A0A060WA84_ONCMY Loading...

Vitellogenin domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WA84, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 887 aa.

						>A0A060WA84_ONCMY|A0A060WA84
MLALFVLLLCMTSSFSASNRGAGAAGPRLNNDRLYKFSYTTEVLVDRAKGSKDGSAGYRISSDVDVNLVWRDPSSKDDQLIQLVISNVKIKNVAPRSAKKNIFHGATTQSLLGEKKLAALERPFMVHLKNGKVSSFYCYKAEPASIKNLKRGVASLLQVQCRSGKVIENDVSGRCTVEYKAAQGQVTRTKALETCKTAETGFTTYIQVLGVSGESSSVTVFTLEDGFIKSAIAKETHILAVNARRTTAAKIVSRQSLTLVAIEAGPFEAAGKNVASVVKSLDEKLFAVGVAAEKVKSQCKGCQSLFEHWQAVQKQFEPDSLSKAIAPRSFLALIQSIRKASKDEILQVLKRSSKTALPQVVDAVTSSQTPDSLDAMLQFLNFADPKGLVLQERFLYACGFASHPNERMLQALVDISKGKIGSKDIKESVVIIMGAIVHKLCQKGGCELPTVVEVKKMILEGPDSTQVVSDIQMYLLALKNSLLPEAIPLFSKYAESEVGAYCTISLTALQRYDVALITDEVKQTVNRVYHQNRRVYEKNVRAAAADVVFSSNPSYMEVKNVLLSIGNLPKELNKYMLSKVKDILHFEMPASKILRQAMKDMISHNYDRFSKVGSSSAFSGFMARTADATTTYSLDILYSGSGVLRRSNMNIYGASNGALLHGLQVAIEAQGMESLIAAKPDEGEEDLESFAGMSALLFDVQLRPVTFFKGYSDLMSKMFSMSGEPMNVVKGLILLTDHSQVIQLQSGLKANAEFQGGLAIDISGGMEVSLWYRESKTSVNNRGAMVVTGNVTVDMDFVRTGMEVSFETEASLDFITTVQFSEYPFLVCMQMDKTTFPFSESLTKYESLPSGKSYVSRRGHKQLLPGSEFPLHQENSNMCKRVFDSDW
					

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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	46.3	Very low	36	Very low	229 Å²	229	137.5 Å²	137.5	100%	1.128	74%	0.741	S	S	*	*				0	0.4	0	-112.2	-162.7	-90.6	0	0	115.1
2	L	38	Very low	35.9	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	73%	0.732	S	S	*	*			trans	-105.1	-12.3	173.6	-106.6	121.3	0	0	0	114.9
3	A	34.3	Very low	35.5	Very low	85 Å²	85	131.5 Å²	131.5	70%	0.702	73%	0.726	S	S	*	*	H	α-helix	trans	-83	-18.5	178.2	0	0	0	0	0	114.1
4	L	36.6	Very low	35.2	Very low	136 Å²	136	129.1 Å²	129.1	71%	0.712	72%	0.723	S	S	*	*	H	α-helix	trans	-85.4	-17.1	178.6	-125.1	97.9	0	0	0	113.4
5	F	37.9	Very low	35	Very low	154 Å²	154	134.3 Å²	134.3	68%	0.675	74%	0.735	S	S	*	*	H	α-helix	trans	-84	-26.3	-178.5	-112.8	-88.5	0	0	0	113.1
6	V	38.6	Very low	34.7	Very low	99 Å²	99	133.4 Å²	133.4	60%	0.6	74%	0.741	S	S	*	*	H	α-helix	trans	-79.9	-27.9	-179.8	-178.1	0	0	0	0	111.8	L8	V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.5Å
7	L	34.3	Very low	34.4	Very low	142 Å²	142	131.4 Å²	131.4	74%	0.743	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-18.1	177.3	-120.3	124.1	0	0	0	113.8
8	L	35.8	Very low	34	Very low	130 Å²	130	130.1 Å²	130.1	68%	0.681	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-13	175.7	-101.2	134	0	0	0	113.8	V6	V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.5Å
9	L	32.6	Very low	33.8	Very low	119 Å²	119	130.9 Å²	130.9	62%	0.623	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-8.3	177.9	-86.3	154.6	0	0	0	114.2	T12	L9-T12 PolarHBondContact O-OG1 3.2Å
10	C	30.1	Very low	33.5	Very low	92 Å²	92	137.3 Å²	137.3	62%	0.622	76%	0.76	S	S	*	*	S	Bend	trans	-103	2	176.8	-78.8	0	0	0	0	115.1
11	M	32	Very low	33.2	Very low	172 Å²	172	134.5 Å²	134.5	85%	0.847	76%	0.762	S	S	*	*	S	Bend	trans	-94.6	3.7	169.8	-75.1	-79.4	-96.8	0	0	113
12	T	34.5	Very low	32.4	Very low	105 Å²	105	126 Å²	126	64%	0.644	73%	0.728	S	S	*	*	S	Bend	trans	-102.4	10	-178.6	47.1	0	0	0	0	115	L9	L9-T12 PolarHBondContact O-OG1 3.2Å
13	S	31.2	Very low	32.5	Very low	92 Å²	92	120.9 Å²	120.9	64%	0.643	71%	0.713	S	S	*	*	S	Bend	trans	-119.8	13.2	-176.2	58.2	0	0	0	0	116.4
14	S	31	Very low	33.2	Very low	98 Å²	98	118.2 Å²	118.2	69%	0.685	69%	0.691	S	S	*	*	S	Bend	trans	-136.6	30.6	-177.4	-50.8	0	0	0	0	115.5
15	F	31.1	Very low	34.5	Very low	206 Å²	206	113.4 Å²	113.4	90%	0.904	67%	0.671	S	S	*	*			trans	-146.2	53.8	161.4	-93.8	-79.1	0	0	0	110.5
16	S	31.3	Very low	35.8	Very low	120 Å²	120	106.4 Å²	106.4	84%	0.839	64%	0.643	S	S	*	*			trans	-115.5	67.5	168.3	-71.3	0	0	0	0	110.2
17	A	29.8	Very low	37.3	Very low	100 Å²	100	102 Å²	102	83%	0.826	62%	0.616	S	S	*	*			trans	-161.5	49	156.8	0	0	0	0	0	110.2
18	S	27.5	Very low	39.5	Very low	108 Å²	108	100.3 Å²	100.3	76%	0.755	60%	0.6	S	S	*	*	S	Bend	trans	-100.1	93.8	164.7	-179	0	0	0	0	108.6	R20	S18-R20 PolarHBondContact O-N 3.27Å
19	N	29	Very low	41.8	Very low	145 Å²	145	94.4 Å²	94.4	78%	0.775	57%	0.569	S	S	*	*			trans	1.7	77.5	162.9	-76.6	-23.8	0	0	0	117	G21	N19-G21 PolarHBondContact O-N 2.91Å
20	R	27.5	Very low	44.3	Very low	258 Å²	258	93.3 Å²	93.3	97%	0.974	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	94.1	146.3	-79.6	-175.4	175.4	-177.9	-0.3	106.8	S18	S18-R20 PolarHBondContact O-N 3.27Å
21	G	27.7	Very low	46.9	Very low	79 Å²	79	92.4 Å²	92.4	81%	0.814	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.8	13.8	176.6	0	0	0	0	0	118.2	N19	N19-G21 PolarHBondContact O-N 2.91Å
22	A	30.6	Very low	49.5	Very low	50 Å²	50	87.4 Å²	87.4	41%	0.413	53%	0.529	S	S	.	.			trans	-116.4	98	170.5	0	0	0	0	0	109.6	R162	A22-R162 PolarHBondContact O-NH1 3.13Å
23	G	38.9	Very low	52.2	Low	48 Å²	48	88.1 Å²	88.1	50%	0.495	52%	0.52	S	S	.	.			trans	-51.2	150.2	174	0	0	0	0	0	111.5	A25	G23-A25 PolarHBondContact O-N 2.73Å
24	A	49.8	Very low	55.1	Low	30 Å²	30	85.2 Å²	85.2	25%	0.248	50%	0.497	C	S	.	.			trans	-62.9	97.3	175.9	0	0	0	0	0	109.2	Q160	A24-Q160 HydrophobicContact CB-CG 4.15Å
25	A	62.4	Low	58	Low	34 Å²	34	80.8 Å²	80.8	28%	0.281	47%	0.466	S	S	.	.			trans	-67.3	133.6	178.2	0	0	0	0	0	110.2	G23 D77	G23-A25 PolarHBondContact O-N 2.73Å; A25-D77 WeakPolarHBondContact CB-OD1 3.4Å
26	G	67.3	Low	61	Low	8 Å²	8	74.1 Å²	74.1	8%	0.082	44%	0.436	C	S	.	.			trans	-91.8	-175.1	170.9	0	0	0	0	0	112.3	R28	G26-R28 PolarHBondContact O-N 3.18Å
27	P	69.3	Low	64.1	Low	6 Å²	6	68.5 Å²	68.5	4%	0.039	40%	0.397	C	S	.	.			trans	-60.6	134.7	178	23.3	-30.9	0	0	0	111.2	Q79 V159 F227 I228	P27-Q79 PolarHBondContact O-NE2 3.15Å; P27-V159 HydrophobicContact CG-CB 4.18Å; P27-F227 HydrophobicContact CB-CD2 3.99Å; P27-F227 HydrophobicContact CB-CE2 4.42Å; P27-I228 HydrophobicContact CB-CG1 4.38Å; P27-I228 HydrophobicContact CG-CD1 4.12Å; P27-I228 HydrophobicContact CG-CG1 4.22Å
28	R	81.2	Confident	67.3	Low	107 Å²	107	65.6 Å²	65.6	40%	0.404	37%	0.37	S	S	.	.			trans	-110.2	134.7	179.5	-64.5	179.6	-178.4	166.6	-1.5	109.3	G26 D77	G26-R28 PolarHBondContact O-N 3.18Å; R28-D77 IonicContact CZ-OD1 3.16Å; R28-D77 IonicContact CZ-OD2 3.89Å; R28-D77 IonicContact NE-OD1 2.76Å; R28-D77 PolarHBondContact NE-OD1 2.82Å; R28-D77 IonicContact NH2-OD1 2.77Å; R28-D77 PolarHBondContact NH2-OD1 3.1Å; R28-D77 IonicContact NH2-OD2 2.84Å; R28-D77 PolarHBondContact NH2-OD2 2.71Å
29	L	82.2	Confident	70.6	Confident	6 Å²	6	61 Å²	61	3%	0.031	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-85.1	137.4	174.5	-77	77.7	0	0	0	110.2	Y35 V66 L68 R71 I81 F227	L29-Y35 HydrophobicContact CB-CE2 4.1Å; L29-Y35 HydrophobicContact CD2-CD2 3.94Å; L29-Y35 HydrophobicContact CD2-CE2 4.04Å; L29-Y35 HydrophobicContact CG-CD2 4.33Å; L29-Y35 HydrophobicContact CG-CE2 4.03Å; L29-V66 HydrophobicContact CD2-CG1 3.77Å; L29-L68 HydrophobicContact CB-CB 4.26Å; L29-R71 PolarHBondContact O-NH2 2.9Å; L29-I81 HydrophobicContact CD1-CG2 3.86Å; L29-I81 HydrophobicContact CD2-CG2 3.96Å; L29-I81 HydrophobicContact CG-CG2 4.46Å; L29-F227 HydrophobicContact CD1-CE2 3.67Å; L29-F227 HydrophobicContact CD1-CZ 4.28Å; L29-F227 HydrophobicContact CG-CE2 3.73Å; L29-F227 HydrophobicContact CG-CZ 4.06Å
30	N	85.4	Confident	73.8	Confident	96 Å²	96	56.2 Å²	56.2	51%	0.513	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-65.8	147.7	170.2	-61.1	46	0	0	0	111.1	R33 Y35	N30-R33 HydrophobicContact CB-CB 4.34Å; N30-R33 HydrophobicContact CB-CG 3.85Å; N30-Y35 VanDerWaalsContact CB-OH 3.28Å; N30-Y35 WeakPolarHBondContact CB-OH 3.28Å; N30-Y35 PolarHBondContact N-OH 3.47Å; N30-Y35 PolarHBondContact OD1-OH 3.21Å; N30-Y35 VanDerWaalsContact OD1-OH 3.1Å
31	N	84.9	Confident	77	Confident	73 Å²	73	44 Å²	44	39%	0.39	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	147.3	175.9	-62	19.8	0	0	0	110.2	R33 R71 E268	N31-R33 WeakPolarHBondContact O-CG 3.47Å; N31-R33 PolarHBondContact O-N 2.85Å; N31-R71 PolarHBondContact OD1-NH1 3.13Å; N31-E268 PolarHBondContact ND2-OE1 2.77Å; N31-E268 PolarHBondContact OD1-OE1 2.84Å
32	D	86.8	Confident	80.2	Confident	67 Å²	67	41.3 Å²	41.3	36%	0.358	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	30	174.2	-43.6	-42.1	0	0	0	113.7	G265 F267	D32-G265 PolarHBondContact O-N 2.76Å; D32-F267 WeakPolarHBondContact OD1-CD1 3.35Å
33	R	90.4	Very high	83.2	Confident	120 Å²	120	39 Å²	39	45%	0.453	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.2	176.9	-66.6	-58.1	-173	151.8	-0.3	111.5	N30 N31 Y35 I262 E263	N30-R33 HydrophobicContact CB-CB 4.34Å; N30-R33 HydrophobicContact CB-CG 3.85Å; N31-R33 WeakPolarHBondContact O-CG 3.47Å; N31-R33 PolarHBondContact O-N 2.85Å; R33-Y35 HydrophobicContact CB-CD2 4.5Å; R33-Y35 HydrophobicContact CB-CE2 3.8Å; R33-I262 HydrophobicContact CB-CG2 4.12Å; R33-I262 HydrophobicContact CG-CG2 4.21Å; R33-E263 WeakPolarHBondContact CA-O 3.46Å
34	L	92.2	Very high	85.7	Confident	30 Å²	30	37 Å²	37	16%	0.157	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.8	170.7	-176.9	66.8	0	0	0	109.1	D65 N67 I262 E263	L34-D65 HydrophobicContact CD1-CB 4.05Å; L34-N67 HydrophobicContact CD1-CB 3.94Å; L34-I262 WeakPolarHBondContact O-CA 3.32Å; L34-E263 HydrophobicContact CB-CB 4.37Å; L34-E263 PolarHBondContact N-O 3.1Å; L34-E263 PolarHBondContact O-N 3.38Å
35	Y	92.4	Very high	87.7	Confident	6 Å²	6	35.6 Å²	35.6	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.5	177.9	-62.3	-98.9	0	0	0	109.1	L29 N30 R33 D65 V66 F227 L259 I262	L29-Y35 HydrophobicContact CB-CE2 4.1Å; L29-Y35 HydrophobicContact CD2-CD2 3.94Å; L29-Y35 HydrophobicContact CD2-CE2 4.04Å; L29-Y35 HydrophobicContact CG-CD2 4.33Å; L29-Y35 HydrophobicContact CG-CE2 4.03Å; N30-Y35 VanDerWaalsContact CB-OH 3.28Å; N30-Y35 WeakPolarHBondContact CB-OH 3.28Å; N30-Y35 PolarHBondContact N-OH 3.47Å; N30-Y35 PolarHBondContact OD1-OH 3.21Å; N30-Y35 VanDerWaalsContact OD1-OH 3.1Å; R33-Y35 HydrophobicContact CB-CD2 4.5Å; R33-Y35 HydrophobicContact CB-CE2 3.8Å; Y35-D65 WeakPolarHBondContact O-CA 3.36Å; Y35-V66 WeakPolarHBondContact CD2-O 3.47Å; Y35-V66 PolarHBondContact N-O 3.06Å; Y35-V66 PolarHBondContact O-N 3.16Å; Y35-F227 AromaticContact CD1-CD1 3.97Å; Y35-F227 HydrophobicContact CD1-CD1 3.97Å; Y35-F227 AromaticContact CD1-CE1 3.37Å; Y35-F227 HydrophobicContact CD1-CE1 3.37Å; Y35-F227 AromaticContact CD1-CZ 3.97Å; Y35-F227 HydrophobicContact CD1-CZ 3.97Å; Y35-F227 AromaticContact CE1-CD1 3.82Å; Y35-F227 HydrophobicContact CE1-CD1 3.82Å; Y35-F227 AromaticContact CE1-CE1 3.6Å; Y35-F227 HydrophobicContact CE1-CE1 3.6Å; Y35-F227 HydrophobicContact CE1-CG 4.47Å; Y35-F227 HydrophobicContact CE1-CZ 4.14Å; Y35-F227 AromaticContact CG-CE1 3.99Å; Y35-F227 HydrophobicContact CG-CE1 3.99Å; Y35-F227 HydrophobicContact CG-CZ 4.2Å; Y35-L259 HydrophobicContact CD1-CD1 3.98Å; Y35-L259 HydrophobicContact CG-CD1 4.5Å; Y35-I262 HydrophobicContact CD1-CD1 4.19Å; Y35-I262 HydrophobicContact CD1-CG1 3.98Å; Y35-I262 HydrophobicContact CE1-CD1 3.92Å; Y35-I262 HydrophobicContact CE1-CG1 4.17Å; Y35-I262 HydrophobicContact CE1-CG2 4.47Å
36	K	95.3	Very high	88.9	Confident	65 Å²	65	34.5 Å²	34.5	28%	0.283	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.5	177	-63.8	-165.4	170.7	164.2	0	110.1	D65 V260 A261 E263	K36-D65 WeakPolarHBondContact CG-OD1 3.46Å; K36-V260 PolarHBondContact O-N 3.08Å; K36-A261 HydrophobicContact CB-CB 4.45Å; K36-A261 PolarHBondContact N-O 3.24Å; K36-A261 PolarHBondContact O-N 2.94Å; K36-E263 VanDerWaalsContact CE-CD 3.47Å; K36-E263 WeakPolarHBondContact CE-OE1 3.46Å; K36-E263 WeakPolarHBondContact CE-OE2 3.11Å; K36-E263 IonicContact NZ-OE1 3.69Å; K36-E263 PolarHBondContact NZ-OE1 3.16Å; K36-E263 IonicContact NZ-OE2 2.75Å; K36-E263 PolarHBondContact NZ-OE2 3.36Å
37	F	95.6	Very high	89.7	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.4	176.6	-67.5	-93.1	0	0	0	111.4	D63 V64 V66 F227 I228 L257 T258 L259	F37-D63 CarbonylContact O-C 3.54Å; F37-D63 WeakPolarHBondContact O-CA 3.19Å; F37-V64 HydrophobicContact CB-CB 4.28Å; F37-V64 WeakPolarHBondContact CB-O 3.11Å; F37-V64 PolarHBondContact N-O 3.24Å; F37-V64 PolarHBondContact O-N 2.81Å; F37-V66 HydrophobicContact CD2-CB 4.49Å; F37-V66 HydrophobicContact CD2-CG2 3.85Å; F37-V66 HydrophobicContact CE2-CB 4.23Å; F37-V66 HydrophobicContact CE2-CG2 3.92Å; F37-F227 HydrophobicContact CE2-CE1 4.32Å; F37-F227 HydrophobicContact CE2-CZ 4.48Å; F37-F227 AromaticContact CZ-CE1 3.63Å; F37-F227 HydrophobicContact CZ-CE1 3.63Å; F37-F227 HydrophobicContact CZ-CZ 4.04Å; F37-I228 WeakPolarHBondContact CE1-O 3.48Å; F37-L257 HydrophobicContact CB-CD1 3.58Å; F37-L257 HydrophobicContact CB-CG 4.17Å; F37-L257 HydrophobicContact CD1-CD1 4.12Å; F37-L257 HydrophobicContact CD1-CD2 4.22Å; F37-L257 HydrophobicContact CD1-CG 3.74Å; F37-L257 HydrophobicContact CE1-CD2 4.45Å; F37-L257 HydrophobicContact CE1-CG 4.37Å; F37-L257 HydrophobicContact CG-CD1 3.99Å; F37-L257 HydrophobicContact CG-CG 4.12Å; F37-T258 CarbonylContact C-O 3.58Å; F37-T258 VanDerWaalsContact CA-O 3.28Å; F37-T258 WeakPolarHBondContact CA-O 3.05Å; F37-L259 HydrophobicContact CD1-CB 4.03Å; F37-L259 HydrophobicContact CD1-CD1 4.28Å; F37-L259 HydrophobicContact CD2-CD1 4.4Å; F37-L259 HydrophobicContact CE1-CB 3.79Å; F37-L259 HydrophobicContact CE1-CD1 3.98Å; F37-L259 HydrophobicContact CE1-CG 4.47Å; F37-L259 HydrophobicContact CE2-CD1 4.12Å; F37-L259 HydrophobicContact CG-CD1 4.49Å; F37-L259 HydrophobicContact CZ-CD1 3.91Å
38	S	97	Very high	90.1	Very high	39 Å²	39	40 Å²	40	27%	0.273	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.6	159.5	-170.1	0	0	0	0	108.8	L257 T258	S38-L257 WeakPolarHBondContact O-CA 3.25Å; S38-T258 PolarHBondContact N-O 2.87Å; S38-T258 PolarHBondContact O-N 2.9Å; S38-T258 PolarHBondContact O-OG1 3.34Å
39	Y	96.8	Very high	89.8	Confident	10 Å²	10	45.1 Å²	45.1	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.6	177.8	177.6	-113.8	0	0	0	110.7	T41 S61 S62 V64 V153 L156 Q255 S256 L257	Y39-T41 HydrophobicContact CE1-CG2 3.96Å; Y39-S61 CarbonylContact O-C 3.5Å; Y39-S61 WeakPolarHBondContact O-CA 3.36Å; Y39-S62 PolarHBondContact N-O 3.46Å; Y39-S62 PolarHBondContact O-N 2.65Å; Y39-S62 VanDerWaalsContact O-O 3.08Å; Y39-V64 HydrophobicContact CG-CG2 4.27Å; Y39-V153 HydrophobicContact CD1-CG2 3.94Å; Y39-V153 HydrophobicContact CD2-CG2 4.5Å; Y39-V153 HydrophobicContact CE1-CG2 3.54Å; Y39-V153 HydrophobicContact CE2-CG2 4.16Å; Y39-V153 HydrophobicContact CG-CG2 4.39Å; Y39-L156 HydrophobicContact CD2-CD1 4.38Å; Y39-L156 HydrophobicContact CE2-CD1 3.76Å; Y39-Q255 HydrophobicContact CE2-CB 4.17Å; Y39-Q255 HydrophobicContact CE2-CG 4.43Å; Y39-Q255 PolarHBondContact OH-NE2 3.48Å; Y39-S256 CarbonylContact C-O 3.45Å; Y39-S256 WeakPolarHBondContact CA-O 3.42Å; Y39-L257 HydrophobicContact CD2-CB 4.35Å; Y39-L257 HydrophobicContact CD2-CD1 4Å; Y39-L257 HydrophobicContact CG-CD1 4.37Å
40	T	96.4	Very high	89	Confident	45 Å²	45	46.5 Å²	46.5	28%	0.276	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.8	170.5	61.2	0	0	0	0	110.1	I60 Q255 S256	T40-I60 CarbonylContact C-O 3.55Å; T40-I60 WeakPolarHBondContact CA-O 3.36Å; T40-Q255 CarbonylContact O-C 3.56Å; T40-Q255 VanDerWaalsContact O-CA 3.27Å; T40-Q255 WeakPolarHBondContact O-CA 3.4Å; T40-S256 PolarHBondContact N-O 3.37Å; T40-S256 PolarHBondContact O-N 3.09Å; T40-S256 WeakPolarHBondContact OG1-CB 3.18Å
41	T	95.1	Very high	88	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.8	167.8	-177.7	0	0	0	0	109.2	Y39 R59 I60 R254 S746	Y39-T41 HydrophobicContact CE1-CG2 3.96Å; T41-R59 CarbonylContact O-C 3.58Å; T41-R59 WeakPolarHBondContact O-CA 3.46Å; T41-I60 HydrophobicContact CG2-CB 3.83Å; T41-I60 HydrophobicContact CG2-CG1 4.47Å; T41-I60 PolarHBondContact N-O 2.71Å; T41-I60 PolarHBondContact O-N 2.91Å; T41-R254 CarbonylContact C-O 3.58Å; T41-R254 VanDerWaalsContact CA-O 3.26Å; T41-R254 WeakPolarHBondContact CA-O 3.5Å; T41-S746 VanDerWaalsContact OG1-CB 3.23Å; T41-S746 WeakPolarHBondContact OG1-CB 3.39Å
42	E	93.8	Very high	87	Confident	22 Å²	22	47.1 Å²	47.1	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144	175.2	62.5	179.6	-158.5	0	0	110.5	Y58 R59 V93 S253 R254	E42-Y58 WeakPolarHBondContact CA-O 3.45Å; E42-R59 HydrophobicContact CB-CB 4.04Å; E42-R59 HydrophobicContact CB-CG 4.1Å; E42-R59 IonicContact OE2-CZ 3.6Å; E42-R59 VanDerWaalsContact OE2-CZ 3.24Å; E42-R59 IonicContact OE2-NE 2.6Å; E42-R59 PolarHBondContact OE2-NE 2.91Å; E42-R59 IonicContact OE2-NH2 3.84Å; E42-R59 PolarHBondContact OE2-NH2 3.22Å; E42-V93 HydrophobicContact CB-CG1 4.5Å; E42-V93 HydrophobicContact CB-CG2 4Å; E42-S253 WeakPolarHBondContact O-CA 3.28Å; E42-R254 HydrophobicContact CG-CB 3.81Å; E42-R254 PolarHBondContact N-O 2.9Å; E42-R254 PolarHBondContact O-N 3.22Å; E42-R254 WeakPolarHBondContact OE1-CD 3.39Å
43	V	93.8	Very high	85.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.8	173.8	69.3	0	0	0	0	109.8	G57 Y58 I251 V252 L744 L748 V793 T800	V43-G57 WeakPolarHBondContact O-CA 3.47Å; V43-Y58 HydrophobicContact CG1-CD1 4.21Å; V43-Y58 HydrophobicContact CG1-CD2 4.27Å; V43-Y58 HydrophobicContact CG1-CE1 3.87Å; V43-Y58 HydrophobicContact CG1-CE2 3.91Å; V43-Y58 HydrophobicContact CG1-CG 4.4Å; V43-Y58 PolarHBondContact N-O 2.75Å; V43-Y58 VanDerWaalsContact N-O 3.07Å; V43-Y58 PolarHBondContact O-N 3.34Å; V43-I251 HydrophobicContact CG2-CG2 4.14Å; V43-V252 CarbonylContact C-O 3.58Å; V43-V252 WeakPolarHBondContact CA-O 3.28Å; V43-L744 HydrophobicContact CG2-CD1 4.07Å; V43-L748 HydrophobicContact CB-CD1 3.96Å; V43-L748 HydrophobicContact CG1-CD1 3.98Å; V43-V793 HydrophobicContact CG1-CB 4.45Å; V43-V793 HydrophobicContact CG1-CG1 4.12Å; V43-V793 HydrophobicContact CG2-CB 4.29Å; V43-V793 HydrophobicContact CG2-CG1 4.03Å; V43-V793 HydrophobicContact CG2-CG2 3.83Å; V43-T800 HydrophobicContact CG1-CG2 4.4Å
44	L	92.4	Very high	84.9	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132	-177.6	-71.6	162.6	0	0	0	108.9	K52 V93 I251 V252	L44-K52 HydrophobicContact CD1-CG 4.47Å; L44-V93 HydrophobicContact CD1-CG1 4.26Å; L44-V93 HydrophobicContact CD2-CB 3.76Å; L44-V93 HydrophobicContact CD2-CG1 3.52Å; L44-V93 HydrophobicContact CD2-CG2 4.19Å; L44-V93 HydrophobicContact CG-CB 4.5Å; L44-V93 HydrophobicContact CG-CG1 4.01Å; L44-I251 CarbonylContact O-C 3.57Å; L44-I251 WeakPolarHBondContact O-CA 3.12Å; L44-V252 HydrophobicContact CB-CB 4.27Å; L44-V252 PolarHBondContact N-O 2.65Å; L44-V252 PolarHBondContact O-N 3.47Å
45	V	91	Very high	84.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.3	171.8	-171.4	0	0	0	0	109	A56 K250 V791 V793 T800 M802	V45-A56 PolarHBondContact N-O 2.9Å; V45-A56 PolarHBondContact O-N 3.04Å; V45-K250 WeakPolarHBondContact CA-O 3.3Å; V45-V791 HydrophobicContact CG1-CB 4.28Å; V45-V791 HydrophobicContact CG1-CG1 4.03Å; V45-V793 HydrophobicContact CG2-CG2 3.77Å; V45-T800 HydrophobicContact CG2-CG2 4.4Å; V45-M802 HydrophobicContact CG1-CB 3.54Å
46	D	87.9	Confident	84.2	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.059	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	175.3	178.7	-149.4	-22.8	0	0	0	112.2	S55 K250 M802 K844	D46-S55 WeakPolarHBondContact CB-OG 3.46Å; D46-S55 WeakPolarHBondContact OD2-CA 3.4Å; D46-S55 PolarHBondContact OD2-N 3.06Å; D46-S55 PolarHBondContact OD2-OG 2.91Å; D46-K250 PolarHBondContact N-O 2.83Å; D46-K250 WeakPolarHBondContact O-CA 3.39Å; D46-K250 WeakPolarHBondContact O-CB 3.41Å; D46-K250 PolarHBondContact O-N 2.97Å; D46-M802 VanDerWaalsContact C-CE 3.43Å; D46-M802 WeakPolarHBondContact O-CE 3.48Å; D46-K844 VanDerWaalsContact OD1-CE 3.24Å; D46-K844 WeakPolarHBondContact OD1-CE 3.28Å; D46-K844 IonicContact OD1-NZ 3.06Å; D46-K844 PolarHBondContact OD1-NZ 3.23Å; D46-K844 IonicContact OD2-NZ 2.75Å
47	R	84.5	Confident	83.9	Confident	94 Å²	94	41 Å²	41	36%	0.355	23%	0.227	S	C	.	.			trans	-62.7	155.3	164.6	-66.9	-178.2	171.5	-178.6	-3.9	109.9	K49 G50 M802 L842	R47-K49 VanDerWaalsContact C-N 3.28Å; R47-K49 PolarHBondContact O-N 2.9Å; R47-G50 PolarHBondContact O-N 2.93Å; R47-M802 HydrophobicContact CG-SD 4.19Å; R47-M802 PolarHBondContact N-SD 2.84Å; R47-M802 VanDerWaalsContact N-SD 3.45Å; R47-L842 HydrophobicContact CG-CD1 4.13Å; R47-L842 HydrophobicContact CG-CD2 4.15Å
48	A	77.9	Confident	83.7	Confident	34 Å²	34	41 Å²	41	28%	0.281	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-41.8	-178.9	0	0	0	0	0	114.2	I238 A248	A48-I238 HydrophobicContact CB-CG2 4.18Å; A48-A248 HydrophobicContact CB-CB 3.84Å
49	K	74.9	Confident	83.5	Confident	216 Å²	216	43.6 Å²	43.6	94%	0.939	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	17.9	176.9	-62.4	-175.2	178.9	179.7	0	113.9	R47	R47-K49 VanDerWaalsContact C-N 3.28Å; R47-K49 PolarHBondContact O-N 2.9Å
50	G	64.4	Low	83.3	Confident	35 Å²	35	43.6 Å²	43.6	36%	0.361	23%	0.231	S	C	.	.			trans	-74	157.6	-178.9	0	0	0	0	0	113.9	R47	R47-G50 PolarHBondContact O-N 2.93Å
51	S	65.2	Low	83.3	Confident	76 Å²	76	42.8 Å²	42.8	53%	0.531	23%	0.227	S	C	.	.			trans	-99.6	152.3	173.6	67.2	0	0	0	0	111.3	D53 G54 S55	S51-D53 PolarHBondContact O-N 2.94Å; S51-D53 VanDerWaalsContact O-N 3.16Å; S51-G54 PolarHBondContact O-N 2.73Å; S51-G54 VanDerWaalsContact O-N 3.13Å; S51-S55 PolarHBondContact O-N 3.48Å; S51-S55 PolarHBondContact O-OG 3.38Å
52	K	63.8	Low	83.3	Confident	105 Å²	105	42.9 Å²	42.9	46%	0.457	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-54.9	-35.5	-178.3	-74.3	-173.9	170.7	-167.6	0	113.9	L44 G54 S55	L44-K52 HydrophobicContact CD1-CG 4.47Å; K52-G54 VanDerWaalsContact C-N 3.25Å; K52-G54 PolarHBondContact O-N 3.34Å; K52-S55 PolarHBondContact O-N 3.23Å; K52-S55 PolarHBondContact O-OG 3.43Å
53	D	61.6	Low	83.4	Confident	125 Å²	125	44.7 Å²	44.7	67%	0.668	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-71.6	-22.4	-175.1	-54.1	-44.2	0	0	0	112.8	S51	S51-D53 PolarHBondContact O-N 2.94Å; S51-D53 VanDerWaalsContact O-N 3.16Å
54	G	70.8	Confident	83.6	Confident	28 Å²	28	44.7 Å²	44.7	29%	0.289	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-95.7	-5.7	177.5	0	0	0	0	0	114.6	S51 K52 K844	S51-G54 PolarHBondContact O-N 2.73Å; S51-G54 VanDerWaalsContact O-N 3.13Å; K52-G54 VanDerWaalsContact C-N 3.25Å; K52-G54 PolarHBondContact O-N 3.34Å; G54-K844 WeakPolarHBondContact O-CD 3.44Å; G54-K844 PolarHBondContact O-NZ 3.29Å
55	S	81.8	Confident	83.7	Confident	7 Å²	7	46.1 Å²	46.1	5%	0.049	25%	0.246	C	C	.	.			trans	-76.1	160.3	-173.7	-50.1	0	0	0	0	112.4	D46 S51 K52 R96	D46-S55 WeakPolarHBondContact CB-OG 3.46Å; D46-S55 WeakPolarHBondContact OD2-CA 3.4Å; D46-S55 PolarHBondContact OD2-N 3.06Å; D46-S55 PolarHBondContact OD2-OG 2.91Å; S51-S55 PolarHBondContact O-N 3.48Å; S51-S55 PolarHBondContact O-OG 3.38Å; K52-S55 PolarHBondContact O-N 3.23Å; K52-S55 PolarHBondContact O-OG 3.43Å; S55-R96 PolarHBondContact O-NH2 3.45Å
56	A	87.6	Confident	83.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.3	168.8	0	0	0	0	0	109.8	V45 K844 E846	V45-A56 PolarHBondContact N-O 2.9Å; V45-A56 PolarHBondContact O-N 3.04Å; A56-K844 HydrophobicContact CB-CB 4.17Å; A56-E846 WeakPolarHBondContact CA-OE1 3.49Å; A56-E846 HydrophobicContact CB-CG 4.04Å
57	G	90.4	Very high	84.1	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	172.5	-179	0	0	0	0	0	115.3	V43 V93 T800 E846	V43-G57 WeakPolarHBondContact O-CA 3.47Å; G57-V93 PolarHBondContact O-N 2.86Å; G57-T800 PolarHBondContact N-OG1 3.19Å; G57-E846 PolarHBondContact N-OE1 3.18Å; G57-E846 VanDerWaalsContact N-OE1 3.15Å
58	Y	90.9	Very high	84.4	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156	176.8	56.3	-95.3	0	0	0	111.9	E42 V43 I60 K91 V93 L748 M795 V798 T800	E42-Y58 WeakPolarHBondContact CA-O 3.45Å; V43-Y58 HydrophobicContact CG1-CD1 4.21Å; V43-Y58 HydrophobicContact CG1-CD2 4.27Å; V43-Y58 HydrophobicContact CG1-CE1 3.87Å; V43-Y58 HydrophobicContact CG1-CE2 3.91Å; V43-Y58 HydrophobicContact CG1-CG 4.4Å; V43-Y58 PolarHBondContact N-O 2.75Å; V43-Y58 VanDerWaalsContact N-O 3.07Å; V43-Y58 PolarHBondContact O-N 3.34Å; Y58-I60 HydrophobicContact CD2-CD1 4.47Å; Y58-I60 HydrophobicContact CD2-CG1 4.22Å; Y58-I60 HydrophobicContact CE2-CD1 4.27Å; Y58-I60 HydrophobicContact CE2-CG1 4.49Å; Y58-K91 CarbonylContact C-O 3.59Å; Y58-K91 WeakPolarHBondContact CA-O 3.34Å; Y58-V93 VanDerWaalsContact O-CG2 3.28Å; Y58-V93 WeakPolarHBondContact O-CG2 3.34Å; Y58-L748 HydrophobicContact CE2-CD1 4.2Å; Y58-M795 HydrophobicContact CE2-CE 3.52Å; Y58-M795 WeakPolarHBondContact OH-CE 3.38Å; Y58-V798 HydrophobicContact CD1-CB 4.38Å; Y58-V798 HydrophobicContact CD1-CG1 3.76Å; Y58-V798 HydrophobicContact CD1-CG2 3.66Å; Y58-V798 HydrophobicContact CD2-CG1 4.09Å; Y58-V798 HydrophobicContact CE1-CB 4.43Å; Y58-V798 HydrophobicContact CE1-CG1 3.57Å; Y58-V798 HydrophobicContact CE1-CG2 4.07Å; Y58-V798 HydrophobicContact CE2-CG1 3.94Å; Y58-V798 HydrophobicContact CG-CG1 4Å; Y58-V798 HydrophobicContact CG-CG2 4.21Å; Y58-T800 HydrophobicContact CD1-CG2 3.96Å; Y58-T800 HydrophobicContact CE1-CG2 3.7Å
