216-L236 PolarHBondContact N-O 2.99Å; I216-L236 PolarHBondContact O-N 3.08Å; I216-L238 HydrophobicContact CD1-CD1 4.4Å
217	N	95	Very high	83.6	Confident	37 Å²	37	45.3 Å²	45.3	20%	0.198	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.7	165.6	-64.1	-22.1	0	0	0	108.6	V135 R136 M176 T215 G234 K235	V135-N217 WeakPolarHBondContact CA-O 3.45Å; R136-N217 PolarHBondContact N-O 3.31Å; R136-N217 PolarHBondContact O-N 2.91Å; M176-N217 HydrophobicContact CE-CB 4.48Å; M176-N217 WeakPolarHBondContact CE-ND2 3.45Å; T215-N217 WeakPolarHBondContact CG2-OD1 3.48Å; N217-G234 WeakPolarHBondContact CA-O 3.03Å; N217-K235 WeakPolarHBondContact OD1-CG 3.36Å
218	I	93.9	Very high	84	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	107.7	178.6	-53.3	178.1	0	0	0	107.4	V79 T80 V121 F133 V135 I216 I220 A233 G234	V79-I218 HydrophobicContact CG1-CD1 4.16Å; T80-I218 HydrophobicContact CG2-CD1 4.12Å; V121-I218 HydrophobicContact CB-CD1 4.44Å; V121-I218 HydrophobicContact CG1-CD1 3.65Å; V121-I218 HydrophobicContact CG1-CG1 4.43Å; V121-I218 HydrophobicContact CG2-CD1 3.88Å; F133-I218 HydrophobicContact CD1-CG2 3.93Å; V135-I218 HydrophobicContact CG1-CG1 4.43Å; V135-I218 HydrophobicContact CG2-CG2 4.48Å; I216-I218 HydrophobicContact CG2-CD1 4.47Å; I216-I218 HydrophobicContact CG2-CG1 3.96Å; I218-I220 HydrophobicContact CG2-CG1 3.94Å; I218-A233 CarbonylContact O-C 3.58Å; I218-A233 WeakPolarHBondContact O-CA 3.5Å; I218-G234 PolarHBondContact N-O 2.87Å; I218-G234 PolarHBondContact O-N 3.47Å
219	E	90.8	Very high	84.3	Confident	35 Å²	35	51.8 Å²	51.8	16%	0.164	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.2	167.9	-73.3	145.2	-123	0	0	109.2	F133 L134 R136 Y221	F133-E219 CarbonylContact C-O 3.56Å; F133-E219 VanDerWaalsContact CA-O 3.29Å; F133-E219 WeakPolarHBondContact CA-O 3.29Å; L134-E219 HydrophobicContact CB-CB 4.28Å; L134-E219 PolarHBondContact N-O 3.09Å; L134-E219 PolarHBondContact O-N 2.81Å; R136-E219 IonicContact CZ-OE1 3.91Å; R136-E219 VanDerWaalsContact CZ-OE1 3.28Å; R136-E219 IonicContact NE-OE1 2.87Å; R136-E219 PolarHBondContact NE-OE1 3.4Å; R136-E219 VanDerWaalsContact NE-OE1 3.14Å; R136-E219 IonicContact NH2-OE1 3.96Å; R136-E219 PolarHBondContact NH2-OE1 3.22Å; R136-E219 IonicContact NH2-OE2 3.64Å; E219-Y221 HydrophobicContact CB-CE2 3.75Å; E219-Y221 PolarHBondContact OE2-OH 3.14Å
220	I	89.8	Confident	84.6	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111.5	-171.5	-50.8	170.4	0	0	0	107.7	T80 F133 I218 L231 R232	T80-I220 VanDerWaalsContact O-CD1 3.26Å; T80-I220 WeakPolarHBondContact O-CD1 3.41Å; F133-I220 HydrophobicContact CD1-CB 4.36Å; F133-I220 HydrophobicContact CD1-CG1 3.89Å; F133-I220 HydrophobicContact CD1-CG2 4.17Å; F133-I220 HydrophobicContact CE1-CB 4.35Å; F133-I220 HydrophobicContact CE1-CD1 4.42Å; F133-I220 HydrophobicContact CE1-CG1 3.93Å; F133-I220 HydrophobicContact CE1-CG2 3.77Å; F133-I220 HydrophobicContact CZ-CG2 4.31Å; I218-I220 HydrophobicContact CG2-CG1 3.94Å; I220-L231 WeakPolarHBondContact O-CA 3.47Å; I220-R232 HydrophobicContact CB-CB 4.26Å; I220-R232 HydrophobicContact CD1-CB 4.39Å; I220-R232 PolarHBondContact N-O 3.01Å; I220-R232 PolarHBondContact O-N 2.9Å
221	Y	86	Confident	84.5	Confident	95 Å²	95	53.5 Å²	53.5	37%	0.373	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	99.8	176.1	-59.1	-98.5	0	0	0	108	T131 K132 L134 E219 L231	T131-Y221 WeakPolarHBondContact CA-O 3.49Å; K132-Y221 PolarHBondContact N-O 2.65Å; K132-Y221 PolarHBondContact O-N 2.88Å; L134-Y221 HydrophobicContact CB-CE2 4.5Å; E219-Y221 HydrophobicContact CB-CE2 3.75Å; E219-Y221 PolarHBondContact OE2-OH 3.14Å; Y221-L231 HydrophobicContact CD1-CD1 3.86Å; Y221-L231 HydrophobicContact CD2-CD1 4.34Å; Y221-L231 HydrophobicContact CE1-CD1 3.62Å; Y221-L231 HydrophobicContact CE1-CD2 4.31Å; Y221-L231 HydrophobicContact CE2-CD1 4.12Å; Y221-L231 HydrophobicContact CG-CD1 4.2Å
222	A	83.1	Confident	84.4	Confident	8 Å²	8	56.6 Å²	56.6	7%	0.066	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	146.2	176.2	0	0	0	0	0	110.5	T131 D229 H230	T131-A222 HydrophobicContact CG2-CB 3.72Å; A222-D229 CarbonylContact O-C 3.59Å; A222-D229 WeakPolarHBondContact O-CA 3.48Å; A222-H230 HydrophobicContact CB-CB 4.2Å; A222-H230 PolarHBondContact N-O 2.84Å; A222-H230 PolarHBondContact O-N 2.94Å
223	V	75.6	Confident	84.3	Confident	72 Å²	72	58.4 Å²	58.4	44%	0.436	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.6	168.5	-171.8	0	0	0	0	108.6	N130	N130-V223 PolarHBondContact O-N 2.64Å; N130-V223 VanDerWaalsContact O-N 3.16Å
224	D	74.3	Confident	84.2	Confident	72 Å²	72	58.2 Å²	58.2	39%	0.385	30%	0.295	S	S	.	.			trans	-67.7	159.3	178	-106.6	39.1	0	0	0	111.5	R226 G227 K228 H230	D224-R226 PolarHBondContact O-N 3.39Å; D224-G227 PolarHBondContact O-N 3.49Å; D224-K228 PolarHBondContact N-O 2.78Å; D224-H230 IonicContact OD1-CD2 2.61Å
225	E	70.9	Confident	84.1	Confident	208 Å²	208	61.3 Å²	61.3	97%	0.972	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-16.7	176.1	-60.9	-177.2	154.9	0	0	114	G227	E225-G227 VanDerWaalsContact C-N 3.33Å
226	R	67.7	Low	84.2	Confident	229 Å²	229	60.8 Å²	60.8	86%	0.864	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	2.9	176.7	-62.1	176.1	-178.5	-95.1	-6.8	113.8	D224 K228	D224-R226 PolarHBondContact O-N 3.39Å; R226-K228 VanDerWaalsContact C-N 3.32Å
227	G	66.8	Low	84.2	Confident	61 Å²	61	61.2 Å²	61.2	63%	0.629	31%	0.307	S	S	*	.	S	Bend	trans	68.9	29.6	-173.8	0	0	0	0	0	113.2	D224 E225	D224-G227 PolarHBondContact O-N 3.49Å; E225-G227 VanDerWaalsContact C-N 3.33Å
228	K	69.8	Low	84.3	Confident	71 Å²	71	59.6 Å²	59.6	31%	0.309	30%	0.298	S	S	.	.			trans	-109.1	128.1	179.5	-171.1	-166.6	159.4	-65.1	0	110.1	D224 R226 H230 D347	D224-K228 PolarHBondContact N-O 2.78Å; R226-K228 VanDerWaalsContact C-N 3.32Å; K228-H230 PolarHBondContact NZ-CE1 2.84Å; K228-H230 PolarHBondContact NZ-ND1 2.83Å; K228-H230 PolarHBondContact NZ-NE2 2.92Å; K228-D347 WeakPolarHBondContact CE-OD1 3.38Å; K228-D347 IonicContact NZ-OD1 3.93Å; K228-D347 PolarHBondContact NZ-OD1 3.25Å; K228-D347 IonicContact NZ-OD2 3.73Å; K228-D347 PolarHBondContact NZ-OD2 3.13Å
229	D	74.2	Confident	84.5	Confident	121 Å²	121	59.5 Å²	59.5	65%	0.647	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.9	174.5	-59.1	-29.1	0	0	0	111.6	A222	A222-D229 CarbonylContact O-C 3.59Å; A222-D229 WeakPolarHBondContact O-CA 3.48Å
230	H	80.7	Confident	84.6	Confident	31 Å²	31	58.1 Å²	58.1	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	113.7	179.4	-86.2	-74.3	0	0	0	110.1	A222 D224 K228 D347	A222-H230 HydrophobicContact CB-CB 4.2Å; A222-H230 PolarHBondContact N-O 2.84Å; A222-H230 PolarHBondContact O-N 2.94Å; D224-H230 IonicContact OD1-CD2 2.61Å; K228-H230 PolarHBondContact NZ-CE1 2.84Å; K228-H230 PolarHBondContact NZ-ND1 2.83Å; K228-H230 PolarHBondContact NZ-NE2 2.92Å; H230-D347 WeakPolarHBondContact CA-OD2 3.5Å; H230-D347 IonicContact CE1-OD1 2.96Å; H230-D347 IonicContact CE1-OD2 2.7Å; H230-D347 IonicContact CG-OD2 2.81Å; H230-D347 IonicContact ND1-OD1 3.83Å; H230-D347 IonicContact ND1-OD2 3.2Å; H230-D347 PolarHBondContact ND1-OD2 3.38Å
231	L	84.3	Confident	84.8	Confident	51 Å²	51	58 Å²	58	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.4	-179.7	177.2	58	0	0	0	110.9	I220 Y221 D344	I220-L231 WeakPolarHBondContact O-CA 3.47Å; Y221-L231 HydrophobicContact CD1-CD1 3.86Å; Y221-L231 HydrophobicContact CD2-CD1 4.34Å; Y221-L231 HydrophobicContact CE1-CD1 3.62Å; Y221-L231 HydrophobicContact CE1-CD2 4.31Å; Y221-L231 HydrophobicContact CE2-CD1 4.12Å; Y221-L231 HydrophobicContact CG-CD1 4.2Å; L231-D344 HydrophobicContact CB-CB 4.12Å; L231-D344 PolarHBondContact O-N 3.43Å
232	R	90.3	Very high	85	Confident	68 Å²	68	53.4 Å²	53.4	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.4	172.9	-31.2	-175.5	-170.3	154.8	6.4	110.8	E81 I220 N342 E343	E81-R232 WeakPolarHBondContact O-CD 3.26Å; E81-R232 PolarHBondContact O-NH1 3.26Å; I220-R232 HydrophobicContact CB-CB 4.26Å; I220-R232 HydrophobicContact CD1-CB 4.39Å; I220-R232 PolarHBondContact N-O 3.01Å; I220-R232 PolarHBondContact O-N 2.9Å; R232-N342 WeakPolarHBondContact CA-O 3.23Å; R232-E343 HydrophobicContact CB-CG 4.09Å; R232-E343 VanDerWaalsContact CD-OE1 3.28Å; R232-E343 WeakPolarHBondContact CD-OE1 3.23Å; R232-E343 HydrophobicContact CG-CG 3.77Å; R232-E343 IonicContact NE-OE1 2.82Å; R232-E343 PolarHBondContact NE-OE1 3.25Å
233	A	91.5	Very high	85.1	Confident	41 Å²	41	53.1 Å²	53.1	34%	0.339	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.4	177.2	0	0	0	0	0	112.9	I218 N342	I218-A233 CarbonylContact O-C 3.58Å; I218-A233 WeakPolarHBondContact O-CA 3.5Å; A233-N342 HydrophobicContact CB-CB 4.38Å; A233-N342 PolarHBondContact N-O 3Å; A233-N342 WeakPolarHBondContact O-CB 3.21Å; A233-N342 PolarHBondContact O-ND2 3.33Å
234	G	93.4	Very high	85.6	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143.6	165.8	0	0	0	0	0	111.8	Y83 N217 I218	Y83-G234 WeakPolarHBondContact O-CA 3.25Å; N217-G234 WeakPolarHBondContact CA-O 3.03Å; I218-G234 PolarHBondContact N-O 2.87Å; I218-G234 PolarHBondContact O-N 3.47Å
235	K	95.4	Very high	85.8	Confident	66 Å²	66	48.7 Å²	48.7	29%	0.287	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	115.6	171.7	176.8	178.4	178.2	-172.4	0	110.2	Y83 N84 G85 T215 I216 N217 N237	Y83-K235 PolarHBondContact O-N 3.06Å; N84-K235 CarbonylContact C-O 3.58Å; N84-K235 WeakPolarHBondContact CA-O 3.47Å; G85-K235 PolarHBondContact N-O 2.85Å; T215-K235 HydrophobicContact CG2-CD 4.49Å; T215-K235 HydrophobicContact CG2-CG 3.93Å; I216-K235 CarbonylContact O-C 3.56Å; I216-K235 WeakPolarHBondContact O-CA 3.49Å; N217-K235 WeakPolarHBondContact OD1-CG 3.36Å; K235-N237 VanDerWaalsContact CE-OD1 3.29Å; K235-N237 WeakPolarHBondContact CE-OD1 3.21Å
236	L	97.5	Very high	85.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112.7	175.1	180	59	0	0	0	110	L75 V76 V79 G85 I87 A117 T215 I216 L238	L75-L236 HydrophobicContact CD2-CD1 3.66Å; V76-L236 HydrophobicContact CG1-CD2 4.38Å; V76-L236 HydrophobicContact CG2-CD2 3.98Å; V79-L236 HydrophobicContact CB-CB 4.41Å; V79-L236 HydrophobicContact CG1-CB 4.03Å; V79-L236 HydrophobicContact CG2-CB 4.07Å; V79-L236 HydrophobicContact CG2-CD1 4.17Å; G85-L236 WeakPolarHBondContact O-CA 3.29Å; I87-L236 HydrophobicContact CG1-CD1 4.47Å; A117-L236 HydrophobicContact CB-CD2 3.97Å; T215-L236 CarbonylContact C-O 2.9Å; T215-L236 WeakPolarHBondContact CA-O 3.43Å; I216-L236 HydrophobicContact CB-CB 4.39Å; I216-L236 HydrophobicContact CD1-CD2 4.3Å; I216-L236 PolarHBondContact N-O 2.99Å; I216-L236 PolarHBondContact O-N 3.08Å; L236-L238 HydrophobicContact CD1-CD2 4.06Å; L236-L238 HydrophobicContact CD2-CD1 4.17Å; L236-L238 HydrophobicContact CD2-CD2 4.03Å; L236-L238 HydrophobicContact CD2-CG 4.23Å; L236-L238 HydrophobicContact CG-CD1 4.37Å; L236-L238 HydrophobicContact CG-CD2 3.92Å; L236-L238 HydrophobicContact CG-CG 3.97Å
237	N	97.6	Very high	85.5	Confident	11 Å²	11	37.5 Å²	37.5	6%	0.059	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.7	167.6	-55.1	-42.6	0	0	0	110.2	G85 T86 I87 I213 T215 K235 V239	G85-N237 PolarHBondContact O-N 3.12Å; T86-N237 WeakPolarHBondContact CA-O 3.46Å; T86-N237 HydrophobicContact CG2-CB 4.12Å; T86-N237 PolarHBondContact OG1-ND2 3.04Å; T86-N237 VanDerWaalsContact OG1-ND2 3.1Å; I87-N237 PolarHBondContact N-O 3Å; I213-N237 HydrophobicContact CG2-CB 4.43Å; T215-N237 WeakPolarHBondContact CG2-OD1 3.22Å; T215-N237 PolarHBondContact OG1-OD1 3.41Å; K235-N237 VanDerWaalsContact CE-OD1 3.29Å; K235-N237 WeakPolarHBondContact CE-OD1 3.21Å; N237-V239 HydrophobicContact CB-CG2 4.31Å
238	L	97.4	Very high	85.3	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	108.5	178.1	-60.3	167.5	0	0	0	107.7	I87 M101 I113 I114 A117 F214 I216 L236	I87-L238 HydrophobicContact CB-CD2 4.12Å; I87-L238 HydrophobicContact CD1-CD2 4.06Å; I87-L238 HydrophobicContact CG1-CD2 4.28Å; M101-L238 HydrophobicContact CE-CB 3.97Å; M101-L238 HydrophobicContact CE-CD2 4.38Å; I113-L238 HydrophobicContact CG2-CD2 4.33Å; I114-L238 HydrophobicContact CB-CD1 4.32Å; I114-L238 HydrophobicContact CD1-CB 4.45Å; I114-L238 HydrophobicContact CG1-CB 3.96Å; I114-L238 HydrophobicContact CG1-CD1 4Å; I114-L238 HydrophobicContact CG1-CG 4.44Å; I114-L238 HydrophobicContact CG2-CD1 4.13Å; A117-L238 HydrophobicContact CB-CD1 4.21Å; F214-L238 HydrophobicContact CB-CB 4.37Å; F214-L238 PolarHBondContact N-O 3.43Å; F214-L238 PolarHBondContact O-N 3.45Å; I216-L238 HydrophobicContact CD1-CD1 4.4Å; L236-L238 HydrophobicContact CD1-CD2 4.06Å; L236-L238 HydrophobicContact CD2-CD1 4.17Å; L236-L238 HydrophobicContact CD2-CD2 4.03Å; L236-L238 HydrophobicContact CD2-CG 4.23Å; L236-L238 HydrophobicContact CG-CD1 4.37Å; L236-L238 HydrophobicContact CG-CD2 3.92Å; L236-L238 HydrophobicContact CG-CG 3.97Å
239	V	96.8	Very high	85	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.9	-164.4	-175.6	0	0	0	0	111.3	T86 I87 F88 A89 S212 I213 N237 L241 L296	T86-V239 HydrophobicContact CG2-CG2 4.37Å; I87-V239 PolarHBondContact O-N 3.21Å; F88-V239 WeakPolarHBondContact CA-O 3.48Å; F88-V239 HydrophobicContact CB-CB 3.69Å; F88-V239 HydrophobicContact CB-CG1 4.15Å; F88-V239 HydrophobicContact CB-CG2 4.33Å; A89-V239 PolarHBondContact N-O 2.84Å; S212-V239 WeakPolarHBondContact O-CA 3.49Å; I213-V239 HydrophobicContact CG1-CG1 4.13Å; I213-V239 HydrophobicContact CG1-CG2 4.12Å; I213-V239 HydrophobicContact CG2-CG2 4.17Å; N237-V239 HydrophobicContact CB-CG2 4.31Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.93Å; V239-L296 HydrophobicContact CG2-CD2 4.18Å
240	D	94.7	Very high	84.5	Confident	5 Å²	5	38 Å²	38	3%	0.027	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	101.7	168.6	-175.7	44.1	0	0	0	107.9	K97 S98 M101 R196 H211 S212	K97-D240 WeakPolarHBondContact CB-OD1 3.3Å; S98-D240 WeakPolarHBondContact CA-OD1 3.42Å; S98-D240 WeakPolarHBondContact CB-OD2 3.35Å; S98-D240 PolarHBondContact N-OD1 2.79Å; S98-D240 VanDerWaalsContact OG-CG 3.3Å; S98-D240 PolarHBondContact OG-OD1 3.44Å; S98-D240 PolarHBondContact OG-OD2 2.84Å; M101-D240 HydrophobicContact CB-CB 4.44Å; M101-D240 HydrophobicContact CG-CB 4.24Å; R196-D240 IonicContact NH1-OD2 2.67Å; R196-D240 PolarHBondContact NH1-OD2 2.74Å; H211-D240 WeakPolarHBondContact CA-O 3.31Å; S212-D240 PolarHBondContact N-O 3.41Å; S212-D240 PolarHBondContact O-N 3.43Å
241	L	93.6	Very high	83.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-75.1	165	-177.9	-61.9	177.1	0	0	0	111.9	F88 A89 Y90 K97 H211 V239 L267 L270 L292	F88-L241 HydrophobicContact CD2-CD1 3.85Å; F88-L241 HydrophobicContact CE2-CD1 4.49Å; A89-L241 VanDerWaalsContact O-CB 3.31Å; A89-L241 WeakPolarHBondContact O-CB 3.48Å; A89-L241 WeakPolarHBondContact O-CG 3.45Å; A89-L241 PolarHBondContact O-N 2.94Å; Y90-L241 HydrophobicContact CD2-CD1 3.88Å; K97-L241 WeakPolarHBondContact CE-O 3.37Å; H211-L241 HydrophobicContact CB-CD2 4.22Å; H211-L241 WeakPolarHBondContact ND1-CA 3.36Å; H211-L241 WeakPolarHBondContact ND1-CD2 3.3Å; V239-L241 HydrophobicContact CG1-CD2 3.45Å; V239-L241 VanDerWaalsContact CG1-CD2 3.45Å; V239-L241 HydrophobicContact CG1-CG 3.93Å; L241-L267 HydrophobicContact CD1-CD2 4.34Å; L241-L270 HydrophobicContact CD1-CD2 3.98Å; L241-L292 HydrophobicContact CD2-CD1 3.75Å; L241-L292 HydrophobicContact CD2-CD2 3.94Å; L241-L292 HydrophobicContact CD2-CG 4.46Å
242	A	90.1	Very high	82.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-66.4	173.4	170.7	0	0	0	0	0	113.3	K97 S208 H211 I263	K97-A242 WeakPolarHBondContact CE-O 3.25Å; K97-A242 PolarHBondContact NZ-O 3.39Å; K97-A242 VanDerWaalsContact NZ-O 3.09Å; S208-A242 CarbonylContact O-C 3.57Å; S208-A242 WeakPolarHBondContact O-CA 3.47Å; S208-A242 WeakPolarHBondContact O-CB 3.38Å; H211-A242 WeakPolarHBondContact CE1-CB 3.45Å; H211-A242 PolarHBondContact ND1-N 2.68Å; A242-I263 HydrophobicContact CB-CG2 3.55Å
243	G	85.6	Confident	81.9	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.01	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-63.1	133.7	169.9	0	0	0	0	0	113.1	T93 S208 E245 L267	T93-G243 WeakPolarHBondContact OG1-CA 3.29Å; S208-G243 PolarHBondContact O-N 3.37Å; G243-E245 VanDerWaalsContact C-OE2 3.24Å; G243-E245 WeakPolarHBondContact CA-OE2 3.42Å; G243-L267 WeakPolarHBondContact O-CD1 3.45Å
244	S	85.8	Confident	81.3	Confident	17 Å²	17	40.8 Å²	40.8	12%	0.119	24%	0.244	C	C	.	.			trans	-89.2	0.4	176.1	70.1	0	0	0	0	114.7	G91 Q92	G91-S244 PolarHBondContact O-N 3.48Å; G91-S244 PolarHBondContact O-OG 2.74Å; Q92-S244 PolarHBondContact N-OG 3.21Å
245	E	77	Confident	80.4	Confident	35 Å²	35	47.6 Å²	47.6	16%	0.164	28%	0.275	C	S	.	.			trans	-68.5	153.6	-170.8	63.7	-81.4	-172.2	0	0	114.5	Q92 T93 G243 T250 N264	Q92-E245 HydrophobicContact CB-CB 4.39Å; T93-E245 WeakPolarHBondContact CB-OE1 3.43Å; T93-E245 WeakPolarHBondContact CB-OE2 3.32Å; T93-E245 PolarHBondContact N-OE2 3Å; T93-E245 PolarHBondContact OG1-OE1 2.92Å; T93-E245 PolarHBondContact OG1-OE2 3.17Å; T93-E245 VanDerWaalsContact OG1-OE2 3.13Å; G243-E245 VanDerWaalsContact C-OE2 3.24Å; G243-E245 WeakPolarHBondContact CA-OE2 3.42Å; E245-T250 HydrophobicContact CG-CG2 4.29Å; E245-N264 PolarHBondContact O-ND2 3.46Å
246	R	67.5	Low	79.3	Confident	148 Å²	148	50 Å²	50	56%	0.558	28%	0.283	S	S	*	.			trans	-71.5	132.8	178	-62.4	178.3	179	-152.6	-5.8	110.7	S248 K249 E321	R246-S248 PolarHBondContact O-N 3Å; R246-K249 PolarHBondContact O-N 2.81Å; R246-E321 PolarHBondContact N-OE1 3.4Å
247	Q	65.9	Low	78.3	Confident	54 Å²	54	53.7 Å²	53.7	25%	0.252	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-51.6	-31	-178.3	-57.7	-166.6	-95.8	0	0	113.2	K249 T250 L257 A260 T261	Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.4Å; Q247-T250 WeakPolarHBondContact O-CB 3.47Å; Q247-T250 PolarHBondContact O-N 3.35Å; Q247-T250 PolarHBondContact O-OG1 2.84Å; Q247-L257 PolarHBondContact NE2-O 2.81Å; Q247-A260 HydrophobicContact CG-CB 4.24Å; Q247-A260 VanDerWaalsContact NE2-C 3.35Å; Q247-A260 VanDerWaalsContact NE2-CB 3.29Å; Q247-T261 PolarHBondContact NE2-OG1 2.92Å; Q247-T261 PolarHBondContact OE1-OG1 2.85Å
248	S	62.9	Low	77.4	Confident	103 Å²	103	60 Å²	60	72%	0.72	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56.6	-33.2	176	49.8	0	0	0	0	114.4	R246 T250	R246-S248 PolarHBondContact O-N 3Å; S248-T250 VanDerWaalsContact C-N 3.27Å; S248-T250 PolarHBondContact O-N 3.44Å
249	K	62	Low	76.3	Confident	97 Å²	97	60.4 Å²	60.4	42%	0.422	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-77.7	-8.1	176.6	-66.6	-169	178.7	-175.7	0	113.3	R246 Q247 N317 D320 E321	R246-K249 PolarHBondContact O-N 2.81Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.4Å; K249-N317 PolarHBondContact NZ-O 2.82Å; K249-D320 IonicContact NZ-OD2 2.71Å; K249-D320 PolarHBondContact NZ-OD2 2.68Å; K249-E321 HydrophobicContact CD-CG 4.39Å
250	T	63.8	Low	75.3	Confident	64 Å²	64	61 Å²	61	39%	0.393	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-23.2	-172.6	72.9	0	0	0	0	115.3	E245 Q247 S248 A252	E245-T250 HydrophobicContact CG-CG2 4.29Å; Q247-T250 WeakPolarHBondContact O-CB 3.47Å; Q247-T250 PolarHBondContact O-N 3.35Å; Q247-T250 PolarHBondContact O-OG1 2.84Å; S248-T250 VanDerWaalsContact C-N 3.27Å; S248-T250 PolarHBondContact O-N 3.44Å; T250-A252 PolarHBondContact O-N 3.03Å; T250-A252 WeakPolarHBondContact OG1-CB 3.11Å; T250-A252 PolarHBondContact OG1-N 2.66Å
251	G	64.1	Low	74.6	Confident	66 Å²	66	64 Å²	64	68%	0.68	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	16.7	-172.7	0	0	0	0	0	115
252	A	65.9	Low	74.1	Confident	18 Å²	18	68 Å²	68	15%	0.149	37%	0.372	C	S	.	.			trans	-68.4	130.2	-173.5	0	0	0	0	0	113.2	T250 R256	T250-A252 PolarHBondContact O-N 3.03Å; T250-A252 WeakPolarHBondContact OG1-CB 3.11Å; T250-A252 PolarHBondContact OG1-N 2.66Å; A252-R256 HydrophobicContact CB-CB 3.83Å
253	T	71.6	Confident	73.7	Confident	109 Å²	109	68.7 Å²	68.7	67%	0.669	38%	0.375	S	S	*	.			trans	-120.7	162.8	176.7	56.5	0	0	0	0	111.8	E255 R256	T253-E255 PolarHBondContact O-N 3.47Å; T253-R256 WeakPolarHBondContact O-CB 3.35Å; T253-R256 PolarHBondContact O-N 2.93Å
254	G	79.2	Confident	73.4	Confident	55 Å²	55	70.4 Å²	70.4	57%	0.567	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-130.7	176.5	0	0	0	0	0	113.2	R256 L257	G254-R256 VanDerWaalsContact C-N 3.32Å; G254-R256 PolarHBondContact O-N 2.86Å; G254-L257 WeakPolarHBondContact O-CB 3.12Å; G254-L257 PolarHBondContact O-N 3.28Å
255	E	74.2	Confident	73.5	Confident	147 Å²	147	73.5 Å²	73.5	69%	0.687	40%	0.399	S	S	*	.	H	α-helix	trans	-67.4	-32.2	-177.3	-59.2	-173.1	137.1	0	0	112.7	T253 L257 K258 E259	T253-E255 PolarHBondContact O-N 3.47Å; E255-L257 PolarHBondContact O-N 3.07Å; E255-K258 WeakPolarHBondContact O-CB 3.44Å; E255-K258 PolarHBondContact O-N 3.35Å; E255-K258 VanDerWaalsContact O-N 3.08Å; E255-E259 WeakPolarHBondContact O-CB 3.39Å; E255-E259 PolarHBondContact O-N 3.32Å
256	R	71.2	Confident	74.1	Confident	117 Å²	117	71.9 Å²	71.9	44%	0.442	39%	0.391	S	S	.	.	H	α-helix	trans	-56.8	-33	173.5	-61	-179.3	162.5	-170.3	-7.1	112.4	N204 A252 T253 G254 A260	N204-R256 PolarHBondContact OD1-NE 2.62Å; N204-R256 PolarHBondContact OD1-NH2 3.47Å; A252-R256 HydrophobicContact CB-CB 3.83Å; T253-R256 WeakPolarHBondContact O-CB 3.35Å; T253-R256 PolarHBondContact O-N 2.93Å; G254-R256 VanDerWaalsContact C-N 3.32Å; G254-R256 PolarHBondContact O-N 2.86Å; R256-A260 VanDerWaalsContact O-CB 3.25Å; R256-A260 WeakPolarHBondContact O-CB 3.29Å; R256-A260 PolarHBondContact O-N 2.61Å
257	L	77.3	Confident	75.2	Confident	78 Å²	78	65.3 Å²	65.3	41%	0.408	37%	0.367	S	S	.	.	H	α-helix	trans	-71.6	-43.7	177.9	-173.4	67.6	0	0	0	110.9	Q247 G254 E255 A260 T261	Q247-L257 PolarHBondContact NE2-O 2.81Å; G254-L257 WeakPolarHBondContact O-CB 3.12Å; G254-L257 PolarHBondContact O-N 3.28Å; E255-L257 PolarHBondContact O-N 3.07Å; L257-A260 PolarHBondContact O-N 3.39Å; L257-T261 WeakPolarHBondContact O-CB 3.49Å; L257-T261 PolarHBondContact O-N 3.34Å; L257-T261 PolarHBondContact O-OG1 3.46Å
258	K	78.9	Confident	76.3	Confident	142 Å²	142	66 Å²	66	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-61.4	-46.8	176.7	-60.3	177.5	-177.5	172.1	0	111.4	E255 T261 K262	E255-K258 WeakPolarHBondContact O-CB 3.44Å; E255-K258 PolarHBondContact O-N 3.35Å; E255-K258 VanDerWaalsContact O-N 3.08Å; K258-T261 PolarHBondContact O-N 3.12Å; K258-K262 PolarHBondContact O-N 3.09Å
259	E	74.8	Confident	77.8	Confident	11 Å²	11	61.2 Å²	61.2	5%	0.051	35%	0.345	C	S	.	.	H	α-helix	trans	-54.8	-55.3	174.4	175.7	-172.7	-152.5	0	0	111	Y143 N204 R209 E255 T261 K262 I263	Y143-E259 HydrophobicContact CE2-CG 4.04Å; Y143-E259 VanDerWaalsContact CE2-OE1 3.28Å; Y143-E259 WeakPolarHBondContact CE2-OE1 3.49Å; Y143-E259 VanDerWaalsContact OH-CD 3.23Å; Y143-E259 PolarHBondContact OH-OE1 3.12Å; N204-E259 PolarHBondContact ND2-OE2 3.11Å; R209-E259 WeakPolarHBondContact CD-OE1 3.49Å; R209-E259 IonicContact CZ-OE2 2.67Å; R209-E259 IonicContact NH1-OE1 2.98Å; R209-E259 IonicContact NH1-OE2 3.23Å; R209-E259 PolarHBondContact NH1-OE2 3.14Å; E255-E259 WeakPolarHBondContact O-CB 3.39Å; E255-E259 PolarHBondContact O-N 3.32Å; E259-T261 VanDerWaalsContact C-N 3.3Å; E259-T261 PolarHBondContact O-N 2.9Å; E259-K262 PolarHBondContact O-N 3.16Å; E259-K262 VanDerWaalsContact O-N 3.07Å; E259-I263 HydrophobicContact CG-CD1 3.95Å; E259-I263 WeakPolarHBondContact O-CG1 3.48Å; E259-I263 PolarHBondContact O-N 3.5Å
260	A	75.1	Confident	79.3	Confident	13 Å²	13	56.6 Å²	56.6	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-33.1	177.3	0	0	0	0	0	113.4	Q247 R256 L257 K262 N264	Q247-A260 HydrophobicContact CG-CB 4.24Å; Q247-A260 VanDerWaalsContact NE2-C 3.35Å; Q247-A260 VanDerWaalsContact NE2-CB 3.29Å; R256-A260 VanDerWaalsContact O-CB 3.25Å; R256-A260 WeakPolarHBondContact O-CB 3.29Å; R256-A260 PolarHBondContact O-N 2.61Å; L257-A260 PolarHBondContact O-N 3.39Å; A260-K262 VanDerWaalsContact C-N 3.35Å; A260-N264 WeakPolarHBondContact O-CB 3.2Å; A260-N264 PolarHBondContact O-N 2.8Å; A260-N264 PolarHBondContact O-OD1 2.87Å
261	T	80.6	Confident	80.7	Confident	69 Å²	69	54 Å²	54	42%	0.423	31%	0.311	S	S	.	.	H	α-helix	trans	-68.2	-35.1	174.6	-61.8	0	0	0	0	111.4	Q247 L257 K258 E259 L265	Q247-T261 PolarHBondContact NE2-OG1 2.92Å; Q247-T261 PolarHBondContact OE1-OG1 2.85Å; L257-T261 WeakPolarHBondContact O-CB 3.49Å; L257-T261 PolarHBondContact O-N 3.34Å; L257-T261 PolarHBondContact O-OG1 3.46Å; K258-T261 PolarHBondContact O-N 3.12Å; E259-T261 VanDerWaalsContact C-N 3.3Å; E259-T261 PolarHBondContact O-N 2.9Å; T261-L265 VanDerWaalsContact O-CB 3.27Å; T261-L265 WeakPolarHBondContact O-CB 3.41Å; T261-L265 PolarHBondContact O-N 2.97Å
262	K	82.9	Confident	82	Confident	85 Å²	85	54.6 Å²	54.6	37%	0.37	30%	0.298	S	S	.	.	H	α-helix	trans	-73.7	-38.4	175.4	-76.5	-70.7	-170.5	173.9	0	113	E145 K258 E259 A260 L265 S266	E145-K262 HydrophobicContact CG-CD 4.25Å; K258-K262 PolarHBondContact O-N 3.09Å; E259-K262 PolarHBondContact O-N 3.16Å; E259-K262 VanDerWaalsContact O-N 3.07Å; A260-K262 VanDerWaalsContact C-N 3.35Å; K262-L265 HydrophobicContact CD-CD2 4.14Å; K262-L265 PolarHBondContact O-N 3.48Å; K262-S266 PolarHBondContact O-N 2.85Å; K262-S266 VanDerWaalsContact O-N 3.09Å
263	I	80.5	Confident	83.4	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.072	29%	0.291	C	S	.	.	H	α-helix	trans	-57.3	-54.3	170.7	-68.8	157.1	0	0	0	109.7	R209 A242 E259 L265 S266 L267	R209-I263 HydrophobicContact CB-CD1 3.69Å; R209-I263 HydrophobicContact CG-CD1 3.99Å; R209-I263 VanDerWaalsContact O-CD1 3.29Å; R209-I263 WeakPolarHBondContact O-CD1 3.33Å; R209-I263 WeakPolarHBondContact O-CG1 3.37Å; A242-I263 HydrophobicContact CB-CG2 3.55Å; E259-I263 HydrophobicContact CG-CD1 3.95Å; E259-I263 WeakPolarHBondContact O-CG1 3.48Å; E259-I263 PolarHBondContact O-N 3.5Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 PolarHBondContact O-N 2.78Å; I263-S266 PolarHBondContact O-N 3.23Å; I263-S266 VanDerWaalsContact O-N 3.13Å; I263-S266 PolarHBondContact O-OG 2.75Å; I263-L267 PolarHBondContact O-N 3.02Å
264	N	80.7	Confident	84.4	Confident	37 Å²	37	48.6 Å²	48.6	20%	0.198	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-37.3	-177.8	-70.7	31.6	0	0	0	111.7	E245 A260 S266 L267 S268	E245-N264 PolarHBondContact O-ND2 3.46Å; A260-N264 WeakPolarHBondContact O-CB 3.2Å; A260-N264 PolarHBondContact O-N 2.8Å; A260-N264 PolarHBondContact O-OD1 2.87Å; N264-S266 VanDerWaalsContact C-N 3.33Å; N264-S266 PolarHBondContact O-N 3.26Å; N264-L267 PolarHBondContact O-N 3.23Å; N264-S268 WeakPolarHBondContact O-CB 3.43Å; N264-S268 PolarHBondContact O-N 2.83Å; N264-S268 PolarHBondContact O-OG 2.96Å; N264-S268 VanDerWaalsContact O-OG 3.13Å
265	L	86.9	Confident	85	Confident	81 Å²	81	47.6 Å²	47.6	42%	0.424	24%	0.244	S	C	.	.	H	α-helix	trans	-54.7	-46.3	171.7	178.6	66.6	0	0	0	112.1	T261 K262 I263 L267 S268 A269	T261-L265 VanDerWaalsContact O-CB 3.27Å; T261-L265 WeakPolarHBondContact O-CB 3.41Å; T261-L265 PolarHBondContact O-N 2.97Å; K262-L265 HydrophobicContact CD-CD2 4.14Å; K262-L265 PolarHBondContact O-N 3.48Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 PolarHBondContact O-N 2.78Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.72Å; L265-S268 PolarHBondContact O-N 2.88Å; L265-A269 WeakPolarHBondContact O-CB 3.28Å; L265-A269 PolarHBondContact O-N 2.83Å
266	S	90.7	Very high	86	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-66.5	-31.9	-178.4	71.1	0	0	0	0	113.5	E145 H211 K262 I263 N264 L270	E145-S266 WeakPolarHBondContact OE1-CB 3.42Å; H211-S266 PolarHBondContact NE2-OG 3.14Å; K262-S266 PolarHBondContact O-N 2.85Å; K262-S266 VanDerWaalsContact O-N 3.09Å; I263-S266 PolarHBondContact O-N 3.23Å; I263-S266 VanDerWaalsContact O-N 3.13Å; I263-S266 PolarHBondContact O-OG 2.75Å; N264-S266 VanDerWaalsContact C-N 3.33Å; N264-S266 PolarHBondContact O-N 3.26Å; S266-L270 PolarHBondContact O-N 2.77Å
267	L	90.1	Very high	87	Confident	10 Å²	10	37.6 Å²	37.6	5%	0.052	21%	0.205	C	C	.	.	H	α-helix	trans	-82.2	-34.3	175.2	-69.1	179.2	0	0	0	112.9	Y90 L241 G243 I263 N264 L265 L270 G271 L292	Y90-L267 HydrophobicContact CD2-CD2 4.46Å; Y90-L267 HydrophobicContact CE2-CD2 4.18Å; L241-L267 HydrophobicContact CD1-CD2 4.34Å; G243-L267 WeakPolarHBondContact O-CD1 3.45Å; I263-L267 PolarHBondContact O-N 3.02Å; N264-L267 PolarHBondContact O-N 3.23Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.72Å; L267-L270 HydrophobicContact CD2-CD2 4.35Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 3.08Å; L267-G271 PolarHBondContact O-N 3.06Å; L267-L292 HydrophobicContact CD2-CD2 4.25Å
268	S	89.5	Confident	87.6	Confident	69 Å²	69	36.2 Å²	36.2	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-42.3	169.1	-68.1	0	0	0	0	111.1	N264 L265 L270 G271 N272	N264-S268 WeakPolarHBondContact O-CB 3.43Å; N264-S268 PolarHBondContact O-N 2.83Å; N264-S268 PolarHBondContact O-OG 2.96Å; N264-S268 VanDerWaalsContact O-OG 3.13Å; L265-S268 PolarHBondContact O-N 2.88Å; S268-L270 VanDerWaalsContact C-N 3.33Å; S268-L270 PolarHBondContact O-N 3.3Å; S268-G271 CarbonylContact O-C 3.44Å; S268-G271 WeakPolarHBondContact O-CA 3.29Å; S268-G271 PolarHBondContact O-N 3.08Å; S268-G271 VanDerWaalsContact O-N 3.12Å; S268-N272 VanDerWaalsContact O-CG 3.24Å; S268-N272 PolarHBondContact O-N 3Å; S268-N272 PolarHBondContact O-OD1 2.83Å
269	A	93.4	Very high	88	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-43.6	171.7	0	0	0	0	0	111.9	L265 G271 N272 V273 D289 T293	L265-A269 WeakPolarHBondContact O-CB 3.28Å; L265-A269 PolarHBondContact O-N 2.83Å; A269-G271 VanDerWaalsContact C-N 3.33Å; A269-G271 PolarHBondContact O-N 3.34Å; A269-N272 PolarHBondContact O-N 3.25Å; A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 3.01Å; A269-D289 HydrophobicContact CB-CB 3.7Å; A269-T293 HydrophobicContact CB-CG2 4.14Å
270	L	94.2	Very high	88.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-42.1	174.3	-161.9	72	0	0	0	111.3	L241 S266 L267 S268 V273 I274 L292 T293 L296 L300 Y328	L241-L270 HydrophobicContact CD1-CD2 3.98Å; S266-L270 PolarHBondContact O-N 2.77Å; L267-L270 HydrophobicContact CD2-CD2 4.35Å; L267-L270 WeakPolarHBondContact O-CB 3.4Å; L267-L270 PolarHBondContact O-N 3.08Å; S268-L270 VanDerWaalsContact C-N 3.33Å; S268-L270 PolarHBondContact O-N 3.3Å; L270-V273 PolarHBondContact O-N 2.79Å; L270-I274 WeakPolarHBondContact O-CG1 3.24Å; L270-I274 PolarHBondContact O-N 3.48Å; L270-L292 HydrophobicContact CD1-CD2 4.49Å; L270-L292 HydrophobicContact CD2-CD2 4.25Å; L270-T293 HydrophobicContact CB-CG2 4.13Å; L270-T293 HydrophobicContact CD1-CG2 3.83Å; L270-L296 HydrophobicContact CD1-CD1 4.21Å; L270-L300 HydrophobicContact CD1-CD1 3.67Å; L270-Y328 WeakPolarHBondContact CB-OH 3.19Å; L270-Y328 WeakPolarHBondContact CD2-OH 3.47Å; L270-Y328 WeakPolarHBondContact CG-OH 3.45Å
271	G	92.1	Very high	88.6	Confident	10 Å²	10	44.5 Å²	44.5	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-36.2	174.6	0	0	0	0	0	114.3	L267 S268 A269 S275 Y328	L267-G271 PolarHBondContact O-N 3.06Å; S268-G271 CarbonylContact O-C 3.44Å; S268-G271 WeakPolarHBondContact O-CA 3.29Å; S268-G271 PolarHBondContact O-N 3.08Å; S268-G271 VanDerWaalsContact O-N 3.12Å; A269-G271 VanDerWaalsContact C-N 3.33Å; A269-G271 PolarHBondContact O-N 3.34Å; G271-S275 VanDerWaalsContact O-CB 3.32Å; G271-S275 WeakPolarHBondContact O-CB 3.45Å; G271-S275 PolarHBondContact O-N 3.45Å; G271-S275 PolarHBondContact O-OG 3Å; G271-Y328 VanDerWaalsContact CA-CE2 3.46Å; G271-Y328 PolarHBondContact N-OH 3.25Å
272	N	92.7	Very high	88.5	Confident	77 Å²	77	43.9 Å²	43.9	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-44.2	174.2	-67.9	-10.5	0	0	0	110.9	S268 A269 S275 A276 P286	S268-N272 VanDerWaalsContact O-CG 3.24Å; S268-N272 PolarHBondContact O-N 3Å; S268-N272 PolarHBondContact O-OD1 2.83Å; A269-N272 PolarHBondContact O-N 3.25Å; N272-S275 PolarHBondContact O-N 2.88Å; N272-A276 VanDerWaalsContact O-CB 3.25Å; N272-A276 WeakPolarHBondContact O-CB 3.5Å; N272-A276 PolarHBondContact O-N 2.83Å; N272-P286 HydrophobicContact CB-CG 4.01Å
273	V	94.8	Very high	88.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-49.8	174.1	164.9	0	0	0	0	111.2	A269 L270 A276 L277 I285 P286 Y287 T293 L300	A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 3.01Å; L270-V273 PolarHBondContact O-N 2.79Å; V273-A276 PolarHBondContact O-N 2.87Å; V273-L277 HydrophobicContact CG1-CD1 3.81Å; V273-L277 WeakPolarHBondContact O-CB 3.42Å; V273-L277 VanDerWaalsContact O-CG 3.3Å; V273-L277 WeakPolarHBondContact O-CG 3.33Å; V273-L277 PolarHBondContact O-N 3.1Å; V273-I285 HydrophobicContact CB-CG2 4.31Å; V273-I285 HydrophobicContact CG1-CG2 3.88Å; V273-I285 HydrophobicContact CG2-CG2 4.22Å; V273-P286 HydrophobicContact CG2-CG 3.99Å; V273-P286 WeakPolarHBondContact CG2-O 3.39Å; V273-Y287 HydrophobicContact CG1-CD1 3.83Å; V273-Y287 HydrophobicContact CG1-CE1 3.61Å; V273-Y287 HydrophobicContact CG2-CD1 4.11Å; V273-T293 HydrophobicContact CB-CG2 4.33Å; V273-T293 HydrophobicContact CG2-CG2 3.76Å; V273-L300 HydrophobicContact CG1-CB 4.46Å; V273-L300 HydrophobicContact CG1-CD1 4.2Å
274	I	93.5	Very high	89.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-45.4	178.6	-70.1	-168.2	0	0	0	111.4	L270 L277 V278 L300 Y328 R331 A332 I335	L270-I274 WeakPolarHBondContact O-CG1 3.24Å; L270-I274 PolarHBondContact O-N 3.48Å; I274-L277 PolarHBondContact O-N 2.95Å; I274-V278 VanDerWaalsContact O-CG2 3.25Å; I274-V278 WeakPolarHBondContact O-CG2 3.49Å; I274-V278 PolarHBondContact O-N 3.09Å; I274-V278 VanDerWaalsContact O-N 3.12Å; I274-L300 HydrophobicContact CG1-CD1 4.39Å; I274-Y328 HydrophobicContact CD1-CD1 4.42Å; I274-Y328 HydrophobicContact CD1-CE1 3.57Å; I274-R331 HydrophobicContact CG2-CB 3.98Å; I274-A332 HydrophobicContact CD1-CB 4Å; I274-A332 HydrophobicContact CG2-CB 4.36Å; I274-I335 HydrophobicContact CB-CD1 4.2Å; I274-I335 HydrophobicContact CD1-CD1 4.08Å; I274-I335 HydrophobicContact CG1-CD1 3.71Å; I274-I335 HydrophobicContact CG2-CD1 4.04Å
275	S	91.7	Very high	89.7	Confident	35 Å²	35	56.3 Å²	56.3	25%	0.245	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-44.9	-179.8	-54.4	0	0	0	0	110.9	G271 N272 L277 V278 D279	G271-S275 VanDerWaalsContact O-CB 3.32Å; G271-S275 WeakPolarHBondContact O-CB 3.45Å; G271-S275 PolarHBondContact O-N 3.45Å; G271-S275 PolarHBondContact O-OG 3Å; N272-S275 PolarHBondContact O-N 2.88Å; S275-L277 VanDerWaalsContact C-N 3.34Å; S275-L277 PolarHBondContact O-N 2.76Å; S275-V278 PolarHBondContact O-N 2.99Å; S275-D279 WeakPolarHBondContact O-CB 3.5Å; S275-D279 PolarHBondContact O-N 3.12Å
276	A	93.4	Very high	90.1	Very high	11 Å²	11	53.5 Å²	53.5	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-35.7	177.3	0	0	0	0	0	113.6	N272 V273 C282 I285	N272-A276 VanDerWaalsContact O-CB 3.25Å; N272-A276 WeakPolarHBondContact O-CB 3.5Å; N272-A276 PolarHBondContact O-N 2.83Å; V273-A276 PolarHBondContact O-N 2.87Å; A276-C282 HydrophobicContact CB-CB 3.91Å; A276-I285 HydrophobicContact CB-CD1 3.77Å
277	L	92.4	Very high	90.3	Very high	42 Å²	42	55.2 Å²	55.2	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-35.8	176.5	-79.2	166.9	0	0	0	113.1	V273 I274 S275 I285 L300 I335	V273-L277 HydrophobicContact CG1-CD1 3.81Å; V273-L277 WeakPolarHBondContact O-CB 3.42Å; V273-L277 VanDerWaalsContact O-CG 3.3Å; V273-L277 WeakPolarHBondContact O-CG 3.33Å; V273-L277 PolarHBondContact O-N 3.1Å; I274-L277 PolarHBondContact O-N 2.95Å; S275-L277 VanDerWaalsContact C-N 3.34Å; S275-L277 PolarHBondContact O-N 2.76Å; L277-I285 HydrophobicContact CD1-CG2 4.43Å; L277-I285 HydrophobicContact CD2-CD1 4.04Å; L277-I285 HydrophobicContact CD2-CG1 3.96Å; L277-I285 HydrophobicContact CD2-CG2 4.32Å; L277-I285 HydrophobicContact CG-CD1 4.15Å; L277-I285 HydrophobicContact CG-CG1 4.34Å; L277-I285 HydrophobicContact CG-CG2 3.98Å; L277-L300 HydrophobicContact CD1-CB 3.97Å; L277-L300 WeakPolarHBondContact CD1-O 3.39Å; L277-I335 HydrophobicContact CB-CG1 4.21Å; L277-I335 HydrophobicContact CB-CG2 4.48Å; L277-I335 HydrophobicContact CD1-CD1 4.37Å; L277-I335 HydrophobicContact CD1-CG2 4.08Å
278	V	91.2	Very high	90.5	Very high	49 Å²	49	62.5 Å²	62.5	30%	0.297	32%	0.324	S	S	.	.	H	α-helix	trans	-82.7	-33.1	-178.2	175.6	0	0	0	0	111.5	I274 S275 G280 R331 N334 I335	I274-V278 VanDerWaalsContact O-CG2 3.25Å; I274-V278 WeakPolarHBondContact O-CG2 3.49Å; I274-V278 PolarHBondContact O-N 3.09Å; I274-V278 VanDerWaalsContact O-N 3.12Å; S275-V278 PolarHBondContact O-N 2.99Å; V278-G280 VanDerWaalsContact C-N 3.25Å; V278-G280 PolarHBondContact O-N 3.43Å; V278-R331 WeakPolarHBondContact CG2-O 3.36Å; V278-N334 HydrophobicContact CG1-CB 3.84Å; V278-N334 HydrophobicContact CG2-CB 4.05Å; V278-I335 HydrophobicContact CG2-CG1 3.85Å
279	D	86.8	Confident	90.7	Very high	73 Å²	73	63.3 Å²	63.3	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-29	-179.2	-118.3	49	0	0	0	113.9	S275 R281	S275-D279 WeakPolarHBondContact O-CB 3.5Å; S275-D279 PolarHBondContact O-N 3.12Å; D279-R281 WeakPolarHBondContact O-CG 3.44Å; D279-R281 PolarHBondContact O-N 3.27Å; D279-R281 IonicContact OD1-NH2 3.52Å; D279-R281 IonicContact OD2-CZ 3.35Å; D279-R281 IonicContact OD2-NE 2.75Å; D279-R281 PolarHBondContact OD2-NE 3.01Å; D279-R281 IonicContact OD2-NH2 3.93Å; D279-R281 PolarHBondContact OD2-NH2 3.24Å
280	G	78.9	Confident	90.7	Very high	69 Å²	69	63.3 Å²	63.3	71%	0.711	32%	0.322	S	S	*	.	S	Bend	trans	65.9	-21.9	-175.6	0	0	0	0	0	115.7	V278 C282	V278-G280 VanDerWaalsContact C-N 3.25Å; V278-G280 PolarHBondContact O-N 3.43Å; G280-C282 VanDerWaalsContact C-N 3.34Å
281	R	83	Confident	90.7	Very high	199 Å²	199	65.9 Å²	65.9	75%	0.751	33%	0.333	S	S	*	.			trans	-72.4	-23.9	179.2	-62.9	-179.1	-68.3	-163.8	-0.7	113.3	D279 K283	D279-R281 WeakPolarHBondContact O-CG 3.44Å; D279-R281 PolarHBondContact O-N 3.27Å; D279-R281 IonicContact OD1-NH2 3.52Å; D279-R281 IonicContact OD2-CZ 3.35Å; D279-R281 IonicContact OD2-NE 2.75Å; D279-R281 PolarHBondContact OD2-NE 3.01Å; D279-R281 IonicContact OD2-NH2 3.93Å; D279-R281 PolarHBondContact OD2-NH2 3.24Å; R281-K283 PolarHBondContact O-N 3.35Å