59	R	92.8	Very high	85.1	Confident	92 Å²	92	40.7 Å²	40.7	35%	0.347	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.6	175.5	-178.1	-178	-62.9	153.8	3.1	109	T41 E42 I90 K91 V93	T41-R59 CarbonylContact O-C 3.58Å; T41-R59 WeakPolarHBondContact O-CA 3.46Å; E42-R59 HydrophobicContact CB-CB 4.04Å; E42-R59 HydrophobicContact CB-CG 4.1Å; E42-R59 IonicContact OE2-CZ 3.6Å; E42-R59 VanDerWaalsContact OE2-CZ 3.24Å; E42-R59 IonicContact OE2-NE 2.6Å; E42-R59 PolarHBondContact OE2-NE 2.91Å; E42-R59 IonicContact OE2-NH2 3.84Å; E42-R59 PolarHBondContact OE2-NH2 3.22Å; R59-I90 WeakPolarHBondContact O-CA 3.42Å; R59-K91 PolarHBondContact N-O 3.46Å; R59-K91 PolarHBondContact O-N 2.89Å; R59-V93 HydrophobicContact CB-CG2 4.18Å
60	I	92.9	Very high	85.8	Confident	11 Å²	11	30.7 Å²	30.7	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.4	169.9	-55.1	-179.6	0	0	0	107.2	T40 T41 Y58 V88 K89 I90 M795 F797	T40-I60 CarbonylContact C-O 3.55Å; T40-I60 WeakPolarHBondContact CA-O 3.36Å; T41-I60 HydrophobicContact CG2-CB 3.83Å; T41-I60 HydrophobicContact CG2-CG1 4.47Å; T41-I60 PolarHBondContact N-O 2.71Å; T41-I60 PolarHBondContact O-N 2.91Å; Y58-I60 HydrophobicContact CD2-CD1 4.47Å; Y58-I60 HydrophobicContact CD2-CG1 4.22Å; Y58-I60 HydrophobicContact CE2-CD1 4.27Å; Y58-I60 HydrophobicContact CE2-CG1 4.49Å; I60-V88 HydrophobicContact CG2-CG1 4.01Å; I60-K89 WeakPolarHBondContact CA-O 3.22Å; I60-I90 HydrophobicContact CG1-CG1 4.35Å; I60-M795 HydrophobicContact CD1-CE 3.36Å; I60-F797 HydrophobicContact CD1-CZ 4.42Å
61	S	94.9	Very high	87	Confident	27 Å²	27	31 Å²	31	19%	0.189	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.1	174.2	56.4	0	0	0	0	109.6	Y39 V88 K89	Y39-S61 CarbonylContact O-C 3.5Å; Y39-S61 WeakPolarHBondContact O-CA 3.36Å; S61-V88 CarbonylContact O-C 3.6Å; S61-V88 WeakPolarHBondContact O-CA 3.36Å; S61-K89 PolarHBondContact N-O 2.93Å; S61-K89 PolarHBondContact O-N 2.88Å; S61-K89 PolarHBondContact OG-O 2.6Å
62	S	96.2	Very high	88.1	Confident	6 Å²	6	28.9 Å²	28.9	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.5	179.1	62.3	0	0	0	0	110.3	Y39 S86	Y39-S62 PolarHBondContact N-O 3.46Å; Y39-S62 PolarHBondContact O-N 2.65Å; Y39-S62 VanDerWaalsContact O-O 3.08Å; S62-S86 WeakPolarHBondContact CA-O 3.18Å; S62-S86 WeakPolarHBondContact CB-O 3.32Å
63	D	96.8	Very high	89	Confident	59 Å²	59	29.2 Å²	29.2	32%	0.316	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147	165.6	-56.5	-36.1	0	0	0	108.3	F37 I85 S86 N87	F37-D63 CarbonylContact O-C 3.54Å; F37-D63 WeakPolarHBondContact O-CA 3.19Å; D63-I85 CarbonylContact O-C 3.55Å; D63-I85 WeakPolarHBondContact O-CA 3.3Å; D63-S86 PolarHBondContact N-O 2.8Å; D63-S86 PolarHBondContact O-N 3Å; D63-N87 WeakPolarHBondContact OD2-CB 3.13Å; D63-N87 PolarHBondContact OD2-ND2 3.17Å
64	V	96.6	Very high	90	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	112.8	-178.9	-175.6	0	0	0	0	108.9	F37 Y39 V66 L83 V84 I85 V153	F37-V64 HydrophobicContact CB-CB 4.28Å; F37-V64 WeakPolarHBondContact CB-O 3.11Å; F37-V64 PolarHBondContact N-O 3.24Å; F37-V64 PolarHBondContact O-N 2.81Å; Y39-V64 HydrophobicContact CG-CG2 4.27Å; V64-V66 HydrophobicContact CG1-CG2 4.01Å; V64-L83 HydrophobicContact CG1-CD2 4.33Å; V64-V84 CarbonylContact C-O 3.55Å; V64-V84 WeakPolarHBondContact CA-O 3.38Å; V64-I85 HydrophobicContact CG2-CG1 4.26Å; V64-V153 HydrophobicContact CG1-CG1 4.18Å; V64-V153 HydrophobicContact CG2-CG1 4.43Å
65	D	95.3	Very high	90.5	Very high	37 Å²	37	28.7 Å²	28.7	20%	0.198	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.2	175.6	-66.6	-18	0	0	0	108.8	L34 Y35 K36 L83 V84	L34-D65 HydrophobicContact CD1-CB 4.05Å; Y35-D65 WeakPolarHBondContact O-CA 3.36Å; K36-D65 WeakPolarHBondContact CG-OD1 3.46Å; D65-L83 CarbonylContact O-C 3.56Å; D65-L83 VanDerWaalsContact O-CA 3.27Å; D65-L83 WeakPolarHBondContact O-CA 3.47Å; D65-V84 HydrophobicContact CB-CB 4.35Å; D65-V84 PolarHBondContact N-O 2.95Å; D65-V84 PolarHBondContact O-N 2.87Å
66	V	93.8	Very high	90.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	127.5	179.5	-169.2	0	0	0	0	109.7	L29 Y35 F37 V64 I81 Q82 L83 L157	L29-V66 HydrophobicContact CD2-CG1 3.77Å; Y35-V66 WeakPolarHBondContact CD2-O 3.47Å; Y35-V66 PolarHBondContact N-O 3.06Å; Y35-V66 PolarHBondContact O-N 3.16Å; F37-V66 HydrophobicContact CD2-CB 4.49Å; F37-V66 HydrophobicContact CD2-CG2 3.85Å; F37-V66 HydrophobicContact CE2-CB 4.23Å; F37-V66 HydrophobicContact CE2-CG2 3.92Å; V64-V66 HydrophobicContact CG1-CG2 4.01Å; V66-I81 HydrophobicContact CG1-CB 4.42Å; V66-I81 HydrophobicContact CG1-CD1 4.1Å; V66-Q82 WeakPolarHBondContact CA-O 3.13Å; V66-L83 HydrophobicContact CG1-CG 4.35Å; V66-L83 HydrophobicContact CG2-CD2 4.26Å; V66-L83 HydrophobicContact CG2-CG 4.17Å; V66-L157 HydrophobicContact CG1-CD1 4.47Å
67	N	92.9	Very high	90.2	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.8	175.3	67.1	-74.7	0	0	0	111.6	L34 I81 Q82 P266	L34-N67 HydrophobicContact CD1-CB 3.94Å; N67-I81 WeakPolarHBondContact O-CA 3.5Å; N67-Q82 PolarHBondContact N-O 2.83Å; N67-Q82 VanDerWaalsContact N-O 3.12Å; N67-Q82 PolarHBondContact O-N 2.8Å; N67-P266 HydrophobicContact CB-CG 4.31Å; N67-P266 VanDerWaalsContact ND2-CG 3.28Å; N67-P266 WeakPolarHBondContact ND2-CG 3.39Å
68	L	91.7	Very high	90.1	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.2	170.2	-174.5	66.3	0	0	0	109.1	L29 Q79 I81 E268	L29-L68 HydrophobicContact CB-CB 4.26Å; L68-Q79 HydrophobicContact CD1-CB 3.8Å; L68-I81 HydrophobicContact CD1-CG2 4.39Å; L68-E268 HydrophobicContact CD2-CG 4.15Å; L68-E268 HydrophobicContact CG-CG 4.41Å
69	V	91.1	Very high	90.1	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-40.7	176.8	176.6	0	0	0	0	110.7	L80 Q82 E268 A269 V277 L281	V69-L80 HydrophobicContact CB-CD2 4.29Å; V69-L80 HydrophobicContact CB-CG 4.32Å; V69-L80 WeakPolarHBondContact CB-O 3.4Å; V69-L80 HydrophobicContact CG1-CD2 4.03Å; V69-L80 PolarHBondContact N-O 2.91Å; V69-Q82 HydrophobicContact CG2-CB 3.32Å; V69-E268 WeakPolarHBondContact O-CA 3.47Å; V69-A269 PolarHBondContact O-N 3.42Å; V69-V277 HydrophobicContact CG1-CG1 4.37Å; V69-L281 HydrophobicContact CG1-CD1 3.29Å
70	W	91.5	Very high	90	Very high	6 Å²	6	32.5 Å²	32.5	2%	0.023	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	147.7	-178.4	170	89.4	0	0	0	110.4	D72 Q79 L80 G271 V274 V277	W70-D72 VanDerWaalsContact CH2-CA 3.41Å; W70-D72 HydrophobicContact CH2-CB 3.4Å; W70-D72 VanDerWaalsContact CH2-CB 3.4Å; W70-D72 VanDerWaalsContact CZ2-CA 3.49Å; W70-D72 HydrophobicContact CZ2-CB 3.96Å; W70-D72 HydrophobicContact CZ3-CB 3.94Å; W70-Q79 WeakPolarHBondContact O-CA 3.48Å; W70-L80 HydrophobicContact CB-CB 4.12Å; W70-L80 HydrophobicContact CB-CD2 4.5Å; W70-L80 HydrophobicContact CE3-CB 4.15Å; W70-L80 PolarHBondContact N-O 3.09Å; W70-L80 PolarHBondContact O-N 2.73Å; W70-G271 PolarHBondContact NE1-O 3.32Å; W70-V274 HydrophobicContact CD2-CG2 4.49Å; W70-V274 HydrophobicContact CE3-CG2 3.65Å; W70-V274 HydrophobicContact CH2-CG2 3.58Å; W70-V274 HydrophobicContact CZ2-CG2 4.43Å; W70-V274 HydrophobicContact CZ3-CB 4.48Å; W70-V274 HydrophobicContact CZ3-CG2 3.15Å; W70-V277 HydrophobicContact CB-CG1 4Å; W70-V277 HydrophobicContact CG-CG1 4.35Å; W70-V277 HydrophobicContact CG-CG2 4.04Å
71	R	89.3	Confident	90	Very high	43 Å²	43	32 Å²	32	16%	0.162	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.4	170.3	178.1	171.7	-74.4	147	6.3	109.7	L29 N31 P73	L29-R71 PolarHBondContact O-NH2 2.9Å; N31-R71 PolarHBondContact OD1-NH1 3.13Å; R71-P73 WeakPolarHBondContact O-CD 3.5Å
72	D	87.3	Confident	90	Very high	31 Å²	31	32.9 Å²	32.9	17%	0.166	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	123.9	176.7	-168.7	-24.4	0	0	0	110.3	W70 S74 S75 D78	W70-D72 VanDerWaalsContact CH2-CA 3.41Å; W70-D72 HydrophobicContact CH2-CB 3.4Å; W70-D72 VanDerWaalsContact CH2-CB 3.4Å; W70-D72 VanDerWaalsContact CZ2-CA 3.49Å; W70-D72 HydrophobicContact CZ2-CB 3.96Å; W70-D72 HydrophobicContact CZ3-CB 3.94Å; D72-S74 PolarHBondContact O-N 3.23Å; D72-S74 VanDerWaalsContact O-N 3.15Å; D72-S74 WeakPolarHBondContact OD1-CB 3.19Å; D72-S74 PolarHBondContact OD1-N 2.71Å; D72-S74 PolarHBondContact OD1-OG 3.3Å; D72-S74 PolarHBondContact OD2-OG 3.38Å; D72-S74 VanDerWaalsContact OD2-OG 3.1Å; D72-S75 CarbonylContact O-C 3.46Å; D72-S75 PolarHBondContact O-N 3.15Å; D72-D78 HydrophobicContact CB-CB 3.78Å; D72-D78 PolarHBondContact N-O 3.28Å
73	P	83.2	Confident	89.9	Confident	112 Å²	112	32.6 Å²	32.6	73%	0.727	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.7	174.4	-24.8	34.6	0	0	0	113.4	R71	R71-P73 WeakPolarHBondContact O-CD 3.5Å
74	S	82.9	Confident	89.8	Confident	103 Å²	103	31.5 Å²	31.5	72%	0.72	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-19.1	-179.2	72.7	0	0	0	0	114.1	D72	D72-S74 PolarHBondContact O-N 3.23Å; D72-S74 VanDerWaalsContact O-N 3.15Å; D72-S74 WeakPolarHBondContact OD1-CB 3.19Å; D72-S74 PolarHBondContact OD1-N 2.71Å; D72-S74 PolarHBondContact OD1-OG 3.3Å; D72-S74 PolarHBondContact OD2-OG 3.38Å; D72-S74 VanDerWaalsContact OD2-OG 3.1Å
75	S	81.7	Confident	89.8	Confident	39 Å²	39	31.7 Å²	31.7	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	115.9	-175.9	178.2	0	0	0	0	112.3	D72 D77 D78	D72-S75 CarbonylContact O-C 3.46Å; D72-S75 PolarHBondContact O-N 3.15Å; S75-D77 PolarHBondContact O-N 3.06Å; S75-D77 VanDerWaalsContact O-N 3.16Å; S75-D77 PolarHBondContact OG-N 3.42Å; S75-D78 PolarHBondContact O-N 2.88Å
76	K	79.5	Confident	89.7	Confident	147 Å²	147	31.3 Å²	31.3	64%	0.639	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	-13.8	177.7	-64.1	-171.6	178.2	-176.1	0	114.3
77	D	82.3	Confident	89.7	Confident	27 Å²	27	35.9 Å²	35.9	14%	0.144	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	1.7	179.3	-70.7	-50.6	0	0	0	113.6	A25 R28 S75 K129 N130	A25-D77 WeakPolarHBondContact CB-OD1 3.4Å; R28-D77 IonicContact CZ-OD1 3.16Å; R28-D77 IonicContact CZ-OD2 3.89Å; R28-D77 IonicContact NE-OD1 2.76Å; R28-D77 PolarHBondContact NE-OD1 2.82Å; R28-D77 IonicContact NH2-OD1 2.77Å; R28-D77 PolarHBondContact NH2-OD1 3.1Å; R28-D77 IonicContact NH2-OD2 2.84Å; R28-D77 PolarHBondContact NH2-OD2 2.71Å; S75-D77 PolarHBondContact O-N 3.06Å; S75-D77 VanDerWaalsContact O-N 3.16Å; S75-D77 PolarHBondContact OG-N 3.42Å; D77-K129 WeakPolarHBondContact O-CA 3.42Å; D77-N130 WeakPolarHBondContact CB-OD1 3.47Å; D77-N130 PolarHBondContact O-N 2.94Å
78	D	89.3	Confident	89.6	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.032	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	105.5	176.4	-162.4	-36.5	0	0	0	108.1	D72 S75 H127 K129	D72-D78 HydrophobicContact CB-CB 3.78Å; D72-D78 PolarHBondContact N-O 3.28Å; S75-D78 PolarHBondContact O-N 2.88Å; D78-H127 IonicContact OD1-CD2 3.54Å; D78-H127 PolarHBondContact OD1-CD2 3.46Å; D78-H127 IonicContact OD1-CE1 2.64Å; D78-H127 IonicContact OD1-NE2 3.09Å; D78-H127 PolarHBondContact OD1-NE2 3.04Å; D78-H127 IonicContact OD2-NE2 2.78Å; D78-K129 WeakPolarHBondContact OD2-CE 3.49Å; D78-K129 IonicContact OD2-NZ 2.76Å; D78-K129 PolarHBondContact OD2-NZ 3.15Å
79	Q	90.1	Very high	89.6	Confident	2 Å²	2	41 Å²	41	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.2	-170.5	62.3	-173	-34.3	0	0	111.8	P27 L68 W70 L128	P27-Q79 PolarHBondContact O-NE2 3.15Å; L68-Q79 HydrophobicContact CD1-CB 3.8Å; W70-Q79 WeakPolarHBondContact O-CA 3.48Å; Q79-L128 HydrophobicContact CG-CB 3.95Å; Q79-L128 PolarHBondContact N-O 2.88Å; Q79-L128 PolarHBondContact O-N 2.9Å
80	L	91.8	Very high	89.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.3	170.4	-176.7	69.2	0	0	0	108.2	V69 W70 M125 H127 Y137 V274 V277 V278	V69-L80 HydrophobicContact CB-CD2 4.29Å; V69-L80 HydrophobicContact CB-CG 4.32Å; V69-L80 WeakPolarHBondContact CB-O 3.4Å; V69-L80 HydrophobicContact CG1-CD2 4.03Å; V69-L80 PolarHBondContact N-O 2.91Å; W70-L80 HydrophobicContact CB-CB 4.12Å; W70-L80 HydrophobicContact CB-CD2 4.5Å; W70-L80 HydrophobicContact CE3-CB 4.15Å; W70-L80 PolarHBondContact N-O 3.09Å; W70-L80 PolarHBondContact O-N 2.73Å; L80-M125 HydrophobicContact CD1-CB 3.93Å; L80-M125 HydrophobicContact CD2-SD 4.08Å; L80-M125 HydrophobicContact CG-CB 4.44Å; L80-H127 HydrophobicContact CD1-CB 4.08Å; L80-Y137 HydrophobicContact CD1-CD2 4.31Å; L80-Y137 HydrophobicContact CD1-CE2 4.24Å; L80-V274 HydrophobicContact CD1-CG1 3.97Å; L80-V274 HydrophobicContact CD2-CG1 4.26Å; L80-V277 HydrophobicContact CD2-CG1 4.18Å; L80-V278 HydrophobicContact CD1-CG2 4.3Å; L80-V278 HydrophobicContact CD2-CG2 3.71Å
81	I	92.3	Very high	89.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149	176.4	60.6	167.7	0	0	0	110.2	L29 V66 N67 L68 L83 M125 V126 L128 L157	L29-I81 HydrophobicContact CD1-CG2 3.86Å; L29-I81 HydrophobicContact CD2-CG2 3.96Å; L29-I81 HydrophobicContact CG-CG2 4.46Å; V66-I81 HydrophobicContact CG1-CB 4.42Å; V66-I81 HydrophobicContact CG1-CD1 4.1Å; N67-I81 WeakPolarHBondContact O-CA 3.5Å; L68-I81 HydrophobicContact CD1-CG2 4.39Å; I81-L83 HydrophobicContact CD1-CD1 3.95Å; I81-L83 HydrophobicContact CG1-CD1 4.03Å; I81-M125 CarbonylContact O-C 3.54Å; I81-M125 VanDerWaalsContact O-CA 3.22Å; I81-M125 WeakPolarHBondContact O-CA 3.5Å; I81-V126 HydrophobicContact CD1-CB 4.28Å; I81-V126 HydrophobicContact CG1-CB 3.91Å; I81-V126 VanDerWaalsContact CG1-O 3.32Å; I81-V126 WeakPolarHBondContact CG1-O 3.38Å; I81-V126 PolarHBondContact N-O 3.06Å; I81-V126 PolarHBondContact O-N 2.86Å; I81-L128 HydrophobicContact CD1-CD1 3.67Å; I81-L128 HydrophobicContact CD1-CG 4.42Å; I81-L128 HydrophobicContact CG1-CD1 4.2Å; I81-L157 HydrophobicContact CD1-CD1 3.46Å; I81-L157 VanDerWaalsContact CD1-CD1 3.46Å
82	Q	94	Very high	89.1	Confident	45 Å²	45	45.4 Å²	45.4	21%	0.21	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.2	171.4	171.2	175.3	-4.7	0	0	109.3	V66 N67 V69 V84 P123 F124 M125	V66-Q82 WeakPolarHBondContact CA-O 3.13Å; N67-Q82 PolarHBondContact N-O 2.83Å; N67-Q82 VanDerWaalsContact N-O 3.12Å; N67-Q82 PolarHBondContact O-N 2.8Å; V69-Q82 HydrophobicContact CG2-CB 3.32Å; Q82-V84 HydrophobicContact CG-CG2 4.47Å; Q82-P123 HydrophobicContact CG-CB 4.19Å; Q82-P123 VanDerWaalsContact NE2-CB 3.31Å; Q82-F124 WeakPolarHBondContact CA-O 3.17Å; Q82-M125 HydrophobicContact CB-CG 4.31Å
83	L	94.7	Very high	88.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.9	175.9	-62.3	88.7	0	0	0	109.7	V64 D65 V66 I81 P123 F124 V126 V153 L157	V64-L83 HydrophobicContact CG1-CD2 4.33Å; D65-L83 CarbonylContact O-C 3.56Å; D65-L83 VanDerWaalsContact O-CA 3.27Å; D65-L83 WeakPolarHBondContact O-CA 3.47Å; V66-L83 HydrophobicContact CG1-CG 4.35Å; V66-L83 HydrophobicContact CG2-CD2 4.26Å; V66-L83 HydrophobicContact CG2-CG 4.17Å; I81-L83 HydrophobicContact CD1-CD1 3.95Å; I81-L83 HydrophobicContact CG1-CD1 4.03Å; L83-P123 WeakPolarHBondContact O-CA 3.35Å; L83-F124 HydrophobicContact CB-CD1 4.19Å; L83-F124 HydrophobicContact CB-CD2 4.24Å; L83-F124 HydrophobicContact CB-CE1 3.68Å; L83-F124 HydrophobicContact CB-CE2 3.74Å; L83-F124 HydrophobicContact CB-CG 4.46Å; L83-F124 HydrophobicContact CB-CZ 3.45Å; L83-F124 VanDerWaalsContact CB-CZ 3.45Å; L83-F124 HydrophobicContact CD1-CD2 4.24Å; L83-F124 HydrophobicContact CD1-CE2 3.85Å; L83-F124 HydrophobicContact CD1-CZ 4.39Å; L83-F124 HydrophobicContact CD2-CE2 3.89Å; L83-F124 HydrophobicContact CD2-CZ 3.77Å; L83-F124 HydrophobicContact CG-CE2 4.05Å; L83-F124 HydrophobicContact CG-CZ 4.09Å; L83-F124 PolarHBondContact N-O 2.92Å; L83-F124 WeakPolarHBondContact O-CD1 3.45Å; L83-F124 PolarHBondContact O-N 2.87Å; L83-V126 HydrophobicContact CD1-CB 4.14Å; L83-V126 HydrophobicContact CD1-CG2 3.57Å; L83-V153 HydrophobicContact CD2-CG1 4.14Å; L83-L157 HydrophobicContact CD1-CD1 4.45Å; L83-L157 HydrophobicContact CD2-CD1 3.7Å; L83-L157 HydrophobicContact CG-CD1 4.37Å
84	V	95.7	Very high	88.6	Confident	37 Å²	37	40 Å²	40	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.4	172.7	-175.4	0	0	0	0	108.4	V64 D65 Q82 P123	V64-V84 CarbonylContact C-O 3.55Å; V64-V84 WeakPolarHBondContact CA-O 3.38Å; D65-V84 HydrophobicContact CB-CB 4.35Å; D65-V84 PolarHBondContact N-O 2.95Å; D65-V84 PolarHBondContact O-N 2.87Å; Q82-V84 HydrophobicContact CG-CG2 4.47Å; V84-P123 HydrophobicContact CG2-CB 3.94Å
85	I	95.5	Very high	88.2	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.4	174.6	-61.7	172.1	0	0	0	107.3	D63 V64 V88 L120 E121 F124 K150 V153	D63-I85 CarbonylContact O-C 3.55Å; D63-I85 WeakPolarHBondContact O-CA 3.3Å; V64-I85 HydrophobicContact CG2-CG1 4.26Å; I85-V88 HydrophobicContact CG2-CG2 3.78Å; I85-L120 HydrophobicContact CD1-CD1 4.01Å; I85-L120 HydrophobicContact CG2-CG 4.44Å; I85-E121 VanDerWaalsContact O-CA 3.24Å; I85-E121 WeakPolarHBondContact O-CA 3.46Å; I85-F124 HydrophobicContact CD1-CE1 3.99Å; I85-F124 HydrophobicContact CD1-CZ 4.45Å; I85-F124 HydrophobicContact CG1-CE1 4.11Å; I85-K150 HydrophobicContact CD1-CG 4.23Å; I85-V153 HydrophobicContact CD1-CG2 4.29Å
86	S	94	Very high	88.1	Confident	29 Å²	29	41.2 Å²	41.2	20%	0.203	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	171.3	179.3	64.2	0	0	0	0	111.5	S62 D63 V88	S62-S86 WeakPolarHBondContact CA-O 3.18Å; S62-S86 WeakPolarHBondContact CB-O 3.32Å; D63-S86 PolarHBondContact N-O 2.8Å; D63-S86 PolarHBondContact O-N 3Å; S86-V88 VanDerWaalsContact C-N 3.27Å; S86-V88 PolarHBondContact O-N 2.96Å; S86-V88 VanDerWaalsContact O-N 3.15Å
87	N	92.2	Very high	88	Confident	98 Å²	98	37.7 Å²	37.7	52%	0.524	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.8	38	175.3	-65.3	-32.8	0	0	0	114.7	D63 K89	D63-N87 WeakPolarHBondContact OD2-CB 3.13Å; D63-N87 PolarHBondContact OD2-ND2 3.17Å; N87-K89 PolarHBondContact O-N 3.43Å
88	V	91.6	Very high	87.6	Confident	8 Å²	8	39.2 Å²	39.2	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.6	-176.4	-175.6	0	0	0	0	110.7	I60 S61 I85 S86 T108 L112 L117 L120	I60-V88 HydrophobicContact CG2-CG1 4.01Å; S61-V88 CarbonylContact O-C 3.6Å; S61-V88 WeakPolarHBondContact O-CA 3.36Å; I85-V88 HydrophobicContact CG2-CG2 3.78Å; S86-V88 VanDerWaalsContact C-N 3.27Å; S86-V88 PolarHBondContact O-N 2.96Å; S86-V88 VanDerWaalsContact O-N 3.15Å; V88-T108 HydrophobicContact CB-CG2 4.18Å; V88-T108 HydrophobicContact CG1-CG2 4.16Å; V88-T108 WeakPolarHBondContact O-CB 3.47Å; V88-T108 VanDerWaalsContact O-CG2 3.31Å; V88-T108 WeakPolarHBondContact O-CG2 3.47Å; V88-T108 PolarHBondContact O-OG1 3.01Å; V88-L112 HydrophobicContact CG1-CD1 4.49Å; V88-L117 HydrophobicContact CB-CD1 4.38Å; V88-L120 HydrophobicContact CB-CD2 4.46Å; V88-L120 HydrophobicContact CG1-CD2 4Å; V88-L120 HydrophobicContact CG2-CD2 3.82Å; V88-L120 HydrophobicContact CG2-CG 4.35Å
89	K	91.5	Very high	86.9	Confident	113 Å²	113	49.2 Å²	49.2	49%	0.491	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.1	177.1	-64.9	169.8	-172.5	169.7	0	109.7	I60 S61 N87	I60-K89 WeakPolarHBondContact CA-O 3.22Å; S61-K89 PolarHBondContact N-O 2.93Å; S61-K89 PolarHBondContact O-N 2.88Å; S61-K89 PolarHBondContact OG-O 2.6Å; N87-K89 PolarHBondContact O-N 3.43Å
90	I	89.3	Confident	86.4	Confident	13 Å²	13	55 Å²	55	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.1	178.9	-52.9	171.9	0	0	0	108.3	R59 I60 F103 L111 L112 F797	R59-I90 WeakPolarHBondContact O-CA 3.42Å; I60-I90 HydrophobicContact CG1-CG1 4.35Å; I90-F103 HydrophobicContact CB-CE1 4.45Å; I90-F103 HydrophobicContact CG2-CD1 4.19Å; I90-F103 HydrophobicContact CG2-CE1 3.55Å; I90-F103 HydrophobicContact CG2-CE2 4.36Å; I90-F103 HydrophobicContact CG2-CZ 3.66Å; I90-L111 HydrophobicContact CB-CD1 4.2Å; I90-L111 HydrophobicContact CD1-CB 4.45Å; I90-L111 HydrophobicContact CD1-CD1 4.21Å; I90-L112 HydrophobicContact CD1-CD1 4.38Å; I90-L112 HydrophobicContact CD1-CG 4.27Å; I90-F797 HydrophobicContact CD1-CD2 3.96Å; I90-F797 HydrophobicContact CD1-CE2 3.64Å
91	K	88.3	Confident	86	Confident	120 Å²	120	57.2 Å²	57.2	52%	0.522	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	160.6	-177.7	-61.9	-177.6	-179.3	179.7	0	110.6	Y58 R59	Y58-K91 CarbonylContact C-O 3.59Å; Y58-K91 WeakPolarHBondContact CA-O 3.34Å; R59-K91 PolarHBondContact N-O 3.46Å; R59-K91 PolarHBondContact O-N 2.89Å
92	N	85.1	Confident	85.6	Confident	17 Å²	17	58 Å²	58	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	147.4	166.5	-56.5	93.2	0	0	0	109.9	A94 R96 N101 F103 E846	N92-A94 WeakPolarHBondContact CB-O 3.48Å; N92-R96 HydrophobicContact CB-CG 4.26Å; N92-N101 VanDerWaalsContact OD1-CG 3.24Å; N92-N101 PolarHBondContact OD1-OD1 2.87Å; N92-F103 WeakPolarHBondContact OD1-CD2 3.28Å; N92-E846 PolarHBondContact ND2-OE2 3Å
93	V	82.3	Confident	85.1	Confident	24 Å²	24	56.7 Å²	56.7	15%	0.145	30%	0.297	C	S	.	.	S	Bend	trans	-75.2	-42.9	173.2	-171.4	0	0	0	0	110.9	E42 L44 G57 Y58 R59	E42-V93 HydrophobicContact CB-CG1 4.5Å; E42-V93 HydrophobicContact CB-CG2 4Å; L44-V93 HydrophobicContact CD1-CG1 4.26Å; L44-V93 HydrophobicContact CD2-CB 3.76Å; L44-V93 HydrophobicContact CD2-CG1 3.52Å; L44-V93 HydrophobicContact CD2-CG2 4.19Å; L44-V93 HydrophobicContact CG-CB 4.5Å; L44-V93 HydrophobicContact CG-CG1 4.01Å; G57-V93 PolarHBondContact O-N 2.86Å; Y58-V93 VanDerWaalsContact O-CG2 3.28Å; Y58-V93 WeakPolarHBondContact O-CG2 3.34Å; R59-V93 HydrophobicContact CB-CG2 4.18Å
94	A	77.3	Confident	84.5	Confident	6 Å²	6	62.7 Å²	62.7	5%	0.05	33%	0.325	C	S	.	.	S	Bend	trans	-89.6	137.4	175.3	0	0	0	0	0	110.2	N92 R96	N92-A94 WeakPolarHBondContact CB-O 3.48Å; A94-R96 PolarHBondContact O-N 2.74Å
95	P	74.1	Confident	83.6	Confident	120 Å²	120	64.7 Å²	64.7	78%	0.779	35%	0.353	S	S	*	.			trans	-60.9	126.1	174.2	23.6	-30.4	0	0	0	110
96	R	78.4	Confident	82.8	Confident	48 Å²	48	66.2 Å²	66.2	18%	0.181	37%	0.366	C	S	.	.			trans	-118.5	146	178.2	-59	-59.2	-167.7	-160.8	-4.3	109.6	S55 N92 A94 K100 N101 E846 Y854	S55-R96 PolarHBondContact O-NH2 3.45Å; N92-R96 HydrophobicContact CB-CG 4.26Å; A94-R96 PolarHBondContact O-N 2.74Å; R96-K100 HydrophobicContact CB-CB 4.34Å; R96-N101 HydrophobicContact CB-CB 4.1Å; R96-E846 IonicContact CZ-OE1 3.14Å; R96-E846 IonicContact NE-OE1 3.39Å; R96-E846 IonicContact NH2-OE1 2.89Å; R96-E846 PolarHBondContact NH2-OE1 2.72Å; R96-Y854 PolarHBondContact NH1-OH 3.17Å
97	S	78.3	Confident	82.3	Confident	73 Å²	73	68.9 Å²	68.9	51%	0.51	38%	0.382	S	S	.	.			trans	-63.3	155.4	167.5	62.9	0	0	0	0	110.5	K99 K100 N101	S97-K99 PolarHBondContact O-N 3.12Å; S97-K99 VanDerWaalsContact O-N 3.1Å; S97-K100 CarbonylContact O-C 3.59Å; S97-K100 PolarHBondContact O-N 3.29Å; S97-N101 PolarHBondContact O-N 2.98Å
98	A	74	Confident	81.8	Confident	59 Å²	59	65.7 Å²	65.7	49%	0.488	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-51.5	-39.6	-175.9	0	0	0	0	0	113.4	K100 N101	A98-K100 VanDerWaalsContact C-N 3.29Å; A98-K100 PolarHBondContact O-N 3.25Å; A98-N101 PolarHBondContact O-N 2.83Å
99	K	75.1	Confident	81.4	Confident	216 Å²	216	70.4 Å²	70.4	94%	0.939	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-67.4	-22.7	177.8	-66.8	-175.1	179.5	-179.6	0	114.7	S97	S97-K99 PolarHBondContact O-N 3.12Å; S97-K99 VanDerWaalsContact O-N 3.1Å
100	K	79.4	Confident	80.9	Confident	122 Å²	122	68.7 Å²	68.7	53%	0.53	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-108.2	-2.4	-176.6	-68.7	179	176.1	178.9	0	112.7	R96 S97 A98 Y854	R96-K100 HydrophobicContact CB-CB 4.34Å; S97-K100 CarbonylContact O-C 3.59Å; S97-K100 PolarHBondContact O-N 3.29Å; A98-K100 VanDerWaalsContact C-N 3.29Å; A98-K100 PolarHBondContact O-N 3.25Å; K100-Y854 HydrophobicContact CB-CD2 4.07Å; K100-Y854 HydrophobicContact CB-CE2 4.27Å; K100-Y854 HydrophobicContact CD-CE2 4.2Å; K100-Y854 HydrophobicContact CG-CD2 4.39Å; K100-Y854 HydrophobicContact CG-CE2 4.4Å
101	N	83.1	Confident	80.5	Confident	47 Å²	47	69.1 Å²	69.1	25%	0.251	39%	0.392	S	S	.	.			trans	-87.7	108.4	178.3	178.7	-14.3	0	0	0	109.1	N92 R96 S97 A98 F103 H104	N92-N101 VanDerWaalsContact OD1-CG 3.24Å; N92-N101 PolarHBondContact OD1-OD1 2.87Å; R96-N101 HydrophobicContact CB-CB 4.1Å; S97-N101 PolarHBondContact O-N 2.98Å; A98-N101 PolarHBondContact O-N 2.83Å; N101-F103 PolarHBondContact O-N 2.84Å; N101-F103 WeakPolarHBondContact OD1-CA 3.4Å; N101-F103 WeakPolarHBondContact OD1-CB 3.28Å; N101-F103 PolarHBondContact OD1-N 2.9Å; N101-H104 HydrophobicContact CB-CB 4.06Å; N101-H104 WeakPolarHBondContact O-CB 3.39Å; N101-H104 PolarHBondContact O-N 2.95Å; N101-H104 PolarHBondContact OD1-N 3.13Å
102	I	83.6	Confident	80.1	Confident	19 Å²	19	63.9 Å²	63.9	10%	0.097	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.4	179.3	60.1	163.9	0	0	0	113.4	V798 E846 L848	I102-V798 HydrophobicContact CD1-CG2 4.36Å; I102-E846 HydrophobicContact CD1-CB 3.77Å; I102-L848 HydrophobicContact CB-CD1 4.44Å; I102-L848 HydrophobicContact CB-CG 4.44Å; I102-L848 HydrophobicContact CD1-CD2 4.23Å; I102-L848 HydrophobicContact CD1-CG 4.2Å; I102-L848 WeakPolarHBondContact O-CD1 3.07Å