282	C	79.3	Confident	90.8	Very high	55 Å²	55	65.4 Å²	65.4	37%	0.372	33%	0.328	S	S	.	.			trans	-84.8	105.7	-173.1	-65.7	0	0	0	0	111.7	A276 G280 H284 I285	A276-C282 HydrophobicContact CB-CB 3.91Å; G280-C282 VanDerWaalsContact C-N 3.34Å; C282-H284 PolarHBondContact O-N 3.38Å; C282-I285 HydrophobicContact CB-CD1 4.32Å
283	K	84.9	Confident	90.9	Very high	222 Å²	222	61.8 Å²	61.8	97%	0.965	31%	0.309	S	S	*	.	S	Bend	trans	-66.1	-19.9	174.5	-68.1	-171.9	177.7	-175.5	0	114.3	R281	R281-K283 PolarHBondContact O-N 3.35Å
284	H	91.7	Very high	90.9	Very high	145 Å²	145	64 Å²	64	67%	0.671	32%	0.318	S	S	*	.	S	Bend	trans	-126.8	130.3	179.4	175.8	-85.6	0	0	0	108.9	C282	C282-H284 PolarHBondContact O-N 3.38Å
285	I	93.2	Very high	90.9	Very high	31 Å²	31	65.3 Å²	65.3	16%	0.159	32%	0.324	C	S	.	.			trans	-104.3	128.7	178.9	-52.5	-57.8	0	0	0	108.4	V273 A276 L277 C282 Y287	V273-I285 HydrophobicContact CB-CG2 4.31Å; V273-I285 HydrophobicContact CG1-CG2 3.88Å; V273-I285 HydrophobicContact CG2-CG2 4.22Å; A276-I285 HydrophobicContact CB-CD1 3.77Å; L277-I285 HydrophobicContact CD1-CG2 4.43Å; L277-I285 HydrophobicContact CD2-CD1 4.04Å; L277-I285 HydrophobicContact CD2-CG1 3.96Å; L277-I285 HydrophobicContact CD2-CG2 4.32Å; L277-I285 HydrophobicContact CG-CD1 4.15Å; L277-I285 HydrophobicContact CG-CG1 4.34Å; L277-I285 HydrophobicContact CG-CG2 3.98Å; C282-I285 HydrophobicContact CB-CD1 4.32Å; I285-Y287 HydrophobicContact CB-CD2 3.92Å; I285-Y287 HydrophobicContact CB-CE2 3.51Å; I285-Y287 HydrophobicContact CG1-CE2 4.27Å; I285-Y287 HydrophobicContact CG2-CD1 4.22Å; I285-Y287 HydrophobicContact CG2-CD2 3.93Å; I285-Y287 HydrophobicContact CG2-CE1 3.86Å; I285-Y287 HydrophobicContact CG2-CE2 3.54Å; I285-Y287 HydrophobicContact CG2-CG 4.26Å; I285-Y287 VanDerWaalsContact CG2-CZ 3.5Å; I285-Y287 PolarHBondContact O-N 2.95Å
286	P	94.1	Very high	91.1	Very high	21 Å²	21	63.8 Å²	63.8	14%	0.136	31%	0.313	C	S	.	.			trans	-79.4	50.3	-168.7	32.5	-37	0	0	0	114.2	N272 V273 R288 D289	N272-P286 HydrophobicContact CB-CG 4.01Å; V273-P286 HydrophobicContact CG2-CG 3.99Å; V273-P286 WeakPolarHBondContact CG2-O 3.39Å; P286-R288 PolarHBondContact O-N 2.84Å; P286-D289 PolarHBondContact O-N 2.93Å
287	Y	95	Very high	91.1	Very high	37 Å²	37	65.2 Å²	65.2	15%	0.145	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.2	179.5	-60.5	-71.7	0	0	0	114.3	V273 I285 T293 R294 Q297 L300	V273-Y287 HydrophobicContact CG1-CD1 3.83Å; V273-Y287 HydrophobicContact CG1-CE1 3.61Å; V273-Y287 HydrophobicContact CG2-CD1 4.11Å; I285-Y287 HydrophobicContact CB-CD2 3.92Å; I285-Y287 HydrophobicContact CB-CE2 3.51Å; I285-Y287 HydrophobicContact CG1-CE2 4.27Å; I285-Y287 HydrophobicContact CG2-CD1 4.22Å; I285-Y287 HydrophobicContact CG2-CD2 3.93Å; I285-Y287 HydrophobicContact CG2-CE1 3.86Å; I285-Y287 HydrophobicContact CG2-CE2 3.54Å; I285-Y287 HydrophobicContact CG2-CG 4.26Å; I285-Y287 VanDerWaalsContact CG2-CZ 3.5Å; I285-Y287 PolarHBondContact O-N 2.95Å; Y287-T293 CarbonylContact O-C 3.6Å; Y287-T293 VanDerWaalsContact O-C 3.27Å; Y287-T293 WeakPolarHBondContact O-CB 3.49Å; Y287-T293 PolarHBondContact O-OG1 3.43Å; Y287-R294 WeakPolarHBondContact O-CA 3.44Å; Y287-R294 WeakPolarHBondContact O-CG 3.47Å; Y287-R294 PolarHBondContact O-N 2.9Å; Y287-Q297 HydrophobicContact CD1-CB 3.98Å; Y287-Q297 HydrophobicContact CD1-CG 3.88Å; Y287-Q297 HydrophobicContact CD2-CG 3.84Å; Y287-Q297 HydrophobicContact CE1-CB 4.36Å; Y287-Q297 HydrophobicContact CE1-CG 4.09Å; Y287-Q297 HydrophobicContact CE2-CG 4.05Å; Y287-Q297 HydrophobicContact CG-CB 4.19Å; Y287-Q297 HydrophobicContact CG-CG 3.75Å; Y287-L300 WeakPolarHBondContact CE1-O 3.4Å; Y287-L300 PolarHBondContact OH-O 3.24Å
288	R	94.3	Very high	91.1	Very high	164 Å²	164	65.7 Å²	65.7	62%	0.619	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.4	-176.9	-70.4	-177.9	170.6	173.7	-3.1	113.8	E163 P286 S290 R294	E163-R288 IonicContact OE1-NH2 2.67Å; E163-R288 IonicContact OE2-CZ 2.86Å; E163-R288 IonicContact OE2-NE 3.73Å; E163-R288 IonicContact OE2-NH2 3.68Å; E163-R288 PolarHBondContact OE2-NH2 3.45Å; P286-R288 PolarHBondContact O-N 2.84Å; R288-S290 VanDerWaalsContact C-N 3.29Å; R288-S290 PolarHBondContact O-N 2.97Å; R288-R294 HydrophobicContact CG-CG 4.31Å
289	D	93.1	Very high	91.2	Very high	86 Å²	86	63.4 Å²	63.4	46%	0.46	31%	0.308	S	S	.	.	S	Bend	trans	-69.4	-22.7	-178.7	-72.6	21.3	0	0	0	113.3	A269 P286	A269-D289 HydrophobicContact CB-CB 3.7Å; P286-D289 PolarHBondContact O-N 2.93Å
290	S	94	Very high	91.5	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.014	29%	0.29	C	S	.	.			trans	-146.4	156.1	172.8	69	0	0	0	0	113.6	E145 R288 L292 T293 R294	E145-S290 VanDerWaalsContact OE2-CA 3.24Å; E145-S290 WeakPolarHBondContact OE2-CA 3.45Å; R288-S290 VanDerWaalsContact C-N 3.29Å; R288-S290 PolarHBondContact O-N 2.97Å; S290-L292 PolarHBondContact O-N 3.34Å; S290-T293 PolarHBondContact N-OG1 2.68Å; S290-T293 VanDerWaalsContact N-OG1 3.08Å; S290-T293 PolarHBondContact O-N 3.2Å; S290-T293 PolarHBondContact O-OG1 2.93Å; S290-T293 WeakPolarHBondContact OG-CG2 3.35Å; S290-T293 PolarHBondContact OG-N 3.12Å; S290-T293 VanDerWaalsContact OG-N 3.09Å; S290-T293 PolarHBondContact OG-OG1 2.71Å; S290-R294 PolarHBondContact O-N 2.85Å; S290-R294 VanDerWaalsContact O-N 3.08Å
291	K	94	Very high	92	Very high	54 Å²	54	58 Å²	58	24%	0.235	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-37	171.6	-60.5	-59.8	178.4	61	0	111.5	I142 E145 V147 L161 R294 L295	I142-K291 HydrophobicContact CG2-CB 4.03Å; E145-K291 WeakPolarHBondContact O-CE 3.46Å; E145-K291 WeakPolarHBondContact O-CG 3.28Å; E145-K291 PolarHBondContact O-NZ 3.21Å; E145-K291 WeakPolarHBondContact OE2-CG 3.45Å; E145-K291 PolarHBondContact OE2-N 2.98Å; V147-K291 HydrophobicContact CG2-CB 4.21Å; V147-K291 HydrophobicContact CG2-CG 4.27Å; L161-K291 HydrophobicContact CD1-CB 3.97Å; L161-K291 HydrophobicContact CD1-CD 3.66Å; L161-K291 HydrophobicContact CD1-CG 4.38Å; L161-K291 HydrophobicContact CG-CD 4.07Å; K291-R294 PolarHBondContact O-N 3.34Å; K291-L295 PolarHBondContact O-N 3.32Å
292	L	94.5	Very high	92.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-49.5	176.6	179	67.6	0	0	0	111.7	I142 H211 L241 L267 L270 S290 R294 L295 L296	I142-L292 HydrophobicContact CD1-CB 3.97Å; I142-L292 HydrophobicContact CD1-CD1 3.96Å; H211-L292 HydrophobicContact CB-CD1 4.25Å; L241-L292 HydrophobicContact CD2-CD1 3.75Å; L241-L292 HydrophobicContact CD2-CD2 3.94Å; L241-L292 HydrophobicContact CD2-CG 4.46Å; L267-L292 HydrophobicContact CD2-CD2 4.25Å; L270-L292 HydrophobicContact CD1-CD2 4.49Å; L270-L292 HydrophobicContact CD2-CD2 4.25Å; S290-L292 PolarHBondContact O-N 3.34Å; L292-R294 VanDerWaalsContact C-N 3.33Å; L292-R294 PolarHBondContact O-N 3.09Å; L292-L295 PolarHBondContact O-N 2.79Å; L292-L296 HydrophobicContact CD1-CD1 3.72Å; L292-L296 HydrophobicContact CD1-CG 4.27Å; L292-L296 HydrophobicContact CG-CD1 4.14Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 3.44Å
293	T	95.3	Very high	93	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-31.3	-179.6	44.9	0	0	0	0	112.8	A269 L270 V273 Y287 S290 Q297	A269-T293 HydrophobicContact CB-CG2 4.14Å; L270-T293 HydrophobicContact CB-CG2 4.13Å; L270-T293 HydrophobicContact CD1-CG2 3.83Å; V273-T293 HydrophobicContact CB-CG2 4.33Å; V273-T293 HydrophobicContact CG2-CG2 3.76Å; Y287-T293 CarbonylContact O-C 3.6Å; Y287-T293 VanDerWaalsContact O-C 3.27Å; Y287-T293 WeakPolarHBondContact O-CB 3.49Å; Y287-T293 PolarHBondContact O-OG1 3.43Å; S290-T293 PolarHBondContact N-OG1 2.68Å; S290-T293 VanDerWaalsContact N-OG1 3.08Å; S290-T293 PolarHBondContact O-N 3.2Å; S290-T293 PolarHBondContact O-OG1 2.93Å; S290-T293 WeakPolarHBondContact OG-CG2 3.35Å; S290-T293 PolarHBondContact OG-N 3.12Å; S290-T293 VanDerWaalsContact OG-N 3.09Å; S290-T293 PolarHBondContact OG-OG1 2.71Å; T293-Q297 PolarHBondContact O-N 3.07Å; T293-Q297 VanDerWaalsContact O-N 3.12Å
294	R	94.4	Very high	93.5	Very high	47 Å²	47	37.3 Å²	37.3	18%	0.177	18%	0.183	C	C	.	.	H	α-helix	trans	-65.4	-43.4	170.5	-70	-173.2	63.9	-159.8	-8.7	112.6	L161 V169 Y287 R288 S290 K291 L292 Q297	L161-R294 HydrophobicContact CD1-CB 3.85Å; L161-R294 PolarHBondContact O-NH2 3.18Å; V169-R294 WeakPolarHBondContact CB-O 3.26Å; V169-R294 HydrophobicContact CG1-CB 4.31Å; Y287-R294 WeakPolarHBondContact O-CA 3.44Å; Y287-R294 WeakPolarHBondContact O-CG 3.47Å; Y287-R294 PolarHBondContact O-N 2.9Å; R288-R294 HydrophobicContact CG-CG 4.31Å; S290-R294 PolarHBondContact O-N 2.85Å; S290-R294 VanDerWaalsContact O-N 3.08Å; K291-R294 PolarHBondContact O-N 3.34Å; L292-R294 VanDerWaalsContact C-N 3.33Å; L292-R294 PolarHBondContact O-N 3.09Å; R294-Q297 WeakPolarHBondContact O-CB 3.3Å; R294-Q297 PolarHBondContact O-N 3.1Å
295	L	94.7	Very high	93.7	Very high	28 Å²	28	32 Å²	32	15%	0.147	16%	0.158	C	C	.	.	H	α-helix	trans	-72.4	-26.8	179.6	-79.5	168.1	0	0	0	113.5	L140 I142 L161 V169 V171 I213 K291 L292	L140-L295 HydrophobicContact CD2-CD1 4.49Å; I142-L295 HydrophobicContact CD1-CD1 3.74Å; I142-L295 HydrophobicContact CG1-CD1 4.34Å; L161-L295 HydrophobicContact CD1-CD1 4.43Å; L161-L295 HydrophobicContact CD1-CG 4.07Å; L161-L295 HydrophobicContact CD2-CD1 3.99Å; L161-L295 HydrophobicContact CD2-CD2 3.77Å; L161-L295 HydrophobicContact CD2-CG 3.85Å; V169-L295 HydrophobicContact CG1-CD2 4.46Å; V171-L295 HydrophobicContact CG2-CD2 3.9Å; I213-L295 HydrophobicContact CD1-CB 4.4Å; I213-L295 HydrophobicContact CD1-CD1 4.35Å; K291-L295 PolarHBondContact O-N 3.32Å; L292-L295 PolarHBondContact O-N 2.79Å
296	L	94.9	Very high	93.9	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	11.8	177.1	-60.1	-178.6	0	0	0	113.6	T86 V239 L270 L292 D298 S299 L300	T86-L296 HydrophobicContact CG2-CD2 4.41Å; V239-L296 HydrophobicContact CG2-CD2 4.18Å; L270-L296 HydrophobicContact CD1-CD1 4.21Å; L292-L296 HydrophobicContact CD1-CD1 3.72Å; L292-L296 HydrophobicContact CD1-CG 4.27Å; L292-L296 HydrophobicContact CG-CD1 4.14Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 3.44Å; L296-D298 PolarHBondContact O-N 3.13Å; L296-S299 WeakPolarHBondContact O-CA 3.25Å; L296-S299 WeakPolarHBondContact O-CB 3.4Å; L296-S299 PolarHBondContact O-N 2.72Å; L296-L300 HydrophobicContact CB-CD1 4.5Å; L296-L300 PolarHBondContact O-N 3.5Å; L296-L300 VanDerWaalsContact O-N 3.12Å
297	Q	93.7	Very high	94	Very high	41 Å²	41	29.9 Å²	29.9	19%	0.192	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-45.9	179.9	-178.9	173.6	-61.7	0	0	112.1	Y287 T293 R294 S299 L300	Y287-Q297 HydrophobicContact CD1-CB 3.98Å; Y287-Q297 HydrophobicContact CD1-CG 3.88Å; Y287-Q297 HydrophobicContact CD2-CG 3.84Å; Y287-Q297 HydrophobicContact CE1-CB 4.36Å; Y287-Q297 HydrophobicContact CE1-CG 4.09Å; Y287-Q297 HydrophobicContact CE2-CG 4.05Å; Y287-Q297 HydrophobicContact CG-CB 4.19Å; Y287-Q297 HydrophobicContact CG-CG 3.75Å; T293-Q297 PolarHBondContact O-N 3.07Å; T293-Q297 VanDerWaalsContact O-N 3.12Å; R294-Q297 WeakPolarHBondContact O-CB 3.3Å; R294-Q297 PolarHBondContact O-N 3.1Å; Q297-S299 VanDerWaalsContact C-N 3.26Å; Q297-S299 PolarHBondContact O-N 2.74Å; Q297-L300 PolarHBondContact O-N 2.72Å
298	D	91.8	Very high	94.1	Very high	52 Å²	52	28.1 Å²	28.1	28%	0.278	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23	176	-67.5	-51.3	0	0	0	113.1	L296 G302 N303 T304	L296-D298 PolarHBondContact O-N 3.13Å; D298-G302 CarbonylContact O-C 3.59Å; D298-G302 VanDerWaalsContact O-C 3.3Å; D298-G302 VanDerWaalsContact O-CA 3.29Å; D298-G302 WeakPolarHBondContact O-CA 3.29Å; D298-N303 PolarHBondContact O-N 2.66Å; D298-T304 VanDerWaalsContact C-OG1 3.23Å; D298-T304 WeakPolarHBondContact O-CB 3.5Å; D298-T304 PolarHBondContact O-OG1 2.95Å
299	S	93.8	Very high	94.3	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-23.6	-179.8	-53.7	0	0	0	0	113.1	T86 L296 Q297 T306 N337	T86-S299 PolarHBondContact OG1-OG 2.91Å; L296-S299 WeakPolarHBondContact O-CA 3.25Å; L296-S299 WeakPolarHBondContact O-CB 3.4Å; L296-S299 PolarHBondContact O-N 2.72Å; Q297-S299 VanDerWaalsContact C-N 3.26Å; Q297-S299 PolarHBondContact O-N 2.74Å; S299-T306 WeakPolarHBondContact O-CB 3.43Å; S299-T306 PolarHBondContact O-OG1 2.95Å; S299-N337 PolarHBondContact O-ND2 3.27Å
300	L	93.3	Very high	94.5	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.016	9%	0.088	C	C	.	.	S	Bend	trans	-124.2	95.3	-173.9	-61.2	176.4	0	0	0	110.4	F88 L270 V273 I274 L277 Y287 L296 Q297 I335	F88-L300 HydrophobicContact CE1-CD2 4.32Å; F88-L300 HydrophobicContact CZ-CD2 4.49Å; L270-L300 HydrophobicContact CD1-CD1 3.67Å; V273-L300 HydrophobicContact CG1-CB 4.46Å; V273-L300 HydrophobicContact CG1-CD1 4.2Å; I274-L300 HydrophobicContact CG1-CD1 4.39Å; L277-L300 HydrophobicContact CD1-CB 3.97Å; L277-L300 WeakPolarHBondContact CD1-O 3.39Å; Y287-L300 WeakPolarHBondContact CE1-O 3.4Å; Y287-L300 PolarHBondContact OH-O 3.24Å; L296-L300 HydrophobicContact CB-CD1 4.5Å; L296-L300 PolarHBondContact O-N 3.5Å; L296-L300 VanDerWaalsContact O-N 3.12Å; Q297-L300 PolarHBondContact O-N 2.72Å; L300-I335 HydrophobicContact CD2-CD1 4.11Å
301	G	89.3	Confident	94.6	Very high	25 Å²	25	16.1 Å²	16.1	26%	0.258	9%	0.088	S	C	.	.	S	Bend	trans	89.4	-7.3	-174.7	0	0	0	0	0	114.9	N337	G301-N337 WeakPolarHBondContact CA-OD1 3.49Å; G301-N337 PolarHBondContact N-OD1 3.15Å
302	G	91.2	Very high	94.7	Very high	17 Å²	17	13.6 Å²	13.6	18%	0.175	8%	0.077	C	C	.	.	S	Bend	trans	-99.3	-158	-174.7	0	0	0	0	0	115.9	D298 T304 K338	D298-G302 CarbonylContact O-C 3.59Å; D298-G302 VanDerWaalsContact O-C 3.3Å; D298-G302 VanDerWaalsContact O-CA 3.29Å; D298-G302 WeakPolarHBondContact O-CA 3.29Å; G302-T304 PolarHBondContact O-N 3.16Å; G302-K338 PolarHBondContact O-N 3.12Å
303	N	92.6	Very high	94.7	Very high	21 Å²	21	13.6 Å²	13.6	11%	0.112	8%	0.077	C	C	.	.	S	Bend	trans	-84.9	74	176.6	173.2	30.4	0	0	0	110.9	N84 D298 P339 R340 N342	N84-N303 WeakPolarHBondContact CB-O 3.39Å; N84-N303 PolarHBondContact ND2-ND2 2.9Å; N84-N303 PolarHBondContact ND2-O 3.33Å; D298-N303 PolarHBondContact O-N 2.66Å; N303-P339 WeakPolarHBondContact OD1-CA 3.28Å; N303-R340 PolarHBondContact ND2-NE 2.98Å; N303-R340 VanDerWaalsContact OD1-CG 3.24Å; N303-R340 WeakPolarHBondContact OD1-CG 3.27Å; N303-R340 PolarHBondContact OD1-N 3.17Å; N303-R340 PolarHBondContact OD1-O 3.31Å; N303-N342 PolarHBondContact ND2-OD1 3.13Å
304	T	94.3	Very high	94.7	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.018	8%	0.077	C	C	.	.	S	Bend	trans	-154.9	141.9	176.1	-57.2	0	0	0	0	111.7	N84 T86 D298 G302 T306 N337	N84-T304 HydrophobicContact CB-CG2 4.22Å; T86-T304 WeakPolarHBondContact OG1-CG2 3.38Å; D298-T304 VanDerWaalsContact C-OG1 3.23Å; D298-T304 WeakPolarHBondContact O-CB 3.5Å; D298-T304 PolarHBondContact O-OG1 2.95Å; G302-T304 PolarHBondContact O-N 3.16Å; T304-T306 WeakPolarHBondContact CG2-OG1 3.32Å; T304-N337 WeakPolarHBondContact O-CB 3.37Å; T304-N337 PolarHBondContact O-ND2 2.77Å
305	K	95.7	Very high	94.7	Very high	33 Å²	33	11.4 Å²	11.4	14%	0.143	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	112	162.8	-68.5	177.5	173.1	166.1	0	108.9	L75 Y83 N84 G85 T86 P339	L75-K305 WeakPolarHBondContact CD1-O 3.42Å; L75-K305 HydrophobicContact CG-CB 4.31Å; Y83-K305 HydrophobicContact CD1-CD 4.21Å; Y83-K305 HydrophobicContact CG-CD 4.13Å; N84-K305 PolarHBondContact O-N 3.12Å; G85-K305 CarbonylContact C-O 3.58Å; G85-K305 VanDerWaalsContact CA-O 3.29Å; G85-K305 WeakPolarHBondContact CA-O 3.33Å; T86-K305 PolarHBondContact N-O 3.09Å; K305-P339 HydrophobicContact CG-CB 3.64Å; K305-P339 HydrophobicContact CG-CG 3.96Å
306	T	97.3	Very high	94.6	Very high	6 Å²	6	12 Å²	12	4%	0.037	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.5	-169.2	-56.4	0	0	0	0	112.5	V6 K7 T86 F88 S299 T304 N337	V6-T306 HydrophobicContact CG1-CG2 3.95Å; K7-T306 PolarHBondContact N-O 2.87Å; T86-T306 HydrophobicContact CG2-CG2 4.41Å; T86-T306 CarbonylContact O-C 3.57Å; T86-T306 WeakPolarHBondContact O-CA 3.27Å; F88-T306 HydrophobicContact CD1-CG2 3.97Å; F88-T306 HydrophobicContact CE1-CG2 3.7Å; S299-T306 WeakPolarHBondContact O-CB 3.43Å; S299-T306 PolarHBondContact O-OG1 2.95Å; T304-T306 WeakPolarHBondContact CG2-OG1 3.32Å; T306-N337 PolarHBondContact OG1-ND2 2.84Å
307	L	97.4	Very high	94.4	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.8	175.1	173.3	60.1	0	0	0	110	K7 V9 I71 A72 L75 T86 I87 F88 V309	K7-L307 HydrophobicContact CB-CD1 4.11Å; K7-L307 CarbonylContact O-C 3.58Å; K7-L307 WeakPolarHBondContact O-CA 3.25Å; V9-L307 HydrophobicContact CG1-CD1 4.29Å; V9-L307 HydrophobicContact CG2-CD1 4.19Å; I71-L307 HydrophobicContact CG1-CD1 3.71Å; I71-L307 HydrophobicContact CG1-CD2 4.23Å; I71-L307 HydrophobicContact CG2-CD1 4.29Å; I71-L307 HydrophobicContact CG2-CD2 3.87Å; A72-L307 HydrophobicContact CB-CD2 4.29Å; L75-L307 HydrophobicContact CD1-CB 3.58Å; T86-L307 PolarHBondContact O-N 2.9Å; I87-L307 WeakPolarHBondContact CA-O 3.29Å; I87-L307 HydrophobicContact CD1-CD2 4.46Å; I87-L307 HydrophobicContact CG1-CB 4.31Å; I87-L307 HydrophobicContact CG1-CD2 4.35Å; I87-L307 HydrophobicContact CG2-CB 4.44Å; I87-L307 HydrophobicContact CG2-CD2 4.09Å; I87-L307 HydrophobicContact CG2-CG 4.26Å; F88-L307 PolarHBondContact N-O 3.34Å; L307-V309 HydrophobicContact CD2-CG2 4.5Å; L307-V309 HydrophobicContact CG-CG2 4.27Å
308	M	97.4	Very high	94.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.1	168.1	-179.3	-178.8	176.4	0	0	110	K7 V8 V9 F88 Y90 A310 Y328 A329 A332	K7-M308 PolarHBondContact O-N 2.68Å; V8-M308 WeakPolarHBondContact CA-O 3.43Å; V8-M308 HydrophobicContact CB-CB 4.47Å; V8-M308 HydrophobicContact CG1-CB 4.27Å; V8-M308 HydrophobicContact CG1-CG 4.35Å; V8-M308 HydrophobicContact CG1-SD 4.11Å; V8-M308 HydrophobicContact CG2-CB 4.09Å; V8-M308 HydrophobicContact CG2-SD 4.46Å; V9-M308 PolarHBondContact N-O 3.45Å; F88-M308 HydrophobicContact CD1-CB 4.45Å; F88-M308 HydrophobicContact CD2-CG 4.22Å; F88-M308 HydrophobicContact CE1-CB 3.81Å; F88-M308 HydrophobicContact CE1-CG 4.3Å; F88-M308 HydrophobicContact CE2-CB 3.98Å; F88-M308 HydrophobicContact CE2-CE 4.46Å; F88-M308 HydrophobicContact CE2-CG 3.54Å; F88-M308 HydrophobicContact CE2-SD 4.04Å; F88-M308 HydrophobicContact CZ-CB 3.55Å; F88-M308 HydrophobicContact CZ-CG 3.6Å; F88-M308 HydrophobicContact CZ-SD 4.01Å; Y90-M308 HydrophobicContact CD1-CE 3.36Å; Y90-M308 HydrophobicContact CE1-CE 4.28Å; Y90-M308 HydrophobicContact CG-CE 3.77Å; M308-A310 HydrophobicContact CE-CB 4.16Å; M308-Y328 HydrophobicContact CE-CD1 3.71Å; M308-Y328 HydrophobicContact CE-CE1 4.17Å; M308-Y328 HydrophobicContact SD-CD1 4.5Å; M308-A329 HydrophobicContact CE-CB 3.99Å; M308-A329 HydrophobicContact SD-CB 4.29Å; M308-A332 HydrophobicContact SD-CB 3.6Å; M308-A332 VanDerWaalsContact SD-CB 3.6Å
309	V	97.4	Very high	94.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	104.1	171.1	-174.3	0	0	0	0	108.9	V9 I87 F88 A89 Y90 T100 I113 L307 C311	V9-V309 HydrophobicContact CG2-CB 4.38Å; V9-V309 HydrophobicContact CG2-CG1 4.26Å; V9-V309 HydrophobicContact CG2-CG2 4.01Å; I87-V309 HydrophobicContact CG2-CG2 4.19Å; F88-V309 PolarHBondContact O-N 2.92Å; A89-V309 CarbonylContact C-O 3.56Å; A89-V309 WeakPolarHBondContact CA-O 3.31Å; Y90-V309 PolarHBondContact N-O 2.82Å; T100-V309 HydrophobicContact CG2-CG1 3.97Å; I113-V309 HydrophobicContact CD1-CG2 4.26Å; L307-V309 HydrophobicContact CD2-CG2 4.5Å; L307-V309 HydrophobicContact CG-CG2 4.27Å; V309-C311 PolarHBondContact O-N 2.83Å
310	A	97.5	Very high	94.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	103.1	179.4	0	0	0	0	0	110.4	V9 V10 R11 M308 T325 A329	V9-A310 PolarHBondContact O-N 3.43Å; V10-A310 CarbonylContact C-O 3.54Å; V10-A310 WeakPolarHBondContact CA-O 3.2Å; V10-A310 HydrophobicContact CG1-CB 3.98Å; R11-A310 PolarHBondContact N-O 3.42Å; M308-A310 HydrophobicContact CE-CB 4.16Å; A310-T325 HydrophobicContact CB-CG2 4.09Å; A310-A329 HydrophobicContact CB-CB 3.9Å
311	C	96.7	Very high	94.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.6	-179.4	-63.1	0	0	0	0	111.1	R11 Y90 S95 K97 V309	R11-C311 WeakPolarHBondContact O-CA 3.38Å; Y90-C311 PolarHBondContact O-N 2.93Å; S95-C311 WeakPolarHBondContact CB-O 3.45Å; S95-C311 VanDerWaalsContact OG-CB 3.23Å; S95-C311 WeakPolarHBondContact OG-CB 3.5Å; S95-C311 PolarHBondContact OG-O 3.23Å; K97-C311 HydrophobicContact CG-CB 4.12Å; V309-C311 PolarHBondContact O-N 2.83Å
312	L	96.4	Very high	94.4	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.1	-170.2	-52.4	180	0	0	0	112.2	V10 R11 R13 T322 T325 L326	V10-L312 HydrophobicContact CB-CD1 4.06Å; V10-L312 HydrophobicContact CG1-CD1 4.22Å; R11-L312 PolarHBondContact O-N 3.24Å; R13-L312 PolarHBondContact N-O 3.38Å; L312-T322 HydrophobicContact CB-CG2 4.14Å; L312-T322 HydrophobicContact CD1-CG2 4.38Å; L312-T322 HydrophobicContact CD2-CG2 4.16Å; L312-T322 HydrophobicContact CG-CG2 4.45Å; L312-T325 HydrophobicContact CD2-CG2 3.54Å; L312-L326 HydrophobicContact CD1-CD2 3.83Å; L312-L326 HydrophobicContact CD1-CG 4.14Å; L312-L326 HydrophobicContact CD2-CG 4.25Å
313	S	94.1	Very high	94.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.			trans	-94.1	138.4	162.1	178.9	0	0	0	0	110.2	E19 A315 N318 T322	E19-S313 PolarHBondContact OE1-OG 3.35Å; S313-A315 VanDerWaalsContact C-N 3.28Å; S313-A315 PolarHBondContact O-N 3.39Å; S313-A315 PolarHBondContact OG-N 2.95Å; S313-N318 PolarHBondContact OG-ND2 3.29Å; S313-T322 PolarHBondContact N-OG1 2.99Å; S313-T322 PolarHBondContact O-OG1 2.83Å
314	P	94.9	Very high	94.6	Very high	2 Å²	2	16 Å²	16	1%	0.013	9%	0.086	C	C	.	.			trans	-73.6	-16.7	174.4	29.8	-35.6	0	0	0	113.6	R13 M15 S26 V27	R13-P314 VanDerWaalsContact O-CD 3.26Å; R13-P314 WeakPolarHBondContact O-CD 3.16Å; R13-P314 WeakPolarHBondContact O-CG 3.43Å; M15-P314 HydrophobicContact CG-CG 3.68Å; S26-P314 CarbonylContact C-O 3.29Å; S26-P314 WeakPolarHBondContact CA-O 3.5Å; V27-P314 WeakPolarHBondContact CG2-O 3.38Å; V27-P314 PolarHBondContact N-O 2.96Å
315	A	93.8	Very high	94.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-79.6	136.6	-166	0	0	0	0	0	114.4	E19 C24 Q25 S313 N317 N318	E19-A315 HydrophobicContact CB-CB 4.12Å; E19-A315 HydrophobicContact CG-CB 3.7Å; C24-A315 HydrophobicContact CB-CB 3.74Å; Q25-A315 WeakPolarHBondContact O-CA 3.45Å; S313-A315 VanDerWaalsContact C-N 3.28Å; S313-A315 PolarHBondContact O-N 3.39Å; S313-A315 PolarHBondContact OG-N 2.95Å; A315-N317 VanDerWaalsContact C-N 3.34Å; A315-N317 PolarHBondContact O-N 3.44Å; A315-N318 WeakPolarHBondContact O-CA 3.36Å; A315-N318 WeakPolarHBondContact O-CB 3.37Å; A315-N318 PolarHBondContact O-N 2.89Å
316	D	93.4	Very high	94.6	Very high	41 Å²	41	14.2 Å²	14.2	22%	0.219	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-43.2	-47.1	173	51.6	15	0	0	0	115.5	C24 Q25 V27 P42 N318 Y319	C24-D316 WeakPolarHBondContact CA-OD1 3.39Å; C24-D316 WeakPolarHBondContact CB-OD1 3.35Å; C24-D316 PolarHBondContact SG-OD1 3.38Å; Q25-D316 VanDerWaalsContact N-CG 3.33Å; Q25-D316 PolarHBondContact N-OD2 3.29Å; Q25-D316 PolarHBondContact O-N 3.11Å; V27-D316 HydrophobicContact CG1-CB 3.78Å; P42-D316 HydrophobicContact CB-CB 4.27Å; P42-D316 HydrophobicContact CG-CB 4.48Å; D316-N318 PolarHBondContact O-N 3.24Å; D316-Y319 WeakPolarHBondContact O-CB 3.47Å; D316-Y319 PolarHBondContact O-N 3.14Å
317	N	90	Very high	94.5	Very high	83 Å²	83	17.2 Å²	17.2	44%	0.444	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-59.6	-17.5	178.1	173.2	84.8	0	0	0	113.5	K249 A315	K249-N317 PolarHBondContact NZ-O 2.82Å; A315-N317 VanDerWaalsContact C-N 3.34Å; A315-N317 PolarHBondContact O-N 3.44Å
318	N	90.8	Very high	94.3	Very high	14 Å²	14	18.2 Å²	18.2	8%	0.075	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-103.2	4	175.6	-63.9	-59.2	0	0	0	113.8	E19 Q92 S313 A315 D316 D320 E321 T322	E19-N318 PolarHBondContact OE1-ND2 3.4Å; Q92-N318 PolarHBondContact NE2-OD1 2.58Å; S313-N318 PolarHBondContact OG-ND2 3.29Å; A315-N318 WeakPolarHBondContact O-CA 3.36Å; A315-N318 WeakPolarHBondContact O-CB 3.37Å; A315-N318 PolarHBondContact O-N 2.89Å; D316-N318 PolarHBondContact O-N 3.24Å; N318-D320 VanDerWaalsContact C-N 3.31Å; N318-D320 PolarHBondContact O-N 3.37Å; N318-D320 VanDerWaalsContact O-N 3.13Å; N318-E321 PolarHBondContact O-N 2.92Å; N318-T322 PolarHBondContact O-N 2.8Å
319	Y	93.6	Very high	94.2	Very high	20 Å²	20	18.2 Å²	18.2	8%	0.078	9%	0.092	C	C	.	.	H	α-helix	trans	-45	-49.8	-174.5	174.5	-97.3	0	0	0	113.3	V27 I39 Q40 N41 P42 D316 E321 T322 L323	V27-Y319 HydrophobicContact CG2-CD2 4.33Å; I39-Y319 HydrophobicContact CD1-CD2 3.46Å; I39-Y319 VanDerWaalsContact CD1-CD2 3.46Å; I39-Y319 HydrophobicContact CD1-CE2 3.6Å; I39-Y319 HydrophobicContact CD1-CG 4.37Å; I39-Y319 HydrophobicContact CG1-CD2 3.79Å; I39-Y319 HydrophobicContact CG1-CE2 3.73Å; Q40-Y319 VanDerWaalsContact O-CD2 3.28Å; Q40-Y319 WeakPolarHBondContact O-CD2 3.33Å; Q40-Y319 WeakPolarHBondContact O-CE2 3.27Å; N41-Y319 HydrophobicContact CB-CE2 4.4Å; P42-Y319 HydrophobicContact CG-CD2 4.43Å; P42-Y319 HydrophobicContact CG-CG 4.18Å; D316-Y319 WeakPolarHBondContact O-CB 3.47Å; D316-Y319 PolarHBondContact O-N 3.14Å; Y319-E321 VanDerWaalsContact C-N 3.31Å; Y319-E321 PolarHBondContact O-N 2.92Å; Y319-T322 PolarHBondContact O-N 3.32Å; Y319-L323 HydrophobicContact CE1-CD2 3.84Å; Y319-L323 WeakPolarHBondContact O-CB 3.14Å; Y319-L323 PolarHBondContact O-N 3.26Å
320	D	91.9	Very high	94.1	Very high	81 Å²	81	20.3 Å²	20.3	43%	0.433	10%	0.103	S	C	.	.	H	α-helix	trans	-60	-39.2	-179.3	-35.1	-67.5	0	0	0	113.2	K249 N318 S324	K249-D320 IonicContact NZ-OD2 2.71Å; K249-D320 PolarHBondContact NZ-OD2 2.68Å; N318-D320 VanDerWaalsContact C-N 3.31Å; N318-D320 PolarHBondContact O-N 3.37Å; N318-D320 VanDerWaalsContact O-N 3.13Å; D320-S324 WeakPolarHBondContact O-CB 3.28Å; D320-S324 PolarHBondContact O-N 3Å
321	E	91.4	Very high	93.9	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-80.6	-38.8	-173.9	-56.7	-68.7	-174.5	0	0	110.1	Q92 R246 K249 N318 Y319 T325	Q92-E321 HydrophobicContact CB-CB 4.3Å; R246-E321 PolarHBondContact N-OE1 3.4Å; K249-E321 HydrophobicContact CD-CG 4.39Å; N318-E321 PolarHBondContact O-N 2.92Å; Y319-E321 VanDerWaalsContact C-N 3.31Å; Y319-E321 PolarHBondContact O-N 2.92Å; E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 3.41Å; E321-T325 PolarHBondContact O-OG1 2.65Å
322	T	94.7	Very high	93.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-45.1	169.9	-69.6	0	0	0	0	110.9	V28 I39 L312 S313 N318 Y319 T325 L326	V28-T322 HydrophobicContact CG2-CG2 3.75Å; I39-T322 HydrophobicContact CD1-CG2 3.73Å; L312-T322 HydrophobicContact CB-CG2 4.14Å; L312-T322 HydrophobicContact CD1-CG2 4.38Å; L312-T322 HydrophobicContact CD2-CG2 4.16Å; L312-T322 HydrophobicContact CG-CG2 4.45Å; S313-T322 PolarHBondContact N-OG1 2.99Å; S313-T322 PolarHBondContact O-OG1 2.83Å; N318-T322 PolarHBondContact O-N 2.8Å; Y319-T322 PolarHBondContact O-N 3.32Å; T322-T325 WeakPolarHBondContact O-CB 3.29Å; T322-T325 PolarHBondContact O-N 3.01Å; T322-L326 HydrophobicContact CG2-CD1 4.07Å; T322-L326 WeakPolarHBondContact O-CB 3.43Å; T322-L326 WeakPolarHBondContact O-CG 3.39Å; T322-L326 PolarHBondContact O-N 3.49Å
323	L	94.5	Very high	93.8	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-41.3	176.2	-179.7	61.2	0	0	0	112.1	I39 K50 F52 Y319 T325 L326 R327	I39-L323 HydrophobicContact CD1-CB 4.15Å; I39-L323 HydrophobicContact CG2-CD1 4.11Å; K50-L323 HydrophobicContact CD-CD1 4.35Å; F52-L323 HydrophobicContact CE2-CD1 4.12Å; F52-L323 HydrophobicContact CZ-CD1 3.91Å; Y319-L323 HydrophobicContact CE1-CD2 3.84Å; Y319-L323 WeakPolarHBondContact O-CB 3.14Å; Y319-L323 PolarHBondContact O-N 3.26Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 2.92Å; L323-L326 PolarHBondContact O-N 3.22Å; L323-R327 HydrophobicContact CD1-CG 4.45Å; L323-R327 WeakPolarHBondContact O-CG 3.46Å; L323-R327 PolarHBondContact O-N 3.2Å
324	S	92.9	Very high	93.8	Very high	37 Å²	37	30.2 Å²	30.2	26%	0.259	15%	0.148	S	C	.	.	H	α-helix	trans	-58.7	-45.6	172	-177.3	0	0	0	0	111	D320 L326 R327 Y328	D320-S324 WeakPolarHBondContact O-CB 3.28Å; D320-S324 PolarHBondContact O-N 3Å; S324-L326 PolarHBondContact O-N 2.95Å; S324-R327 PolarHBondContact O-N 3Å; S324-Y328 VanDerWaalsContact O-CB 3.25Å; S324-Y328 WeakPolarHBondContact O-CB 3.24Å; S324-Y328 PolarHBondContact O-N 2.9Å
325	T	95.2	Very high	93.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-41.8	177.4	-55.9	0	0	0	0	111.9	Y90 A310 L312 E321 T322 L323 Y328 A329	Y90-T325 HydrophobicContact CD1-CG2 3.95Å; Y90-T325 HydrophobicContact CE1-CG2 4.11Å; A310-T325 HydrophobicContact CB-CG2 4.09Å; L312-T325 HydrophobicContact CD2-CG2 3.54Å; E321-T325 WeakPolarHBondContact O-CB 3.41Å; E321-T325 PolarHBondContact O-N 3.41Å; E321-T325 PolarHBondContact O-OG1 2.65Å; T322-T325 WeakPolarHBondContact O-CB 3.29Å; T322-T325 PolarHBondContact O-N 3.01Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 2.92Å; T325-Y328 PolarHBondContact O-N 3.16Å; T325-A329 VanDerWaalsContact O-CB 3.27Å; T325-A329 WeakPolarHBondContact O-CB 3.43Å; T325-A329 PolarHBondContact O-N 2.81Å
326	L	96.3	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-47.6	176.3	-76.5	166.5	0	0	0	112.7	V10 C37 I39 F52 F54 L312 T322 L323 S324 Y328 A329 N330	V10-L326 HydrophobicContact CG1-CD2 3.94Å; C37-L326 HydrophobicContact CB-CD2 4.3Å; I39-L326 HydrophobicContact CB-CD1 4.1Å; I39-L326 HydrophobicContact CD1-CD1 4.27Å; I39-L326 HydrophobicContact CG2-CD1 3.95Å; F52-L326 HydrophobicContact CB-CD2 4.48Å; F52-L326 HydrophobicContact CD1-CB 4.43Å; F52-L326 HydrophobicContact CD2-CB 3.99Å; F52-L326 HydrophobicContact CD2-CD1 3.97Å; F52-L326 HydrophobicContact CD2-CD2 4.17Å; F52-L326 HydrophobicContact CD2-CG 4.28Å; F52-L326 HydrophobicContact CE1-CB 4.27Å; F52-L326 HydrophobicContact CE2-CB 3.82Å; F52-L326 HydrophobicContact CE2-CD1 3.95Å; F52-L326 HydrophobicContact CE2-CG 4.39Å; F52-L326 HydrophobicContact CG-CB 4.3Å; F52-L326 HydrophobicContact CG-CD2 4.36Å; F52-L326 HydrophobicContact CZ-CB 3.96Å; F54-L326 HydrophobicContact CE2-CD2 3.71Å; F54-L326 HydrophobicContact CZ-CD2 3.93Å; L312-L326 HydrophobicContact CD1-CD2 3.83Å; L312-L326 HydrophobicContact CD1-CG 4.14Å; L312-L326 HydrophobicContact CD2-CG 4.25Å; T322-L326 HydrophobicContact CG2-CD1 4.07Å; T322-L326 WeakPolarHBondContact O-CB 3.43Å; T322-L326 WeakPolarHBondContact O-CG 3.39Å; T322-L326 PolarHBondContact O-N 3.49Å; L323-L326 PolarHBondContact O-N 3.22Å; S324-L326 PolarHBondContact O-N 2.95Å; L326-Y328 VanDerWaalsContact C-N 3.32Å; L326-Y328 PolarHBondContact O-N 2.9Å; L326-A329 PolarHBondContact O-N 3.35Å; L326-N330 VanDerWaalsContact O-CB 3.32Å; L326-N330 WeakPolarHBondContact O-CB 3.32Å; L326-N330 PolarHBondContact O-N 3.05Å
327	R	94.1	Very high	93.7	Very high	69 Å²	69	33.8 Å²	33.8	26%	0.26	16%	0.161	S	C	.	.	H	α-helix	trans	-58.7	-43.9	174.6	-73.8	-179.1	-179	132.6	-2.4	111.5	F52 L323 S324 N330 R331 E844	F52-R327 HydrophobicContact CE1-CG 4.46Å; F52-R327 HydrophobicContact CZ-CG 4.39Å; L323-R327 HydrophobicContact CD1-CG 4.45Å; L323-R327 WeakPolarHBondContact O-CG 3.46Å; L323-R327 PolarHBondContact O-N 3.2Å; S324-R327 PolarHBondContact O-N 3Å; R327-N330 PolarHBondContact O-N 3.43Å; R327-R331 WeakPolarHBondContact O-CG 3.33Å; R327-R331 PolarHBondContact O-N 2.83Å; R327-E844 WeakPolarHBondContact CD-OE2 3.31Å; R327-E844 IonicContact CZ-OE1 3.28Å; R327-E844 VanDerWaalsContact CZ-OE1 3.24Å; R327-E844 IonicContact CZ-OE2 2.62Å; R327-E844 IonicContact NE-OE1 3.14Å; R327-E844 PolarHBondContact NE-OE1 3.06Å; R327-E844 VanDerWaalsContact NE-OE1 3.07Å; R327-E844 IonicContact NE-OE2 2.65Å; R327-E844 PolarHBondContact NE-OE2 3.03Å; R327-E844 IonicContact NH2-OE1 3.62Å; R327-E844 PolarHBondContact NH2-OE1 2.78Å; R327-E844 IonicContact NH2-OE2 2.66Å
328	Y	92.6	Very high	93.9	Very high	23 Å²	23	37.1 Å²	37.1	9%	0.09	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-47.8	179.2	-167.6	-76.4	0	0	0	111.7	Y90 L270 G271 I274 M308 S324 T325 L326 N330 R331 A332	Y90-Y328 AromaticContact CD1-CD1 3.92Å; Y90-Y328 HydrophobicContact CD1-CD1 3.92Å; Y90-Y328 HydrophobicContact CD1-CE1 4.26Å; Y90-Y328 HydrophobicContact CD1-CG 4.4Å; Y90-Y328 HydrophobicContact CD2-CE1 4.43Å; Y90-Y328 AromaticContact CE1-CD1 3.56Å; Y90-Y328 HydrophobicContact CE1-CD1 3.56Å; Y90-Y328 HydrophobicContact CE1-CD2 4.13Å; Y90-Y328 HydrophobicContact CE1-CE1 4.03Å; Y90-Y328 AromaticContact CE1-CG 3.61Å; Y90-Y328 HydrophobicContact CE1-CG 3.61Å; Y90-Y328 HydrophobicContact CE2-CE1 4.21Å; Y90-Y328 HydrophobicContact CE2-CE2 4.4Å; Y90-Y328 HydrophobicContact CG-CE1 4.46Å; Y90-Y328 AromaticContact CZ-CD1 3.92Å; Y90-Y328 AromaticContact CZ-CD2 3.88Å; Y90-Y328 AromaticContact CZ-CE2 3.97Å; Y90-Y328 AromaticContact CZ-CG 3.85Å; Y90-Y328 WeakPolarHBondContact OH-CD2 3.3Å; L270-Y328 WeakPolarHBondContact CB-OH 3.19Å; L270-Y328 WeakPolarHBondContact CD2-OH 3.47Å; L270-Y328 WeakPolarHBondContact CG-OH 3.45Å; G271-Y328 VanDerWaalsContact CA-CE2 3.46Å; G271-Y328 PolarHBondContact N-OH 3.25Å; I274-Y328 HydrophobicContact CD1-CD1 4.42Å; I274-Y328 HydrophobicContact CD1-CE1 3.57Å; M308-Y328 HydrophobicContact CE-CD1 3.71Å; M308-Y328 HydrophobicContact CE-CE1 4.17Å; M308-Y328 HydrophobicContact SD-CD1 4.5Å; S324-Y328 VanDerWaalsContact O-CB 3.25Å; S324-Y328 WeakPolarHBondContact O-CB 3.24Å; S324-Y328 PolarHBondContact O-N 2.9Å; T325-Y328 PolarHBondContact O-N 3.16Å; L326-Y328 VanDerWaalsContact C-N 3.32Å; L326-Y328 PolarHBondContact O-N 2.9Å; Y328-N330 VanDerWaalsContact C-N 3.32Å; Y328-N330 PolarHBondContact O-N 3.03Å; Y328-R331 PolarHBondContact O-N 2.82Å; Y328-A332 PolarHBondContact O-N 2.95Å
329	A	95.9	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-41.3	173.8	0	0	0	0	0	112.1	V8 F54 M308 A310 T325 L326 R331 A332 K333	V8-A329 HydrophobicContact CG1-CB 3.73Å; F54-A329 HydrophobicContact CE1-CB 3.62Å; F54-A329 HydrophobicContact CZ-CB 3.99Å; M308-A329 HydrophobicContact CE-CB 3.99Å; M308-A329 HydrophobicContact SD-CB 4.29Å; A310-A329 HydrophobicContact CB-CB 3.9Å; T325-A329 VanDerWaalsContact O-CB 3.27Å; T325-A329 WeakPolarHBondContact O-CB 3.43Å; T325-A329 PolarHBondContact O-N 2.81Å; L326-A329 PolarHBondContact O-N 3.35Å; A329-R331 VanDerWaalsContact C-N 3.34Å; A329-R331 PolarHBondContact O-N 3.25Å; A329-A332 PolarHBondContact O-N 2.9Å; A329-K333 PolarHBondContact O-N 3.28Å
330	N	95.2	Very high	93.8	Very high	43 Å²	43	43.3 Å²	43.3	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-31	179.2	-168.1	53.8	0	0	0	113.1	F52 F54 L326 R327 Y328 K333	F52-N330 HydrophobicContact CD1-CB 3.92Å; F52-N330 HydrophobicContact CE1-CB 4.3Å; F54-N330 HydrophobicContact CE1-CB 4.41Å; L326-N330 VanDerWaalsContact O-CB 3.32Å; L326-N330 WeakPolarHBondContact O-CB 3.32Å; L326-N330 PolarHBondContact O-N 3.05Å; R327-N330 PolarHBondContact O-N 3.43Å; Y328-N330 VanDerWaalsContact C-N 3.32Å; Y328-N330 PolarHBondContact O-N 3.03Å; N330-K333 WeakPolarHBondContact OD1-CE 3.43Å; N330-K333 PolarHBondContact OD1-NZ 2.91Å
331	R	94.1	Very high	93.7	Very high	85 Å²	85	41.7 Å²	41.7	32%	0.321	19%	0.187	S	C	.	.	H	α-helix	trans	-68.6	-50.1	167.8	-65.3	174.4	-168.7	179.2	5.3	109.9	I274 V278 R327 Y328 A329 K333 N334 E848	I274-R331 HydrophobicContact CG2-CB 3.98Å; V278-R331 WeakPolarHBondContact CG2-O 3.36Å; R327-R331 WeakPolarHBondContact O-CG 3.33Å; R327-R331 PolarHBondContact O-N 2.83Å; Y328-R331 PolarHBondContact O-N 2.82Å; A329-R331 VanDerWaalsContact C-N 3.34Å; A329-R331 PolarHBondContact O-N 3.25Å; R331-K333 VanDerWaalsContact C-N 3.32Å; R331-K333 PolarHBondContact O-N 3.41Å; R331-N334 PolarHBondContact O-N 3.24Å; R331-N334 VanDerWaalsContact O-N 3.16Å; R331-E848 IonicContact NH2-OE1 3.78Å; R331-E848 PolarHBondContact NH2-OE1 3.1Å
332	A	95.3	Very high	93.6	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.7	-37.5	-173.4	0	0	0	0	0	115	V8 I274 M308 Y328 A329 N334 I335	V8-A332 HydrophobicContact CG2-CB 4.08Å; I274-A332 HydrophobicContact CD1-CB 4Å; I274-A332 HydrophobicContact CG2-CB 4.36Å; M308-A332 HydrophobicContact SD-CB 3.6Å; M308-A332 VanDerWaalsContact SD-CB 3.6Å; Y328-A332 PolarHBondContact O-N 2.95Å; A329-A332 PolarHBondContact O-N 2.9Å; A332-N334 PolarHBondContact O-N 2.65Å; A332-N334 VanDerWaalsContact O-N 3.09Å; A332-I335 WeakPolarHBondContact O-CB 3.45Å; A332-I335 VanDerWaalsContact O-CG1 3.29Å; A332-I335 WeakPolarHBondContact O-CG1 3.35Å; A332-I335 PolarHBondContact O-N 2.79Å; A332-I335 VanDerWaalsContact O-N 3.12Å
333	K	94.5	Very high	93.2	Very high	49 Å²	49	44.5 Å²	44.5	21%	0.213	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.5	-177.8	82.4	-166.1	-169.3	-169.3	0	114.8	S5 V6 V8 T53 A329 N330 R331	S5-K333 WeakPolarHBondContact CB-O 3.23Å; S5-K333 PolarHBondContact OG-O 2.87Å; V6-K333 WeakPolarHBondContact O-CA 3.45Å; V8-K333 HydrophobicContact CB-CB 4.1Å; V8-K333 HydrophobicContact CG2-CB 3.59Å; T53-K333 PolarHBondContact O-NZ 2.79Å; A329-K333 PolarHBondContact O-N 3.28Å; N330-K333 WeakPolarHBondContact OD1-CE 3.43Å; N330-K333 PolarHBondContact OD1-NZ 2.91Å; R331-K333 VanDerWaalsContact C-N 3.32Å; R331-K333 PolarHBondContact O-N 3.41Å
334	N	94	Very high	92.3	Very high	77 Å²	77	47 Å²	47	41%	0.412	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-13	-178.9	-63.7	-30.1	0	0	0	113	V278 R331 A332 K336	V278-N334 HydrophobicContact CG1-CB 3.84Å; V278-N334 HydrophobicContact CG2-CB 4.05Å; R331-N334 PolarHBondContact O-N 3.24Å; R331-N334 VanDerWaalsContact O-N 3.16Å; A332-N334 PolarHBondContact O-N 2.65Å; A332-N334 VanDerWaalsContact O-N 3.09Å; N334-K336 WeakPolarHBondContact O-CE 3.02Å; N334-K336 PolarHBondContact O-N 3.45Å