103	F	84.5	Confident	80.1	Confident	17 Å²	17	64.6 Å²	64.6	8%	0.075	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	2.7	179.2	-51.4	-69.3	0	0	0	113	I90 N92 N101 G105 A106 L111 V798 L848	I90-F103 HydrophobicContact CB-CE1 4.45Å; I90-F103 HydrophobicContact CG2-CD1 4.19Å; I90-F103 HydrophobicContact CG2-CE1 3.55Å; I90-F103 HydrophobicContact CG2-CE2 4.36Å; I90-F103 HydrophobicContact CG2-CZ 3.66Å; N92-F103 WeakPolarHBondContact OD1-CD2 3.28Å; N101-F103 PolarHBondContact O-N 2.84Å; N101-F103 WeakPolarHBondContact OD1-CA 3.4Å; N101-F103 WeakPolarHBondContact OD1-CB 3.28Å; N101-F103 PolarHBondContact OD1-N 2.9Å; F103-G105 PolarHBondContact O-N 2.96Å; F103-A106 PolarHBondContact O-N 2.88Å; F103-A106 VanDerWaalsContact O-N 3.09Å; F103-L111 HydrophobicContact CD1-CD1 3.68Å; F103-L111 HydrophobicContact CD1-CD2 4.09Å; F103-L111 HydrophobicContact CE1-CD1 4.2Å; F103-V798 HydrophobicContact CE1-CG2 4.36Å; F103-V798 HydrophobicContact CZ-CG2 4.03Å; F103-L848 HydrophobicContact CD1-CD2 4.33Å; F103-L848 HydrophobicContact CE1-CD2 3.84Å
104	H	82	Confident	80.2	Confident	125 Å²	125	70.3 Å²	70.3	58%	0.579	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	119.3	-178.5	-176.3	-78.9	0	0	0	110.9	N101 A106	N101-H104 HydrophobicContact CB-CB 4.06Å; N101-H104 WeakPolarHBondContact O-CB 3.39Å; N101-H104 PolarHBondContact O-N 2.95Å; N101-H104 PolarHBondContact OD1-N 3.13Å; H104-A106 PolarHBondContact O-N 3.11Å
105	G	75.9	Confident	80.7	Confident	79 Å²	79	79 Å²	79	81%	0.814	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	0.9	-177.6	0	0	0	0	0	114.7	F103	F103-G105 PolarHBondContact O-N 2.96Å
106	A	79.7	Confident	81.3	Confident	37 Å²	37	75.8 Å²	75.8	31%	0.306	42%	0.416	S	S	.	.			trans	-89.6	132.7	175.3	0	0	0	0	0	110.8	F103 H104 L111	F103-A106 PolarHBondContact O-N 2.88Å; F103-A106 VanDerWaalsContact O-N 3.09Å; H104-A106 PolarHBondContact O-N 3.11Å; A106-L111 HydrophobicContact CB-CD1 4.27Å; A106-L111 HydrophobicContact CB-CD2 3.83Å; A106-L111 HydrophobicContact CB-CG 3.99Å
107	T	82.6	Confident	81.8	Confident	86 Å²	86	74.6 Å²	74.6	53%	0.528	41%	0.413	S	S	.	.			trans	-89.4	156	170	63.3	0	0	0	0	110.5	Q109 S110 L111	T107-Q109 PolarHBondContact O-N 3.22Å; T107-S110 PolarHBondContact N-OG 3.45Å; T107-S110 PolarHBondContact O-N 3.06Å; T107-S110 PolarHBondContact O-OG 3.42Å; T107-S110 PolarHBondContact OG1-N 2.9Å; T107-S110 PolarHBondContact OG1-OG 2.83Å; T107-L111 WeakPolarHBondContact O-CG 3.35Å; T107-L111 PolarHBondContact O-N 2.84Å; T107-L111 VanDerWaalsContact O-N 3.11Å
108	T	81.4	Confident	82.4	Confident	30 Å²	30	73 Å²	73	18%	0.184	41%	0.405	C	S	.	.	H	α-helix	trans	-54.3	-38.8	175.9	-55.3	0	0	0	0	112.3	V88 L111 L112 L117	V88-T108 HydrophobicContact CB-CG2 4.18Å; V88-T108 HydrophobicContact CG1-CG2 4.16Å; V88-T108 WeakPolarHBondContact O-CB 3.47Å; V88-T108 VanDerWaalsContact O-CG2 3.31Å; V88-T108 WeakPolarHBondContact O-CG2 3.47Å; V88-T108 PolarHBondContact O-OG1 3.01Å; T108-L111 PolarHBondContact O-N 2.86Å; T108-L112 HydrophobicContact CG2-CD1 3.63Å; T108-L112 PolarHBondContact O-N 2.86Å; T108-L117 HydrophobicContact CG2-CD1 3.92Å; T108-L117 HydrophobicContact CG2-CD2 4.43Å
109	Q	82.7	Confident	83.2	Confident	107 Å²	107	70.4 Å²	70.4	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-39.3	176	-171.3	178.4	0.6	0	0	112.6	T107 L111 G113 L117	T107-Q109 PolarHBondContact O-N 3.22Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 2.89Å; Q109-G113 WeakPolarHBondContact O-CA 3.17Å; Q109-G113 PolarHBondContact O-N 2.8Å; Q109-L117 HydrophobicContact CB-CD2 4.04Å; Q109-L117 HydrophobicContact CG-CD2 4.48Å
110	S	81.5	Confident	84	Confident	77 Å²	77	60.5 Å²	60.5	54%	0.538	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-29.7	174.8	69.8	0	0	0	0	113.7	T107	T107-S110 PolarHBondContact N-OG 3.45Å; T107-S110 PolarHBondContact O-N 3.06Å; T107-S110 PolarHBondContact O-OG 3.42Å; T107-S110 PolarHBondContact OG1-N 2.9Å; T107-S110 PolarHBondContact OG1-OG 2.83Å
111	L	81.3	Confident	84.6	Confident	23 Å²	23	58.3 Å²	58.3	12%	0.12	33%	0.332	C	S	.	.	H	α-helix	trans	-81.1	-50.8	-178.9	-65.5	170.3	0	0	0	111.9	I90 F103 A106 T107 T108 Q109 F797 L848	I90-L111 HydrophobicContact CB-CD1 4.2Å; I90-L111 HydrophobicContact CD1-CB 4.45Å; I90-L111 HydrophobicContact CD1-CD1 4.21Å; F103-L111 HydrophobicContact CD1-CD1 3.68Å; F103-L111 HydrophobicContact CD1-CD2 4.09Å; F103-L111 HydrophobicContact CE1-CD1 4.2Å; A106-L111 HydrophobicContact CB-CD1 4.27Å; A106-L111 HydrophobicContact CB-CD2 3.83Å; A106-L111 HydrophobicContact CB-CG 3.99Å; T107-L111 WeakPolarHBondContact O-CG 3.35Å; T107-L111 PolarHBondContact O-N 2.84Å; T107-L111 VanDerWaalsContact O-N 3.11Å; T108-L111 PolarHBondContact O-N 2.86Å; Q109-L111 VanDerWaalsContact C-N 3.31Å; Q109-L111 PolarHBondContact O-N 2.89Å; L111-F797 WeakPolarHBondContact O-CB 3.47Å; L111-L848 HydrophobicContact CD2-CD1 3.56Å; L111-L848 HydrophobicContact CD2-CD2 3.77Å; L111-L848 HydrophobicContact CD2-CG 4.31Å
112	L	79.9	Confident	85.1	Confident	9 Å²	9	61.5 Å²	61.5	5%	0.047	34%	0.341	C	S	.	.	H	α-helix	trans	-82.4	-27.1	-177.3	-74.1	167.2	0	0	0	112.6	V88 I90 T108 K116 L117 L120 F797	V88-L112 HydrophobicContact CG1-CD1 4.49Å; I90-L112 HydrophobicContact CD1-CD1 4.38Å; I90-L112 HydrophobicContact CD1-CG 4.27Å; T108-L112 HydrophobicContact CG2-CD1 3.63Å; T108-L112 PolarHBondContact O-N 2.86Å; L112-K116 HydrophobicContact CB-CB 4.31Å; L112-K116 VanDerWaalsContact O-CB 3.3Å; L112-K116 WeakPolarHBondContact O-CB 3.28Å; L112-K116 WeakPolarHBondContact O-CD 3.14Å; L112-K116 WeakPolarHBondContact O-CG 3.33Å; L112-L117 HydrophobicContact CB-CB 4.29Å; L112-L117 HydrophobicContact CD1-CB 4.47Å; L112-L117 HydrophobicContact CD1-CD1 3.99Å; L112-L120 HydrophobicContact CD1-CD2 4.43Å; L112-F797 HydrophobicContact CD2-CB 4.36Å; L112-F797 HydrophobicContact CD2-CD1 3.29Å; L112-F797 HydrophobicContact CD2-CD2 3.84Å; L112-F797 HydrophobicContact CD2-CE1 3.27Å; L112-F797 HydrophobicContact CD2-CE2 3.84Å; L112-F797 HydrophobicContact CD2-CG 3.55Å; L112-F797 HydrophobicContact CD2-CZ 3.54Å; L112-F797 HydrophobicContact CG-CG 4.44Å
113	G	84.3	Confident	85.5	Confident	32 Å²	32	62.4 Å²	62.4	33%	0.33	35%	0.348	S	S	.	.			trans	75.4	154.2	-163.4	0	0	0	0	0	111.9	Q109 K115 K116 L117	Q109-G113 WeakPolarHBondContact O-CA 3.17Å; Q109-G113 PolarHBondContact O-N 2.8Å; G113-K115 PolarHBondContact O-N 2.87Å; G113-K116 PolarHBondContact O-N 3.4Å; G113-L117 PolarHBondContact O-N 2.81Å; G113-L117 VanDerWaalsContact O-N 3.07Å
114	E	85.4	Confident	86	Confident	144 Å²	144	61.6 Å²	61.6	67%	0.673	35%	0.345	S	S	*	.	H	α-helix	trans	-57.1	-45.1	-174.8	-169.2	-179.1	-176.5	0	0	112.8	K116 A118	E114-K116 PolarHBondContact O-N 3.5Å; E114-A118 VanDerWaalsContact O-CB 3.28Å; E114-A118 WeakPolarHBondContact O-CB 2.99Å; E114-A118 PolarHBondContact O-N 2.85Å
115	K	87.6	Confident	86.6	Confident	190 Å²	190	56.1 Å²	56.1	83%	0.826	32%	0.319	S	S	*	.	H	α-helix	trans	-62.6	-39.2	-179.1	-67.6	-175	179.4	-179.7	0	113.3	G113 A119	G113-K115 PolarHBondContact O-N 2.87Å; K115-A119 WeakPolarHBondContact O-CB 3.22Å; K115-A119 PolarHBondContact O-N 2.88Å; K115-A119 VanDerWaalsContact O-N 3.08Å
116	K	87.1	Confident	87.4	Confident	51 Å²	51	52.4 Å²	52.4	22%	0.222	28%	0.281	C	S	.	.	H	α-helix	trans	-81.4	-36.4	-176.7	-58.6	-168.4	-177.1	-172.9	0	111.9	L112 G113 E114 A119 L120 P143 I146 D796	L112-K116 HydrophobicContact CB-CB 4.31Å; L112-K116 VanDerWaalsContact O-CB 3.3Å; L112-K116 WeakPolarHBondContact O-CB 3.28Å; L112-K116 WeakPolarHBondContact O-CD 3.14Å; L112-K116 WeakPolarHBondContact O-CG 3.33Å; G113-K116 PolarHBondContact O-N 3.4Å; E114-K116 PolarHBondContact O-N 3.5Å; K116-A119 PolarHBondContact O-N 3.03Å; K116-L120 WeakPolarHBondContact O-CB 3.48Å; K116-L120 PolarHBondContact O-N 3.33Å; K116-P143 HydrophobicContact CG-CG 4.42Å; K116-I146 HydrophobicContact CB-CD1 4.36Å; K116-I146 HydrophobicContact CB-CG1 4.44Å; K116-D796 IonicContact NZ-OD2 3.81Å; K116-D796 PolarHBondContact NZ-OD2 3.06Å
117	L	89.2	Confident	87.9	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.12	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-49.8	173.3	-178.5	57.2	0	0	0	110.2	V88 T108 Q109 L112 G113 A119 L120 E121	V88-L117 HydrophobicContact CB-CD1 4.38Å; T108-L117 HydrophobicContact CG2-CD1 3.92Å; T108-L117 HydrophobicContact CG2-CD2 4.43Å; Q109-L117 HydrophobicContact CB-CD2 4.04Å; Q109-L117 HydrophobicContact CG-CD2 4.48Å; L112-L117 HydrophobicContact CB-CB 4.29Å; L112-L117 HydrophobicContact CD1-CB 4.47Å; L112-L117 HydrophobicContact CD1-CD1 3.99Å; G113-L117 PolarHBondContact O-N 2.81Å; G113-L117 VanDerWaalsContact O-N 3.07Å; L117-A119 VanDerWaalsContact C-N 3.26Å; L117-A119 PolarHBondContact O-N 2.63Å; L117-L120 PolarHBondContact O-N 3.39Å; L117-E121 HydrophobicContact CD1-CG 4.12Å; L117-E121 WeakPolarHBondContact CD1-OE1 3.27Å; L117-E121 WeakPolarHBondContact O-CG 3.34Å; L117-E121 PolarHBondContact O-N 2.99Å
118	A	90.2	Very high	88.3	Confident	40 Å²	40	47.4 Å²	47.4	33%	0.331	25%	0.245	S	C	.	.	H	α-helix	trans	-59.5	-36.9	175.2	0	0	0	0	0	112.4	E114 R122	E114-A118 VanDerWaalsContact O-CB 3.28Å; E114-A118 WeakPolarHBondContact O-CB 2.99Å; E114-A118 PolarHBondContact O-N 2.85Å; A118-R122 VanDerWaalsContact O-CG 3.27Å; A118-R122 WeakPolarHBondContact O-CG 3.36Å; A118-R122 PolarHBondContact O-N 2.83Å; A118-R122 VanDerWaalsContact O-N 3.11Å
119	A	91.6	Very high	88.6	Confident	5 Å²	5	50.7 Å²	50.7	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-38.2	173.9	0	0	0	0	0	112.7	K115 K116 L117 E142 I146 K150	K115-A119 WeakPolarHBondContact O-CB 3.22Å; K115-A119 PolarHBondContact O-N 2.88Å; K115-A119 VanDerWaalsContact O-N 3.08Å; K116-A119 PolarHBondContact O-N 3.03Å; L117-A119 VanDerWaalsContact C-N 3.26Å; L117-A119 PolarHBondContact O-N 2.63Å; A119-E142 HydrophobicContact CB-CG 4.01Å; A119-I146 HydrophobicContact CB-CG2 4.24Å; A119-K150 WeakPolarHBondContact O-CE 3.48Å; A119-K150 PolarHBondContact O-NZ 2.77Å
120	L	91	Very high	88.7	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-69.8	-37.9	178.8	-176.5	59.5	0	0	0	111.7	I85 V88 L112 K116 L117 R122 I146 L149 K150	I85-L120 HydrophobicContact CD1-CD1 4.01Å; I85-L120 HydrophobicContact CG2-CG 4.44Å; V88-L120 HydrophobicContact CB-CD2 4.46Å; V88-L120 HydrophobicContact CG1-CD2 4Å; V88-L120 HydrophobicContact CG2-CD2 3.82Å; V88-L120 HydrophobicContact CG2-CG 4.35Å; L112-L120 HydrophobicContact CD1-CD2 4.43Å; K116-L120 WeakPolarHBondContact O-CB 3.48Å; K116-L120 PolarHBondContact O-N 3.33Å; L117-L120 PolarHBondContact O-N 3.39Å; L120-R122 VanDerWaalsContact C-N 3.34Å; L120-I146 HydrophobicContact CB-CG2 3.98Å; L120-I146 HydrophobicContact CD1-CG2 4.05Å; L120-L149 HydrophobicContact CD1-CB 4.44Å; L120-L149 HydrophobicContact CD1-CD1 4.48Å; L120-K150 HydrophobicContact CD1-CG 4.48Å; L120-K150 WeakPolarHBondContact O-CE 3.46Å
121	E	92.6	Very high	88.7	Confident	75 Å²	75	45 Å²	45	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-81.3	-12.3	-178.8	-64.6	177.1	158.3	0	0	113.7	I85 L117	I85-E121 VanDerWaalsContact O-CA 3.24Å; I85-E121 WeakPolarHBondContact O-CA 3.46Å; L117-E121 HydrophobicContact CD1-CG 4.12Å; L117-E121 WeakPolarHBondContact CD1-OE1 3.27Å; L117-E121 WeakPolarHBondContact O-CG 3.34Å; L117-E121 PolarHBondContact O-N 2.99Å
122	R	92.9	Very high	89	Confident	114 Å²	114	46.1 Å²	46.1	43%	0.43	23%	0.228	S	C	.	.	S	Bend	trans	-64.1	138.3	174.3	-89.8	173.6	-161.2	-179.7	3.2	112.1	A118 L120 Y139 K150	A118-R122 VanDerWaalsContact O-CG 3.27Å; A118-R122 WeakPolarHBondContact O-CG 3.36Å; A118-R122 PolarHBondContact O-N 2.83Å; A118-R122 VanDerWaalsContact O-N 3.11Å; L120-R122 VanDerWaalsContact C-N 3.34Å; R122-Y139 HydrophobicContact CB-CD2 4.22Å; R122-Y139 HydrophobicContact CB-CE2 4.09Å; R122-Y139 HydrophobicContact CG-CE2 4.36Å; R122-K150 PolarHBondContact O-NZ 3.23Å
123	P	93.1	Very high	89.3	Confident	39 Å²	39	46.4 Å²	46.4	25%	0.253	23%	0.23	S	C	.	.			trans	-58	147.1	175.9	24.4	-33.4	0	0	0	111.4	Q82 L83 V84 Y139	Q82-P123 HydrophobicContact CG-CB 4.19Å; Q82-P123 VanDerWaalsContact NE2-CB 3.31Å; L83-P123 WeakPolarHBondContact O-CA 3.35Å; V84-P123 HydrophobicContact CG2-CB 3.94Å; P123-Y139 WeakPolarHBondContact O-CE2 3.48Å
124	F	94.3	Very high	89.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.8	170.4	63.3	-83	0	0	0	109.4	Q82 L83 I85 V126 F136 Y137 K150 A154	Q82-F124 WeakPolarHBondContact CA-O 3.17Å; L83-F124 HydrophobicContact CB-CD1 4.19Å; L83-F124 HydrophobicContact CB-CD2 4.24Å; L83-F124 HydrophobicContact CB-CE1 3.68Å; L83-F124 HydrophobicContact CB-CE2 3.74Å; L83-F124 HydrophobicContact CB-CG 4.46Å; L83-F124 HydrophobicContact CB-CZ 3.45Å; L83-F124 VanDerWaalsContact CB-CZ 3.45Å; L83-F124 HydrophobicContact CD1-CD2 4.24Å; L83-F124 HydrophobicContact CD1-CE2 3.85Å; L83-F124 HydrophobicContact CD1-CZ 4.39Å; L83-F124 HydrophobicContact CD2-CE2 3.89Å; L83-F124 HydrophobicContact CD2-CZ 3.77Å; L83-F124 HydrophobicContact CG-CE2 4.05Å; L83-F124 HydrophobicContact CG-CZ 4.09Å; L83-F124 PolarHBondContact N-O 2.92Å; L83-F124 WeakPolarHBondContact O-CD1 3.45Å; L83-F124 PolarHBondContact O-N 2.87Å; I85-F124 HydrophobicContact CD1-CE1 3.99Å; I85-F124 HydrophobicContact CD1-CZ 4.45Å; I85-F124 HydrophobicContact CG1-CE1 4.11Å; F124-V126 HydrophobicContact CD2-CG2 4.23Å; F124-V126 HydrophobicContact CE2-CG2 4.19Å; F124-F136 HydrophobicContact CD2-CD2 4.38Å; F124-F136 AromaticContact CD2-CE2 3.45Å; F124-F136 HydrophobicContact CD2-CE2 3.45Å; F124-F136 VanDerWaalsContact CD2-CE2 3.45Å; F124-F136 AromaticContact CD2-CZ 3.88Å; F124-F136 HydrophobicContact CD2-CZ 3.88Å; F124-F136 AromaticContact CE2-CE2 3.8Å; F124-F136 HydrophobicContact CE2-CE2 3.8Å; F124-F136 HydrophobicContact CE2-CZ 4.44Å; F124-F136 HydrophobicContact CG-CE2 4.38Å; F124-F136 HydrophobicContact CG-CZ 4.4Å; F124-Y137 WeakPolarHBondContact CB-O 2.95Å; F124-K150 HydrophobicContact CB-CD 4.27Å; F124-K150 HydrophobicContact CD1-CB 4.24Å; F124-K150 HydrophobicContact CD1-CD 3.56Å; F124-K150 HydrophobicContact CD1-CG 3.9Å; F124-K150 HydrophobicContact CD2-CB 4.39Å; F124-K150 HydrophobicContact CE1-CB 3.99Å; F124-K150 HydrophobicContact CE1-CD 3.98Å; F124-K150 HydrophobicContact CE1-CG 3.76Å; F124-K150 HydrophobicContact CE2-CB 4.15Å; F124-K150 HydrophobicContact CG-CB 4.41Å; F124-K150 HydrophobicContact CG-CD 3.95Å; F124-K150 HydrophobicContact CG-CG 4.45Å; F124-K150 HydrophobicContact CZ-CB 3.93Å; F124-K150 HydrophobicContact CZ-CG 4.21Å; F124-A154 HydrophobicContact CE2-CB 4.36Å
125	M	93.5	Very high	89.7	Confident	10 Å²	10	43 Å²	43	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.2	-175.5	-56.1	174.8	-177.6	0	0	111.5	L80 I81 Q82 Y137 V278 L281 L285	L80-M125 HydrophobicContact CD1-CB 3.93Å; L80-M125 HydrophobicContact CD2-SD 4.08Å; L80-M125 HydrophobicContact CG-CB 4.44Å; I81-M125 CarbonylContact O-C 3.54Å; I81-M125 VanDerWaalsContact O-CA 3.22Å; I81-M125 WeakPolarHBondContact O-CA 3.5Å; Q82-M125 HydrophobicContact CB-CG 4.31Å; M125-Y137 HydrophobicContact CB-CD2 4.38Å; M125-Y137 PolarHBondContact N-O 2.89Å; M125-Y137 PolarHBondContact O-N 2.65Å; M125-V278 HydrophobicContact SD-CG2 4.12Å; M125-L281 HydrophobicContact CE-CB 4.05Å; M125-L281 HydrophobicContact CE-CD1 3.58Å; M125-L281 HydrophobicContact CE-CG 4.42Å; M125-L281 HydrophobicContact SD-CD1 4.17Å; M125-L285 HydrophobicContact CE-CD1 3.75Å; M125-L285 HydrophobicContact SD-CD1 3.97Å
126	V	92.8	Very high	89.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.8	179.2	-177.3	0	0	0	0	108.1	I81 L83 F124 L128 V133 F136 A154	I81-V126 HydrophobicContact CD1-CB 4.28Å; I81-V126 HydrophobicContact CG1-CB 3.91Å; I81-V126 VanDerWaalsContact CG1-O 3.32Å; I81-V126 WeakPolarHBondContact CG1-O 3.38Å; I81-V126 PolarHBondContact N-O 3.06Å; I81-V126 PolarHBondContact O-N 2.86Å; L83-V126 HydrophobicContact CD1-CB 4.14Å; L83-V126 HydrophobicContact CD1-CG2 3.57Å; F124-V126 HydrophobicContact CD2-CG2 4.23Å; F124-V126 HydrophobicContact CE2-CG2 4.19Å; V126-L128 HydrophobicContact CG1-CD2 3.96Å; V126-L128 HydrophobicContact CG1-CG 4.15Å; V126-V133 HydrophobicContact CG1-CB 4.46Å; V126-V133 HydrophobicContact CG1-CG1 3.95Å; V126-V133 HydrophobicContact CG1-CG2 3.87Å; V126-F136 HydrophobicContact CG2-CD2 4.06Å; V126-F136 HydrophobicContact CG2-CE2 4.43Å; V126-A154 HydrophobicContact CG2-CB 3.72Å
127	H	91.9	Very high	90	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.6	174.8	175.1	-147.9	0	0	0	108.9	D78 L80 S134 S135 Y137 V274	D78-H127 IonicContact OD1-CD2 3.54Å; D78-H127 PolarHBondContact OD1-CD2 3.46Å; D78-H127 IonicContact OD1-CE1 2.64Å; D78-H127 IonicContact OD1-NE2 3.09Å; D78-H127 PolarHBondContact OD1-NE2 3.04Å; D78-H127 IonicContact OD2-NE2 2.78Å; L80-H127 HydrophobicContact CD1-CB 4.08Å; H127-S134 PolarHBondContact O-N 3.05Å; H127-S135 PolarHBondContact N-O 3.26Å; H127-Y137 HydrophobicContact CB-CE2 3.96Å; H127-V274 HydrophobicContact CB-CG1 4.39Å
128	L	89.5	Confident	90.2	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125	-179.4	-66.1	173.9	0	0	0	110.1	Q79 I81 V126 K132 V133	Q79-L128 HydrophobicContact CG-CB 3.95Å; Q79-L128 PolarHBondContact N-O 2.88Å; Q79-L128 PolarHBondContact O-N 2.9Å; I81-L128 HydrophobicContact CD1-CD1 3.67Å; I81-L128 HydrophobicContact CD1-CG 4.42Å; I81-L128 HydrophobicContact CG1-CD1 4.2Å; V126-L128 HydrophobicContact CG1-CD2 3.96Å; V126-L128 HydrophobicContact CG1-CG 4.15Å; L128-K132 CarbonylContact C-O 3.53Å; L128-K132 VanDerWaalsContact CA-O 3.3Å; L128-K132 WeakPolarHBondContact CA-O 3.42Å; L128-V133 HydrophobicContact CD2-CG2 3.77Å
129	K	87.9	Confident	90.1	Very high	99 Å²	99	30.9 Å²	30.9	43%	0.43	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.6	174.4	-170.3	169.2	-169.2	128.5	0	109.4	D77 D78 G131 K132	D77-K129 WeakPolarHBondContact O-CA 3.42Å; D78-K129 WeakPolarHBondContact OD2-CE 3.49Å; D78-K129 IonicContact OD2-NZ 2.76Å; D78-K129 PolarHBondContact OD2-NZ 3.15Å; K129-G131 PolarHBondContact O-N 2.86Å; K129-K132 PolarHBondContact N-O 2.84Å; K129-K132 PolarHBondContact O-N 3.01Å
130	N	84.9	Confident	89.7	Confident	62 Å²	62	38.8 Å²	38.8	33%	0.332	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	38.5	-173.8	-58.9	-30.2	0	0	0	112.6	D77 K132	D77-N130 WeakPolarHBondContact CB-OD1 3.47Å; D77-N130 PolarHBondContact O-N 2.94Å; N130-K132 PolarHBondContact O-N 3.4Å
131	G	81.2	Confident	89.4	Confident	2 Å²	2	43 Å²	43	2%	0.021	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	4.8	-177.9	0	0	0	0	0	116.2	K129 Q158 V159	K129-G131 PolarHBondContact O-N 2.86Å; G131-Q158 WeakPolarHBondContact O-CA 3.41Å; G131-V159 PolarHBondContact O-N 3.45Å
132	K	87.3	Confident	89.2	Confident	47 Å²	47	39.8 Å²	39.8	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.6	176.9	-51.1	-58	-179.1	-176.9	0	110.7	L128 K129 N130 S134 Q158 E168	L128-K132 CarbonylContact C-O 3.53Å; L128-K132 VanDerWaalsContact CA-O 3.3Å; L128-K132 WeakPolarHBondContact CA-O 3.42Å; K129-K132 PolarHBondContact N-O 2.84Å; K129-K132 PolarHBondContact O-N 3.01Å; N130-K132 PolarHBondContact O-N 3.4Å; K132-S134 PolarHBondContact O-N 3.28Å; K132-Q158 HydrophobicContact CD-CG 3.89Å; K132-E168 IonicContact NZ-OE1 2.65Å; K132-E168 PolarHBondContact NZ-OE1 2.75Å
133	V	87.9	Confident	89	Confident	15 Å²	15	36.3 Å²	36.3	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	114.6	175.6	-179.5	0	0	0	0	109.2	V126 L128 Q158 V290	V126-V133 HydrophobicContact CG1-CB 4.46Å; V126-V133 HydrophobicContact CG1-CG1 3.95Å; V126-V133 HydrophobicContact CG1-CG2 3.87Å; L128-V133 HydrophobicContact CD2-CG2 3.77Å; V133-Q158 HydrophobicContact CG2-CB 4.39Å; V133-V290 HydrophobicContact CB-CG2 4.23Å; V133-V290 HydrophobicContact CG1-CB 4.03Å; V133-V290 HydrophobicContact CG1-CG2 3.77Å
134	S	87.7	Confident	88.8	Confident	71 Å²	71	35.6 Å²	35.6	50%	0.497	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-48.3	173.2	-178	0	0	0	0	110.8	H127 K132	H127-S134 PolarHBondContact O-N 3.05Å; K132-S134 PolarHBondContact O-N 3.28Å
135	S	88.6	Confident	88.5	Confident	32 Å²	32	36 Å²	36	22%	0.224	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.9	-178	-59	0	0	0	0	111.2	H127	H127-S135 PolarHBondContact N-O 3.26Å
136	F	91.1	Very high	88.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.5	174.6	176.6	-92.4	0	0	0	109	F124 V126 C138 K150 R151 A154 A287 V288	F124-F136 HydrophobicContact CD2-CD2 4.38Å; F124-F136 AromaticContact CD2-CE2 3.45Å; F124-F136 HydrophobicContact CD2-CE2 3.45Å; F124-F136 VanDerWaalsContact CD2-CE2 3.45Å; F124-F136 AromaticContact CD2-CZ 3.88Å; F124-F136 HydrophobicContact CD2-CZ 3.88Å; F124-F136 AromaticContact CE2-CE2 3.8Å; F124-F136 HydrophobicContact CE2-CE2 3.8Å; F124-F136 HydrophobicContact CE2-CZ 4.44Å; F124-F136 HydrophobicContact CG-CE2 4.38Å; F124-F136 HydrophobicContact CG-CZ 4.4Å; V126-F136 HydrophobicContact CG2-CD2 4.06Å; V126-F136 HydrophobicContact CG2-CE2 4.43Å; F136-C138 HydrophobicContact CD1-CB 4.43Å; F136-C138 HydrophobicContact CE1-CB 3.67Å; F136-C138 HydrophobicContact CZ-CB 4.27Å; F136-K150 HydrophobicContact CE2-CB 4.33Å; F136-K150 HydrophobicContact CZ-CB 3.85Å; F136-R151 HydrophobicContact CD1-CG 4.42Å; F136-R151 HydrophobicContact CD2-CG 4.46Å; F136-R151 HydrophobicContact CE1-CG 4.23Å; F136-R151 HydrophobicContact CE2-CG 4.28Å; F136-R151 HydrophobicContact CZ-CG 4.18Å; F136-A154 HydrophobicContact CD2-CB 4.27Å; F136-A154 HydrophobicContact CE2-CB 4.24Å; F136-A287 CarbonylContact O-C 3.54Å; F136-A287 WeakPolarHBondContact O-CA 3.45Å; F136-V288 HydrophobicContact CD1-CB 4.35Å; F136-V288 HydrophobicContact CD1-CG2 4.44Å; F136-V288 PolarHBondContact N-O 3.22Å; F136-V288 PolarHBondContact O-N 3.1Å; F136-V288 VanDerWaalsContact O-O 3.09Å
137	Y	91.8	Very high	88.2	Confident	22 Å²	22	36.1 Å²	36.1	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.1	-176.8	-58.8	-94.7	0	0	0	110.7	L80 F124 M125 H127 V274 V278 F286 A287	L80-Y137 HydrophobicContact CD1-CD2 4.31Å; L80-Y137 HydrophobicContact CD1-CE2 4.24Å; F124-Y137 WeakPolarHBondContact CB-O 2.95Å; M125-Y137 HydrophobicContact CB-CD2 4.38Å; M125-Y137 PolarHBondContact N-O 2.89Å; M125-Y137 PolarHBondContact O-N 2.65Å; H127-Y137 HydrophobicContact CB-CE2 3.96Å; Y137-V274 HydrophobicContact CE2-CG1 4.18Å; Y137-V278 HydrophobicContact CD1-CB 4.4Å; Y137-V278 HydrophobicContact CD1-CG1 3.75Å; Y137-V278 HydrophobicContact CD1-CG2 4.13Å; Y137-V278 HydrophobicContact CD2-CG2 4.27Å; Y137-V278 HydrophobicContact CE1-CB 4.42Å; Y137-V278 HydrophobicContact CE1-CG1 4.21Å; Y137-V278 HydrophobicContact CE1-CG2 4.07Å; Y137-V278 HydrophobicContact CE2-CG2 4.24Å; Y137-V278 HydrophobicContact CG-CG1 4.18Å; Y137-V278 HydrophobicContact CG-CG2 4.22Å; Y137-F286 WeakPolarHBondContact CA-O 3.48Å; Y137-A287 HydrophobicContact CD1-CB 3.96Å; Y137-A287 HydrophobicContact CE1-CB 3.65Å
138	C	91.8	Very high	88.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	-170.5	177.4	72.6	0	0	0	0	111.6	F136 L285 F286 V288	F136-C138 HydrophobicContact CD1-CB 4.43Å; F136-C138 HydrophobicContact CE1-CB 3.67Å; F136-C138 HydrophobicContact CZ-CB 4.27Å; C138-L285 WeakPolarHBondContact O-CA 3.47Å; C138-F286 VanDerWaalsContact C-CE1 3.5Å; C138-F286 PolarHBondContact N-O 2.9Å; C138-F286 WeakPolarHBondContact O-CD1 2.99Å; C138-F286 WeakPolarHBondContact O-CE1 3.15Å; C138-F286 PolarHBondContact O-N 3.24Å; C138-F286 VanDerWaalsContact O-N 3.1Å; C138-V288 WeakPolarHBondContact SG-CG2 3.45Å
139	Y	89.8	Confident	88.3	Confident	29 Å²	29	35.9 Å²	35.9	11%	0.114	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.5	-179.4	-66.2	-82.9	0	0	0	113.6	R122 P123 A141 E142 K147 D282 K284 L285	R122-Y139 HydrophobicContact CB-CD2 4.22Å; R122-Y139 HydrophobicContact CB-CE2 4.09Å; R122-Y139 HydrophobicContact CG-CE2 4.36Å; P123-Y139 WeakPolarHBondContact O-CE2 3.48Å; Y139-A141 VanDerWaalsContact C-N 3.3Å; Y139-A141 PolarHBondContact O-N 2.85Å; Y139-E142 WeakPolarHBondContact CD2-OE1 3.13Å; Y139-E142 WeakPolarHBondContact O-CB 3.26Å; Y139-E142 PolarHBondContact O-N 2.78Å; Y139-E142 VanDerWaalsContact O-N 3.09Å; Y139-K147 WeakPolarHBondContact O-CE 2.88Å; Y139-D282 WeakPolarHBondContact CE1-OD2 3.38Å; Y139-D282 VanDerWaalsContact CZ-OD2 3.32Å; Y139-D282 PolarHBondContact OH-OD2 3.18Å; Y139-K284 HydrophobicContact CD1-CB 3.83Å; Y139-K284 HydrophobicContact CE1-CB 3.89Å; Y139-L285 HydrophobicContact CD1-CD2 4.35Å; Y139-L285 HydrophobicContact CD2-CD2 4.06Å; Y139-L285 HydrophobicContact CE1-CD2 4.11Å; Y139-L285 HydrophobicContact CE1-CG 4.23Å; Y139-L285 HydrophobicContact CE2-CD2 3.8Å; Y139-L285 HydrophobicContact CG-CD2 4.33Å
140	K	82.7	Confident	88.6	Confident	170 Å²	170	31.2 Å²	31.2	74%	0.739	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-37.2	-163	-168.1	176.4	178.7	179.9	0	112.1	E142 K147 F286	K140-E142 PolarHBondContact O-N 2.82Å; K140-K147 PolarHBondContact O-NZ 2.84Å; K140-F286 VanDerWaalsContact CA-CZ 3.42Å; K140-F286 HydrophobicContact CB-CD1 3.76Å; K140-F286 HydrophobicContact CB-CE1 3.54Å; K140-F286 HydrophobicContact CB-CE2 4.49Å; K140-F286 HydrophobicContact CB-CZ 3.89Å; K140-F286 HydrophobicContact CG-CE1 4.26Å; K140-F286 HydrophobicContact CG-CE2 4.38Å; K140-F286 HydrophobicContact CG-CZ 4.13Å