335	I	93.8	Very high	91.3	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	23%	0.233	C	C	.	.			trans	-61.9	133.7	176	-58.7	168.4	0	0	0	109.5	S5 V6 I274 L277 V278 L300 A332	S5-I335 WeakPolarHBondContact CA-O 3.32Å; V6-I335 HydrophobicContact CB-CB 4.24Å; V6-I335 HydrophobicContact CG2-CB 3.7Å; V6-I335 HydrophobicContact CG2-CD1 4.5Å; V6-I335 HydrophobicContact CG2-CG2 3.73Å; V6-I335 PolarHBondContact N-O 3.09Å; I274-I335 HydrophobicContact CB-CD1 4.2Å; I274-I335 HydrophobicContact CD1-CD1 4.08Å; I274-I335 HydrophobicContact CG1-CD1 3.71Å; I274-I335 HydrophobicContact CG2-CD1 4.04Å; L277-I335 HydrophobicContact CB-CG1 4.21Å; L277-I335 HydrophobicContact CB-CG2 4.48Å; L277-I335 HydrophobicContact CD1-CD1 4.37Å; L277-I335 HydrophobicContact CD1-CG2 4.08Å; V278-I335 HydrophobicContact CG2-CG1 3.85Å; L300-I335 HydrophobicContact CD2-CD1 4.11Å; A332-I335 WeakPolarHBondContact O-CB 3.45Å; A332-I335 VanDerWaalsContact O-CG1 3.29Å; A332-I335 WeakPolarHBondContact O-CG1 3.35Å; A332-I335 PolarHBondContact O-N 2.79Å; A332-I335 VanDerWaalsContact O-N 3.12Å
336	K	93.2	Very high	90	Very high	115 Å²	115	57.4 Å²	57.4	50%	0.5	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.2	-179.5	-57.4	-57.7	177.2	-178.8	0	110.9	S5 N334	S5-K336 PolarHBondContact OG-NZ 2.83Å; N334-K336 WeakPolarHBondContact O-CE 3.02Å; N334-K336 PolarHBondContact O-N 3.45Å
337	N	94	Very high	88.7	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.011	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	164.1	174.5	-72.4	14.8	0	0	0	110.8	S3 E4 V6 S299 G301 T304 T306 P339	S3-N337 CarbonylContact C-O 3.58Å; S3-N337 VanDerWaalsContact CA-O 3.3Å; S3-N337 WeakPolarHBondContact CA-O 3.45Å; S3-N337 WeakPolarHBondContact CB-O 3.44Å; E4-N337 PolarHBondContact N-O 2.89Å; E4-N337 PolarHBondContact O-N 2.92Å; V6-N337 WeakPolarHBondContact CG2-OD1 3.41Å; S299-N337 PolarHBondContact O-ND2 3.27Å; G301-N337 WeakPolarHBondContact CA-OD1 3.49Å; G301-N337 PolarHBondContact N-OD1 3.15Å; T304-N337 WeakPolarHBondContact O-CB 3.37Å; T304-N337 PolarHBondContact O-ND2 2.77Å; T306-N337 PolarHBondContact OG1-ND2 2.84Å; N337-P339 VanDerWaalsContact C-CD 3.43Å
338	K	92.9	Very high	87.5	Confident	152 Å²	152	56.4 Å²	56.4	66%	0.661	27%	0.271	S	S	*	.			trans	-126.6	65.3	177.4	-65	176.8	-176.4	172.5	0	110.6	G302 R340	G302-K338 PolarHBondContact O-N 3.12Å; K338-R340 PolarHBondContact O-N 2.95Å
339	P	92.1	Very high	86.4	Confident	20 Å²	20	59 Å²	59	13%	0.13	29%	0.286	C	S	.	.			trans	-66.1	130	-179.6	27.9	-34	0	0	0	111.7	E4 Y83 N303 K305 N337	E4-P339 HydrophobicContact CB-CG 4.01Å; Y83-P339 HydrophobicContact CD1-CB 4.03Å; Y83-P339 HydrophobicContact CE1-CB 4.34Å; N303-P339 WeakPolarHBondContact OD1-CA 3.28Å; K305-P339 HydrophobicContact CG-CB 3.64Å; K305-P339 HydrophobicContact CG-CG 3.96Å; N337-P339 VanDerWaalsContact C-CD 3.43Å
340	R	90.6	Very high	85.2	Confident	145 Å²	145	62.5 Å²	62.5	55%	0.547	30%	0.304	S	S	.	.			trans	-123.4	160.7	168.6	56.2	171.7	-174.6	-135.4	2.2	109.7	M1 Y83 N303 K338	M1-R340 HydrophobicContact SD-CB 4.28Å; Y83-R340 VanDerWaalsContact CD1-O 3.23Å; Y83-R340 WeakPolarHBondContact CD1-O 3.45Å; N303-R340 PolarHBondContact ND2-NE 2.98Å; N303-R340 VanDerWaalsContact OD1-CG 3.24Å; N303-R340 WeakPolarHBondContact OD1-CG 3.27Å; N303-R340 PolarHBondContact OD1-N 3.17Å; N303-R340 PolarHBondContact OD1-O 3.31Å; K338-R340 PolarHBondContact O-N 2.95Å
341	I	90.9	Very high	84.1	Confident	46 Å²	46	64.6 Å²	64.6	24%	0.236	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-68.6	135.1	163.9	-53.4	177.2	0	0	0	106.8	G82 Y83 E343	G82-I341 WeakPolarHBondContact O-CA 3.33Å; Y83-I341 HydrophobicContact CD1-CG1 4.47Å; Y83-I341 HydrophobicContact CD2-CG1 3.94Å; Y83-I341 HydrophobicContact CE1-CG1 4.05Å; Y83-I341 HydrophobicContact CE2-CD1 4.08Å; Y83-I341 HydrophobicContact CE2-CG1 3.47Å; Y83-I341 VanDerWaalsContact CE2-CG1 3.47Å; Y83-I341 HydrophobicContact CG-CG1 4.42Å; I341-E343 VanDerWaalsContact C-N 3.29Å; I341-E343 HydrophobicContact CG2-CG 4.11Å; I341-E343 WeakPolarHBondContact CG2-OE1 3.34Å; I341-E343 PolarHBondContact O-N 3.39Å
342	N	89.8	Confident	83.2	Confident	29 Å²	29	66.8 Å²	66.8	16%	0.155	32%	0.323	C	S	.	.			trans	-80.8	85.2	178.4	-55.5	-60.5	0	0	0	109.7	G82 N84 R232 A233 N303	G82-N342 PolarHBondContact O-N 2.84Å; G82-N342 PolarHBondContact O-ND2 3.03Å; N84-N342 PolarHBondContact OD1-ND2 3.21Å; R232-N342 WeakPolarHBondContact CA-O 3.23Å; A233-N342 HydrophobicContact CB-CB 4.38Å; A233-N342 PolarHBondContact N-O 3Å; A233-N342 WeakPolarHBondContact O-CB 3.21Å; A233-N342 PolarHBondContact O-ND2 3.33Å; N303-N342 PolarHBondContact ND2-OD1 3.13Å
343	E	84.6	Confident	82.1	Confident	32 Å²	32	73.3 Å²	73.3	15%	0.15	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-42.5	135.3	166	-55	161	-141	0	0	115.5	R232 I341 A348 R351	R232-E343 HydrophobicContact CB-CG 4.09Å; R232-E343 VanDerWaalsContact CD-OE1 3.28Å; R232-E343 WeakPolarHBondContact CD-OE1 3.23Å; R232-E343 HydrophobicContact CG-CG 3.77Å; R232-E343 IonicContact NE-OE1 2.82Å; R232-E343 PolarHBondContact NE-OE1 3.25Å; I341-E343 VanDerWaalsContact C-N 3.29Å; I341-E343 HydrophobicContact CG2-CG 4.11Å; I341-E343 WeakPolarHBondContact CG2-OE1 3.34Å; I341-E343 PolarHBondContact O-N 3.39Å; E343-A348 HydrophobicContact CB-CB 4.26Å; E343-R351 IonicContact OE1-CZ 3.96Å; E343-R351 IonicContact OE1-NH1 3.87Å; E343-R351 IonicContact OE1-NH2 2.61Å; E343-R351 PolarHBondContact OE1-NH2 3.12Å; E343-R351 IonicContact OE2-CZ 2.58Å; E343-R351 IonicContact OE2-NH1 3.77Å; E343-R351 PolarHBondContact OE2-NH1 3.41Å; E343-R351 IonicContact OE2-NH2 3.17Å; E343-R351 PolarHBondContact OE2-NH2 2.98Å
344	D	76.9	Confident	81.1	Confident	62 Å²	62	77.1 Å²	77.1	33%	0.332	37%	0.367	S	S	.	.			trans	-63.8	135	140.2	-149	43	0	0	0	107.8	L231 K346 D347 A348	L231-D344 HydrophobicContact CB-CB 4.12Å; L231-D344 PolarHBondContact O-N 3.43Å; D344-K346 VanDerWaalsContact C-N 3.25Å; D344-K346 PolarHBondContact O-N 2.81Å; D344-K346 VanDerWaalsContact O-N 3.15Å; D344-D347 PolarHBondContact O-N 3.23Å; D344-A348 PolarHBondContact O-N 3.24Å
345	P	71.4	Confident	80.2	Confident	98 Å²	98	79.1 Å²	79.1	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-65.2	-28.2	-163.5	22.6	-33.2	0	0	0	113.6	D347 L349	P345-D347 VanDerWaalsContact C-N 3.3Å; P345-D347 PolarHBondContact O-N 2.89Å; P345-L349 WeakPolarHBondContact O-CB 3.17Å; P345-L349 PolarHBondContact O-N 3.39Å
346	K	67.1	Low	79.3	Confident	157 Å²	157	82.6 Å²	82.6	68%	0.683	39%	0.39	S	S	*	.	H	α-helix	trans	-61.9	-38.8	172.9	-64.2	173.4	-178.3	171.1	0	111.6	D344 L350	D344-K346 VanDerWaalsContact C-N 3.25Å; D344-K346 PolarHBondContact O-N 2.81Å; D344-K346 VanDerWaalsContact O-N 3.15Å; K346-L350 WeakPolarHBondContact O-CB 3.36Å; K346-L350 WeakPolarHBondContact O-CD1 3.49Å; K346-L350 WeakPolarHBondContact O-CG 3.28Å; K346-L350 PolarHBondContact O-N 3.41Å
347	D	69.5	Low	78.3	Confident	9 Å²	9	81.2 Å²	81.2	5%	0.048	39%	0.387	C	S	.	.	H	α-helix	trans	-83.8	-36.1	-174.9	-70.5	-12	0	0	0	112.7	K228 H230 D344 P345 L349 L350 R351	K228-D347 WeakPolarHBondContact CE-OD1 3.38Å; K228-D347 IonicContact NZ-OD1 3.93Å; K228-D347 PolarHBondContact NZ-OD1 3.25Å; K228-D347 IonicContact NZ-OD2 3.73Å; K228-D347 PolarHBondContact NZ-OD2 3.13Å; H230-D347 WeakPolarHBondContact CA-OD2 3.5Å; H230-D347 IonicContact CE1-OD1 2.96Å; H230-D347 IonicContact CE1-OD2 2.7Å; H230-D347 IonicContact CG-OD2 2.81Å; H230-D347 IonicContact ND1-OD1 3.83Å; H230-D347 IonicContact ND1-OD2 3.2Å; H230-D347 PolarHBondContact ND1-OD2 3.38Å; D344-D347 PolarHBondContact O-N 3.23Å; P345-D347 VanDerWaalsContact C-N 3.3Å; P345-D347 PolarHBondContact O-N 2.89Å; D347-L349 VanDerWaalsContact C-N 3.31Å; D347-L349 PolarHBondContact O-N 3.5Å; D347-L350 PolarHBondContact O-N 2.96Å; D347-R351 PolarHBondContact O-N 3.36Å
348	A	68.7	Low	77.5	Confident	40 Å²	40	88.7 Å²	88.7	33%	0.331	42%	0.42	S	S	.	.	H	α-helix	trans	-55.8	-48.7	168.7	0	0	0	0	0	110.9	E343 D344 R351 E352	E343-A348 HydrophobicContact CB-CB 4.26Å; D344-A348 PolarHBondContact O-N 3.24Å; A348-R351 PolarHBondContact O-N 2.9Å; A348-E352 PolarHBondContact O-N 2.87Å
349	L	70.7	Confident	76.7	Confident	77 Å²	77	88.7 Å²	88.7	40%	0.403	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-41.6	178.3	-173	64.9	0	0	0	112.4	P345 D347 R351 E352 Y353	P345-L349 WeakPolarHBondContact O-CB 3.17Å; P345-L349 PolarHBondContact O-N 3.39Å; D347-L349 VanDerWaalsContact C-N 3.31Å; D347-L349 PolarHBondContact O-N 3.5Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 3.45Å; L349-E352 PolarHBondContact O-N 3.49Å; L349-Y353 HydrophobicContact CD1-CE1 4Å; L349-Y353 HydrophobicContact CD1-CE2 3.97Å; L349-Y353 HydrophobicContact CD2-CE2 3.96Å; L349-Y353 HydrophobicContact CG-CD2 4.14Å; L349-Y353 HydrophobicContact CG-CE2 3.62Å; L349-Y353 PolarHBondContact O-N 3.09Å
350	L	70.4	Confident	75.8	Confident	74 Å²	74	92 Å²	92	39%	0.387	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-38.4	174.5	-85.5	163	0	0	0	112.6	K346 D347 Q354	K346-L350 WeakPolarHBondContact O-CB 3.36Å; K346-L350 WeakPolarHBondContact O-CD1 3.49Å; K346-L350 WeakPolarHBondContact O-CG 3.28Å; K346-L350 PolarHBondContact O-N 3.41Å; D347-L350 PolarHBondContact O-N 2.96Å; L350-Q354 WeakPolarHBondContact O-CB 3.39Å; L350-Q354 VanDerWaalsContact O-CG 3.23Å; L350-Q354 WeakPolarHBondContact O-CG 3.45Å; L350-Q354 PolarHBondContact O-N 3.49Å
351	R	72.5	Confident	74.9	Confident	86 Å²	86	91.7 Å²	91.7	33%	0.325	43%	0.434	S	S	.	.	H	α-helix	trans	-65.6	-47.1	172.5	-177	-171	-68.9	98.2	-4.3	111.1	E343 D347 A348 L349 Y353 Q354 E355	E343-R351 IonicContact OE1-CZ 3.96Å; E343-R351 IonicContact OE1-NH1 3.87Å; E343-R351 IonicContact OE1-NH2 2.61Å; E343-R351 PolarHBondContact OE1-NH2 3.12Å; E343-R351 IonicContact OE2-CZ 2.58Å; E343-R351 IonicContact OE2-NH1 3.77Å; E343-R351 PolarHBondContact OE2-NH1 3.41Å; E343-R351 IonicContact OE2-NH2 3.17Å; E343-R351 PolarHBondContact OE2-NH2 2.98Å; D347-R351 PolarHBondContact O-N 3.36Å; A348-R351 PolarHBondContact O-N 2.9Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-R351 PolarHBondContact O-N 3.45Å; R351-Y353 VanDerWaalsContact C-N 3.32Å; R351-Y353 PolarHBondContact O-N 3.45Å; R351-Q354 CarbonylContact O-C 3.6Å; R351-Q354 PolarHBondContact O-N 3.13Å; R351-E355 WeakPolarHBondContact CD-OE1 3.28Å; R351-E355 HydrophobicContact CG-CG 4.22Å; R351-E355 WeakPolarHBondContact CG-OE1 3.35Å; R351-E355 PolarHBondContact O-N 2.93Å
352	E	74.1	Confident	74.3	Confident	132 Å²	132	91.8 Å²	91.8	62%	0.617	44%	0.442	S	S	*	.	H	α-helix	trans	-58.4	-44.3	-179.3	-173.6	163.3	-158.6	0	0	111.4	A348 L349 E355 E356	A348-E352 PolarHBondContact O-N 2.87Å; L349-E352 PolarHBondContact O-N 3.49Å; E352-E355 PolarHBondContact O-N 3.36Å; E352-E356 PolarHBondContact O-N 2.91Å
353	Y	73.1	Confident	73.6	Confident	136 Å²	136	93.6 Å²	93.6	53%	0.533	45%	0.451	S	S	.	.	H	α-helix	trans	-63.3	-40.3	171.3	-66.1	-28.3	0	0	0	113.2	L349 R351 I357	L349-Y353 HydrophobicContact CD1-CE1 4Å; L349-Y353 HydrophobicContact CD1-CE2 3.97Å; L349-Y353 HydrophobicContact CD2-CE2 3.96Å; L349-Y353 HydrophobicContact CG-CD2 4.14Å; L349-Y353 HydrophobicContact CG-CE2 3.62Å; L349-Y353 PolarHBondContact O-N 3.09Å; R351-Y353 VanDerWaalsContact C-N 3.32Å; R351-Y353 PolarHBondContact O-N 3.45Å; Y353-I357 VanDerWaalsContact O-CB 3.24Å; Y353-I357 WeakPolarHBondContact O-CB 3.4Å; Y353-I357 WeakPolarHBondContact O-CD1 3.37Å; Y353-I357 WeakPolarHBondContact O-CG1 3.48Å; Y353-I357 PolarHBondContact O-N 3.23Å
354	Q	73.5	Confident	72.8	Confident	130 Å²	130	96.6 Å²	96.6	61%	0.607	47%	0.467	S	S	*	.	H	α-helix	trans	-65.8	-38.5	176.1	-75.7	175.5	32.7	0	0	112.8	L350 R351 K358	L350-Q354 WeakPolarHBondContact O-CB 3.39Å; L350-Q354 VanDerWaalsContact O-CG 3.23Å; L350-Q354 WeakPolarHBondContact O-CG 3.45Å; L350-Q354 PolarHBondContact O-N 3.49Å; R351-Q354 CarbonylContact O-C 3.6Å; R351-Q354 PolarHBondContact O-N 3.13Å; Q354-K358 VanDerWaalsContact O-CB 3.24Å; Q354-K358 WeakPolarHBondContact O-CB 3.41Å; Q354-K358 PolarHBondContact O-N 3Å
355	E	75.5	Confident	72.4	Confident	118 Å²	118	96.4 Å²	96.4	55%	0.551	47%	0.474	S	S	*	.	H	α-helix	trans	-68	-44.1	176.7	-75.2	-174.9	-165.5	0	0	111.5	R351 E352 K358 R359	R351-E355 WeakPolarHBondContact CD-OE1 3.28Å; R351-E355 HydrophobicContact CG-CG 4.22Å; R351-E355 WeakPolarHBondContact CG-OE1 3.35Å; R351-E355 PolarHBondContact O-N 2.93Å; E352-E355 PolarHBondContact O-N 3.36Å; E355-K358 WeakPolarHBondContact O-CB 3.25Å; E355-K358 PolarHBondContact O-N 2.92Å; E355-R359 WeakPolarHBondContact O-CB 3.48Å; E355-R359 PolarHBondContact O-N 3.14Å
356	E	73.7	Confident	72.2	Confident	74 Å²	74	99.8 Å²	99.8	35%	0.346	48%	0.482	S	S	.	.	H	α-helix	trans	-71	-37.7	177	-167.3	57.9	-148	0	0	111.6	E352 K358 R359 L360	E352-E356 PolarHBondContact O-N 2.91Å; E356-K358 VanDerWaalsContact C-N 3.28Å; E356-K358 PolarHBondContact O-N 3.08Å; E356-R359 WeakPolarHBondContact O-CB 3.2Å; E356-R359 PolarHBondContact O-N 2.87Å; E356-R359 WeakPolarHBondContact OE1-CD 3.37Å; E356-R359 IonicContact OE1-NH1 2.69Å; E356-R359 WeakPolarHBondContact OE2-CD 3.41Å; E356-R359 IonicContact OE2-CZ 3.77Å; E356-R359 IonicContact OE2-NE 2.56Å; E356-R359 IonicContact OE2-NH1 2.9Å; E356-R359 PolarHBondContact OE2-NH1 3.13Å; E356-L360 HydrophobicContact CG-CD1 4.18Å; E356-L360 HydrophobicContact CG-CG 4.41Å; E356-L360 WeakPolarHBondContact O-CB 3.43Å; E356-L360 VanDerWaalsContact O-CG 3.26Å; E356-L360 WeakPolarHBondContact O-CG 3.2Å; E356-L360 PolarHBondContact O-N 3.41Å
357	I	73.2	Confident	71.7	Confident	86 Å²	86	99.5 Å²	99.5	44%	0.441	48%	0.483	S	S	.	.	H	α-helix	trans	-58.6	-40.7	169.2	-73.3	165.6	0	0	0	111	Y353 K361	Y353-I357 VanDerWaalsContact O-CB 3.24Å; Y353-I357 WeakPolarHBondContact O-CB 3.4Å; Y353-I357 WeakPolarHBondContact O-CD1 3.37Å; Y353-I357 WeakPolarHBondContact O-CG1 3.48Å; Y353-I357 PolarHBondContact O-N 3.23Å; I357-K361 HydrophobicContact CG2-CD 4Å; I357-K361 VanDerWaalsContact O-CB 3.31Å; I357-K361 WeakPolarHBondContact O-CB 3.41Å; I357-K361 VanDerWaalsContact O-CG 3.22Å; I357-K361 WeakPolarHBondContact O-CG 3.49Å; I357-K361 PolarHBondContact O-N 2.98Å
358	K	75.4	Confident	70.7	Confident	159 Å²	159	104.4 Å²	104.4	69%	0.691	51%	0.507	S	S	*	.	H	α-helix	trans	-67.7	-39.1	176.6	-177.6	-179.8	178.6	-177.8	0	111.7	Q354 E355 E356 A362	Q354-K358 VanDerWaalsContact O-CB 3.24Å; Q354-K358 WeakPolarHBondContact O-CB 3.41Å; Q354-K358 PolarHBondContact O-N 3Å; E355-K358 WeakPolarHBondContact O-CB 3.25Å; E355-K358 PolarHBondContact O-N 2.92Å; E356-K358 VanDerWaalsContact C-N 3.28Å; E356-K358 PolarHBondContact O-N 3.08Å; K358-A362 WeakPolarHBondContact O-CB 3.36Å; K358-A362 PolarHBondContact O-N 2.94Å
359	R	76.3	Confident	69.8	Low	152 Å²	152	105 Å²	105	57%	0.574	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-48.8	175.9	-171.6	-166.6	-171.1	177.8	-1.1	111.8	E355 E356 K361 A362 I363	E355-R359 WeakPolarHBondContact O-CB 3.48Å; E355-R359 PolarHBondContact O-N 3.14Å; E356-R359 WeakPolarHBondContact O-CB 3.2Å; E356-R359 PolarHBondContact O-N 2.87Å; E356-R359 WeakPolarHBondContact OE1-CD 3.37Å; E356-R359 IonicContact OE1-NH1 2.69Å; E356-R359 WeakPolarHBondContact OE2-CD 3.41Å; E356-R359 IonicContact OE2-CZ 3.77Å; E356-R359 IonicContact OE2-NE 2.56Å; E356-R359 IonicContact OE2-NH1 2.9Å; E356-R359 PolarHBondContact OE2-NH1 3.13Å; R359-K361 VanDerWaalsContact C-N 3.34Å; R359-K361 PolarHBondContact O-N 3.3Å; R359-A362 WeakPolarHBondContact O-CB 3.19Å; R359-A362 PolarHBondContact O-N 3.12Å; R359-A362 VanDerWaalsContact O-N 3.09Å; R359-I363 HydrophobicContact CG-CD1 4.2Å; R359-I363 WeakPolarHBondContact O-CG1 3.33Å; R359-I363 PolarHBondContact O-N 2.9Å
360	L	74.2	Confident	69	Low	90 Å²	90	107.5 Å²	107.5	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-61.2	-41.9	176.1	-68.4	169.2	0	0	0	111.2	E356 A362 I363 L364	E356-L360 HydrophobicContact CG-CD1 4.18Å; E356-L360 HydrophobicContact CG-CG 4.41Å; E356-L360 WeakPolarHBondContact O-CB 3.43Å; E356-L360 VanDerWaalsContact O-CG 3.26Å; E356-L360 WeakPolarHBondContact O-CG 3.2Å; E356-L360 PolarHBondContact O-N 3.41Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.18Å; L360-I363 PolarHBondContact O-N 2.97Å; L360-L364 WeakPolarHBondContact O-CB 3.37Å; L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 2.85Å
361	K	71.9	Confident	68.1	Low	139 Å²	139	106.8 Å²	106.8	60%	0.604	55%	0.548	S	S	*	.	H	α-helix	trans	-61.5	-38	171.7	-77.3	173.3	179.3	177.6	0	113	I357 R359 A365	I357-K361 HydrophobicContact CG2-CD 4Å; I357-K361 VanDerWaalsContact O-CB 3.31Å; I357-K361 WeakPolarHBondContact O-CB 3.41Å; I357-K361 VanDerWaalsContact O-CG 3.22Å; I357-K361 WeakPolarHBondContact O-CG 3.49Å; I357-K361 PolarHBondContact O-N 2.98Å; R359-K361 VanDerWaalsContact C-N 3.34Å; R359-K361 PolarHBondContact O-N 3.3Å; K361-A365 VanDerWaalsContact O-CB 3.28Å; K361-A365 WeakPolarHBondContact O-CB 3.3Å; K361-A365 PolarHBondContact O-N 2.97Å
362	A	77	Confident	67.4	Low	48 Å²	48	108.4 Å²	108.4	40%	0.397	56%	0.563	S	S	.	*	H	α-helix	trans	-68.7	-38.8	175.8	0	0	0	0	0	112.4	K358 R359 L360 A365 Q366	K358-A362 WeakPolarHBondContact O-CB 3.36Å; K358-A362 PolarHBondContact O-N 2.94Å; R359-A362 WeakPolarHBondContact O-CB 3.19Å; R359-A362 PolarHBondContact O-N 3.12Å; R359-A362 VanDerWaalsContact O-N 3.09Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-A362 PolarHBondContact O-N 3.18Å; A362-A365 PolarHBondContact O-N 3.14Å; A362-Q366 WeakPolarHBondContact O-CG 3.39Å; A362-Q366 PolarHBondContact O-N 3.28Å
363	I	75.5	Confident	66.2	Low	67 Å²	67	106.3 Å²	106.3	34%	0.344	56%	0.556	S	S	.	*	H	α-helix	trans	-64.3	-46.6	174.3	-67.2	164	0	0	0	110.3	R359 L360 A365 Q366 Q367	R359-I363 HydrophobicContact CG-CD1 4.2Å; R359-I363 WeakPolarHBondContact O-CG1 3.33Å; R359-I363 PolarHBondContact O-N 2.9Å; L360-I363 PolarHBondContact O-N 2.97Å; I363-A365 VanDerWaalsContact C-N 3.34Å; I363-A365 PolarHBondContact O-N 3.03Å; I363-Q366 PolarHBondContact O-N 3.06Å; I363-Q366 VanDerWaalsContact O-N 3.12Å; I363-Q367 WeakPolarHBondContact O-CG 3.09Å; I363-Q367 PolarHBondContact O-N 3.41Å
364	L	67.9	Low	65.1	Low	94 Å²	94	104.1 Å²	104.1	49%	0.492	56%	0.56	S	S	.	*	H	α-helix	trans	-59.1	-42.6	174.3	-74.7	164.7	0	0	0	112	L360 Q366 Q367 M368	L360-L364 WeakPolarHBondContact O-CB 3.37Å; L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 2.85Å; L364-Q366 VanDerWaalsContact C-N 3.27Å; L364-Q366 PolarHBondContact O-N 3.13Å; L364-Q367 PolarHBondContact O-N 3.29Å; L364-M368 WeakPolarHBondContact O-CB 3.24Å; L364-M368 WeakPolarHBondContact O-CG 3.29Å; L364-M368 PolarHBondContact O-N 3.11Å
365	A	69.2	Low	64.2	Low	58 Å²	58	101.5 Å²	101.5	48%	0.479	56%	0.561	S	S	.	*	H	α-helix	trans	-69.5	-19.4	176.8	0	0	0	0	0	114.1	K361 A362 I363	K361-A365 VanDerWaalsContact O-CB 3.28Å; K361-A365 WeakPolarHBondContact O-CB 3.3Å; K361-A365 PolarHBondContact O-N 2.97Å; A362-A365 PolarHBondContact O-N 3.14Å; I363-A365 VanDerWaalsContact C-N 3.34Å; I363-A365 PolarHBondContact O-N 3.03Å
366	Q	66	Low	63.2	Low	170 Å²	170	102.2 Å²	102.2	79%	0.794	57%	0.568	S	S	*	*	H	α-helix	trans	-85.2	-26.7	170.2	-73.2	176.4	6.5	0	0	112.5	A362 I363 L364	A362-Q366 WeakPolarHBondContact O-CG 3.39Å; A362-Q366 PolarHBondContact O-N 3.28Å; I363-Q366 PolarHBondContact O-N 3.06Å; I363-Q366 VanDerWaalsContact O-N 3.12Å; L364-Q366 VanDerWaalsContact C-N 3.27Å; L364-Q366 PolarHBondContact O-N 3.13Å
367	Q	57.6	Low	62.3	Low	151 Å²	151	105.1 Å²	105.1	71%	0.706	59%	0.585	S	S	*	*	H	α-helix	trans	-87.5	-24.4	177.9	-69	178.9	2	0	0	113.4	I363 L364	I363-Q367 WeakPolarHBondContact O-CG 3.09Å; I363-Q367 PolarHBondContact O-N 3.41Å; L364-Q367 PolarHBondContact O-N 3.29Å
368	M	47.7	Very low	61.1	Low	111 Å²	111	105 Å²	105	55%	0.547	59%	0.592	S	S	.	*	S	Bend	trans	-107.6	114	179.1	-59.2	-171.4	83	0	0	111.3	L364	L364-M368 WeakPolarHBondContact O-CB 3.24Å; L364-M368 WeakPolarHBondContact O-CG 3.29Å; L364-M368 PolarHBondContact O-N 3.11Å
369	G	51.4	Low	59.8	Low	53 Å²	53	102.5 Å²	102.5	55%	0.546	59%	0.59	S	S	.	*			trans	-60.1	154.1	-177.3	0	0	0	0	0	114.3	G371	G369-G371 PolarHBondContact O-N 2.85Å
370	P	53.3	Low	58.2	Low	129 Å²	129	103.8 Å²	103.8	84%	0.838	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-0.4	-162.4	25.4	-35.7	0	0	0	116.8
371	G	51.8	Low	56.4	Low	59 Å²	59	105.2 Å²	105.2	61%	0.608	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-38.2	-179.9	0	0	0	0	0	114.7	G369	G369-G371 PolarHBondContact O-N 2.85Å
372	N	57.2	Low	54.9	Low	120 Å²	120	104.8 Å²	104.8	64%	0.642	63%	0.627	S	S	*	*	S	Bend	trans	-89.1	-19.7	-164.3	-71.4	7.1	0	0	0	114.9
373	L	49	Very low	53.3	Low	88 Å²	88	108.6 Å²	108.6	46%	0.461	65%	0.647	S	S	.	*	S	Bend	trans	-76.1	-32.9	-176.8	-88.5	162	0	0	0	113.6	A375 L376 L377	L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.29Å; L373-L376 PolarHBondContact O-N 3.03Å; L373-L377 HydrophobicContact CB-CD1 4.43Å; L373-L377 HydrophobicContact CD2-CD1 4.15Å; L373-L377 PolarHBondContact O-N 3.04Å
374	S	50.2	Low	51.5	Low	90 Å²	90	108.7 Å²	108.7	63%	0.629	67%	0.665	S	S	*	*	H	α-helix	trans	-65.6	-32.1	-175.8	-160.6	0	0	0	0	113	S378	S374-S378 PolarHBondContact O-OG 3.27Å
375	A	53.3	Low	50	Low	75 Å²	75	110.5 Å²	110.5	62%	0.62	68%	0.682	S	S	*	*	H	α-helix	trans	-76	-19.6	178.8	0	0	0	0	0	114.2	L373	L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.29Å
376	L	54.6	Low	48.6	Very low	133 Å²	133	114.7 Å²	114.7	70%	0.696	70%	0.702	S	S	*	*	H	α-helix	trans	-96.2	-33.4	-180	-88.4	161.2	0	0	0	113	L373 T379	L373-L376 PolarHBondContact O-N 3.03Å; L376-T379 PolarHBondContact O-OG1 3.45Å
377	L	56	Low	47.1	Very low	136 Å²	136	115 Å²	115	71%	0.712	70%	0.703	S	S	*	*	H	α-helix	trans	-82.5	-11.5	-176.5	-72.3	166.2	0	0	0	114.6	L373 T379	L373-L377 HydrophobicContact CB-CD1 4.43Å; L373-L377 HydrophobicContact CD2-CD1 4.15Å; L373-L377 PolarHBondContact O-N 3.04Å; L377-T379 VanDerWaalsContact C-N 3.33Å; L377-T379 PolarHBondContact O-N 3.4Å
378	S	48.6	Very low	46.2	Very low	83 Å²	83	112.5 Å²	112.5	58%	0.58	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	8.1	-173.9	40.6	0	0	0	0	114.9	S374	S374-S378 PolarHBondContact O-OG 3.27Å
379	T	46.8	Very low	45.7	Very low	107 Å²	107	116.4 Å²	116.4	66%	0.656	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	4.9	-173.5	52.2	0	0	0	0	115.1	L376 L377	L376-T379 PolarHBondContact O-OG1 3.45Å; L377-T379 VanDerWaalsContact C-N 3.33Å; L377-T379 PolarHBondContact O-N 3.4Å
380	Q	42.4	Very low	45.1	Very low	178 Å²	178	121.1 Å²	121.1	83%	0.832	73%	0.727	S	S	*	*			trans	-128.8	59.1	-172.9	-66.5	-172.4	49.4	0	0	114.5
381	T	37	Very low	44.2	Very low	121 Å²	121	123.1 Å²	123.1	74%	0.742	72%	0.723	S	S	*	*			trans	-142.5	119	161.3	43.3	0	0	0	0	110.3	P383	T381-P383 WeakPolarHBondContact O-CD 3.27Å
382	P	41.2	Very low	43.6	Very low	130 Å²	130	127 Å²	127	84%	0.844	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-88.1	123.4	-176.2	32.3	-32.7	0	0	0	113.2
383	P	42.8	Very low	42.9	Very low	127 Å²	127	128.9 Å²	128.9	83%	0.825	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-83.9	151.5	166.6	-6.3	25.9	0	0	0	111.7	T381	T381-P383 WeakPolarHBondContact O-CD 3.27Å
384	G	38.2	Very low	42.3	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-74.4	163.5	176.7	0	0	0	0	0	114.4
385	P	36.1	Very low	42	Very low	131 Å²	131	129.3 Å²	129.3	85%	0.851	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-96.2	122.3	-164.6	34.8	-33.2	0	0	0	114.8
386	V	38.4	Very low	41.3	Very low	146 Å²	146	131 Å²	131	89%	0.885	75%	0.749	S	S	*	*			trans	-138.7	141.5	155	-167.8	0	0	0	0	110.4
387	Q	35.3	Very low	40.9	Very low	176 Å²	176	129.9 Å²	129.9	82%	0.822	75%	0.748	S	S	*	*			trans	-66.5	175.5	-163.2	-60.4	163.1	-11.8	0	0	117.4
388	S	38.8	Very low	40.5	Very low	100 Å²	100	128 Å²	128	70%	0.699	74%	0.742	S	S	*	*			trans	90.1	105.1	157.9	-51.4	0	0	0	0	118.2
389	E	36.8	Very low	40.4	Very low	193 Å²	193	130.4 Å²	130.4	90%	0.902	74%	0.744	S	S	*	*				48.6	138.5	119.8	-58.8	-177.6	145.6	0	0	119.1
390	E	38.4	Very low	40.4	Very low	152 Å²	152	132.3 Å²	132.3	71%	0.71	75%	0.745	S	S	*	*			cis	-153.2	159.5	38.4	171.3	159.9	-143.8	0	0	113.9
391	K	36.3	Very low	41	Very low	170 Å²	170	129.5 Å²	129.5	74%	0.739	74%	0.736	S	S	*	*			trans	-2.4	154.9	156.3	-70.3	176.9	-159.3	121.7	0	120.4
392	L	39.1	Very low	41.9	Very low	141 Å²	141	126.1 Å²	126.1	74%	0.738	72%	0.715	S	S	*	*			cis	-177.3	147.3	-7.1	177.7	77.8	0	0	0	108.2
393	L	42.3	Very low	43	Very low	159 Å²	159	125.6 Å²	125.6	83%	0.832	70%	0.702	S	S	*	*			trans	157.4	153.1	132.3	-82.1	162.8	0	0	0	112.9
394	S	35.9	Very low	44.4	Very low	87 Å²	87	122.2 Å²	122.2	61%	0.608	68%	0.684	S	S	*	*			trans	-99.3	159.7	-162.1	54.6	0	0	0	0	115.3
395	P	42.7	Very low	46	Very low	101 Å²	101	124.8 Å²	124.8	66%	0.656	68%	0.677	S	S	*	*				-135.5	102.7	115.6	35.1	-23.9	0	0	0	113.4	T397	P395-T397 PolarHBondContact O-N 2.98Å
396	T	39	Very low	47.8	Very low	111 Å²	111	124.4 Å²	124.4	68%	0.681	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	37.2	-171.3	-29.7	0	0	0	0	114.7
397	T	46.2	Very low	49.6	Very low	109 Å²	109	123.5 Å²	123.5	67%	0.669	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	-28.6	-173.3	-42.8	0	0	0	0	113.5	P395	P395-T397 PolarHBondContact O-N 2.98Å
398	V	48.6	Very low	51.8	Low	96 Å²	96	120.6 Å²	120.6	58%	0.582	64%	0.638	S	S	*	*	H	α-helix	trans	-82.4	-21.4	-177.5	-175	0	0	0	0	112.6
399	Q	46.1	Very low	53.7	Low	133 Å²	133	120.3 Å²	120.3	62%	0.621	63%	0.628	S	S	*	*	H	α-helix	trans	-71	-36.9	-173.1	-73	178.3	-33.9	0	0	113.2	D401 T402 E403	Q399-D401 PolarHBondContact O-N 2.95Å; Q399-T402 PolarHBondContact O-N 3.24Å; Q399-T402 PolarHBondContact O-OG1 3.46Å; Q399-E403 PolarHBondContact O-N 3.35Å; Q399-E403 VanDerWaalsContact O-N 3.16Å
400	Q	47.2	Very low	55.6	Low	147 Å²	147	118.8 Å²	118.8	69%	0.687	61%	0.614	S	S	*	*	H	α-helix	trans	-63.7	-42.2	-177.6	-68.8	-172.5	-49.3	0	0	112.5	T402 E403 A404	Q400-T402 VanDerWaalsContact C-N 3.3Å; Q400-T402 PolarHBondContact O-N 3.28Å; Q400-E403 PolarHBondContact O-N 2.83Å; Q400-E403 VanDerWaalsContact O-N 3.11Å; Q400-A404 PolarHBondContact O-N 3.16Å
401	D	53.8	Low	57.8	Low	119 Å²	119	117.8 Å²	117.8	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-59.1	-42.6	175.5	-63.2	-22.6	0	0	0	111.1	Q399 E403 A404 E405	Q399-D401 PolarHBondContact O-N 2.95Å; D401-E403 VanDerWaalsContact C-N 3.26Å; D401-E403 PolarHBondContact O-N 2.93Å; D401-A404 PolarHBondContact O-N 3.4Å; D401-E405 WeakPolarHBondContact O-CB 3.43Å; D401-E405 PolarHBondContact O-N 3.4Å
402	T	56.3	Low	60	Low	51 Å²	51	114.4 Å²	114.4	31%	0.313	60%	0.596	S	S	.	*	H	α-helix	trans	-74.8	-7.7	178.5	72.5	0	0	0	0	114.9	Q399 Q400 K406	Q399-T402 PolarHBondContact O-N 3.24Å; Q399-T402 PolarHBondContact O-OG1 3.46Å; Q400-T402 VanDerWaalsContact C-N 3.3Å; Q400-T402 PolarHBondContact O-N 3.28Å; T402-K406 WeakPolarHBondContact O-CD 3.44Å; T402-K406 VanDerWaalsContact O-CE 3.29Å; T402-K406 WeakPolarHBondContact O-CE 3.06Å; T402-K406 WeakPolarHBondContact O-CG 3.41Å; T402-K406 PolarHBondContact O-NZ 3.02Å
403	E	65.2	Low	61.8	Low	119 Å²	119	115.4 Å²	115.4	56%	0.556	59%	0.591	S	S	*	*	H	α-helix	trans	-94.6	-39.3	170.5	-72.1	-171.1	154.2	0	0	110.7	Q399 Q400 D401 K406 Q407	Q399-E403 PolarHBondContact O-N 3.35Å; Q399-E403 VanDerWaalsContact O-N 3.16Å; Q400-E403 PolarHBondContact O-N 2.83Å; Q400-E403 VanDerWaalsContact O-N 3.11Å; D401-E403 VanDerWaalsContact C-N 3.26Å; D401-E403 PolarHBondContact O-N 2.93Å; E403-K406 PolarHBondContact O-N 2.99Å; E403-Q407 WeakPolarHBondContact O-CG 3.14Å; E403-Q407 PolarHBondContact O-N 3.28Å
404	A	71.5	Confident	63.7	Low	55 Å²	55	113.8 Å²	113.8	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-59.9	-45.7	170.5	0	0	0	0	0	111.7	Q400 D401 K406 Q407 L408	Q400-A404 PolarHBondContact O-N 3.16Å; D401-A404 PolarHBondContact O-N 3.4Å; A404-K406 VanDerWaalsContact C-N 3.32Å; A404-K406 PolarHBondContact O-N 3.43Å; A404-Q407 PolarHBondContact O-N 3.01Å; A404-Q407 VanDerWaalsContact O-N 3.16Å; A404-L408 WeakPolarHBondContact O-CB 3.2Å; A404-L408 PolarHBondContact O-N 3.45Å
405	E	72.9	Confident	66.1	Low	124 Å²	124	114.4 Å²	114.4	58%	0.579	57%	0.572	S	S	*	*	H	α-helix	trans	-60.5	-39.4	176.2	-172	178.3	-141.8	0	0	112	D401 L408 I409	D401-E405 WeakPolarHBondContact O-CB 3.43Å; D401-E405 PolarHBondContact O-N 3.4Å; E405-L408 PolarHBondContact O-N 3.27Å; E405-I409 HydrophobicContact CG-CD1 4Å; E405-I409 WeakPolarHBondContact O-CB 3.36Å; E405-I409 VanDerWaalsContact O-CG1 3.24Å; E405-I409 WeakPolarHBondContact O-CG1 3.45Å; E405-I409 PolarHBondContact O-N 2.85Å
406	K	72.2	Confident	68	Low	124 Å²	124	117.1 Å²	117.1	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-71.2	-28	176.2	-73.6	173.9	-164.6	127.1	0	113.8	T402 E403 A404 R410	T402-K406 WeakPolarHBondContact O-CD 3.44Å; T402-K406 VanDerWaalsContact O-CE 3.29Å; T402-K406 WeakPolarHBondContact O-CE 3.06Å; T402-K406 WeakPolarHBondContact O-CG 3.41Å; T402-K406 PolarHBondContact O-NZ 3.02Å; E403-K406 PolarHBondContact O-N 2.99Å; A404-K406 VanDerWaalsContact C-N 3.32Å; A404-K406 PolarHBondContact O-N 3.43Å; K406-R410 WeakPolarHBondContact O-CB 3.23Å; K406-R410 PolarHBondContact O-N 3.48Å
407	Q	77	Confident	69.9	Low	126 Å²	126	116.2 Å²	116.2	59%	0.589	56%	0.56	S	S	*	*	H	α-helix	trans	-72.6	-48.4	172.4	-74	174.2	-1	0	0	109.8	E403 A404 I409 R410 E411	E403-Q407 WeakPolarHBondContact O-CG 3.14Å; E403-Q407 PolarHBondContact O-N 3.28Å; A404-Q407 PolarHBondContact O-N 3.01Å; A404-Q407 VanDerWaalsContact O-N 3.16Å; Q407-I409 PolarHBondContact O-N 3.2Å; Q407-R410 CarbonylContact O-C 3.57Å; Q407-R410 WeakPolarHBondContact O-CA 3.34Å; Q407-R410 WeakPolarHBondContact O-CB 3.48Å; Q407-R410 PolarHBondContact O-N 2.86Å; Q407-E411 PolarHBondContact O-N 3.23Å
408	L	81.7	Confident	71.7	Confident	116 Å²	116	113.8 Å²	113.8	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-62.4	-40.4	-179.7	-161.4	152.8	0	0	0	112.3	A404 E405 R410 E411 E412	A404-L408 WeakPolarHBondContact O-CB 3.2Å; A404-L408 PolarHBondContact O-N 3.45Å; E405-L408 PolarHBondContact O-N 3.27Å; L408-R410 VanDerWaalsContact C-N 3.29Å; L408-R410 PolarHBondContact O-N 2.8Å; L408-E411 PolarHBondContact O-N 3.38Å; L408-E412 PolarHBondContact O-N 3.05Å
409	I	77.8	Confident	73.6	Confident	93 Å²	93	116.4 Å²	116.4	48%	0.477	55%	0.55	S	S	.	*	H	α-helix	trans	-62.8	-34.3	171.6	-70.9	167	0	0	0	111.8	E405 Q407 Y413	E405-I409 HydrophobicContact CG-CD1 4Å; E405-I409 WeakPolarHBondContact O-CB 3.36Å; E405-I409 VanDerWaalsContact O-CG1 3.24Å; E405-I409 WeakPolarHBondContact O-CG1 3.45Å; E405-I409 PolarHBondContact O-N 2.85Å; Q407-I409 PolarHBondContact O-N 3.2Å; I409-Y413 WeakPolarHBondContact O-CB 3.45Å; I409-Y413 PolarHBondContact O-N 3Å
410	R	78.4	Confident	75.2	Confident	162 Å²	162	116 Å²	116	61%	0.611	55%	0.552	S	S	*	*	H	α-helix	trans	-73.1	-42.7	178	-170	-175.9	-56.7	-167.7	2.2	111.4	K406 Q407 L408 Y413 E414	K406-R410 WeakPolarHBondContact O-CB 3.23Å; K406-R410 PolarHBondContact O-N 3.48Å; Q407-R410 CarbonylContact O-C 3.57Å; Q407-R410 WeakPolarHBondContact O-CA 3.34Å; Q407-R410 WeakPolarHBondContact O-CB 3.48Å; Q407-R410 PolarHBondContact O-N 2.86Å; L408-R410 VanDerWaalsContact C-N 3.29Å; L408-R410 PolarHBondContact O-N 2.8Å; R410-Y413 WeakPolarHBondContact O-CB 3.46Å; R410-Y413 PolarHBondContact O-N 3.01Å; R410-Y413 VanDerWaalsContact O-N 3.15Å; R410-E414 WeakPolarHBondContact CD-OE1 3.17Å; R410-E414 WeakPolarHBondContact CG-OE1 3.45Å; R410-E414 WeakPolarHBondContact O-CG 3.18Å; R410-E414 PolarHBondContact O-N 2.95Å
411	E	83.6	Confident	77.1	Confident	131 Å²	131	115 Å²	115	61%	0.612	55%	0.545	S	S	*	.	H	α-helix	trans	-61.3	-44.2	174.3	-69.8	177.7	167.3	0	0	111	Q407 L408 Y413 E414 E415	Q407-E411 PolarHBondContact O-N 3.23Å; L408-E411 PolarHBondContact O-N 3.38Å; E411-Y413 VanDerWaalsContact C-N 3.29Å; E411-Y413 PolarHBondContact O-N 3.07Å; E411-E414 PolarHBondContact O-N 3.28Å; E411-E415 WeakPolarHBondContact O-CB 3.29Å; E411-E415 PolarHBondContact O-N 3.37Å
412	E	82.8	Confident	78.7	Confident	99 Å²	99	111.9 Å²	111.9	46%	0.463	54%	0.536	S	S	.	.	H	α-helix	trans	-59.1	-40.9	172.4	-165.5	-159.3	150	0	0	111.3	L408 R416	L408-E412 PolarHBondContact O-N 3.05Å; E412-R416 WeakPolarHBondContact O-CB 3.44Å; E412-R416 PolarHBondContact O-N 2.92Å; E412-R416 IonicContact OE1-CZ 3.29Å; E412-R416 IonicContact OE1-NH1 3.68Å; E412-R416 PolarHBondContact OE1-NH1 3.23Å
413	Y	76.9	Confident	80.1	Confident	162 Å²	162	114.5 Å²	114.5	64%	0.635	55%	0.548	S	S	*	.	H	α-helix	trans	-68	-42.3	179.8	-146.7	-84.9	0	0	0	112.3	I409 R410 E411 R416 L417	I409-Y413 WeakPolarHBondContact O-CB 3.45Å; I409-Y413 PolarHBondContact O-N 3Å; R410-Y413 WeakPolarHBondContact O-CB 3.46Å; R410-Y413 PolarHBondContact O-N 3.01Å; R410-Y413 VanDerWaalsContact O-N 3.15Å; E411-Y413 VanDerWaalsContact C-N 3.29Å; E411-Y413 PolarHBondContact O-N 3.07Å; Y413-R416 PolarHBondContact O-N 3.42Å; Y413-L417 HydrophobicContact CD1-CD1 4.39Å; Y413-L417 HydrophobicContact CE1-CD1 4.37Å; Y413-L417 WeakPolarHBondContact O-CB 3.41Å; Y413-L417 PolarHBondContact O-N 2.94Å
414	E	82.9	Confident	81	Confident	125 Å²	125	115.5 Å²	115.5	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-68.3	-40.7	177.3	-72.8	177.5	-156.4	0	0	111.4	R410 E411 L417 A418	R410-E414 WeakPolarHBondContact CD-OE1 3.17Å; R410-E414 WeakPolarHBondContact CG-OE1 3.45Å; R410-E414 WeakPolarHBondContact O-CG 3.18Å; R410-E414 PolarHBondContact O-N 2.95Å; E411-E414 PolarHBondContact O-N 3.28Å; E414-L417 PolarHBondContact O-N 2.94Å; E414-A418 PolarHBondContact O-N 3.49Å
415	E	85.3	Confident	81.7	Confident	100 Å²	100	118.6 Å²	118.6	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-63.6	-42.4	173.6	-157	-153.5	148.5	0	0	111.6	E411 L417 A418 R419	E411-E415 WeakPolarHBondContact O-CB 3.29Å; E411-E415 PolarHBondContact O-N 3.37Å; E415-L417 VanDerWaalsContact C-N 3.28Å; E415-L417 PolarHBondContact O-N 2.95Å; E415-A418 PolarHBondContact O-N 2.93Å; E415-R419 WeakPolarHBondContact O-CG 3.25Å; E415-R419 PolarHBondContact O-N 2.75Å; E415-R419 IonicContact OE1-CZ 3.06Å; E415-R419 IonicContact OE1-NE 3.82Å; E415-R419 PolarHBondContact OE1-NE 2.78Å; E415-R419 IonicContact OE1-NH2 3.72Å; E415-R419 PolarHBondContact OE1-NH2 3.25Å; E415-R419 IonicContact OE2-NH2 2.83Å
416	R	82.5	Confident	82.4	Confident	158 Å²	158	115.4 Å²	115.4	60%	0.596	55%	0.547	S	S	*	.	H	α-helix	trans	-63.6	-34.1	176.5	-163	-176.4	-142.4	117.6	1.1	112.2	E412 Y413 L420	E412-R416 WeakPolarHBondContact O-CB 3.44Å; E412-R416 PolarHBondContact O-N 2.92Å; E412-R416 IonicContact OE1-CZ 3.29Å; E412-R416 IonicContact OE1-NH1 3.68Å; E412-R416 PolarHBondContact OE1-NH1 3.23Å; Y413-R416 PolarHBondContact O-N 3.42Å; R416-L420 WeakPolarHBondContact O-CB 3.42Å; R416-L420 PolarHBondContact O-N 3.5Å; R416-L420 VanDerWaalsContact O-N 3.09Å
417	L	78	Confident	82.8	Confident	92 Å²	92	115.8 Å²	115.8	48%	0.482	55%	0.551	S	S	.	*	H	α-helix	trans	-74.6	-34.2	175.9	-137.7	153.5	0	0	0	111.7	Y413 E414 E415 K421	Y413-L417 HydrophobicContact CD1-CD1 4.39Å; Y413-L417 HydrophobicContact CE1-CD1 4.37Å; Y413-L417 WeakPolarHBondContact O-CB 3.41Å; Y413-L417 PolarHBondContact O-N 2.94Å; E414-L417 PolarHBondContact O-N 2.94Å; E415-L417 VanDerWaalsContact C-N 3.28Å; E415-L417 PolarHBondContact O-N 2.95Å; L417-K421 PolarHBondContact O-N 3.18Å
418	A	85.8	Confident	83	Confident	58 Å²	58	113 Å²	113	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-67.6	-45.2	171.8	0	0	0	0	0	112.1	E414 E415 L420 K421 A422	E414-A418 PolarHBondContact O-N 3.49Å; E415-A418 PolarHBondContact O-N 2.93Å; A418-L420 PolarHBondContact O-N 3.33Å; A418-K421 PolarHBondContact O-N 3Å; A418-A422 PolarHBondContact O-N 2.88Å
419	R	87.4	Confident	83.2	Confident	151 Å²	151	112.6 Å²	112.6	57%	0.57	53%	0.533	S	S	*	.	H	α-helix	trans	-57.5	-48.4	173.8	-70.5	178.5	-174	-154.9	9.8	111.4	E415 K421 A422 D423	E415-R419 WeakPolarHBondContact O-CG 3.25Å; E415-R419 PolarHBondContact O-N 2.75Å; E415-R419 IonicContact OE1-CZ 3.06Å; E415-R419 IonicContact OE1-NE 3.82Å; E415-R419 PolarHBondContact OE1-NE 2.78Å; E415-R419 IonicContact OE1-NH2 3.72Å; E415-R419 PolarHBondContact OE1-NH2 3.25Å; E415-R419 IonicContact OE2-NH2 2.83Å; R419-K421 VanDerWaalsContact C-N 3.26Å; R419-K421 PolarHBondContact O-N 3.41Å; R419-A422 PolarHBondContact O-N 3.4Å; R419-D423 VanDerWaalsContact O-CG 3.28Å; R419-D423 PolarHBondContact O-N 3.45Å
420	L	79.9	Confident	83.5	Confident	123 Å²	123	111.7 Å²	111.7	64%	0.644	54%	0.535	S	S	*	.	H	α-helix	trans	-62.9	-29.6	179.6	-170.3	66.2	0	0	0	113.5	R416 A418 Y424	R416-L420 WeakPolarHBondContact O-CB 3.42Å; R416-L420 PolarHBondContact O-N 3.5Å; R416-L420 VanDerWaalsContact O-N 3.09Å; A418-L420 PolarHBondContact O-N 3.33Å; L420-Y424 WeakPolarHBondContact O-CB 3.33Å; L420-Y424 PolarHBondContact O-N 3.49Å
421	K	86.8	Confident	83.7	Confident	127 Å²	127	111.9 Å²	111.9	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-69.8	-47.4	169.9	-79	-173.5	173.4	-170.6	0	112.1	L417 A418 R419 D423 Y424 E425	L417-K421 PolarHBondContact O-N 3.18Å; A418-K421 PolarHBondContact O-N 3Å; R419-K421 VanDerWaalsContact C-N 3.26Å; R419-K421 PolarHBondContact O-N 3.41Å; K421-D423 VanDerWaalsContact C-N 3.3Å; K421-D423 PolarHBondContact O-N 2.93Å; K421-Y424 PolarHBondContact O-N 2.89Å; K421-Y424 VanDerWaalsContact O-N 3.16Å; K421-E425 WeakPolarHBondContact O-CB 3.35Å; K421-E425 WeakPolarHBondContact O-CG 3.25Å; K421-E425 PolarHBondContact O-N 3.33Å
422	A	88.8	Confident	84	Confident	54 Å²	54	109.6 Å²	109.6	45%	0.446	53%	0.531	S	S	.	.	H	α-helix	trans	-60.9	-39.5	178.3	0	0	0	0	0	111.9	A418 R419 E425 A426	A418-A422 PolarHBondContact O-N 2.88Å; R419-A422 PolarHBondContact O-N 3.4Å; A422-E425 PolarHBondContact O-N 3.5Å; A422-A426 VanDerWaalsContact O-CB 3.26Å; A422-A426 WeakPolarHBondContact O-CB 3.4Å; A422-A426 PolarHBondContact O-N 3.42Å
423	D	84.5	Confident	84.3	Confident	105 Å²	105	111.9 Å²	111.9	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-61.5	-44.8	173.8	-66.2	-30.5	0	0	0	111.3	R419 K421 E427	R419-D423 VanDerWaalsContact O-CG 3.28Å; R419-D423 PolarHBondContact O-N 3.45Å; K421-D423 VanDerWaalsContact C-N 3.3Å; K421-D423 PolarHBondContact O-N 2.93Å; D423-E427 WeakPolarHBondContact O-CB 3.36Å; D423-E427 PolarHBondContact O-N 3.45Å
424	Y	83.9	Confident	84.7	Confident	140 Å²	140	109.2 Å²	109.2	55%	0.549	53%	0.531	S	S	.	.	H	α-helix	trans	-66.8	-41.6	177.3	178.3	-96.9	0	0	0	112.7	L420 K421 E427 Q428	L420-Y424 WeakPolarHBondContact O-CB 3.33Å; L420-Y424 PolarHBondContact O-N 3.49Å; K421-Y424 PolarHBondContact O-N 2.89Å; K421-Y424 VanDerWaalsContact O-N 3.16Å; Y424-E427 PolarHBondContact O-N 2.89Å; Y424-Q428 HydrophobicContact CD1-CG 4.35Å; Y424-Q428 HydrophobicContact CE1-CG 3.96Å; Y424-Q428 VanDerWaalsContact CZ-NE2 3.31Å; Y424-Q428 WeakPolarHBondContact O-CG 3.39Å; Y424-Q428 PolarHBondContact O-N 3.37Å; Y424-Q428 PolarHBondContact OH-NE2 3.16Å
425	E	86.9	Confident	84.7	Confident	120 Å²	120	109.4 Å²	109.4	56%	0.561	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-42.2	177.2	-73.4	164.3	-165.6	0	0	110.8	K421 A422 E427 Q428 E429	K421-E425 WeakPolarHBondContact O-CB 3.35Å; K421-E425 WeakPolarHBondContact O-CG 3.25Å; K421-E425 PolarHBondContact O-N 3.33Å; A422-E425 PolarHBondContact O-N 3.5Å; E425-E427 PolarHBondContact O-N 2.86Å; E425-Q428 PolarHBondContact O-N 3.39Å; E425-E429 PolarHBondContact O-N 3.09Å
426	A	87.1	Confident	84.8	Confident	57 Å²	57	110 Å²	110	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-64.6	-35.1	172.2	0	0	0	0	0	113.1	A422 S430	A422-A426 VanDerWaalsContact O-CB 3.26Å; A422-A426 WeakPolarHBondContact O-CB 3.4Å; A422-A426 PolarHBondContact O-N 3.42Å; A426-S430 VanDerWaalsContact O-CB 3.26Å; A426-S430 WeakPolarHBondContact O-CB 3.21Å; A426-S430 PolarHBondContact O-N 2.72Å
427	E	81.4	Confident	85	Confident	132 Å²	132	107.5 Å²	107.5	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-69.1	-37.7	173.7	-170.3	173.1	-151	0	0	111.9	D423 Y424 E425 S430 R431	D423-E427 WeakPolarHBondContact O-CB 3.36Å; D423-E427 PolarHBondContact O-N 3.45Å; Y424-E427 PolarHBondContact O-N 2.89Å; E425-E427 PolarHBondContact O-N 2.86Å; E427-S430 PolarHBondContact O-N 2.99Å; E427-R431 VanDerWaalsContact O-CB 3.27Å; E427-R431 WeakPolarHBondContact O-CB 3.29Å; E427-R431 PolarHBondContact O-N 3.23Å
428	Q	80.1	Confident	85.3	Confident	67 Å²	67	108.1 Å²	108.1	31%	0.313	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-45.3	171.5	-63.9	-52.4	-40.7	0	0	111.7	Y424 E425 S430 R431 V432	Y424-Q428 HydrophobicContact CD1-CG 4.35Å; Y424-Q428 HydrophobicContact CE1-CG 3.96Å; Y424-Q428 VanDerWaalsContact CZ-NE2 3.31Å; Y424-Q428 WeakPolarHBondContact O-CG 3.39Å; Y424-Q428 PolarHBondContact O-N 3.37Å; Y424-Q428 PolarHBondContact OH-NE2 3.16Å; E425-Q428 PolarHBondContact O-N 3.39Å; Q428-S430 PolarHBondContact O-N 3.41Å; Q428-R431 PolarHBondContact O-N 3.12Å; Q428-V432 WeakPolarHBondContact O-CG2 3.45Å; Q428-V432 PolarHBondContact O-N 2.82Å
429	E	85.8	Confident	85.4	Confident	108 Å²	108	108.6 Å²	108.6	51%	0.505	53%	0.533	S	S	.	.	H	α-helix	trans	-58	-47.7	174.3	-83.1	-162.7	-148.6	0	0	111.9	E425 R431 V432 R433	E425-E429 PolarHBondContact O-N 3.09Å; E429-R431 VanDerWaalsContact C-N 3.27Å; E429-R431 PolarHBondContact O-N 2.91Å; E429-V432 PolarHBondContact O-N 3.01Å; E429-R433 WeakPolarHBondContact O-CG 3.25Å; E429-R433 PolarHBondContact O-N 3.32Å; E429-R433 IonicContact OE2-CZ 3.14Å; E429-R433 IonicContact OE2-NE 3.82Å; E429-R433 IonicContact OE2-NH2 2.65Å; E429-R433 PolarHBondContact OE2-NH2 3.47Å
430	S	85.5	Confident	85.5	Confident	75 Å²	75	104.2 Å²	104.2	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-58.2	-40.9	176.9	-174.2	0	0	0	0	111.5	A426 E427 Q428 R433 L434	A426-S430 VanDerWaalsContact O-CB 3.26Å; A426-S430 WeakPolarHBondContact O-CB 3.21Å; A426-S430 PolarHBondContact O-N 2.72Å; E427-S430 PolarHBondContact O-N 2.99Å; Q428-S430 PolarHBondContact O-N 3.41Å; S430-R433 PolarHBondContact O-N 2.99Å; S430-L434 WeakPolarHBondContact O-CB 3.35Å; S430-L434 PolarHBondContact O-N 2.83Å
431	R	82.8	Confident	85.7	Confident	165 Å²	165	103.6 Å²	103.6	62%	0.623	52%	0.524	S	S	*	.	H	α-helix	trans	-68.8	-36.6	177.3	-172	178	179.7	-168.5	0.2	113.2	E427 Q428 E429 Q435	E427-R431 VanDerWaalsContact O-CB 3.27Å; E427-R431 WeakPolarHBondContact O-CB 3.29Å; E427-R431 PolarHBondContact O-N 3.23Å; Q428-R431 PolarHBondContact O-N 3.12Å; E429-R431 VanDerWaalsContact C-N 3.27Å; E429-R431 PolarHBondContact O-N 2.91Å; R431-Q435 WeakPolarHBondContact O-CB 3.49Å; R431-Q435 PolarHBondContact O-N 3.4Å; R431-Q435 VanDerWaalsContact O-N 3.11Å
432	V	88.6	Confident	85.5	Confident	83 Å²	83	105.2 Å²	105.2	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-51.4	172.7	170.9	0	0	0	0	109.9	Q428 E429 L434 Q435 E436	Q428-V432 WeakPolarHBondContact O-CG2 3.45Å; Q428-V432 PolarHBondContact O-N 2.82Å; E429-V432 PolarHBondContact O-N 3.01Å; V432-L434 VanDerWaalsContact C-N 3.31Å; V432-L434 PolarHBondContact O-N 2.81Å; V432-Q435 CarbonylContact O-C 3.55Å; V432-Q435 WeakPolarHBondContact O-CA 3.45Å; V432-Q435 WeakPolarHBondContact O-CB 3.37Å; V432-Q435 PolarHBondContact O-N 2.98Å; V432-E436 WeakPolarHBondContact O-CG 3.5Å; V432-E436 PolarHBondContact O-N 3.25Å
433	R	88.5	Confident	85.4	Confident	148 Å²	148	107.3 Å²	107.3	56%	0.558	53%	0.53	S	S	*	.	H	α-helix	trans	-57.9	-41.8	177.4	-66.1	178.2	-159.1	-170.1	8.4	112.2	E429 S430 Q435 E436 D437	E429-R433 WeakPolarHBondContact O-CG 3.25Å; E429-R433 PolarHBondContact O-N 3.32Å; E429-R433 IonicContact OE2-CZ 3.14Å; E429-R433 IonicContact OE2-NE 3.82Å; E429-R433 IonicContact OE2-NH2 2.65Å; E429-R433 PolarHBondContact OE2-NH2 3.47Å; S430-R433 PolarHBondContact O-N 2.99Å; R433-Q435 VanDerWaalsContact C-N 3.27Å; R433-Q435 PolarHBondContact O-N 3.5Å; R433-E436 WeakPolarHBondContact O-CB 3.4Å; R433-E436 PolarHBondContact O-N 3.18Å; R433-D437 PolarHBondContact O-N 3.36Å
434	L	85.7	Confident	85.5	Confident	105 Å²	105	104.6 Å²	104.6	55%	0.55	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-32.5	175.7	-161.9	78.6	0	0	0	112.2	S430 V432 I438	S430-L434 WeakPolarHBondContact O-CB 3.35Å; S430-L434 PolarHBondContact O-N 2.83Å; V432-L434 VanDerWaalsContact C-N 3.31Å; V432-L434 PolarHBondContact O-N 2.81Å; L434-I438 HydrophobicContact CG-CD1 4.28Å; L434-I438 WeakPolarHBondContact O-CB 3.43Å; L434-I438 WeakPolarHBondContact O-CD1 3.46Å; L434-I438 WeakPolarHBondContact O-CG1 3.29Å; L434-I438 PolarHBondContact O-N 2.84Å
435	Q	83.5	Confident	85.4	Confident	129 Å²	129	104.6 Å²	104.6	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-76.3	-32.3	176	-165.9	166.9	-64.5	0	0	112.2	R431 V432 R433 T439	R431-Q435 WeakPolarHBondContact O-CB 3.49Å; R431-Q435 PolarHBondContact O-N 3.4Å; R431-Q435 VanDerWaalsContact O-N 3.11Å; V432-Q435 CarbonylContact O-C 3.55Å; V432-Q435 WeakPolarHBondContact O-CA 3.45Å; V432-Q435 WeakPolarHBondContact O-CB 3.37Å; V432-Q435 PolarHBondContact O-N 2.98Å; R433-Q435 VanDerWaalsContact C-N 3.27Å; R433-Q435 PolarHBondContact O-N 3.5Å; Q435-T439 WeakPolarHBondContact O-CG2 3.3Å; Q435-T439 PolarHBondContact O-N 2.82Å; Q435-T439 PolarHBondContact O-OG1 2.93Å
436	E	88.2	Confident	85.3	Confident	114 Å²	114	102.1 Å²	102.1	53%	0.533	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-47.7	167.9	-67	173.7	150.7	0	0	110.8	V432 R433 I438 T439 A440	V432-E436 WeakPolarHBondContact O-CG 3.5Å; V432-E436 PolarHBondContact O-N 3.25Å; R433-E436 WeakPolarHBondContact O-CB 3.4Å; R433-E436 PolarHBondContact O-N 3.18Å; E436-I438 PolarHBondContact O-N 3.27Å; E436-T439 WeakPolarHBondContact CA-OG1 3.33Å; E436-T439 PolarHBondContact O-N 3.39Å; E436-T439 PolarHBondContact O-OG1 3.28Å; E436-A440 WeakPolarHBondContact O-CB 3.46Å; E436-A440 PolarHBondContact O-N 3.29Å
437	D	86.9	Confident	85.3	Confident	104 Å²	104	103.9 Å²	103.9	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-58.8	-43.5	174	-82.4	-25.7	0	0	0	112.3	R433 T439 A440 M441	R433-D437 PolarHBondContact O-N 3.36Å; D437-T439 VanDerWaalsContact C-N 3.35Å; D437-T439 PolarHBondContact O-N 3.14Å; D437-A440 PolarHBondContact O-N 2.56Å; D437-M441 WeakPolarHBondContact O-CB 3.43Å; D437-M441 VanDerWaalsContact O-CG 3.29Å; D437-M441 WeakPolarHBondContact O-CG 3.48Å; D437-M441 PolarHBondContact O-N 3.48Å
438	I	84.3	Confident	85.6	Confident	105 Å²	105	102.5 Å²	102.5	54%	0.538	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-38.9	177	-74.8	164.9	0	0	0	111.3	L434 E436 R442	L434-I438 HydrophobicContact CG-CD1 4.28Å; L434-I438 WeakPolarHBondContact O-CB 3.43Å; L434-I438 WeakPolarHBondContact O-CD1 3.46Å; L434-I438 WeakPolarHBondContact O-CG1 3.29Å; L434-I438 PolarHBondContact O-N 2.84Å; E436-I438 PolarHBondContact O-N 3.27Å; I438-R442 WeakPolarHBondContact O-CB 3.3Å; I438-R442 PolarHBondContact O-N 2.95Å
439	T	87.3	Confident	85.6	Confident	69 Å²	69	103.9 Å²	103.9	42%	0.423	52%	0.516	S	S	.	.	H	α-helix	trans	-75.5	-36.7	177.8	50.2	0	0	0	0	112.3	Q435 E436 D437 R442 N443	Q435-T439 WeakPolarHBondContact O-CG2 3.3Å; Q435-T439 PolarHBondContact O-N 2.82Å; Q435-T439 PolarHBondContact O-OG1 2.93Å; E436-T439 WeakPolarHBondContact CA-OG1 3.33Å; E436-T439 PolarHBondContact O-N 3.39Å; E436-T439 PolarHBondContact O-OG1 3.28Å; D437-T439 VanDerWaalsContact C-N 3.35Å; D437-T439 PolarHBondContact O-N 3.14Å; T439-R442 PolarHBondContact O-N 3.34Å; T439-N443 WeakPolarHBondContact O-CB 3.38Å; T439-N443 PolarHBondContact O-N 3.21Å; T439-N443 PolarHBondContact O-ND2 2.91Å; T439-N443 PolarHBondContact O-OD1 3.47Å
440	A	89.1	Confident	85.5	Confident	58 Å²	58	102.1 Å²	102.1	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-63.2	-44.6	171	0	0	0	0	0	112	E436 D437 N443 S444	E436-A440 WeakPolarHBondContact O-CB 3.46Å; E436-A440 PolarHBondContact O-N 3.29Å; D437-A440 PolarHBondContact O-N 2.56Å; A440-N443 PolarHBondContact O-N 2.87Å; A440-S444 WeakPolarHBondContact O-CB 3.27Å; A440-S444 PolarHBondContact O-N 3.31Å
441	M	83.6	Confident	85.5	Confident	110 Å²	110	101.6 Å²	101.6	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-59.2	-48.1	172.3	-83.3	-84.2	-86.3	0	0	111.4	D437 N443 S444 Y445	D437-M441 WeakPolarHBondContact O-CB 3.43Å; D437-M441 VanDerWaalsContact O-CG 3.29Å; D437-M441 WeakPolarHBondContact O-CG 3.48Å; D437-M441 PolarHBondContact O-N 3.48Å; M441-N443 PolarHBondContact O-N 3.45Å; M441-S444 WeakPolarHBondContact O-CB 3.41Å; M441-S444 PolarHBondContact O-N 2.93Å; M441-Y445 HydrophobicContact CE-CE2 4.09Å; M441-Y445 WeakPolarHBondContact O-CD2 3.41Å; M441-Y445 PolarHBondContact O-N 3.43Å; M441-Y445 HydrophobicContact SD-CE2 4.32Å
442	R	83.9	Confident	85.5	Confident	162 Å²	162	99.2 Å²	99.2	61%	0.611	51%	0.509	S	S	*	.	H	α-helix	trans	-57	-49.9	175.5	177.3	180	170.7	-179.2	-1.3	111.3	I438 T439 S444 Y445 D446	I438-R442 WeakPolarHBondContact O-CB 3.3Å; I438-R442 PolarHBondContact O-N 2.95Å; T439-R442 PolarHBondContact O-N 3.34Å; R442-S444 VanDerWaalsContact C-N 3.27Å; R442-S444 PolarHBondContact O-N 2.68Å; R442-Y445 CarbonylContact O-C 3.48Å; R442-Y445 WeakPolarHBondContact O-CA 3.26Å; R442-Y445 PolarHBondContact O-N 3.35Å; R442-D446 WeakPolarHBondContact CG-OD2 3.47Å; R442-D446 IonicContact NE-OD2 3.46Å; R442-D446 PolarHBondContact NE-OD2 3.17Å; R442-D446 VanDerWaalsContact NE-OD2 3.17Å; R442-D446 IonicContact NH2-OD2 3.88Å; R442-D446 PolarHBondContact O-N 3.36Å
443	N	86.7	Confident	85.1	Confident	97 Å²	97	100.8 Å²	100.8	52%	0.519	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-38.6	179	-67.1	-14.1	0	0	0	111.3	T439 A440 M441 Y445 D446 V447	T439-N443 WeakPolarHBondContact O-CB 3.38Å; T439-N443 PolarHBondContact O-N 3.21Å; T439-N443 PolarHBondContact O-ND2 2.91Å; T439-N443 PolarHBondContact O-OD1 3.47Å; A440-N443 PolarHBondContact O-N 2.87Å; M441-N443 PolarHBondContact O-N 3.45Å; N443-Y445 PolarHBondContact O-N 2.87Å; N443-D446 PolarHBondContact O-N 3.49Å; N443-V447 WeakPolarHBondContact O-CB 3.26Å; N443-V447 VanDerWaalsContact O-CG2 3.28Å; N443-V447 WeakPolarHBondContact O-CG2 3.33Å; N443-V447 PolarHBondContact O-N 3.16Å
444	S	85.3	Confident	85	Confident	49 Å²	49	98.4 Å²	98.4	34%	0.343	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-41.1	172.5	-166.9	0	0	0	0	112.5	A440 M441 R442 K448	A440-S444 WeakPolarHBondContact O-CB 3.27Å; A440-S444 PolarHBondContact O-N 3.31Å; M441-S444 WeakPolarHBondContact O-CB 3.41Å; M441-S444 PolarHBondContact O-N 2.93Å; R442-S444 VanDerWaalsContact C-N 3.27Å; R442-S444 PolarHBondContact O-N 2.68Å; S444-K448 WeakPolarHBondContact O-CB 3.4Å; S444-K448 VanDerWaalsContact O-CD 3.29Å; S444-K448 WeakPolarHBondContact O-CD 3.4Å; S444-K448 WeakPolarHBondContact O-CG 3.25Å; S444-K448 PolarHBondContact O-N 3.41Å; S444-K448 PolarHBondContact OG-NZ 2.92Å
445	Y	82.5	Confident	84.9	Confident	139 Å²	139	97.4 Å²	97.4	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-70.7	-42.6	175.5	-79.9	-66.9	0	0	0	112.9	M441 R442 N443 V447 K448 L449	M441-Y445 HydrophobicContact CE-CE2 4.09Å; M441-Y445 WeakPolarHBondContact O-CD2 3.41Å; M441-Y445 PolarHBondContact O-N 3.43Å; M441-Y445 HydrophobicContact SD-CE2 4.32Å; R442-Y445 CarbonylContact O-C 3.48Å; R442-Y445 WeakPolarHBondContact O-CA 3.26Å; R442-Y445 PolarHBondContact O-N 3.35Å; N443-Y445 PolarHBondContact O-N 2.87Å; Y445-V447 VanDerWaalsContact C-N 3.34Å; Y445-V447 PolarHBondContact O-N 3.39Å; Y445-K448 PolarHBondContact O-N 2.9Å; Y445-L449 WeakPolarHBondContact O-CB 3.38Å; Y445-L449 PolarHBondContact O-N 3.15Å
446	D	84.7	Confident	84.8	Confident	69 Å²	69	95.2 Å²	95.2	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-64.7	-37.7	178.4	-73.9	-24.9	0	0	0	111	R442 N443 L449 S450	R442-D446 WeakPolarHBondContact CG-OD2 3.47Å; R442-D446 IonicContact NE-OD2 3.46Å; R442-D446 PolarHBondContact NE-OD2 3.17Å; R442-D446 VanDerWaalsContact NE-OD2 3.17Å; R442-D446 IonicContact NH2-OD2 3.88Å; R442-D446 PolarHBondContact O-N 3.36Å; N443-D446 PolarHBondContact O-N 3.49Å; D446-L449 PolarHBondContact O-N 2.83Å; D446-S450 WeakPolarHBondContact O-CB 3.49Å; D446-S450 PolarHBondContact O-N 3.18Å; D446-S450 PolarHBondContact O-OG 2.79Å
447	V	87.6	Confident	84.6	Confident	94 Å²	94	98.2 Å²	98.2	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-48.5	170.2	169	0	0	0	0	111.7	N443 Y445 L449 S450 T451	N443-V447 WeakPolarHBondContact O-CB 3.26Å; N443-V447 VanDerWaalsContact O-CG2 3.28Å; N443-V447 WeakPolarHBondContact O-CG2 3.33Å; N443-V447 PolarHBondContact O-N 3.16Å; Y445-V447 VanDerWaalsContact C-N 3.34Å; Y445-V447 PolarHBondContact O-N 3.39Å; V447-L449 VanDerWaalsContact C-N 3.31Å; V447-L449 PolarHBondContact O-N 2.94Å; V447-S450 WeakPolarHBondContact O-CB 3.33Å; V447-S450 PolarHBondContact O-N 3.5Å; V447-S450 VanDerWaalsContact O-N 3.16Å; V447-T451 PolarHBondContact O-N 3.09Å; V447-T451 PolarHBondContact O-OG1 2.9Å
448	K	86.3	Confident	84.5	Confident	103 Å²	103	98.1 Å²	98.1	45%	0.448	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-38.8	176.6	-75	161.8	-176.9	150	0	112	S444 Y445 S450 T451 L452	S444-K448 WeakPolarHBondContact O-CB 3.4Å; S444-K448 VanDerWaalsContact O-CD 3.29Å; S444-K448 WeakPolarHBondContact O-CD 3.4Å; S444-K448 WeakPolarHBondContact O-CG 3.25Å; S444-K448 PolarHBondContact O-N 3.41Å; S444-K448 PolarHBondContact OG-NZ 2.92Å; Y445-K448 PolarHBondContact O-N 2.9Å; K448-S450 VanDerWaalsContact C-N 3.33Å; K448-T451 WeakPolarHBondContact CA-OG1 3.48Å; K448-T451 PolarHBondContact O-N 3.09Å; K448-L452 WeakPolarHBondContact O-CB 3.02Å; K448-L452 VanDerWaalsContact O-CG 3.31Å; K448-L452 WeakPolarHBondContact O-CG 3.39Å; K448-L452 PolarHBondContact O-N 3.17Å
449	L	81.6	Confident	84.4	Confident	95 Å²	95	99 Å²	99	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-64.1	-41.3	176.3	-156.2	84.1	0	0	0	110.5	Y445 D446 V447 L452 Q453	Y445-L449 WeakPolarHBondContact O-CB 3.38Å; Y445-L449 PolarHBondContact O-N 3.15Å; D446-L449 PolarHBondContact O-N 2.83Å; V447-L449 VanDerWaalsContact C-N 3.31Å; V447-L449 PolarHBondContact O-N 2.94Å; L449-L452 PolarHBondContact O-N 2.68Å; L449-Q453 WeakPolarHBondContact O-CB 3.31Å; L449-Q453 WeakPolarHBondContact O-CG 3.35Å; L449-Q453 PolarHBondContact O-N 2.91Å
450	S	83.9	Confident	84.2	Confident	72 Å²	72	101.6 Å²	101.6	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-43.4	175	-57.1	0	0	0	0	111.9	D446 V447 K448 L452 Q453 E454	D446-S450 WeakPolarHBondContact O-CB 3.49Å; D446-S450 PolarHBondContact O-N 3.18Å; D446-S450 PolarHBondContact O-OG 2.79Å; V447-S450 WeakPolarHBondContact O-CB 3.33Å; V447-S450 PolarHBondContact O-N 3.5Å; V447-S450 VanDerWaalsContact O-N 3.16Å; K448-S450 VanDerWaalsContact C-N 3.33Å; S450-L452 VanDerWaalsContact C-N 3.35Å; S450-L452 PolarHBondContact O-N 2.8Å; S450-Q453 PolarHBondContact O-N 2.9Å; S450-E454 WeakPolarHBondContact O-CB 3.39Å; S450-E454 PolarHBondContact O-N 2.97Å
451	T	85.5	Confident	83.9	Confident	63 Å²	63	104.3 Å²	104.3	39%	0.387	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-38.6	175.8	-3.7	0	0	0	0	111.9	V447 K448 E454 N455	V447-T451 PolarHBondContact O-N 3.09Å; V447-T451 PolarHBondContact O-OG1 2.9Å; K448-T451 WeakPolarHBondContact CA-OG1 3.48Å; K448-T451 PolarHBondContact O-N 3.09Å; T451-E454 PolarHBondContact O-N 3.05Å; T451-N455 VanDerWaalsContact O-CB 3.31Å; T451-N455 WeakPolarHBondContact O-CB 3.5Å; T451-N455 PolarHBondContact O-N 2.52Å; T451-N455 PolarHBondContact O-ND2 3.07Å
452	L	81.2	Confident	83.8	Confident	116 Å²	116	102.9 Å²	102.9	61%	0.607	50%	0.501	S	S	*	.	H	α-helix	trans	-66.6	-38.1	174.5	-73.7	169.6	0	0	0	112.1	K448 L449 S450 L456	K448-L452 WeakPolarHBondContact O-CB 3.02Å; K448-L452 VanDerWaalsContact O-CG 3.31Å; K448-L452 WeakPolarHBondContact O-CG 3.39Å; K448-L452 PolarHBondContact O-N 3.17Å; L449-L452 PolarHBondContact O-N 2.68Å; S450-L452 VanDerWaalsContact C-N 3.35Å; S450-L452 PolarHBondContact O-N 2.8Å; L452-L456 VanDerWaalsContact O-CB 3.23Å; L452-L456 WeakPolarHBondContact O-CB 3.41Å; L452-L456 PolarHBondContact O-N 3.28Å
453	Q	81.3	Confident	83.6	Confident	116 Å²	116	98.5 Å²	98.5	54%	0.542	49%	0.488	S	S	.	.	H	α-helix	trans	-67.1	-39.3	173.8	-75.3	-178.2	17.3	0	0	112.4	L449 S450 L456 R457	L449-Q453 WeakPolarHBondContact O-CB 3.31Å; L449-Q453 WeakPolarHBondContact O-CG 3.35Å; L449-Q453 PolarHBondContact O-N 2.91Å; S450-Q453 PolarHBondContact O-N 2.9Å; Q453-L456 PolarHBondContact O-N 3.39Å; Q453-R457 WeakPolarHBondContact O-CG 3.39Å; Q453-R457 PolarHBondContact O-N 2.86Å
454	E	86.6	Confident	83.3	Confident	97 Å²	97	96.6 Å²	96.6	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-68.2	-43.4	176.2	-164.2	-169.6	155.4	0	0	111.5	S450 T451 L456 R457 K458	S450-E454 WeakPolarHBondContact O-CB 3.39Å; S450-E454 PolarHBondContact O-N 2.97Å; T451-E454 PolarHBondContact O-N 3.05Å; E454-L456 VanDerWaalsContact C-N 3.34Å; E454-L456 PolarHBondContact O-N 3.27Å; E454-R457 WeakPolarHBondContact O-CB 3.22Å; E454-R457 PolarHBondContact O-N 3.02Å; E454-R457 VanDerWaalsContact O-N 3.15Å; E454-K458 WeakPolarHBondContact O-CG 3.47Å; E454-K458 PolarHBondContact O-N 2.95Å; E454-K458 WeakPolarHBondContact OE1-CE 3.41Å; E454-K458 IonicContact OE1-NZ 3.68Å; E454-K458 PolarHBondContact OE1-NZ 3.45Å
455	N	84.1	Confident	83.2	Confident	84 Å²	84	99.7 Å²	99.7	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-41.3	173.9	-72	-16.7	0	0	0	111.4	T451 R457 K458 E459	T451-N455 VanDerWaalsContact O-CB 3.31Å; T451-N455 WeakPolarHBondContact O-CB 3.5Å; T451-N455 PolarHBondContact O-N 2.52Å; T451-N455 PolarHBondContact O-ND2 3.07Å; N455-R457 VanDerWaalsContact C-N 3.29Å; N455-R457 PolarHBondContact O-N 3.27Å; N455-K458 PolarHBondContact O-N 3.49Å; N455-E459 VanDerWaalsContact O-CB 3.28Å; N455-E459 WeakPolarHBondContact O-CB 3.49Å; N455-E459 PolarHBondContact O-N 3.24Å
456	L	81.2	Confident	83	Confident	84 Å²	84	98 Å²	98	44%	0.44	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-25.8	175.1	-167.9	72.9	0	0	0	112.9	L452 Q453 E454 K460	L452-L456 VanDerWaalsContact O-CB 3.23Å; L452-L456 WeakPolarHBondContact O-CB 3.41Å; L452-L456 PolarHBondContact O-N 3.28Å; Q453-L456 PolarHBondContact O-N 3.39Å; E454-L456 VanDerWaalsContact C-N 3.34Å; E454-L456 PolarHBondContact O-N 3.27Å; L456-K460 WeakPolarHBondContact O-CB 3.4Å; L456-K460 WeakPolarHBondContact O-CD 3.2Å; L456-K460 VanDerWaalsContact O-CG 3.23Å; L456-K460 WeakPolarHBondContact O-CG 3.33Å; L456-K460 PolarHBondContact O-N 3.29Å
457	R	83	Confident	82.7	Confident	177 Å²	177	99.4 Å²	99.4	67%	0.668	50%	0.5	S	S	*	.	H	α-helix	trans	-70.3	-52	168.4	-77.4	-175.9	179.9	-167.3	1.8	110.9	Q453 E454 N455 E459 K460 E461	Q453-R457 WeakPolarHBondContact O-CG 3.39Å; Q453-R457 PolarHBondContact O-N 2.86Å; E454-R457 WeakPolarHBondContact O-CB 3.22Å; E454-R457 PolarHBondContact O-N 3.02Å; E454-R457 VanDerWaalsContact O-N 3.15Å; N455-R457 VanDerWaalsContact C-N 3.29Å; N455-R457 PolarHBondContact O-N 3.27Å; R457-E459 VanDerWaalsContact C-N 3.31Å; R457-E459 PolarHBondContact O-N 3.08Å; R457-K460 CarbonylContact O-C 3.53Å; R457-K460 PolarHBondContact O-N 3.07Å; R457-K460 VanDerWaalsContact O-N 3.15Å; R457-E461 WeakPolarHBondContact O-CG 3.39Å; R457-E461 PolarHBondContact O-N 3.24Å
458	K	85.9	Confident	82.3	Confident	101 Å²	101	97.8 Å²	97.8	44%	0.439	50%	0.496	S	S	.	.	H	α-helix	trans	-58.6	-41.8	178.4	-69.7	171.4	-175.6	167.4	0	112	E454 N455 E461 T462	E454-K458 WeakPolarHBondContact O-CG 3.47Å; E454-K458 PolarHBondContact O-N 2.95Å; E454-K458 WeakPolarHBondContact OE1-CE 3.41Å; E454-K458 IonicContact OE1-NZ 3.68Å; E454-K458 PolarHBondContact OE1-NZ 3.45Å; N455-K458 PolarHBondContact O-N 3.49Å; K458-E461 PolarHBondContact O-N 3.28Å; K458-T462 WeakPolarHBondContact O-CG2 3.29Å; K458-T462 PolarHBondContact O-N 3.39Å; K458-T462 PolarHBondContact O-OG1 2.77Å
459	E	82	Confident	81.9	Confident	123 Å²	123	97.4 Å²	97.4	58%	0.575	50%	0.496	S	S	*	.	H	α-helix	trans	-60.5	-48.8	175.4	-170.5	171.1	-141.8	0	0	110.8	N455 R457 E461 T462 E463	N455-E459 VanDerWaalsContact O-CB 3.28Å; N455-E459 WeakPolarHBondContact O-CB 3.49Å; N455-E459 PolarHBondContact O-N 3.24Å; R457-E459 VanDerWaalsContact C-N 3.31Å; R457-E459 PolarHBondContact O-N 3.08Å; E459-E461 VanDerWaalsContact C-N 3.34Å; E459-E461 PolarHBondContact O-N 3.01Å; E459-T462 PolarHBondContact O-N 2.95Å; E459-T462 PolarHBondContact O-OG1 2.89Å; E459-E463 WeakPolarHBondContact O-CB 3.42Å; E459-E463 PolarHBondContact O-N 2.99Å
460	K	82.2	Confident	81.7	Confident	124 Å²	124	96.9 Å²	96.9	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-35.6	174.2	-75.2	172.2	-178.5	176	0	113.8	L456 R457 E463 A464	L456-K460 WeakPolarHBondContact O-CB 3.4Å; L456-K460 WeakPolarHBondContact O-CD 3.2Å; L456-K460 VanDerWaalsContact O-CG 3.23Å; L456-K460 WeakPolarHBondContact O-CG 3.33Å; L456-K460 PolarHBondContact O-N 3.29Å; R457-K460 CarbonylContact O-C 3.53Å; R457-K460 PolarHBondContact O-N 3.07Å; R457-K460 VanDerWaalsContact O-N 3.15Å; K460-E463 PolarHBondContact O-N 3Å; K460-A464 VanDerWaalsContact O-CB 3.3Å; K460-A464 WeakPolarHBondContact O-CB 3.45Å; K460-A464 PolarHBondContact O-N 2.93Å
461	E	83	Confident	81.3	Confident	116 Å²	116	98.9 Å²	98.9	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-45	174.5	-73.8	163.5	-168.3	0	0	110.7	R457 K458 E459 A464 I465	R457-E461 WeakPolarHBondContact O-CG 3.39Å; R457-E461 PolarHBondContact O-N 3.24Å; K458-E461 PolarHBondContact O-N 3.28Å; E459-E461 VanDerWaalsContact C-N 3.34Å; E459-E461 PolarHBondContact O-N 3.01Å; E461-A464 PolarHBondContact O-N 3.33Å; E461-I465 VanDerWaalsContact O-CG1 3.3Å; E461-I465 WeakPolarHBondContact O-CG1 3.45Å; E461-I465 PolarHBondContact O-N 3.16Å
462	T	81.4	Confident	80.7	Confident	79 Å²	79	99.5 Å²	99.5	49%	0.485	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-36.1	173.9	58.8	0	0	0	0	113	K458 E459 I465 L466	K458-T462 WeakPolarHBondContact O-CG2 3.29Å; K458-T462 PolarHBondContact O-N 3.39Å; K458-T462 PolarHBondContact O-OG1 2.77Å; E459-T462 PolarHBondContact O-N 2.95Å; E459-T462 PolarHBondContact O-OG1 2.89Å; T462-I465 PolarHBondContact O-N 2.96Å; T462-L466 WeakPolarHBondContact O-CB 3.5Å; T462-L466 WeakPolarHBondContact O-CG 3.48Å; T462-L466 PolarHBondContact O-N 2.81Å
463	E	80.1	Confident	80.4	Confident	71 Å²	71	99.5 Å²	99.5	33%	0.332	50%	0.502	S	S	.	.	H	α-helix	trans	-65.3	-39.4	174.3	-165.1	-156.8	117.2	0	0	111.2	E459 K460 K467 I645	E459-E463 WeakPolarHBondContact O-CB 3.42Å; E459-E463 PolarHBondContact O-N 2.99Å; K460-E463 PolarHBondContact O-N 3Å; E463-K467 HydrophobicContact CG-CD 4.46Å; E463-K467 WeakPolarHBondContact O-CB 3.31Å; E463-K467 VanDerWaalsContact O-CG 3.32Å; E463-K467 WeakPolarHBondContact O-CG 3.31Å; E463-K467 PolarHBondContact O-N 2.89Å; E463-K467 VanDerWaalsContact OE1-CE 3.27Å; E463-K467 WeakPolarHBondContact OE1-CE 3.46Å; E463-K467 IonicContact OE1-NZ 3.43Å; E463-K467 PolarHBondContact OE1-NZ 3.07Å; E463-I645 VanDerWaalsContact CD-CD1 3.41Å; E463-I645 HydrophobicContact CG-CD1 3.83Å; E463-I645 WeakPolarHBondContact OE1-CD1 3.47Å
464	A	79.6	Confident	79.9	Confident	56 Å²	56	97.3 Å²	97.3	46%	0.463	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-41.5	174.5	0	0	0	0	0	112.1	K460 E461 K467 A468	K460-A464 VanDerWaalsContact O-CB 3.3Å; K460-A464 WeakPolarHBondContact O-CB 3.45Å; K460-A464 PolarHBondContact O-N 2.93Å; E461-A464 PolarHBondContact O-N 3.33Å; A464-K467 PolarHBondContact O-N 2.9Å; A464-A468 WeakPolarHBondContact O-CB 3.41Å; A464-A468 PolarHBondContact O-N 2.95Å
465	I	82.7	Confident	79.1	Confident	115 Å²	115	98.7 Å²	98.7	59%	0.59	50%	0.503	S	S	*	.	H	α-helix	trans	-62.9	-46.9	174.6	-68.5	163.7	0	0	0	110.6	E461 T462 K467 A468 E469	E461-I465 VanDerWaalsContact O-CG1 3.3Å; E461-I465 WeakPolarHBondContact O-CG1 3.45Å; E461-I465 PolarHBondContact O-N 3.16Å; T462-I465 PolarHBondContact O-N 2.96Å; I465-K467 PolarHBondContact O-N 2.94Å; I465-A468 PolarHBondContact O-N 3.1Å; I465-E469 PolarHBondContact O-N 2.9Å
466	L	79.1	Confident	78.5	Confident	104 Å²	104	99.4 Å²	99.4	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.4	-80	165.6	0	0	0	112.1	T462 A468 E469 V470	T462-L466 WeakPolarHBondContact O-CB 3.5Å; T462-L466 WeakPolarHBondContact O-CG 3.48Å; T462-L466 PolarHBondContact O-N 2.81Å; L466-A468 VanDerWaalsContact C-N 3.35Å; L466-A468 PolarHBondContact O-N 2.96Å; L466-E469 PolarHBondContact O-N 3.48Å; L466-V470 WeakPolarHBondContact O-CB 3.2Å; L466-V470 VanDerWaalsContact O-CG2 3.29Å; L466-V470 WeakPolarHBondContact O-CG2 3.31Å; L466-V470 PolarHBondContact O-N 2.97Å
467	K	79.3	Confident	77.6	Confident	98 Å²	98	100.8 Å²	100.8	43%	0.426	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-40.6	173.7	-81.2	172.2	168.8	173.4	0	112.2	E463 A464 I465 L471	E463-K467 HydrophobicContact CG-CD 4.46Å; E463-K467 WeakPolarHBondContact O-CB 3.31Å; E463-K467 VanDerWaalsContact O-CG 3.32Å; E463-K467 WeakPolarHBondContact O-CG 3.31Å; E463-K467 PolarHBondContact O-N 2.89Å; E463-K467 VanDerWaalsContact OE1-CE 3.27Å; E463-K467 WeakPolarHBondContact OE1-CE 3.46Å; E463-K467 IonicContact OE1-NZ 3.43Å; E463-K467 PolarHBondContact OE1-NZ 3.07Å; A464-K467 PolarHBondContact O-N 2.9Å; I465-K467 PolarHBondContact O-N 2.94Å; K467-L471 WeakPolarHBondContact O-CB 3.34Å; K467-L471 WeakPolarHBondContact O-CG 3.05Å; K467-L471 PolarHBondContact O-N 2.96Å
468	A	78.9	Confident	76.6	Confident	59 Å²	59	95.4 Å²	95.4	49%	0.488	51%	0.505	S	S	.	.	H	α-helix	trans	-66.2	-41.5	175.8	0	0	0	0	0	112.2	A464 I465 L466 L471 C472	A464-A468 WeakPolarHBondContact O-CB 3.41Å; A464-A468 PolarHBondContact O-N 2.95Å; I465-A468 PolarHBondContact O-N 3.1Å; L466-A468 VanDerWaalsContact C-N 3.35Å; L466-A468 PolarHBondContact O-N 2.96Å; A468-L471 PolarHBondContact O-N 2.76Å; A468-C472 WeakPolarHBondContact O-CB 3.4Å; A468-C472 PolarHBondContact O-N 3.34Å
469	E	78	Confident	75.5	Confident	95 Å²	95	100.3 Å²	100.3	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-67.2	-39.9	177.1	-159	-164.5	154.6	0	0	111.9	I465 L466 C472 K473	I465-E469 PolarHBondContact O-N 2.9Å; L466-E469 PolarHBondContact O-N 3.48Å; E469-C472 PolarHBondContact O-N 3.43Å; E469-K473 WeakPolarHBondContact O-CG 3.28Å; E469-K473 PolarHBondContact O-N 3.09Å; E469-K473 VanDerWaalsContact OE1-CE 3.27Å; E469-K473 WeakPolarHBondContact OE1-CE 3.34Å; E469-K473 IonicContact OE1-NZ 2.7Å; E469-K473 PolarHBondContact OE1-NZ 3.5Å
470	V	77.1	Confident	74.4	Confident	85 Å²	85	97.4 Å²	97.4	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-65.2	-43.3	174.4	170	0	0	0	0	111.3	L466 K473 T474	L466-V470 WeakPolarHBondContact O-CB 3.2Å; L466-V470 VanDerWaalsContact O-CG2 3.29Å; L466-V470 WeakPolarHBondContact O-CG2 3.31Å; L466-V470 PolarHBondContact O-N 2.97Å; V470-K473 PolarHBondContact O-N 2.87Å; V470-T474 PolarHBondContact O-N 3.43Å; V470-T474 PolarHBondContact O-OG1 3.47Å
471	L	74.4	Confident	73	Confident	113 Å²	113	98.6 Å²	98.6	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-60.6	-43.5	174.5	-82.3	165.9	0	0	0	112.1	K467 A468 K473 T474 E475	K467-L471 WeakPolarHBondContact O-CB 3.34Å; K467-L471 WeakPolarHBondContact O-CG 3.05Å; K467-L471 PolarHBondContact O-N 2.96Å; A468-L471 PolarHBondContact O-N 2.76Å; L471-K473 VanDerWaalsContact C-N 3.29Å; L471-K473 PolarHBondContact O-N 3.29Å; L471-T474 WeakPolarHBondContact CA-OG1 3.5Å; L471-T474 PolarHBondContact O-N 2.92Å; L471-T474 PolarHBondContact O-OG1 3.08Å; L471-E475 PolarHBondContact O-N 2.83Å
472	C	74.5	Confident	71.5	Confident	77 Å²	77	100.8 Å²	100.8	52%	0.52	54%	0.54	S	S	.	.	H	α-helix	trans	-61.3	-39.4	175.9	-168.5	0	0	0	0	111.4	A468 E469 V476	A468-C472 WeakPolarHBondContact O-CB 3.4Å; A468-C472 PolarHBondContact O-N 3.34Å; E469-C472 PolarHBondContact O-N 3.43Å; C472-V476 WeakPolarHBondContact O-CG2 3.43Å; C472-V476 PolarHBondContact O-N 3.42Å; C472-V476 VanDerWaalsContact O-N 3.12Å
473	K	74.4	Confident	70.2	Confident	115 Å²	115	101.1 Å²	101.1	50%	0.5	55%	0.551	S	S	.	*	H	α-helix	trans	-67.8	-39.8	174.9	-74.5	166.8	175	170.1	0	112.8	E469 V470 L471 V476 M477	E469-K473 WeakPolarHBondContact O-CG 3.28Å; E469-K473 PolarHBondContact O-N 3.09Å; E469-K473 VanDerWaalsContact OE1-CE 3.27Å; E469-K473 WeakPolarHBondContact OE1-CE 3.34Å; E469-K473 IonicContact OE1-NZ 2.7Å; E469-K473 PolarHBondContact OE1-NZ 3.5Å; V470-K473 PolarHBondContact O-N 2.87Å; L471-K473 VanDerWaalsContact C-N 3.29Å; L471-K473 PolarHBondContact O-N 3.29Å; K473-V476 PolarHBondContact O-N 3.1Å; K473-M477 WeakPolarHBondContact O-CG 3.32Å; K473-M477 PolarHBondContact O-N 2.91Å
474	T	70.6	Confident	68.5	Low	71 Å²	71	102.7 Å²	102.7	44%	0.436	57%	0.57	S	S	.	*	H	α-helix	trans	-74.3	-29	176.8	48.8	0	0	0	0	113.4	V470 L471 S478	V470-T474 PolarHBondContact O-N 3.43Å; V470-T474 PolarHBondContact O-OG1 3.47Å; L471-T474 WeakPolarHBondContact CA-OG1 3.5Å; L471-T474 PolarHBondContact O-N 2.92Å; L471-T474 PolarHBondContact O-OG1 3.08Å; T474-S478 VanDerWaalsContact O-CB 3.3Å; T474-S478 WeakPolarHBondContact O-CB 3.46Å; T474-S478 PolarHBondContact O-N 2.87Å; T474-S478 PolarHBondContact O-OG 3.36Å
475	E	68.9	Low	66.5	Low	125 Å²	125	103.7 Å²	103.7	58%	0.584	59%	0.586	S	S	*	*	H	α-helix	trans	-64.4	-39.5	166.9	-77.3	-159.2	121	0	0	112.1	L471 S478 R479	L471-E475 PolarHBondContact O-N 2.83Å; E475-S478 PolarHBondContact O-OG 3.34Å; E475-R479 WeakPolarHBondContact O-CB 3.15Å; E475-R479 WeakPolarHBondContact O-CG 3.31Å; E475-R479 PolarHBondContact O-N 2.7Å; E475-R479 VanDerWaalsContact O-N 3.17Å
476	V	71.6	Confident	64.5	Low	99 Å²	99	104.3 Å²	104.3	60%	0.6	60%	0.597	S	S	*	*	H	α-helix	trans	-67.8	-42.1	175.4	170.6	0	0	0	0	111.6	C472 K473 A480	C472-V476 WeakPolarHBondContact O-CG2 3.43Å; C472-V476 PolarHBondContact O-N 3.42Å; C472-V476 VanDerWaalsContact O-N 3.12Å; K473-V476 PolarHBondContact O-N 3.1Å; V476-A480 PolarHBondContact O-N 3.29Å
477	M	63.1	Low	62.5	Low	114 Å²	114	107.7 Å²	107.7	56%	0.562	61%	0.61	S	S	*	*	H	α-helix	trans	-69.2	-44.9	178.2	-71.8	-179.8	66.5	0	0	112.9	K473 R479 A480 E481	K473-M477 WeakPolarHBondContact O-CG 3.32Å; K473-M477 PolarHBondContact O-N 2.91Å; M477-R479 PolarHBondContact O-N 2.81Å; M477-A480 WeakPolarHBondContact O-CA 3.42Å; M477-A480 WeakPolarHBondContact O-CB 3.46Å; M477-A480 PolarHBondContact O-N 2.91Å; M477-E481 PolarHBondContact O-N 2.93Å
478	S	62.6	Low	60.6	Low	63 Å²	63	113.1 Å²	113.1	44%	0.441	63%	0.63	S	S	.	*	H	α-helix	trans	-66.3	-26	177.8	56.2	0	0	0	0	113.1	T474 E475 A480	T474-S478 VanDerWaalsContact O-CB 3.3Å; T474-S478 WeakPolarHBondContact O-CB 3.46Å; T474-S478 PolarHBondContact O-N 2.87Å; T474-S478 PolarHBondContact O-OG 3.36Å; E475-S478 PolarHBondContact O-OG 3.34Å; S478-A480 VanDerWaalsContact C-N 3.34Å
479	R	61.4	Low	58.5	Low	204 Å²	204	115.3 Å²	115.3	77%	0.77	64%	0.641	S	S	*	*	H	α-helix	trans	-73.1	-21.5	167.1	-78.7	-178.3	170.7	-173.9	0.4	114.1	E475 M477	E475-R479 WeakPolarHBondContact O-CB 3.15Å; E475-R479 WeakPolarHBondContact O-CG 3.31Å; E475-R479 PolarHBondContact O-N 2.7Å; E475-R479 VanDerWaalsContact O-N 3.17Å; M477-R479 PolarHBondContact O-N 2.81Å
480	A	58.6	Low	56.8	Low	62 Å²	62	116.2 Å²	116.2	51%	0.512	66%	0.655	S	S	.	*	H	α-helix	trans	-85.9	-39.6	177.3	0	0	0	0	0	112.7	V476 M477 S478 L482 A483	V476-A480 PolarHBondContact O-N 3.29Å; M477-A480 WeakPolarHBondContact O-CA 3.42Å; M477-A480 WeakPolarHBondContact O-CB 3.46Å; M477-A480 PolarHBondContact O-N 2.91Å; S478-A480 VanDerWaalsContact C-N 3.34Å; A480-L482 VanDerWaalsContact C-N 3.27Å; A480-L482 PolarHBondContact O-N 3.35Å; A480-A483 WeakPolarHBondContact O-CB 3.37Å; A480-A483 PolarHBondContact O-N 2.88Å
481	E	52.8	Low	55.1	Low	149 Å²	149	118.2 Å²	118.2	70%	0.696	67%	0.67	S	S	*	*	H	α-helix	trans	-71.8	-16.4	-176.1	-69.3	-175.3	128.9	0	0	114.2	M477 A483	M477-E481 PolarHBondContact O-N 2.93Å; E481-A483 PolarHBondContact O-N 3.45Å; E481-A483 VanDerWaalsContact O-N 3.1Å
482	L	52.4	Low	53.1	Low	162 Å²	162	119.7 Å²	119.7	85%	0.848	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	5.4	173.4	-77.9	167.3	0	0	0	114.5	A480	A480-L482 VanDerWaalsContact C-N 3.27Å; A480-L482 PolarHBondContact O-N 3.35Å
483	A	54.2	Low	51.1	Low	87 Å²	87	125.5 Å²	125.5	72%	0.719	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-4.3	-168.5	0	0	0	0	0	116.8	A480 E481	A480-A483 WeakPolarHBondContact O-CB 3.37Å; A480-A483 PolarHBondContact O-N 2.88Å; E481-A483 PolarHBondContact O-N 3.45Å; E481-A483 VanDerWaalsContact O-N 3.1Å
484	S	43.5	Very low	49.2	Very low	104 Å²	104	129.5 Å²	129.5	73%	0.727	71%	0.711	S	S	*	*			trans	-143.5	134.3	-175.4	55.3	0	0	0	0	114.6
485	G	39.5	Very low	47.4	Very low	76 Å²	76	135.4 Å²	135.4	78%	0.784	73%	0.733	S	S	*	*			trans	-89.5	178.1	-176.1	0	0	0	0	0	116.4
486	P	40.7	Very low	46	Very low	129 Å²	129	135.1 Å²	135.1	84%	0.838	74%	0.74	S	S	*	*			trans	-119.1	166.4	-155.2	41.8	-32.6	0	0	0	115.9
487	E	36.9	Very low	44.4	Very low	175 Å²	175	134.2 Å²	134.2	82%	0.818	74%	0.744	S	S	*	*			trans	-156	143.2	154.7	-98.2	-169.9	170.9	0	0	111.8
488	Y	37.7	Very low	43	Very low	211 Å²	211	135.2 Å²	135.2	83%	0.827	76%	0.756	S	S	*	*			trans	34.2	139.7	154.9	-70.1	-84.4	0	0	0	122
489	S	36.6	Very low	41.8	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	77%	0.77	S	S	*	*			cis	-159.9	-145.1	13.5	49.4	0	0	0	0	113.1
490	P	42.1	Very low	40.5	Very low	114 Å²	114	136.3 Å²	136.3	74%	0.74	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-92.9	169.2	-131	4.2	20.6	0	0	0	116.4
491	P	39.9	Very low	39.2	Very low	128 Å²	128	138.7 Å²	138.7	83%	0.831	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-86.4	150.7	-163.5	34.2	-37	0	0	0	116.1
492	L	33.8	Very low	38.4	Very low	144 Å²	144	138 Å²	138	75%	0.754	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-87.3	147.3	167.3	-79.8	165.2	0	0	0	111.9	Y494	L492-Y494 HydrophobicContact CB-CE2 4.13Å
493	Q	31.9	Very low	37.6	Very low	198 Å²	198	136.8 Å²	136.8	93%	0.925	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-74.4	137.8	166	-67.8	174.5	-45.1	0	0	110.1
494	Y	35	Very low	36.7	Very low	200 Å²	200	137.5 Å²	137.5	78%	0.784	77%	0.772	S	S	*	*			trans	-123.5	123.7	169.1	-81.7	-88.5	0	0	0	109.9	L492	L492-Y494 HydrophobicContact CB-CE2 4.13Å
495	E	33.3	Very low	36.5	Very low	194 Å²	194	140.5 Å²	140.5	91%	0.907	78%	0.776	S	S	*	*			trans	-128.9	117.5	171.2	-176	175.1	-149.1	0	0	107.2
496	T	37.8	Very low	36.4	Very low	119 Å²	119	141.3 Å²	141.3	73%	0.73	77%	0.768	S	S	*	*			trans	-156.1	114.7	-178.2	-41	0	0	0	0	107.9
497	A	38.4	Very low	36.1	Very low	81 Å²	81	142.9 Å²	142.9	67%	0.669	77%	0.769	S	S	*	*			cis	85	70.3	36.9	0	0	0	0	0	115.2
498	V	35	Very low	35.8	Very low	134 Å²	134	141.8 Å²	141.8	81%	0.812	77%	0.766	S	S	*	*				48.7	131.8	123.4	177.8	0	0	0	0	119.8
499	K	36.7	Very low	35.9	Very low	171 Å²	171	137.1 Å²	137.1	74%	0.743	76%	0.761	S	S	*	*			trans	75	155.8	168.1	-79.5	175.7	176.8	-173.3	0	117.1
500	P	33.1	Very low	36	Very low	119 Å²	119	137 Å²	137	77%	0.773	76%	0.758	S	S	*	*				-121.7	150.8	111.3	35.3	-33.8	0	0	0	113.8
501	T	32.2	Very low	35.5	Very low	112 Å²	112	136.8 Å²	136.8	69%	0.687	76%	0.759	S	S	*	*			trans	-144.1	114.9	167.2	-55.6	0	0	0	0	107.9
502	I	36.5	Very low	35.2	Very low	135 Å²	135	134 Å²	134	69%	0.692	75%	0.754	S	S	*	*			trans	-154	134.1	-169.3	-68.3	-179.1	0	0	0	106.7
503	L	35	Very low	35.1	Very low	137 Å²	137	136.2 Å²	136.2	72%	0.717	76%	0.757	S	S	*	*			cis	-154.6	132.4	-17	-134.1	77.1	0	0	0	104.1
504	S	36	Very low	35.2	Very low	102 Å²	102	132.8 Å²	132.8	71%	0.713	75%	0.75	S	S	*	*				46.4	126.7	94.5	-45.6	0	0	0	0	117.6
505	M	38.2	Very low	35	Very low	166 Å²	166	128.3 Å²	128.3	82%	0.818	74%	0.743	S	S	*	*			trans	176.2	157.7	134	-83.9	-41.7	-98.5	0	0	108.3
506	P	37.8	Very low	35	Very low	93 Å²	93	128.3 Å²	128.3	60%	0.604	74%	0.74	S	S	*	*				-138.2	167	-51.5	39.7	-22.9	0	0	0	116
507	D	33.9	Very low	34.7	Very low	163 Å²	163	127.8 Å²	127.8	87%	0.872	74%	0.742	S	S	*	*			trans	70.1	166.2	144.7	-67.4	-31	0	0	0	125.5
508	M	32.1	Very low	34.5	Very low	152 Å²	152	133.2 Å²	133.2	75%	0.749	75%	0.753	S	S	*	*			trans	-115.5	-179.9	-165.9	-138.2	-175.6	59.7	0	0	109.1	P510	M508-P510 HydrophobicContact CE-CB 4.21Å; M508-P510 HydrophobicContact CE-CG 4.18Å
509	P	39	Very low	34.4	Very low	113 Å²	113	131.2 Å²	131.2	73%	0.734	75%	0.751	S	S	*	*				-152.4	-148.5	60	51.2	-27.7	0	0	0	112.8
510	P	38.6	Very low	34.3	Very low	101 Å²	101	128.8 Å²	128.8	66%	0.656	75%	0.753	S	S	*	*			trans	-140.5	-180	-130.6	36.9	-10.8	0	0	0	119.7	M508	M508-P510 HydrophobicContact CE-CB 4.21Å; M508-P510 HydrophobicContact CE-CG 4.18Å
511	S	32.2	Very low	34.4	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	76%	0.76	S	S	*	*			trans	65.5	109.3	141.9	172.8	0	0	0	0	122.2
512	G	33.5	Very low	34.3	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	76%	0.764	S	S	*	*			trans	178	96	147.9	0	0	0	0	0	113.2
513	K	31.1	Very low	34.1	Very low	190 Å²	190	133.4 Å²	133.4	83%	0.826	77%	0.771	S	S	*	*				75.6	141.3	74.1	-94.7	-173.8	177	175.5	0	116.1