141	A	85.1	Confident	89	Confident	97 Å²	97	28.3 Å²	28.3	80%	0.802	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-4	178.3	0	0	0	0	0	114.4	Y139	Y139-A141 VanDerWaalsContact C-N 3.3Å; Y139-A141 PolarHBondContact O-N 2.85Å
142	E	88.4	Confident	89.6	Confident	8 Å²	8	28.2 Å²	28.2	4%	0.037	16%	0.164	C	C	.	.	S	Bend	trans	-71.8	140.3	178.1	-68.3	-179.8	169.4	0	0	111.8	A119 Y139 K140 K147 K150	A119-E142 HydrophobicContact CB-CG 4.01Å; Y139-E142 WeakPolarHBondContact CD2-OE1 3.13Å; Y139-E142 WeakPolarHBondContact O-CB 3.26Å; Y139-E142 PolarHBondContact O-N 2.78Å; Y139-E142 VanDerWaalsContact O-N 3.09Å; K140-E142 PolarHBondContact O-N 2.82Å; E142-K147 HydrophobicContact CB-CG 4.03Å; E142-K147 WeakPolarHBondContact O-CE 3.47Å; E142-K147 PolarHBondContact O-NZ 2.96Å; E142-K150 VanDerWaalsContact CD-NZ 3.34Å; E142-K150 IonicContact OE1-NZ 2.6Å; E142-K150 PolarHBondContact OE1-NZ 2.95Å; E142-K150 IonicContact OE2-NZ 2.73Å; E142-K150 PolarHBondContact OE2-NZ 2.87Å; E142-K150 VanDerWaalsContact OE2-NZ 3.14Å
143	P	88.4	Confident	89.9	Confident	41 Å²	41	26.1 Å²	26.1	27%	0.266	16%	0.156	S	C	.	.			trans	-61.1	144.1	173.7	-20.6	31.8	0	0	0	112.3	K116 S145 I146 K147	K116-P143 HydrophobicContact CG-CG 4.42Å; P143-S145 VanDerWaalsContact C-N 3.27Å; P143-S145 PolarHBondContact O-N 2.83Å; P143-I146 HydrophobicContact CB-CG1 4.24Å; P143-I146 HydrophobicContact CG-CG1 4.25Å; P143-I146 PolarHBondContact O-N 2.87Å; P143-I146 VanDerWaalsContact O-N 3.11Å; P143-K147 PolarHBondContact O-N 2.83Å
144	A	87.9	Confident	90.1	Very high	24 Å²	24	25.4 Å²	25.4	20%	0.198	15%	0.151	C	C	.	.	H	α-helix	trans	-57.7	-37.3	179.1	0	0	0	0	0	113.1	I146 K147 N148 E293 V295	A144-I146 VanDerWaalsContact C-N 3.34Å; A144-I146 PolarHBondContact O-N 2.9Å; A144-K147 PolarHBondContact O-N 2.85Å; A144-N148 WeakPolarHBondContact O-CB 3.41Å; A144-N148 PolarHBondContact O-N 3.42Å; A144-N148 PolarHBondContact O-ND2 3.1Å; A144-N148 PolarHBondContact O-OD1 3.23Å; A144-E293 HydrophobicContact CB-CB 3.9Å; A144-V295 HydrophobicContact CB-CG2 4.04Å
145	S	87.7	Confident	90.4	Very high	8 Å²	8	22 Å²	22	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-43.3	175.7	50.9	0	0	0	0	112.5	P143 N148 L149 D796	P143-S145 VanDerWaalsContact C-N 3.27Å; P143-S145 PolarHBondContact O-N 2.83Å; S145-N148 PolarHBondContact O-N 2.81Å; S145-L149 PolarHBondContact O-N 3.49Å; S145-D796 PolarHBondContact OG-OD2 3.48Å
146	I	90.5	Very high	90.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.1	-42.8	177.8	-59.2	-55.5	0	0	0	111.3	K116 A119 L120 P143 A144 N148 L149 K150	K116-I146 HydrophobicContact CB-CD1 4.36Å; K116-I146 HydrophobicContact CB-CG1 4.44Å; A119-I146 HydrophobicContact CB-CG2 4.24Å; L120-I146 HydrophobicContact CB-CG2 3.98Å; L120-I146 HydrophobicContact CD1-CG2 4.05Å; P143-I146 HydrophobicContact CB-CG1 4.24Å; P143-I146 HydrophobicContact CG-CG1 4.25Å; P143-I146 PolarHBondContact O-N 2.87Å; P143-I146 VanDerWaalsContact O-N 3.11Å; A144-I146 VanDerWaalsContact C-N 3.34Å; A144-I146 PolarHBondContact O-N 2.9Å; I146-N148 VanDerWaalsContact C-N 3.27Å; I146-N148 PolarHBondContact O-N 2.94Å; I146-L149 HydrophobicContact CD1-CD1 4.39Å; I146-L149 PolarHBondContact O-N 3.05Å; I146-K150 PolarHBondContact O-N 2.79Å; I146-K150 VanDerWaalsContact O-N 3.08Å
147	K	91.2	Very high	90.4	Very high	12 Å²	12	21 Å²	21	5%	0.052	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-40.3	174.5	-67.7	178.5	-173.4	162.6	0	111.6	Y139 K140 E142 P143 A144 K150 R151 E293	Y139-K147 WeakPolarHBondContact O-CE 2.88Å; K140-K147 PolarHBondContact O-NZ 2.84Å; E142-K147 HydrophobicContact CB-CG 4.03Å; E142-K147 WeakPolarHBondContact O-CE 3.47Å; E142-K147 PolarHBondContact O-NZ 2.96Å; P143-K147 PolarHBondContact O-N 2.83Å; A144-K147 PolarHBondContact O-N 2.85Å; K147-K150 PolarHBondContact O-N 2.88Å; K147-R151 VanDerWaalsContact O-CG 3.32Å; K147-R151 WeakPolarHBondContact O-CG 3.38Å; K147-R151 PolarHBondContact O-N 2.6Å; K147-E293 WeakPolarHBondContact CD-OE1 3.39Å; K147-E293 IonicContact NZ-OE2 2.71Å
148	N	91.6	Very high	90.3	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-66.2	-38.2	178.9	-68.3	-10.7	0	0	0	112.2	A144 S145 I146 R151 G152 A292 E293 G747	A144-N148 WeakPolarHBondContact O-CB 3.41Å; A144-N148 PolarHBondContact O-N 3.42Å; A144-N148 PolarHBondContact O-ND2 3.1Å; A144-N148 PolarHBondContact O-OD1 3.23Å; S145-N148 PolarHBondContact O-N 2.81Å; I146-N148 VanDerWaalsContact C-N 3.27Å; I146-N148 PolarHBondContact O-N 2.94Å; N148-R151 WeakPolarHBondContact O-CB 3.41Å; N148-R151 PolarHBondContact O-N 2.81Å; N148-R151 PolarHBondContact OD1-NH1 3.18Å; N148-G152 PolarHBondContact O-N 3.26Å; N148-A292 WeakPolarHBondContact OD1-CA 2.99Å; N148-E293 PolarHBondContact ND2-O 2.82Å; N148-E293 PolarHBondContact OD1-N 2.84Å; N148-G747 WeakPolarHBondContact CB-O 3.39Å; N148-G747 VanDerWaalsContact O-CA 3.28Å; N148-G747 WeakPolarHBondContact O-CA 3.36Å
149	L	91.8	Very high	90.1	Very high	14 Å²	14	20 Å²	20	7%	0.073	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-46	171.4	-71.3	173.9	0	0	0	111.9	L120 S145 I146 R151 G152 V153 L748 M795	L120-L149 HydrophobicContact CD1-CB 4.44Å; L120-L149 HydrophobicContact CD1-CD1 4.48Å; S145-L149 PolarHBondContact O-N 3.49Å; I146-L149 HydrophobicContact CD1-CD1 4.39Å; I146-L149 PolarHBondContact O-N 3.05Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.91Å; L149-G152 PolarHBondContact O-N 3.35Å; L149-G152 VanDerWaalsContact O-N 3.13Å; L149-V153 PolarHBondContact O-N 2.94Å; L149-L748 HydrophobicContact CD2-CD2 3.7Å; L149-M795 HydrophobicContact CD1-SD 3.84Å; L149-M795 HydrophobicContact CD2-CE 4.33Å; L149-M795 HydrophobicContact CD2-SD 4.02Å; L149-M795 HydrophobicContact CG-SD 4.17Å
150	K	94	Very high	90	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-41.9	175.6	-68.4	-179.5	176.9	-174.6	0	111.6	I85 A119 L120 R122 F124 F136 E142 I146 K147 G152 V153 A154	I85-K150 HydrophobicContact CD1-CG 4.23Å; A119-K150 WeakPolarHBondContact O-CE 3.48Å; A119-K150 PolarHBondContact O-NZ 2.77Å; L120-K150 HydrophobicContact CD1-CG 4.48Å; L120-K150 WeakPolarHBondContact O-CE 3.46Å; R122-K150 PolarHBondContact O-NZ 3.23Å; F124-K150 HydrophobicContact CB-CD 4.27Å; F124-K150 HydrophobicContact CD1-CB 4.24Å; F124-K150 HydrophobicContact CD1-CD 3.56Å; F124-K150 HydrophobicContact CD1-CG 3.9Å; F124-K150 HydrophobicContact CD2-CB 4.39Å; F124-K150 HydrophobicContact CE1-CB 3.99Å; F124-K150 HydrophobicContact CE1-CD 3.98Å; F124-K150 HydrophobicContact CE1-CG 3.76Å; F124-K150 HydrophobicContact CE2-CB 4.15Å; F124-K150 HydrophobicContact CG-CB 4.41Å; F124-K150 HydrophobicContact CG-CD 3.95Å; F124-K150 HydrophobicContact CG-CG 4.45Å; F124-K150 HydrophobicContact CZ-CB 3.93Å; F124-K150 HydrophobicContact CZ-CG 4.21Å; F136-K150 HydrophobicContact CE2-CB 4.33Å; F136-K150 HydrophobicContact CZ-CB 3.85Å; E142-K150 VanDerWaalsContact CD-NZ 3.34Å; E142-K150 IonicContact OE1-NZ 2.6Å; E142-K150 PolarHBondContact OE1-NZ 2.95Å; E142-K150 IonicContact OE2-NZ 2.73Å; E142-K150 PolarHBondContact OE2-NZ 2.87Å; E142-K150 VanDerWaalsContact OE2-NZ 3.14Å; I146-K150 PolarHBondContact O-N 2.79Å; I146-K150 VanDerWaalsContact O-N 3.08Å; K147-K150 PolarHBondContact O-N 2.88Å; K150-G152 VanDerWaalsContact C-N 3.32Å; K150-G152 PolarHBondContact O-N 2.83Å; K150-V153 PolarHBondContact O-N 3.17Å; K150-A154 WeakPolarHBondContact O-CB 3.42Å; K150-A154 PolarHBondContact O-N 3.28Å
151	R	93.3	Very high	90	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-38.5	173.2	-73.4	168.6	172.6	127.4	2.5	112.3	F136 K147 N148 L149 A154 S155 V171 V288 G289 V290 A291 E293	F136-R151 HydrophobicContact CD1-CG 4.42Å; F136-R151 HydrophobicContact CD2-CG 4.46Å; F136-R151 HydrophobicContact CE1-CG 4.23Å; F136-R151 HydrophobicContact CE2-CG 4.28Å; F136-R151 HydrophobicContact CZ-CG 4.18Å; K147-R151 VanDerWaalsContact O-CG 3.32Å; K147-R151 WeakPolarHBondContact O-CG 3.38Å; K147-R151 PolarHBondContact O-N 2.6Å; N148-R151 WeakPolarHBondContact O-CB 3.41Å; N148-R151 PolarHBondContact O-N 2.81Å; N148-R151 PolarHBondContact OD1-NH1 3.18Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 2.91Å; R151-A154 PolarHBondContact O-N 2.88Å; R151-S155 WeakPolarHBondContact O-CB 3.37Å; R151-S155 PolarHBondContact O-N 3.35Å; R151-S155 PolarHBondContact O-OG 2.9Å; R151-V171 HydrophobicContact CB-CB 4.12Å; R151-V171 HydrophobicContact CB-CG2 3.86Å; R151-V288 VanDerWaalsContact NH2-CG1 3.26Å; R151-G289 PolarHBondContact NE-O 2.87Å; R151-G289 PolarHBondContact NH2-O 2.79Å; R151-V290 VanDerWaalsContact CD-O 3.31Å; R151-V290 WeakPolarHBondContact CD-O 3.13Å; R151-A291 PolarHBondContact NE-O 3.09Å; R151-A291 VanDerWaalsContact NE-O 3.13Å; R151-E293 IonicContact CZ-OE1 2.74Å; R151-E293 IonicContact NH1-OE1 2.72Å; R151-E293 PolarHBondContact NH1-OE1 2.69Å; R151-E293 VanDerWaalsContact NH1-OE1 3.11Å; R151-E293 IonicContact NH2-OE1 2.9Å; R151-E293 PolarHBondContact NH2-OE1 2.87Å
152	G	93.3	Very high	90	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-42.9	175.7	0	0	0	0	0	112.7	N148 L149 K150 Q255 Q745	N148-G152 PolarHBondContact O-N 3.26Å; L149-G152 PolarHBondContact O-N 3.35Å; L149-G152 VanDerWaalsContact O-N 3.13Å; K150-G152 VanDerWaalsContact C-N 3.32Å; K150-G152 PolarHBondContact O-N 2.83Å; G152-Q255 PolarHBondContact O-NE2 2.98Å; G152-Q745 WeakPolarHBondContact CA-O 3.21Å
153	V	93.9	Very high	90	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-66.4	-48	173.8	179.9	0	0	0	0	110.8	Y39 V64 L83 I85 L149 K150 S155 L156	Y39-V153 HydrophobicContact CD1-CG2 3.94Å; Y39-V153 HydrophobicContact CD2-CG2 4.5Å; Y39-V153 HydrophobicContact CE1-CG2 3.54Å; Y39-V153 HydrophobicContact CE2-CG2 4.16Å; Y39-V153 HydrophobicContact CG-CG2 4.39Å; V64-V153 HydrophobicContact CG1-CG1 4.18Å; V64-V153 HydrophobicContact CG2-CG1 4.43Å; L83-V153 HydrophobicContact CD2-CG1 4.14Å; I85-V153 HydrophobicContact CD1-CG2 4.29Å; L149-V153 PolarHBondContact O-N 2.94Å; K150-V153 PolarHBondContact O-N 3.17Å; V153-S155 PolarHBondContact O-N 3.05Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 3.45Å; V153-L156 VanDerWaalsContact O-N 3.09Å
154	A	92.7	Very high	90.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.1	-36.5	178.4	0	0	0	0	0	112.7	F124 V126 F136 K150 R151 L156 L157	F124-A154 HydrophobicContact CE2-CB 4.36Å; V126-A154 HydrophobicContact CG2-CB 3.72Å; F136-A154 HydrophobicContact CD2-CB 4.27Å; F136-A154 HydrophobicContact CE2-CB 4.24Å; K150-A154 WeakPolarHBondContact O-CB 3.42Å; K150-A154 PolarHBondContact O-N 3.28Å; R151-A154 PolarHBondContact O-N 2.88Å; A154-L156 PolarHBondContact O-N 3.15Å; A154-L157 PolarHBondContact O-N 3.32Å
155	S	92.6	Very high	90.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.2	179.7	-59.9	0	0	0	0	113.6	R151 V153 V171 R188	R151-S155 WeakPolarHBondContact O-CB 3.37Å; R151-S155 PolarHBondContact O-N 3.35Å; R151-S155 PolarHBondContact O-OG 2.9Å; V153-S155 PolarHBondContact O-N 3.05Å; S155-V171 PolarHBondContact OG-N 3.12Å; S155-R188 PolarHBondContact O-NH1 2.88Å; S155-R188 PolarHBondContact O-NH2 3.35Å
156	L	91.8	Very high	90.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.1	173	-65.9	175.6	0	0	0	112.5	Y39 V153 A154 Q158 T219 F221 A233 Q255 L257	Y39-L156 HydrophobicContact CD2-CD1 4.38Å; Y39-L156 HydrophobicContact CE2-CD1 3.76Å; V153-L156 WeakPolarHBondContact O-CB 3.47Å; V153-L156 PolarHBondContact O-N 3.45Å; V153-L156 VanDerWaalsContact O-N 3.09Å; A154-L156 PolarHBondContact O-N 3.15Å; L156-Q158 VanDerWaalsContact C-N 3.27Å; L156-T219 HydrophobicContact CD2-CG2 4.15Å; L156-F221 WeakPolarHBondContact O-CE1 3.37Å; L156-A233 HydrophobicContact CD2-CB 4.04Å; L156-Q255 HydrophobicContact CD1-CB 4.03Å; L156-L257 HydrophobicContact CB-CD2 4.44Å; L156-L257 HydrophobicContact CD1-CB 4.23Å
157	L	89.2	Confident	90.6	Very high	10 Å²	10	31.7 Å²	31.7	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	-81.8	-9.5	176.9	-60	-176.6	0	0	0	112.9	V66 I81 L83 A154 V159 I228 L257	V66-L157 HydrophobicContact CG1-CD1 4.47Å; I81-L157 HydrophobicContact CD1-CD1 3.46Å; I81-L157 VanDerWaalsContact CD1-CD1 3.46Å; L83-L157 HydrophobicContact CD1-CD1 4.45Å; L83-L157 HydrophobicContact CD2-CD1 3.7Å; L83-L157 HydrophobicContact CG-CD1 4.37Å; A154-L157 PolarHBondContact O-N 3.32Å; L157-V159 PolarHBondContact O-N 2.97Å; L157-I228 HydrophobicContact CD2-CD1 4.27Å; L157-L257 HydrophobicContact CD2-CD2 4.01Å
158	Q	89.2	Confident	90.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	17%	0.166	C	C	.	.			trans	-79.9	105.9	174.5	-177.9	159.8	-60.2	0	0	111	G131 K132 V133 L156 E168 R188	G131-Q158 WeakPolarHBondContact O-CA 3.41Å; K132-Q158 HydrophobicContact CD-CG 3.89Å; V133-Q158 HydrophobicContact CG2-CB 4.39Å; L156-Q158 VanDerWaalsContact C-N 3.27Å; Q158-E168 PolarHBondContact NE2-OE2 3.11Å; Q158-R188 PolarHBondContact O-NH1 2.88Å
159	V	87.8	Confident	90.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.			trans	-137.3	146.8	-177.4	162.1	0	0	0	0	110.5	P27 G131 L157 F221 I228	P27-V159 HydrophobicContact CG-CB 4.18Å; G131-V159 PolarHBondContact O-N 3.45Å; L157-V159 PolarHBondContact O-N 2.97Å; V159-F221 HydrophobicContact CG2-CB 4.46Å; V159-F221 HydrophobicContact CG2-CD1 3.4Å; V159-F221 HydrophobicContact CG2-CD2 3.72Å; V159-F221 HydrophobicContact CG2-CE1 3.32Å; V159-F221 HydrophobicContact CG2-CE2 3.63Å; V159-F221 HydrophobicContact CG2-CG 3.59Å; V159-F221 HydrophobicContact CG2-CZ 3.42Å; V159-F221 VanDerWaalsContact CG2-CZ 3.42Å; V159-I228 HydrophobicContact CG2-CD1 3.95Å; V159-I228 HydrophobicContact CG2-CG1 4.49Å
160	Q	86.6	Confident	90.4	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.079	18%	0.184	C	C	.	.			trans	-126.1	126.8	170	175	178.1	-39.4	0	0	110.3	A24 R162 Y179 V186	A24-Q160 HydrophobicContact CB-CG 4.15Å; Q160-R162 VanDerWaalsContact C-N 3.3Å; Q160-R162 HydrophobicContact CG-CB 4.47Å; Q160-R162 WeakPolarHBondContact CG-O 3.39Å; Q160-R162 PolarHBondContact NE2-O 2.75Å; Q160-R162 PolarHBondContact O-N 2.92Å; Q160-Y179 HydrophobicContact CB-CD1 4.13Å; Q160-Y179 HydrophobicContact CB-CD2 4.26Å; Q160-Y179 HydrophobicContact CB-CE1 4.11Å; Q160-Y179 HydrophobicContact CB-CE2 4.26Å; Q160-Y179 HydrophobicContact CB-CG 4.2Å; Q160-V186 WeakPolarHBondContact O-CG1 3.45Å
161	C	82.6	Confident	90.2	Very high	52 Å²	52	34.8 Å²	34.8	35%	0.351	18%	0.184	S	C	.	.	S	Bend	trans	-80.4	-8.6	-176.8	-58.2	0	0	0	0	113.9	A181	C161-A181 WeakPolarHBondContact O-CB 3.45Å
162	R	84.8	Confident	90	Very high	143 Å²	143	35 Å²	35	54%	0.54	19%	0.186	S	C	.	.	S	Bend	trans	-104	134.8	177.9	-67.9	-173.6	179.6	167.1	4	111.2	A22 Q160	A22-R162 PolarHBondContact O-NH1 3.13Å; Q160-R162 VanDerWaalsContact C-N 3.3Å; Q160-R162 HydrophobicContact CG-CB 4.47Å; Q160-R162 WeakPolarHBondContact CG-O 3.39Å; Q160-R162 PolarHBondContact NE2-O 2.75Å; Q160-R162 PolarHBondContact O-N 2.92Å
163	S	89.8	Confident	89.8	Confident	76 Å²	76	35.2 Å²	35.2	53%	0.531	19%	0.188	S	C	.	.			trans	-61.1	142.6	172.4	-57.5	0	0	0	0	111.6	Y179 A181	S163-Y179 CarbonylContact C-O 3.56Å; S163-Y179 WeakPolarHBondContact CA-O 3.38Å; S163-Y179 WeakPolarHBondContact CB-O 3.33Å; S163-A181 PolarHBondContact OG-N 3.14Å
164	G	91.8	Very high	89.7	Confident	31 Å²	31	42 Å²	42	32%	0.32	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	155.7	165	178.7	0	0	0	0	0	113.3	Y179	G164-Y179 PolarHBondContact N-O 2.72Å; G164-Y179 PolarHBondContact O-N 2.88Å
165	K	92.3	Very high	89.7	Confident	155 Å²	155	42.1 Å²	42.1	67%	0.674	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.2	172.9	-68.6	-176.1	177.9	-177.7	0	110	V177 E178	K165-V177 CarbonylContact C-O 3.49Å; K165-V177 WeakPolarHBondContact CA-O 3.03Å; K165-E178 WeakPolarHBondContact CE-OE2 3.32Å; K165-E178 HydrophobicContact CG-CB 4.11Å; K165-E178 HydrophobicContact CG-CG 3.98Å; K165-E178 IonicContact NZ-OE2 3.46Å
166	V	91.7	Very high	89.7	Confident	41 Å²	41	44.5 Å²	44.5	25%	0.248	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	157.1	-179.3	-67	0	0	0	0	110.3	E168 V177 Y179	V166-E168 HydrophobicContact CG2-CG 3.99Å; V166-V177 HydrophobicContact CG2-CB 4.5Å; V166-V177 PolarHBondContact N-O 2.89Å; V166-V177 PolarHBondContact O-N 2.85Å; V166-Y179 HydrophobicContact CG2-CD2 3.96Å; V166-Y179 HydrophobicContact CG2-CE2 3.77Å
167	I	91	Very high	89.8	Confident	106 Å²	106	44.6 Å²	44.6	54%	0.544	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128	170.3	-61.1	173.7	0	0	0	107.9	R174 C175	I167-R174 HydrophobicContact CG2-CG 3.67Å; I167-C175 WeakPolarHBondContact CA-O 3.4Å
168	E	89.9	Confident	90.1	Very high	7 Å²	7	47 Å²	47	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.4	-177.7	-74.8	-170.7	177.4	0	0	111.6	K132 Q158 V166 R174 C175 V177 Y179	K132-E168 IonicContact NZ-OE1 2.65Å; K132-E168 PolarHBondContact NZ-OE1 2.75Å; Q158-E168 PolarHBondContact NE2-OE2 3.11Å; V166-E168 HydrophobicContact CG2-CG 3.99Å; E168-R174 CarbonylContact O-C 3.58Å; E168-R174 WeakPolarHBondContact O-CA 3.46Å; E168-C175 PolarHBondContact N-O 3Å; E168-C175 PolarHBondContact O-N 3.22Å; E168-V177 HydrophobicContact CB-CG2 3.94Å; E168-V177 HydrophobicContact CG-CB 4.43Å; E168-V177 HydrophobicContact CG-CG2 4.24Å; E168-Y179 WeakPolarHBondContact OE1-CE2 3.24Å; E168-Y179 PolarHBondContact OE1-OH 2.79Å; E168-Y179 PolarHBondContact OE2-OH 3.19Å
169	N	90.4	Very high	90.3	Very high	84 Å²	84	47 Å²	47	45%	0.449	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.9	167.5	-60.7	-37.7	0	0	0	107.9	G173 R174 V290	N169-G173 WeakPolarHBondContact CA-O 3.19Å; N169-R174 WeakPolarHBondContact OD1-CA 3.4Å; N169-R174 WeakPolarHBondContact OD1-CB 3.4Å; N169-R174 WeakPolarHBondContact OD1-CG 3.41Å; N169-V290 HydrophobicContact CB-CG1 3.86Å
170	D	89.9	Confident	90.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	-165.3	170.9	76.9	-1.1	0	0	0	110.2	S172 G173 K190 A291	D170-S172 PolarHBondContact O-N 3.09Å; D170-S172 VanDerWaalsContact O-N 3.12Å; D170-S172 VanDerWaalsContact OD1-CB 3.32Å; D170-S172 WeakPolarHBondContact OD1-CB 3.33Å; D170-S172 PolarHBondContact OD1-N 2.96Å; D170-G173 PolarHBondContact N-O 2.83Å; D170-G173 PolarHBondContact O-N 3.31Å; D170-K190 IonicContact OD1-NZ 3.24Å; D170-K190 PolarHBondContact OD1-NZ 2.98Å; D170-K190 WeakPolarHBondContact OD2-CE 3.4Å; D170-K190 IonicContact OD2-NZ 2.86Å; D170-K190 PolarHBondContact OD2-NZ 2.82Å; D170-A291 WeakPolarHBondContact O-CA 3.32Å
171	V	90.3	Very high	90.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.2	-179.8	70.8	0	0	0	0	113.4	R151 S155 G173 V290 A292 Q743 Q745	R151-V171 HydrophobicContact CB-CB 4.12Å; R151-V171 HydrophobicContact CB-CG2 3.86Å; S155-V171 PolarHBondContact OG-N 3.12Å; V171-G173 PolarHBondContact O-N 2.85Å; V171-V290 WeakPolarHBondContact CA-O 3.48Å; V171-A292 HydrophobicContact CG2-CB 4.06Å; V171-A292 PolarHBondContact O-N 2.91Å; V171-Q743 VanDerWaalsContact O-CG 3.3Å; V171-Q743 WeakPolarHBondContact O-CG 3.32Å; V171-Q745 VanDerWaalsContact CG1-O 3.3Å; V171-Q745 WeakPolarHBondContact CG1-O 3.45Å
172	S	89.2	Confident	90.9	Very high	5 Å²	5	54.5 Å²	54.5	4%	0.035	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	0.7	176.9	-51.2	0	0	0	0	113.3	D170 K190 T197	D170-S172 PolarHBondContact O-N 3.09Å; D170-S172 VanDerWaalsContact O-N 3.12Å; D170-S172 VanDerWaalsContact OD1-CB 3.32Å; D170-S172 WeakPolarHBondContact OD1-CB 3.33Å; D170-S172 PolarHBondContact OD1-N 2.96Å; S172-K190 VanDerWaalsContact CB-NZ 3.31Å; S172-K190 PolarHBondContact OG-NZ 3.34Å; S172-T197 WeakPolarHBondContact O-CG2 3.22Å
173	G	89.3	Confident	90.8	Very high	6 Å²	6	57.4 Å²	57.4	6%	0.062	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.5	-153.4	-177.2	0	0	0	0	0	112.8	N169 D170 V171	N169-G173 WeakPolarHBondContact CA-O 3.19Å; D170-G173 PolarHBondContact N-O 2.83Å; D170-G173 PolarHBondContact O-N 3.31Å; V171-G173 PolarHBondContact O-N 2.85Å
174	R	90.8	Very high	90.4	Very high	145 Å²	145	55.9 Å²	55.9	55%	0.547	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	108.3	-179.1	-176.9	171	-179.7	-177.3	-0.1	110.3	I167 E168 N169 C195 K196	I167-R174 HydrophobicContact CG2-CG 3.67Å; E168-R174 CarbonylContact O-C 3.58Å; E168-R174 WeakPolarHBondContact O-CA 3.46Å; N169-R174 WeakPolarHBondContact OD1-CA 3.4Å; N169-R174 WeakPolarHBondContact OD1-CB 3.4Å; N169-R174 WeakPolarHBondContact OD1-CG 3.41Å; R174-C195 VanDerWaalsContact O-CA 3.32Å; R174-C195 WeakPolarHBondContact O-CA 3.39Å; R174-K196 PolarHBondContact N-O 3.18Å; R174-K196 PolarHBondContact O-N 2.94Å
175	C	91.8	Very high	90.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.8	-170.8	-53.2	0	0	0	0	112.6	I167 E168 K190 C195	I167-C175 WeakPolarHBondContact CA-O 3.4Å; E168-C175 PolarHBondContact N-O 3Å; E168-C175 PolarHBondContact O-N 3.22Å; C175-K190 HydrophobicContact CB-CD 4.04Å; C175-K190 HydrophobicContact CB-CG 3.87Å; C175-C195 HydrophobicContact CB-CB 4.17Å; C175-C195 WeakPolarHBondContact CB-SG 3.46Å; C175-C195 VanDerWaalsContact SG-CA 3.59Å; C175-C195 WeakPolarHBondContact SG-CB 3.25Å; C175-C195 CovalentContact SG-SG 2.03Å; C175-C195 PolarHBondContact SG-SG 2.95Å
176	T	94	Very high	90.4	Very high	51 Å²	51	51.2 Å²	51.2	31%	0.313	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.5	166.5	-51.7	0	0	0	0	109.6	A191 T194	T176-A191 PolarHBondContact O-N 2.88Å; T176-T194 WeakPolarHBondContact CB-OG1 3.31Å; T176-T194 PolarHBondContact N-OG1 3.36Å; T176-T194 PolarHBondContact OG1-OG1 3.46Å
177	V	93.6	Very high	90.5	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.9	-175.7	-178.3	0	0	0	0	109.6	K165 V166 E168 Y179 R188 T189 K190	K165-V177 CarbonylContact C-O 3.49Å; K165-V177 WeakPolarHBondContact CA-O 3.03Å; V166-V177 HydrophobicContact CG2-CB 4.5Å; V166-V177 PolarHBondContact N-O 2.89Å; V166-V177 PolarHBondContact O-N 2.85Å; E168-V177 HydrophobicContact CB-CG2 3.94Å; E168-V177 HydrophobicContact CG-CB 4.43Å; E168-V177 HydrophobicContact CG-CG2 4.24Å; V177-Y179 HydrophobicContact CB-CE2 4.27Å; V177-Y179 HydrophobicContact CG1-CD2 4Å; V177-Y179 HydrophobicContact CG1-CE2 3.47Å; V177-Y179 VanDerWaalsContact CG1-CE2 3.47Å; V177-R188 HydrophobicContact CG1-CG 3.31Å; V177-T189 WeakPolarHBondContact CA-O 3.38Å; V177-K190 HydrophobicContact CG2-CB 4.48Å; V177-K190 HydrophobicContact CG2-CG 4.22Å
178	E	94.8	Very high	90.7	Very high	62 Å²	62	46 Å²	46	29%	0.29	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.6	174.2	-173.5	175.3	159.7	0	0	110.1	K165 K180 R188 T189	K165-E178 WeakPolarHBondContact CE-OE2 3.32Å; K165-E178 HydrophobicContact CG-CB 4.11Å; K165-E178 HydrophobicContact CG-CG 3.98Å; K165-E178 IonicContact NZ-OE2 3.46Å; E178-K180 WeakPolarHBondContact OE1-CE 3.13Å; E178-K180 IonicContact OE1-NZ 3.72Å; E178-R188 WeakPolarHBondContact O-CA 3.49Å; E178-T189 PolarHBondContact N-O 3.38Å; E178-T189 PolarHBondContact O-N 2.96Å
179	Y	93.3	Very high	90.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.5	172.1	-72.1	-93.4	0	0	0	110.4	Q160 S163 G164 V166 E168 V177 V186 T187 R188	Q160-Y179 HydrophobicContact CB-CD1 4.13Å; Q160-Y179 HydrophobicContact CB-CD2 4.26Å; Q160-Y179 HydrophobicContact CB-CE1 4.11Å; Q160-Y179 HydrophobicContact CB-CE2 4.26Å; Q160-Y179 HydrophobicContact CB-CG 4.2Å; S163-Y179 CarbonylContact C-O 3.56Å; S163-Y179 WeakPolarHBondContact CA-O 3.38Å; S163-Y179 WeakPolarHBondContact CB-O 3.33Å; G164-Y179 PolarHBondContact N-O 2.72Å; G164-Y179 PolarHBondContact O-N 2.88Å; V166-Y179 HydrophobicContact CG2-CD2 3.96Å; V166-Y179 HydrophobicContact CG2-CE2 3.77Å; E168-Y179 WeakPolarHBondContact OE1-CE2 3.24Å; E168-Y179 PolarHBondContact OE1-OH 2.79Å; E168-Y179 PolarHBondContact OE2-OH 3.19Å; V177-Y179 HydrophobicContact CB-CE2 4.27Å; V177-Y179 HydrophobicContact CG1-CD2 4Å; V177-Y179 HydrophobicContact CG1-CE2 3.47Å; V177-Y179 VanDerWaalsContact CG1-CE2 3.47Å; Y179-V186 HydrophobicContact CD1-CG1 3.66Å; Y179-V186 HydrophobicContact CE1-CG1 4.4Å; Y179-T187 CarbonylContact C-O 3.49Å; Y179-T187 WeakPolarHBondContact CA-O 3.46Å; Y179-R188 HydrophobicContact CD1-CB 4.1Å; Y179-R188 HydrophobicContact CD1-CG 4.32Å; Y179-R188 HydrophobicContact CE1-CB 3.79Å; Y179-R188 HydrophobicContact CE1-CG 3.74Å; Y179-R188 HydrophobicContact CE2-CG 4.26Å; Y179-R188 WeakPolarHBondContact OH-CD 3.4Å
180	K	93.8	Very high	91.1	Very high	122 Å²	122	44.6 Å²	44.6	53%	0.53	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	104.7	169.1	-64.9	-176.1	-177.6	180	0	108.4	E178 T187	E178-K180 WeakPolarHBondContact OE1-CE 3.13Å; E178-K180 IonicContact OE1-NZ 3.72Å; K180-T187 PolarHBondContact N-O 2.73Å; K180-T187 PolarHBondContact O-N 3.11Å
181	A	89.4	Confident	91.2	Very high	38 Å²	38	46.8 Å²	46.8	31%	0.314	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.8	175.2	0	0	0	0	0	110.2	C161 S163 V186	C161-A181 WeakPolarHBondContact O-CB 3.45Å; S163-A181 PolarHBondContact OG-N 3.14Å; A181-V186 HydrophobicContact CB-CG2 4.18Å