514	V	33.3	Very low	34.1	Very low	126 Å²	126	135 Å²	135	76%	0.764	78%	0.775	S	S	*	*			trans	77.3	133.8	157.9	169	0	0	0	0	116.6
515	T	31.8	Very low	33.9	Very low	106 Å²	106	137.5 Å²	137.5	65%	0.65	78%	0.775	S	S	*	*			cis	-164.4	152.7	-18	29.1	0	0	0	0	113.7
516	K	32.6	Very low	33.8	Very low	194 Å²	194	134.9 Å²	134.9	84%	0.843	77%	0.771	S	S	*	*			trans	46.9	124.5	138.3	-61.3	172.5	177.6	-178.6	0	123.3
517	S	32.8	Very low	33.5	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	78%	0.778	S	S	*	*				-168.9	128.6	112.8	51.6	0	0	0	0	108.7
518	Q	32.9	Very low	33.5	Very low	194 Å²	194	134.2 Å²	134.2	91%	0.907	78%	0.775	S	S	*	*				54.8	132.7	82.7	-82	179.6	-37.6	0	0	114.2
519	A	32.3	Very low	33.3	Very low	92 Å²	92	134.9 Å²	134.9	76%	0.76	78%	0.776	S	S	*	*			cis	-151.4	168.7	8.7	0	0	0	0	0	113.3
520	P	34.6	Very low	33	Very low	121 Å²	121	136.4 Å²	136.4	79%	0.786	78%	0.783	S	S	*	*			trans	-106.2	167.6	179.5	40.3	-33.6	0	0	0	114.6
521	L	35.4	Very low	32.6	Very low	179 Å²	179	136.2 Å²	136.2	94%	0.937	79%	0.785	S	S	*	*			trans	-140.4	159	161.8	-80.3	177.5	0	0	0	110.8
522	A	30	Very low	32.7	Very low	92 Å²	92	143 Å²	143	76%	0.76	79%	0.793	S	S	*	*			trans	-148.7	160.6	-173	0	0	0	0	0	112.9
523	F	33.4	Very low	32.7	Very low	191 Å²	191	144.9 Å²	144.9	84%	0.838	80%	0.796	S	S	*	*			trans	-156.7	124.8	164.3	-103.6	-88.2	0	0	0	104.2
524	E	34	Very low	32.6	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	80%	0.796	S	S	*	*				55.1	132.8	58.4	-71.7	-170.6	-175.6	0	0	113.1
525	E	32.8	Very low	32.5	Very low	155 Å²	155	147.8 Å²	147.8	72%	0.724	80%	0.801	S	S	*	*			cis	-170.6	-159.9	-17.1	-129.9	-152.2	-168.1	0	0	105.2
526	P	36.8	Very low	32.3	Very low	111 Å²	111	147.4 Å²	147.4	72%	0.721	80%	0.803	S	S	*	*			cis	-128.1	-171.2	-8.4	39.1	-19.7	0	0	0	114.8
527	H	30.4	Very low	32.2	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.755	80%	0.803	S	S	*	*			trans	-86.5	171.7	-179.6	-76.4	-108.2	0	0	0	115.9
528	G	33.7	Very low	32	Very low	79 Å²	79	150 Å²	150	81%	0.814	80%	0.803	S	S	*	*			trans	-158.3	114.5	157	0	0	0	0	0	112.8
529	E	27.3	Very low	31.9	Very low	166 Å²	166	145.1 Å²	145.1	78%	0.776	79%	0.791	S	S	*	*			trans	-120	145.5	-179.8	-66.5	-171.4	143.8	0	0	112.7
530	T	32.8	Very low	32	Very low	144 Å²	144	148 Å²	148	88%	0.883	79%	0.793	S	S	*	*			trans	-174.2	124.7	149.3	15.8	0	0	0	0	107.2
531	S	31.8	Very low	31.8	Very low	98 Å²	98	150.9 Å²	150.9	69%	0.685	80%	0.796	S	S	*	*			cis	97.3	105.5	29.3	-75.7	0	0	0	0	115.4
532	R	33.4	Very low	31.6	Very low	251 Å²	251	148.1 Å²	148.1	95%	0.947	79%	0.791	S	S	*	*			trans	73	156.6	166.5	-57.7	176.8	176	159	-0.6	115.5
533	S	33.9	Very low	31.7	Very low	111 Å²	111	148.1 Å²	148.1	78%	0.776	79%	0.785	S	S	*	*			cis	-138.9	173.4	10.7	60.4	0	0	0	0	114.1
534	E	29	Very low	31.4	Very low	176 Å²	176	145.5 Å²	145.5	82%	0.822	79%	0.785	S	S	*	*			trans	-70.2	155.6	173	-56.9	139.4	128.1	0	0	112.7
535	F	31.5	Very low	31.3	Very low	200 Å²	200	145.4 Å²	145.4	88%	0.877	79%	0.789	S	S	*	*			trans	-163.7	142	132.9	-121.4	-79.3	0	0	0	111.3
536	S	27.2	Very low	31.2	Very low	98 Å²	98	146.5 Å²	146.5	69%	0.685	79%	0.794	S	S	*	*			trans	-103.3	154.5	174.9	54.3	0	0	0	0	111.4
537	F	31.5	Very low	31.1	Very low	192 Å²	192	148.9 Å²	148.9	84%	0.842	80%	0.801	S	S	*	*			trans	-157.1	157.8	141.8	-118.8	-76.2	0	0	0	112.2
538	E	27.9	Very low	31	Very low	165 Å²	165	145.9 Å²	145.9	77%	0.771	80%	0.798	S	S	*	*			trans	-104.1	163.3	-168.7	-60.7	166.1	109.7	0	0	113.4
539	S	30.3	Very low	30.8	Very low	92 Å²	92	145.9 Å²	145.9	64%	0.643	79%	0.79	S	S	*	*			trans	43	125.5	145.5	63.6	0	0	0	0	121.2
540	N	34	Very low	30.8	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	79%	0.789	S	S	*	*				-175	171.8	100.4	-94.5	-33.5	0	0	0	114.4
541	E	30.7	Very low	30.5	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	78%	0.782	S	S	*	*			trans	-90	153.7	-170.9	-51.8	168.2	110	0	0	114.2
542	C	31.3	Very low	30.5	Very low	121 Å²	121	145.7 Å²	145.7	82%	0.818	79%	0.788	S	S	*	*			trans	-175.3	103.9	149	-110.9	0	0	0	0	107.8
543	S	31.3	Very low	30.1	Very low	93 Å²	93	138 Å²	138	65%	0.65	78%	0.779	S	S	*	*				79.5	104.9	77.2	76.1	0	0	0	0	114.7
544	T	27.3	Very low	29.9	Very low	135 Å²	135	141.9 Å²	141.9	83%	0.828	78%	0.782	S	S	*	*			trans	13.7	129	141	53.6	0	0	0	0	119.6
545	L	33.5	Very low	30	Very low	170 Å²	170	139 Å²	139	89%	0.89	78%	0.779	S	S	*	*				-146.9	134.9	129.6	-115.1	168.9	0	0	0	109.8
546	E	29	Very low	29.9	Very low	178 Å²	178	132.9 Å²	132.9	83%	0.832	77%	0.772	S	S	*	*			trans	-77.3	151.5	162.5	-57.3	173.4	120	0	0	108.4
547	D	36.3	Very low	30.5	Very low	161 Å²	161	134.2 Å²	134.2	86%	0.861	78%	0.778	S	S	*	*			trans	-153.5	166.4	135.4	-135.6	-33.4	0	0	0	111.5
548	S	26.6	Very low	30.4	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	78%	0.779	S	S	*	*			trans	-130.2	170.5	-154.8	67.5	0	0	0	0	115.2
549	A	30.1	Very low	30.6	Very low	78 Å²	78	132.5 Å²	132.5	65%	0.645	77%	0.773	S	S	*	*			trans	86.1	134.9	149.5	0	0	0	0	0	121.1
550	T	27.4	Very low	30.7	Very low	123 Å²	123	137.4 Å²	137.4	76%	0.755	78%	0.783	S	S	*	*			trans	70	102.4	138.7	47.3	0	0	0	0	121.9
551	S	27.7	Very low	30.5	Very low	103 Å²	103	134 Å²	134	72%	0.72	77%	0.771	S	S	*	*				98.2	157.2	104.9	74.6	0	0	0	0	121.5
552	E	30.9	Very low	30.6	Very low	178 Å²	178	132.5 Å²	132.5	83%	0.832	77%	0.769	S	S	*	*			trans	79.3	140.5	168.4	-50.3	-135.1	129.8	0	0	117.8
553	A	25.6	Very low	30.6	Very low	90 Å²	90	135.4 Å²	135.4	74%	0.744	77%	0.773	S	S	*	*			trans	-124.1	143.3	-173.3	0	0	0	0	0	109.8
554	F	29.3	Very low	30.6	Very low	192 Å²	192	138.9 Å²	138.9	84%	0.842	78%	0.778	S	S	*	*			trans	-132.1	150.6	166.5	-91.7	-91.3	0	0	0	110.7
555	P	31.2	Very low	30.7	Very low	117 Å²	117	142.7 Å²	142.7	76%	0.76	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.8	168.2	-167.8	35.9	-35.2	0	0	0	113
556	G	29.9	Very low	30.5	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-79.2	166.3	171.5	0	0	0	0	0	113.4
557	P	39	Very low	30.5	Very low	127 Å²	127	139.1 Å²	139.1	83%	0.825	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-103.1	157.2	175.1	38.9	-33	0	0	0	113.7
558	E	29.7	Very low	30.1	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	77%	0.766	S	S	*	*			trans	-72.6	179.5	159.7	-56.8	160.8	142.2	0	0	108.8
559	E	30.7	Very low	30.2	Very low	138 Å²	138	135.8 Å²	135.8	65%	0.645	78%	0.775	S	S	*	*			cis	-159	163.7	11.3	-155.6	-178.6	-166	0	0	108.2
560	F	32.2	Very low	30.1	Very low	195 Å²	195	136.6 Å²	136.6	86%	0.855	78%	0.781	S	S	*	*				169.9	157.1	121.8	-89.9	-59.7	0	0	0	111.4
561	S	30.5	Very low	30.2	Very low	81 Å²	81	139.2 Å²	139.2	57%	0.566	79%	0.789	S	S	*	*			trans	-129.1	-171.3	-146.7	57.7	0	0	0	0	114.9
562	N	33.3	Very low	30.2	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	80%	0.795	S	S	*	*			trans	88	139	178.8	-46.4	-69.2	0	0	0	114.8
563	M	32	Very low	29.9	Very low	183 Å²	183	141.4 Å²	141.4	90%	0.901	80%	0.798	S	S	*	*			cis	-144.6	157.5	3.6	-155	165.8	176.7	0	0	111.7
564	E	29.3	Very low	30	Very low	165 Å²	165	141.6 Å²	141.6	77%	0.771	79%	0.794	S	S	*	*			trans	-82.9	154.2	-168.1	-55.5	171.4	99.7	0	0	115.2
565	F	31.4	Very low	29.9	Very low	216 Å²	216	143.5 Å²	143.5	95%	0.947	80%	0.795	S	S	*	*				-141.5	134.7	117.3	-137.6	-90.8	0	0	0	110
566	S	27.6	Very low	29.9	Very low	78 Å²	78	148.7 Å²	148.7	55%	0.545	80%	0.801	S	S	.	*			trans	-124.1	146.2	-165	179.7	0	0	0	0	112.5
567	M	30.6	Very low	29.9	Very low	194 Å²	194	152.1 Å²	152.1	96%	0.956	80%	0.803	S	S	*	*			trans	-145.1	112.7	141.2	-163.4	167.8	-177.6	0	0	109.3
568	A	26.1	Very low	29.6	Very low	85 Å²	85	151.1 Å²	151.1	70%	0.702	80%	0.796	S	S	*	*			trans	-96.6	169.1	-171.3	0	0	0	0	0	113.3
569	A	29.8	Very low	29.6	Very low	107 Å²	107	150.4 Å²	150.4	88%	0.884	79%	0.793	S	S	*	*			trans	-75	154.2	178.8	0	0	0	0	0	113.3
570	A	28.5	Very low	29.7	Very low	94 Å²	94	150.3 Å²	150.3	78%	0.777	79%	0.792	S	S	*	*			trans	-143.5	143	164.5	0	0	0	0	0	110.5
571	L	29	Very low	29.7	Very low	178 Å²	178	150.3 Å²	150.3	93%	0.932	79%	0.788	S	S	*	*			trans	-82.5	126.4	173.6	-67.5	157.4	0	0	0	109.4
572	T	26.9	Very low	30	Very low	136 Å²	136	153.8 Å²	153.8	83%	0.834	80%	0.799	S	S	*	*			trans	-157.1	151.4	165.3	-30.1	0	0	0	0	112.7
573	E	24.9	Very low	29.8	Very low	192 Å²	192	150.3 Å²	150.3	90%	0.897	80%	0.799	S	S	*	*			trans	-83.5	124.7	178.9	-54.3	163.1	103.8	0	0	112.1
574	S	28.2	Very low	29.8	Very low	94 Å²	94	145.4 Å²	145.4	66%	0.657	80%	0.795	S	S	*	*			trans	-167.8	115.9	154	-161.7	0	0	0	0	107.7
575	R	26.2	Very low	30	Very low	231 Å²	231	146.4 Å²	146.4	87%	0.872	80%	0.8	S	S	*	*				43.6	108.8	80.2	-57.8	-173.4	-170.6	-161.9	3.8	113.2
576	Y	33.1	Very low	30	Very low	226 Å²	226	144.5 Å²	144.5	89%	0.886	79%	0.794	S	S	*	*				-169.1	126.1	116.3	-102.3	-68.8	0	0	0	111
577	L	28.1	Very low	30.2	Very low	143 Å²	143	145.2 Å²	145.2	75%	0.749	80%	0.804	S	S	*	*			trans	-96.1	165.3	160.4	-89.8	164.4	0	0	0	108.8
578	P	33.3	Very low	30.3	Very low	106 Å²	106	140.5 Å²	140.5	69%	0.688	80%	0.796	S	S	*	*				-111.1	141.6	104.9	-12.1	30.9	0	0	0	111.3
579	E	30.5	Very low	30.7	Very low	168 Å²	168	140.6 Å²	140.6	79%	0.785	80%	0.797	S	S	*	*				65	123	61.5	-72.3	179.8	163.1	0	0	111.8
580	E	31.3	Very low	30.7	Very low	136 Å²	136	141.1 Å²	141.1	64%	0.636	80%	0.795	S	S	*	*			cis	-143.9	163.5	-3.3	-83.1	174.7	122.1	0	0	107.3
581	Y	34.3	Very low	31	Very low	195 Å²	195	142.1 Å²	142.1	77%	0.765	79%	0.793	S	S	*	*				-160.2	153	56.8	-103.3	-89.9	0	0	0	114.2
582	L	35.5	Very low	31	Very low	153 Å²	153	141 Å²	141	80%	0.801	79%	0.787	S	S	*	*			trans	-44.6	156.7	175.3	-59.4	124.8	0	0	0	117.2
583	G	30	Very low	31	Very low	76 Å²	76	143.2 Å²	143.2	78%	0.784	79%	0.788	S	S	*	*			cis	152	155.8	-7.2	0	0	0	0	0	115.1
584	G	31.6	Very low	31.3	Very low	80 Å²	80	138.9 Å²	138.9	83%	0.825	79%	0.785	S	S	*	*			trans	91.1	143.2	166.9	0	0	0	0	0	117
585	Q	33.4	Very low	31.3	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	80%	0.797	S	S	*	*			cis	-155.4	166.3	-13.2	-155.8	164.4	22	0	0	111.4
586	E	30.4	Very low	31.4	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	80%	0.8	S	S	*	*			trans	-64.8	172.8	-176.2	-57.4	155.6	106.1	0	0	113.1
587	A	32.8	Very low	31	Very low	93 Å²	93	145 Å²	145	77%	0.769	80%	0.802	S	S	*	*			cis	-169	172.9	34.3	0	0	0	0	0	116.3
588	A	32.7	Very low	31.2	Very low	95 Å²	95	144.6 Å²	144.6	79%	0.785	81%	0.806	S	S	*	*			trans	77.6	102.5	142.8	0	0	0	0	0	122.3
589	A	34.2	Very low	30.9	Very low	88 Å²	88	146.7 Å²	146.7	73%	0.727	81%	0.806	S	S	*	*				78.7	99.4	116	0	0	0	0	0	122.5
590	S	30.1	Very low	30.7	Very low	118 Å²	118	146 Å²	146	83%	0.825	80%	0.803	S	S	*	*				82	157.2	128.4	75.2	0	0	0	0	119.5
591	P	34.6	Very low	30.7	Very low	114 Å²	114	147.5 Å²	147.5	74%	0.74	82%	0.815	S	S	*	*			trans	-115.1	166.1	-156.3	41.9	-33.2	0	0	0	115.3
592	L	30.1	Very low	30.2	Very low	156 Å²	156	146.4 Å²	146.4	82%	0.817	82%	0.817	S	S	*	*				-173	165.2	123.9	-100.6	166.6	0	0	0	112.6
593	E	26	Very low	30.3	Very low	181 Å²	181	145 Å²	145	85%	0.846	82%	0.817	S	S	*	*			trans	-55.6	142.7	-169.4	-58.1	155.3	147.1	0	0	117.1
594	A	31.6	Very low	30	Very low	102 Å²	102	146 Å²	146	84%	0.843	81%	0.812	S	S	*	*			trans	-163.4	115.5	147.3	0	0	0	0	0	112
595	E	26.6	Very low	30.1	Very low	194 Å²	194	149.4 Å²	149.4	91%	0.907	81%	0.81	S	S	*	*			trans	-77.3	135.9	167.2	-60.3	-178.8	119.3	0	0	111.1
596	R	30.4	Very low	29.9	Very low	248 Å²	248	148.1 Å²	148.1	94%	0.936	80%	0.804	S	S	*	*			trans	-146	133.5	151.3	-73.8	-158	173.6	173.3	0.8	113.4
597	Y	24.3	Very low	29.8	Very low	236 Å²	236	145.4 Å²	145.4	93%	0.925	80%	0.802	S	S	*	*			trans	-65.9	150.8	163.3	-102.2	-118.6	0	0	0	112.1
598	V	30.6	Very low	29.8	Very low	136 Å²	136	149.1 Å²	149.1	82%	0.824	81%	0.808	S	S	*	*			trans	163.2	143.3	147.2	144.6	0	0	0	0	106.4
599	Q	27.4	Very low	29.5	Very low	149 Å²	149	156.2 Å²	156.2	70%	0.696	82%	0.815	S	S	*	*			cis	-176.8	157.7	-27.2	179.2	167.7	-5.4	0	0	103.8
600	E	26.5	Very low	29.4	Very low	154 Å²	154	159.5 Å²	159.5	72%	0.72	82%	0.819	S	S	*	*			trans	-35	148.9	-179.8	-57.1	137.7	137.3	0	0	117.8
601	N	30.9	Very low	29.5	Very low	168 Å²	168	161.4 Å²	161.4	90%	0.898	82%	0.819	S	S	*	*			trans	-146.6	110.5	149.6	-91.1	-78.8	0	0	0	109.9
602	E	25.5	Very low	29.2	Very low	172 Å²	172	160 Å²	160	80%	0.804	82%	0.816	S	S	*	*			trans	-108.4	133.1	171.1	178.5	-172.8	-128.8	0	0	109.2
603	P	36.7	Very low	29.1	Very low	124 Å²	124	158.1 Å²	158.1	81%	0.805	82%	0.817	S	S	*	*			trans	-88.3	117.7	169.5	33	-29	0	0	0	110.9
604	S	24.6	Very low	29.6	Very low	95 Å²	95	158.1 Å²	158.1	66%	0.664	82%	0.821	S	S	*	*			trans	-93.9	-173.3	173.3	57.6	0	0	0	0	112.2
605	L	32.5	Very low	30	Very low	152 Å²	152	161.6 Å²	161.6	80%	0.796	82%	0.82	S	S	*	*			trans	88.5	131.6	-174.9	-49.8	165.5	0	0	0	113.7
606	E	29.5	Very low	30.8	Very low	159 Å²	159	157.3 Å²	157.3	74%	0.743	80%	0.803	S	S	*	*			cis	-153.8	148	-2.6	-127.5	176.7	-153.3	0	0	110.9
607	P	28.7	Very low	31.8	Very low	120 Å²	120	150.2 Å²	150.2	78%	0.779	79%	0.789	S	S	*	*			trans	-101.5	110.8	-177.4	35.4	-29.8	0	0	0	113.9
608	L	31.6	Very low	33	Very low	171 Å²	171	146 Å²	146	90%	0.895	78%	0.776	S	S	*	*			trans	-100.8	125.7	170.4	-75.7	175	0	0	0	112.4
609	R	26.3	Very low	34.1	Very low	244 Å²	244	142 Å²	142	92%	0.921	76%	0.757	S	S	*	*			trans	-99.8	126.7	178.5	-64.6	172.2	173.9	163.3	-3.5	110.3
610	I	33.2	Very low	35.2	Very low	157 Å²	157	140.9 Å²	140.9	81%	0.805	75%	0.752	S	S	*	*			trans	-128.2	109.9	161.4	-62.2	-176.1	0	0	0	109.6
611	L	31.4	Very low	36.6	Very low	158 Å²	158	137.3 Å²	137.3	83%	0.827	74%	0.741	S	S	*	*			trans	17.1	112.6	144.3	-61.9	154.9	0	0	0	116.7
612	A	28.6	Very low	37.5	Very low	84 Å²	84	136.4 Å²	136.4	69%	0.694	73%	0.731	S	S	*	*				93.1	153.5	58.5	0	0	0	0	0	113.9
613	S	29	Very low	39	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	71%	0.71	S	S	*	*			trans	67.8	98.6	-171.7	69.3	0	0	0	0	116.5
614	L	35.1	Very low	40	Very low	180 Å²	180	129.9 Å²	129.9	94%	0.942	70%	0.696	S	S	*	*			trans	-159	146.3	136	-108.2	160.1	0	0	0	108.3
615	Q	40.2	Very low	41.3	Very low	175 Å²	175	130.5 Å²	130.5	82%	0.818	69%	0.691	S	S	*	*			trans	-76.8	145.3	-170.1	-142	95	-24.4	0	0	111.3	P617	Q615-P617 VanDerWaalsContact O-CD 3.28Å; Q615-P617 WeakPolarHBondContact O-CD 3.17Å
616	D	44.5	Very low	42.3	Very low	104 Å²	104	126.4 Å²	126.4	56%	0.556	68%	0.679	S	S	*	*			trans	-70.1	117.7	165.8	179.6	-6.6	0	0	0	109.8	F618 A619	D616-F618 VanDerWaalsContact C-N 3.28Å; D616-F618 PolarHBondContact O-N 2.84Å; D616-F618 PolarHBondContact OD1-N 2.72Å; D616-A619 HydrophobicContact CB-CB 4.48Å
617	P	51.6	Low	43.3	Very low	99 Å²	99	128.1 Å²	128.1	64%	0.643	68%	0.679	S	S	*	*	S	Bend	trans	-70.9	-18.1	-179.7	-17.9	33.1	0	0	0	114.5	Q615	Q615-P617 VanDerWaalsContact O-CD 3.28Å; Q615-P617 WeakPolarHBondContact O-CD 3.17Å
618	F	48.2	Very low	44.1	Very low	147 Å²	147	128.7 Å²	128.7	65%	0.645	68%	0.675	S	S	*	*	S	Bend	trans	-100.7	-16.7	-167.7	-63	-78.5	0	0	0	114	D616 E620 V621 E622	D616-F618 VanDerWaalsContact C-N 3.28Å; D616-F618 PolarHBondContact O-N 2.84Å; D616-F618 PolarHBondContact OD1-N 2.72Å; F618-E620 PolarHBondContact O-N 3.42Å; F618-E620 VanDerWaalsContact O-N 3.14Å; F618-V621 WeakPolarHBondContact O-CA 3.2Å; F618-V621 WeakPolarHBondContact O-CB 3.33Å; F618-V621 PolarHBondContact O-N 3.36Å; F618-E622 PolarHBondContact O-N 3.2Å
619	A	54.9	Low	44.7	Very low	52 Å²	52	125.2 Å²	125.2	43%	0.43	67%	0.665	S	S	.	*	H	α-helix	trans	-55.1	-32.5	177.5	0	0	0	0	0	113.6	D616 A623	D616-A619 HydrophobicContact CB-CB 4.48Å; A619-A623 VanDerWaalsContact O-CB 3.29Å; A619-A623 WeakPolarHBondContact O-CB 3.22Å; A619-A623 PolarHBondContact O-N 2.86Å; A619-A623 VanDerWaalsContact O-N 3.11Å
620	E	48.8	Very low	45.5	Very low	126 Å²	126	117.7 Å²	117.7	59%	0.589	65%	0.65	S	S	*	*	H	α-helix	trans	-78.7	-26.8	175.9	-150.1	-166.7	139.7	0	0	113.1	F618 K624	F618-E620 PolarHBondContact O-N 3.42Å; F618-E620 VanDerWaalsContact O-N 3.14Å; E620-K624 WeakPolarHBondContact O-CB 3.49Å; E620-K624 WeakPolarHBondContact O-CD 3.27Å; E620-K624 VanDerWaalsContact O-CG 3.27Å; E620-K624 WeakPolarHBondContact O-CG 3.25Å; E620-K624 PolarHBondContact O-N 3.26Å; E620-K624 VanDerWaalsContact O-N 3.09Å; E620-K624 WeakPolarHBondContact OE1-CE 3.47Å; E620-K624 IonicContact OE1-NZ 3.07Å; E620-K624 PolarHBondContact OE1-NZ 2.67Å
621	V	56.1	Low	45.7	Very low	79 Å²	79	115.6 Å²	115.6	48%	0.479	64%	0.644	S	S	.	*	H	α-helix	trans	-72.9	-44.4	174.8	-178	0	0	0	0	110.1	F618 A623 K624 L625	F618-V621 WeakPolarHBondContact O-CA 3.2Å; F618-V621 WeakPolarHBondContact O-CB 3.33Å; F618-V621 PolarHBondContact O-N 3.36Å; V621-A623 VanDerWaalsContact C-N 3.35Å; V621-A623 PolarHBondContact O-N 3.26Å; V621-K624 PolarHBondContact O-N 2.87Å; V621-K624 VanDerWaalsContact O-N 3.12Å; V621-L625 HydrophobicContact CG1-CD1 4.45Å; V621-L625 PolarHBondContact O-N 3.31Å
622	E	51.1	Low	45.8	Very low	149 Å²	149	114.8 Å²	114.8	70%	0.696	65%	0.646	S	S	*	*	H	α-helix	trans	-64.7	-39.9	175.9	-161	172.8	-132.8	0	0	111.2	F618 K624 L625 A626	F618-E622 PolarHBondContact O-N 3.2Å; E622-K624 VanDerWaalsContact C-N 3.29Å; E622-K624 PolarHBondContact O-N 3.4Å; E622-L625 PolarHBondContact O-N 2.84Å; E622-A626 WeakPolarHBondContact O-CB 3.48Å; E622-A626 PolarHBondContact O-N 2.97Å
623	A	57.3	Low	45.9	Very low	45 Å²	45	114.7 Å²	114.7	37%	0.372	65%	0.645	S	S	.	*	H	α-helix	trans	-63.7	-29	172	0	0	0	0	0	113.8	A619 V621 R627	A619-A623 VanDerWaalsContact O-CB 3.29Å; A619-A623 WeakPolarHBondContact O-CB 3.22Å; A619-A623 PolarHBondContact O-N 2.86Å; A619-A623 VanDerWaalsContact O-N 3.11Å; V621-A623 VanDerWaalsContact C-N 3.35Å; V621-A623 PolarHBondContact O-N 3.26Å; A623-R627 WeakPolarHBondContact O-CD 3.42Å; A623-R627 VanDerWaalsContact O-CG 3.25Å; A623-R627 WeakPolarHBondContact O-CG 3.37Å; A623-R627 PolarHBondContact O-N 3.45Å
624	K	56.3	Low	46.2	Very low	115 Å²	115	117.6 Å²	117.6	50%	0.5	65%	0.648	S	S	.	*	H	α-helix	trans	-78.1	-41.2	174.2	-77.4	167.1	-176.4	165.9	0	111.9	E620 V621 E622 R627 L628	E620-K624 WeakPolarHBondContact O-CB 3.49Å; E620-K624 WeakPolarHBondContact O-CD 3.27Å; E620-K624 VanDerWaalsContact O-CG 3.27Å; E620-K624 WeakPolarHBondContact O-CG 3.25Å; E620-K624 PolarHBondContact O-N 3.26Å; E620-K624 VanDerWaalsContact O-N 3.09Å; E620-K624 WeakPolarHBondContact OE1-CE 3.47Å; E620-K624 IonicContact OE1-NZ 3.07Å; E620-K624 PolarHBondContact OE1-NZ 2.67Å; V621-K624 PolarHBondContact O-N 2.87Å; V621-K624 VanDerWaalsContact O-N 3.12Å; E622-K624 VanDerWaalsContact C-N 3.29Å; E622-K624 PolarHBondContact O-N 3.4Å; K624-R627 PolarHBondContact O-N 3.09Å; K624-L628 WeakPolarHBondContact O-CG 3.43Å; K624-L628 PolarHBondContact O-N 2.94Å
625	L	53.3	Low	46.1	Very low	107 Å²	107	114.6 Å²	114.6	56%	0.56	64%	0.642	S	S	*	*	H	α-helix	trans	-62.8	-40.4	172.5	-89	162.4	0	0	0	112.5	V621 E622 R627 L628 S629	V621-L625 HydrophobicContact CG1-CD1 4.45Å; V621-L625 PolarHBondContact O-N 3.31Å; E622-L625 PolarHBondContact O-N 2.84Å; L625-R627 VanDerWaalsContact C-N 3.28Å; L625-R627 PolarHBondContact O-N 3.46Å; L625-L628 PolarHBondContact O-N 3.38Å; L625-S629 WeakPolarHBondContact O-CB 3.48Å; L625-S629 PolarHBondContact O-N 2.84Å; L625-S629 PolarHBondContact O-OG 3.07Å
626	A	51.8	Low	45.7	Very low	67 Å²	67	113.5 Å²	113.5	55%	0.554	64%	0.641	S	S	*	*	H	α-helix	trans	-64.2	-31	174.3	0	0	0	0	0	112.8	E622	E622-A626 WeakPolarHBondContact O-CB 3.48Å; E622-A626 PolarHBondContact O-N 2.97Å
627	R	50.7	Low	45	Very low	194 Å²	194	113.2 Å²	113.2	73%	0.732	65%	0.648	S	S	*	*	H	α-helix	trans	-77.5	-38.8	175.2	-75.4	172.9	-177.6	-166	2.1	112.7	A623 K624 L625 S629 S630	A623-R627 WeakPolarHBondContact O-CD 3.42Å; A623-R627 VanDerWaalsContact O-CG 3.25Å; A623-R627 WeakPolarHBondContact O-CG 3.37Å; A623-R627 PolarHBondContact O-N 3.45Å; K624-R627 PolarHBondContact O-N 3.09Å; L625-R627 VanDerWaalsContact C-N 3.28Å; L625-R627 PolarHBondContact O-N 3.46Å; R627-S629 VanDerWaalsContact C-N 3.32Å; R627-S629 PolarHBondContact O-N 2.95Å; R627-S630 PolarHBondContact O-N 3.49Å; R627-S630 PolarHBondContact O-OG 3.21Å
628	L	46.6	Very low	44.1	Very low	132 Å²	132	114.5 Å²	114.5	69%	0.691	66%	0.659	S	S	*	*	H	α-helix	trans	-70.5	-26	175.9	-70.2	168.9	0	0	0	113.4	K624 L625 S630 T631	K624-L628 WeakPolarHBondContact O-CG 3.43Å; K624-L628 PolarHBondContact O-N 2.94Å; L625-L628 PolarHBondContact O-N 3.38Å; L628-S630 PolarHBondContact O-N 3.46Å; L628-T631 PolarHBondContact O-OG1 2.83Å
629	S	43.7	Very low	43.3	Very low	99 Å²	99	115.2 Å²	115.2	69%	0.692	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-0.7	178.1	-55.4	0	0	0	0	114.4	L625 R627	L625-S629 WeakPolarHBondContact O-CB 3.48Å; L625-S629 PolarHBondContact O-N 2.84Å; L625-S629 PolarHBondContact O-OG 3.07Å; R627-S629 VanDerWaalsContact C-N 3.32Å; R627-S629 PolarHBondContact O-N 2.95Å
630	S	42.3	Very low	42.2	Very low	86 Å²	86	118.3 Å²	118.3	60%	0.601	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-3.6	-171.1	70.4	0	0	0	0	115.4	R627 L628	R627-S630 PolarHBondContact O-N 3.49Å; R627-S630 PolarHBondContact O-OG 3.21Å; L628-S630 PolarHBondContact O-N 3.46Å
631	T	37.5	Very low	41.3	Very low	113 Å²	113	118.4 Å²	118.4	69%	0.693	69%	0.687	S	S	*	*	S	Bend	trans	-107.4	7.2	-169.9	41.9	0	0	0	0	115.6	L628	L628-T631 PolarHBondContact O-OG1 2.83Å
632	V	34.9	Very low	40.3	Very low	141 Å²	141	120.6 Å²	120.6	86%	0.855	70%	0.7	S	S	*	*			trans	-131.5	79.7	174.4	-172.1	0	0	0	0	110.5
633	A	30.4	Very low	39.5	Very low	82 Å²	82	119.1 Å²	119.1	68%	0.678	70%	0.704	S	S	*	*			trans	-154.5	70.2	179.3	0	0	0	0	0	113.3
634	M	34.1	Very low	38.2	Very low	178 Å²	178	126 Å²	126	88%	0.877	73%	0.728	S	S	*	*			trans	-148.9	148.8	166.5	-75.8	-60.9	157.6	0	0	110.6
635	S	33.8	Very low	37.3	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	73%	0.73	S	S	*	*			trans	49.9	105.4	173	52.9	0	0	0	0	116.6
636	D	30.9	Very low	36.4	Very low	151 Å²	151	126.5 Å²	126.5	81%	0.807	74%	0.742	S	S	*	*			cis	90.8	114.1	24.9	-156.6	14.5	0	0	0	116.6
637	S	30	Very low	35.6	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	76%	0.755	S	S	*	*			trans	60.1	124.6	163.9	74.4	0	0	0	0	121.8
638	S	34.5	Very low	34.8	Very low	126 Å²	126	131.5 Å²	131.5	88%	0.881	76%	0.76	S	S	*	*			trans	166.8	170.6	132.1	-77.8	0	0	0	0	113.3
639	Q	31.3	Very low	34.3	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.752	77%	0.765	S	S	*	*			trans	-118.8	175.9	-167.6	-64.1	-178.7	-13.4	0	0	114.7
640	T	31.1	Very low	33.9	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.724	77%	0.767	S	S	*	*			trans	84.2	101.4	150.1	21.4	0	0	0	0	123.2
641	V	30.7	Very low	33.6	Very low	127 Å²	127	132.2 Å²	132.2	77%	0.77	77%	0.773	S	S	*	*				47.5	110.4	121.7	-173.8	0	0	0	0	122.5
642	V	33.6	Very low	33.6	Very low	126 Å²	126	131 Å²	131	76%	0.764	77%	0.774	S	S	*	*			trans	36	127.3	130.4	-171	0	0	0	0	122
643	P	34.9	Very low	33.8	Very low	118 Å²	118	131 Å²	131	77%	0.766	77%	0.769	S	S	*	*				-143.7	175.3	128.6	37.8	-22.4	0	0	0	116.9
644	Q	30.7	Very low	34.1	Very low	190 Å²	190	133.6 Å²	133.6	89%	0.888	77%	0.771	S	S	*	*			trans	-104	179.3	-179	-67.2	179.6	-28.2	0	0	114.3
645	I	36	Very low	34.3	Very low	106 Å²	106	132.9 Å²	132.9	54%	0.544	77%	0.77	S	S	.	*			trans	-135.7	155.5	-171.4	-74.7	179.6	0	0	0	112.4	E463	E463-I645 VanDerWaalsContact CD-CD1 3.41Å; E463-I645 HydrophobicContact CG-CD1 3.83Å; E463-I645 WeakPolarHBondContact OE1-CD1 3.47Å
646	P	35.2	Very low	34.1	Very low	125 Å²	125	136.1 Å²	136.1	81%	0.812	77%	0.772	S	S	*	*			trans	-105.5	-158.6	-161.9	41.1	-33.6	0	0	0	117.7
647	K	34.6	Very low	34.8	Very low	186 Å²	186	133.7 Å²	133.7	81%	0.809	77%	0.765	S	S	*	*			trans	-129.2	176	-161.4	-68.1	-174.6	173.4	-173.3	0	116
648	Q	33.6	Very low	35.1	Very low	180 Å²	180	133.9 Å²	133.9	84%	0.841	77%	0.766	S	S	*	*			trans	89.7	161.7	159.2	-66.2	-160.7	-63.3	0	0	117.7
649	P	37.6	Very low	35.3	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	76%	0.76	S	S	*	*			cis	-127.4	-159.7	6.1	37.9	-17.6	0	0	0	115.8
650	S	34.9	Very low	35.6	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	76%	0.755	S	S	*	*			trans	-132.4	-171.6	-173.1	57.3	0	0	0	0	111.7
651	S	34.9	Very low	35.7	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	76%	0.761	S	S	*	*			cis	-164.4	-158.1	24.3	-20.6	0	0	0	0	111.2
652	A	39	Very low	36	Very low	87 Å²	87	134 Å²	134	72%	0.719	76%	0.756	S	S	*	*			trans	82.4	158.4	167.6	0	0	0	0	0	116.4
653	D	37.6	Very low	36	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	76%	0.762	S	S	*	*			cis	-173.8	169.8	-15.9	-99.6	0.1	0	0	0	107.6
654	L	37.6	Very low	36.1	Very low	138 Å²	138	135.8 Å²	135.8	72%	0.723	76%	0.76	S	S	*	*			cis	-165.3	171.7	-5.8	-118.4	172	0	0	0	111.4
655	L	37.4	Very low	36.3	Very low	163 Å²	163	134 Å²	134	85%	0.853	76%	0.757	S	S	*	*			trans	74.5	146.9	161.1	-71.3	167.8	0	0	0	121.9
656	E	31	Very low	36.3	Very low	184 Å²	184	135 Å²	135	86%	0.86	77%	0.768	S	S	*	*			trans	-128	-150.5	-170.8	-55.9	-166.9	136.8	0	0	110.9
657	P	44.8	Very low	36.2	Very low	100 Å²	100	133.3 Å²	133.3	65%	0.649	76%	0.764	S	S	*	*			cis	-147	176.2	-5.8	40.9	-19.3	0	0	0	120.3
658	S	36.9	Very low	36.3	Very low	103 Å²	103	131 Å²	131	72%	0.72	77%	0.765	S	S	*	*			trans	67.3	150.2	143.2	68.6	0	0	0	0	120.7
659	D	37.6	Very low	36.4	Very low	139 Å²	139	126.4 Å²	126.4	74%	0.743	76%	0.758	S	S	*	*			cis	-163.1	165.8	5.1	-135.6	-29.4	0	0	0	115.6
660	T	37.2	Very low	36.3	Very low	107 Å²	107	127 Å²	127	66%	0.656	76%	0.755	S	S	*	*			trans	53.4	121.9	154.1	52.7	0	0	0	0	126.1
661	K	34.9	Very low	36.3	Very low	195 Å²	195	128.6 Å²	128.6	85%	0.848	76%	0.755	S	S	*	*				45.2	149.6	116.9	-66.2	-180	-178	178.5	0	122.2
662	S	37.2	Very low	36.2	Very low	94 Å²	94	128.9 Å²	128.9	66%	0.657	75%	0.752	S	S	*	*			cis	-174.8	150.3	-4.2	45.7	0	0	0	0	113.7
663	E	32.7	Very low	36	Very low	193 Å²	193	131.3 Å²	131.3	90%	0.902	76%	0.758	S	S	*	*			trans	65.5	155.7	151.8	-71.7	-177	139.4	0	0	123.1
664	A	37.2	Very low	35.7	Very low	88 Å²	88	132.2 Å²	132.2	73%	0.727	76%	0.762	S	S	*	*			trans	83.7	105.5	161	0	0	0	0	0	122
665	D	34.5	Very low	35.6	Very low	153 Å²	153	128.5 Å²	128.5	82%	0.818	76%	0.757	S	S	*	*				75	126.9	126.7	-71.9	-23.3	0	0	0	125.8
666	V	35.9	Very low	35.5	Very low	127 Å²	127	127.8 Å²	127.8	77%	0.77	76%	0.759	S	S	*	*			trans	70.6	88.7	137.7	-175.6	0	0	0	0	120.4
667	A	33.4	Very low	35.4	Very low	89 Å²	89	126.6 Å²	126.6	74%	0.736	75%	0.754	S	S	*	*				65.9	166	122.1	0	0	0	0	0	123.4
668	V	36.3	Very low	35.2	Very low	138 Å²	138	127.3 Å²	127.3	84%	0.836	76%	0.758	S	S	*	*			trans	84.1	92.8	163.7	-166.8	0	0	0	0	119.1
669	A	35.4	Very low	34.9	Very low	84 Å²	84	128.2 Å²	128.2	69%	0.694	76%	0.755	S	S	*	*			trans	68.2	164.6	130.3	0	0	0	0	0	124
670	D	35.9	Very low	34.9	Very low	136 Å²	136	128.4 Å²	128.4	73%	0.727	76%	0.761	S	S	*	*			trans	75.1	94.9	155.2	-70.9	-50.5	0	0	0	123.3
671	N	36	Very low	34.5	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	76%	0.762	S	S	*	*				69.8	124.5	111.3	-83.8	-52	0	0	0	124
672	V	32.5	Very low	34.4	Very low	112 Å²	112	128.2 Å²	128.2	68%	0.679	76%	0.764	S	S	*	*			trans	68.5	116.1	138.2	-180	0	0	0	0	120.9
673	V	34.8	Very low	34	Very low	137 Å²	137	134.1 Å²	134.1	83%	0.83	77%	0.772	S	S	*	*				-177.6	126.3	127.4	164.7	0	0	0	0	105.4
674	L	31.1	Very low	34	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	77%	0.771	S	S	*	*			cis	104.8	115.3	15.2	-161.3	152.2	0	0	0	115.1
675	G	34.2	Very low	33.9	Very low	60 Å²	60	130.9 Å²	130.9	62%	0.619	76%	0.764	S	S	*	*			trans	119.6	145.5	171.9	0	0	0	0	0	114.8
676	T	35.2	Very low	33.9	Very low	148 Å²	148	132.3 Å²	132.3	91%	0.908	77%	0.765	S	S	*	*			cis	-161.6	149.6	-11.7	-17.5	0	0	0	0	111.5
677	E	29	Very low	33.6	Very low	160 Å²	160	134.2 Å²	134.2	75%	0.748	77%	0.766	S	S	*	*			trans	-59.9	167.6	166	-81.9	-65.7	135.2	0	0	113	D679	E677-D679 PolarHBondContact OE2-N 3.37Å
678	P	41.9	Very low	33.7	Very low	114 Å²	114	135.8 Å²	135.8	74%	0.74	77%	0.766	S	S	*	*			cis	-151.4	157.1	40.2	42.7	-20.8	0	0	0	122.2
679	D	30.6	Very low	33.6	Very low	122 Å²	122	135.8 Å²	135.8	65%	0.652	77%	0.766	S	S	*	*				24.7	123.7	127.4	-136.1	-16.1	0	0	0	122.1	E677	E677-D679 PolarHBondContact OE2-N 3.37Å
680	V	36.8	Very low	33.4	Very low	144 Å²	144	136.6 Å²	136.6	87%	0.873	77%	0.766	S	S	*	*			trans	-147.3	129	148.4	-176.7	0	0	0	0	110.9
681	N	28.8	Very low	33.3	Very low	124 Å²	124	139 Å²	139	66%	0.663	77%	0.773	S	S	*	*			trans	-99.1	147.9	176.4	-100.8	-96.3	0	0	0	113.3
682	L	33.9	Very low	33.2	Very low	173 Å²	173	137 Å²	137	91%	0.906	78%	0.775	S	S	*	*			trans	-153.6	154.7	153.9	-144.3	68.8	0	0	0	112.9
683	R	28.1	Very low	33.2	Very low	218 Å²	218	140.9 Å²	140.9	82%	0.823	79%	0.786	S	S	*	*			trans	-128.1	-169.6	-176.6	-69.4	179.6	168.6	-174.5	-4.7	110.6
684	V	33.5	Very low	32.9	Very low	145 Å²	145	141.3 Å²	141.3	88%	0.879	79%	0.789	S	S	*	*			trans	88	132.7	165.5	-177.5	0	0	0	0	114.2
685	A	34.5	Very low	32.8	Very low	69 Å²	69	136.8 Å²	136.8	57%	0.57	78%	0.782	S	S	*	*			cis	-168.4	177.9	-16.2	0	0	0	0	0	111.6
686	E	34	Very low	32.6	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	79%	0.79	S	S	*	*			trans	63.9	154.8	149.8	-74.3	154.6	-155.4	0	0	120.7
687	E	30.8	Very low	32.4	Very low	167 Å²	167	145.4 Å²	145.4	78%	0.78	79%	0.793	S	S	*	*			cis	-169.7	157.4	-32.8	-153.7	-164.9	176.8	0	0	109.8
688	V	33.9	Very low	32.3	Very low	123 Å²	123	145.2 Å²	145.2	75%	0.745	79%	0.794	S	S	*	*			trans	62.3	142.5	168.6	-130.5	0	0	0	0	115.3
689	V	34	Very low	31.6	Very low	137 Å²	137	148.6 Å²	148.6	83%	0.83	80%	0.8	S	S	*	*			cis	-142.1	160.5	31	-178.7	0	0	0	0	111.8
690	S	33	Very low	31.8	Very low	101 Å²	101	148.7 Å²	148.7	71%	0.706	81%	0.81	S	S	*	*			trans	-102.5	148.2	-169.8	55.1	0	0	0	0	116.7
691	E	33.7	Very low	31.4	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	80%	0.8	S	S	*	*			trans	-178.3	113	133.8	-100.1	167	-160.1	0	0	107.3
692	A	33.8	Very low	31.5	Very low	93 Å²	93	146.8 Å²	146.8	77%	0.769	80%	0.803	S	S	*	*				64	126.2	92.9	0	0	0	0	0	113.6
693	E	32.7	Very low	31.4	Very low	195 Å²	195	147.5 Å²	147.5	91%	0.911	80%	0.802	S	S	*	*			cis	-135.6	164.2	12.6	-61.7	179.8	125.1	0	0	112.8
694	T	27.3	Very low	31.7	Very low	145 Å²	145	144.6 Å²	144.6	89%	0.89	81%	0.808	S	S	*	*			trans	-100.6	129.6	177.2	49.3	0	0	0	0	112.7
695	G	29.2	Very low	31.5	Very low	66 Å²	66	142 Å²	142	68%	0.68	80%	0.802	S	S	*	*			trans	-126.5	109	176.6	0	0	0	0	0	113.6
696	V	30.4	Very low	31.5	Very low	130 Å²	130	147.8 Å²	147.8	79%	0.788	82%	0.817	S	S	*	*			trans	-83.9	132	172.4	175.1	0	0	0	0	109.6	M698	V696-M698 HydrophobicContact CG1-CB 4.28Å; V696-M698 PolarHBondContact O-N 2.81Å
697	W	29.7	Very low	31.4	Very low	258 Å²	258	146.1 Å²	146.1	98%	0.977	82%	0.818	S	S	*	*			trans	-91.2	84.9	175.2	-72.4	90.9	0	0	0	111
698	M	27.7	Very low	31.4	Very low	156 Å²	156	143 Å²	143	77%	0.768	82%	0.821	S	S	*	*			trans	-124.8	132.4	170.6	-173.2	173.8	-90.9	0	0	109.1	V696	V696-M698 HydrophobicContact CG1-CB 4.28Å; V696-M698 PolarHBondContact O-N 2.81Å
699	E	27.4	Very low	31.2	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	83%	0.828	S	S	*	*			trans	24.1	135.2	166.3	-55.5	-168.3	147.7	0	0	122
700	S	34.2	Very low	31.2	Very low	124 Å²	124	146.4 Å²	146.4	87%	0.867	83%	0.829	S	S	*	*			trans	-137.9	76.4	169.5	69.8	0	0	0	0	112.2
701	E	28.2	Very low	31.3	Very low	139 Å²	139	145.6 Å²	145.6	65%	0.65	82%	0.824	S	S	*	*			trans	-92.5	161.1	154.3	-84.3	-153.8	171.4	0	0	110.6	R753	E701-R753 IonicContact OE1-CZ 2.67Å; E701-R753 IonicContact OE1-NH1 3.24Å; E701-R753 IonicContact OE1-NH2 3.42Å; E701-R753 PolarHBondContact OE1-NH2 3.13Å; E701-R753 IonicContact OE2-CZ 2.72Å; E701-R753 IonicContact OE2-NH1 3.42Å; E701-R753 PolarHBondContact OE2-NH1 2.92Å; E701-R753 IonicContact OE2-NH2 3.98Å; E701-R753 PolarHBondContact OE2-NH2 3.32Å
702	A	32.3	Very low	31.3	Very low	89 Å²	89	144.5 Å²	144.5	74%	0.736	82%	0.819	S	S	*	*			trans	63.5	111.9	173.5	0	0	0	0	0	118.1
703	Q	31.2	Very low	31	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	82%	0.821	S	S	*	*				171.9	96.6	106.6	-90	177.7	40.2	0	0	111.9
704	V	33.5	Very low	31.1	Very low	156 Å²	156	143.2 Å²	143.2	95%	0.945	81%	0.811	S	S	*	*			trans	-140.4	89.8	154	-175.8	0	0	0	0	108
705	A	30.6	Very low	31.3	Very low	91 Å²	91	145.3 Å²	145.3	75%	0.752	81%	0.811	S	S	*	*			trans	-144.5	99.3	175.7	0	0	0	0	0	109.7
706	H	33.4	Very low	31.6	Very low	191 Å²	191	147.6 Å²	147.6	88%	0.884	81%	0.814	S	S	*	*			trans	-153.4	164.5	171.6	-109	-87	0	0	0	109.4
707	V	32.7	Very low	31.8	Very low	146 Å²	146	150.5 Å²	150.5	89%	0.885	82%	0.819	S	S	*	*			trans	74.9	75.1	-173.8	-165	0	0	0	0	113.9
708	A	30.7	Very low	32.1	Very low	101 Å²	101	143.8 Å²	143.8	84%	0.835	81%	0.808	S	S	*	*			trans	-146.1	109.7	154.5	0	0	0	0	0	109.1
709	Q	29.9	Very low	32.5	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	81%	0.811	S	S	*	*			trans	-162.7	164.9	173.7	-117.7	179.5	-11.7	0	0	109.3
710	V	34.5	Very low	32.8	Very low	142 Å²	142	142.6 Å²	142.6	86%	0.861	81%	0.809	S	S	*	*			trans	73	119.3	-164.7	-172.6	0	0	0	0	111.7
711	S	34.2	Very low	32.7	Very low	84 Å²	84	140.3 Å²	140.3	59%	0.587	80%	0.798	S	S	*	*			cis	-159.1	159.2	-7.9	-117	0	0	0	0	111.5
712	E	33	Very low	32.8	Very low	164 Å²	164	142.4 Å²	142.4	77%	0.766	81%	0.81	S	S	*	*			trans	35.6	142.2	138.4	-63.9	154.5	131.1	0	0	121.1
713	E	28.9	Very low	32.9	Very low	174 Å²	174	144.2 Å²	144.2	81%	0.813	81%	0.812	S	S	*	*			cis	-165.5	170.2	-2.9	-127.8	-170.5	168	0	0	112
714	A	33.5	Very low	32.9	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	81%	0.806	S	S	*	*			trans	65.6	146.5	161.9	0	0	0	0	0	119.7
715	Q	32.8	Very low	33.2	Very low	190 Å²	190	138 Å²	138	89%	0.888	79%	0.791	S	S	*	*			cis	-156.2	145	-13	-119.2	177.6	7.3	0	0	110.5
716	P	34.3	Very low	33.4	Very low	114 Å²	114	143.4 Å²	143.4	74%	0.74	79%	0.792	S	S	*	*			trans	-117.1	165.2	-175.2	41.4	-33.7	0	0	0	115.8
717	Q	35.3	Very low	33.5	Very low	191 Å²	191	144.1 Å²	144.1	89%	0.893	79%	0.787	S	S	*	*			trans	-166.5	122.4	154.1	-121.6	167.4	71.2	0	0	115.3
718	P	35.7	Very low	33.6	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	78%	0.775	S	S	*	*			trans	-126.2	150.4	170.5	38.9	-27	0	0	0	115.2
719	L	36	Very low	33.8	Very low	158 Å²	158	143.4 Å²	143.4	83%	0.827	77%	0.768	S	S	*	*			trans	-154.7	153.1	174.9	-63.7	177.2	0	0	0	109.1
720	L	34.4	Very low	34.2	Very low	158 Å²	158	141.7 Å²	141.7	83%	0.827	77%	0.77	S	S	*	*			cis	-151.6	-161.9	-10.3	-123.6	171.3	0	0	0	110.5
721	A	31.9	Very low	34.2	Very low	77 Å²	77	137.9 Å²	137.9	64%	0.636	76%	0.759	S	S	*	*			trans	-143.9	173.2	-160.7	0	0	0	0	0	117.7
722	M	30	Very low	34.3	Very low	183 Å²	183	140.3 Å²	140.3	90%	0.901	77%	0.771	S	S	*	*			trans	75.6	161.7	173.2	-48.9	-169.8	166.7	0	0	115.2
723	V	34.9	Very low	34.3	Very low	127 Å²	127	140.1 Å²	140.1	77%	0.77	77%	0.77	S	S	*	*			cis	-150.3	123.6	24.3	172.4	0	0	0	0	108.7
724	S	31.6	Very low	34.5	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	77%	0.769	S	S	*	*				81.1	162.8	84.8	-154.3	0	0	0	0	118.8
725	V	38.4	Very low	34.3	Very low	106 Å²	106	138.3 Å²	138.3	64%	0.642	77%	0.77	S	S	*	*			trans	79.4	135.6	169.1	-178.6	0	0	0	0	117
726	R	34.8	Very low	34.2	Very low	204 Å²	204	136 Å²	136	77%	0.77	77%	0.769	S	S	*	*			cis	-157.5	146.6	-13.4	-102	170.4	-162.8	144.5	1.4	107.2
727	R	36.1	Very low	34.3	Very low	207 Å²	207	138.5 Å²	138.5	78%	0.781	78%	0.775	S	S	*	*				46.9	157.1	87.1	-63.6	-160.9	-169	165.7	-1.3	117.4
728	E	35	Very low	34.1	Very low	132 Å²	132	136.1 Å²	136.1	62%	0.617	77%	0.774	S	S	*	*			cis	-147.5	163	6.7	-106.1	111.4	177.8	0	0	106.3
729	S	35.5	Very low	34.1	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	78%	0.781	S	S	*	*			cis	-180	-170.1	-18.6	-85.8	0	0	0	0	109.4
730	V	36.5	Very low	34	Very low	155 Å²	155	141.3 Å²	141.3	94%	0.939	78%	0.784	S	S	*	*			trans	89.5	129.3	171.3	-174.9	0	0	0	0	117.2
731	G	35.5	Very low	33.9	Very low	61 Å²	61	143 Å²	143	63%	0.629	79%	0.787	S	S	*	*			cis	159.9	157.3	-11.6	0	0	0	0	0	114.4
732	V	36.2	Very low	34	Very low	136 Å²	136	147.4 Å²	147.4	82%	0.824	80%	0.8	S	S	*	*			trans	67.8	130.9	168.8	-177.2	0	0	0	0	115.5
733	E	32.8	Very low	34.3	Very low	159 Å²	159	147 Å²	147	74%	0.743	80%	0.796	S	S	*	*			cis	-158.3	-174.7	-19.1	-114.3	168.4	-113.6	0	0	105.8
734	V	33.5	Very low	34.6	Very low	133 Å²	133	147 Å²	147	81%	0.806	80%	0.798	S	S	*	*			cis	-141.6	176.7	16.3	-146.6	0	0	0	0	108.6
735	A	29	Very low	35.3	Very low	89 Å²	89	146.9 Å²	146.9	74%	0.736	79%	0.793	S	S	*	*			trans	-147.1	128.5	176.6	0	0	0	0	0	115
736	V	30.5	Very low	36.5	Very low	141 Å²	141	145.8 Å²	145.8	86%	0.855	78%	0.783	S	S	*	*			trans	-151.7	98.6	151.7	-176.5	0	0	0	0	109.4
737	L	37	Very low	37.3	Very low	168 Å²	168	143.4 Å²	143.4	88%	0.88	78%	0.781	S	S	*	*			trans	-157.4	126.9	148.9	-83.6	-168.5	0	0	0	107.4
738	T	30.7	Very low	38.3	Very low	141 Å²	141	140.9 Å²	140.9	87%	0.865	78%	0.778	S	S	*	*			trans	-138.5	96.5	172.6	51.2	0	0	0	0	108.4
739	E	36.3	Very low	39.4	Very low	190 Å²	190	141.2 Å²	141.2	89%	0.888	78%	0.78	S	S	*	*			trans	-108	159.9	161.2	-67.3	-172.2	151.9	0	0	108.4
740	E	33.7	Very low	39.9	Very low	192 Å²	192	139.4 Å²	139.4	90%	0.897	76%	0.764	S	S	*	*			trans	-74.1	144.6	-154	-61.3	176	115.7	0	0	114.6	L742	E740-L742 PolarHBondContact O-N 3.3Å
741	E	31.3	Very low	40.7	Very low	193 Å²	193	137.1 Å²	137.1	90%	0.902	75%	0.746	S	S	*	*			trans	-68.8	98.4	175.1	-71.5	-174.2	115.4	0	0	111.2	Q743	E741-Q743 PolarHBondContact O-N 2.79Å
742	L	35.1	Very low	41.6	Very low	171 Å²	171	136.8 Å²	136.8	90%	0.895	74%	0.738	S	S	*	*			trans	-55.7	119.6	158.2	-76.7	168	0	0	0	108.8	E740	E740-L742 PolarHBondContact O-N 3.3Å
743	Q	35.2	Very low	42.2	Very low	174 Å²	174	136.5 Å²	136.5	81%	0.813	72%	0.722	S	S	*	*			trans	-58.2	136.9	-175.6	-68	-175.3	-8.9	0	0	111.2	E741 V745	E741-Q743 PolarHBondContact O-N 2.79Å; Q743-V745 PolarHBondContact O-N 3.46Å
744	P	41	Very low	42.9	Very low	127 Å²	127	133.5 Å²	133.5	83%	0.825	71%	0.71	S	S	*	*			trans	-68.4	107.1	-176.5	27.1	-34.1	0	0	0	110.6	D746	P744-D746 PolarHBondContact O-N 2.95Å
745	V	47.8	Very low	43.8	Very low	106 Å²	106	133.2 Å²	133.2	64%	0.642	70%	0.7	S	S	*	*			trans	-57.4	129.3	171.6	-173.5	0	0	0	0	108.9	Q743 Q747 V750	Q743-V745 PolarHBondContact O-N 3.46Å; V745-Q747 PolarHBondContact O-N 2.97Å; V745-V750 HydrophobicContact CB-CG2 4.44Å; V745-V750 HydrophobicContact CG1-CG2 3.64Å