182	A	86.3	Confident	91.1	Very high	66 Å²	66	48.1 Å²	48.1	55%	0.545	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	168.6	167.9	0	0	0	0	0	108.5	G184 Q185	A182-G184 PolarHBondContact O-N 2.03Å; A182-Q185 CarbonylContact C-O 3.57Å; A182-Q185 PolarHBondContact N-O 3.4Å; A182-Q185 PolarHBondContact O-N 3.29Å; A182-Q185 VanDerWaalsContact O-N 3.09Å
183	Q	83.1	Confident	90.9	Very high	203 Å²	203	56.5 Å²	56.5	95%	0.949	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	117.4	179.7	-81.1	-179.2	-17.4	0	0	111.1	Q185	Q183-Q185 PolarHBondContact O-N 3.03Å; Q183-Q185 VanDerWaalsContact O-N 3.15Å
184	G	81.6	Confident	90.7	Very high	45 Å²	45	59.2 Å²	59.2	46%	0.464	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	0.9	179	0	0	0	0	0	115.9	A182 L223	A182-G184 PolarHBondContact O-N 2.03Å; G184-L223 PolarHBondContact O-N 3.21Å
185	Q	91.1	Very high	90.5	Very high	84 Å²	84	53.5 Å²	53.5	39%	0.393	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.2	-176.8	-170.6	178.2	62.4	0	0	112	A182 Q183 V220 F221	A182-Q185 CarbonylContact C-O 3.57Å; A182-Q185 PolarHBondContact N-O 3.4Å; A182-Q185 PolarHBondContact O-N 3.29Å; A182-Q185 VanDerWaalsContact O-N 3.09Å; Q183-Q185 PolarHBondContact O-N 3.03Å; Q183-Q185 VanDerWaalsContact O-N 3.15Å; Q185-V220 HydrophobicContact CG-CG1 3.8Å; Q185-F221 CarbonylContact C-O 3.55Å; Q185-F221 VanDerWaalsContact CA-O 3.28Å; Q185-F221 WeakPolarHBondContact CA-O 3.3Å; Q185-F221 WeakPolarHBondContact CG-O 3.28Å
186	V	92.6	Very high	89.9	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.9	174.8	178.7	0	0	0	0	109.1	Q160 Y179 A181 F221 L223	Q160-V186 WeakPolarHBondContact O-CG1 3.45Å; Y179-V186 HydrophobicContact CD1-CG1 3.66Å; Y179-V186 HydrophobicContact CE1-CG1 4.4Å; A181-V186 HydrophobicContact CB-CG2 4.18Å; V186-F221 HydrophobicContact CB-CB 4.25Å; V186-F221 PolarHBondContact N-O 3.46Å; V186-F221 WeakPolarHBondContact O-CD2 3.27Å; V186-F221 PolarHBondContact O-N 2.92Å; V186-L223 HydrophobicContact CG2-CD1 3.79Å
187	T	94.4	Very high	88.9	Confident	35 Å²	35	62.3 Å²	62.3	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.2	172.7	-58.3	0	0	0	0	109.5	Y179 K180 V218 V220	Y179-T187 CarbonylContact C-O 3.49Å; Y179-T187 WeakPolarHBondContact CA-O 3.46Å; K180-T187 PolarHBondContact N-O 2.73Å; K180-T187 PolarHBondContact O-N 3.11Å; T187-V218 HydrophobicContact CG2-CG1 3.83Å; T187-V220 HydrophobicContact CG2-CG2 4.46Å
188	R	94.7	Very high	87.2	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.008	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.2	174.5	-178.3	179.3	69	-177.5	-3	109.1	S155 Q158 V177 E178 Y179 V218 T219 F221	S155-R188 PolarHBondContact O-NH1 2.88Å; S155-R188 PolarHBondContact O-NH2 3.35Å; Q158-R188 PolarHBondContact O-NH1 2.88Å; V177-R188 HydrophobicContact CG1-CG 3.31Å; E178-R188 WeakPolarHBondContact O-CA 3.49Å; Y179-R188 HydrophobicContact CD1-CB 4.1Å; Y179-R188 HydrophobicContact CD1-CG 4.32Å; Y179-R188 HydrophobicContact CE1-CB 3.79Å; Y179-R188 HydrophobicContact CE1-CG 3.74Å; Y179-R188 HydrophobicContact CE2-CG 4.26Å; Y179-R188 WeakPolarHBondContact OH-CD 3.4Å; R188-V218 CarbonylContact O-C 3.55Å; R188-V218 WeakPolarHBondContact O-CA 3.49Å; R188-T219 PolarHBondContact N-O 2.75Å; R188-T219 PolarHBondContact NE-OG1 3.35Å; R188-T219 PolarHBondContact NH2-OG1 2.86Å; R188-T219 VanDerWaalsContact NH2-OG1 3.1Å; R188-T219 PolarHBondContact O-N 3.2Å; R188-F221 HydrophobicContact CB-CD2 4.41Å; R188-F221 HydrophobicContact CB-CE2 3.76Å
189	T	95.3	Very high	85.7	Confident	57 Å²	57	65.1 Å²	65.1	35%	0.35	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.7	175.1	-57	0	0	0	0	109.2	V177 E178 V218	V177-T189 WeakPolarHBondContact CA-O 3.38Å; E178-T189 PolarHBondContact N-O 3.38Å; E178-T189 PolarHBondContact O-N 2.96Å; T189-V218 HydrophobicContact CG2-CG2 4.47Å
190	K	93.9	Very high	84.2	Confident	6 Å²	6	71 Å²	71	3%	0.026	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.3	-179.8	-175.1	-175.3	-63.3	-172.5	0	110.1	D170 S172 C175 V177 L192 S217	D170-K190 IonicContact OD1-NZ 3.24Å; D170-K190 PolarHBondContact OD1-NZ 2.98Å; D170-K190 WeakPolarHBondContact OD2-CE 3.4Å; D170-K190 IonicContact OD2-NZ 2.86Å; D170-K190 PolarHBondContact OD2-NZ 2.82Å; S172-K190 VanDerWaalsContact CB-NZ 3.31Å; S172-K190 PolarHBondContact OG-NZ 3.34Å; C175-K190 HydrophobicContact CB-CD 4.04Å; C175-K190 HydrophobicContact CB-CG 3.87Å; V177-K190 HydrophobicContact CG2-CB 4.48Å; V177-K190 HydrophobicContact CG2-CG 4.22Å; K190-L192 HydrophobicContact CD-CD2 3.71Å; K190-L192 HydrophobicContact CG-CD2 4.19Å; K190-L192 PolarHBondContact O-N 2.92Å; K190-S217 PolarHBondContact N-O 2.93Å
191	A	92	Very high	83.5	Confident	46 Å²	46	67.1 Å²	67.1	38%	0.38	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	88.9	172.9	0	0	0	0	0	109.6	T176 E193 T194	T176-A191 PolarHBondContact O-N 2.88Å; A191-E193 PolarHBondContact O-N 3.13Å; A191-T194 HydrophobicContact CB-CG2 4.13Å; A191-T194 PolarHBondContact O-N 3.21Å; A191-T194 PolarHBondContact O-OG1 3.29Å
192	L	88.3	Confident	83.3	Confident	29 Å²	29	68 Å²	68	15%	0.152	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	-28.8	-172.1	-69.5	169.9	0	0	0	113.8	K190 T194 C195	K190-L192 HydrophobicContact CD-CD2 3.71Å; K190-L192 HydrophobicContact CG-CD2 4.19Å; K190-L192 PolarHBondContact O-N 2.92Å; L192-T194 PolarHBondContact O-N 3.24Å; L192-C195 VanDerWaalsContact O-CB 3.29Å; L192-C195 WeakPolarHBondContact O-CB 3.43Å; L192-C195 PolarHBondContact O-N 3.36Å
193	E	84.1	Confident	83.2	Confident	181 Å²	181	67.7 Å²	67.7	85%	0.846	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	-23.7	176.3	-62.2	176.6	-175.1	0	0	113.2	A191	A191-E193 PolarHBondContact O-N 3.13Å
194	T	86.7	Confident	83.2	Confident	63 Å²	63	58.5 Å²	58.5	39%	0.387	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-5.5	178.9	68.8	0	0	0	0	113.3	T176 A191 L192 K196	T176-T194 WeakPolarHBondContact CB-OG1 3.31Å; T176-T194 PolarHBondContact N-OG1 3.36Å; T176-T194 PolarHBondContact OG1-OG1 3.46Å; A191-T194 HydrophobicContact CB-CG2 4.13Å; A191-T194 PolarHBondContact O-N 3.21Å; A191-T194 PolarHBondContact O-OG1 3.29Å; L192-T194 PolarHBondContact O-N 3.24Å; T194-K196 PolarHBondContact O-N 3.08Å
195	C	85.9	Confident	83.1	Confident	26 Å²	26	58.3 Å²	58.3	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.2	-175.8	-68.6	0	0	0	0	111.5	R174 C175 L192	R174-C195 VanDerWaalsContact O-CA 3.32Å; R174-C195 WeakPolarHBondContact O-CA 3.39Å; C175-C195 HydrophobicContact CB-CB 4.17Å; C175-C195 WeakPolarHBondContact CB-SG 3.46Å; C175-C195 VanDerWaalsContact SG-CA 3.59Å; C175-C195 WeakPolarHBondContact SG-CB 3.25Å; C175-C195 CovalentContact SG-SG 2.03Å; C175-C195 PolarHBondContact SG-SG 2.95Å; L192-C195 VanDerWaalsContact O-CB 3.29Å; L192-C195 WeakPolarHBondContact O-CB 3.43Å; L192-C195 PolarHBondContact O-N 3.36Å
196	K	79.9	Confident	82.7	Confident	167 Å²	167	55.2 Å²	55.2	73%	0.726	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.2	171.9	-62.8	-173.5	179.4	-173.5	0	110.3	R174 T194	R174-K196 PolarHBondContact N-O 3.18Å; R174-K196 PolarHBondContact O-N 2.94Å; T194-K196 PolarHBondContact O-N 3.08Å
197	T	71.8	Confident	82.3	Confident	71 Å²	71	61 Å²	61	44%	0.436	34%	0.344	S	S	.	.			trans	-120.9	163.5	176	59.8	0	0	0	0	111.3	S172 E199	S172-T197 WeakPolarHBondContact O-CG2 3.22Å; T197-E199 PolarHBondContact OG1-O 2.9Å
198	A	58.8	Low	81.9	Confident	74 Å²	74	59.7 Å²	59.7	61%	0.612	34%	0.336	S	S	*	.	S	Bend	trans	-84	-7.6	-178.4	0	0	0	0	0	114.2	K294	A198-K294 WeakPolarHBondContact O-CE 3.44Å; A198-K294 PolarHBondContact O-NZ 3.11Å
199	E	63.4	Low	81.4	Confident	47 Å²	47	60.6 Å²	60.6	22%	0.22	34%	0.341	C	S	.	.			trans	-108	121	176.6	-69.2	-169.9	157.6	0	0	108.8	T197 K294 V741 K749	T197-E199 PolarHBondContact OG1-O 2.9Å; E199-K294 HydrophobicContact CG-CD 3.94Å; E199-K294 HydrophobicContact CG-CG 3.92Å; E199-K294 WeakPolarHBondContact OE1-CG 3.27Å; E199-V741 HydrophobicContact CB-CB 4.31Å; E199-V741 WeakPolarHBondContact OE2-CG1 3.3Å; E199-K749 IonicContact OE1-NZ 2.85Å; E199-K749 PolarHBondContact OE1-NZ 3.4Å; E199-K749 VanDerWaalsContact OE1-NZ 3.09Å; E199-K749 IonicContact OE2-NZ 3.02Å; E199-K749 PolarHBondContact OE2-NZ 2.91Å
200	T	62.2	Low	81.1	Confident	127 Å²	127	58 Å²	58	78%	0.779	33%	0.326	S	S	*	.			trans	-104.5	131.6	179	51.4	0	0	0	0	109.4
201	G	77.2	Confident	80.9	Confident	39 Å²	39	58.6 Å²	58.6	40%	0.402	33%	0.33	S	S	.	.			trans	-81.8	-179.7	164.6	0	0	0	0	0	112.2	S739	G201-S739 CarbonylContact C-O 3.57Å; G201-S739 WeakPolarHBondContact CA-O 3.49Å
202	F	85.8	Confident	80.7	Confident	56 Å²	56	58.6 Å²	58.6	25%	0.246	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-133.4	153.4	166.3	48.6	-100.6	0	0	0	109.6	H403 D737 H738 S739	F202-H403 HydrophobicContact CB-CB 4.19Å; F202-H403 AromaticContact CD1-NE2 3.96Å; F202-H403 AromaticContact CD2-CE1 3.58Å; F202-H403 AromaticContact CD2-ND1 3.54Å; F202-H403 AromaticContact CE2-CE1 3.63Å; F202-H403 AromaticContact CG-CE1 3.89Å; F202-H403 AromaticContact CG-CG 3.99Å; F202-H403 AromaticContact CG-ND1 3.91Å; F202-H403 AromaticContact CG-NE2 3.95Å; F202-H403 AromaticContact CZ-CE1 3.97Å; F202-D737 WeakPolarHBondContact CE2-OD2 3.35Å; F202-H738 WeakPolarHBondContact O-CA 3.32Å; F202-S739 VanDerWaalsContact CZ-CB 3.41Å; F202-S739 PolarHBondContact N-O 3.07Å; F202-S739 PolarHBondContact O-N 3.33Å
203	T	84.9	Confident	80.7	Confident	61 Å²	61	59.2 Å²	59.2	37%	0.374	34%	0.341	S	S	.	.			trans	-142.9	151.7	173.7	-169.5	0	0	0	0	108.7	H738	T203-H738 WeakPolarHBondContact CB-ND1 3.4Å; T203-H738 PolarHBondContact OG1-ND1 3.49Å
204	T	83.6	Confident	80.9	Confident	10 Å²	10	57.7 Å²	57.7	6%	0.061	33%	0.333	C	S	.	.			trans	-63.5	149.4	170.8	-175.9	0	0	0	0	110.7	I206 L209 D737	T204-I206 PolarHBondContact OG1-N 3.28Å; T204-L209 HydrophobicContact CG2-CB 4.44Å; T204-D737 PolarHBondContact N-O 3.39Å
205	Y	78.6	Confident	81.2	Confident	41 Å²	41	56.7 Å²	56.7	16%	0.161	33%	0.329	C	S	.	.	S	Bend	trans	-80.1	-25.9	175.2	71.4	-85.3	0	0	0	111.8	Q207 K439	Y205-Q207 PolarHBondContact O-N 3.11Å; Y205-Q207 VanDerWaalsContact O-N 3.09Å; Y205-K439 HydrophobicContact CD1-CB 4.43Å; Y205-K439 HydrophobicContact CD1-CD 4.33Å; Y205-K439 HydrophobicContact CD1-CG 4.02Å; Y205-K439 HydrophobicContact CE1-CB 4.29Å; Y205-K439 HydrophobicContact CE1-CD 3.55Å; Y205-K439 VanDerWaalsContact CE1-CE 3.44Å; Y205-K439 HydrophobicContact CE1-CG 3.41Å; Y205-K439 VanDerWaalsContact CE1-CG 3.41Å; Y205-K439 HydrophobicContact CE2-CG 4.39Å; Y205-K439 WeakPolarHBondContact OH-CE 3.46Å
206	I	82.9	Confident	81.6	Confident	18 Å²	18	58.2 Å²	58.2	9%	0.092	34%	0.34	C	S	.	.			trans	-72.1	106.1	179.7	-57.7	174.4	0	0	0	108	T204 V208 L209 G210 L660	T204-I206 PolarHBondContact OG1-N 3.28Å; I206-V208 VanDerWaalsContact C-N 3.29Å; I206-V208 HydrophobicContact CG2-CB 4.35Å; I206-V208 PolarHBondContact O-N 3.08Å; I206-L209 HydrophobicContact CB-CB 4.28Å; I206-L209 HydrophobicContact CB-CD1 4.46Å; I206-L209 HydrophobicContact CD1-CD1 4.01Å; I206-L209 HydrophobicContact CG2-CB 4.13Å; I206-L209 HydrophobicContact CG2-CD1 4.14Å; I206-L209 HydrophobicContact CG2-CG 3.95Å; I206-L209 CarbonylContact O-C 3.51Å; I206-L209 PolarHBondContact O-N 2.9Å; I206-L209 VanDerWaalsContact O-N 3.16Å; I206-G210 PolarHBondContact O-N 2.99Å; I206-L660 HydrophobicContact CD1-CD1 4.3Å; I206-L660 HydrophobicContact CG2-CD1 3.85Å; I206-L660 HydrophobicContact CG2-CD2 4.22Å; I206-L660 HydrophobicContact CG2-CG 4.44Å
207	Q	83.3	Confident	82.3	Confident	124 Å²	124	50.3 Å²	50.3	58%	0.579	31%	0.306	S	S	*	.	S	Bend	trans	-59.2	-38.8	-176.3	-67.4	-173.7	-2.6	0	0	112.4	Y205 L209 G210 N242 A658	Y205-Q207 PolarHBondContact O-N 3.11Å; Y205-Q207 VanDerWaalsContact O-N 3.09Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 3.02Å; Q207-G210 PolarHBondContact O-N 3.3Å; Q207-N242 WeakPolarHBondContact O-CB 3.44Å; Q207-N242 PolarHBondContact O-ND2 2.84Å; Q207-A658 HydrophobicContact CB-CB 3.72Å
208	V	86.6	Confident	83.5	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.055	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-41	178.9	179.9	0	0	0	0	112	I206 G210 A243 A658 L660	I206-V208 VanDerWaalsContact C-N 3.29Å; I206-V208 HydrophobicContact CG2-CB 4.35Å; I206-V208 PolarHBondContact O-N 3.08Å; V208-G210 VanDerWaalsContact C-N 3.3Å; V208-A243 PolarHBondContact O-N 3.28Å; V208-A658 HydrophobicContact CG2-CB 3.82Å; V208-A658 WeakPolarHBondContact CG2-O 3.43Å; V208-L660 HydrophobicContact CB-CB 3.99Å; V208-L660 HydrophobicContact CB-CD2 4.22Å; V208-L660 HydrophobicContact CG1-CB 4.24Å; V208-L660 HydrophobicContact CG1-CD2 4.14Å; V208-L660 HydrophobicContact CG2-CB 3.89Å
209	L	85.3	Confident	85.3	Confident	20 Å²	20	45.9 Å²	45.9	11%	0.105	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.6	177.9	-59.3	176.9	0	0	0	112.9	T204 I206 Q207 L660 F698 L735 T736	T204-L209 HydrophobicContact CG2-CB 4.44Å; I206-L209 HydrophobicContact CB-CB 4.28Å; I206-L209 HydrophobicContact CB-CD1 4.46Å; I206-L209 HydrophobicContact CD1-CD1 4.01Å; I206-L209 HydrophobicContact CG2-CB 4.13Å; I206-L209 HydrophobicContact CG2-CD1 4.14Å; I206-L209 HydrophobicContact CG2-CG 3.95Å; I206-L209 CarbonylContact O-C 3.51Å; I206-L209 PolarHBondContact O-N 2.9Å; I206-L209 VanDerWaalsContact O-N 3.16Å; Q207-L209 VanDerWaalsContact C-N 3.32Å; Q207-L209 PolarHBondContact O-N 3.02Å; L209-L660 HydrophobicContact CD1-CD2 3.92Å; L209-L660 HydrophobicContact CD2-CD2 3.96Å; L209-L660 HydrophobicContact CG-CD2 3.72Å; L209-F698 HydrophobicContact CD1-CD1 4.29Å; L209-L735 HydrophobicContact CD1-CB 4.28Å; L209-L735 HydrophobicContact CD1-CD2 4.48Å; L209-T736 WeakPolarHBondContact O-CB 3.28Å; L209-T736 WeakPolarHBondContact O-CG2 3.36Å; L209-T736 PolarHBondContact O-OG1 3.48Å
210	G	87.8	Confident	86.8	Confident	4 Å²	4	45.5 Å²	45.5	4%	0.041	27%	0.272	C	S	.	.	S	Bend	trans	-83.1	173.4	-174.7	0	0	0	0	0	114.3	I206 Q207 V208 N242	I206-G210 PolarHBondContact O-N 2.99Å; Q207-G210 PolarHBondContact O-N 3.3Å; V208-G210 VanDerWaalsContact C-N 3.3Å; G210-N242 WeakPolarHBondContact O-CB 3.41Å; G210-N242 PolarHBondContact O-N 2.91Å
211	V	90.1	Very high	88.4	Confident	17 Å²	17	39.5 Å²	39.5	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.2	170.5	178.9	0	0	0	0	107.5	L239 A240 V241 T736 H738 F754	V211-L239 HydrophobicContact CG1-CB 4.14Å; V211-A240 WeakPolarHBondContact CA-O 3.46Å; V211-A240 WeakPolarHBondContact CG1-O 3.4Å; V211-V241 HydrophobicContact CG2-CG2 4.47Å; V211-T736 HydrophobicContact CG2-CG2 4.34Å; V211-H738 HydrophobicContact CB-CB 4.13Å; V211-H738 HydrophobicContact CG2-CB 3.74Å; V211-F754 HydrophobicContact CG1-CD2 4.16Å; V211-F754 HydrophobicContact CG1-CE2 4.3Å; V211-F754 HydrophobicContact CG2-CB 3.69Å; V211-F754 HydrophobicContact CG2-CD1 4.45Å; V211-F754 HydrophobicContact CG2-CD2 4.22Å; V211-F754 HydrophobicContact CG2-CG 3.89Å
212	S	88.9	Confident	89.1	Confident	47 Å²	47	39.9 Å²	39.9	33%	0.329	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	153.3	169.7	55.4	0	0	0	0	110	L239 A240 N242	S212-L239 WeakPolarHBondContact O-CA 3.23Å; S212-A240 PolarHBondContact N-O 3.32Å; S212-A240 PolarHBondContact O-N 3.26Å; S212-N242 WeakPolarHBondContact CB-OD1 3.34Å; S212-N242 PolarHBondContact N-OD1 3.29Å; S212-N242 PolarHBondContact OG-OD1 2.85Å
213	G	86.4	Confident	89.3	Confident	41 Å²	41	38.7 Å²	38.7	42%	0.423	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	148.6	179.5	0	0	0	0	0	113.6	I238	G213-I238 CarbonylContact C-O 3.6Å; G213-I238 WeakPolarHBondContact CA-O 3.26Å
214	E	89.9	Confident	89.2	Confident	149 Å²	149	40.3 Å²	40.3	70%	0.696	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.8	171.5	-70	-179.4	-176.1	0	0	108.4	H237 I238	E214-H237 WeakPolarHBondContact O-CA 3.02Å; E214-I238 PolarHBondContact N-O 2.81Å; E214-I238 PolarHBondContact O-N 2.84Å
215	S	91.9	Very high	88.6	Confident	42 Å²	42	48 Å²	48	29%	0.294	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.5	-179.7	-61.1	0	0	0	0	110.1	T236 H237	S215-T236 CarbonylContact C-O 3.53Å; S215-T236 WeakPolarHBondContact CA-O 3.29Å; S215-H237 WeakPolarHBondContact CB-ND1 3.32Å; S215-H237 PolarHBondContact OG-ND1 2.9Å
216	S	93.8	Very high	88.2	Confident	59 Å²	59	48.2 Å²	48.2	41%	0.413	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137	176.8	59	0	0	0	0	110.3	E235 T236	S216-E235 CarbonylContact O-C 3.58Å; S216-E235 VanDerWaalsContact O-CA 3.25Å; S216-E235 WeakPolarHBondContact O-CA 3.3Å; S216-T236 PolarHBondContact N-O 2.72Å; S216-T236 PolarHBondContact O-N 3.32Å
217	S	95.9	Very high	88.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.7	171.9	169.6	0	0	0	0	108.9	K190 Q745	K190-S217 PolarHBondContact N-O 2.93Å; S217-Q745 PolarHBondContact OG-OE1 3.43Å
218	V	96.6	Very high	88.3	Confident	51 Å²	51	42.6 Å²	42.6	31%	0.309	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.4	-179.1	-177	0	0	0	0	108.6	T187 R188 T189 V220 A233 K234	T187-V218 HydrophobicContact CG2-CG1 3.83Å; R188-V218 CarbonylContact O-C 3.55Å; R188-V218 WeakPolarHBondContact O-CA 3.49Å; T189-V218 HydrophobicContact CG2-CG2 4.47Å; V218-V220 HydrophobicContact CG1-CG2 4.33Å; V218-A233 CarbonylContact O-C 3.49Å; V218-A233 WeakPolarHBondContact O-CA 3.39Å; V218-K234 PolarHBondContact N-O 3.39Å; V218-K234 PolarHBondContact O-N 2.68Å
219	T	96.2	Very high	88.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.7	171.2	-43.1	0	0	0	0	109.4	L156 R188 F221 I232 A233 Q745	L156-T219 HydrophobicContact CD2-CG2 4.15Å; R188-T219 PolarHBondContact N-O 2.75Å; R188-T219 PolarHBondContact NE-OG1 3.35Å; R188-T219 PolarHBondContact NH2-OG1 2.86Å; R188-T219 VanDerWaalsContact NH2-OG1 3.1Å; R188-T219 PolarHBondContact O-N 3.2Å; T219-F221 HydrophobicContact CG2-CD1 4.37Å; T219-F221 HydrophobicContact CG2-CD2 4.24Å; T219-F221 HydrophobicContact CG2-CE1 3.73Å; T219-F221 HydrophobicContact CG2-CE2 3.61Å; T219-F221 HydrophobicContact CG2-CZ 3.33Å; T219-I232 CarbonylContact C-O 3.58Å; T219-I232 WeakPolarHBondContact CA-O 3.25Å; T219-A233 HydrophobicContact CG2-CB 3.91Å; T219-Q745 PolarHBondContact OG1-NE2 2.86Å
220	V	95.9	Very high	88.9	Confident	40 Å²	40	46.2 Å²	46.2	24%	0.242	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.6	175.3	-178.8	0	0	0	0	108.3	Q185 T187 V218 A231 I232	Q185-V220 HydrophobicContact CG-CG1 3.8Å; T187-V220 HydrophobicContact CG2-CG2 4.46Å; V218-V220 HydrophobicContact CG1-CG2 4.33Å; V220-A231 WeakPolarHBondContact O-CA 3.41Å; V220-I232 PolarHBondContact N-O 2.95Å; V220-I232 PolarHBondContact O-N 2.8Å
221	F	94.1	Very high	89.3	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129	177.1	-59.8	-80.1	0	0	0	109.5	L156 V159 Q185 V186 R188 T219 S230 A231	L156-F221 WeakPolarHBondContact O-CE1 3.37Å; V159-F221 HydrophobicContact CG2-CB 4.46Å; V159-F221 HydrophobicContact CG2-CD1 3.4Å; V159-F221 HydrophobicContact CG2-CD2 3.72Å; V159-F221 HydrophobicContact CG2-CE1 3.32Å; V159-F221 HydrophobicContact CG2-CE2 3.63Å; V159-F221 HydrophobicContact CG2-CG 3.59Å; V159-F221 HydrophobicContact CG2-CZ 3.42Å; V159-F221 VanDerWaalsContact CG2-CZ 3.42Å; Q185-F221 CarbonylContact C-O 3.55Å; Q185-F221 VanDerWaalsContact CA-O 3.28Å; Q185-F221 WeakPolarHBondContact CA-O 3.3Å; Q185-F221 WeakPolarHBondContact CG-O 3.28Å; V186-F221 HydrophobicContact CB-CB 4.25Å; V186-F221 PolarHBondContact N-O 3.46Å; V186-F221 WeakPolarHBondContact O-CD2 3.27Å; V186-F221 PolarHBondContact O-N 2.92Å; R188-F221 HydrophobicContact CB-CD2 4.41Å; R188-F221 HydrophobicContact CB-CE2 3.76Å; T219-F221 HydrophobicContact CG2-CD1 4.37Å; T219-F221 HydrophobicContact CG2-CD2 4.24Å; T219-F221 HydrophobicContact CG2-CE1 3.73Å; T219-F221 HydrophobicContact CG2-CE2 3.61Å; T219-F221 HydrophobicContact CG2-CZ 3.33Å; F221-S230 CarbonylContact C-O 3.58Å; F221-S230 WeakPolarHBondContact CA-O 3.2Å; F221-A231 HydrophobicContact CD1-CB 3.5Å; F221-A231 VanDerWaalsContact CD1-CB 3.5Å; F221-A231 HydrophobicContact CE1-CB 3.54Å
222	T	93.3	Very high	89.6	Confident	48 Å²	48	49.6 Å²	49.6	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.8	168.4	-46.8	0	0	0	0	107.6	K229 S230	T222-K229 WeakPolarHBondContact O-CB 3.46Å; T222-K229 PolarHBondContact O-N 2.89Å; T222-S230 VanDerWaalsContact CB-OG 3.28Å; T222-S230 WeakPolarHBondContact CB-OG 3.28Å; T222-S230 PolarHBondContact N-O 2.89Å; T222-S230 PolarHBondContact O-N 3.36Å; T222-S230 PolarHBondContact OG1-OG 2.96Å
223	L	88.6	Confident	89.9	Confident	30 Å²	30	47.4 Å²	47.4	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.5	-177.7	-56.9	179.3	0	0	0	110.2	G184 V186 F227 I228	G184-L223 PolarHBondContact O-N 3.21Å; V186-L223 HydrophobicContact CG2-CD1 3.79Å; L223-F227 CarbonylContact C-O 3.51Å; L223-F227 WeakPolarHBondContact CA-O 3.44Å; L223-I228 HydrophobicContact CD2-CG1 4Å
224	E	83.3	Confident	90.4	Very high	96 Å²	96	50.4 Å²	50.4	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.8	172.7	-170.3	166.4	-135.6	0	0	106.9	G226 F227 K229	E224-G226 PolarHBondContact O-N 2.73Å; E224-F227 PolarHBondContact N-O 2.94Å; E224-F227 PolarHBondContact O-N 3.34Å; E224-K229 HydrophobicContact CB-CB 4.04Å; E224-K229 HydrophobicContact CB-CD 4.24Å; E224-K229 IonicContact OE1-NZ 3.86Å; E224-K229 PolarHBondContact OE1-NZ 3.47Å; E224-K229 WeakPolarHBondContact OE2-CD 3.38Å; E224-K229 WeakPolarHBondContact OE2-CE 3.49Å; E224-K229 IonicContact OE2-NZ 2.88Å; E224-K229 PolarHBondContact OE2-NZ 3.19Å
225	D	72.2	Confident	90.7	Very high	171 Å²	171	43.4 Å²	43.4	91%	0.914	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	31.8	-173.2	-57.5	-36.9	0	0	0	114.8	F227	D225-F227 VanDerWaalsContact C-N 3.28Å; D225-F227 PolarHBondContact O-N 3.17Å
226	G	68.8	Low	90.8	Very high	46 Å²	46	42 Å²	42	47%	0.474	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	6.9	-179.5	0	0	0	0	0	114.9	E224	E224-G226 PolarHBondContact O-N 2.73Å
227	F	80.4	Confident	90.8	Very high	21 Å²	21	39.6 Å²	39.6	9%	0.092	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	160.6	176.4	-167.9	-107.1	0	0	0	112.3	P27 L29 Y35 F37 L223 E224 D225 K229	P27-F227 HydrophobicContact CB-CD2 3.99Å; P27-F227 HydrophobicContact CB-CE2 4.42Å; L29-F227 HydrophobicContact CD1-CE2 3.67Å; L29-F227 HydrophobicContact CD1-CZ 4.28Å; L29-F227 HydrophobicContact CG-CE2 3.73Å; L29-F227 HydrophobicContact CG-CZ 4.06Å; Y35-F227 AromaticContact CD1-CD1 3.97Å; Y35-F227 HydrophobicContact CD1-CD1 3.97Å; Y35-F227 AromaticContact CD1-CE1 3.37Å; Y35-F227 HydrophobicContact CD1-CE1 3.37Å; Y35-F227 AromaticContact CD1-CZ 3.97Å; Y35-F227 HydrophobicContact CD1-CZ 3.97Å; Y35-F227 AromaticContact CE1-CD1 3.82Å; Y35-F227 HydrophobicContact CE1-CD1 3.82Å; Y35-F227 AromaticContact CE1-CE1 3.6Å; Y35-F227 HydrophobicContact CE1-CE1 3.6Å; Y35-F227 HydrophobicContact CE1-CG 4.47Å; Y35-F227 HydrophobicContact CE1-CZ 4.14Å; Y35-F227 AromaticContact CG-CE1 3.99Å; Y35-F227 HydrophobicContact CG-CE1 3.99Å; Y35-F227 HydrophobicContact CG-CZ 4.2Å; F37-F227 HydrophobicContact CE2-CE1 4.32Å; F37-F227 HydrophobicContact CE2-CZ 4.48Å; F37-F227 AromaticContact CZ-CE1 3.63Å; F37-F227 HydrophobicContact CZ-CE1 3.63Å; F37-F227 HydrophobicContact CZ-CZ 4.04Å; L223-F227 CarbonylContact C-O 3.51Å; L223-F227 WeakPolarHBondContact CA-O 3.44Å; E224-F227 PolarHBondContact N-O 2.94Å; E224-F227 PolarHBondContact O-N 3.34Å; D225-F227 VanDerWaalsContact C-N 3.28Å; D225-F227 PolarHBondContact O-N 3.17Å; F227-K229 PolarHBondContact O-N 3.09Å
228	I	87.3	Confident	90.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	107.1	-176.3	-56.8	172.9	0	0	0	109.7	P27 F37 L157 V159 L223 A231	P27-I228 HydrophobicContact CB-CG1 4.38Å; P27-I228 HydrophobicContact CG-CD1 4.12Å; P27-I228 HydrophobicContact CG-CG1 4.22Å; F37-I228 WeakPolarHBondContact CE1-O 3.48Å; L157-I228 HydrophobicContact CD2-CD1 4.27Å; V159-I228 HydrophobicContact CG2-CD1 3.95Å; V159-I228 HydrophobicContact CG2-CG1 4.49Å; L223-I228 HydrophobicContact CD2-CG1 4Å; I228-A231 HydrophobicContact CG2-CB 4.23Å
229	K	91.5	Very high	90.5	Very high	88 Å²	88	39.6 Å²	39.6	38%	0.383	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-44.1	167.7	-174	-175.9	-164.6	141.1	0	110.8	T222 E224 F227 L259	T222-K229 WeakPolarHBondContact O-CB 3.46Å; T222-K229 PolarHBondContact O-N 2.89Å; E224-K229 HydrophobicContact CB-CB 4.04Å; E224-K229 HydrophobicContact CB-CD 4.24Å; E224-K229 IonicContact OE1-NZ 3.86Å; E224-K229 PolarHBondContact OE1-NZ 3.47Å; E224-K229 WeakPolarHBondContact OE2-CD 3.38Å; E224-K229 WeakPolarHBondContact OE2-CE 3.49Å; E224-K229 IonicContact OE2-NZ 2.88Å; E224-K229 PolarHBondContact OE2-NZ 3.19Å; F227-K229 PolarHBondContact O-N 3.09Å; K229-L259 PolarHBondContact O-N 3.36Å
230	S	94	Very high	90.3	Very high	18 Å²	18	40.2 Å²	40.2	13%	0.126	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	149.2	174.7	68.3	0	0	0	0	113.1	F221 T222 L257	F221-S230 CarbonylContact C-O 3.58Å; F221-S230 WeakPolarHBondContact CA-O 3.2Å; T222-S230 VanDerWaalsContact CB-OG 3.28Å; T222-S230 WeakPolarHBondContact CB-OG 3.28Å; T222-S230 PolarHBondContact N-O 2.89Å; T222-S230 PolarHBondContact O-N 3.36Å; T222-S230 PolarHBondContact OG1-OG 2.96Å; S230-L257 CarbonylContact C-O 3.46Å; S230-L257 WeakPolarHBondContact CA-O 3.33Å