746	D	62.4	Low	45.2	Very low	83 Å²	83	133.3 Å²	133.3	44%	0.444	69%	0.687	S	S	.	*			trans	-57.5	112.2	-175.8	176.6	7.8	0	0	0	111.2	P744 Q748 Q749 V750	P744-D746 PolarHBondContact O-N 2.95Å; D746-Q748 PolarHBondContact O-N 3.43Å; D746-Q748 VanDerWaalsContact O-N 3.16Å; D746-Q748 PolarHBondContact OD1-N 3.4Å; D746-Q749 HydrophobicContact CB-CB 4.03Å; D746-Q749 PolarHBondContact O-N 3.18Å; D746-V750 PolarHBondContact O-N 2.9Å
747	Q	51.8	Low	46.3	Very low	154 Å²	154	130.7 Å²	130.7	72%	0.72	67%	0.668	S	S	*	*	H	α-helix	trans	-56.5	-31.7	179.9	-75	-170.7	-13.2	0	0	112.4	V745 V750 L751	V745-Q747 PolarHBondContact O-N 2.97Å; Q747-V750 PolarHBondContact O-N 2.82Å; Q747-L751 VanDerWaalsContact O-CB 3.28Å; Q747-L751 WeakPolarHBondContact O-CB 3.12Å; Q747-L751 WeakPolarHBondContact O-CG 3.27Å; Q747-L751 PolarHBondContact O-N 3.07Å
748	Q	58.4	Low	47.3	Very low	154 Å²	154	128.1 Å²	128.1	72%	0.72	65%	0.652	S	S	*	*	H	α-helix	trans	-74.5	-33.4	179.2	-69.6	-180	-25.4	0	0	111.5	D746 A752	D746-Q748 PolarHBondContact O-N 3.43Å; D746-Q748 VanDerWaalsContact O-N 3.16Å; D746-Q748 PolarHBondContact OD1-N 3.4Å; Q748-A752 VanDerWaalsContact O-CB 3.26Å; Q748-A752 WeakPolarHBondContact O-CB 3.42Å; Q748-A752 PolarHBondContact O-N 3.17Å
749	Q	57.4	Low	48.6	Very low	139 Å²	139	127.8 Å²	127.8	65%	0.65	64%	0.641	S	S	*	*	H	α-helix	trans	-70.1	-39	171.8	-163.7	171.8	80	0	0	111.8	D746 R753	D746-Q749 HydrophobicContact CB-CB 4.03Å; D746-Q749 PolarHBondContact O-N 3.18Å; Q749-R753 WeakPolarHBondContact O-CB 3.45Å; Q749-R753 PolarHBondContact O-N 2.91Å
750	V	46.1	Very low	49.8	Very low	62 Å²	62	121.3 Å²	121.3	38%	0.376	61%	0.61	S	S	.	*	H	α-helix	trans	-64.5	-46.1	172.9	177.9	0	0	0	0	111.3	V745 D746 Q747 A752 R753 L754	V745-V750 HydrophobicContact CB-CG2 4.44Å; V745-V750 HydrophobicContact CG1-CG2 3.64Å; D746-V750 PolarHBondContact O-N 2.9Å; Q747-V750 PolarHBondContact O-N 2.82Å; V750-A752 PolarHBondContact O-N 2.99Å; V750-R753 PolarHBondContact O-N 3.21Å; V750-L754 HydrophobicContact CG1-CD1 3.96Å; V750-L754 HydrophobicContact CG1-CG 4.41Å; V750-L754 WeakPolarHBondContact O-CB 3.44Å; V750-L754 WeakPolarHBondContact O-CG 3.32Å; V750-L754 PolarHBondContact O-N 2.71Å
751	L	53.1	Low	51.2	Low	106 Å²	106	114 Å²	114	56%	0.555	58%	0.579	S	S	*	*	H	α-helix	trans	-64.3	-39.4	177.4	-74.3	168.6	0	0	0	112.1	Q747 L754 Q755	Q747-L751 VanDerWaalsContact O-CB 3.28Å; Q747-L751 WeakPolarHBondContact O-CB 3.12Å; Q747-L751 WeakPolarHBondContact O-CG 3.27Å; Q747-L751 PolarHBondContact O-N 3.07Å; L751-L754 PolarHBondContact O-N 2.92Å; L751-Q755 WeakPolarHBondContact O-CB 3.39Å; L751-Q755 PolarHBondContact O-N 2.87Å
752	A	54.9	Low	52.9	Low	55 Å²	55	105.7 Å²	105.7	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-41.1	173.8	0	0	0	0	0	112.1	Q748 V750 Q755 L756	Q748-A752 VanDerWaalsContact O-CB 3.26Å; Q748-A752 WeakPolarHBondContact O-CB 3.42Å; Q748-A752 PolarHBondContact O-N 3.17Å; V750-A752 PolarHBondContact O-N 2.99Å; A752-Q755 PolarHBondContact O-N 3Å; A752-L756 WeakPolarHBondContact O-CB 3.41Å; A752-L756 PolarHBondContact O-N 2.98Å
753	R	48	Very low	54.1	Low	130 Å²	130	98.8 Å²	98.8	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-42.6	174	-164.8	80.2	170.6	-128.5	-0.7	111	E701 Q749 V750 L756 L757	E701-R753 IonicContact OE1-CZ 2.67Å; E701-R753 IonicContact OE1-NH1 3.24Å; E701-R753 IonicContact OE1-NH2 3.42Å; E701-R753 PolarHBondContact OE1-NH2 3.13Å; E701-R753 IonicContact OE2-CZ 2.72Å; E701-R753 IonicContact OE2-NH1 3.42Å; E701-R753 PolarHBondContact OE2-NH1 2.92Å; E701-R753 IonicContact OE2-NH2 3.98Å; E701-R753 PolarHBondContact OE2-NH2 3.32Å; Q749-R753 WeakPolarHBondContact O-CB 3.45Å; Q749-R753 PolarHBondContact O-N 2.91Å; V750-R753 PolarHBondContact O-N 3.21Å; R753-L756 PolarHBondContact O-N 2.94Å; R753-L757 HydrophobicContact CG-CD1 4.38Å; R753-L757 WeakPolarHBondContact O-CB 3.22Å; R753-L757 VanDerWaalsContact O-CG 3.25Å; R753-L757 WeakPolarHBondContact O-CG 3.46Å; R753-L757 PolarHBondContact O-N 2.89Å
754	L	47	Very low	55.3	Low	95 Å²	95	92 Å²	92	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175.2	-75.5	169.4	0	0	0	112.3	V750 L751 L756 L757 E758	V750-L754 HydrophobicContact CG1-CD1 3.96Å; V750-L754 HydrophobicContact CG1-CG 4.41Å; V750-L754 WeakPolarHBondContact O-CB 3.44Å; V750-L754 WeakPolarHBondContact O-CG 3.32Å; V750-L754 PolarHBondContact O-N 2.71Å; L751-L754 PolarHBondContact O-N 2.92Å; L754-L756 VanDerWaalsContact C-N 3.31Å; L754-L756 PolarHBondContact O-N 2.87Å; L754-L757 PolarHBondContact O-N 2.83Å; L754-E758 WeakPolarHBondContact O-CB 3.38Å; L754-E758 PolarHBondContact O-N 3.27Å
755	Q	53.6	Low	56.3	Low	127 Å²	127	93.6 Å²	93.6	59%	0.593	48%	0.484	S	S	*	.	H	α-helix	trans	-67.4	-32.3	178	-165.7	-175.5	5.2	0	0	112	L751 A752 Q759	L751-Q755 WeakPolarHBondContact O-CB 3.39Å; L751-Q755 PolarHBondContact O-N 2.87Å; A752-Q755 PolarHBondContact O-N 3Å; Q755-Q759 WeakPolarHBondContact O-CG 3.4Å; Q755-Q759 PolarHBondContact O-N 2.88Å; Q755-Q759 VanDerWaalsContact O-N 3.08Å; Q755-Q759 PolarHBondContact O-NE2 3.29Å
756	L	57.2	Low	57	Low	91 Å²	91	92.3 Å²	92.3	48%	0.476	47%	0.471	S	S	.	.	H	α-helix	trans	-70.8	-38.3	172.1	-179.3	62.4	0	0	0	112	A752 R753 L754 Q760	A752-L756 WeakPolarHBondContact O-CB 3.41Å; A752-L756 PolarHBondContact O-N 2.98Å; R753-L756 PolarHBondContact O-N 2.94Å; L754-L756 VanDerWaalsContact C-N 3.31Å; L754-L756 PolarHBondContact O-N 2.87Å; L756-Q760 WeakPolarHBondContact O-CG 3.5Å; L756-Q760 PolarHBondContact O-N 3.33Å
757	L	54	Low	56.9	Low	86 Å²	86	88.8 Å²	88.8	45%	0.45	45%	0.453	S	S	.	.	H	α-helix	trans	-68.3	-38.4	173.7	-73.2	166.6	0	0	0	111.8	R753 L754 Q760 V761	R753-L757 HydrophobicContact CG-CD1 4.38Å; R753-L757 WeakPolarHBondContact O-CB 3.22Å; R753-L757 VanDerWaalsContact O-CG 3.25Å; R753-L757 WeakPolarHBondContact O-CG 3.46Å; R753-L757 PolarHBondContact O-N 2.89Å; L754-L757 PolarHBondContact O-N 2.83Å; L757-Q760 WeakPolarHBondContact O-CB 3.27Å; L757-Q760 PolarHBondContact O-N 2.88Å; L757-Q760 VanDerWaalsContact O-N 3.09Å; L757-V761 PolarHBondContact O-N 2.81Å
758	E	58	Low	57.4	Low	115 Å²	115	91.2 Å²	91.2	54%	0.537	46%	0.461	S	S	.	.	H	α-helix	trans	-66.2	-39.4	175	-178.5	156.7	-121.9	0	0	111.9	K132 L754 Q760 V761	K132-E758 IonicContact NZ-OE1 3.88Å; K132-E758 PolarHBondContact NZ-OE1 3.09Å; L754-E758 WeakPolarHBondContact O-CB 3.38Å; L754-E758 PolarHBondContact O-N 3.27Å; E758-Q760 PolarHBondContact O-N 3.41Å; E758-V761 PolarHBondContact O-N 2.96Å; E758-V761 VanDerWaalsContact O-N 3.14Å
759	Q	58	Low	58.1	Low	134 Å²	134	86.3 Å²	86.3	63%	0.626	44%	0.44	S	S	*	.	H	α-helix	trans	-63.6	-20.5	170.6	-78.8	169.8	80.8	0	0	113.8	Q755	Q755-Q759 WeakPolarHBondContact O-CG 3.4Å; Q755-Q759 PolarHBondContact O-N 2.88Å; Q755-Q759 VanDerWaalsContact O-N 3.08Å; Q755-Q759 PolarHBondContact O-NE2 3.29Å
760	Q	61.5	Low	59	Low	54 Å²	54	86.7 Å²	86.7	25%	0.252	44%	0.439	S	S	.	.	H	α-helix	trans	-82	-17.5	175.8	-75.8	176.3	38.6	0	0	113.4	L134 T178 H180 L756 L757 E758	L134-Q760 HydrophobicContact CD1-CB 4.01Å; L134-Q760 WeakPolarHBondContact CD1-O 3.39Å; T178-Q760 HydrophobicContact CG2-CB 4.26Å; T178-Q760 HydrophobicContact CG2-CG 4.44Å; H180-Q760 PolarHBondContact CE1-O 2.83Å; H180-Q760 VanDerWaalsContact CE1-O 3.26Å; H180-Q760 PolarHBondContact ND1-O 3.09Å; L756-Q760 WeakPolarHBondContact O-CG 3.5Å; L756-Q760 PolarHBondContact O-N 3.33Å; L757-Q760 WeakPolarHBondContact O-CB 3.27Å; L757-Q760 PolarHBondContact O-N 2.88Å; L757-Q760 VanDerWaalsContact O-N 3.09Å; E758-Q760 PolarHBondContact O-N 3.41Å
761	V	63.6	Low	60.4	Low	39 Å²	39	89.3 Å²	89.3	24%	0.236	45%	0.451	C	S	.	.			trans	-86.2	137.1	-179.1	170.1	0	0	0	0	110.6	K132 F133 L757 E758	K132-V761 HydrophobicContact CB-CG1 3.47Å; K132-V761 VanDerWaalsContact CB-CG1 3.47Å; K132-V761 HydrophobicContact CD-CG1 3.92Å; K132-V761 HydrophobicContact CG-CG1 3.54Å; F133-V761 WeakPolarHBondContact O-CA 3.38Å; L757-V761 PolarHBondContact O-N 2.81Å; E758-V761 PolarHBondContact O-N 2.96Å; E758-V761 VanDerWaalsContact O-N 3.14Å
762	V	66.7	Low	61.1	Low	18 Å²	18	85.7 Å²	85.7	11%	0.109	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-124.4	137.1	180	-175.4	0	0	0	0	109.6	V125 F133 H180	V125-V762 HydrophobicContact CG1-CB 4.37Å; V125-V762 HydrophobicContact CG1-CG1 4.04Å; F133-V762 WeakPolarHBondContact CA-O 3.4Å; F133-V762 WeakPolarHBondContact CB-O 3.35Å; F133-V762 PolarHBondContact N-O 3.24Å; F133-V762 PolarHBondContact O-N 2.92Å; H180-V762 HydrophobicContact CB-CG2 3.83Å
763	G	61.6	Low	61.9	Low	26 Å²	26	87 Å²	87	27%	0.268	43%	0.426	S	S	.	.			trans	170.7	147	176	0	0	0	0	0	112.2	E765	G763-E765 PolarHBondContact O-N 2.92Å
764	G	59	Low	63.2	Low	30 Å²	30	84.4 Å²	84.4	31%	0.309	42%	0.419	S	S	.	.	S	Bend	trans	72.8	-12.4	168.3	0	0	0	0	0	118.3	Q766 A767	G764-Q766 VanDerWaalsContact C-N 3.26Å; G764-Q766 PolarHBondContact O-N 3.37Å; G764-Q766 VanDerWaalsContact O-N 3.15Å; G764-A767 VanDerWaalsContact O-CB 3.23Å; G764-A767 WeakPolarHBondContact O-CB 3.28Å; G764-A767 PolarHBondContact O-N 2.87Å
765	E	62.2	Low	64.6	Low	162 Å²	162	84 Å²	84	76%	0.757	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.8	-177.4	-65.5	-170.8	143.9	0	0	113.6	G763	G763-E765 PolarHBondContact O-N 2.92Å
766	Q	61.9	Low	65.6	Low	79 Å²	79	79.1 Å²	79.1	37%	0.369	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	20	176.6	-61.9	-152.3	41.2	0	0	113.6	Q126 G764 K768 N769 L772	Q126-Q766 HydrophobicContact CB-CB 4.35Å; Q126-Q766 CarbonylContact O-C 3.58Å; Q126-Q766 VanDerWaalsContact O-C 3.29Å; G764-Q766 VanDerWaalsContact C-N 3.26Å; G764-Q766 PolarHBondContact O-N 3.37Å; G764-Q766 VanDerWaalsContact O-N 3.15Å; Q766-K768 PolarHBondContact O-N 3.15Å; Q766-K768 VanDerWaalsContact O-N 3.13Å; Q766-N769 HydrophobicContact CB-CB 4.07Å; Q766-N769 WeakPolarHBondContact O-CB 3.49Å; Q766-N769 PolarHBondContact O-N 3.14Å; Q766-N769 PolarHBondContact OE1-ND2 3Å; Q766-L772 HydrophobicContact CB-CD1 3.99Å
767	A	61.8	Low	66.7	Low	8 Å²	8	80.4 Å²	80.4	7%	0.066	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.4	175.4	0	0	0	0	0	112.1	Q126 E129 G764 N769 R773	Q126-A767 WeakPolarHBondContact O-CA 3.05Å; Q126-A767 PolarHBondContact O-N 2.87Å; Q126-A767 VanDerWaalsContact O-N 3.08Å; E129-A767 HydrophobicContact CG-CB 4.13Å; G764-A767 VanDerWaalsContact O-CB 3.23Å; G764-A767 WeakPolarHBondContact O-CB 3.28Å; G764-A767 PolarHBondContact O-N 2.87Å; A767-N769 VanDerWaalsContact C-N 3.27Å; A767-N769 PolarHBondContact O-N 3.05Å; A767-R773 VanDerWaalsContact O-CD 3.3Å; A767-R773 WeakPolarHBondContact O-CD 3.36Å; A767-R773 PolarHBondContact O-NE 3.3Å; A767-R773 PolarHBondContact O-NH1 2.95Å; A767-R773 VanDerWaalsContact O-NH1 3.13Å; A767-R773 PolarHBondContact O-NH2 2.6Å
768	K	61.5	Low	67.9	Low	205 Å²	205	84 Å²	84	89%	0.891	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.2	176.3	-64.4	177.6	-177.2	172.6	0	113.8	Q766 K770	Q766-K768 PolarHBondContact O-N 3.15Å; Q766-K768 VanDerWaalsContact O-N 3.13Å; K768-K770 PolarHBondContact O-N 3.23Å; K768-K770 VanDerWaalsContact O-N 3.14Å
769	N	74.2	Confident	68.8	Low	51 Å²	51	81.6 Å²	81.6	27%	0.273	39%	0.386	S	S	.	.			trans	-76.8	99.9	177.5	-172.4	-23	0	0	0	110.3	Q766 A767 D771 L772 R773	Q766-N769 HydrophobicContact CB-CB 4.07Å; Q766-N769 WeakPolarHBondContact O-CB 3.49Å; Q766-N769 PolarHBondContact O-N 3.14Å; Q766-N769 PolarHBondContact OE1-ND2 3Å; A767-N769 VanDerWaalsContact C-N 3.27Å; A767-N769 PolarHBondContact O-N 3.05Å; N769-D771 VanDerWaalsContact C-N 3.26Å; N769-D771 PolarHBondContact O-N 3.24Å; N769-D771 PolarHBondContact OD1-N 3.19Å; N769-D771 VanDerWaalsContact OD1-N 3.09Å; N769-L772 HydrophobicContact CB-CB 4.25Å; N769-L772 HydrophobicContact CB-CD1 4.19Å; N769-L772 PolarHBondContact OD1-N 2.79Å; N769-R773 PolarHBondContact O-N 3.04Å
770	K	74.9	Confident	69.9	Low	147 Å²	147	78.4 Å²	78.4	64%	0.639	37%	0.37	S	S	*	.	H	α-helix	trans	-58.6	-36.5	-179.5	-172	-170.6	171.8	-163	0	112.5	K768 R773 E774	K768-K770 PolarHBondContact O-N 3.23Å; K768-K770 VanDerWaalsContact O-N 3.14Å; K770-R773 PolarHBondContact O-N 2.95Å; K770-E774 WeakPolarHBondContact O-CB 3.48Å; K770-E774 PolarHBondContact O-N 3.46Å
771	D	74.9	Confident	70.8	Confident	117 Å²	117	83.6 Å²	83.6	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-76.7	-38.2	-171.8	-58.7	-25.9	0	0	0	111.5	N769 E774 K775	N769-D771 VanDerWaalsContact C-N 3.26Å; N769-D771 PolarHBondContact O-N 3.24Å; N769-D771 PolarHBondContact OD1-N 3.19Å; N769-D771 VanDerWaalsContact OD1-N 3.09Å; D771-E774 PolarHBondContact O-N 3.08Å; D771-K775 VanDerWaalsContact O-CB 3.22Å; D771-K775 WeakPolarHBondContact O-CB 3.23Å; D771-K775 PolarHBondContact O-N 3.34Å
772	L	68.4	Low	71.5	Confident	30 Å²	30	87.2 Å²	87.2	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-60.4	-45.6	168.3	-83.1	174.7	0	0	0	111.4	Q766 N769 E774 K775 H776	Q766-L772 HydrophobicContact CB-CD1 3.99Å; N769-L772 HydrophobicContact CB-CB 4.25Å; N769-L772 HydrophobicContact CB-CD1 4.19Å; N769-L772 PolarHBondContact OD1-N 2.79Å; L772-E774 PolarHBondContact O-N 3.42Å; L772-K775 PolarHBondContact O-N 3.2Å; L772-H776 PolarHBondContact O-N 3.46Å
773	R	72.1	Confident	71.7	Confident	83 Å²	83	86.6 Å²	86.6	31%	0.313	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-41.2	176.7	-76.8	-173.9	156	175.9	0.5	112.9	C127 E129 A767 N769 K770 K777	C127-R773 HydrophobicContact CB-CG 4.35Å; C127-R773 PolarHBondContact O-NE 2.86Å; C127-R773 PolarHBondContact O-NH2 3.18Å; E129-R773 VanDerWaalsContact CG-NH2 3.3Å; E129-R773 IonicContact OE1-CZ 3.75Å; E129-R773 IonicContact OE1-NH1 3.52Å; E129-R773 PolarHBondContact OE1-NH1 3.49Å; E129-R773 IonicContact OE1-NH2 3.47Å; E129-R773 PolarHBondContact OE1-NH2 3.43Å; A767-R773 VanDerWaalsContact O-CD 3.3Å; A767-R773 WeakPolarHBondContact O-CD 3.36Å; A767-R773 PolarHBondContact O-NE 3.3Å; A767-R773 PolarHBondContact O-NH1 2.95Å; A767-R773 VanDerWaalsContact O-NH1 3.13Å; A767-R773 PolarHBondContact O-NH2 2.6Å; N769-R773 PolarHBondContact O-N 3.04Å; K770-R773 PolarHBondContact O-N 2.95Å; R773-K777 WeakPolarHBondContact O-CB 3.43Å; R773-K777 PolarHBondContact O-N 3.31Å
774	E	75.3	Confident	72.4	Confident	75 Å²	75	89.3 Å²	89.3	35%	0.35	40%	0.402	S	S	.	.	H	α-helix	trans	-70.9	-36.1	177.4	-154.1	-178.4	128.8	0	0	111.4	K770 D771 L772 K777 R778	K770-E774 WeakPolarHBondContact O-CB 3.48Å; K770-E774 PolarHBondContact O-N 3.46Å; D771-E774 PolarHBondContact O-N 3.08Å; L772-E774 PolarHBondContact O-N 3.42Å; E774-K777 PolarHBondContact O-N 3.29Å; E774-R778 VanDerWaalsContact O-CB 3.27Å; E774-R778 WeakPolarHBondContact O-CB 3.49Å; E774-R778 WeakPolarHBondContact O-CD 3.39Å; E774-R778 WeakPolarHBondContact O-CG 3.32Å; E774-R778 PolarHBondContact O-N 2.95Å; E774-R778 IonicContact OE1-CZ 2.86Å; E774-R778 VanDerWaalsContact OE1-CZ 3.23Å; E774-R778 IonicContact OE1-NE 2.61Å; E774-R778 PolarHBondContact OE1-NE 3.17Å; E774-R778 IonicContact OE1-NH2 2.72Å; E774-R778 PolarHBondContact OE1-NH2 3.39Å
775	K	76.1	Confident	73.2	Confident	86 Å²	86	91.9 Å²	91.9	37%	0.374	41%	0.406	S	S	.	.	H	α-helix	trans	-62.8	-49.1	173.2	-179.1	-175.4	170.6	-136	0	112.4	E123 D771 L772 R778 R779	E123-K775 WeakPolarHBondContact OE1-CD 3.23Å; E123-K775 WeakPolarHBondContact OE1-CE 3.13Å; E123-K775 IonicContact OE1-NZ 2.66Å; E123-K775 PolarHBondContact OE1-NZ 2.92Å; D771-K775 VanDerWaalsContact O-CB 3.22Å; D771-K775 WeakPolarHBondContact O-CB 3.23Å; D771-K775 PolarHBondContact O-N 3.34Å; L772-K775 PolarHBondContact O-N 3.2Å; K775-R778 PolarHBondContact O-N 3.38Å; K775-R779 WeakPolarHBondContact O-CG 3.47Å; K775-R779 PolarHBondContact O-N 3.14Å
776	H	74.5	Confident	73.6	Confident	26 Å²	26	88 Å²	88	12%	0.12	39%	0.385	C	S	.	.	H	α-helix	trans	-59.9	-48	174.2	-175.6	-81.6	0	0	0	110.6	E77 E123 S124 L772 R778 R779 K780	E77-H776 IonicContact OE1-CE1 3.28Å; E77-H776 PolarHBondContact OE1-CE1 3.48Å; E77-H776 IonicContact OE1-NE2 2.74Å; E77-H776 IonicContact OE2-CE1 2.7Å; E77-H776 IonicContact OE2-NE2 3.97Å; E77-H776 PolarHBondContact OE2-NE2 3.45Å; E123-H776 HydrophobicContact CG-CB 4.31Å; S124-H776 PolarHBondContact OG-NE2 3.2Å; S124-H776 VanDerWaalsContact OG-NE2 3.11Å; L772-H776 PolarHBondContact O-N 3.46Å; H776-R778 VanDerWaalsContact C-N 3.33Å; H776-R778 PolarHBondContact O-N 3.34Å; H776-R779 WeakPolarHBondContact O-CB 3.48Å; H776-R779 PolarHBondContact O-N 3.49Å; H776-R779 VanDerWaalsContact O-N 3.13Å; H776-K780 WeakPolarHBondContact O-CB 3.49Å; H776-K780 PolarHBondContact O-N 3.38Å
777	K	79.6	Confident	73.9	Confident	117 Å²	117	89.9 Å²	89.9	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-34	177.4	-169.2	171.1	-171.8	169.3	0	113.5	R773 E774 R781	R773-K777 WeakPolarHBondContact O-CB 3.43Å; R773-K777 PolarHBondContact O-N 3.31Å; E774-K777 PolarHBondContact O-N 3.29Å; K777-R781 VanDerWaalsContact O-CB 3.27Å; K777-R781 WeakPolarHBondContact O-CB 3.47Å; K777-R781 WeakPolarHBondContact O-CD 3.46Å; K777-R781 WeakPolarHBondContact O-CG 3.45Å; K777-R781 PolarHBondContact O-N 2.87Å
778	R	80.6	Confident	74.4	Confident	163 Å²	163	95.9 Å²	95.9	62%	0.615	42%	0.416	S	S	*	.	H	α-helix	trans	-68.2	-45.9	172.1	-76.1	166.3	-177.8	-151.5	7.5	110.9	E774 K775 H776 Y782	E774-R778 VanDerWaalsContact O-CB 3.27Å; E774-R778 WeakPolarHBondContact O-CB 3.49Å; E774-R778 WeakPolarHBondContact O-CD 3.39Å; E774-R778 WeakPolarHBondContact O-CG 3.32Å; E774-R778 PolarHBondContact O-N 2.95Å; E774-R778 IonicContact OE1-CZ 2.86Å; E774-R778 VanDerWaalsContact OE1-CZ 3.23Å; E774-R778 IonicContact OE1-NE 2.61Å; E774-R778 PolarHBondContact OE1-NE 3.17Å; E774-R778 IonicContact OE1-NH2 2.72Å; E774-R778 PolarHBondContact OE1-NH2 3.39Å; K775-R778 PolarHBondContact O-N 3.38Å; H776-R778 VanDerWaalsContact C-N 3.33Å; H776-R778 PolarHBondContact O-N 3.34Å; R778-Y782 WeakPolarHBondContact O-CB 3.4Å; R778-Y782 PolarHBondContact O-N 3.05Å
779	R	76.3	Confident	74.8	Confident	63 Å²	63	90.7 Å²	90.7	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-59.8	-50	175.4	-75.9	174	160.2	-171.8	-13.4	111.8	Y73 E123 K775 H776 Y782 A783	Y73-R779 HydrophobicContact CE2-CB 3.96Å; E123-R779 IonicContact OE1-NH1 3.58Å; E123-R779 PolarHBondContact OE1-NH1 2.88Å; E123-R779 WeakPolarHBondContact OE2-CD 3.24Å; E123-R779 IonicContact OE2-CZ 3.09Å; E123-R779 IonicContact OE2-NE 2.66Å; E123-R779 IonicContact OE2-NH1 3.34Å; E123-R779 PolarHBondContact OE2-NH1 3.32Å; K775-R779 WeakPolarHBondContact O-CG 3.47Å; K775-R779 PolarHBondContact O-N 3.14Å; H776-R779 WeakPolarHBondContact O-CB 3.48Å; H776-R779 PolarHBondContact O-N 3.49Å; H776-R779 VanDerWaalsContact O-N 3.13Å; R779-Y782 PolarHBondContact O-N 2.89Å; R779-A783 PolarHBondContact O-N 3.4Å
780	K	80.3	Confident	74.2	Confident	67 Å²	67	91.6 Å²	91.6	29%	0.291	40%	0.4	S	S	.	.	H	α-helix	trans	-59.2	-49.1	177.2	-170	161.8	-169.1	159.6	0	112.2	Y73 E77 H776 Y782 A783 D784	Y73-K780 HydrophobicContact CE1-CB 4.39Å; Y73-K780 PolarHBondContact OH-N 3.21Å; E77-K780 WeakPolarHBondContact OE1-CD 3.16Å; E77-K780 VanDerWaalsContact OE1-CE 3.31Å; E77-K780 WeakPolarHBondContact OE1-CE 3.48Å; E77-K780 IonicContact OE1-NZ 3.17Å; E77-K780 PolarHBondContact OE1-NZ 3.25Å; H776-K780 WeakPolarHBondContact O-CB 3.49Å; H776-K780 PolarHBondContact O-N 3.38Å; K780-Y782 VanDerWaalsContact C-N 3.33Å; K780-Y782 PolarHBondContact O-N 2.97Å; K780-A783 PolarHBondContact O-N 3Å; K780-D784 WeakPolarHBondContact O-CB 3.38Å; K780-D784 PolarHBondContact O-N 2.95Å
781	R	81.9	Confident	73.7	Confident	163 Å²	163	87.9 Å²	87.9	62%	0.615	39%	0.389	S	S	*	.	H	α-helix	trans	-57.9	-41.6	174.3	-79.2	170.7	165.1	-174.5	-8.6	113.1	K777 E785	K777-R781 VanDerWaalsContact O-CB 3.27Å; K777-R781 WeakPolarHBondContact O-CB 3.47Å; K777-R781 WeakPolarHBondContact O-CD 3.46Å; K777-R781 WeakPolarHBondContact O-CG 3.45Å; K777-R781 PolarHBondContact O-N 2.87Å; R781-E785 VanDerWaalsContact O-CB 3.23Å; R781-E785 WeakPolarHBondContact O-CB 3.45Å; R781-E785 PolarHBondContact O-N 3.03Å
782	Y	78.2	Confident	73.4	Confident	116 Å²	116	84.1 Å²	84.1	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-46.4	177.2	177.8	-94.5	0	0	0	111.2	N69 R778 R779 K780 R786	N69-Y782 HydrophobicContact CB-CE1 4.34Å; R778-Y782 WeakPolarHBondContact O-CB 3.4Å; R778-Y782 PolarHBondContact O-N 3.05Å; R779-Y782 PolarHBondContact O-N 2.89Å; K780-Y782 VanDerWaalsContact C-N 3.33Å; K780-Y782 PolarHBondContact O-N 2.97Å; Y782-R786 HydrophobicContact CE1-CG 4.28Å; Y782-R786 WeakPolarHBondContact O-CB 3.43Å; Y782-R786 PolarHBondContact O-N 3.12Å; Y782-R786 PolarHBondContact OH-NH1 2.72Å
783	A	70.1	Confident	73.1	Confident	5 Å²	5	85 Å²	85	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-65.5	-42.5	177.8	0	0	0	0	0	112.7	Y73 R779 K780 R786 K787	Y73-A783 HydrophobicContact CD1-CB 3.49Å; Y73-A783 VanDerWaalsContact CD1-CB 3.49Å; Y73-A783 HydrophobicContact CE1-CB 3.9Å; Y73-A783 HydrophobicContact CG-CB 4.36Å; R779-A783 PolarHBondContact O-N 3.4Å; K780-A783 PolarHBondContact O-N 3Å; A783-R786 PolarHBondContact O-N 3.49Å; A783-K787 WeakPolarHBondContact O-CB 3.3Å; A783-K787 PolarHBondContact O-N 3.29Å
784	D	77.1	Confident	72.3	Confident	82 Å²	82	86 Å²	86	44%	0.439	40%	0.397	S	S	.	.	H	α-helix	trans	-64.8	-42.2	176.8	-77.6	-37.7	0	0	0	112.1	K780 K787 K788	K780-D784 WeakPolarHBondContact O-CB 3.38Å; K780-D784 PolarHBondContact O-N 2.95Å; D784-K787 PolarHBondContact O-N 3.35Å; D784-K788 WeakPolarHBondContact O-CB 3.28Å; D784-K788 PolarHBondContact O-N 3.11Å
785	E	76.1	Confident	71.5	Confident	84 Å²	84	87.9 Å²	87.9	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-70.9	-39.5	177.1	-175.2	56.5	-144.4	0	0	111.4	R781 K788 Q789	R781-E785 VanDerWaalsContact O-CB 3.23Å; R781-E785 WeakPolarHBondContact O-CB 3.45Å; R781-E785 PolarHBondContact O-N 3.03Å; E785-K788 WeakPolarHBondContact O-CB 3.38Å; E785-K788 PolarHBondContact O-N 2.97Å; E785-K788 IonicContact OE2-NZ 3.67Å; E785-Q789 WeakPolarHBondContact O-CB 3.39Å; E785-Q789 VanDerWaalsContact O-CG 3.28Å; E785-Q789 WeakPolarHBondContact O-CG 3.21Å; E785-Q789 PolarHBondContact O-N 3.27Å; E785-Q789 PolarHBondContact OE1-NE2 3.21Å
786	R	70	Confident	70.4	Confident	80 Å²	80	88.6 Å²	88.6	30%	0.302	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-40.7	172.4	-102.8	-71.1	-176	83.1	-21.7	112.6	E70 Y782 A783 K788 Q789 L790	E70-R786 VanDerWaalsContact CG-NH1 3.33Å; E70-R786 IonicContact OE1-CZ 3.78Å; E70-R786 IonicContact OE1-NH1 2.83Å; E70-R786 PolarHBondContact OE1-NH1 3.03Å; E70-R786 IonicContact OE1-NH2 2.91Å; Y782-R786 HydrophobicContact CE1-CG 4.28Å; Y782-R786 WeakPolarHBondContact O-CB 3.43Å; Y782-R786 PolarHBondContact O-N 3.12Å; Y782-R786 PolarHBondContact OH-NH1 2.72Å; A783-R786 PolarHBondContact O-N 3.49Å; R786-K788 VanDerWaalsContact C-N 3.33Å; R786-Q789 PolarHBondContact O-N 2.77Å; R786-L790 WeakPolarHBondContact O-CG 3.26Å; R786-L790 PolarHBondContact O-N 3.14Å
787	K	67.2	Low	69.3	Low	120 Å²	120	90.6 Å²	90.6	52%	0.522	43%	0.431	S	S	.	.	H	α-helix	trans	-59.9	-43.3	172.3	174.1	-174.6	172	-169.5	0	111.2	A783 D784 L790 V791	A783-K787 WeakPolarHBondContact O-CB 3.3Å; A783-K787 PolarHBondContact O-N 3.29Å; D784-K787 PolarHBondContact O-N 3.35Å; K787-L790 PolarHBondContact O-N 3.05Å; K787-V791 WeakPolarHBondContact O-CG2 3.34Å; K787-V791 PolarHBondContact O-N 3.38Å
788	K	72.8	Confident	67.8	Low	133 Å²	133	90.5 Å²	90.5	58%	0.578	44%	0.436	S	S	*	.	H	α-helix	trans	-65.3	-39.9	175.7	-175.8	-174.1	167.7	-154.6	0	112.1	D784 E785 R786 V791 A792	D784-K788 WeakPolarHBondContact O-CB 3.28Å; D784-K788 PolarHBondContact O-N 3.11Å; E785-K788 WeakPolarHBondContact O-CB 3.38Å; E785-K788 PolarHBondContact O-N 2.97Å; E785-K788 IonicContact OE2-NZ 3.67Å; R786-K788 VanDerWaalsContact C-N 3.33Å; K788-V791 PolarHBondContact O-N 3.01Å; K788-A792 WeakPolarHBondContact O-CB 3.47Å; K788-A792 PolarHBondContact O-N 2.7Å
789	Q	71.3	Confident	66.2	Low	97 Å²	97	89.2 Å²	89.2	45%	0.453	44%	0.437	S	S	.	.	H	α-helix	trans	-65.1	-40.6	174.4	-73.1	169	11.4	0	0	112.3	E785 R786 A792 A793	E785-Q789 WeakPolarHBondContact O-CB 3.39Å; E785-Q789 VanDerWaalsContact O-CG 3.28Å; E785-Q789 WeakPolarHBondContact O-CG 3.21Å; E785-Q789 PolarHBondContact O-N 3.27Å; E785-Q789 PolarHBondContact OE1-NE2 3.21Å; R786-Q789 PolarHBondContact O-N 2.77Å; Q789-A792 PolarHBondContact O-N 2.97Å; Q789-A793 VanDerWaalsContact O-CB 3.32Å; Q789-A793 WeakPolarHBondContact O-CB 3.11Å; Q789-A793 PolarHBondContact O-N 3.08Å
790	L	60.4	Low	64.9	Low	69 Å²	69	91.2 Å²	91.2	36%	0.361	45%	0.452	S	S	.	.	H	α-helix	trans	-65.6	-42.8	174	-73.9	167.7	0	0	0	111.7	R786 K787 A792 A793 L794	R786-L790 WeakPolarHBondContact O-CG 3.26Å; R786-L790 PolarHBondContact O-N 3.14Å; K787-L790 PolarHBondContact O-N 3.05Å; L790-A792 VanDerWaalsContact C-N 3.35Å; L790-A792 PolarHBondContact O-N 3.45Å; L790-A793 PolarHBondContact O-N 3.2Å; L790-L794 WeakPolarHBondContact O-CB 3.28Å; L790-L794 VanDerWaalsContact O-CG 3.29Å; L790-L794 WeakPolarHBondContact O-CG 3.34Å; L790-L794 PolarHBondContact O-N 2.9Å
791	V	65.6	Low	63.4	Low	70 Å²	70	89.9 Å²	89.9	42%	0.424	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-42.2	173.6	169.3	0	0	0	0	111.3	K787 K788 L794 Q795	K787-V791 WeakPolarHBondContact O-CG2 3.34Å; K787-V791 PolarHBondContact O-N 3.38Å; K788-V791 PolarHBondContact O-N 3.01Å; V791-L794 PolarHBondContact O-N 2.85Å; V791-Q795 HydrophobicContact CG1-CG 4.48Å; V791-Q795 WeakPolarHBondContact O-CB 3.41Å; V791-Q795 VanDerWaalsContact O-CG 3.25Å; V791-Q795 WeakPolarHBondContact O-CG 3.41Å; V791-Q795 PolarHBondContact O-N 3.38Å
792	A	67.4	Low	61.5	Low	37 Å²	37	85 Å²	85	31%	0.306	46%	0.457	S	S	.	.	H	α-helix	trans	-66.7	-40	175.5	0	0	0	0	0	112.3	K788 Q789 L790 L794 Q795 N796	K788-A792 WeakPolarHBondContact O-CB 3.47Å; K788-A792 PolarHBondContact O-N 2.7Å; Q789-A792 PolarHBondContact O-N 2.97Å; L790-A792 VanDerWaalsContact C-N 3.35Å; L790-A792 PolarHBondContact O-N 3.45Å; A792-L794 PolarHBondContact O-N 3.2Å; A792-Q795 PolarHBondContact O-N 3.05Å; A792-N796 WeakPolarHBondContact O-CB 3.25Å; A792-N796 PolarHBondContact O-N 3.28Å; A792-N796 PolarHBondContact O-OD1 3.41Å
793	A	61.5	Low	59.9	Low	50 Å²	50	83.5 Å²	83.5	41%	0.413	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-38.7	176.3	0	0	0	0	0	112.1	Q789 L790 S797	Q789-A793 VanDerWaalsContact O-CB 3.32Å; Q789-A793 WeakPolarHBondContact O-CB 3.11Å; Q789-A793 PolarHBondContact O-N 3.08Å; L790-A793 PolarHBondContact O-N 3.2Å; A793-S797 PolarHBondContact O-N 2.67Å; A793-S797 VanDerWaalsContact O-N 3.12Å; A793-S797 PolarHBondContact O-OG 2.8Å
794	L	56.6	Low	58.8	Low	103 Å²	103	92.1 Å²	92.1	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-49.7	171.7	-71.8	167.4	0	0	0	110.8	L790 V791 A792 N796 S797 D798	L790-L794 WeakPolarHBondContact O-CB 3.28Å; L790-L794 VanDerWaalsContact O-CG 3.29Å; L790-L794 WeakPolarHBondContact O-CG 3.34Å; L790-L794 PolarHBondContact O-N 2.9Å; V791-L794 PolarHBondContact O-N 2.85Å; A792-L794 PolarHBondContact O-N 3.2Å; L794-N796 PolarHBondContact O-N 2.85Å; L794-S797 CarbonylContact O-C 3.43Å; L794-S797 WeakPolarHBondContact O-CA 3.25Å; L794-S797 PolarHBondContact O-N 3.2Å; L794-S797 PolarHBondContact O-OG 3.42Å; L794-D798 PolarHBondContact O-N 2.66Å
795	Q	57.6	Low	57.3	Low	115 Å²	115	93.8 Å²	93.8	54%	0.537	50%	0.502	S	S	.	.	H	α-helix	trans	-56.5	-47.1	176.2	-76	172.6	-31	0	0	112.1	V791 A792 S797 D798 E799	V791-Q795 HydrophobicContact CG1-CG 4.48Å; V791-Q795 WeakPolarHBondContact O-CB 3.41Å; V791-Q795 VanDerWaalsContact O-CG 3.25Å; V791-Q795 WeakPolarHBondContact O-CG 3.41Å; V791-Q795 PolarHBondContact O-N 3.38Å; A792-Q795 PolarHBondContact O-N 3.05Å; Q795-S797 PolarHBondContact O-N 3.16Å; Q795-D798 CarbonylContact O-C 3.57Å; Q795-D798 WeakPolarHBondContact O-CA 3.37Å; Q795-D798 PolarHBondContact O-N 2.88Å; Q795-E799 WeakPolarHBondContact O-CG 3.15Å; Q795-E799 PolarHBondContact O-N 2.92Å
796	N	54.1	Low	55.9	Low	100 Å²	100	95.7 Å²	95.7	54%	0.535	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-23.2	176.8	-64.7	9.5	0	0	0	112.8	A792 L794	A792-N796 WeakPolarHBondContact O-CB 3.25Å; A792-N796 PolarHBondContact O-N 3.28Å; A792-N796 PolarHBondContact O-OD1 3.41Å; L794-N796 PolarHBondContact O-N 2.85Å
797	S	50.9	Low	54.7	Low	69 Å²	69	99.5 Å²	99.5	48%	0.483	54%	0.54	S	S	.	.	H	α-helix	trans	-84.4	-25	171.5	70.3	0	0	0	0	113.5	A793 L794 Q795	A793-S797 PolarHBondContact O-N 2.67Å; A793-S797 VanDerWaalsContact O-N 3.12Å; A793-S797 PolarHBondContact O-OG 2.8Å; L794-S797 CarbonylContact O-C 3.43Å; L794-S797 WeakPolarHBondContact O-CA 3.25Å; L794-S797 PolarHBondContact O-N 3.2Å; L794-S797 PolarHBondContact O-OG 3.42Å; Q795-S797 PolarHBondContact O-N 3.16Å
798	D	48.9	Very low	54	Low	114 Å²	114	97.3 Å²	97.3	61%	0.61	53%	0.534	S	S	*	.	H	α-helix	trans	-80.5	-24.2	170.4	-75.4	-35.1	0	0	0	112.6	L794 Q795 D800 G801 G802	L794-D798 PolarHBondContact O-N 2.66Å; Q795-D798 CarbonylContact O-C 3.57Å; Q795-D798 WeakPolarHBondContact O-CA 3.37Å; Q795-D798 PolarHBondContact O-N 2.88Å; D798-D800 PolarHBondContact O-N 3.13Å; D798-G801 CarbonylContact O-C 3.57Å; D798-G801 VanDerWaalsContact O-CA 3.3Å; D798-G801 WeakPolarHBondContact O-CA 3.28Å; D798-G801 PolarHBondContact O-N 2.73Å; D798-G802 PolarHBondContact O-N 3.09Å
799	E	46.1	Very low	53	Low	137 Å²	137	97.2 Å²	97.2	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-58.2	-32.3	170.9	-77.8	-176.6	161.2	0	0	111.7	Q795 G801 G802	Q795-E799 WeakPolarHBondContact O-CG 3.15Å; Q795-E799 PolarHBondContact O-N 2.92Å; E799-G801 PolarHBondContact O-N 3.28Å; E799-G801 VanDerWaalsContact O-N 3.14Å; E799-G802 PolarHBondContact O-N 2.95Å
800	D	49	Very low	52.9	Low	105 Å²	105	96.1 Å²	96.1	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-73	-0.4	173.4	-142.8	6.6	0	0	0	113.1	D798 K826	D798-D800 PolarHBondContact O-N 3.13Å; D800-K826 WeakPolarHBondContact OD1-CE 3.46Å; D800-K826 IonicContact OD1-NZ 3.75Å; D800-K826 PolarHBondContact OD1-NZ 3.34Å
801	G	47.9	Very low	53.5	Low	39 Å²	39	100.3 Å²	100.3	40%	0.402	56%	0.559	S	S	.	*	H	α-helix	trans	-124.9	-15.8	173.8	0	0	0	0	0	116.3	D798 E799	D798-G801 CarbonylContact O-C 3.57Å; D798-G801 VanDerWaalsContact O-CA 3.3Å; D798-G801 WeakPolarHBondContact O-CA 3.28Å; D798-G801 PolarHBondContact O-N 2.73Å; E799-G801 PolarHBondContact O-N 3.28Å; E799-G801 VanDerWaalsContact O-N 3.14Å
802	G	43.1	Very low	54	Low	59 Å²	59	99.4 Å²	99.4	61%	0.608	56%	0.556	S	S	*	*	H	α-helix	trans	-86.2	-15.3	-171.7	0	0	0	0	0	116.6	D798 E799 W804	D798-G802 PolarHBondContact O-N 3.09Å; E799-G802 PolarHBondContact O-N 2.95Å; G802-W804 PolarHBondContact O-N 2.72Å
803	D	44.3	Very low	54.5	Low	85 Å²	85	103.8 Å²	103.8	46%	0.455	57%	0.573	S	S	.	*			trans	-77.3	57.8	-175.5	-168.7	32.5	0	0	0	113.4
804	W	46.8	Very low	55.2	Low	187 Å²	187	107.6 Å²	107.6	71%	0.708	58%	0.582	S	S	*	*	S	Bend	trans	-123.8	118.9	169.6	-153.2	79.6	0	0	0	108.8	G802	G802-W804 PolarHBondContact O-N 2.72Å
805	V	45.7	Very low	56	Low	117 Å²	117	107.1 Å²	107.1	71%	0.709	58%	0.577	S	S	*	*	S	Bend	trans	74.4	48.4	-168.8	-154	0	0	0	0	115.2
806	L	46.5	Very low	56.7	Low	124 Å²	124	104.6 Å²	104.6	65%	0.649	57%	0.565	S	S	*	*			trans	-98.6	140.2	145.1	-100.7	157.9	0	0	0	109.5	N808	L806-N808 PolarHBondContact O-N 3.2Å
807	L	45.1	Very low	57.9	Low	160 Å²	160	103.8 Å²	103.8	84%	0.838	56%	0.564	S	S	*	*			trans	-76.7	76.9	173.4	-91.4	80.9	0	0	0	109.7	V809	L807-V809 PolarHBondContact O-N 3.05Å; L807-V809 VanDerWaalsContact O-N 3.07Å
808	N	52.1	Low	59.2	Low	74 Å²	74	108.7 Å²	108.7	40%	0.396	57%	0.572	S	S	.	*			trans	-67.2	105.7	170.4	-69.9	-25.3	0	0	0	108.9	L806 Y810	L806-N808 PolarHBondContact O-N 3.2Å; N808-Y810 HydrophobicContact CB-CE1 4.08Å; N808-Y810 HydrophobicContact CB-CE2 3.94Å; N808-Y810 VanDerWaalsContact O-CD2 3.27Å; N808-Y810 WeakPolarHBondContact O-CD2 3.4Å; N808-Y810 WeakPolarHBondContact O-CE2 3.36Å; N808-Y810 PolarHBondContact O-N 2.96Å
809	V	53.2	Low	60.3	Low	131 Å²	131	104.8 Å²	104.8	79%	0.794	56%	0.555	S	S	*	*			trans	-74.8	115.9	169.3	-180	0	0	0	0	107	L807	L807-V809 PolarHBondContact O-N 3.05Å; L807-V809 VanDerWaalsContact O-N 3.07Å
810	Y	69	Low	61.6	Low	73 Å²	73	103.9 Å²	103.9	29%	0.286	55%	0.549	S	S	.	.			trans	-97.7	131.5	177.6	-60.3	-73.7	0	0	0	109.8	N808 S812 E815 E816 A819	N808-Y810 HydrophobicContact CB-CE1 4.08Å; N808-Y810 HydrophobicContact CB-CE2 3.94Å; N808-Y810 VanDerWaalsContact O-CD2 3.27Å; N808-Y810 WeakPolarHBondContact O-CD2 3.4Å; N808-Y810 WeakPolarHBondContact O-CE2 3.36Å; N808-Y810 PolarHBondContact O-N 2.96Å; Y810-S812 PolarHBondContact O-N 3.47Å; Y810-E815 HydrophobicContact CD1-CB 4.41Å; Y810-E815 HydrophobicContact CD1-CG 4.05Å; Y810-E816 HydrophobicContact CD1-CB 4.46Å; Y810-E816 HydrophobicContact CD2-CB 3.53Å; Y810-E816 HydrophobicContact CD2-CG 3.63Å; Y810-E816 HydrophobicContact CE2-CB 4.07Å; Y810-E816 HydrophobicContact CE2-CG 3.82Å; Y810-E816 HydrophobicContact CG-CB 3.75Å; Y810-E816 HydrophobicContact CG-CG 4.37Å; Y810-A819 HydrophobicContact CE1-CB 3.54Å; Y810-A819 WeakPolarHBondContact OH-CB 3.18Å
811	D	71.4	Confident	63.1	Low	158 Å²	158	101.8 Å²	101.8	85%	0.845	54%	0.542	S	S	*	.	S	Bend	trans	-73.6	-9.6	178.5	-72.9	-25.8	0	0	0	112.1	E815	D811-E815 PolarHBondContact N-OE2 3.24Å
812	S	78	Confident	64.5	Low	51 Å²	51	107.1 Å²	107.1	36%	0.357	56%	0.555	S	S	.	*	S	Bend	trans	-151.8	144.5	174.7	179.1	0	0	0	0	112.8	Y810 Q814 E815 E816	Y810-S812 PolarHBondContact O-N 3.47Å; S812-Q814 PolarHBondContact O-N 2.88Å; S812-Q814 VanDerWaalsContact O-N 3.15Å; S812-Q814 PolarHBondContact OG-N 2.82Å; S812-E815 WeakPolarHBondContact O-CA 3.39Å; S812-E815 WeakPolarHBondContact O-CB 3.43Å; S812-E815 PolarHBondContact O-N 3.46Å; S812-E816 PolarHBondContact O-N 3.07Å; S812-E816 VanDerWaalsContact O-N 3.09Å
813	I	76.9	Confident	65.9	Low	129 Å²	129	107.1 Å²	107.1	66%	0.662	54%	0.541	S	S	*	.	H	α-helix	trans	-55.2	-31.2	169.6	-60	171.4	0	0	0	111	E815 E816 V817	I813-E815 VanDerWaalsContact C-N 3.27Å; I813-E815 PolarHBondContact O-N 2.8Å; I813-E816 PolarHBondContact O-N 3.39Å; I813-V817 HydrophobicContact CG2-CG2 4.37Å; I813-V817 WeakPolarHBondContact O-CB 3.43Å; I813-V817 VanDerWaalsContact O-CG2 3.26Å; I813-V817 WeakPolarHBondContact O-CG2 3.14Å; I813-V817 PolarHBondContact O-N 3.09Å
814	Q	75.3	Confident	67.3	Low	130 Å²	130	108 Å²	108	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-67.6	-29	176.5	-63.2	-179.8	-9.2	0	0	112.7	S812 R818	S812-Q814 PolarHBondContact O-N 2.88Å; S812-Q814 VanDerWaalsContact O-N 3.15Å; S812-Q814 PolarHBondContact OG-N 2.82Å; Q814-R818 VanDerWaalsContact O-CG 3.26Å; Q814-R818 WeakPolarHBondContact O-CG 3.37Å; Q814-R818 PolarHBondContact O-N 2.96Å; Q814-R818 VanDerWaalsContact O-N 3.16Å
815	E	74.9	Confident	68.8	Low	93 Å²	93	103.9 Å²	103.9	44%	0.435	53%	0.533	S	S	.	.	H	α-helix	trans	-80.1	-42.8	177.2	-168.9	170.1	-129	0	0	111	Y810 D811 S812 I813 V817 R818 A819	Y810-E815 HydrophobicContact CD1-CB 4.41Å; Y810-E815 HydrophobicContact CD1-CG 4.05Å; D811-E815 PolarHBondContact N-OE2 3.24Å; S812-E815 WeakPolarHBondContact O-CA 3.39Å; S812-E815 WeakPolarHBondContact O-CB 3.43Å; S812-E815 PolarHBondContact O-N 3.46Å; I813-E815 VanDerWaalsContact C-N 3.27Å; I813-E815 PolarHBondContact O-N 2.8Å; E815-V817 VanDerWaalsContact C-N 3.31Å; E815-V817 PolarHBondContact O-N 2.66Å; E815-R818 PolarHBondContact O-N 3.18Å; E815-A819 WeakPolarHBondContact O-CB 3.46Å; E815-A819 PolarHBondContact O-N 3.38Å
816	E	72.7	Confident	69.9	Low	62 Å²	62	101.7 Å²	101.7	29%	0.29	51%	0.514	S	S	.	.	H	α-helix	trans	-53.6	-47.7	169.3	-175.5	-171.6	168.3	0	0	111.4	Y810 S812 I813 A819 K820	Y810-E816 HydrophobicContact CD1-CB 4.46Å; Y810-E816 HydrophobicContact CD2-CB 3.53Å; Y810-E816 HydrophobicContact CD2-CG 3.63Å; Y810-E816 HydrophobicContact CE2-CB 4.07Å; Y810-E816 HydrophobicContact CE2-CG 3.82Å; Y810-E816 HydrophobicContact CG-CB 3.75Å; Y810-E816 HydrophobicContact CG-CG 4.37Å; S812-E816 PolarHBondContact O-N 3.07Å; S812-E816 VanDerWaalsContact O-N 3.09Å; I813-E816 PolarHBondContact O-N 3.39Å; E816-A819 PolarHBondContact O-N 2.85Å; E816-K820 HydrophobicContact CG-CD 4.04Å; E816-K820 WeakPolarHBondContact O-CB 3.13Å; E816-K820 WeakPolarHBondContact O-CG 2.88Å; E816-K820 PolarHBondContact O-N 2.86Å; E816-K820 WeakPolarHBondContact OE1-CE 3.33Å; E816-K820 IonicContact OE1-NZ 3.52Å; E816-K820 PolarHBondContact OE1-NZ 2.92Å
817	V	77.6	Confident	71.1	Confident	83 Å²	83	99.5 Å²	99.5	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-40.3	178.1	168	0	0	0	0	111.7	I813 E815 S821	I813-V817 HydrophobicContact CG2-CG2 4.37Å; I813-V817 WeakPolarHBondContact O-CB 3.43Å; I813-V817 VanDerWaalsContact O-CG2 3.26Å; I813-V817 WeakPolarHBondContact O-CG2 3.14Å; I813-V817 PolarHBondContact O-N 3.09Å; E815-V817 VanDerWaalsContact C-N 3.31Å; E815-V817 PolarHBondContact O-N 2.66Å; V817-S821 VanDerWaalsContact O-CB 3.27Å; V817-S821 WeakPolarHBondContact O-CB 3.38Å; V817-S821 PolarHBondContact O-N 2.84Å; V817-S821 PolarHBondContact O-OG 3.24Å
818	R	77.8	Confident	72.6	Confident	172 Å²	172	96.1 Å²	96.1	65%	0.649	48%	0.482	S	S	*	.	H	α-helix	trans	-64.5	-45.9	174.5	-76.9	170.6	-175	146.1	2.9	111.8	Q814 E815 S821 K822	Q814-R818 VanDerWaalsContact O-CG 3.26Å; Q814-R818 WeakPolarHBondContact O-CG 3.37Å; Q814-R818 PolarHBondContact O-N 2.96Å; Q814-R818 VanDerWaalsContact O-N 3.16Å; E815-R818 PolarHBondContact O-N 3.18Å; R818-S821 PolarHBondContact O-N 2.85Å; R818-K822 WeakPolarHBondContact O-CB 3.46Å; R818-K822 PolarHBondContact O-N 2.7Å
819	A	72.4	Confident	73.7	Confident	32 Å²	32	99 Å²	99	26%	0.264	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-48.8	178.8	0	0	0	0	0	111.3	Y810 E815 E816 S821 K822 L823	Y810-A819 HydrophobicContact CE1-CB 3.54Å; Y810-A819 WeakPolarHBondContact OH-CB 3.18Å; E815-A819 WeakPolarHBondContact O-CB 3.46Å; E815-A819 PolarHBondContact O-N 3.38Å; E816-A819 PolarHBondContact O-N 2.85Å; A819-S821 VanDerWaalsContact C-N 3.35Å; A819-S821 PolarHBondContact O-N 2.91Å; A819-K822 PolarHBondContact O-N 2.85Å; A819-L823 WeakPolarHBondContact O-CB 3.46Å; A819-L823 PolarHBondContact O-N 3.18Å
820	K	74.6	Confident	74.5	Confident	117 Å²	117	97.8 Å²	97.8	51%	0.509	47%	0.471	S	S	.	.	H	α-helix	trans	-61.7	-38.7	175.8	-73.5	180	175.9	177.6	0	112.5	E816 L823 L824	E816-K820 HydrophobicContact CG-CD 4.04Å; E816-K820 WeakPolarHBondContact O-CB 3.13Å; E816-K820 WeakPolarHBondContact O-CG 2.88Å; E816-K820 PolarHBondContact O-N 2.86Å; E816-K820 WeakPolarHBondContact OE1-CE 3.33Å; E816-K820 IonicContact OE1-NZ 3.52Å; E816-K820 PolarHBondContact OE1-NZ 2.92Å; K820-L823 PolarHBondContact O-N 2.95Å; K820-L824 VanDerWaalsContact O-CB 3.3Å; K820-L824 WeakPolarHBondContact O-CB 3.28Å; K820-L824 PolarHBondContact O-N 3Å
821	S	80.9	Confident	74.8	Confident	61 Å²	61	99.2 Å²	99.2	43%	0.427	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-45.4	175.7	-58.1	0	0	0	0	112	V817 R818 A819 L823 L824 E825	V817-S821 VanDerWaalsContact O-CB 3.27Å; V817-S821 WeakPolarHBondContact O-CB 3.38Å; V817-S821 PolarHBondContact O-N 2.84Å; V817-S821 PolarHBondContact O-OG 3.24Å; R818-S821 PolarHBondContact O-N 2.85Å; A819-S821 VanDerWaalsContact C-N 3.35Å; A819-S821 PolarHBondContact O-N 2.91Å; S821-L823 VanDerWaalsContact C-N 3.33Å; S821-L823 PolarHBondContact O-N 3.49Å; S821-L824 WeakPolarHBondContact O-CB 3.44Å; S821-L824 PolarHBondContact O-N 2.96Å; S821-E825 PolarHBondContact O-N 3.26Å
822	K	76	Confident	75.2	Confident	151 Å²	151	98.1 Å²	98.1	66%	0.657	47%	0.467	S	S	*	.	H	α-helix	trans	-64.5	-36.4	177.5	-169.8	178	-178.2	-176.9	0	112.2	R818 A819 K826	R818-K822 WeakPolarHBondContact O-CB 3.46Å; R818-K822 PolarHBondContact O-N 2.7Å; A819-K822 PolarHBondContact O-N 2.85Å; K822-K826 PolarHBondContact O-N 3.34Å; K822-K826 VanDerWaalsContact O-N 3.15Å
823	L	72.8	Confident	74.9	Confident	60 Å²	60	98.6 Å²	98.6	31%	0.314	47%	0.474	S	S	.	.	H	α-helix	trans	-68	-42.6	172.5	-178.1	61.5	0	0	0	111.6	A819 K820 S821 E825 K826 M827	A819-L823 WeakPolarHBondContact O-CB 3.46Å; A819-L823 PolarHBondContact O-N 3.18Å; K820-L823 PolarHBondContact O-N 2.95Å; S821-L823 VanDerWaalsContact C-N 3.33Å; S821-L823 PolarHBondContact O-N 3.49Å; L823-E825 PolarHBondContact O-N 3.29Å; L823-K826 WeakPolarHBondContact O-CB 3.49Å; L823-K826 PolarHBondContact O-N 3.31Å; L823-M827 HydrophobicContact CD1-CE 4.1Å; L823-M827 WeakPolarHBondContact O-CG 3.48Å; L823-M827 PolarHBondContact O-N 2.81Å
824	L	73.1	Confident	74.8	Confident	102 Å²	102	94.5 Å²	94.5	53%	0.534	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-43.3	176.2	-174.9	66.6	0	0	0	111.4	K820 S821 M827 Q828	K820-L824 VanDerWaalsContact O-CB 3.3Å; K820-L824 WeakPolarHBondContact O-CB 3.28Å; K820-L824 PolarHBondContact O-N 3Å; S821-L824 WeakPolarHBondContact O-CB 3.44Å; S821-L824 PolarHBondContact O-N 2.96Å; L824-M827 PolarHBondContact O-N 2.86Å; L824-Q828 WeakPolarHBondContact O-CB 3.32Å; L824-Q828 WeakPolarHBondContact O-CG 3.23Å; L824-Q828 PolarHBondContact O-N 2.61Å
825	E	78	Confident	75	Confident	102 Å²	102	93.7 Å²	93.7	48%	0.477	46%	0.455	S	S	.	.	H	α-helix	trans	-61.6	-43.4	173.3	-75.3	-171.9	-170	0	0	113.3	S821 L823 M827 Q828 R829	S821-E825 PolarHBondContact O-N 3.26Å; L823-E825 PolarHBondContact O-N 3.29Å; E825-M827 VanDerWaalsContact C-N 3.3Å; E825-M827 PolarHBondContact O-N 3.1Å; E825-Q828 PolarHBondContact O-N 2.67Å; E825-R829 WeakPolarHBondContact O-CB 3.41Å; E825-R829 WeakPolarHBondContact O-CG 3.49Å; E825-R829 PolarHBondContact O-N 3.38Å; E825-R829 PolarHBondContact O-NE 2.98Å; E825-R829 IonicContact OE2-CZ 3.83Å; E825-R829 IonicContact OE2-NH2 2.64Å; E825-R829 PolarHBondContact OE2-NH2 2.67Å
826	K	70.1	Confident	75	Confident	70 Å²	70	93.4 Å²	93.4	30%	0.304	46%	0.46	S	S	.	.	H	α-helix	trans	-56.6	-46.9	174.4	-89	-173.8	165.5	-167.8	0	110.1	D800 K822 L823 R829 K830	D800-K826 WeakPolarHBondContact OD1-CE 3.46Å; D800-K826 IonicContact OD1-NZ 3.75Å; D800-K826 PolarHBondContact OD1-NZ 3.34Å; K822-K826 PolarHBondContact O-N 3.34Å; K822-K826 VanDerWaalsContact O-N 3.15Å; L823-K826 WeakPolarHBondContact O-CB 3.49Å; L823-K826 PolarHBondContact O-N 3.31Å; K826-R829 PolarHBondContact O-N 2.66Å; K826-K830 PolarHBondContact O-N 3.18Å
827	M	71	Confident	75.1	Confident	79 Å²	79	96 Å²	96	39%	0.389	47%	0.472	S	S	.	.	H	α-helix	trans	-67.5	-41.7	179.2	-66.8	-57.9	-175.8	0	0	112.5	L823 L824 E825 R829 K830 L831	L823-M827 HydrophobicContact CD1-CE 4.1Å; L823-M827 WeakPolarHBondContact O-CG 3.48Å; L823-M827 PolarHBondContact O-N 2.81Å; L824-M827 PolarHBondContact O-N 2.86Å; E825-M827 VanDerWaalsContact C-N 3.3Å; E825-M827 PolarHBondContact O-N 3.1Å; M827-R829 VanDerWaalsContact C-N 3.26Å; M827-R829 PolarHBondContact O-N 2.85Å; M827-K830 PolarHBondContact O-N 3.47Å; M827-K830 HydrophobicContact SD-CD 4.48Å; M827-L831 VanDerWaalsContact O-CB 3.29Å; M827-L831 WeakPolarHBondContact O-CB 3.45Å; M827-L831 PolarHBondContact O-N 2.82Å
828	Q	77.3	Confident	75.1	Confident	89 Å²	89	96.4 Å²	96.4	42%	0.416	47%	0.47	S	S	.	.	H	α-helix	trans	-63.2	-29.6	173.4	-73.7	177.9	0.2	0	0	112.9	L824 E825 R832	L824-Q828 WeakPolarHBondContact O-CB 3.32Å; L824-Q828 WeakPolarHBondContact O-CG 3.23Å; L824-Q828 PolarHBondContact O-N 2.61Å; E825-Q828 PolarHBondContact O-N 2.67Å; Q828-R832 WeakPolarHBondContact O-CB 3.18Å; Q828-R832 WeakPolarHBondContact O-CG 3.33Å; Q828-R832 PolarHBondContact O-N 2.85Å; Q828-R832 PolarHBondContact O-NE 2.96Å
829	R	75.3	Confident	75.2	Confident	135 Å²	135	95.4 Å²	95.4	51%	0.509	47%	0.471	S	S	.	.	H	α-helix	trans	-73.1	-45.4	172.4	-80.3	177.9	-94.7	147.5	-14	111.6	E825 K826 M827 L831 R832 A833	E825-R829 WeakPolarHBondContact O-CB 3.41Å; E825-R829 WeakPolarHBondContact O-CG 3.49Å; E825-R829 PolarHBondContact O-N 3.38Å; E825-R829 PolarHBondContact O-NE 2.98Å; E825-R829 IonicContact OE2-CZ 3.83Å; E825-R829 IonicContact OE2-NH2 2.64Å; E825-R829 PolarHBondContact OE2-NH2 2.67Å; K826-R829 PolarHBondContact O-N 2.66Å; M827-R829 VanDerWaalsContact C-N 3.26Å; M827-R829 PolarHBondContact O-N 2.85Å; R829-L831 VanDerWaalsContact C-N 3.35Å; R829-L831 PolarHBondContact O-N 2.97Å; R829-R832 PolarHBondContact O-N 3.39Å; R829-A833 PolarHBondContact O-N 2.65Å; R829-A833 VanDerWaalsContact O-N 3.09Å
830	K	69.7	Low	75.3	Confident	105 Å²	105	96.3 Å²	96.3	46%	0.457	47%	0.471	S	S	.	.	H	α-helix	trans	-59.9	-42.9	173.7	-70.5	-175.4	-179.4	-176	0	111.9	K826 M827 A833 A834	K826-K830 PolarHBondContact O-N 3.18Å; M827-K830 PolarHBondContact O-N 3.47Å; M827-K830 HydrophobicContact SD-CD 4.48Å; K830-A833 PolarHBondContact O-N 2.62Å; K830-A834 PolarHBondContact O-N 3.1Å; K830-A834 VanDerWaalsContact O-N 3.09Å
831	L	75	Confident	75.3	Confident	102 Å²	102	95.2 Å²	95.2	53%	0.534	47%	0.471	S	S	.	.	H	α-helix	trans	-64.5	-48.6	179.4	-171.6	149.2	0	0	0	111.8	M827 R829 A833 A834 E835	M827-L831 VanDerWaalsContact O-CB 3.29Å; M827-L831 WeakPolarHBondContact O-CB 3.45Å; M827-L831 PolarHBondContact O-N 2.82Å; R829-L831 VanDerWaalsContact C-N 3.35Å; R829-L831 PolarHBondContact O-N 2.97Å; L831-A833 VanDerWaalsContact C-N 3.31Å; L831-A833 PolarHBondContact O-N 2.85Å; L831-A834 PolarHBondContact O-N 3.42Å; L831-A834 VanDerWaalsContact O-N 3.16Å; L831-E835 VanDerWaalsContact CD2-CD 3.41Å; L831-E835 HydrophobicContact CD2-CG 4.03Å; L831-E835 WeakPolarHBondContact CD2-OE1 3.43Å; L831-E835 WeakPolarHBondContact O-CG 3.49Å; L831-E835 PolarHBondContact O-N 3.15Å
832	R	79.8	Confident	75.2	Confident	135 Å²	135	97.8 Å²	97.8	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-62.2	-34.9	176.2	-78.5	176.4	-71.1	-159.6	-2.3	113.4	Q828 R829 E835 V836	Q828-R832 WeakPolarHBondContact O-CB 3.18Å; Q828-R832 WeakPolarHBondContact O-CG 3.33Å; Q828-R832 PolarHBondContact O-N 2.85Å; Q828-R832 PolarHBondContact O-NE 2.96Å; R829-R832 PolarHBondContact O-N 3.39Å; R832-E835 PolarHBondContact O-N 3.45Å; R832-V836 WeakPolarHBondContact O-CG2 3.39Å; R832-V836 PolarHBondContact O-N 3.24Å; R832-V836 VanDerWaalsContact O-N 3.09Å
833	A	72	Confident	75.3	Confident	62 Å²	62	93 Å²	93	51%	0.512	46%	0.461	S	S	.	.	H	α-helix	trans	-63.9	-44.5	173.9	0	0	0	0	0	111.5	R829 K830 L831 V836 E837	R829-A833 PolarHBondContact O-N 2.65Å; R829-A833 VanDerWaalsContact O-N 3.09Å; K830-A833 PolarHBondContact O-N 2.62Å; L831-A833 VanDerWaalsContact C-N 3.31Å; L831-A833 PolarHBondContact O-N 2.85Å; A833-V836 PolarHBondContact O-N 2.92Å; A833-E837 PolarHBondContact O-N 2.95Å
834	A	74.3	Confident	75.2	Confident	42 Å²	42	91.4 Å²	91.4	35%	0.347	45%	0.452	S	S	.	.	H	α-helix	trans	-66.6	-36	175.7	0	0	0	0	0	112.9	K830 L831 V836 E837 I838	K830-A834 PolarHBondContact O-N 3.1Å; K830-A834 VanDerWaalsContact O-N 3.09Å; L831-A834 PolarHBondContact O-N 3.42Å; L831-A834 VanDerWaalsContact O-N 3.16Å; A834-V836 VanDerWaalsContact C-N 3.35Å; A834-E837 PolarHBondContact O-N 3.38Å; A834-I838 WeakPolarHBondContact O-CB 3.45Å; A834-I838 WeakPolarHBondContact O-CD1 3.47Å; A834-I838 WeakPolarHBondContact O-CG1 3.45Å; A834-I838 PolarHBondContact O-N 3.34Å
835	E	79.1	Confident	75.5	Confident	113 Å²	113	93.2 Å²	93.2	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-62.2	-40.8	173.2	-72.9	176.3	141.4	0	0	112.1	L831 R832 K839	L831-E835 VanDerWaalsContact CD2-CD 3.41Å; L831-E835 HydrophobicContact CD2-CG 4.03Å; L831-E835 WeakPolarHBondContact CD2-OE1 3.43Å; L831-E835 WeakPolarHBondContact O-CG 3.49Å; L831-E835 PolarHBondContact O-N 3.15Å; R832-E835 PolarHBondContact O-N 3.45Å; E835-K839 WeakPolarHBondContact O-CB 3.49Å; E835-K839 PolarHBondContact O-N 2.7Å
836	V	76.3	Confident	75.5	Confident	87 Å²	87	93.9 Å²	93.9	53%	0.527	46%	0.459	S	S	.	.	H	α-helix	trans	-66.2	-46.1	174	171.8	0	0	0	0	110.9	R832 A833 A834 I838 K839 D840	R832-V836 WeakPolarHBondContact O-CG2 3.39Å; R832-V836 PolarHBondContact O-N 3.24Å; R832-V836 VanDerWaalsContact O-N 3.09Å; A833-V836 PolarHBondContact O-N 2.92Å; A834-V836 VanDerWaalsContact C-N 3.35Å; V836-I838 VanDerWaalsContact C-N 3.35Å; V836-I838 PolarHBondContact O-N 3.32Å; V836-K839 PolarHBondContact O-N 3.07Å; V836-D840 WeakPolarHBondContact O-CB 3.18Å; V836-D840 PolarHBondContact O-N 3.11Å
837	E	74.5	Confident	75.8	Confident	116 Å²	116	96.1 Å²	96.1	54%	0.542	47%	0.474	S	S	.	.	H	α-helix	trans	-58.9	-43.9	176.6	-174.6	177.4	-171.5	0	0	112	A833 A834 K839 D840 L841	A833-E837 PolarHBondContact O-N 2.95Å; A834-E837 PolarHBondContact O-N 3.38Å; E837-K839 PolarHBondContact O-N 2.75Å; E837-D840 PolarHBondContact O-N 3.1Å; E837-L841 HydrophobicContact CG-CD1 4.05Å; E837-L841 WeakPolarHBondContact O-CB 3.49Å; E837-L841 VanDerWaalsContact O-CG 3.25Å; E837-L841 WeakPolarHBondContact O-CG 3.47Å; E837-L841 PolarHBondContact O-N 2.93Å
838	I	77.3	Confident	75.9	Confident	92 Å²	92	96.2 Å²	96.2	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176	-71	165	0	0	0	111.1	A834 V836 Q842	A834-I838 WeakPolarHBondContact O-CB 3.45Å; A834-I838 WeakPolarHBondContact O-CD1 3.47Å; A834-I838 WeakPolarHBondContact O-CG1 3.45Å; A834-I838 PolarHBondContact O-N 3.34Å; V836-I838 VanDerWaalsContact C-N 3.35Å; V836-I838 PolarHBondContact O-N 3.32Å; I838-Q842 WeakPolarHBondContact O-CB 3.15Å; I838-Q842 VanDerWaalsContact O-CG 3.25Å; I838-Q842 WeakPolarHBondContact O-CG 3.28Å; I838-Q842 PolarHBondContact O-N 3.04Å
839	K	79.8	Confident	76.3	Confident	151 Å²	151	97.7 Å²	97.7	66%	0.657	48%	0.478	S	S	*	.	H	α-helix	trans	-64.5	-43.3	177.8	-174.7	-172.9	175.5	-167	0	111.6	E835 V836 E837 Q842 S843	E835-K839 WeakPolarHBondContact O-CB 3.49Å; E835-K839 PolarHBondContact O-N 2.7Å; V836-K839 PolarHBondContact O-N 3.07Å; E837-K839 PolarHBondContact O-N 2.75Å; K839-Q842 PolarHBondContact O-N 2.89Å; K839-S843 PolarHBondContact O-N 3.35Å
840	D	74.8	Confident	76.6	Confident	52 Å²	52	96.3 Å²	96.3	28%	0.278	48%	0.48	S	S	.	.	H	α-helix	trans	-60.1	-53.1	175.3	-92.5	25.5	0	0	0	110.7	K50 V836 E837 Q842 S843 E844	K50-D840 IonicContact NZ-OD2 2.72Å; K50-D840 PolarHBondContact NZ-OD2 2.84Å; V836-D840 WeakPolarHBondContact O-CB 3.18Å; V836-D840 PolarHBondContact O-N 3.11Å; E837-D840 PolarHBondContact O-N 3.1Å; D840-Q842 VanDerWaalsContact C-N 3.28Å; D840-Q842 PolarHBondContact O-N 3.42Å; D840-S843 WeakPolarHBondContact O-CB 3.42Å; D840-S843 PolarHBondContact O-N 3.09Å; D840-S843 PolarHBondContact O-OG 3.38Å; D840-E844 WeakPolarHBondContact O-CG 3.37Å; D840-E844 PolarHBondContact O-N 3.48Å
841	L	74.9	Confident	76.9	Confident	94 Å²	94	96.3 Å²	96.3	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-58	-37.8	177.6	-71.2	169.7	0	0	0	112.6	E837 F845	E837-L841 HydrophobicContact CG-CD1 4.05Å; E837-L841 WeakPolarHBondContact O-CB 3.49Å; E837-L841 VanDerWaalsContact O-CG 3.25Å; E837-L841 WeakPolarHBondContact O-CG 3.47Å; E837-L841 PolarHBondContact O-N 2.93Å; L841-F845 WeakPolarHBondContact O-CB 3.34Å; L841-F845 PolarHBondContact O-N 2.63Å
842	Q	78.3	Confident	77.3	Confident	115 Å²	115	98.4 Å²	98.4	54%	0.537	49%	0.487	S	S	.	.	H	α-helix	trans	-67.5	-38	173.9	-75.3	178	16	0	0	112.6	I838 K839 D840 Q846	I838-Q842 WeakPolarHBondContact O-CB 3.15Å; I838-Q842 VanDerWaalsContact O-CG 3.25Å; I838-Q842 WeakPolarHBondContact O-CG 3.28Å; I838-Q842 PolarHBondContact O-N 3.04Å; K839-Q842 PolarHBondContact O-N 2.89Å; D840-Q842 VanDerWaalsContact C-N 3.28Å; D840-Q842 PolarHBondContact O-N 3.42Å; Q842-Q846 VanDerWaalsContact O-CG 3.29Å; Q842-Q846 WeakPolarHBondContact O-CG 3.33Å; Q842-Q846 PolarHBondContact O-N 2.87Å
843	S	77.3	Confident	77.4	Confident	49 Å²	49	95.4 Å²	95.4	34%	0.343	48%	0.48	S	S	.	.	H	α-helix	trans	-67.9	-39.9	175.5	78.4	0	0	0	0	111.9	K839 D840 Q846 L847	K839-S843 PolarHBondContact O-N 3.35Å; D840-S843 WeakPolarHBondContact O-CB 3.42Å; D840-S843 PolarHBondContact O-N 3.09Å; D840-S843 PolarHBondContact O-OG 3.38Å; S843-Q846 PolarHBondContact O-N 2.72Å; S843-L847 WeakPolarHBondContact O-CG 3.5Å; S843-L847 PolarHBondContact O-N 3.37Å
844	E	72.3	Confident	77.9	Confident	27 Å²	27	94.9 Å²	94.9	13%	0.126	48%	0.476	C	S	.	.	H	α-helix	trans	-64	-44.8	176.3	-69	179.4	-172.2	0	0	111.1	K50 R327 D840 Q846 L847 E848	K50-E844 IonicContact NZ-OE1 3.7Å; R327-E844 WeakPolarHBondContact CD-OE2 3.31Å; R327-E844 IonicContact CZ-OE1 3.28Å; R327-E844 VanDerWaalsContact CZ-OE1 3.24Å; R327-E844 IonicContact CZ-OE2 2.62Å; R327-E844 IonicContact NE-OE1 3.14Å; R327-E844 PolarHBondContact NE-OE1 3.06Å; R327-E844 VanDerWaalsContact NE-OE1 3.07Å; R327-E844 IonicContact NE-OE2 2.65Å; R327-E844 PolarHBondContact NE-OE2 3.03Å; R327-E844 IonicContact NH2-OE1 3.62Å; R327-E844 PolarHBondContact NH2-OE1 2.78Å; R327-E844 IonicContact NH2-OE2 2.66Å; D840-E844 WeakPolarHBondContact O-CG 3.37Å; D840-E844 PolarHBondContact O-N 3.48Å; E844-Q846 VanDerWaalsContact C-N 3.31Å; E844-Q846 PolarHBondContact O-N 2.73Å; E844-L847 PolarHBondContact O-N 3.41Å; E844-E848 PolarHBondContact O-N 3.15Å
845	F	78.8	Confident	78.3	Confident	141 Å²	141	95.8 Å²	95.8	62%	0.618	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-33.9	174.6	-176.8	-103.5	0	0	0	112.9	L841 K849	L841-F845 WeakPolarHBondContact O-CB 3.34Å; L841-F845 PolarHBondContact O-N 2.63Å; F845-K849 WeakPolarHBondContact O-CB 3.46Å; F845-K849 PolarHBondContact O-N 2.99Å
846	Q	77.2	Confident	78.6	Confident	116 Å²	116	94.1 Å²	94.1	54%	0.542	47%	0.471	S	S	.	.	H	α-helix	trans	-67.3	-41.1	172.8	-74.6	174.9	43.4	0	0	111.9	Q842 S843 E844 K849 I850	Q842-Q846 VanDerWaalsContact O-CG 3.29Å; Q842-Q846 WeakPolarHBondContact O-CG 3.33Å; Q842-Q846 PolarHBondContact O-N 2.87Å; S843-Q846 PolarHBondContact O-N 2.72Å; E844-Q846 VanDerWaalsContact C-N 3.31Å; E844-Q846 PolarHBondContact O-N 2.73Å; Q846-K849 PolarHBondContact O-N 3.19Å; Q846-I850 WeakPolarHBondContact O-CD1 3.2Å; Q846-I850 VanDerWaalsContact O-CG1 3.23Å; Q846-I850 WeakPolarHBondContact O-CG1 3.41Å; Q846-I850 PolarHBondContact O-N 2.66Å
847	L	76.4	Confident	79	Confident	117 Å²	117	97.3 Å²	97.3	61%	0.613	47%	0.474	S	S	*	.	H	α-helix	trans	-65.6	-47.1	176.1	-70.4	169.6	0	0	0	112	S843 E844 K849 I850 D851	S843-L847 WeakPolarHBondContact O-CG 3.5Å; S843-L847 PolarHBondContact O-N 3.37Å; E844-L847 PolarHBondContact O-N 3.41Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 3.26Å; L847-I850 PolarHBondContact O-N 3.43Å; L847-I850 VanDerWaalsContact O-N 3.16Å; L847-D851 PolarHBondContact O-N 2.97Å; L847-D851 VanDerWaalsContact O-N 3.07Å
848	E	74.5	Confident	79.4	Confident	81 Å²	81	100.1 Å²	100.1	38%	0.379	48%	0.479	S	S	.	.	H	α-helix	trans	-56.7	-45.5	173.6	-71.9	-176.3	-175.2	0	0	110.5	R331 E844 I850 D851 Y852	R331-E848 IonicContact NH2-OE1 3.78Å; R331-E848 PolarHBondContact NH2-OE1 3.1Å; E844-E848 PolarHBondContact O-N 3.15Å; E848-I850 PolarHBondContact O-N 3.2Å; E848-D851 PolarHBondContact O-N 2.65Å; E848-Y852 HydrophobicContact CB-CE2 4.37Å; E848-Y852 WeakPolarHBondContact O-CD2 3.29Å; E848-Y852 PolarHBondContact O-N 3.29Å
849	K	84.7	Confident	79.7	Confident	120 Å²	120	101.7 Å²	101.7	52%	0.522	49%	0.485	S	S	.	.	H	α-helix	trans	-61.6	-37.3	176.3	-179	-179.3	176	-175.2	0	113.4	F845 Q846 L847 L853	F845-K849 WeakPolarHBondContact O-CB 3.46Å; F845-K849 PolarHBondContact O-N 2.99Å; Q846-K849 PolarHBondContact O-N 3.19Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 3.26Å; K849-L853 HydrophobicContact CG-CD1 4.1Å; K849-L853 WeakPolarHBondContact O-CB 3.48Å; K849-L853 VanDerWaalsContact O-CG 3.27Å; K849-L853 WeakPolarHBondContact O-CG 3.11Å; K849-L853 PolarHBondContact O-N 2.55Å
850	I	80.8	Confident	80.1	Confident	105 Å²	105	99.7 Å²	99.7	54%	0.538	48%	0.478	S	S	.	.	H	α-helix	trans	-66.5	-41.8	177	-73.1	162.2	0	0	0	110.6	Q846 L847 E848 L853 A854	Q846-I850 WeakPolarHBondContact O-CD1 3.2Å; Q846-I850 VanDerWaalsContact O-CG1 3.23Å; Q846-I850 WeakPolarHBondContact O-CG1 3.41Å; Q846-I850 PolarHBondContact O-N 2.66Å; L847-I850 PolarHBondContact O-N 3.43Å; L847-I850 VanDerWaalsContact O-N 3.16Å; E848-I850 PolarHBondContact O-N 3.2Å; I850-L853 PolarHBondContact O-N 3.39Å; I850-A854 WeakPolarHBondContact O-CB 3.43Å; I850-A854 PolarHBondContact O-N 3.44Å
851	D	77	Confident	80.5	Confident	106 Å²	106	101.3 Å²	101.3	57%	0.567	48%	0.48	S	S	*	.	H	α-helix	trans	-66.6	-41.3	178.6	-166.2	40.3	0	0	0	112.2	L847 E848 A854 T855	L847-D851 PolarHBondContact O-N 2.97Å; L847-D851 VanDerWaalsContact O-N 3.07Å; E848-D851 PolarHBondContact O-N 2.65Å; D851-A854 PolarHBondContact O-N 3.01Å; D851-T855 WeakPolarHBondContact O-CB 3.26Å; D851-T855 PolarHBondContact O-N 3.25Å; D851-T855 PolarHBondContact O-OG1 3.46Å
852	Y	82.8	Confident	80.9	Confident	146 Å²	146	98.7 Å²	98.7	57%	0.573	47%	0.466	S	S	*	.	H	α-helix	trans	-60.3	-44.9	170.6	-73.1	-59.3	0	0	0	112.1	E848 T855 I856	E848-Y852 HydrophobicContact CB-CE2 4.37Å; E848-Y852 WeakPolarHBondContact O-CD2 3.29Å; E848-Y852 PolarHBondContact O-N 3.29Å; Y852-T855 PolarHBondContact O-N 2.94Å; Y852-I856 VanDerWaalsContact O-CG1 3.3Å; Y852-I856 WeakPolarHBondContact O-CG1 3.34Å; Y852-I856 PolarHBondContact O-N 3.13Å
853	L	83.3	Confident	81.2	Confident	72 Å²	72	96.7 Å²	96.7	38%	0.377	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-35.2	177.8	-73.9	170.5	0	0	0	112.7	K849 I850 R857	K849-L853 HydrophobicContact CG-CD1 4.1Å; K849-L853 WeakPolarHBondContact O-CB 3.48Å; K849-L853 VanDerWaalsContact O-CG 3.27Å; K849-L853 WeakPolarHBondContact O-CG 3.11Å; K849-L853 PolarHBondContact O-N 2.55Å; I850-L853 PolarHBondContact O-N 3.39Å; L853-R857 WeakPolarHBondContact O-CB 3.47Å; L853-R857 WeakPolarHBondContact O-CD 3.39Å; L853-R857 WeakPolarHBondContact O-CG 3.45Å; L853-R857 PolarHBondContact O-N 3.48Å
854	A	82	Confident	81.6	Confident	50 Å²	50	98 Å²	98	41%	0.413	47%	0.466	S	S	.	.	H	α-helix	trans	-66.1	-41.2	173.2	0	0	0	0	0	111.5	I850 D851 R858	I850-A854 WeakPolarHBondContact O-CB 3.43Å; I850-A854 PolarHBondContact O-N 3.44Å; D851-A854 PolarHBondContact O-N 3.01Å; A854-R858 WeakPolarHBondContact O-CB 3.38Å; A854-R858 PolarHBondContact O-N 3.14Å
855	T	82.8	Confident	82.1	Confident	61 Å²	61	96.7 Å²	96.7	37%	0.374	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-45.9	176	-62.1	0	0	0	0	111.8	D851 Y852 R858 Q859	D851-T855 WeakPolarHBondContact O-CB 3.26Å; D851-T855 PolarHBondContact O-N 3.25Å; D851-T855 PolarHBondContact O-OG1 3.46Å; Y852-T855 PolarHBondContact O-N 2.94Å; T855-R858 PolarHBondContact O-N 2.92Å; T855-Q859 WeakPolarHBondContact O-CG 3.13Å; T855-Q859 PolarHBondContact O-N 2.94Å
856	I	84.2	Confident	82.3	Confident	79 Å²	79	94.8 Å²	94.8	41%	0.405	45%	0.452	S	S	.	.	H	α-helix	trans	-60.5	-52.1	175.8	-69.2	163.4	0	0	0	110.3	Y852 R858 Q859 E860	Y852-I856 VanDerWaalsContact O-CG1 3.3Å; Y852-I856 WeakPolarHBondContact O-CG1 3.34Å; Y852-I856 PolarHBondContact O-N 3.13Å; I856-R858 PolarHBondContact O-N 3.29Å; I856-Q859 WeakPolarHBondContact O-CB 3.02Å; I856-Q859 PolarHBondContact O-N 3.07Å; I856-E860 HydrophobicContact CG2-CG 4.24Å; I856-E860 WeakPolarHBondContact O-CG 3.39Å; I856-E860 PolarHBondContact O-N 2.82Å
857	R	84.8	Confident	82.6	Confident	153 Å²	153	94.2 Å²	94.2	58%	0.577	45%	0.449	S	S	*	.	H	α-helix	trans	-57	-36.4	178.1	-74.5	167.7	177	176.4	-2.4	113	L853 E860 R861	L853-R857 WeakPolarHBondContact O-CB 3.47Å; L853-R857 WeakPolarHBondContact O-CD 3.39Å; L853-R857 WeakPolarHBondContact O-CG 3.45Å; L853-R857 PolarHBondContact O-N 3.48Å; R857-E860 WeakPolarHBondContact CA-OE2 3.08Å; R857-R861 WeakPolarHBondContact O-CB 3.42Å; R857-R861 VanDerWaalsContact O-CG 3.28Å; R857-R861 WeakPolarHBondContact O-CG 3.34Å; R857-R861 PolarHBondContact O-N 3.32Å
858	R	83.9	Confident	82.8	Confident	175 Å²	175	90.6 Å²	90.6	66%	0.66	43%	0.43	S	S	*	.	H	α-helix	trans	-66.1	-45.5	174.5	179.2	-178.8	171.2	178.9	1.1	111.5	A854 T855 I856 E860 R861 D862	A854-R858 WeakPolarHBondContact O-CB 3.38Å; A854-R858 PolarHBondContact O-N 3.14Å; T855-R858 PolarHBondContact O-N 2.92Å; I856-R858 PolarHBondContact O-N 3.29Å; R858-E860 VanDerWaalsContact C-N 3.34Å; R858-R861 PolarHBondContact O-N 3.36Å; R858-D862 IonicContact NE-OD2 2.66Å; R858-D862 PolarHBondContact O-N 2.95Å
859	Q	84.1	Confident	82.9	Confident	125 Å²	125	87.4 Å²	87.4	58%	0.584	42%	0.415	S	S	*	.	H	α-helix	trans	-64.9	-37.8	177.6	-70.1	172.6	-4.8	0	0	111.9	T855 I856 S863	T855-Q859 WeakPolarHBondContact O-CG 3.13Å; T855-Q859 PolarHBondContact O-N 2.94Å; I856-Q859 WeakPolarHBondContact O-CB 3.02Å; I856-Q859 PolarHBondContact O-N 3.07Å; Q859-S863 VanDerWaalsContact O-CB 3.28Å; Q859-S863 WeakPolarHBondContact O-CB 3.07Å; Q859-S863 PolarHBondContact O-N 2.95Å
860	E	86.6	Confident	82.4	Confident	110 Å²	110	87 Å²	87	51%	0.514	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-49.1	171.5	-69.6	170.3	154	0	0	111.1	I856 R857 R858 S863 M864	I856-E860 HydrophobicContact CG2-CG 4.24Å; I856-E860 WeakPolarHBondContact O-CG 3.39Å; I856-E860 PolarHBondContact O-N 2.82Å; R857-E860 WeakPolarHBondContact CA-OE2 3.08Å; R858-E860 VanDerWaalsContact C-N 3.34Å; E860-S863 WeakPolarHBondContact O-CB 3.2Å; E860-S863 PolarHBondContact O-N 3.13Å; E860-M864 WeakPolarHBondContact O-CG 3.12Å; E860-M864 PolarHBondContact O-N 2.91Å
861	R	84.1	Confident	82.1	Confident	86 Å²	86	87.6 Å²	87.6	33%	0.325	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-49.1	175.1	-73	175.9	-171.7	-159.6	-2.5	112.3	R857 R858 S863 M864 L865 W895 E897 W902	R857-R861 WeakPolarHBondContact O-CB 3.42Å; R857-R861 VanDerWaalsContact O-CG 3.28Å; R857-R861 WeakPolarHBondContact O-CG 3.34Å; R857-R861 PolarHBondContact O-N 3.32Å; R858-R861 PolarHBondContact O-N 3.36Å; R861-S863 VanDerWaalsContact C-N 3.29Å; R861-S863 PolarHBondContact O-N 2.71Å; R861-M864 PolarHBondContact O-N 3.34Å; R861-L865 PolarHBondContact O-N 3.2Å; R861-W895 HydrophobicContact CB-CE3 4.46Å; R861-W895 HydrophobicContact CG-CD2 3.95Å; R861-W895 HydrophobicContact CG-CE3 4.11Å; R861-W895 HydrophobicContact CG-CH2 4.04Å; R861-W895 HydrophobicContact CG-CZ2 3.91Å; R861-W895 HydrophobicContact CG-CZ3 4.14Å; R861-W895 VanDerWaalsContact NH1-CD1 3.34Å; R861-E897 IonicContact CZ-OE1 3.56Å; R861-E897 IonicContact NH1-OE1 3.4Å; R861-E897 PolarHBondContact NH1-OE1 2.92Å; R861-E897 IonicContact NH2-OE1 2.77Å; R861-E897 PolarHBondContact NH2-OE1 3.45Å; R861-W902 HydrophobicContact CB-CZ2 4.19Å; R861-W902 PolarHBondContact O-NE1 2.92Å
862	D	83.6	Confident	81.7	Confident	38 Å²	38	86.5 Å²	86.5	20%	0.203	41%	0.41	C	S	.	.	H	α-helix	trans	-59	-40.8	176.6	-90.3	-54	0	0	0	110.7	R858 L865 F866 R890	R858-D862 IonicContact NE-OD2 2.66Å; R858-D862 PolarHBondContact O-N 2.95Å; D862-L865 WeakPolarHBondContact O-CB 3.45Å; D862-L865 PolarHBondContact O-N 3.4Å; D862-F866 HydrophobicContact CB-CE2 4.43Å; D862-F866 WeakPolarHBondContact O-CD2 3.19Å; D862-F866 PolarHBondContact O-N 2.83Å; D862-R890 IonicContact OD1-NH2 3.95Å; D862-R890 PolarHBondContact OD1-NH2 2.74Å
863	S	83.9	Confident	80.9	Confident	73 Å²	73	80.4 Å²	80.4	51%	0.51	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-44.7	175.4	-167.8	0	0	0	0	112.5	Q859 E860 R861 L865 F866 Q867	Q859-S863 VanDerWaalsContact O-CB 3.28Å; Q859-S863 WeakPolarHBondContact O-CB 3.07Å; Q859-S863 PolarHBondContact O-N 2.95Å; E860-S863 WeakPolarHBondContact O-CB 3.2Å; E860-S863 PolarHBondContact O-N 3.13Å; R861-S863 VanDerWaalsContact C-N 3.29Å; R861-S863 PolarHBondContact O-N 2.71Å; S863-L865 VanDerWaalsContact C-N 3.28Å; S863-L865 PolarHBondContact O-N 3.32Å; S863-F866 PolarHBondContact O-N 3.13Å; S863-F866 VanDerWaalsContact O-N 3.16Å; S863-Q867 PolarHBondContact O-N 3.22Å
864	M	85.2	Confident	79.9	Confident	76 Å²	76	82.6 Å²	82.6	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-32.2	175.8	-69.3	176.7	74.9	0	0	112.7	E860 R861 Q868 W895 G900	E860-M864 WeakPolarHBondContact O-CG 3.12Å; E860-M864 PolarHBondContact O-N 2.91Å; R861-M864 PolarHBondContact O-N 3.34Å; M864-Q868 WeakPolarHBondContact O-CB 3.08Å; M864-Q868 WeakPolarHBondContact O-CG 3.28Å; M864-Q868 PolarHBondContact O-N 3.44Å; M864-W895 HydrophobicContact CB-CZ3 4.49Å; M864-W895 HydrophobicContact CE-CH2 4.11Å; M864-W895 HydrophobicContact CE-CZ3 4.28Å; M864-W895 HydrophobicContact SD-CH2 3.91Å; M864-W895 HydrophobicContact SD-CZ3 4.16Å; M864-G900 WeakPolarHBondContact CE-O 3.25Å
865	L	83.2	Confident	79	Confident	1 Å²	1	85 Å²	85	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-65	-46	173.1	-176.1	53.7	0	0	0	111.1	R861 D862 S863 Q868 L869 R890 W902 I904	R861-L865 PolarHBondContact O-N 3.2Å; D862-L865 WeakPolarHBondContact O-CB 3.45Å; D862-L865 PolarHBondContact O-N 3.4Å; S863-L865 VanDerWaalsContact C-N 3.28Å; S863-L865 PolarHBondContact O-N 3.32Å; L865-Q868 PolarHBondContact O-N 2.93Å; L865-L869 HydrophobicContact CD1-CD1 4.09Å; L865-L869 HydrophobicContact CD1-CG 4.14Å; L865-L869 HydrophobicContact CG-CD1 3.92Å; L865-L869 HydrophobicContact CG-CG 4.42Å; L865-L869 WeakPolarHBondContact O-CB 3.38Å; L865-L869 VanDerWaalsContact O-CG 3.23Å; L865-L869 WeakPolarHBondContact O-CG 3.41Å; L865-L869 PolarHBondContact O-N 3.32Å; L865-R890 HydrophobicContact CD2-CG 4.01Å; L865-W902 HydrophobicContact CB-CD2 4.05Å; L865-W902 HydrophobicContact CB-CG 4.1Å; L865-W902 HydrophobicContact CB-CZ2 4.17Å; L865-W902 HydrophobicContact CD1-CB 3.95Å; L865-W902 HydrophobicContact CD1-CD2 3.83Å; L865-W902 HydrophobicContact CD1-CE3 4.13Å; L865-W902 HydrophobicContact CD1-CG 3.74Å; L865-W902 HydrophobicContact CD2-CD2 4.27Å; L865-W902 HydrophobicContact CD2-CE3 4.26Å; L865-W902 HydrophobicContact CD2-CH2 4.21Å; L865-W902 HydrophobicContact CD2-CZ2 4.21Å; L865-W902 HydrophobicContact CD2-CZ3 4.24Å; L865-W902 HydrophobicContact CG-CD2 4.25Å; L865-W902 HydrophobicContact CG-CG 4.42Å; L865-I904 HydrophobicContact CD1-CD1 4.49Å; L865-I904 HydrophobicContact CD1-CG1 4.48Å
866	F	83.3	Confident	77.9	Confident	100 Å²	100	85.2 Å²	85.2	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-65.4	-38.5	178	-63.2	-55	0	0	0	112.1	D862 S863 L870	D862-F866 HydrophobicContact CB-CE2 4.43Å; D862-F866 WeakPolarHBondContact O-CD2 3.19Å; D862-F866 PolarHBondContact O-N 2.83Å; S863-F866 PolarHBondContact O-N 3.13Å; S863-F866 VanDerWaalsContact O-N 3.16Å; F866-L870 VanDerWaalsContact O-CG 3.29Å; F866-L870 WeakPolarHBondContact O-CG 3.47Å; F866-L870 PolarHBondContact O-N 2.89Å
867	Q	83.9	Confident	76.6	Confident	104 Å²	104	88.1 Å²	88.1	49%	0.486	42%	0.421	S	S	.	.	H	α-helix	trans	-58.9	-51.2	173.5	-171.1	71.5	30.7	0	0	111.5	S863 L870 E871	S863-Q867 PolarHBondContact O-N 3.22Å; Q867-L870 PolarHBondContact O-N 2.94Å; Q867-E871 WeakPolarHBondContact CG-OE1 3.31Å; Q867-E871 PolarHBondContact NE2-OE1 3.35Å; Q867-E871 WeakPolarHBondContact O-CG 3.43Å; Q867-E871 PolarHBondContact O-N 3.49Å
868	Q	79.5	Confident	75.2	Confident	42 Å²	42	90 Å²	90	20%	0.196	43%	0.428	C	S	.	.	H	α-helix	trans	-70.2	-33.3	-178.6	-70.5	-178.8	-21	0	0	112.9	M864 L865 Q872 I904	M864-Q868 WeakPolarHBondContact O-CB 3.08Å; M864-Q868 WeakPolarHBondContact O-CG 3.28Å; M864-Q868 PolarHBondContact O-N 3.44Å; L865-Q868 PolarHBondContact O-N 2.93Å; Q868-Q872 WeakPolarHBondContact O-CB 3.44Å; Q868-Q872 WeakPolarHBondContact O-CG 3.46Å; Q868-Q872 PolarHBondContact O-N 2.87Å; Q868-I904 HydrophobicContact CB-CD1 3.78Å
869	L	76.3	Confident	73.9	Confident	14 Å²	14	93.1 Å²	93.1	7%	0.073	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-41.1	170.7	-76.3	170.5	0	0	0	111.9	L865 V873 L886 I889 I904	L865-L869 HydrophobicContact CD1-CD1 4.09Å; L865-L869 HydrophobicContact CD1-CG 4.14Å; L865-L869 HydrophobicContact CG-CD1 3.92Å; L865-L869 HydrophobicContact CG-CG 4.42Å; L865-L869 WeakPolarHBondContact O-CB 3.38Å; L865-L869 VanDerWaalsContact O-CG 3.23Å; L865-L869 WeakPolarHBondContact O-CG 3.41Å; L865-L869 PolarHBondContact O-N 3.32Å; L869-V873 HydrophobicContact CD2-CG2 4.25Å; L869-V873 WeakPolarHBondContact O-CB 3.02Å; L869-V873 VanDerWaalsContact O-CG2 3.29Å; L869-V873 WeakPolarHBondContact O-CG2 3.46Å; L869-V873 PolarHBondContact O-N 2.86Å; L869-L886 HydrophobicContact CD2-CD2 4.41Å; L869-I889 HydrophobicContact CD2-CB 4.13Å; L869-I889 HydrophobicContact CD2-CD1 4.18Å; L869-I889 HydrophobicContact CD2-CG2 3.58Å; L869-I904 HydrophobicContact CD2-CD1 4.29Å; L869-I904 HydrophobicContact CG-CD1 4.43Å
870	L	75	Confident	72.6	Confident	112 Å²	112	91.7 Å²	91.7	59%	0.586	44%	0.436	S	S	*	.	H	α-helix	trans	-63.1	-51.1	175.3	-73.4	165.7	0	0	0	110.8	F866 Q867 Q872 Q874	F866-L870 VanDerWaalsContact O-CG 3.29Å; F866-L870 WeakPolarHBondContact O-CG 3.47Å; F866-L870 PolarHBondContact O-N 2.89Å; Q867-L870 PolarHBondContact O-N 2.94Å; L870-Q872 PolarHBondContact O-N 2.87Å; L870-Q874 WeakPolarHBondContact O-CB 3.4Å; L870-Q874 PolarHBondContact O-N 3.44Å; L870-Q874 VanDerWaalsContact O-N 3.16Å
871	E	74.1	Confident	71.4	Confident	117 Å²	117	87 Å²	87	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-64.7	-39.9	-176.7	-71.3	170.6	-166.2	0	0	113.5	Q867 P875	Q867-E871 WeakPolarHBondContact CG-OE1 3.31Å; Q867-E871 PolarHBondContact NE2-OE1 3.35Å; Q867-E871 WeakPolarHBondContact O-CG 3.43Å; Q867-E871 PolarHBondContact O-N 3.49Å; E871-P875 WeakPolarHBondContact O-CD 3.33Å
872	Q	70.1	Confident	70.6	Confident	82 Å²	82	85.1 Å²	85.1	38%	0.383	41%	0.412	S	S	.	.	H	α-helix	trans	-86.8	-33.7	-177.8	-65.2	-174.6	1.2	0	0	114.1	Q868 L870	Q868-Q872 WeakPolarHBondContact O-CB 3.44Å; Q868-Q872 WeakPolarHBondContact O-CG 3.46Å; Q868-Q872 PolarHBondContact O-N 2.87Å; L870-Q872 PolarHBondContact O-N 2.87Å
873	V	65.5	Low	69.8	Low	18 Å²	18	84.1 Å²	84.1	11%	0.109	41%	0.405	C	S	.	.	H	α-helix	trans	-88.5	-30.8	-174.7	-177.2	0	0	0	0	112.4	L869 L876 I877 Y883 I889	L869-V873 HydrophobicContact CD2-CG2 4.25Å; L869-V873 WeakPolarHBondContact O-CB 3.02Å; L869-V873 VanDerWaalsContact O-CG2 3.29Å; L869-V873 WeakPolarHBondContact O-CG2 3.46Å; L869-V873 PolarHBondContact O-N 2.86Å; V873-L876 PolarHBondContact O-N 3.15Å; V873-I877 WeakPolarHBondContact O-CG1 3.46Å; V873-Y883 HydrophobicContact CG2-CD1 4.26Å; V873-Y883 HydrophobicContact CG2-CG 4.18Å; V873-I889 HydrophobicContact CG2-CD1 4.12Å
874	Q	62.3	Low	68.9	Low	118 Å²	118	85.3 Å²	85.3	55%	0.551	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-56.9	-38.6	-178.9	-171.8	177.7	28.1	0	0	114.1	L870 L876	L870-Q874 WeakPolarHBondContact O-CB 3.4Å; L870-Q874 PolarHBondContact O-N 3.44Å; L870-Q874 VanDerWaalsContact O-N 3.16Å; Q874-L876 VanDerWaalsContact C-N 3.31Å; Q874-L876 PolarHBondContact O-N 3.06Å
875	P	61.7	Low	68.1	Low	101 Å²	101	85 Å²	85	66%	0.656	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-73.8	-17.2	174.5	-17.8	32.9	0	0	0	114.5	E871	E871-P875 WeakPolarHBondContact O-CD 3.33Å
876	L	59.8	Low	67.5	Low	65 Å²	65	89.9 Å²	89.9	34%	0.34	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-112.4	24.2	-166	-65.7	177	0	0	0	113.8	V873 Q874 R878 Y883 P907	V873-L876 PolarHBondContact O-N 3.15Å; Q874-L876 VanDerWaalsContact C-N 3.31Å; Q874-L876 PolarHBondContact O-N 3.06Å; L876-R878 PolarHBondContact O-N 2.98Å; L876-Y883 HydrophobicContact CB-CD2 3.98Å; L876-Y883 HydrophobicContact CD1-CD2 3.88Å; L876-Y883 HydrophobicContact CD1-CE2 3.54Å; L876-P907 HydrophobicContact CD1-CB 4.14Å; L876-P907 HydrophobicContact CD1-CG 4.22Å
877	I	57.2	Low	66.9	Low	140 Å²	140	89.2 Å²	89.2	72%	0.718	44%	0.437	S	S	*	.			trans	-74.5	61.1	174.7	-45.5	178.8	0	0	0	111.2	V873	V873-I877 WeakPolarHBondContact O-CG1 3.46Å
878	R	55.7	Low	66.4	Low	193 Å²	193	88.7 Å²	88.7	73%	0.728	43%	0.433	S	S	*	.			trans	-103.2	147	158.7	-91.3	-174.6	164.3	143.8	-1.5	109.2	L876 D880	L876-R878 PolarHBondContact O-N 2.98Å; R878-D880 PolarHBondContact O-N 3.12Å; R878-D880 VanDerWaalsContact O-N 3.09Å
879	R	56.7	Low	66.2	Low	240 Å²	240	87 Å²	87	91%	0.906	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.4	177.7	-67.9	-177.8	175.8	171.8	-0.6	113.5
880	D	57.8	Low	66.2	Low	95 Å²	95	92.2 Å²	92.2	51%	0.508	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	10.5	-167.5	-31.7	-48.9	0	0	0	112.8	R878	R878-D880 PolarHBondContact O-N 3.12Å; R878-D880 VanDerWaalsContact O-N 3.09Å
881	C	60.9	Low	66.3	Low	12 Å²	12	93.8 Å²	93.8	8%	0.081	44%	0.442	C	S	.	.	B	Isolated β-bridge	trans	-127.1	155.3	-172.3	-157.2	0	0	0	0	112.7	Y883 S884 P907	C881-Y883 PolarHBondContact O-N 2.98Å; C881-S884 PolarHBondContact O-N 3.28Å; C881-S884 PolarHBondContact O-OG 2.86Å; C881-S884 VanDerWaalsContact O-OG 3.05Å; C881-P907 VanDerWaalsContact SG-CB 3.59Å
882	N	66.2	Low	66.5	Low	46 Å²	46	92.6 Å²	92.6	25%	0.246	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-60.2	-24.5	176	62.9	-16.1	0	0	0	114.5	S884 D906	N882-S884 PolarHBondContact O-N 3.01Å; N882-D906 PolarHBondContact ND2-O 3.47Å
883	Y	66.6	Low	67.1	Low	18 Å²	18	89.2 Å²	89.2	7%	0.071	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-67.6	1.7	-179.4	-63.2	-42.1	0	0	0	115.6	V873 L876 C881 N885 I889 I904 P905 P907	V873-Y883 HydrophobicContact CG2-CD1 4.26Å; V873-Y883 HydrophobicContact CG2-CG 4.18Å; L876-Y883 HydrophobicContact CB-CD2 3.98Å; L876-Y883 HydrophobicContact CD1-CD2 3.88Å; L876-Y883 HydrophobicContact CD1-CE2 3.54Å; C881-Y883 PolarHBondContact O-N 2.98Å; Y883-N885 PolarHBondContact O-N 3.29Å; Y883-N885 VanDerWaalsContact O-N 3.17Å; Y883-I889 HydrophobicContact CD1-CD1 3.58Å; Y883-I889 HydrophobicContact CD1-CG1 4.02Å; Y883-I889 HydrophobicContact CE1-CD1 4.44Å; Y883-I889 HydrophobicContact CG-CD1 4.32Å; Y883-I904 HydrophobicContact CE1-CG2 4.11Å; Y883-P905 VanDerWaalsContact CE1-O 3.25Å; Y883-P905 WeakPolarHBondContact CE1-O 3.42Å; Y883-P905 PolarHBondContact OH-O 3.19Å; Y883-P907 HydrophobicContact CD2-CB 4.31Å; Y883-P907 HydrophobicContact CE2-CB 3.67Å; Y883-P907 HydrophobicContact CE2-CG 4.24Å; Y883-P907 WeakPolarHBondContact OH-CD 3.27Å
884	S	65.3	Low	67.9	Low	98 Å²	98	91.3 Å²	91.3	69%	0.685	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-65.4	-7.8	173.7	49.5	0	0	0	0	115.3	C881 N882	C881-S884 PolarHBondContact O-N 3.28Å; C881-S884 PolarHBondContact O-OG 2.86Å; C881-S884 VanDerWaalsContact O-OG 3.05Å; N882-S884 PolarHBondContact O-N 3.01Å
885	N	68.4	Low	68.8	Low	68 Å²	68	88.3 Å²	88.3	36%	0.364	42%	0.421	S	S	.	.			trans	-133.7	96.9	176.5	-173.7	-20.3	0	0	0	112.9	Y883 E887 K888 I889	Y883-N885 PolarHBondContact O-N 3.29Å; Y883-N885 VanDerWaalsContact O-N 3.17Å; N885-E887 VanDerWaalsContact C-N 3.31Å; N885-E887 PolarHBondContact O-N 2.87Å; N885-E887 WeakPolarHBondContact OD1-CB 3.4Å; N885-E887 PolarHBondContact OD1-N 2.9Å; N885-E887 VanDerWaalsContact OD1-N 3.08Å; N885-K888 HydrophobicContact CB-CB 4.08Å; N885-K888 WeakPolarHBondContact O-CB 3.26Å; N885-K888 PolarHBondContact O-N 2.89Å; N885-K888 PolarHBondContact OD1-N 3.05Å; N885-I889 WeakPolarHBondContact O-CG1 3.36Å; N885-I889 PolarHBondContact O-N 3.13Å
886	L	70.5	Confident	69.7	Low	104 Å²	104	84.1 Å²	84.1	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-58	-34.4	179.2	-73.1	158.1	0	0	0	114	L869 K888 I889 R890	L869-L886 HydrophobicContact CD2-CD2 4.41Å; L886-K888 VanDerWaalsContact C-N 3.3Å; L886-K888 PolarHBondContact O-N 2.71Å; L886-I889 HydrophobicContact CD2-CD1 4.27Å; L886-I889 PolarHBondContact O-N 3.19Å; L886-R890 WeakPolarHBondContact O-CB 3.39Å; L886-R890 PolarHBondContact O-N 2.84Å
887	E	70.5	Confident	70.6	Confident	86 Å²	86	87.6 Å²	87.6	40%	0.402	41%	0.408	S	S	.	.	H	α-helix	trans	-71.5	-24	176.5	-61.2	-174.6	154.1	0	0	113.3	N885 R891 N956	N885-E887 VanDerWaalsContact C-N 3.31Å; N885-E887 PolarHBondContact O-N 2.87Å; N885-E887 WeakPolarHBondContact OD1-CB 3.4Å; N885-E887 PolarHBondContact OD1-N 2.9Å; N885-E887 VanDerWaalsContact OD1-N 3.08Å; E887-R891 PolarHBondContact O-NE 2.82Å; E887-R891 IonicContact OE2-NH2 3.9Å; E887-N956 PolarHBondContact OE2-ND2 3.18Å; E887-N956 PolarHBondContact OE2-OD1 3.21Å
888	K	73.9	Confident	71.6	Confident	93 Å²	93	88.1 Å²	88.1	40%	0.404	41%	0.412	S	S	.	.	H	α-helix	trans	-74.6	-48.4	172.6	-166.4	-176.4	-176	-101.1	0	109.4	N885 L886 R890 R891 E892	N885-K888 HydrophobicContact CB-CB 4.08Å; N885-K888 WeakPolarHBondContact O-CB 3.26Å; N885-K888 PolarHBondContact O-N 2.89Å; N885-K888 PolarHBondContact OD1-N 3.05Å; L886-K888 VanDerWaalsContact C-N 3.3Å; L886-K888 PolarHBondContact O-N 2.71Å; K888-R890 VanDerWaalsContact C-N 3.33Å; K888-R890 PolarHBondContact O-N 3.06Å; K888-R891 PolarHBondContact O-N 3.14Å; K888-E892 WeakPolarHBondContact CE-OE1 3.29Å; K888-E892 HydrophobicContact CG-CG 4.43Å; K888-E892 IonicContact NZ-OE1 2.89Å; K888-E892 PolarHBondContact NZ-OE1 2.72Å; K888-E892 IonicContact NZ-OE2 3.25Å; K888-E892 PolarHBondContact NZ-OE2 3Å; K888-E892 PolarHBondContact O-N 2.99Å