231	A	95.1	Very high	90	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116	171	0	0	0	0	0	109.3	V220 F221 I228 S256 L257	V220-A231 WeakPolarHBondContact O-CA 3.41Å; F221-A231 HydrophobicContact CD1-CB 3.5Å; F221-A231 VanDerWaalsContact CD1-CB 3.5Å; F221-A231 HydrophobicContact CE1-CB 3.54Å; I228-A231 HydrophobicContact CG2-CB 4.23Å; A231-S256 WeakPolarHBondContact O-CA 3.5Å; A231-L257 HydrophobicContact CB-CB 4.26Å; A231-L257 PolarHBondContact N-O 3.25Å; A231-L257 PolarHBondContact O-N 3.29Å
232	I	96.9	Very high	89.8	Confident	92 Å²	92	39.1 Å²	39.1	47%	0.472	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.8	179	-58	174.4	0	0	0	108.1	T219 V220 Q255	T219-I232 CarbonylContact C-O 3.58Å; T219-I232 WeakPolarHBondContact CA-O 3.25Å; V220-I232 PolarHBondContact N-O 2.95Å; V220-I232 PolarHBondContact O-N 2.8Å; I232-Q255 CarbonylContact C-O 3.51Å; I232-Q255 WeakPolarHBondContact CA-O 3.13Å
233	A	96.5	Very high	89.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.5	175.1	0	0	0	0	0	110.7	L156 V218 T219 R254 Q255	L156-A233 HydrophobicContact CD2-CB 4.04Å; V218-A233 CarbonylContact O-C 3.49Å; V218-A233 WeakPolarHBondContact O-CA 3.39Å; T219-A233 HydrophobicContact CG2-CB 3.91Å; A233-R254 CarbonylContact O-C 3.58Å; A233-R254 VanDerWaalsContact O-CA 3.25Å; A233-R254 WeakPolarHBondContact O-CA 3.32Å; A233-Q255 HydrophobicContact CB-CB 4.1Å; A233-Q255 PolarHBondContact N-O 3.48Å; A233-Q255 PolarHBondContact O-N 3.43Å
234	K	96.7	Very high	89.4	Confident	103 Å²	103	40.9 Å²	40.9	45%	0.448	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120	170.3	-177.4	-175.4	171.7	-165.1	0	108.5	V218 R254	V218-K234 PolarHBondContact N-O 3.39Å; V218-K234 PolarHBondContact O-N 2.68Å; K234-R254 HydrophobicContact CG-CG 4.29Å
235	E	95.9	Very high	89.4	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.1	174.4	180	172.5	-139.2	0	0	108.8	S216 H237 V252 S253 L744 Q745	S216-E235 CarbonylContact O-C 3.58Å; S216-E235 VanDerWaalsContact O-CA 3.25Å; S216-E235 WeakPolarHBondContact O-CA 3.3Å; E235-H237 WeakPolarHBondContact CG-NE2 3.44Å; E235-H237 IonicContact OE1-NE2 2.81Å; E235-H237 PolarHBondContact OE1-NE2 2.86Å; E235-V252 WeakPolarHBondContact O-CA 3.4Å; E235-S253 PolarHBondContact N-O 2.99Å; E235-S253 PolarHBondContact O-N 3.25Å; E235-L744 HydrophobicContact CG-CD2 4.48Å; E235-L744 WeakPolarHBondContact OE2-CA 3.32Å; E235-Q745 WeakPolarHBondContact OE2-CB 3.43Å; E235-Q745 PolarHBondContact OE2-N 3.07Å
236	T	94.5	Very high	90	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	128.8	-177.4	-60.8	0	0	0	0	109.5	S215 S216 I238 K250 I251 V252	S215-T236 CarbonylContact C-O 3.53Å; S215-T236 WeakPolarHBondContact CA-O 3.29Å; S216-T236 PolarHBondContact N-O 2.72Å; S216-T236 PolarHBondContact O-N 3.32Å; T236-I238 HydrophobicContact CG2-CD1 4.44Å; T236-I238 HydrophobicContact CG2-CG1 4.15Å; T236-K250 HydrophobicContact CG2-CG 4.35Å; T236-I251 CarbonylContact C-O 3.51Å; T236-I251 VanDerWaalsContact CA-O 3.28Å; T236-I251 WeakPolarHBondContact CA-O 3.37Å; T236-V252 HydrophobicContact CG2-CG2 4.21Å
237	H	94.1	Very high	90.9	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.3	171.8	-59	-87.8	0	0	0	108.4	E214 S215 E235 K250 I251 I742	E214-H237 WeakPolarHBondContact O-CA 3.02Å; S215-H237 WeakPolarHBondContact CB-ND1 3.32Å; S215-H237 PolarHBondContact OG-ND1 2.9Å; E235-H237 WeakPolarHBondContact CG-NE2 3.44Å; E235-H237 IonicContact OE1-NE2 2.81Å; E235-H237 PolarHBondContact OE1-NE2 2.86Å; H237-K250 CarbonylContact O-C 3.58Å; H237-K250 VanDerWaalsContact O-CA 3.26Å; H237-K250 WeakPolarHBondContact O-CA 3.44Å; H237-I251 HydrophobicContact CB-CB 4.3Å; H237-I251 PolarHBondContact N-O 2.83Å; H237-I251 PolarHBondContact O-N 3.44Å; H237-I742 HydrophobicContact CB-CD1 4.26Å; H237-I742 VanDerWaalsContact CE1-CG2 3.47Å; H237-I742 WeakPolarHBondContact CE1-CG2 3.47Å; H237-I742 WeakPolarHBondContact NE2-CG2 3.37Å
238	I	93	Very high	91.3	Very high	48 Å²	48	35.5 Å²	35.5	25%	0.246	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.3	173.2	-59.6	172.4	0	0	0	106.4	A48 G213 E214 T236 A249 K250	A48-I238 HydrophobicContact CB-CG2 4.18Å; G213-I238 CarbonylContact C-O 3.6Å; G213-I238 WeakPolarHBondContact CA-O 3.26Å; E214-I238 PolarHBondContact N-O 2.81Å; E214-I238 PolarHBondContact O-N 2.84Å; T236-I238 HydrophobicContact CG2-CD1 4.44Å; T236-I238 HydrophobicContact CG2-CG1 4.15Å; I238-A249 CarbonylContact C-O 3.48Å; I238-A249 WeakPolarHBondContact CA-O 3.37Å; I238-K250 HydrophobicContact CD1-CD 4.45Å; I238-K250 HydrophobicContact CG1-CB 4.32Å; I238-K250 HydrophobicContact CG1-CD 4.23Å; I238-K250 HydrophobicContact CG1-CG 3.96Å
239	L	92.5	Very high	91.5	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.4	178.6	-62.1	171.7	0	0	0	108.5	V211 S212 A248 A249 I742 A752 F754	V211-L239 HydrophobicContact CG1-CB 4.14Å; S212-L239 WeakPolarHBondContact O-CA 3.23Å; L239-A248 CarbonylContact O-C 3.56Å; L239-A248 WeakPolarHBondContact O-CA 3.49Å; L239-A248 WeakPolarHBondContact O-CB 3.42Å; L239-A249 PolarHBondContact N-O 2.86Å; L239-A249 PolarHBondContact O-N 2.92Å; L239-I742 HydrophobicContact CD1-CD1 4.38Å; L239-A752 HydrophobicContact CD1-CB 3.21Å; L239-F754 HydrophobicContact CB-CE2 3.71Å; L239-F754 HydrophobicContact CB-CZ 3.84Å; L239-F754 HydrophobicContact CD1-CE2 3.99Å
240	A	91.4	Very high	91.6	Very high	12 Å²	12	34.1 Å²	34.1	10%	0.099	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.9	-176.8	0	0	0	0	0	111.6	V211 S212 N242 A248	V211-A240 WeakPolarHBondContact CA-O 3.46Å; V211-A240 WeakPolarHBondContact CG1-O 3.4Å; S212-A240 PolarHBondContact N-O 3.32Å; S212-A240 PolarHBondContact O-N 3.26Å; A240-N242 PolarHBondContact O-N 2.84Å; A240-A248 HydrophobicContact CB-CB 3.69Å
241	V	90.6	Very high	91.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.8	172.1	-179.5	0	0	0	0	108.9	V211 A243 R244 R245 T247 F754 V787	V211-V241 HydrophobicContact CG2-CG2 4.47Å; V241-A243 HydrophobicContact CG1-CB 4.44Å; V241-A243 PolarHBondContact O-N 2.82Å; V241-R244 CarbonylContact O-C 3.48Å; V241-R244 PolarHBondContact O-N 3.37Å; V241-R244 VanDerWaalsContact O-N 3.1Å; V241-R244 VanDerWaalsContact O-O 3.11Å; V241-R245 PolarHBondContact O-N 2.76Å; V241-T247 HydrophobicContact CG2-CG2 4.04Å; V241-T247 PolarHBondContact N-O 2.95Å; V241-F754 HydrophobicContact CG2-CD1 3.8Å; V241-F754 HydrophobicContact CG2-CE1 4.32Å; V241-V787 HydrophobicContact CG2-CG1 4.13Å
242	N	90.1	Very high	91.5	Very high	14 Å²	14	34.1 Å²	34.1	8%	0.075	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-44	-174.1	-71.6	-19.7	0	0	0	112.5	Q207 G210 S212 A240 R244 S655	Q207-N242 WeakPolarHBondContact O-CB 3.44Å; Q207-N242 PolarHBondContact O-ND2 2.84Å; G210-N242 WeakPolarHBondContact O-CB 3.41Å; G210-N242 PolarHBondContact O-N 2.91Å; S212-N242 WeakPolarHBondContact CB-OD1 3.34Å; S212-N242 PolarHBondContact N-OD1 3.29Å; S212-N242 PolarHBondContact OG-OD1 2.85Å; A240-N242 PolarHBondContact O-N 2.84Å; N242-R244 PolarHBondContact O-N 3.07Å; N242-R244 VanDerWaalsContact O-N 3.17Å; N242-S655 PolarHBondContact O-OG 3.39Å; N242-S655 VanDerWaalsContact O-OG 3.11Å
243	A	84.5	Confident	91.5	Very high	38 Å²	38	29.8 Å²	29.8	31%	0.314	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.3	176.2	0	0	0	0	0	114.4	V208 V241	V208-A243 PolarHBondContact O-N 3.28Å; V241-A243 HydrophobicContact CG1-CB 4.44Å; V241-A243 PolarHBondContact O-N 2.82Å
244	R	87.4	Confident	91.4	Very high	78 Å²	78	33.6 Å²	33.6	29%	0.294	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	92.5	179.3	-168.8	173.9	-172	110.7	2.7	111	V241 N242 T246 T247 F806 F838 E840	V241-R244 CarbonylContact O-C 3.48Å; V241-R244 PolarHBondContact O-N 3.37Å; V241-R244 VanDerWaalsContact O-N 3.1Å; V241-R244 VanDerWaalsContact O-O 3.11Å; N242-R244 PolarHBondContact O-N 3.07Å; N242-R244 VanDerWaalsContact O-N 3.17Å; R244-T246 WeakPolarHBondContact CG-OG1 3.38Å; R244-T246 PolarHBondContact NE-OG1 3.01Å; R244-T246 PolarHBondContact O-N 2.96Å; R244-T247 WeakPolarHBondContact O-CB 3.4Å; R244-T247 PolarHBondContact O-N 2.71Å; R244-F806 HydrophobicContact CB-CE1 4.32Å; R244-F806 HydrophobicContact CB-CZ 4.45Å; R244-F838 VanDerWaalsContact NH2-CE1 3.27Å; R244-E840 IonicContact CZ-OE1 3.07Å; R244-E840 VanDerWaalsContact CZ-OE1 3.24Å; R244-E840 IonicContact NE-OE1 2.87Å; R244-E840 PolarHBondContact NE-OE1 2.79Å; R244-E840 IonicContact NH2-OE1 3.43Å; R244-E840 PolarHBondContact NH2-OE1 2.94Å
245	R	84.9	Confident	91.4	Very high	122 Å²	122	28.9 Å²	28.9	46%	0.46	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-14.3	-173.2	-63.7	-177.2	177.3	-160.1	0.3	113.4	V241 T247 A248 D627 N656	V241-R245 PolarHBondContact O-N 2.76Å; R245-T247 PolarHBondContact O-N 2.9Å; R245-A248 WeakPolarHBondContact O-CB 3.31Å; R245-D627 WeakPolarHBondContact CD-OD1 3.44Å; R245-D627 HydrophobicContact CG-CB 4.42Å; R245-D627 WeakPolarHBondContact CG-OD1 3.44Å; R245-D627 PolarHBondContact N-OD2 3.33Å; R245-N656 PolarHBondContact NH2-OD1 2.9Å
246	T	83.9	Confident	91.5	Very high	89 Å²	89	30.3 Å²	30.3	55%	0.546	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-26.2	170.7	60.4	0	0	0	0	112.2	R244 A248	R244-T246 WeakPolarHBondContact CG-OG1 3.38Å; R244-T246 PolarHBondContact NE-OG1 3.01Å; R244-T246 PolarHBondContact O-N 2.96Å; T246-A248 VanDerWaalsContact C-N 3.26Å; T246-A248 PolarHBondContact O-N 3.11Å
247	T	87.3	Confident	91.6	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	76.3	170.1	-51	0	0	0	0	109	V241 R244 R245 V804 F806	V241-T247 HydrophobicContact CG2-CG2 4.04Å; V241-T247 PolarHBondContact N-O 2.95Å; R244-T247 WeakPolarHBondContact O-CB 3.4Å; R244-T247 PolarHBondContact O-N 2.71Å; R245-T247 PolarHBondContact O-N 2.9Å; T247-V804 HydrophobicContact CG2-CB 4.37Å; T247-V804 HydrophobicContact CG2-CG2 3.81Å; T247-F806 HydrophobicContact CG2-CD1 4.03Å; T247-F806 HydrophobicContact CG2-CE1 4.25Å; T247-F806 WeakPolarHBondContact OG1-CD1 3.36Å; T247-F806 WeakPolarHBondContact OG1-CE1 3.3Å
248	A	89.4	Confident	91.7	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.4	-176.8	0	0	0	0	0	112.7	A48 L239 A240 R245 T246	A48-A248 HydrophobicContact CB-CB 3.84Å; L239-A248 CarbonylContact O-C 3.56Å; L239-A248 WeakPolarHBondContact O-CA 3.49Å; L239-A248 WeakPolarHBondContact O-CB 3.42Å; A240-A248 HydrophobicContact CB-CB 3.69Å; R245-A248 WeakPolarHBondContact O-CB 3.31Å; T246-A248 VanDerWaalsContact C-N 3.26Å; T246-A248 PolarHBondContact O-N 3.11Å
249	A	91.9	Very high	91.8	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.9	175.5	0	0	0	0	0	110.9	I238 L239 F754 V791 M802	I238-A249 CarbonylContact C-O 3.48Å; I238-A249 WeakPolarHBondContact CA-O 3.37Å; L239-A249 PolarHBondContact N-O 2.86Å; L239-A249 PolarHBondContact O-N 2.92Å; A249-F754 HydrophobicContact CB-CZ 4.12Å; A249-V791 HydrophobicContact CB-CB 4.16Å; A249-V791 HydrophobicContact CB-CG2 3.38Å; A249-M802 HydrophobicContact CB-CE 3.46Å; A249-M802 VanDerWaalsContact CB-CE 3.46Å
250	K	92.8	Very high	91.9	Very high	59 Å²	59	36.2 Å²	36.2	26%	0.257	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.4	-179.8	178.9	175.7	-176.2	175.8	0	109.7	V45 D46 T236 H237 I238 V252	V45-K250 WeakPolarHBondContact CA-O 3.3Å; D46-K250 PolarHBondContact N-O 2.83Å; D46-K250 WeakPolarHBondContact O-CA 3.39Å; D46-K250 WeakPolarHBondContact O-CB 3.41Å; D46-K250 PolarHBondContact O-N 2.97Å; T236-K250 HydrophobicContact CG2-CG 4.35Å; H237-K250 CarbonylContact O-C 3.58Å; H237-K250 VanDerWaalsContact O-CA 3.26Å; H237-K250 WeakPolarHBondContact O-CA 3.44Å; I238-K250 HydrophobicContact CD1-CD 4.45Å; I238-K250 HydrophobicContact CG1-CB 4.32Å; I238-K250 HydrophobicContact CG1-CD 4.23Å; I238-K250 HydrophobicContact CG1-CG 3.96Å; K250-V252 HydrophobicContact CD-CG2 4.27Å; K250-V252 HydrophobicContact CG-CG2 4.01Å
251	I	93.9	Very high	91.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.7	172.1	-50.3	173.1	0	0	0	106.9	V43 L44 T236 H237 I742 L744 A750 V791 V793	V43-I251 HydrophobicContact CG2-CG2 4.14Å; L44-I251 CarbonylContact O-C 3.57Å; L44-I251 WeakPolarHBondContact O-CA 3.12Å; T236-I251 CarbonylContact C-O 3.51Å; T236-I251 VanDerWaalsContact CA-O 3.28Å; T236-I251 WeakPolarHBondContact CA-O 3.37Å; H237-I251 HydrophobicContact CB-CB 4.3Å; H237-I251 PolarHBondContact N-O 2.83Å; H237-I251 PolarHBondContact O-N 3.44Å; I251-I742 HydrophobicContact CD1-CD1 4.15Å; I251-L744 HydrophobicContact CG2-CD1 4.33Å; I251-L744 HydrophobicContact CG2-CD2 4.3Å; I251-A750 HydrophobicContact CD1-CB 3.88Å; I251-V791 HydrophobicContact CD1-CG1 3.44Å; I251-V791 VanDerWaalsContact CD1-CG1 3.44Å; I251-V791 HydrophobicContact CG1-CG1 3.52Å; I251-V793 HydrophobicContact CG2-CG2 4.25Å
252	V	94.4	Very high	92	Very high	16 Å²	16	41.1 Å²	41.1	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117	171.2	-178	0	0	0	0	108	V43 L44 E235 T236 K250 R254	V43-V252 CarbonylContact C-O 3.58Å; V43-V252 WeakPolarHBondContact CA-O 3.28Å; L44-V252 HydrophobicContact CB-CB 4.27Å; L44-V252 PolarHBondContact N-O 2.65Å; L44-V252 PolarHBondContact O-N 3.47Å; E235-V252 WeakPolarHBondContact O-CA 3.4Å; T236-V252 HydrophobicContact CG2-CG2 4.21Å; K250-V252 HydrophobicContact CD-CG2 4.27Å; K250-V252 HydrophobicContact CG-CG2 4.01Å; V252-R254 HydrophobicContact CG1-CG 4.14Å
253	S	95.1	Very high	92.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.6	171.2	-180	0	0	0	0	108.4	E42 E235 S746	E42-S253 WeakPolarHBondContact O-CA 3.28Å; E235-S253 PolarHBondContact N-O 2.99Å; E235-S253 PolarHBondContact O-N 3.25Å; S253-S746 PolarHBondContact OG-OG 3.39Å
254	R	95.8	Very high	92.4	Very high	80 Å²	80	46.8 Å²	46.8	30%	0.302	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135	176.4	-68.5	173.2	177.3	-147	-4	109.5	T41 E42 A233 K234 V252	T41-R254 CarbonylContact C-O 3.58Å; T41-R254 VanDerWaalsContact CA-O 3.26Å; T41-R254 WeakPolarHBondContact CA-O 3.5Å; E42-R254 HydrophobicContact CG-CB 3.81Å; E42-R254 PolarHBondContact N-O 2.9Å; E42-R254 PolarHBondContact O-N 3.22Å; E42-R254 WeakPolarHBondContact OE1-CD 3.39Å; A233-R254 CarbonylContact O-C 3.58Å; A233-R254 VanDerWaalsContact O-CA 3.25Å; A233-R254 WeakPolarHBondContact O-CA 3.32Å; K234-R254 HydrophobicContact CG-CG 4.29Å; V252-R254 HydrophobicContact CG1-CG 4.14Å
255	Q	96.7	Very high	92.4	Very high	4 Å²	4	44 Å²	44	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143	170.1	-58.8	169.2	-85.4	0	0	109.2	Y39 T40 G152 L156 I232 A233 Q745	Y39-Q255 HydrophobicContact CE2-CB 4.17Å; Y39-Q255 HydrophobicContact CE2-CG 4.43Å; Y39-Q255 PolarHBondContact OH-NE2 3.48Å; T40-Q255 CarbonylContact O-C 3.56Å; T40-Q255 VanDerWaalsContact O-CA 3.27Å; T40-Q255 WeakPolarHBondContact O-CA 3.4Å; G152-Q255 PolarHBondContact O-NE2 2.98Å; L156-Q255 HydrophobicContact CD1-CB 4.03Å; I232-Q255 CarbonylContact C-O 3.51Å; I232-Q255 WeakPolarHBondContact CA-O 3.13Å; A233-Q255 HydrophobicContact CB-CB 4.1Å; A233-Q255 PolarHBondContact N-O 3.48Å; A233-Q255 PolarHBondContact O-N 3.43Å; Q255-Q745 PolarHBondContact OE1-O 2.88Å
256	S	96.9	Very high	92.5	Very high	32 Å²	32	41.5 Å²	41.5	22%	0.224	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.4	170.8	-178.1	0	0	0	0	108.5	Y39 T40 A231	Y39-S256 CarbonylContact C-O 3.45Å; Y39-S256 WeakPolarHBondContact CA-O 3.42Å; T40-S256 PolarHBondContact N-O 3.37Å; T40-S256 PolarHBondContact O-N 3.09Å; T40-S256 WeakPolarHBondContact OG1-CB 3.18Å; A231-S256 WeakPolarHBondContact O-CA 3.5Å
257	L	96.4	Very high	92.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.2	172.3	-175	72.3	0	0	0	107.4	F37 S38 Y39 L156 L157 S230 A231	F37-L257 HydrophobicContact CB-CD1 3.58Å; F37-L257 HydrophobicContact CB-CG 4.17Å; F37-L257 HydrophobicContact CD1-CD1 4.12Å; F37-L257 HydrophobicContact CD1-CD2 4.22Å; F37-L257 HydrophobicContact CD1-CG 3.74Å; F37-L257 HydrophobicContact CE1-CD2 4.45Å; F37-L257 HydrophobicContact CE1-CG 4.37Å; F37-L257 HydrophobicContact CG-CD1 3.99Å; F37-L257 HydrophobicContact CG-CG 4.12Å; S38-L257 WeakPolarHBondContact O-CA 3.25Å; Y39-L257 HydrophobicContact CD2-CB 4.35Å; Y39-L257 HydrophobicContact CD2-CD1 4Å; Y39-L257 HydrophobicContact CG-CD1 4.37Å; L156-L257 HydrophobicContact CB-CD2 4.44Å; L156-L257 HydrophobicContact CD1-CB 4.23Å; L157-L257 HydrophobicContact CD2-CD2 4.01Å; S230-L257 CarbonylContact C-O 3.46Å; S230-L257 WeakPolarHBondContact CA-O 3.33Å; A231-L257 HydrophobicContact CB-CB 4.26Å; A231-L257 PolarHBondContact N-O 3.25Å; A231-L257 PolarHBondContact O-N 3.29Å
258	T	96.6	Very high	92.4	Very high	50 Å²	50	48.5 Å²	48.5	31%	0.307	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.1	-175.8	52	0	0	0	0	110.8	F37 S38 V260	F37-T258 CarbonylContact C-O 3.58Å; F37-T258 VanDerWaalsContact CA-O 3.28Å; F37-T258 WeakPolarHBondContact CA-O 3.05Å; S38-T258 PolarHBondContact N-O 2.87Å; S38-T258 PolarHBondContact O-N 2.9Å; S38-T258 PolarHBondContact O-OG1 3.34Å; T258-V260 PolarHBondContact O-N 2.95Å
259	L	94.6	Very high	92.1	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.236	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.6	177.3	-175.2	66	0	0	0	109.9	Y35 F37 K229 I262	Y35-L259 HydrophobicContact CD1-CD1 3.98Å; Y35-L259 HydrophobicContact CG-CD1 4.5Å; F37-L259 HydrophobicContact CD1-CB 4.03Å; F37-L259 HydrophobicContact CD1-CD1 4.28Å; F37-L259 HydrophobicContact CD2-CD1 4.4Å; F37-L259 HydrophobicContact CE1-CB 3.79Å; F37-L259 HydrophobicContact CE1-CD1 3.98Å; F37-L259 HydrophobicContact CE1-CG 4.47Å; F37-L259 HydrophobicContact CE2-CD1 4.12Å; F37-L259 HydrophobicContact CG-CD1 4.49Å; F37-L259 HydrophobicContact CZ-CD1 3.91Å; K229-L259 PolarHBondContact O-N 3.36Å; L259-I262 HydrophobicContact CD1-CG1 4.4Å; L259-I262 HydrophobicContact CD2-CD1 4.18Å; L259-I262 HydrophobicContact CD2-CG1 4.19Å
260	V	94.7	Very high	91.4	Very high	102 Å²	102	54.3 Å²	54.3	62%	0.618	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	-46.1	-177.7	-178.5	0	0	0	0	110.9	K36 T258	K36-V260 PolarHBondContact O-N 3.08Å; T258-V260 PolarHBondContact O-N 2.95Å
261	A	92.9	Very high	90.7	Very high	35 Å²	35	52.8 Å²	52.8	29%	0.289	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.1	-177.4	0	0	0	0	0	111.7	K36	K36-A261 HydrophobicContact CB-CB 4.45Å; K36-A261 PolarHBondContact N-O 3.24Å; K36-A261 PolarHBondContact O-N 2.94Å
262	I	91.9	Very high	90.1	Very high	83 Å²	83	61.9 Å²	61.9	43%	0.426	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.7	171.3	-55.7	175.6	0	0	0	107.8	R33 L34 Y35 L259	R33-I262 HydrophobicContact CB-CG2 4.12Å; R33-I262 HydrophobicContact CG-CG2 4.21Å; L34-I262 WeakPolarHBondContact O-CA 3.32Å; Y35-I262 HydrophobicContact CD1-CD1 4.19Å; Y35-I262 HydrophobicContact CD1-CG1 3.98Å; Y35-I262 HydrophobicContact CE1-CD1 3.92Å; Y35-I262 HydrophobicContact CE1-CG1 4.17Å; Y35-I262 HydrophobicContact CE1-CG2 4.47Å; L259-I262 HydrophobicContact CD1-CG1 4.4Å; L259-I262 HydrophobicContact CD2-CD1 4.18Å; L259-I262 HydrophobicContact CD2-CG1 4.19Å
263	E	93.1	Very high	89.5	Confident	81 Å²	81	65.2 Å²	65.2	38%	0.379	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	173.3	-178.5	-68.7	174.6	-164.6	0	0	111	R33 L34 K36 G265	R33-E263 WeakPolarHBondContact CA-O 3.46Å; L34-E263 HydrophobicContact CB-CB 4.37Å; L34-E263 PolarHBondContact N-O 3.1Å; L34-E263 PolarHBondContact O-N 3.38Å; K36-E263 VanDerWaalsContact CE-CD 3.47Å; K36-E263 WeakPolarHBondContact CE-OE1 3.46Å; K36-E263 WeakPolarHBondContact CE-OE2 3.11Å; K36-E263 IonicContact NZ-OE1 3.69Å; K36-E263 PolarHBondContact NZ-OE1 3.16Å; K36-E263 IonicContact NZ-OE2 2.75Å; K36-E263 PolarHBondContact NZ-OE2 3.36Å; E263-G265 PolarHBondContact O-N 3.26Å
264	A	89.6	Confident	89.1	Confident	90 Å²	90	65.8 Å²	65.8	74%	0.744	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	126.4	169.6	0	0	0	0	0	109.4
265	G	87.5	Confident	88.5	Confident	19 Å²	19	64.6 Å²	64.6	20%	0.196	39%	0.388	C	S	.	.			trans	-105.6	176.3	-177.2	0	0	0	0	0	113.3	D32 E263	D32-G265 PolarHBondContact O-N 2.76Å; E263-G265 PolarHBondContact O-N 3.26Å
266	P	87	Confident	87.9	Confident	70 Å²	70	66.9 Å²	66.9	46%	0.455	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-69.1	154.6	176.6	30.4	-35.4	0	0	0	111.9	N67	N67-P266 HydrophobicContact CB-CG 4.31Å; N67-P266 VanDerWaalsContact ND2-CG 3.28Å; N67-P266 WeakPolarHBondContact ND2-CG 3.39Å
267	F	84.9	Confident	87.4	Confident	180 Å²	180	65.3 Å²	65.3	79%	0.789	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-69.1	150.9	175.8	-65.7	-70.4	0	0	0	112.3	D32	D32-F267 WeakPolarHBondContact OD1-CD1 3.35Å
268	E	84.4	Confident	86.9	Confident	62 Å²	62	65.4 Å²	65.4	29%	0.29	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64.1	139.8	176.1	-64.9	-177.7	-130.3	0	0	112.2	N31 L68 V69	N31-E268 PolarHBondContact ND2-OE1 2.77Å; N31-E268 PolarHBondContact OD1-OE1 2.84Å; L68-E268 HydrophobicContact CD2-CG 4.15Å; L68-E268 HydrophobicContact CG-CG 4.41Å; V69-E268 WeakPolarHBondContact O-CA 3.47Å
269	A	82.5	Confident	86.4	Confident	26 Å²	26	69.9 Å²	69.9	22%	0.215	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-75.8	136.1	172.9	0	0	0	0	0	110.6	V69 V277	V69-A269 PolarHBondContact O-N 3.42Å; A269-V277 HydrophobicContact CB-CG1 3.85Å
270	A	77.5	Confident	86	Confident	101 Å²	101	72 Å²	72	84%	0.835	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-78.6	131	175.7	0	0	0	0	0	111.2
271	G	79.3	Confident	85.5	Confident	27 Å²	27	70.9 Å²	70.9	28%	0.278	42%	0.418	S	S	.	.			trans	-180	154	174.4	0	0	0	0	0	113.7	W70	W70-G271 PolarHBondContact NE1-O 3.32Å
272	K	79.6	Confident	85.1	Confident	194 Å²	194	71.4 Å²	71.4	84%	0.843	42%	0.415	S	S	*	.	S	Bend	trans	-85.8	-25.6	179	-69.9	-173.9	179.1	-179.2	0	113.5
273	N	83.4	Confident	84.8	Confident	85 Å²	85	75.7 Å²	75.7	46%	0.455	43%	0.434	S	S	.	.	S	Bend	trans	-139.2	149.8	-179.7	70.5	47.5	0	0	0	111.7	A275 S276 V277	N273-A275 VanDerWaalsContact C-N 3.3Å; N273-A275 PolarHBondContact O-N 3.44Å; N273-A275 PolarHBondContact OD1-N 3.04Å; N273-S276 PolarHBondContact O-N 3.13Å; N273-S276 PolarHBondContact O-OG 2.63Å; N273-S276 WeakPolarHBondContact OD1-CA 3.4Å; N273-S276 WeakPolarHBondContact OD1-CB 3.41Å; N273-S276 PolarHBondContact OD1-N 2.95Å; N273-S276 PolarHBondContact OD1-OG 3.28Å; N273-V277 WeakPolarHBondContact O-CG2 3.13Å; N273-V277 PolarHBondContact O-N 3.5Å
274	V	84.9	Confident	84.5	Confident	14 Å²	14	79.3 Å²	79.3	9%	0.085	45%	0.448	C	S	.	.	H	α-helix	trans	-58.5	-41.6	-177.7	178.2	0	0	0	0	111.7	W70 L80 H127 Y137 S276 V277 V278	W70-V274 HydrophobicContact CD2-CG2 4.49Å; W70-V274 HydrophobicContact CE3-CG2 3.65Å; W70-V274 HydrophobicContact CH2-CG2 3.58Å; W70-V274 HydrophobicContact CZ2-CG2 4.43Å; W70-V274 HydrophobicContact CZ3-CB 4.48Å; W70-V274 HydrophobicContact CZ3-CG2 3.15Å; L80-V274 HydrophobicContact CD1-CG1 3.97Å; L80-V274 HydrophobicContact CD2-CG1 4.26Å; H127-V274 HydrophobicContact CB-CG1 4.39Å; Y137-V274 HydrophobicContact CE2-CG1 4.18Å; V274-S276 PolarHBondContact O-N 3.26Å; V274-V277 PolarHBondContact O-N 3.04Å; V274-V278 HydrophobicContact CG1-CG2 4.15Å; V274-V278 WeakPolarHBondContact O-CG2 3.29Å; V274-V278 PolarHBondContact O-N 2.72Å
275	A	83.9	Confident	84.3	Confident	56 Å²	56	75.7 Å²	75.7	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-65.3	-37.5	-175.5	0	0	0	0	0	112.9	N273 K279	N273-A275 VanDerWaalsContact C-N 3.3Å; N273-A275 PolarHBondContact O-N 3.44Å; N273-A275 PolarHBondContact OD1-N 3.04Å; A275-K279 WeakPolarHBondContact O-CB 3.45Å; A275-K279 WeakPolarHBondContact O-CG 3.27Å; A275-K279 PolarHBondContact O-N 2.88Å; A275-K279 VanDerWaalsContact O-N 3.13Å
276	S	83.7	Confident	84.2	Confident	51 Å²	51	77.6 Å²	77.6	36%	0.357	42%	0.419	S	S	.	.	H	α-helix	trans	-69.9	-39.2	175.2	66	0	0	0	0	111	N273 V274 K279 S280	N273-S276 PolarHBondContact O-N 3.13Å; N273-S276 PolarHBondContact O-OG 2.63Å; N273-S276 WeakPolarHBondContact OD1-CA 3.4Å; N273-S276 WeakPolarHBondContact OD1-CB 3.41Å; N273-S276 PolarHBondContact OD1-N 2.95Å; N273-S276 PolarHBondContact OD1-OG 3.28Å; V274-S276 PolarHBondContact O-N 3.26Å; S276-K279 PolarHBondContact O-N 2.89Å; S276-S280 WeakPolarHBondContact O-CB 3.48Å; S276-S280 PolarHBondContact O-N 3.1Å; S276-S280 PolarHBondContact O-OG 2.79Å
277	V	86.7	Confident	84.2	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-63.7	-49.1	177.8	174.5	0	0	0	0	110.5	V69 W70 L80 A269 N273 V274 K279 S280 L281	V69-V277 HydrophobicContact CG1-CG1 4.37Å; W70-V277 HydrophobicContact CB-CG1 4Å; W70-V277 HydrophobicContact CG-CG1 4.35Å; W70-V277 HydrophobicContact CG-CG2 4.04Å; L80-V277 HydrophobicContact CD2-CG1 4.18Å; A269-V277 HydrophobicContact CB-CG1 3.85Å; N273-V277 WeakPolarHBondContact O-CG2 3.13Å; N273-V277 PolarHBondContact O-N 3.5Å; V274-V277 PolarHBondContact O-N 3.04Å; V277-K279 VanDerWaalsContact C-N 3.34Å; V277-K279 PolarHBondContact O-N 2.98Å; V277-S280 WeakPolarHBondContact CA-OG 3.26Å; V277-S280 PolarHBondContact O-N 2.87Å; V277-S280 VanDerWaalsContact O-N 3.15Å; V277-S280 PolarHBondContact O-OG 3.15Å; V277-L281 HydrophobicContact CG1-CD1 3.89Å; V277-L281 WeakPolarHBondContact O-CG 3.45Å; V277-L281 PolarHBondContact O-N 2.89Å
278	V	86.6	Confident	84.2	Confident	2 Å²	2	70 Å²	70	1%	0.012	39%	0.392	C	S	.	.	H	α-helix	trans	-58	-46	177.1	174.2	0	0	0	0	111.1	L80 M125 Y137 V274 S280 L281 D282 L285	L80-V278 HydrophobicContact CD1-CG2 4.3Å; L80-V278 HydrophobicContact CD2-CG2 3.71Å; M125-V278 HydrophobicContact SD-CG2 4.12Å; Y137-V278 HydrophobicContact CD1-CB 4.4Å; Y137-V278 HydrophobicContact CD1-CG1 3.75Å; Y137-V278 HydrophobicContact CD1-CG2 4.13Å; Y137-V278 HydrophobicContact CD2-CG2 4.27Å; Y137-V278 HydrophobicContact CE1-CB 4.42Å; Y137-V278 HydrophobicContact CE1-CG1 4.21Å; Y137-V278 HydrophobicContact CE1-CG2 4.07Å; Y137-V278 HydrophobicContact CE2-CG2 4.24Å; Y137-V278 HydrophobicContact CG-CG1 4.18Å; Y137-V278 HydrophobicContact CG-CG2 4.22Å; V274-V278 HydrophobicContact CG1-CG2 4.15Å; V274-V278 WeakPolarHBondContact O-CG2 3.29Å; V274-V278 PolarHBondContact O-N 2.72Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.24Å; V278-L281 PolarHBondContact O-N 2.82Å; V278-D282 PolarHBondContact O-N 3.37Å; V278-L285 HydrophobicContact CG1-CB 3.7Å; V278-L285 HydrophobicContact CG1-CD1 4.17Å
279	K	85.3	Confident	84.1	Confident	145 Å²	145	69.3 Å²	69.3	63%	0.63	40%	0.403	S	S	*	.	H	α-helix	trans	-63.1	-38.1	176.9	-78.1	-175.4	177	-173.1	0	113.1	A275 S276 V277 L281 D282 E283	A275-K279 WeakPolarHBondContact O-CB 3.45Å; A275-K279 WeakPolarHBondContact O-CG 3.27Å; A275-K279 PolarHBondContact O-N 2.88Å; A275-K279 VanDerWaalsContact O-N 3.13Å; S276-K279 PolarHBondContact O-N 2.89Å; V277-K279 VanDerWaalsContact C-N 3.34Å; V277-K279 PolarHBondContact O-N 2.98Å; K279-L281 VanDerWaalsContact C-N 3.27Å; K279-L281 PolarHBondContact O-N 3.19Å; K279-D282 CarbonylContact O-C 3.53Å; K279-E283 PolarHBondContact O-N 2.82Å
280	S	85.9	Confident	84.2	Confident	88 Å²	88	68.8 Å²	68.8	62%	0.615	40%	0.397	S	S	*	.	H	α-helix	trans	-69.3	-25.8	178.8	68	0	0	0	0	113.3	S276 V277 V278	S276-S280 WeakPolarHBondContact O-CB 3.48Å; S276-S280 PolarHBondContact O-N 3.1Å; S276-S280 PolarHBondContact O-OG 2.79Å; V277-S280 WeakPolarHBondContact CA-OG 3.26Å; V277-S280 PolarHBondContact O-N 2.87Å; V277-S280 VanDerWaalsContact O-N 3.15Å; V277-S280 PolarHBondContact O-OG 3.15Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.24Å
281	L	85.1	Confident	84.6	Confident	80 Å²	80	66.2 Å²	66.2	42%	0.419	38%	0.375	S	S	.	.	H	α-helix	trans	-82.1	-46.2	177	-69.2	165.3	0	0	0	111.4	V69 M125 V277 V278 K279	V69-L281 HydrophobicContact CG1-CD1 3.29Å; M125-L281 HydrophobicContact CE-CB 4.05Å; M125-L281 HydrophobicContact CE-CD1 3.58Å; M125-L281 HydrophobicContact CE-CG 4.42Å; M125-L281 HydrophobicContact SD-CD1 4.17Å; V277-L281 HydrophobicContact CG1-CD1 3.89Å; V277-L281 WeakPolarHBondContact O-CG 3.45Å; V277-L281 PolarHBondContact O-N 2.89Å; V278-L281 PolarHBondContact O-N 2.82Å; K279-L281 VanDerWaalsContact C-N 3.27Å; K279-L281 PolarHBondContact O-N 3.19Å
282	D	84.4	Confident	84.9	Confident	45 Å²	45	66.2 Å²	66.2	24%	0.241	37%	0.373	C	S	.	.			trans	-159	116	173.1	-168.9	-24.6	0	0	0	110.7	Y139 V278 K279 K284 L285	Y139-D282 WeakPolarHBondContact CE1-OD2 3.38Å; Y139-D282 VanDerWaalsContact CZ-OD2 3.32Å; Y139-D282 PolarHBondContact OH-OD2 3.18Å; V278-D282 PolarHBondContact O-N 3.37Å; K279-D282 CarbonylContact O-C 3.53Å; D282-K284 PolarHBondContact O-N 3.19Å; D282-K284 VanDerWaalsContact O-N 3.11Å; D282-K284 VanDerWaalsContact OD1-CB 3.26Å; D282-K284 WeakPolarHBondContact OD1-CB 3.5Å; D282-K284 PolarHBondContact OD1-N 2.81Å; D282-L285 HydrophobicContact CB-CD1 3.96Å; D282-L285 HydrophobicContact CB-CG 4.07Å; D282-L285 WeakPolarHBondContact O-CB 3.47Å; D282-L285 PolarHBondContact O-N 3.09Å; D282-L285 VanDerWaalsContact O-N 3.13Å
283	E	84.4	Confident	85.1	Confident	173 Å²	173	59.8 Å²	59.8	81%	0.808	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.1	179.3	-63.4	-172.7	158	0	0	113.7	K279 L285	K279-E283 PolarHBondContact O-N 2.82Å; E283-L285 VanDerWaalsContact C-N 3.32Å
284	K	86.8	Confident	84.9	Confident	158 Å²	158	61.7 Å²	61.7	69%	0.687	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.7	179.5	-60	171.1	-177.4	166.8	0	113	Y139 D282	Y139-K284 HydrophobicContact CD1-CB 3.83Å; Y139-K284 HydrophobicContact CE1-CB 3.89Å; D282-K284 PolarHBondContact O-N 3.19Å; D282-K284 VanDerWaalsContact O-N 3.11Å; D282-K284 VanDerWaalsContact OD1-CB 3.26Å; D282-K284 WeakPolarHBondContact OD1-CB 3.5Å; D282-K284 PolarHBondContact OD1-N 2.81Å
285	L	86.2	Confident	84.4	Confident	14 Å²	14	62.3 Å²	62.3	7%	0.073	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.7	173.7	-72.1	171.2	0	0	0	110.3	M125 C138 Y139 V278 D282 E283	M125-L285 HydrophobicContact CE-CD1 3.75Å; M125-L285 HydrophobicContact SD-CD1 3.97Å; C138-L285 WeakPolarHBondContact O-CA 3.47Å; Y139-L285 HydrophobicContact CD1-CD2 4.35Å; Y139-L285 HydrophobicContact CD2-CD2 4.06Å; Y139-L285 HydrophobicContact CE1-CD2 4.11Å; Y139-L285 HydrophobicContact CE1-CG 4.23Å; Y139-L285 HydrophobicContact CE2-CD2 3.8Å; Y139-L285 HydrophobicContact CG-CD2 4.33Å; V278-L285 HydrophobicContact CG1-CB 3.7Å; V278-L285 HydrophobicContact CG1-CD1 4.17Å; D282-L285 HydrophobicContact CB-CD1 3.96Å; D282-L285 HydrophobicContact CB-CG 4.07Å; D282-L285 WeakPolarHBondContact O-CB 3.47Å; D282-L285 PolarHBondContact O-N 3.09Å; D282-L285 VanDerWaalsContact O-N 3.13Å; E283-L285 VanDerWaalsContact C-N 3.32Å
286	F	86	Confident	83.5	Confident	59 Å²	59	68.8 Å²	68.8	26%	0.259	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.3	179.3	67.4	-67.6	0	0	0	110.2	Y137 C138 K140 V288	Y137-F286 WeakPolarHBondContact CA-O 3.48Å; C138-F286 VanDerWaalsContact C-CE1 3.5Å; C138-F286 PolarHBondContact N-O 2.9Å; C138-F286 WeakPolarHBondContact O-CD1 2.99Å; C138-F286 WeakPolarHBondContact O-CE1 3.15Å; C138-F286 PolarHBondContact O-N 3.24Å; C138-F286 VanDerWaalsContact O-N 3.1Å; K140-F286 VanDerWaalsContact CA-CZ 3.42Å; K140-F286 HydrophobicContact CB-CD1 3.76Å; K140-F286 HydrophobicContact CB-CE1 3.54Å; K140-F286 HydrophobicContact CB-CE2 4.49Å; K140-F286 HydrophobicContact CB-CZ 3.89Å; K140-F286 HydrophobicContact CG-CE1 4.26Å; K140-F286 HydrophobicContact CG-CE2 4.38Å; K140-F286 HydrophobicContact CG-CZ 4.13Å; F286-V288 HydrophobicContact CD2-CG2 3.79Å; F286-V288 HydrophobicContact CE1-CG2 4.22Å; F286-V288 HydrophobicContact CE2-CB 4.32Å; F286-V288 HydrophobicContact CE2-CG1 4.2Å; F286-V288 HydrophobicContact CE2-CG2 3.28Å; F286-V288 HydrophobicContact CZ-CG2 3.5Å; F286-V288 WeakPolarHBondContact O-CG2 3.32Å
287	A	87.3	Confident	82.3	Confident	61 Å²	61	70.5 Å²	70.5	50%	0.504	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132	176.4	0	0	0	0	0	110.3	F136 Y137	F136-A287 CarbonylContact O-C 3.54Å; F136-A287 WeakPolarHBondContact O-CA 3.45Å; Y137-A287 HydrophobicContact CD1-CB 3.96Å; Y137-A287 HydrophobicContact CE1-CB 3.65Å
288	V	83.8	Confident	80.8	Confident	28 Å²	28	78.6 Å²	78.6	17%	0.17	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155	176.1	-144.6	0	0	0	0	108.7	F136 C138 R151 F286	F136-V288 HydrophobicContact CD1-CB 4.35Å; F136-V288 HydrophobicContact CD1-CG2 4.44Å; F136-V288 PolarHBondContact N-O 3.22Å; F136-V288 PolarHBondContact O-N 3.1Å; F136-V288 VanDerWaalsContact O-O 3.09Å; C138-V288 WeakPolarHBondContact SG-CG2 3.45Å; R151-V288 VanDerWaalsContact NH2-CG1 3.26Å; F286-V288 HydrophobicContact CD2-CG2 3.79Å; F286-V288 HydrophobicContact CE1-CG2 4.22Å; F286-V288 HydrophobicContact CE2-CB 4.32Å; F286-V288 HydrophobicContact CE2-CG1 4.2Å; F286-V288 HydrophobicContact CE2-CG2 3.28Å; F286-V288 HydrophobicContact CZ-CG2 3.5Å; F286-V288 WeakPolarHBondContact O-CG2 3.32Å
289	G	82.9	Confident	79.5	Confident	49 Å²	49	82.2 Å²	82.2	51%	0.505	45%	0.445	S	S	.	.			trans	-63.5	149.5	172.6	0	0	0	0	0	112.2	R151 A291	R151-G289 PolarHBondContact NE-O 2.87Å; R151-G289 PolarHBondContact NH2-O 2.79Å; G289-A291 VanDerWaalsContact C-N 3.29Å
290	V	84.1	Confident	77.9	Confident	15 Å²	15	84.5 Å²	84.5	9%	0.091	46%	0.455	C	S	.	.	S	Bend	trans	-73.6	-22.1	175.3	73.4	0	0	0	0	112.8	V133 R151 N169 V171	V133-V290 HydrophobicContact CB-CG2 4.23Å; V133-V290 HydrophobicContact CG1-CB 4.03Å; V133-V290 HydrophobicContact CG1-CG2 3.77Å; R151-V290 VanDerWaalsContact CD-O 3.31Å; R151-V290 WeakPolarHBondContact CD-O 3.13Å; N169-V290 HydrophobicContact CB-CG1 3.86Å; V171-V290 WeakPolarHBondContact CA-O 3.48Å
291	A	86.8	Confident	76.5	Confident	46 Å²	46	84.2 Å²	84.2	38%	0.38	47%	0.466	S	S	.	.	S	Bend	trans	-67.4	147.2	174.4	0	0	0	0	0	111.4	R151 D170 G289	R151-A291 PolarHBondContact NE-O 3.09Å; R151-A291 VanDerWaalsContact NE-O 3.13Å; D170-A291 WeakPolarHBondContact O-CA 3.32Å; G289-A291 VanDerWaalsContact C-N 3.29Å
292	A	84.1	Confident	75.6	Confident	28 Å²	28	84.5 Å²	84.5	23%	0.231	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-61.9	143.6	-178.9	0	0	0	0	0	113.2	N148 V171 Q743	N148-A292 WeakPolarHBondContact OD1-CA 2.99Å; V171-A292 HydrophobicContact CG2-CB 4.06Å; V171-A292 PolarHBondContact O-N 2.91Å; A292-Q743 HydrophobicContact CB-CG 3.58Å; A292-Q743 VanDerWaalsContact CB-OE1 3.22Å
293	E	84.1	Confident	75.2	Confident	58 Å²	58	88.4 Å²	88.4	27%	0.271	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-84.2	148.6	171	-81.5	166.1	-135.4	0	0	110.9	A144 K147 N148 R151 V295	A144-E293 HydrophobicContact CB-CB 3.9Å; K147-E293 WeakPolarHBondContact CD-OE1 3.39Å; K147-E293 IonicContact NZ-OE2 2.71Å; N148-E293 PolarHBondContact ND2-O 2.82Å; N148-E293 PolarHBondContact OD1-N 2.84Å; R151-E293 IonicContact CZ-OE1 2.74Å; R151-E293 IonicContact NH1-OE1 2.72Å; R151-E293 PolarHBondContact NH1-OE1 2.69Å; R151-E293 VanDerWaalsContact NH1-OE1 3.11Å; R151-E293 IonicContact NH2-OE1 2.9Å; R151-E293 PolarHBondContact NH2-OE1 2.87Å; E293-V295 PolarHBondContact O-N 3.12Å
294	K	80.1	Confident	75.2	Confident	126 Å²	126	82.2 Å²	82.2	55%	0.548	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-65	121.9	175.2	-62.3	-169	178.8	-172.5	0	110.3	A198 E199	A198-K294 WeakPolarHBondContact O-CE 3.44Å; A198-K294 PolarHBondContact O-NZ 3.11Å; E199-K294 HydrophobicContact CG-CD 3.94Å; E199-K294 HydrophobicContact CG-CG 3.92Å; E199-K294 WeakPolarHBondContact OE1-CG 3.27Å
295	V	73.3	Confident	75.4	Confident	26 Å²	26	75.1 Å²	75.1	16%	0.158	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-98.5	117.7	172.8	-174.4	0	0	0	0	108.3	A144 E293 K749	A144-V295 HydrophobicContact CB-CG2 4.04Å; E293-V295 PolarHBondContact O-N 3.12Å; V295-K749 HydrophobicContact CB-CD 4.46Å; V295-K749 PolarHBondContact O-NZ 2.91Å
296	K	65.1	Low	75.5	Confident	192 Å²	192	76.3 Å²	76.3	84%	0.835	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-82.3	121.5	168.5	-69.2	-172.8	178.8	-174.9	0	108.4	Q298	K296-Q298 PolarHBondContact O-N 2.81Å; K296-Q298 VanDerWaalsContact O-N 3.08Å
297	S	59.8	Low	75.7	Confident	87 Å²	87	78.1 Å²	78.1	61%	0.608	45%	0.45	S	S	*	.			trans	-68.5	103.5	169.8	55.3	0	0	0	0	109	C299	S297-C299 PolarHBondContact O-N 3.39Å
298	Q	54.5	Low	75.9	Confident	171 Å²	171	76.7 Å²	76.7	80%	0.799	43%	0.433	S	S	*	.			trans	-77.4	104.2	169.1	-77.9	-179.1	-10.1	0	0	108.5	K296 K300	K296-Q298 PolarHBondContact O-N 2.81Å; K296-Q298 VanDerWaalsContact O-N 3.08Å; Q298-K300 PolarHBondContact O-N 3.37Å
299	C	59.9	Low	76.3	Confident	77 Å²	77	75.5 Å²	75.5	52%	0.52	43%	0.425	S	S	.	.			trans	-78.9	107.3	170.2	-171.7	0	0	0	0	109.5	S297 G301 C302	S297-C299 PolarHBondContact O-N 3.39Å; C299-G301 PolarHBondContact O-N 2.91Å; C299-C302 HydrophobicContact CB-CB 3.72Å; C299-C302 WeakPolarHBondContact CB-SG 3.34Å; C299-C302 VanDerWaalsContact SG-CA 3.59Å; C299-C302 WeakPolarHBondContact SG-CB 3.37Å; C299-C302 CovalentContact SG-SG 2.01Å; C299-C302 PolarHBondContact SG-SG 2.89Å
300	K	51	Low	76.7	Confident	193 Å²	193	78 Å²	78	84%	0.839	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	115.7	170	-70.6	-174.7	176.8	-175.7	0	108.7	Q298	Q298-K300 PolarHBondContact O-N 3.37Å
301	G	56.1	Low	77	Confident	82 Å²	82	80.7 Å²	80.7	85%	0.845	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	22.6	178.4	0	0	0	0	0	115.4	C299	C299-G301 PolarHBondContact O-N 2.91Å
302	C	66.4	Low	77.3	Confident	86 Å²	86	79.1 Å²	79.1	58%	0.581	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-65.1	139.7	167.3	-92.5	0	0	0	0	110.2	C299	C299-C302 HydrophobicContact CB-CB 3.72Å; C299-C302 WeakPolarHBondContact CB-SG 3.34Å; C299-C302 VanDerWaalsContact SG-CA 3.59Å; C299-C302 WeakPolarHBondContact SG-CB 3.37Å; C299-C302 CovalentContact SG-SG 2.01Å; C299-C302 PolarHBondContact SG-SG 2.89Å
303	Q	75.8	Confident	77.6	Confident	128 Å²	128	81.3 Å²	81.3	60%	0.598	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-58.2	141.2	172.3	-72.7	176.3	-23.3	0	0	110.5	E307	Q303-E307 WeakPolarHBondContact CA-OE2 3.45Å; Q303-E307 HydrophobicContact CB-CB 4.13Å
304	S	86.3	Confident	77.9	Confident	42 Å²	42	86.2 Å²	86.2	29%	0.294	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-62.9	158.9	169.6	65.1	0	0	0	0	110.6	F306 E307 H308	S304-F306 PolarHBondContact O-N 2.88Å; S304-E307 PolarHBondContact N-OE2 2.85Å; S304-E307 PolarHBondContact O-N 3.18Å; S304-E307 WeakPolarHBondContact OG-CB 3.46Å; S304-E307 VanDerWaalsContact OG-CG 3.24Å; S304-E307 WeakPolarHBondContact OG-CG 3.47Å; S304-E307 PolarHBondContact OG-N 3.13Å; S304-E307 PolarHBondContact OG-OE1 3.17Å; S304-H308 PolarHBondContact O-N 3.16Å
305	L	89.4	Confident	78.4	Confident	9 Å²	9	83 Å²	83	5%	0.047	45%	0.446	C	S	.	.	H	α-helix	trans	-56.3	-39.5	176.9	176.6	64.7	0	0	0	111.2	H308 W309 L333 I337 A340 E344 I345 V348	L305-H308 PolarHBondContact O-N 3.14Å; L305-W309 WeakPolarHBondContact O-CB 3.36Å; L305-W309 PolarHBondContact O-N 3.03Å; L305-L333 HydrophobicContact CD1-CD1 4.02Å; L305-I337 HydrophobicContact CD1-CG1 3.78Å; L305-I337 HydrophobicContact CD2-CG1 4.36Å; L305-A340 HydrophobicContact CB-CB 4.15Å; L305-A340 HydrophobicContact CD2-CB 3.63Å; L305-A340 HydrophobicContact CG-CB 4.33Å; L305-E344 HydrophobicContact CB-CB 4.5Å; L305-E344 HydrophobicContact CD2-CB 4.23Å; L305-I345 HydrophobicContact CD2-CG1 3.9Å; L305-V348 HydrophobicContact CD2-CG2 4.01Å; L305-V348 HydrophobicContact CG-CG2 3.97Å
306	F	88.8	Confident	79.2	Confident	40 Å²	40	81.8 Å²	81.8	18%	0.175	44%	0.439	C	S	.	.	H	α-helix	trans	-68.6	-40.2	-179.5	-169.1	-105.4	0	0	0	112.6	S304 H308 W309 Q310 Q347 V348 R351	S304-F306 PolarHBondContact O-N 2.88Å; F306-H308 VanDerWaalsContact C-N 3.35Å; F306-W309 PolarHBondContact O-N 3.5Å; F306-Q310 HydrophobicContact CD1-CG 4.29Å; F306-Q310 HydrophobicContact CE1-CG 3.99Å; F306-Q310 VanDerWaalsContact CE1-NE2 3.25Å; F306-Q310 HydrophobicContact CZ-CG 4.24Å; F306-Q310 WeakPolarHBondContact O-CG 3.39Å; F306-Q310 PolarHBondContact O-N 3.37Å; F306-Q347 HydrophobicContact CD2-CG 4.33Å; F306-V348 HydrophobicContact CD2-CG2 4.22Å; F306-R351 HydrophobicContact CE2-CB 4.05Å; F306-R351 VanDerWaalsContact CE2-CD 3.48Å; F306-R351 HydrophobicContact CE2-CG 4.39Å
307	E	90.5	Very high	80.3	Confident	97 Å²	97	75.5 Å²	75.5	45%	0.453	41%	0.412	S	S	.	.	H	α-helix	trans	-61.1	-43.7	173	-78	158.1	-136.8	0	0	111.7	Q303 S304 Q310 A311	Q303-E307 WeakPolarHBondContact CA-OE2 3.45Å; Q303-E307 HydrophobicContact CB-CB 4.13Å; S304-E307 PolarHBondContact N-OE2 2.85Å; S304-E307 PolarHBondContact O-N 3.18Å; S304-E307 WeakPolarHBondContact OG-CB 3.46Å; S304-E307 VanDerWaalsContact OG-CG 3.24Å; S304-E307 WeakPolarHBondContact OG-CG 3.47Å; S304-E307 PolarHBondContact OG-N 3.13Å; S304-E307 PolarHBondContact OG-OE1 3.17Å; E307-Q310 PolarHBondContact O-N 2.91Å; E307-A311 PolarHBondContact O-N 3.26Å
308	H	90.5	Very high	81.3	Confident	30 Å²	30	73.8 Å²	73.8	14%	0.139	40%	0.399	C	S	.	.	H	α-helix	trans	-62.9	-46.3	176.6	-171.7	-174.5	0	0	0	110.6	S304 L305 F306 Q310 A311 V312 A332 S336	S304-H308 PolarHBondContact O-N 3.16Å; L305-H308 PolarHBondContact O-N 3.14Å; F306-H308 VanDerWaalsContact C-N 3.35Å; H308-Q310 VanDerWaalsContact C-N 3.34Å; H308-Q310 PolarHBondContact O-N 3.15Å; H308-A311 WeakPolarHBondContact O-CB 3.37Å; H308-A311 PolarHBondContact O-N 2.06Å; H308-A311 VanDerWaalsContact O-N 3.08Å; H308-V312 WeakPolarHBondContact O-CG2 3.49Å; H308-V312 PolarHBondContact O-N 3.3Å; H308-A332 PolarHBondContact CE1-O 3.48Å; H308-S336 PolarHBondContact ND1-OG 3.37Å
309	W	92.2	Very high	82.5	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.015	40%	0.396	C	S	.	.	H	α-helix	trans	-54.6	-47.9	175.2	169.9	-116.2	0	0	0	112.2	L305 F306 A311 V312 Q313 F316 L333 V348 S352 A356 V360	L305-W309 WeakPolarHBondContact O-CB 3.36Å; L305-W309 PolarHBondContact O-N 3.03Å; F306-W309 PolarHBondContact O-N 3.5Å; W309-A311 PolarHBondContact O-N 3.44Å; W309-V312 HydrophobicContact CE3-CG2 4.16Å; W309-V312 PolarHBondContact O-N 3.04Å; W309-V312 VanDerWaalsContact O-N 3.08Å; W309-Q313 HydrophobicContact CD2-CB 4.16Å; W309-Q313 HydrophobicContact CE3-CB 4.35Å; W309-Q313 HydrophobicContact CH2-CB 3.84Å; W309-Q313 HydrophobicContact CZ2-CB 3.62Å; W309-Q313 HydrophobicContact CZ3-CB 4.21Å; W309-Q313 WeakPolarHBondContact O-CB 3.36Å; W309-Q313 PolarHBondContact O-N 3.23Å; W309-F316 HydrophobicContact CH2-CB 4.42Å; W309-F316 HydrophobicContact CH2-CD2 4.23Å; W309-F316 HydrophobicContact CH2-CG 4.45Å; W309-F316 AromaticContact CZ3-CD2 3.59Å; W309-F316 HydrophobicContact CZ3-CD2 3.59Å; W309-F316 AromaticContact CZ3-CE2 3.91Å; W309-F316 HydrophobicContact CZ3-CE2 3.91Å; W309-F316 HydrophobicContact CZ3-CG 4.12Å; W309-L333 HydrophobicContact CE3-CD2 3.91Å; W309-L333 HydrophobicContact CZ3-CD2 4.13Å; W309-V348 HydrophobicContact CB-CG1 4.19Å; W309-V348 HydrophobicContact CB-CG2 4.14Å; W309-V348 HydrophobicContact CD2-CG1 3.86Å; W309-V348 HydrophobicContact CE3-CG1 4.41Å; W309-V348 HydrophobicContact CG-CG1 3.71Å; W309-V348 HydrophobicContact CG-CG2 4.34Å; W309-S352 WeakPolarHBondContact CZ2-OG 2.99Å; W309-A356 HydrophobicContact CH2-CB 4.09Å; W309-A356 HydrophobicContact CZ2-CB 4.48Å; W309-V360 HydrophobicContact CE3-CG2 4.21Å; W309-V360 HydrophobicContact CH2-CG2 3.17Å; W309-V360 HydrophobicContact CZ2-CG2 3.75Å; W309-V360 HydrophobicContact CZ3-CG2 3.43Å; W309-V360 VanDerWaalsContact CZ3-CG2 3.43Å
310	Q	91.4	Very high	83.6	Confident	101 Å²	101	69.4 Å²	69.4	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-58.6	-32.8	178.6	-75.4	-177.1	-38.3	0	0	113.1	F306 E307 H308 Q313	F306-Q310 HydrophobicContact CD1-CG 4.29Å; F306-Q310 HydrophobicContact CE1-CG 3.99Å; F306-Q310 VanDerWaalsContact CE1-NE2 3.25Å; F306-Q310 HydrophobicContact CZ-CG 4.24Å; F306-Q310 WeakPolarHBondContact O-CG 3.39Å; F306-Q310 PolarHBondContact O-N 3.37Å; E307-Q310 PolarHBondContact O-N 2.91Å; H308-Q310 VanDerWaalsContact C-N 3.34Å; H308-Q310 PolarHBondContact O-N 3.15Å; Q310-Q313 PolarHBondContact O-NE2 3.36Å; Q310-Q313 VanDerWaalsContact O-NE2 3.12Å
311	A	91.5	Very high	85.1	Confident	71 Å²	71	60.4 Å²	60.4	59%	0.587	34%	0.339	S	S	*	.	H	α-helix	trans	-73.9	-32.4	177.6	0	0	0	0	0	113.2	E307 H308 W309	E307-A311 PolarHBondContact O-N 3.26Å; H308-A311 WeakPolarHBondContact O-CB 3.37Å; H308-A311 PolarHBondContact O-N 2.06Å; H308-A311 VanDerWaalsContact O-N 3.08Å; W309-A311 PolarHBondContact O-N 3.44Å
312	V	91.9	Very high	86.4	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	31%	0.312	C	S	.	.	H	α-helix	trans	-103.9	-15.8	-173.7	-60.3	0	0	0	0	114.8	H308 W309 K314 Q315 F316	H308-V312 WeakPolarHBondContact O-CG2 3.49Å; H308-V312 PolarHBondContact O-N 3.3Å; W309-V312 HydrophobicContact CE3-CG2 4.16Å; W309-V312 PolarHBondContact O-N 3.04Å; W309-V312 VanDerWaalsContact O-N 3.08Å; V312-K314 PolarHBondContact O-N 3.39Å; V312-Q315 WeakPolarHBondContact O-CB 3.47Å; V312-Q315 PolarHBondContact O-N 3.35Å; V312-F316 HydrophobicContact CB-CE2 4.02Å; V312-F316 HydrophobicContact CG2-CD2 4.32Å; V312-F316 HydrophobicContact CG2-CE2 3.63Å; V312-F316 WeakPolarHBondContact O-CD2 3.37Å
313	Q	91	Very high	87.5	Confident	73 Å²	73	59.4 Å²	59.4	34%	0.341	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-48.9	-38.3	-172.7	64.9	-174.1	-33.6	0	0	114.4	W309 Q310 Q315 F316	W309-Q313 HydrophobicContact CD2-CB 4.16Å; W309-Q313 HydrophobicContact CE3-CB 4.35Å; W309-Q313 HydrophobicContact CH2-CB 3.84Å; W309-Q313 HydrophobicContact CZ2-CB 3.62Å; W309-Q313 HydrophobicContact CZ3-CB 4.21Å; W309-Q313 WeakPolarHBondContact O-CB 3.36Å; W309-Q313 PolarHBondContact O-N 3.23Å; Q310-Q313 PolarHBondContact O-NE2 3.36Å; Q310-Q313 VanDerWaalsContact O-NE2 3.12Å; Q313-Q315 PolarHBondContact O-N 3.46Å; Q313-F316 PolarHBondContact O-N 3Å; Q313-F316 VanDerWaalsContact O-N 3.08Å
314	K	90.6	Very high	88.3	Confident	162 Å²	162	53.4 Å²	53.4	70%	0.704	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-62.6	-27.7	179.7	-66.7	-174.1	178.4	-176.9	0	113.1	V312 F316	V312-K314 PolarHBondContact O-N 3.39Å; K314-F316 PolarHBondContact O-N 3.46Å
315	Q	91.3	Very high	88.5	Confident	59 Å²	59	54.6 Å²	54.6	28%	0.276	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-78.5	-11.2	-180	-50	-56.5	-10	0	0	112.8	V312 Q313 S320 I325 A326	V312-Q315 WeakPolarHBondContact O-CB 3.47Å; V312-Q315 PolarHBondContact O-N 3.35Å; Q313-Q315 PolarHBondContact O-N 3.46Å; Q315-S320 WeakPolarHBondContact O-CB 3.32Å; Q315-I325 HydrophobicContact CG-CG1 4.08Å; Q315-A326 WeakPolarHBondContact O-CB 3.18Å
316	F	89.7	Confident	88.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-93.8	-1.6	177.1	-70.1	-84.2	0	0	0	113.2	W309 V312 Q313 K314 F330 L333 A356 Q359 L732	W309-F316 HydrophobicContact CH2-CB 4.42Å; W309-F316 HydrophobicContact CH2-CD2 4.23Å; W309-F316 HydrophobicContact CH2-CG 4.45Å; W309-F316 AromaticContact CZ3-CD2 3.59Å; W309-F316 HydrophobicContact CZ3-CD2 3.59Å; W309-F316 AromaticContact CZ3-CE2 3.91Å; W309-F316 HydrophobicContact CZ3-CE2 3.91Å; W309-F316 HydrophobicContact CZ3-CG 4.12Å; V312-F316 HydrophobicContact CB-CE2 4.02Å; V312-F316 HydrophobicContact CG2-CD2 4.32Å; V312-F316 HydrophobicContact CG2-CE2 3.63Å; V312-F316 WeakPolarHBondContact O-CD2 3.37Å; Q313-F316 PolarHBondContact O-N 3Å; Q313-F316 VanDerWaalsContact O-N 3.08Å; K314-F316 PolarHBondContact O-N 3.46Å; F316-F330 HydrophobicContact CE1-CB 4.04Å; F316-F330 HydrophobicContact CE1-CD2 4.31Å; F316-F330 HydrophobicContact CZ-CB 4.26Å; F316-L333 HydrophobicContact CE1-CD2 4.47Å; F316-L333 HydrophobicContact CE2-CD2 4.02Å; F316-L333 HydrophobicContact CZ-CB 4.28Å; F316-L333 HydrophobicContact CZ-CD2 3.67Å; F316-A356 HydrophobicContact CB-CB 4.08Å; F316-Q359 HydrophobicContact CB-CB 4.18Å; F316-Q359 HydrophobicContact CB-CG 4.49Å; F316-Q359 HydrophobicContact CD1-CB 3.55Å; F316-Q359 HydrophobicContact CD1-CG 4.26Å; F316-Q359 HydrophobicContact CE1-CB 4.36Å; F316-Q359 HydrophobicContact CG-CB 4.3Å; F316-Q359 PolarHBondContact O-NE2 3.25Å; F316-L732 HydrophobicContact CD1-CD1 3.74Å; F316-L732 HydrophobicContact CE1-CD1 3.72Å
317	E	88.2	Confident	89	Confident	60 Å²	60	52.2 Å²	52.2	28%	0.28	27%	0.27	S	S	.	.	S	Bend	trans	-68.9	149.8	173	-65.3	-61.9	157.2	0	0	111.1	D319 S320 S353 T355	E317-D319 VanDerWaalsContact C-N 3.25Å; E317-D319 PolarHBondContact O-N 3.43Å; E317-D319 VanDerWaalsContact O-N 3.08Å; E317-S320 PolarHBondContact O-N 3.02Å; E317-S353 PolarHBondContact OE1-OG 2.83Å; E317-T355 PolarHBondContact OE1-OG1 3.35Å; E317-T355 WeakPolarHBondContact OE2-CB 3.27Å; E317-T355 PolarHBondContact OE2-OG1 3.34Å
318	P	80.4	Confident	89.2	Confident	50 Å²	50	51 Å²	51	33%	0.325	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-51	-37.2	-172.9	-30	36	0	0	0	115.6	S320 L321	P318-S320 PolarHBondContact O-N 2.81Å; P318-L321 PolarHBondContact O-N 3.13Å
319	D	79.7	Confident	89.4	Confident	138 Å²	138	50.2 Å²	50.2	74%	0.738	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.4	-178	-60	-20.6	0	0	0	113.8	E317	E317-D319 VanDerWaalsContact C-N 3.25Å; E317-D319 PolarHBondContact O-N 3.43Å; E317-D319 VanDerWaalsContact O-N 3.08Å
320	S	83.1	Confident	89.5	Confident	19 Å²	19	50 Å²	50	13%	0.133	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-97.6	-14.1	-177.8	-62.2	0	0	0	0	112.9	Q315 E317 P318 S322 K323 A326	Q315-S320 WeakPolarHBondContact O-CB 3.32Å; E317-S320 PolarHBondContact O-N 3.02Å; P318-S320 PolarHBondContact O-N 2.81Å; S320-S322 VanDerWaalsContact C-N 3.27Å; S320-S322 PolarHBondContact O-N 2.85Å; S320-K323 WeakPolarHBondContact O-CB 3.48Å; S320-K323 PolarHBondContact O-N 3.38Å; S320-A326 VanDerWaalsContact O-CB 3.26Å; S320-A326 WeakPolarHBondContact O-CB 3.09Å
321	L	83.3	Confident	89.7	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.8	-173.8	-62.3	-175.8	0	0	0	113.3	P318 K323 A326 Q359 K730 L732 A759	P318-L321 PolarHBondContact O-N 3.13Å; L321-K323 PolarHBondContact O-N 3.32Å; L321-A326 HydrophobicContact CD2-CB 4.23Å; L321-Q359 HydrophobicContact CD1-CG 4.31Å; L321-Q359 HydrophobicContact CD2-CG 3.88Å; L321-K730 HydrophobicContact CD1-CD 4.15Å; L321-K730 HydrophobicContact CD1-CG 3.99Å; L321-L732 HydrophobicContact CD2-CD1 4.32Å; L321-A759 WeakPolarHBondContact O-CB 3.46Å