889	I	75.4	Confident	72.7	Confident	6 Å²	6	84 Å²	84	3%	0.031	41%	0.405	C	S	.	.	H	α-helix	trans	-57	-47.2	177.5	-48.7	163.4	0	0	0	110.2	L869 V873 Y883 N885 L886 R891 E892 S893 I904	L869-I889 HydrophobicContact CD2-CB 4.13Å; L869-I889 HydrophobicContact CD2-CD1 4.18Å; L869-I889 HydrophobicContact CD2-CG2 3.58Å; V873-I889 HydrophobicContact CG2-CD1 4.12Å; Y883-I889 HydrophobicContact CD1-CD1 3.58Å; Y883-I889 HydrophobicContact CD1-CG1 4.02Å; Y883-I889 HydrophobicContact CE1-CD1 4.44Å; Y883-I889 HydrophobicContact CG-CD1 4.32Å; N885-I889 WeakPolarHBondContact O-CG1 3.36Å; N885-I889 PolarHBondContact O-N 3.13Å; L886-I889 HydrophobicContact CD2-CD1 4.27Å; L886-I889 PolarHBondContact O-N 3.19Å; I889-R891 PolarHBondContact O-N 2.75Å; I889-R891 VanDerWaalsContact O-N 3.14Å; I889-E892 CarbonylContact O-C 3.58Å; I889-E892 PolarHBondContact O-N 3.12Å; I889-E892 VanDerWaalsContact O-N 3.11Å; I889-S893 VanDerWaalsContact O-CB 3.26Å; I889-S893 WeakPolarHBondContact O-CB 3.42Å; I889-S893 PolarHBondContact O-N 3.08Å; I889-S893 PolarHBondContact O-OG 3.29Å; I889-S893 VanDerWaalsContact O-OG 3.12Å; I889-I904 HydrophobicContact CG2-CG2 3.79Å
890	R	76.5	Confident	73.8	Confident	124 Å²	124	74 Å²	74	47%	0.468	38%	0.377	S	S	.	.	H	α-helix	trans	-61.6	-20.9	178.8	-174.9	167.8	-168	-156.2	4.9	114.5	D862 L865 L886 K888 S893	D862-R890 IonicContact OD1-NH2 3.95Å; D862-R890 PolarHBondContact OD1-NH2 2.74Å; L865-R890 HydrophobicContact CD2-CG 4.01Å; L886-R890 WeakPolarHBondContact O-CB 3.39Å; L886-R890 PolarHBondContact O-N 2.84Å; K888-R890 VanDerWaalsContact C-N 3.33Å; K888-R890 PolarHBondContact O-N 3.06Å; R890-S893 WeakPolarHBondContact CA-OG 3.46Å; R890-S893 PolarHBondContact O-OG 3.32Å
891	R	77.5	Confident	74.9	Confident	145 Å²	145	73.4 Å²	73.4	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-91.3	-30.8	174	-84.6	178.4	-76.9	-173	-14.6	113.3	E887 K888 I889 N956	E887-R891 PolarHBondContact O-NE 2.82Å; E887-R891 IonicContact OE2-NH2 3.9Å; K888-R891 PolarHBondContact O-N 3.14Å; I889-R891 PolarHBondContact O-N 2.75Å; I889-R891 VanDerWaalsContact O-N 3.14Å; R891-N956 PolarHBondContact NH2-ND2 2.94Å
892	E	78.8	Confident	75.9	Confident	93 Å²	93	74.6 Å²	74.6	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-88.3	-16.7	178.8	-65.7	-178.4	154.4	0	0	112.4	K888 I889 P905	K888-E892 WeakPolarHBondContact CE-OE1 3.29Å; K888-E892 HydrophobicContact CG-CG 4.43Å; K888-E892 IonicContact NZ-OE1 2.89Å; K888-E892 PolarHBondContact NZ-OE1 2.72Å; K888-E892 IonicContact NZ-OE2 3.25Å; K888-E892 PolarHBondContact NZ-OE2 3Å; K888-E892 PolarHBondContact O-N 2.99Å; I889-E892 CarbonylContact O-C 3.58Å; I889-E892 PolarHBondContact O-N 3.12Å; I889-E892 VanDerWaalsContact O-N 3.11Å; E892-P905 HydrophobicContact CB-CG 3.6Å
893	S	81.2	Confident	76.6	Confident	10 Å²	10	77.1 Å²	77.1	7%	0.07	38%	0.381	C	S	.	.			trans	-74	124.6	174.5	60.2	0	0	0	0	111.5	I889 R890 K903	I889-S893 VanDerWaalsContact O-CB 3.26Å; I889-S893 WeakPolarHBondContact O-CB 3.42Å; I889-S893 PolarHBondContact O-N 3.08Å; I889-S893 PolarHBondContact O-OG 3.29Å; I889-S893 VanDerWaalsContact O-OG 3.12Å; R890-S893 WeakPolarHBondContact CA-OG 3.46Å; R890-S893 PolarHBondContact O-OG 3.32Å; S893-K903 WeakPolarHBondContact CA-O 3.11Å
894	S	82.7	Confident	77.1	Confident	63 Å²	63	77.3 Å²	77.3	44%	0.441	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.3	176	48.1	0	0	0	0	111.1	W902 K903	S894-W902 VanDerWaalsContact C-CE3 3.45Å; S894-W902 CarbonylContact O-C 3.54Å; S894-W902 WeakPolarHBondContact O-CA 3.46Å; S894-K903 PolarHBondContact N-O 3.34Å; S894-K903 PolarHBondContact O-N 3.3Å
895	W	81.8	Confident	77.5	Confident	54 Å²	54	74.4 Å²	74.4	21%	0.205	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.9	175.1	172.6	-98.3	0	0	0	109.9	R861 M864 G900 W902	R861-W895 HydrophobicContact CB-CE3 4.46Å; R861-W895 HydrophobicContact CG-CD2 3.95Å; R861-W895 HydrophobicContact CG-CE3 4.11Å; R861-W895 HydrophobicContact CG-CH2 4.04Å; R861-W895 HydrophobicContact CG-CZ2 3.91Å; R861-W895 HydrophobicContact CG-CZ3 4.14Å; R861-W895 VanDerWaalsContact NH1-CD1 3.34Å; M864-W895 HydrophobicContact CB-CZ3 4.49Å; M864-W895 HydrophobicContact CE-CH2 4.11Å; M864-W895 HydrophobicContact CE-CZ3 4.28Å; M864-W895 HydrophobicContact SD-CH2 3.91Å; M864-W895 HydrophobicContact SD-CZ3 4.16Å; W895-G900 VanDerWaalsContact CH2-O 3.23Å; W895-G900 WeakPolarHBondContact CH2-O 3.37Å; W895-W902 HydrophobicContact CB-CD2 4.16Å; W895-W902 HydrophobicContact CB-CE3 4.01Å; W895-W902 HydrophobicContact CB-CH2 4.09Å; W895-W902 HydrophobicContact CB-CZ2 4.22Å; W895-W902 HydrophobicContact CB-CZ3 3.98Å; W895-W902 AromaticContact CE3-CD1 3.55Å; W895-W902 HydrophobicContact CE3-CD2 4.02Å; W895-W902 AromaticContact CE3-CE2 3.68Å; W895-W902 AromaticContact CE3-CG 3.95Å; W895-W902 HydrophobicContact CE3-CG 3.95Å; W895-W902 HydrophobicContact CE3-CZ2 4.39Å; W895-W902 AromaticContact CE3-NE1 3.35Å; W895-W902 VanDerWaalsContact CE3-NE1 3.35Å; W895-W902 AromaticContact CZ3-CD1 3.8Å; W895-W902 AromaticContact CZ3-NE1 3.71Å
896	D	80.9	Confident	77.5	Confident	14 Å²	14	77.5 Å²	77.5	8%	0.075	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	101.7	-178.3	-159.5	31.7	0	0	0	110.7	D898 N899 G900 F901 K903	D896-D898 VanDerWaalsContact C-N 3.29Å; D896-D898 PolarHBondContact O-N 3.01Å; D896-N899 PolarHBondContact O-N 3.03Å; D896-N899 PolarHBondContact OD2-ND2 2.69Å; D896-G900 PolarHBondContact O-N 2.91Å; D896-F901 VanDerWaalsContact CB-O 3.31Å; D896-F901 WeakPolarHBondContact CB-O 3.43Å; D896-F901 PolarHBondContact N-O 3.26Å; D896-K903 HydrophobicContact CB-CD 4.02Å; D896-K903 HydrophobicContact CB-CG 4.22Å; D896-K903 WeakPolarHBondContact OD1-CE 3.34Å; D896-K903 IonicContact OD1-NZ 3.16Å; D896-K903 PolarHBondContact OD1-NZ 2.98Å; D896-K903 WeakPolarHBondContact OD2-CE 3.39Å; D896-K903 IonicContact OD2-NZ 3.97Å; D896-K903 PolarHBondContact OD2-NZ 2.87Å
897	E	79	Confident	77.3	Confident	138 Å²	138	75.4 Å²	75.4	65%	0.645	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.9	-173.6	-58.4	-139.4	125.6	0	0	113.2	R861	R861-E897 IonicContact CZ-OE1 3.56Å; R861-E897 IonicContact NH1-OE1 3.4Å; R861-E897 PolarHBondContact NH1-OE1 2.92Å; R861-E897 IonicContact NH2-OE1 2.77Å; R861-E897 PolarHBondContact NH2-OE1 3.45Å
898	D	78.4	Confident	77	Confident	150 Å²	150	76.4 Å²	76.4	80%	0.802	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-33.6	179.8	-64	-39.1	0	0	0	113.3	D896	D896-D898 VanDerWaalsContact C-N 3.29Å; D896-D898 PolarHBondContact O-N 3.01Å
899	N	78.6	Confident	76.4	Confident	106 Å²	106	77.2 Å²	77.2	57%	0.567	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-8.9	-172.3	-63.2	-68.4	0	0	0	114.4	D896 F901	D896-N899 PolarHBondContact O-N 3.03Å; D896-N899 PolarHBondContact OD2-ND2 2.69Å; N899-F901 HydrophobicContact CB-CD1 3.47Å; N899-F901 VanDerWaalsContact CB-CD1 3.47Å; N899-F901 HydrophobicContact CB-CE1 3.31Å; N899-F901 HydrophobicContact CB-CZ 4.29Å; N899-F901 PolarHBondContact O-N 3.02Å
900	G	78.3	Confident	75.6	Confident	31 Å²	31	83.6 Å²	83.6	32%	0.32	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	28.8	175.3	0	0	0	0	0	115.2	M864 W895 D896	M864-G900 WeakPolarHBondContact CE-O 3.25Å; W895-G900 VanDerWaalsContact CH2-O 3.23Å; W895-G900 WeakPolarHBondContact CH2-O 3.37Å; D896-G900 PolarHBondContact O-N 2.91Å
901	F	81.2	Confident	74.6	Confident	83 Å²	83	87.1 Å²	87.1	36%	0.364	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.3	176.7	68.8	-104	0	0	0	112.4	D896 N899 K903	D896-F901 VanDerWaalsContact CB-O 3.31Å; D896-F901 WeakPolarHBondContact CB-O 3.43Å; D896-F901 PolarHBondContact N-O 3.26Å; N899-F901 HydrophobicContact CB-CD1 3.47Å; N899-F901 VanDerWaalsContact CB-CD1 3.47Å; N899-F901 HydrophobicContact CB-CE1 3.31Å; N899-F901 HydrophobicContact CB-CZ 4.29Å; N899-F901 PolarHBondContact O-N 3.02Å; F901-K903 HydrophobicContact CE2-CG 3.86Å
902	W	82.2	Confident	73.1	Confident	37 Å²	37	87 Å²	87	14%	0.14	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.4	172.9	-70.4	89.4	0	0	0	111	R861 L865 S894 W895 I904	R861-W902 HydrophobicContact CB-CZ2 4.19Å; R861-W902 PolarHBondContact O-NE1 2.92Å; L865-W902 HydrophobicContact CB-CD2 4.05Å; L865-W902 HydrophobicContact CB-CG 4.1Å; L865-W902 HydrophobicContact CB-CZ2 4.17Å; L865-W902 HydrophobicContact CD1-CB 3.95Å; L865-W902 HydrophobicContact CD1-CD2 3.83Å; L865-W902 HydrophobicContact CD1-CE3 4.13Å; L865-W902 HydrophobicContact CD1-CG 3.74Å; L865-W902 HydrophobicContact CD2-CD2 4.27Å; L865-W902 HydrophobicContact CD2-CE3 4.26Å; L865-W902 HydrophobicContact CD2-CH2 4.21Å; L865-W902 HydrophobicContact CD2-CZ2 4.21Å; L865-W902 HydrophobicContact CD2-CZ3 4.24Å; L865-W902 HydrophobicContact CG-CD2 4.25Å; L865-W902 HydrophobicContact CG-CG 4.42Å; S894-W902 VanDerWaalsContact C-CE3 3.45Å; S894-W902 CarbonylContact O-C 3.54Å; S894-W902 WeakPolarHBondContact O-CA 3.46Å; W895-W902 HydrophobicContact CB-CD2 4.16Å; W895-W902 HydrophobicContact CB-CE3 4.01Å; W895-W902 HydrophobicContact CB-CH2 4.09Å; W895-W902 HydrophobicContact CB-CZ2 4.22Å; W895-W902 HydrophobicContact CB-CZ3 3.98Å; W895-W902 AromaticContact CE3-CD1 3.55Å; W895-W902 HydrophobicContact CE3-CD2 4.02Å; W895-W902 AromaticContact CE3-CE2 3.68Å; W895-W902 AromaticContact CE3-CG 3.95Å; W895-W902 HydrophobicContact CE3-CG 3.95Å; W895-W902 HydrophobicContact CE3-CZ2 4.39Å; W895-W902 AromaticContact CE3-NE1 3.35Å; W895-W902 VanDerWaalsContact CE3-NE1 3.35Å; W895-W902 AromaticContact CZ3-CD1 3.8Å; W895-W902 AromaticContact CZ3-NE1 3.71Å; W902-I904 VanDerWaalsContact C-N 3.31Å; W902-I904 HydrophobicContact CB-CG1 4.29Å; W902-I904 PolarHBondContact O-N 2.83Å
903	K	81.2	Confident	71.6	Confident	99 Å²	99	88 Å²	88	43%	0.43	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	88	167.8	-78.4	168	169.8	161.5	0	108.7	S893 S894 D896 F901	S893-K903 WeakPolarHBondContact CA-O 3.11Å; S894-K903 PolarHBondContact N-O 3.34Å; S894-K903 PolarHBondContact O-N 3.3Å; D896-K903 HydrophobicContact CB-CD 4.02Å; D896-K903 HydrophobicContact CB-CG 4.22Å; D896-K903 WeakPolarHBondContact OD1-CE 3.34Å; D896-K903 IonicContact OD1-NZ 3.16Å; D896-K903 PolarHBondContact OD1-NZ 2.98Å; D896-K903 WeakPolarHBondContact OD2-CE 3.39Å; D896-K903 IonicContact OD2-NZ 3.97Å; D896-K903 PolarHBondContact OD2-NZ 2.87Å; F901-K903 HydrophobicContact CE2-CG 3.86Å
904	I	76.1	Confident	69.8	Low	21 Å²	21	95.8 Å²	95.8	11%	0.108	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-80.1	137.9	172.7	-65.2	174.5	0	0	0	108.9	L865 Q868 L869 Y883 I889 W902	L865-I904 HydrophobicContact CD1-CD1 4.49Å; L865-I904 HydrophobicContact CD1-CG1 4.48Å; Q868-I904 HydrophobicContact CB-CD1 3.78Å; L869-I904 HydrophobicContact CD2-CD1 4.29Å; L869-I904 HydrophobicContact CG-CD1 4.43Å; Y883-I904 HydrophobicContact CE1-CG2 4.11Å; I889-I904 HydrophobicContact CG2-CG2 3.79Å; W902-I904 VanDerWaalsContact C-N 3.31Å; W902-I904 HydrophobicContact CB-CG1 4.29Å; W902-I904 PolarHBondContact O-N 2.83Å
905	P	73.9	Confident	68.1	Low	38 Å²	38	98.5 Å²	98.5	25%	0.247	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-63.4	144.2	176.7	-22.5	32.6	0	0	0	113.9	Y883 E892	Y883-P905 VanDerWaalsContact CE1-O 3.25Å; Y883-P905 WeakPolarHBondContact CE1-O 3.42Å; Y883-P905 PolarHBondContact OH-O 3.19Å; E892-P905 HydrophobicContact CB-CG 3.6Å
906	D	69	Low	66.3	Low	133 Å²	133	102.8 Å²	102.8	71%	0.711	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-63.8	154.6	179.9	-72.5	-55.3	0	0	0	114.7	N882 I908	N882-D906 PolarHBondContact ND2-O 3.47Å; D906-I908 PolarHBondContact O-N 3.3Å
907	P	66.4	Low	64.6	Low	59 Å²	59	108.4 Å²	108.4	38%	0.383	59%	0.593	S	S	.	*			trans	-73.2	114.1	174.7	26.7	-30.5	0	0	0	112.9	L876 C881 Y883	L876-P907 HydrophobicContact CD1-CB 4.14Å; L876-P907 HydrophobicContact CD1-CG 4.22Å; C881-P907 VanDerWaalsContact SG-CB 3.59Å; Y883-P907 HydrophobicContact CD2-CB 4.31Å; Y883-P907 HydrophobicContact CE2-CB 3.67Å; Y883-P907 HydrophobicContact CE2-CG 4.24Å; Y883-P907 WeakPolarHBondContact OH-CD 3.27Å
908	I	64.1	Low	62.9	Low	108 Å²	108	107.5 Å²	107.5	55%	0.554	60%	0.599	S	S	*	*			trans	-98.1	117.7	170.7	-57.2	177.8	0	0	0	109.6	D906 L910	D906-I908 PolarHBondContact O-N 3.3Å; I908-L910 HydrophobicContact CG2-CD2 4.24Å; I908-L910 HydrophobicContact CG2-CG 4.41Å
909	I	61.4	Low	61.1	Low	109 Å²	109	107.1 Å²	107.1	56%	0.559	60%	0.603	S	S	*	*	B	Isolated β-bridge	trans	-104.8	112.2	176.3	-55.5	174	0	0	0	109.6	K911	I909-K911 PolarHBondContact O-N 3.23Å
910	L	59	Low	59.3	Low	141 Å²	141	105.3 Å²	105.3	74%	0.738	61%	0.609	S	S	*	*			trans	-88.6	95.8	-178.4	-68.5	173.9	0	0	0	111.9	I908	I908-L910 HydrophobicContact CG2-CD2 4.24Å; I908-L910 HydrophobicContact CG2-CG 4.41Å
911	K	53.9	Low	57.3	Low	198 Å²	198	110.2 Å²	110.2	86%	0.861	63%	0.633	S	S	*	*			trans	-82.5	110.3	168.3	-72.4	-177.4	178.5	176.3	0	110.8	I909	I909-K911 PolarHBondContact O-N 3.23Å
912	T	46.1	Very low	55.6	Low	143 Å²	143	114.1 Å²	114.1	88%	0.877	65%	0.652	S	S	*	*			trans	-93.8	129.1	175.3	33	0	0	0	0	112.5
913	S	48.8	Very low	53.5	Low	114 Å²	114	119 Å²	119	80%	0.797	68%	0.681	S	S	*	*			trans	-133.2	143.2	170.2	56.6	0	0	0	0	110
914	L	41.7	Very low	51.7	Low	173 Å²	173	124 Å²	124	91%	0.906	70%	0.703	S	S	*	*			trans	-75.9	141.4	-169.8	-64.2	168.5	0	0	0	113
915	P	47.2	Very low	50.1	Low	119 Å²	119	128.9 Å²	128.9	77%	0.773	74%	0.736	S	S	*	*			trans	-93.5	163	-174.7	36.9	-36.7	0	0	0	114.7
916	V	45.5	Very low	48.4	Very low	145 Å²	145	131.8 Å²	131.8	88%	0.879	76%	0.763	S	S	*	*			trans	-127.7	154.7	169.3	179.7	0	0	0	0	109.6
917	V	45.2	Very low	46.8	Very low	131 Å²	131	136.9 Å²	136.9	79%	0.794	77%	0.772	S	S	*	*			trans	-83.1	142	-158.2	-178.3	0	0	0	0	114
918	P	43.4	Very low	45.5	Very low	120 Å²	120	143 Å²	143	78%	0.779	79%	0.793	S	S	*	*			trans	-96.5	170.4	-174.6	38.5	-37.9	0	0	0	115.5
919	T	40.7	Very low	44.2	Very low	142 Å²	142	143.6 Å²	143.6	87%	0.871	80%	0.802	S	S	*	*			trans	-125.8	134.1	-179.8	53.7	0	0	0	0	114.2
920	G	40.1	Very low	43	Very low	67 Å²	67	143.4 Å²	143.4	69%	0.691	81%	0.81	S	S	*	*			trans	87.6	68.3	137.8	0	0	0	0	0	121.2
921	T	36.8	Very low	41.9	Very low	134 Å²	134	141 Å²	141	82%	0.822	81%	0.811	S	S	*	*				36.4	151.5	129.4	57.4	0	0	0	0	124.2
922	Q	44.1	Very low	41.2	Very low	165 Å²	165	137.9 Å²	137.9	77%	0.771	81%	0.808	S	S	*	*			trans	98.7	133.8	168.1	-60.8	-161	36.9	0	0	114.9
923	N	38.9	Very low	40.6	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	80%	0.802	S	S	*	*			cis	-140.9	170.6	-2.1	-99	-28.7	0	0	0	113.1
924	K	42.8	Very low	39.9	Very low	202 Å²	202	137.7 Å²	137.7	88%	0.878	80%	0.801	S	S	*	*			trans	-100.9	163.9	-172.1	-91.8	-177.1	176.5	177.9	0	114.8
925	P	42.8	Very low	39.6	Very low	125 Å²	125	132.8 Å²	132.8	81%	0.812	79%	0.793	S	S	*	*			trans	-103.4	177.9	-168.3	41	-37.9	0	0	0	115.9
926	A	38.8	Very low	39.1	Very low	98 Å²	98	136.3 Å²	136.3	81%	0.81	80%	0.799	S	S	*	*			trans	-125.3	161.9	160.6	0	0	0	0	0	109
927	R	35.4	Very low	38.7	Very low	241 Å²	241	134.2 Å²	134.2	91%	0.909	79%	0.788	S	S	*	*			cis	-155	161.4	25.4	-159.7	-176.2	177.7	157.5	0.2	112.8
928	K	37.6	Very low	38.1	Very low	188 Å²	188	137.3 Å²	137.3	82%	0.817	79%	0.793	S	S	*	*			trans	-115.9	177.9	168.6	-63.5	-170.6	177.7	-173.8	0	110.3
929	T	38.1	Very low	37.7	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	79%	0.79	S	S	*	*			cis	-140.6	161.4	20.2	41.4	0	0	0	0	109.2
930	S	35.9	Very low	37.3	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	78%	0.784	S	S	*	*			cis	77.2	108.6	33.6	81.2	0	0	0	0	117.3
931	A	36.1	Very low	37.3	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	79%	0.787	S	S	*	*			trans	-163.8	121.8	161.7	0	0	0	0	0	107.9
932	V	38.6	Very low	37.5	Very low	132 Å²	132	145.7 Å²	145.7	80%	0.8	79%	0.786	S	S	*	*				73.5	133.8	89	173.4	0	0	0	0	112.4
933	D	35.2	Very low	37.9	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	78%	0.78	S	S	*	*			cis	-126.3	-149.2	17.5	-142.8	-35.4	0	0	0	115.6
934	S	34.1	Very low	38.1	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	78%	0.778	S	S	*	*			trans	-145.5	158.8	-148	-39	0	0	0	0	115.6
935	G	34.1	Very low	38.2	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	76%	0.764	S	S	*	*			trans	106.5	147.5	161.4	0	0	0	0	0	116.5
936	E	36.8	Very low	38.8	Very low	193 Å²	193	144.5 Å²	144.5	90%	0.902	76%	0.757	S	S	*	*			cis	-156	172.7	-14.6	-107.8	-131.8	130.5	0	0	109.9
937	P	38.3	Very low	39.3	Very low	100 Å²	100	145.1 Å²	145.1	65%	0.649	75%	0.746	S	S	*	*			trans	-107.4	161.8	-143.2	39.6	-37.8	0	0	0	118.1
938	H	31.2	Very low	40	Very low	196 Å²	196	137.8 Å²	137.8	91%	0.907	72%	0.723	S	S	*	*			trans	-133.5	143.7	145.8	-155	61.8	0	0	0	109.5
939	M	34.9	Very low	40.5	Very low	146 Å²	146	134.6 Å²	134.6	72%	0.719	71%	0.714	S	S	*	*			trans	-160.9	160.5	-161	-159.6	-157.3	167.6	0	0	112.1
940	Q	32.5	Very low	41	Very low	160 Å²	160	132.6 Å²	132.6	75%	0.748	71%	0.705	S	S	*	*			trans	81.4	82.6	161.1	-51.7	174.7	22.8	0	0	117.9
941	E	40.5	Very low	41.4	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	70%	0.703	S	S	*	*	S	Bend	trans	-151	-47.6	139.5	-126.3	163.4	-157.4	0	0	113.8	D943 R944	E941-D943 PolarHBondContact O-N 3.34Å; E941-R944 WeakPolarHBondContact O-CB 3.21Å; E941-R944 PolarHBondContact O-N 3.31Å
942	E	40.5	Very low	41.8	Very low	173 Å²	173	136.3 Å²	136.3	81%	0.808	70%	0.698	S	S	*	*	H	α-helix	trans	-64.5	-44	-171.2	-59.4	-170.4	133.9	0	0	114.9	R944 Y945 K946	E942-R944 PolarHBondContact O-N 3.26Å; E942-R944 VanDerWaalsContact O-N 3.1Å; E942-Y945 PolarHBondContact O-N 2.69Å; E942-Y945 VanDerWaalsContact O-N 3.12Å; E942-K946 PolarHBondContact O-N 3.49Å
943	D	52.1	Low	41.9	Very low	120 Å²	120	136.3 Å²	136.3	64%	0.642	69%	0.694	S	S	*	*	H	α-helix	trans	-61.9	-21.9	-179.3	-89.1	-33.2	0	0	0	113.3	E941 Y945 K946 L947	E941-D943 PolarHBondContact O-N 3.34Å; D943-Y945 VanDerWaalsContact C-N 3.35Å; D943-Y945 PolarHBondContact O-N 3.3Å; D943-K946 PolarHBondContact O-N 3.21Å; D943-L947 WeakPolarHBondContact O-CB 3.38Å; D943-L947 PolarHBondContact O-N 3.22Å
944	R	44.1	Very low	42.3	Very low	186 Å²	186	133.9 Å²	133.9	70%	0.702	69%	0.688	S	S	*	*	H	α-helix	trans	-66	-38.5	177.1	-171.5	176.5	179.1	166.4	-0.2	111.5	E941 E942 M948	E941-R944 WeakPolarHBondContact O-CB 3.21Å; E941-R944 PolarHBondContact O-N 3.31Å; E942-R944 PolarHBondContact O-N 3.26Å; E942-R944 VanDerWaalsContact O-N 3.1Å; R944-M948 HydrophobicContact CG-CE 4.36Å; R944-M948 WeakPolarHBondContact O-CG 3.48Å; R944-M948 PolarHBondContact O-N 3.03Å; R944-M948 VanDerWaalsContact O-N 3.08Å
945	Y	44.3	Very low	42.7	Very low	152 Å²	152	136.5 Å²	136.5	60%	0.596	69%	0.688	S	S	*	*	H	α-helix	trans	-71	-40.8	175.9	-72.9	-80.3	0	0	0	111.4	E942 D943 L947 M948 L949	E942-Y945 PolarHBondContact O-N 2.69Å; E942-Y945 VanDerWaalsContact O-N 3.12Å; D943-Y945 VanDerWaalsContact C-N 3.35Å; D943-Y945 PolarHBondContact O-N 3.3Å; Y945-L947 VanDerWaalsContact C-N 3.31Å; Y945-L947 PolarHBondContact O-N 3.04Å; Y945-M948 HydrophobicContact CD1-CE 3.62Å; Y945-M948 HydrophobicContact CE1-CE 3.84Å; Y945-M948 HydrophobicContact CG-CE 4.18Å; Y945-M948 PolarHBondContact O-N 3.46Å; Y945-L949 WeakPolarHBondContact O-CG 3.33Å; Y945-L949 PolarHBondContact O-N 3.2Å
946	K	55.4	Low	43.2	Very low	151 Å²	151	135.4 Å²	135.4	66%	0.657	67%	0.665	S	S	*	*	H	α-helix	trans	-58.5	-42.5	175.6	-144.9	169.3	-172.8	172.7	0	111.8	E942 D943 S950	E942-K946 PolarHBondContact O-N 3.49Å; D943-K946 PolarHBondContact O-N 3.21Å; K946-S950 PolarHBondContact O-N 2.93Å; K946-S950 PolarHBondContact O-OG 2.91Å; K946-S950 VanDerWaalsContact O-OG 3.11Å
947	L	50.7	Low	43.6	Very low	110 Å²	110	132.5 Å²	132.5	58%	0.576	66%	0.655	S	S	*	*	H	α-helix	trans	-77	-21.5	178	-153.2	78.1	0	0	0	114.2	D943 Y945 S950 R951	D943-L947 WeakPolarHBondContact O-CB 3.38Å; D943-L947 PolarHBondContact O-N 3.22Å; Y945-L947 VanDerWaalsContact C-N 3.31Å; Y945-L947 PolarHBondContact O-N 3.04Å; L947-S950 PolarHBondContact O-OG 3.31Å; L947-R951 WeakPolarHBondContact O-CG 3.45Å
948	M	48.8	Very low	44.1	Very low	88 Å²	88	130.1 Å²	130.1	43%	0.433	64%	0.643	S	S	.	*	H	α-helix	trans	-78	-45.3	171.2	-76.5	-172.3	-57.6	0	0	111.5	R944 Y945 S950 R951 S952	R944-M948 HydrophobicContact CG-CE 4.36Å; R944-M948 WeakPolarHBondContact O-CG 3.48Å; R944-M948 PolarHBondContact O-N 3.03Å; R944-M948 VanDerWaalsContact O-N 3.08Å; Y945-M948 HydrophobicContact CD1-CE 3.62Å; Y945-M948 HydrophobicContact CE1-CE 3.84Å; Y945-M948 HydrophobicContact CG-CE 4.18Å; Y945-M948 PolarHBondContact O-N 3.46Å; M948-S950 PolarHBondContact O-N 3.39Å; M948-R951 WeakPolarHBondContact O-CB 3.37Å; M948-R951 PolarHBondContact O-N 2.96Å; M948-S952 PolarHBondContact O-N 3.11Å; M948-S952 PolarHBondContact O-OG 3.47Å
949	L	48	Very low	45.1	Very low	121 Å²	121	124.6 Å²	124.6	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-58.1	-48.3	176.8	-71.5	165.5	0	0	0	110.9	Y945 R951 S952	Y945-L949 WeakPolarHBondContact O-CG 3.33Å; Y945-L949 PolarHBondContact O-N 3.2Å; L949-R951 PolarHBondContact O-N 3.32Å; L949-S952 PolarHBondContact O-N 2.74Å
950	S	49	Very low	45.8	Very low	78 Å²	78	123.6 Å²	123.6	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-69.8	1.1	176.6	66.5	0	0	0	0	115.2	K946 L947 M948	K946-S950 PolarHBondContact O-N 2.93Å; K946-S950 PolarHBondContact O-OG 2.91Å; K946-S950 VanDerWaalsContact O-OG 3.11Å; L947-S950 PolarHBondContact O-OG 3.31Å; M948-S950 PolarHBondContact O-N 3.39Å
951	R	45.1	Very low	46.4	Very low	179 Å²	179	124.9 Å²	124.9	68%	0.675	62%	0.624	S	S	*	*	H	α-helix	trans	-99.3	-36.9	169.9	-84.2	178.6	164.2	-170.8	-4.8	112.4	L947 M948 L949 D953 S954	L947-R951 WeakPolarHBondContact O-CG 3.45Å; M948-R951 WeakPolarHBondContact O-CB 3.37Å; M948-R951 PolarHBondContact O-N 2.96Å; L949-R951 PolarHBondContact O-N 3.32Å; R951-D953 VanDerWaalsContact C-N 3.27Å; R951-D953 PolarHBondContact O-N 2.83Å; R951-S954 WeakPolarHBondContact O-CB 3.29Å; R951-S954 PolarHBondContact O-N 2.78Å; R951-S954 PolarHBondContact O-OG 3.08Å
952	S	44.5	Very low	46.4	Very low	94 Å²	94	126.1 Å²	126.1	66%	0.657	63%	0.627	S	S	*	*	H	α-helix	trans	-61.3	-32.3	-178.9	-62.7	0	0	0	0	113.6	M948 L949 S954	M948-S952 PolarHBondContact O-N 3.11Å; M948-S952 PolarHBondContact O-OG 3.47Å; L949-S952 PolarHBondContact O-N 2.74Å; S952-S954 PolarHBondContact O-N 3.11Å; S952-S954 VanDerWaalsContact O-N 3.12Å
953	D	39.7	Very low	46.5	Very low	133 Å²	133	128.5 Å²	128.5	71%	0.711	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-2.5	179.7	-65.9	-33.3	0	0	0	114.6	R951	R951-D953 VanDerWaalsContact C-N 3.27Å; R951-D953 PolarHBondContact O-N 2.83Å
954	S	44	Very low	45.8	Very low	92 Å²	92	127 Å²	127	64%	0.643	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-20	-176.4	70.5	0	0	0	0	115	R951 S952 N956	R951-S954 WeakPolarHBondContact O-CB 3.29Å; R951-S954 PolarHBondContact O-N 2.78Å; R951-S954 PolarHBondContact O-OG 3.08Å; S952-S954 PolarHBondContact O-N 3.11Å; S952-S954 VanDerWaalsContact O-N 3.12Å; S954-N956 PolarHBondContact O-N 3.49Å; S954-N956 VanDerWaalsContact O-N 3.13Å
955	E	43.3	Very low	45.6	Very low	163 Å²	163	126.1 Å²	126.1	76%	0.762	63%	0.629	S	S	*	*			trans	-90.4	69.3	-177.4	-64.3	-160.2	148.9	0	0	112.2	I957	E955-I957 VanDerWaalsContact C-N 3.35Å; E955-I957 PolarHBondContact O-N 3.4Å
956	N	43.2	Very low	45.5	Very low	48 Å²	48	128.5 Å²	128.5	26%	0.257	64%	0.637	S	S	.	*			trans	-75.3	85	178	-162.9	18.9	0	0	0	111.8	E887 R891 S954 A958 S959	E887-N956 PolarHBondContact OE2-ND2 3.18Å; E887-N956 PolarHBondContact OE2-OD1 3.21Å; R891-N956 PolarHBondContact NH2-ND2 2.94Å; S954-N956 PolarHBondContact O-N 3.49Å; S954-N956 VanDerWaalsContact O-N 3.13Å; N956-A958 PolarHBondContact O-N 2.93Å; N956-S959 WeakPolarHBondContact O-CB 3.37Å; N956-S959 PolarHBondContact O-N 3.37Å; N956-S959 PolarHBondContact O-OG 3.37Å
957	I	45.8	Very low	45	Very low	132 Å²	132	124.7 Å²	124.7	68%	0.677	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-50.8	-32.1	-173.6	-68.4	167.2	0	0	0	113.3	E955 S959 N960	E955-I957 VanDerWaalsContact C-N 3.35Å; E955-I957 PolarHBondContact O-N 3.4Å; I957-S959 PolarHBondContact O-N 3.42Å; I957-S959 VanDerWaalsContact O-N 3.11Å; I957-N960 PolarHBondContact O-N 2.88Å
958	A	48.4	Very low	44.6	Very low	50 Å²	50	124.4 Å²	124.4	41%	0.413	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-55.2	-27.7	175.3	0	0	0	0	0	113.9	N956	N956-A958 PolarHBondContact O-N 2.93Å
959	S	51.7	Low	44.5	Very low	81 Å²	81	127.9 Å²	127.9	57%	0.566	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-77.2	-19.9	-175.3	65.7	0	0	0	0	115.4	N956 I957	N956-S959 WeakPolarHBondContact O-CB 3.37Å; N956-S959 PolarHBondContact O-N 3.37Å; N956-S959 PolarHBondContact O-OG 3.37Å; I957-S959 PolarHBondContact O-N 3.42Å; I957-S959 VanDerWaalsContact O-N 3.11Å
960	N	49.6	Very low	44.5	Very low	124 Å²	124	128.6 Å²	128.6	66%	0.663	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-14.4	-178.4	-84.6	-28.1	0	0	0	114	I957 F962	I957-N960 PolarHBondContact O-N 2.88Å; N960-F962 VanDerWaalsContact C-N 3.25Å; N960-F962 PolarHBondContact O-N 3.09Å; N960-F962 VanDerWaalsContact O-N 3.14Å
961	Y	44.9	Very low	44.1	Very low	188 Å²	188	131.5 Å²	131.5	74%	0.737	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-15.4	-167.1	-145.2	-95.2	0	0	0	115.2
962	F	42.2	Very low	43.8	Very low	185 Å²	185	129 Å²	129	81%	0.811	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	8.6	-173.2	-67.5	-75.8	0	0	0	115.6	N960 S964	N960-F962 VanDerWaalsContact C-N 3.25Å; N960-F962 PolarHBondContact O-N 3.09Å; N960-F962 VanDerWaalsContact O-N 3.14Å; F962-S964 PolarHBondContact O-N 3.26Å; F962-S964 VanDerWaalsContact O-N 3.1Å
963	R	42.8	Very low	43.5	Very low	224 Å²	224	131 Å²	131	85%	0.845	69%	0.686	S	S	*	*			trans	-78.8	94.8	176.3	-82.8	-169.7	174.2	-118.3	0.6	112.1
964	S	35.5	Very low	43.4	Very low	89 Å²	89	132.4 Å²	132.4	62%	0.622	69%	0.693	S	S	*	*			trans	-75.8	148	176.7	-163.4	0	0	0	0	113.4	F962	F962-S964 PolarHBondContact O-N 3.26Å; F962-S964 VanDerWaalsContact O-N 3.1Å
965	K	40.8	Very low	43	Very low	166 Å²	166	133.1 Å²	133.1	72%	0.722	70%	0.696	S	S	*	*			trans	69.6	132	163.9	-68.7	146.9	-171.1	175.2	0	115.5	A967	K965-A967 PolarHBondContact O-N 3Å
966	R	42	Very low	42.8	Very low	202 Å²	202	133.3 Å²	133.3	76%	0.762	70%	0.699	S	S	*	*	S	Bend		58.8	-4.4	66.6	-149	-173.7	-139.6	178.2	7.5	114.4
967	A	44	Very low	42.6	Very low	71 Å²	71	140 Å²	140	59%	0.587	73%	0.726	S	S	*	*	S	Bend	trans	-92.5	-24.3	178.5	0	0	0	0	0	113.3	K965	K965-A967 PolarHBondContact O-N 3Å
968	S	42.3	Very low	41.8	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-5.2	177.9	49.6	0	0	0	0	114.6
969	Q	47.7	Very low	41.2	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.752	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	7.2	-178.5	-72.6	178.1	-37.4	0	0	113.9
970	I	47.3	Very low	40.4	Very low	137 Å²	137	144.5 Å²	144.5	70%	0.703	75%	0.749	S	S	*	*	S	Bend	trans	-120.3	-2.2	-169.2	-62.4	176.6	0	0	0	112.2
971	L	41.9	Very low	39.8	Very low	139 Å²	139	148.2 Å²	148.2	73%	0.728	76%	0.755	S	S	*	*	S	Bend	trans	-128.1	138.6	-178.5	-68.6	172.2	0	0	0	112.1
972	S	38.7	Very low	39.3	Very low	126 Å²	126	146.5 Å²	146.5	88%	0.881	75%	0.754	S	S	*	*			trans	58.6	83.3	173.1	34.8	0	0	0	0	116.1
973	T	38.6	Very low	38.9	Very low	136 Å²	136	144 Å²	144	83%	0.834	75%	0.748	S	S	*	*			trans	-71	138.7	158	48.5	0	0	0	0	111.8
974	D	37.5	Very low	38.5	Very low	162 Å²	162	138.7 Å²	138.7	87%	0.866	75%	0.746	S	S	*	*			trans	-158.5	136	133.2	-129.3	-14.7	0	0	0	110.9
975	P	34.2	Very low	38.9	Very low	108 Å²	108	140.2 Å²	140.2	70%	0.701	75%	0.754	S	S	*	*			trans	-113.2	143	-172.7	38.1	-29.2	0	0	0	114.6
976	M	40.4	Very low	38.9	Very low	166 Å²	166	138.6 Å²	138.6	82%	0.818	76%	0.76	S	S	*	*			trans	-172.6	140.4	147.8	-103.3	-90.1	117.7	0	0	113.1
977	K	37.5	Very low	38.5	Very low	189 Å²	189	132.2 Å²	132.2	82%	0.822	76%	0.757	S	S	*	*			trans	68.1	92.1	159.4	-66.4	173.1	-177.6	176.9	0	118.7
978	S	30.6	Very low	38.1	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	77%	0.769	S	S	*	*			trans	-89.9	-178.6	162.4	52.6	0	0	0	0	112.7
979	L	34.3	Very low	37.8	Very low	148 Å²	148	138.4 Å²	138.4	78%	0.775	77%	0.772	S	S	*	*			trans	75.5	148.5	167.7	-57.8	159	0	0	0	114.3
980	T	36.3	Very low	37.2	Very low	108 Å²	108	135.8 Å²	135.8	66%	0.663	77%	0.771	S	S	*	*			cis	-159.5	145.1	14.4	5.7	0	0	0	0	110.2
981	Y	35.5	Very low	36.5	Very low	202 Å²	202	134 Å²	134	79%	0.792	77%	0.77	S	S	*	*			trans	40.5	155.4	135.4	-70.4	-113.1	0	0	0	121.5
982	H	35.4	Very low	36.3	Very low	152 Å²	152	135.1 Å²	135.1	70%	0.704	78%	0.776	S	S	*	*			cis	-178.4	172.8	-22.5	-145.1	-97.2	0	0	0	107
983	N	34.7	Very low	36.2	Very low	131 Å²	131	133.5 Å²	133.5	70%	0.701	77%	0.765	S	S	*	*			trans	78	106.6	160.1	-55.5	-21.5	0	0	0	122.9
984	S	33.9	Very low	36.1	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	76%	0.76	S	S	*	*				53.7	134.6	121.3	-48.6	0	0	0	0	126
985	P	42.8	Very low	36	Very low	121 Å²	121	132.9 Å²	132.9	79%	0.786	76%	0.757	S	S	*	*			trans	-91.5	-163.5	163.2	43.1	-38.1	0	0	0	111.6
986	P	40.8	Very low	36.1	Very low	131 Å²	131	132.9 Å²	132.9	85%	0.851	76%	0.759	S	S	*	*			cis	-148.1	-167.3	12.9	46.1	-24.5	0	0	0	119
987	G	34.2	Very low	36	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	76%	0.76	S	S	*	*			trans	123.3	161.1	161.1	0	0	0	0	0	115.4
988	L	36.5	Very low	36.1	Very low	158 Å²	158	128.8 Å²	128.8	83%	0.827	76%	0.763	S	S	*	*			cis	-174.6	176.1	-27.1	-115.8	174.9	0	0	0	108.5
989	N	35.2	Very low	36.4	Very low	148 Å²	148	129.3 Å²	129.3	79%	0.791	76%	0.764	S	S	*	*			trans	78.9	158.5	172.1	-45	-26.7	0	0	0	117.1
990	S	35.4	Very low	36.6	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	76%	0.762	S	S	*	*			cis	173.4	157.3	-26.5	58.8	0	0	0	0	108.8
991	S	32.7	Very low	36.4	Very low	98 Å²	98	128.3 Å²	128.3	69%	0.685	77%	0.766	S	S	*	*			cis	-176.7	-170.7	-20.5	57.4	0	0	0	0	108.7
992	L	37.5	Very low	36.3	Very low	163 Å²	163	127.5 Å²	127.5	85%	0.853	77%	0.769	S	S	*	*			trans	74.5	149.5	171.2	-58.6	163.1	0	0	0	117.7
993	S	35.8	Very low	36.3	Very low	92 Å²	92	126.9 Å²	126.9	64%	0.643	78%	0.776	S	S	*	*			cis	-165.8	161.5	-12.9	50.9	0	0	0	0	114.9
994	N	36	Very low	36.3	Very low	138 Å²	138	126.8 Å²	126.8	74%	0.738	78%	0.783	S	S	*	*			trans	72	118.5	152.4	-64.8	-3.5	0	0	0	124.4
995	N	36.9	Very low	36.2	Very low	148 Å²	148	129.7 Å²	129.7	79%	0.791	78%	0.784	S	S	*	*				52.2	143.9	127	-63.5	2.1	0	0	0	122.4
996	S	36.4	Very low	35.9	Very low	108 Å²	108	132 Å²	132	76%	0.755	79%	0.786	S	S	*	*			cis	-173.8	165.2	-4.5	48	0	0	0	0	112.8
997	A	36.9	Very low	35.7	Very low	100 Å²	100	130.5 Å²	130.5	83%	0.826	78%	0.776	S	S	*	*			trans	93.5	145	160.5	0	0	0	0	0	120
998	L	40.3	Very low	35.8	Very low	168 Å²	168	135.5 Å²	135.5	88%	0.88	78%	0.782	S	S	*	*			trans	-113.3	-168.7	-177.2	-61.8	158.9	0	0	0	108.4
999	P	37.6	Very low	36	Very low	114 Å²	114	134 Å²	134	74%	0.74	78%	0.781	S	S	*	*			cis	-132.5	-155.9	-5.5	36.5	-13.3	0	0	0	112.3
1000	P	38.9	Very low	35.9	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	79%	0.785	S	S	*	*				-125.6	-157.6	-61.3	36.4	-18.9	0	0	0	112.6
1001	T	31.7	Very low	36.1	Very low	122 Å²	122	138.6 Å²	138.6	75%	0.748	79%	0.786	S	S	*	*			trans	99.1	136.4	153.1	-6.7	0	0	0	0	119.6
1002	Q	33.6	Very low	36.3	Very low	186 Å²	186	143.6 Å²	143.6	87%	0.869	80%	0.796	S	S	*	*			trans	71	93.9	164	-52.6	-171	17.8	0	0	118.8
1003	T	33.9	Very low	36.2	Very low	139 Å²	139	145.3 Å²	145.3	85%	0.853	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-102.9	144.9	156.4	44.7	0	0	0	0	110.5
1004	P	35.3	Very low	36.4	Very low	129 Å²	129	149 Å²	149	84%	0.838	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-83.6	159.2	-174.3	33.3	-36	0	0	0	115.2
1005	E	32.1	Very low	36.4	Very low	174 Å²	174	148.9 Å²	148.9	81%	0.813	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-49.8	142.3	178.3	-175.9	179.8	-178.9	0	0	116.5
1006	M	35.3	Very low	36.3	Very low	171 Å²	171	147 Å²	147	84%	0.842	80%	0.797	S	S	*	*			trans	-118.4	113.2	163.1	-121.9	-72.1	-73	0	0	107.4	Q1008	M1006-Q1008 PolarHBondContact O-N 3.37Å
1007	P	37.3	Very low	36.3	Very low	98 Å²	98	149.3 Å²	149.3	64%	0.636	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.8	126.3	-164.8	28	-34.7	0	0	0	113.1
1008	Q	37.1	Very low	36.1	Very low	174 Å²	174	151.9 Å²	151.9	81%	0.813	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69	147.3	172.5	-72.3	-176.2	-26.9	0	0	112.3	M1006 R1010	M1006-Q1008 PolarHBondContact O-N 3.37Å; Q1008-R1010 PolarHBondContact O-N 2.99Å
1009	P	39.5	Very low	36	Very low	125 Å²	125	150.5 Å²	150.5	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.6	122.3	169.4	29	-33.3	0	0	0	110.1
1010	R	34	Very low	35.9	Very low	231 Å²	231	150.7 Å²	150.7	87%	0.872	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70.9	136.8	-176.3	-57.4	-179.2	-171.9	-173.6	1.6	111.2	Q1008	Q1008-R1010 PolarHBondContact O-N 2.99Å
1011	P	38.6	Very low	35.8	Very low	120 Å²	120	155.6 Å²	155.6	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67.9	143.5	170.7	28.8	-34	0	0	0	111	R1013	P1011-R1013 PolarHBondContact O-N 3.49Å
1012	F	38.5	Very low	36.2	Very low	203 Å²	203	155.2 Å²	155.2	89%	0.89	81%	0.805	S	S	*	*			trans	-68	112.8	176.4	-95.4	-96.1	0	0	0	111	L1014	F1012-L1014 PolarHBondContact O-N 2.95Å
1013	R	34.9	Very low	36.3	Very low	199 Å²	199	156.4 Å²	156.4	75%	0.751	81%	0.808	S	S	*	*			trans	-85.3	104.5	172	-175.8	177.5	170.3	106.7	-3.6	109	P1011 E1015	P1011-R1013 PolarHBondContact O-N 3.49Å; R1013-E1015 HydrophobicContact CG-CG 3.88Å; R1013-E1015 IonicContact CZ-OE1 3.61Å; R1013-E1015 VanDerWaalsContact CZ-OE1 3.25Å; R1013-E1015 IonicContact NE-OE1 3.55Å; R1013-E1015 PolarHBondContact NE-OE1 3.1Å; R1013-E1015 IonicContact NH2-OE1 2.75Å; R1013-E1015 PolarHBondContact NH2-OE1 3.28Å; R1013-E1015 PolarHBondContact O-N 3.12Å; R1013-E1015 VanDerWaalsContact O-N 3.15Å
1014	L	39	Very low	36.5	Very low	171 Å²	171	154.7 Å²	154.7	90%	0.895	81%	0.808	S	S	*	*			trans	-70.4	103.7	166.2	-106.9	79.8	0	0	0	108.4	F1012	F1012-L1014 PolarHBondContact O-N 2.95Å
1015	E	36.9	Very low	36.8	Very low	135 Å²	135	158.4 Å²	158.4	63%	0.631	81%	0.81	S	S	*	*			trans	-88.4	144	165.4	-61.3	-155.6	135.7	0	0	110.4	R1013	R1013-E1015 HydrophobicContact CG-CG 3.88Å; R1013-E1015 IonicContact CZ-OE1 3.61Å; R1013-E1015 VanDerWaalsContact CZ-OE1 3.25Å; R1013-E1015 IonicContact NE-OE1 3.55Å; R1013-E1015 PolarHBondContact NE-OE1 3.1Å; R1013-E1015 IonicContact NH2-OE1 2.75Å; R1013-E1015 PolarHBondContact NH2-OE1 3.28Å; R1013-E1015 PolarHBondContact O-N 3.12Å; R1013-E1015 VanDerWaalsContact O-N 3.15Å
1016	S	33.7	Very low	37	Very low	108 Å²	108	161.9 Å²	161.9	76%	0.755	82%	0.816	S	S	*	*			trans	-71.5	124.8	-171.5	46.6	0	0	0	0	112.6
1017	L	36.8	Very low	37.1	Very low	157 Å²	157	162.8 Å²	162.8	82%	0.822	82%	0.815	S	S	*	*			trans	-110	89.8	164.8	-81.5	172.6	0	0	0	110.4	I1019	L1017-I1019 PolarHBondContact O-N 3.47Å
1018	D	32.9	Very low	37.1	Very low	154 Å²	154	167.6 Å²	167.6	82%	0.824	83%	0.826	S	S	*	*			trans	-70.8	110.7	164.9	-80.6	-58.3	0	0	0	110.1
1019	I	38.5	Very low	37.1	Very low	138 Å²	138	165.2 Å²	165.2	71%	0.708	83%	0.829	S	S	*	*			trans	-130.5	120.5	169.3	-57.9	-176.6	0	0	0	108.6	L1017	L1017-I1019 PolarHBondContact O-N 3.47Å
1020	P	36.5	Very low	37.2	Very low	119 Å²	119	167.2 Å²	167.2	77%	0.773	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-88.4	132.8	-162	32.7	-35.9	0	0	0	114.1
1021	F	36.4	Very low	37.4	Very low	215 Å²	215	163.8 Å²	163.8	94%	0.943	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.1	116.9	166.4	-101.8	-84.9	0	0	0	112.1
1022	S	40.1	Very low	37.4	Very low	113 Å²	113	161.7 Å²	161.7	79%	0.79	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.5	165.5	-178	63	0	0	0	0	113.1
1023	K	35.5	Very low	37.4	Very low	212 Å²	212	161.7 Å²	161.7	92%	0.922	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.7	124.4	-165.5	-62.6	168.2	-177.7	168.5	0	112.9
1024	A	38.4	Very low	37.6	Very low	103 Å²	103	155.6 Å²	155.6	85%	0.851	81%	0.811	S	S	*	*			trans	-124.9	130.5	162	0	0	0	0	0	111
1025	K	40.4	Very low	37.5	Very low	206 Å²	206	151.4 Å²	151.4	90%	0.896	81%	0.809	S	S	*	*			trans	-96.4	135.7	-174.3	-62.7	172.2	179.9	171.6	0	112.2
1026	R	36.3	Very low	37.4	Very low	247 Å²	247	154.1 Å²	154.1	93%	0.932	82%	0.822	S	S	*	*			trans	-159.3	162.4	131.8	-120.3	169.5	173.5	172.8	-4.5	114.9
1027	K	37.7	Very low	38	Very low	191 Å²	191	154.7 Å²	154.7	83%	0.83	82%	0.823	S	S	*	*			trans	-41.6	133.2	-173.5	-70.7	176.2	176	-179.2	0	113.7
1028	K	38.4	Very low	38	Very low	199 Å²	199	159.1 Å²	159.1	87%	0.865	85%	0.846	S	S	*	*				79.5	93.5	55.4	-173.8	-166.7	178.4	-179.9	0	113.3
1029	S	36.9	Very low	38.2	Very low	123 Å²	123	159.4 Å²	159.4	86%	0.86	85%	0.847	S	S	*	*			trans	-139.6	157.4	131.1	-164.7	0	0	0	0	108.7
1030	K	41.6	Very low	38.2	Very low	167 Å²	167	160.5 Å²	160.5	73%	0.726	85%	0.854	S	S	*	*			trans	-148.1	133.6	-175.2	173.5	-175.8	177.4	-178.3	0	107.9	S1032	K1030-S1032 WeakPolarHBondContact CE-OG 3.42Å
1031	N	38.3	Very low	38.3	Very low	160 Å²	160	162.8 Å²	162.8	86%	0.856	86%	0.859	S	S	*	*			trans	-149.3	137.2	146.2	-122.4	9.4	0	0	0	110.5
1032	S	37	Very low	38.4	Very low	76 Å²	76	159.7 Å²	159.7	53%	0.531	85%	0.854	S	S	.	*			trans	-153.5	115.8	-175	56.9	0	0	0	0	108.5	K1030	K1030-S1032 WeakPolarHBondContact CE-OG 3.42Å
1033	F	39.2	Very low	38.3	Very low	203 Å²	203	162.6 Å²	162.6	89%	0.89	86%	0.858	S	S	*	*			trans	-147.2	142.1	160.9	-84.4	-78.3	0	0	0	104.7
1034	G	38.5	Very low	38.5	Very low	70 Å²	70	159.3 Å²	159.3	72%	0.722	85%	0.854	S	S	*	*			cis	88.5	107.6	32.7	0	0	0	0	0	107.2
1035	G	37.3	Very low	38.5	Very low	84 Å²	84	163.4 Å²	163.4	87%	0.866	85%	0.854	S	S	*	*			cis	107.8	108.1	12.1	0	0	0	0	0	109
1036	E	35.8	Very low	38.4	Very low	192 Å²	192	160.1 Å²	160.1	90%	0.897	85%	0.851	S	S	*	*			trans	-147.6	139.5	-175	-166.3	166.1	-125.2	0	0	108.7
1037	P	45.4	Very low	38.6	Very low	120 Å²	120	152.8 Å²	152.8	78%	0.779	84%	0.844	S	S	*	*			trans	-101.3	152.9	-177.9	37.6	-32.9	0	0	0	113.7
1038	L	36.7	Very low	38.6	Very low	249 Å²	249	149.4 Å²	149.4	100%	1.304	85%	0.845	S	S	*	*			trans	-136.5	0	154	-92.1	171	0	0	0	108.2

Retrieved 1,038 of 1,038 residues in 1221.4 ms (Link to these results)

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