322	S	83	Confident	89.8	Confident	40 Å²	40	43.9 Å²	43.9	28%	0.28	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0	176.6	55.6	0	0	0	0	114	S320	S320-S322 VanDerWaalsContact C-N 3.27Å; S320-S322 PolarHBondContact O-N 2.85Å
323	K	89.9	Confident	89.9	Confident	106 Å²	106	43.2 Å²	43.2	46%	0.461	22%	0.22	S	C	.	.	S	Bend	trans	-108	148.4	-179.2	-60.4	177.2	-176.2	169.6	0	110.7	S320 L321 I325 A326 P327 E809	S320-K323 WeakPolarHBondContact O-CB 3.48Å; S320-K323 PolarHBondContact O-N 3.38Å; L321-K323 PolarHBondContact O-N 3.32Å; K323-I325 HydrophobicContact CB-CG2 4.09Å; K323-I325 PolarHBondContact O-N 3.17Å; K323-A326 PolarHBondContact O-N 2.91Å; K323-A326 VanDerWaalsContact O-N 3.14Å; K323-P327 WeakPolarHBondContact O-CD 3.29Å; K323-E809 WeakPolarHBondContact CA-OE1 3.19Å
324	A	90.6	Very high	90.1	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.025	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.7	-179.5	0	0	0	0	0	113.9	P327 R328 V786 E807 E809	A324-P327 WeakPolarHBondContact O-CD 2.9Å; A324-P327 WeakPolarHBondContact O-CG 3.35Å; A324-R328 WeakPolarHBondContact O-CB 3.42Å; A324-R328 PolarHBondContact O-N 2.76Å; A324-V786 HydrophobicContact CB-CG2 4Å; A324-V786 VanDerWaalsContact O-CG2 3.29Å; A324-V786 WeakPolarHBondContact O-CG2 3.4Å; A324-E807 HydrophobicContact CB-CB 3.92Å; A324-E807 HydrophobicContact CB-CG 4.02Å; A324-E809 HydrophobicContact CB-CG 3.99Å; A324-E809 WeakPolarHBondContact CB-OE1 3.3Å; A324-E809 PolarHBondContact N-OE1 2.91Å
325	I	91.7	Very high	90.1	Very high	66 Å²	66	33.4 Å²	33.4	34%	0.338	18%	0.177	S	C	.	.	H	α-helix	trans	-65.4	-37.4	176.5	-165.1	64.7	0	0	0	112.4	Q315 K323 R328 S329	Q315-I325 HydrophobicContact CG-CG1 4.08Å; K323-I325 HydrophobicContact CB-CG2 4.09Å; K323-I325 PolarHBondContact O-N 3.17Å; I325-R328 PolarHBondContact O-N 2.96Å; I325-S329 WeakPolarHBondContact O-CB 3.49Å; I325-S329 PolarHBondContact O-N 3.45Å; I325-S329 PolarHBondContact O-OG 3.31Å
326	A	93.2	Very high	90.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-55	-179.8	0	0	0	0	0	113.1	Q315 S320 L321 K323 R328 S329 F330	Q315-A326 WeakPolarHBondContact O-CB 3.18Å; S320-A326 VanDerWaalsContact O-CB 3.26Å; S320-A326 WeakPolarHBondContact O-CB 3.09Å; L321-A326 HydrophobicContact CD2-CB 4.23Å; K323-A326 PolarHBondContact O-N 2.91Å; K323-A326 VanDerWaalsContact O-N 3.14Å; A326-R328 VanDerWaalsContact C-N 3.27Å; A326-R328 PolarHBondContact O-N 2.7Å; A326-S329 PolarHBondContact O-N 2.65Å; A326-F330 WeakPolarHBondContact O-CB 3.37Å; A326-F330 PolarHBondContact O-N 3.03Å
327	P	94.6	Very high	90.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-31.7	175.4	24.8	-32.9	0	0	0	112.2	K323 A324 F330 L331 L732 A759 A784 V786	K323-P327 WeakPolarHBondContact O-CD 3.29Å; A324-P327 WeakPolarHBondContact O-CD 2.9Å; A324-P327 WeakPolarHBondContact O-CG 3.35Å; P327-F330 WeakPolarHBondContact O-CB 3.38Å; P327-F330 PolarHBondContact O-N 3.15Å; P327-L331 WeakPolarHBondContact O-CG 3.43Å; P327-L331 PolarHBondContact O-N 3.34Å; P327-L732 HydrophobicContact CB-CD2 4.41Å; P327-A759 HydrophobicContact CG-CB 4.49Å; P327-A784 HydrophobicContact CG-CB 4.09Å; P327-V786 HydrophobicContact CB-CB 4.3Å; P327-V786 HydrophobicContact CB-CG2 4.25Å; P327-V786 HydrophobicContact CG-CB 4.31Å; P327-V786 HydrophobicContact CG-CG2 3.74Å
328	R	94.6	Very high	90.4	Very high	71 Å²	71	31.6 Å²	31.6	27%	0.268	17%	0.17	S	C	.	.	H	α-helix	trans	-64.2	-46.8	172.4	-177.5	176.4	-79.4	105.6	-3.2	111.9	A324 I325 A326 F330 L331 A332 V786 E807	A324-R328 WeakPolarHBondContact O-CB 3.42Å; A324-R328 PolarHBondContact O-N 2.76Å; I325-R328 PolarHBondContact O-N 2.96Å; A326-R328 VanDerWaalsContact C-N 3.27Å; A326-R328 PolarHBondContact O-N 2.7Å; R328-F330 VanDerWaalsContact C-N 3.31Å; R328-L331 PolarHBondContact O-N 3.44Å; R328-A332 PolarHBondContact O-N 3.03Å; R328-V786 HydrophobicContact CB-CG1 4.27Å; R328-V786 HydrophobicContact CB-CG2 4.35Å; R328-E807 IonicContact CZ-OE2 3.74Å; R328-E807 IonicContact NH1-OE2 2.71Å; R328-E807 PolarHBondContact NH1-OE2 2.84Å; R328-E807 IonicContact NH2-OE2 3.89Å; R328-E807 PolarHBondContact NH2-OE2 2.8Å
329	S	94.8	Very high	90.8	Very high	13 Å²	13	37 Å²	37	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-36.5	176.3	-75.7	0	0	0	0	112.2	I325 A326 A332 L333	I325-S329 WeakPolarHBondContact O-CB 3.49Å; I325-S329 PolarHBondContact O-N 3.45Å; I325-S329 PolarHBondContact O-OG 3.31Å; A326-S329 PolarHBondContact O-N 2.65Å; S329-A332 PolarHBondContact O-N 2.73Å; S329-L333 WeakPolarHBondContact O-CB 3.07Å; S329-L333 PolarHBondContact O-N 2.97Å
330	F	95.7	Very high	91.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-51	171.8	170.8	-105.1	0	0	0	112.5	F316 A326 P327 R328 A332 L333 I334 D362 A363 L732 L734	F316-F330 HydrophobicContact CE1-CB 4.04Å; F316-F330 HydrophobicContact CE1-CD2 4.31Å; F316-F330 HydrophobicContact CZ-CB 4.26Å; A326-F330 WeakPolarHBondContact O-CB 3.37Å; A326-F330 PolarHBondContact O-N 3.03Å; P327-F330 WeakPolarHBondContact O-CB 3.38Å; P327-F330 PolarHBondContact O-N 3.15Å; R328-F330 VanDerWaalsContact C-N 3.31Å; F330-A332 VanDerWaalsContact C-N 3.33Å; F330-A332 PolarHBondContact O-N 2.73Å; F330-L333 PolarHBondContact O-N 3.1Å; F330-I334 HydrophobicContact CD1-CD1 3.86Å; F330-I334 HydrophobicContact CD2-CD1 4.19Å; F330-I334 HydrophobicContact CE1-CD1 3.46Å; F330-I334 VanDerWaalsContact CE1-CD1 3.46Å; F330-I334 HydrophobicContact CE2-CD1 3.84Å; F330-I334 HydrophobicContact CE2-CG1 4.5Å; F330-I334 HydrophobicContact CG-CD1 4.22Å; F330-I334 HydrophobicContact CZ-CD1 3.46Å; F330-I334 VanDerWaalsContact CZ-CD1 3.46Å; F330-I334 WeakPolarHBondContact O-CG1 3.38Å; F330-I334 PolarHBondContact O-N 3.05Å; F330-D362 HydrophobicContact CE2-CB 4.15Å; F330-A363 HydrophobicContact CD2-CB 3.82Å; F330-A363 VanDerWaalsContact CE2-CA 3.48Å; F330-A363 HydrophobicContact CE2-CB 3.85Å; F330-L732 HydrophobicContact CB-CD1 4.09Å; F330-L732 HydrophobicContact CB-CD2 4.24Å; F330-L732 HydrophobicContact CD1-CB 4.39Å; F330-L732 HydrophobicContact CD2-CB 3.72Å; F330-L732 HydrophobicContact CD2-CD1 3.8Å; F330-L732 HydrophobicContact CD2-CG 4.27Å; F330-L732 HydrophobicContact CE1-CB 4.35Å; F330-L732 HydrophobicContact CE2-CB 3.65Å; F330-L732 HydrophobicContact CE2-CD1 4.48Å; F330-L732 HydrophobicContact CG-CB 4.07Å; F330-L732 HydrophobicContact CG-CD1 4.13Å; F330-L732 HydrophobicContact CG-CD2 4.31Å; F330-L732 HydrophobicContact CG-CG 4.42Å; F330-L732 HydrophobicContact CZ-CB 3.98Å; F330-L734 HydrophobicContact CE1-CB 4.15Å; F330-L734 HydrophobicContact CZ-CB 4.34Å
331	L	95.1	Very high	91.9	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-42.2	177	-68.3	-176.4	0	0	0	112.1	P327 R328 I334 Q335 L734 Q755 V786 T788	P327-L331 WeakPolarHBondContact O-CG 3.43Å; P327-L331 PolarHBondContact O-N 3.34Å; R328-L331 PolarHBondContact O-N 3.44Å; L331-I334 PolarHBondContact O-N 2.87Å; L331-Q335 WeakPolarHBondContact O-CG 3.48Å; L331-Q335 PolarHBondContact O-N 2.86Å; L331-L734 HydrophobicContact CD2-CD1 3.56Å; L331-Q755 HydrophobicContact CD1-CB 4.1Å; L331-Q755 HydrophobicContact CD2-CB 3.81Å; L331-Q755 HydrophobicContact CG-CB 4.44Å; L331-V786 HydrophobicContact CD1-CG1 4.29Å; L331-T788 HydrophobicContact CD1-CG2 4.22Å
332	A	92.9	Very high	92.5	Very high	39 Å²	39	35.2 Å²	35.2	32%	0.322	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-42.8	176.7	0	0	0	0	0	112.1	H308 R328 S329 F330 Q335 S336	H308-A332 PolarHBondContact CE1-O 3.48Å; R328-A332 PolarHBondContact O-N 3.03Å; S329-A332 PolarHBondContact O-N 2.73Å; F330-A332 VanDerWaalsContact C-N 3.33Å; F330-A332 PolarHBondContact O-N 2.73Å; A332-Q335 PolarHBondContact O-N 3.19Å; A332-S336 PolarHBondContact O-N 3.35Å
333	L	94.4	Very high	93.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-42.5	178.8	-176.8	62	0	0	0	111.6	L305 W309 F316 S329 F330 Q335 S336 I337 A363	L305-L333 HydrophobicContact CD1-CD1 4.02Å; W309-L333 HydrophobicContact CE3-CD2 3.91Å; W309-L333 HydrophobicContact CZ3-CD2 4.13Å; F316-L333 HydrophobicContact CE1-CD2 4.47Å; F316-L333 HydrophobicContact CE2-CD2 4.02Å; F316-L333 HydrophobicContact CZ-CB 4.28Å; F316-L333 HydrophobicContact CZ-CD2 3.67Å; S329-L333 WeakPolarHBondContact O-CB 3.07Å; S329-L333 PolarHBondContact O-N 2.97Å; F330-L333 PolarHBondContact O-N 3.1Å; L333-Q335 PolarHBondContact O-N 3.25Å; L333-S336 WeakPolarHBondContact O-CB 3.42Å; L333-S336 PolarHBondContact O-N 3.44Å; L333-I337 HydrophobicContact CD1-CD1 4.4Å; L333-I337 HydrophobicContact CD1-CG1 4.45Å; L333-I337 HydrophobicContact CD2-CD1 4.37Å; L333-I337 HydrophobicContact CG-CD1 3.83Å; L333-I337 HydrophobicContact CG-CG1 4.33Å; L333-I337 WeakPolarHBondContact O-CG1 3.29Å; L333-I337 PolarHBondContact O-N 3.04Å; L333-A363 HydrophobicContact CD2-CB 4.04Å
334	I	94.8	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54	-43.3	175.3	-75.1	166.4	0	0	0	111.2	F330 L331 S336 I337 R338 A363 L734	F330-I334 HydrophobicContact CD1-CD1 3.86Å; F330-I334 HydrophobicContact CD2-CD1 4.19Å; F330-I334 HydrophobicContact CE1-CD1 3.46Å; F330-I334 VanDerWaalsContact CE1-CD1 3.46Å; F330-I334 HydrophobicContact CE2-CD1 3.84Å; F330-I334 HydrophobicContact CE2-CG1 4.5Å; F330-I334 HydrophobicContact CG-CD1 4.22Å; F330-I334 HydrophobicContact CZ-CD1 3.46Å; F330-I334 VanDerWaalsContact CZ-CD1 3.46Å; F330-I334 WeakPolarHBondContact O-CG1 3.38Å; F330-I334 PolarHBondContact O-N 3.05Å; L331-I334 PolarHBondContact O-N 2.87Å; I334-S336 VanDerWaalsContact C-N 3.29Å; I334-S336 PolarHBondContact O-N 2.74Å; I334-I337 PolarHBondContact O-N 3.49Å; I334-R338 HydrophobicContact CG2-CG 4.46Å; I334-R338 WeakPolarHBondContact O-CG 3.37Å; I334-R338 PolarHBondContact O-N 2.96Å; I334-A363 HydrophobicContact CG1-CB 4.39Å; I334-L734 HydrophobicContact CD1-CB 4.48Å; I334-L734 HydrophobicContact CD1-CD1 4.32Å; I334-L734 HydrophobicContact CD1-CD2 4.37Å
335	Q	90.4	Very high	93.6	Very high	28 Å²	28	37.4 Å²	37.4	13%	0.131	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-32.1	179.7	-72.5	-70.4	-2.6	0	0	113.4	L331 A332 L333 E753 Q755	L331-Q335 WeakPolarHBondContact O-CG 3.48Å; L331-Q335 PolarHBondContact O-N 2.86Å; A332-Q335 PolarHBondContact O-N 3.19Å; L333-Q335 PolarHBondContact O-N 3.25Å; Q335-E753 PolarHBondContact NE2-OE2 2.86Å; Q335-E753 PolarHBondContact OE1-OE2 3.05Å; Q335-Q755 VanDerWaalsContact NE2-NE2 3.16Å
336	S	91.8	Very high	93.8	Very high	33 Å²	33	34.7 Å²	34.7	23%	0.231	18%	0.177	C	C	.	.	H	α-helix	trans	-74	-42.4	171.7	-73.6	0	0	0	0	111.9	H308 A332 L333 I334 R338 K339 A340	H308-S336 PolarHBondContact ND1-OG 3.37Å; A332-S336 PolarHBondContact O-N 3.35Å; L333-S336 WeakPolarHBondContact O-CB 3.42Å; L333-S336 PolarHBondContact O-N 3.44Å; I334-S336 VanDerWaalsContact C-N 3.29Å; I334-S336 PolarHBondContact O-N 2.74Å; S336-R338 VanDerWaalsContact C-N 3.29Å; S336-R338 PolarHBondContact O-N 3.45Å; S336-K339 PolarHBondContact O-N 2.82Å; S336-K339 VanDerWaalsContact O-N 3.11Å; S336-A340 PolarHBondContact O-N 3.28Å
337	I	93.9	Very high	93.9	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-40.3	178.3	-66.3	167.2	0	0	0	110.8	L305 L333 I334 K339 A340 I345 A363 V364 S367	L305-I337 HydrophobicContact CD1-CG1 3.78Å; L305-I337 HydrophobicContact CD2-CG1 4.36Å; L333-I337 HydrophobicContact CD1-CD1 4.4Å; L333-I337 HydrophobicContact CD1-CG1 4.45Å; L333-I337 HydrophobicContact CD2-CD1 4.37Å; L333-I337 HydrophobicContact CG-CD1 3.83Å; L333-I337 HydrophobicContact CG-CG1 4.33Å; L333-I337 WeakPolarHBondContact O-CG1 3.29Å; L333-I337 PolarHBondContact O-N 3.04Å; I334-I337 PolarHBondContact O-N 3.49Å; I337-K339 PolarHBondContact O-N 2.92Å; I337-A340 PolarHBondContact O-N 3.47Å; I337-I345 HydrophobicContact CG2-CD1 3.86Å; I337-I345 HydrophobicContact CG2-CG1 4.14Å; I337-A363 HydrophobicContact CD1-CB 4.12Å; I337-V364 HydrophobicContact CD1-CG2 3.91Å; I337-S367 VanDerWaalsContact CG2-OG 3.27Å; I337-S367 WeakPolarHBondContact CG2-OG 3.46Å
338	R	91.6	Very high	93.9	Very high	45 Å²	45	38.2 Å²	38.2	17%	0.17	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20	177.6	-78.4	176.8	174.8	171.7	1.9	114.6	I334 S336 S367 T369 D737	I334-R338 HydrophobicContact CG2-CG 4.46Å; I334-R338 WeakPolarHBondContact O-CG 3.37Å; I334-R338 PolarHBondContact O-N 2.96Å; S336-R338 VanDerWaalsContact C-N 3.29Å; S336-R338 PolarHBondContact O-N 3.45Å; R338-S367 PolarHBondContact NE-O 3.19Å; R338-T369 HydrophobicContact CB-CG2 4.24Å; R338-T369 HydrophobicContact CG-CG2 3.99Å; R338-D737 IonicContact CZ-OD1 2.7Å; R338-D737 IonicContact CZ-OD2 3.75Å; R338-D737 IonicContact NH1-OD1 2.62Å; R338-D737 PolarHBondContact NH1-OD1 3.05Å; R338-D737 IonicContact NH1-OD2 3.76Å; R338-D737 IonicContact NH2-OD1 3.09Å; R338-D737 PolarHBondContact NH2-OD1 2.85Å; R338-D737 IonicContact NH2-OD2 2.91Å; R338-D737 PolarHBondContact NH2-OD2 3.42Å
339	K	88.6	Confident	93.9	Very high	163 Å²	163	35 Å²	35	71%	0.709	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-7.8	-179.1	-62.6	170.7	-172.8	166.7	0	112.6	S336 I337	S336-K339 PolarHBondContact O-N 2.82Å; S336-K339 VanDerWaalsContact O-N 3.11Å; I337-K339 PolarHBondContact O-N 2.92Å
340	A	91.6	Very high	93.8	Very high	11 Å²	11	41.3 Å²	41.3	9%	0.091	21%	0.208	C	C	.	.	S	Bend	trans	-90.2	157.9	-174.1	0	0	0	0	0	111.8	L305 S336 I337 E344 I345	L305-A340 HydrophobicContact CB-CB 4.15Å; L305-A340 HydrophobicContact CD2-CB 3.63Å; L305-A340 HydrophobicContact CG-CB 4.33Å; S336-A340 PolarHBondContact O-N 3.28Å; I337-A340 PolarHBondContact O-N 3.47Å; A340-E344 HydrophobicContact CB-CB 4.4Å; A340-I345 HydrophobicContact CB-CD1 4.46Å; A340-I345 HydrophobicContact CB-CG1 4.1Å
341	S	93.9	Very high	93.6	Very high	51 Å²	51	48.7 Å²	48.7	36%	0.357	24%	0.236	S	C	.	.			trans	-82.5	160.9	173.2	62.9	0	0	0	0	111.9	D343 E344 I345	S341-D343 VanDerWaalsContact C-N 3.26Å; S341-D343 PolarHBondContact O-N 3.14Å; S341-E344 PolarHBondContact N-OE2 3.33Å; S341-E344 PolarHBondContact O-N 3.07Å; S341-E344 WeakPolarHBondContact OG-CG 3.39Å; S341-E344 PolarHBondContact OG-OE2 2.88Å; S341-I345 VanDerWaalsContact O-CG1 3.3Å; S341-I345 WeakPolarHBondContact O-CG1 2.89Å; S341-I345 PolarHBondContact O-N 2.87Å; S341-I345 VanDerWaalsContact O-N 3.15Å
342	K	96.2	Very high	93.4	Very high	62 Å²	62	49.4 Å²	49.4	27%	0.27	24%	0.241	S	C	.	.	H	α-helix	trans	-51	-43	175.8	-177.5	-177.1	173.8	-176.3	0	113.3	I345 L346 D371 D374 A375	K342-I345 PolarHBondContact O-N 3.4Å; K342-L346 HydrophobicContact CG-CD1 4.23Å; K342-L346 WeakPolarHBondContact O-CG 3.4Å; K342-L346 PolarHBondContact O-N 3.01Å; K342-D371 HydrophobicContact CB-CB 4.3Å; K342-D374 HydrophobicContact CD-CB 3.93Å; K342-A375 HydrophobicContact CG-CB 4.07Å
343	D	95.5	Very high	93.3	Very high	120 Å²	120	49.9 Å²	49.9	64%	0.642	24%	0.242	S	C	*	.	H	α-helix	trans	-69.2	-39.7	-176	-67.4	-34.7	0	0	0	112.6	S341 I345 L346 Q347	S341-D343 VanDerWaalsContact C-N 3.26Å; S341-D343 PolarHBondContact O-N 3.14Å; D343-I345 VanDerWaalsContact C-N 3.31Å; D343-I345 PolarHBondContact O-N 3.45Å; D343-L346 PolarHBondContact O-N 3.19Å; D343-Q347 PolarHBondContact O-N 3.16Å
344	E	93.8	Very high	93	Very high	73 Å²	73	59.3 Å²	59.3	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-39.5	174.6	-68.8	169.7	133.9	0	0	111.2	L305 A340 S341 Q347 V348	L305-E344 HydrophobicContact CB-CB 4.5Å; L305-E344 HydrophobicContact CD2-CB 4.23Å; A340-E344 HydrophobicContact CB-CB 4.4Å; S341-E344 PolarHBondContact N-OE2 3.33Å; S341-E344 PolarHBondContact O-N 3.07Å; S341-E344 WeakPolarHBondContact OG-CG 3.39Å; S341-E344 PolarHBondContact OG-OE2 2.88Å; E344-Q347 WeakPolarHBondContact O-CB 3.37Å; E344-Q347 PolarHBondContact O-N 3.33Å; E344-V348 PolarHBondContact O-N 3.44Å
345	I	96.5	Very high	92.6	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-46.1	177.2	-63.7	167.5	0	0	0	110.4	L305 I337 A340 S341 K342 D343 Q347 V348 L349 V364 D371 A375	L305-I345 HydrophobicContact CD2-CG1 3.9Å; I337-I345 HydrophobicContact CG2-CD1 3.86Å; I337-I345 HydrophobicContact CG2-CG1 4.14Å; A340-I345 HydrophobicContact CB-CD1 4.46Å; A340-I345 HydrophobicContact CB-CG1 4.1Å; S341-I345 VanDerWaalsContact O-CG1 3.3Å; S341-I345 WeakPolarHBondContact O-CG1 2.89Å; S341-I345 PolarHBondContact O-N 2.87Å; S341-I345 VanDerWaalsContact O-N 3.15Å; K342-I345 PolarHBondContact O-N 3.4Å; D343-I345 VanDerWaalsContact C-N 3.31Å; D343-I345 PolarHBondContact O-N 3.45Å; I345-Q347 VanDerWaalsContact C-N 3.26Å; I345-Q347 PolarHBondContact O-N 2.83Å; I345-V348 PolarHBondContact O-N 3.27Å; I345-L349 HydrophobicContact CG2-CD1 4.17Å; I345-L349 PolarHBondContact O-N 2.8Å; I345-V364 HydrophobicContact CG2-CB 4.44Å; I345-V364 HydrophobicContact CG2-CG1 3.56Å; I345-V364 HydrophobicContact CG2-CG2 3.88Å; I345-D371 HydrophobicContact CD1-CB 4.44Å; I345-A375 HydrophobicContact CB-CB 4.02Å; I345-A375 HydrophobicContact CG2-CB 3.61Å
346	L	96.1	Very high	92.6	Very high	9 Å²	9	61.3 Å²	61.3	5%	0.047	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-35.4	175.6	-76.2	173.5	0	0	0	112.4	K342 D343 L349 K350 A375 Q378 F379	K342-L346 HydrophobicContact CG-CD1 4.23Å; K342-L346 WeakPolarHBondContact O-CG 3.4Å; K342-L346 PolarHBondContact O-N 3.01Å; D343-L346 PolarHBondContact O-N 3.19Å; L346-L349 HydrophobicContact CD2-CD1 4.44Å; L346-L349 PolarHBondContact O-N 3.09Å; L346-K350 WeakPolarHBondContact O-CB 3.37Å; L346-K350 VanDerWaalsContact O-CG 3.3Å; L346-K350 WeakPolarHBondContact O-CG 3.32Å; L346-K350 PolarHBondContact O-N 3Å; L346-A375 HydrophobicContact CD2-CB 4.1Å; L346-A375 WeakPolarHBondContact CD2-O 3.34Å; L346-A375 HydrophobicContact CG-CB 3.99Å; L346-Q378 HydrophobicContact CD2-CB 4.5Å; L346-F379 HydrophobicContact CD2-CB 4.12Å
347	Q	95	Very high	92.7	Very high	71 Å²	71	60.9 Å²	60.9	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-42.5	175.6	-173.9	-177.7	7.7	0	0	111.7	F306 D343 E344 I345 R351	F306-Q347 HydrophobicContact CD2-CG 4.33Å; D343-Q347 PolarHBondContact O-N 3.16Å; E344-Q347 WeakPolarHBondContact O-CB 3.37Å; E344-Q347 PolarHBondContact O-N 3.33Å; I345-Q347 VanDerWaalsContact C-N 3.26Å; I345-Q347 PolarHBondContact O-N 2.83Å; Q347-R351 WeakPolarHBondContact O-CB 3.23Å; Q347-R351 WeakPolarHBondContact O-CG 3.47Å; Q347-R351 PolarHBondContact O-N 2.83Å
348	V	94.6	Very high	92.7	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.024	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-48.1	175.9	173.4	0	0	0	0	110.9	L305 F306 W309 E344 I345 K350 R351 S352 V360	L305-V348 HydrophobicContact CD2-CG2 4.01Å; L305-V348 HydrophobicContact CG-CG2 3.97Å; F306-V348 HydrophobicContact CD2-CG2 4.22Å; W309-V348 HydrophobicContact CB-CG1 4.19Å; W309-V348 HydrophobicContact CB-CG2 4.14Å; W309-V348 HydrophobicContact CD2-CG1 3.86Å; W309-V348 HydrophobicContact CE3-CG1 4.41Å; W309-V348 HydrophobicContact CG-CG1 3.71Å; W309-V348 HydrophobicContact CG-CG2 4.34Å; E344-V348 PolarHBondContact O-N 3.44Å; I345-V348 PolarHBondContact O-N 3.27Å; V348-K350 VanDerWaalsContact C-N 3.35Å; V348-K350 PolarHBondContact O-N 2.84Å; V348-R351 PolarHBondContact O-N 3.44Å; V348-S352 PolarHBondContact O-N 2.85Å; V348-S352 VanDerWaalsContact O-N 3.16Å; V348-S352 PolarHBondContact O-OG 3.31Å; V348-V360 HydrophobicContact CG1-CG1 3.95Å
349	L	94.5	Very high	92.8	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-56.8	-46	178.9	-74.5	165.1	0	0	0	112.2	I345 L346 R351 L357 V360 V361 V364 M376 F379	I345-L349 HydrophobicContact CG2-CD1 4.17Å; I345-L349 PolarHBondContact O-N 2.8Å; L346-L349 HydrophobicContact CD2-CD1 4.44Å; L346-L349 PolarHBondContact O-N 3.09Å; L349-R351 PolarHBondContact O-N 2.73Å; L349-L357 HydrophobicContact CD2-CD1 4.28Å; L349-L357 WeakPolarHBondContact O-CD1 3.37Å; L349-V360 HydrophobicContact CD2-CG1 3.78Å; L349-V360 HydrophobicContact CG-CG1 4.41Å; L349-V361 HydrophobicContact CD2-CG2 4.27Å; L349-V364 HydrophobicContact CD2-CG2 4.24Å; L349-V364 HydrophobicContact CG-CG2 4.38Å; L349-M376 HydrophobicContact CD1-SD 3.93Å; L349-M376 HydrophobicContact CD2-SD 4.09Å; L349-F379 HydrophobicContact CB-CD1 4.44Å; L349-F379 HydrophobicContact CB-CD2 3.92Å; L349-F379 HydrophobicContact CB-CE1 4.45Å; L349-F379 HydrophobicContact CB-CE2 3.93Å; L349-F379 HydrophobicContact CB-CG 4.18Å; L349-F379 HydrophobicContact CB-CZ 4.21Å; L349-F379 HydrophobicContact CD1-CB 4.07Å; L349-F379 HydrophobicContact CD1-CD1 4.33Å; L349-F379 HydrophobicContact CD1-CG 4.06Å; L349-F379 HydrophobicContact CD2-CD1 4.23Å; L349-F379 HydrophobicContact CD2-CE1 4.25Å
350	K	93.5	Very high	93.1	Very high	147 Å²	147	51.9 Å²	51.9	64%	0.639	26%	0.256	S	S	*	.	H	α-helix	trans	-71.6	-25.3	-178.2	-71.1	174.8	-179.1	178	0	114.2	L346 V348 F379	L346-K350 WeakPolarHBondContact O-CB 3.37Å; L346-K350 VanDerWaalsContact O-CG 3.3Å; L346-K350 WeakPolarHBondContact O-CG 3.32Å; L346-K350 PolarHBondContact O-N 3Å; V348-K350 VanDerWaalsContact C-N 3.35Å; V348-K350 PolarHBondContact O-N 2.84Å; K350-F379 HydrophobicContact CG-CD2 4.46Å; K350-F379 HydrophobicContact CG-CE2 4.3Å
351	R	91.5	Very high	93.3	Very high	155 Å²	155	51.3 Å²	51.3	59%	0.585	25%	0.251	S	S	*	.	H	α-helix	trans	-100.4	2.2	-176.8	-68.9	-175.4	173.5	-167.9	-2.4	113.7	F306 Q347 V348 L349	F306-R351 HydrophobicContact CE2-CB 4.05Å; F306-R351 VanDerWaalsContact CE2-CD 3.48Å; F306-R351 HydrophobicContact CE2-CG 4.39Å; Q347-R351 WeakPolarHBondContact O-CB 3.23Å; Q347-R351 WeakPolarHBondContact O-CG 3.47Å; Q347-R351 PolarHBondContact O-N 2.83Å; V348-R351 PolarHBondContact O-N 3.44Å; L349-R351 PolarHBondContact O-N 2.73Å
352	S	91	Very high	93.4	Very high	19 Å²	19	49.2 Å²	49.2	13%	0.133	24%	0.236	C	C	.	.	S	Bend	trans	-76.2	147.5	178.6	-65.1	0	0	0	0	111.7	W309 V348	W309-S352 WeakPolarHBondContact CZ2-OG 2.99Å; V348-S352 PolarHBondContact O-N 2.85Å; V348-S352 VanDerWaalsContact O-N 3.16Å; V348-S352 PolarHBondContact O-OG 3.31Å
353	S	89.6	Confident	93.4	Very high	49 Å²	49	46.2 Å²	46.2	34%	0.343	22%	0.223	S	C	.	.			trans	-65.3	155.6	172.5	63.6	0	0	0	0	110.5	E317 T355 A356 L357	E317-S353 PolarHBondContact OE1-OG 2.83Å; S353-T355 PolarHBondContact O-N 2.96Å; S353-T355 PolarHBondContact OG-OG1 2.94Å; S353-A356 PolarHBondContact O-N 2.81Å; S353-A356 VanDerWaalsContact OG-CB 3.3Å; S353-A356 WeakPolarHBondContact OG-CB 3.29Å; S353-A356 PolarHBondContact OG-N 3.35Å; S353-L357 WeakPolarHBondContact O-CB 3.32Å; S353-L357 PolarHBondContact O-N 3.36Å
354	K	88.1	Confident	93.5	Very high	198 Å²	198	40.6 Å²	40.6	86%	0.861	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.7	177.3	-69.5	-175.7	178.7	179.7	0	112.9
355	T	87.8	Confident	93.6	Very high	70 Å²	70	37.4 Å²	37.4	43%	0.429	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-35.3	-177.8	47.8	0	0	0	0	113.3	E317 S353 Q359	E317-T355 PolarHBondContact OE1-OG1 3.35Å; E317-T355 WeakPolarHBondContact OE2-CB 3.27Å; E317-T355 PolarHBondContact OE2-OG1 3.34Å; S353-T355 PolarHBondContact O-N 2.96Å; S353-T355 PolarHBondContact OG-OG1 2.94Å; T355-Q359 PolarHBondContact O-OE1 3.02Å
356	A	90.3	Very high	93.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-17.4	179.1	0	0	0	0	0	113.6	W309 F316 S353 P358 Q359 V360	W309-A356 HydrophobicContact CH2-CB 4.09Å; W309-A356 HydrophobicContact CZ2-CB 4.48Å; F316-A356 HydrophobicContact CB-CB 4.08Å; S353-A356 PolarHBondContact O-N 2.81Å; S353-A356 VanDerWaalsContact OG-CB 3.3Å; S353-A356 WeakPolarHBondContact OG-CB 3.29Å; S353-A356 PolarHBondContact OG-N 3.35Å; A356-P358 VanDerWaalsContact C-CD 3.48Å; A356-Q359 VanDerWaalsContact C-OE1 3.24Å; A356-Q359 WeakPolarHBondContact O-CB 3.24Å; A356-Q359 PolarHBondContact O-N 2.94Å; A356-Q359 VanDerWaalsContact O-N 3.11Å; A356-Q359 PolarHBondContact O-OE1 3.29Å; A356-Q359 VanDerWaalsContact O-OE1 3.08Å; A356-V360 WeakPolarHBondContact O-CG2 3.48Å; A356-V360 PolarHBondContact O-N 3.08Å; A356-V360 VanDerWaalsContact O-N 3.09Å
357	L	93.4	Very high	93.5	Very high	25 Å²	25	37.3 Å²	37.3	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-55	-42.7	-178.1	-179.9	62.5	0	0	0	113.9	L349 S353 Q359 V360 V361 F379 L390	L349-L357 HydrophobicContact CD2-CD1 4.28Å; L349-L357 WeakPolarHBondContact O-CD1 3.37Å; S353-L357 WeakPolarHBondContact O-CB 3.32Å; S353-L357 PolarHBondContact O-N 3.36Å; L357-Q359 VanDerWaalsContact C-N 3.25Å; L357-Q359 PolarHBondContact O-N 2.97Å; L357-V360 PolarHBondContact O-N 3.41Å; L357-V360 VanDerWaalsContact O-N 3.17Å; L357-V361 WeakPolarHBondContact O-CG2 3.43Å; L357-V361 PolarHBondContact O-N 2.8Å; L357-F379 HydrophobicContact CD1-CE1 4.06Å; L357-F379 HydrophobicContact CD1-CZ 3.89Å; L357-F379 HydrophobicContact CD2-CE1 4.47Å; L357-F379 HydrophobicContact CD2-CZ 4.12Å; L357-L390 HydrophobicContact CD2-CD1 3.58Å; L357-L390 HydrophobicContact CD2-CD2 4.27Å; L357-L390 HydrophobicContact CG-CD1 4.1Å; L357-L390 HydrophobicContact CG-CD2 3.99Å
358	P	93.3	Very high	93.5	Very high	16 Å²	16	34.8 Å²	34.8	10%	0.104	17%	0.167	C	C	.	.	H	α-helix	trans	-56.1	-39.2	175.6	-26	35.4	0	0	0	113.3	A356 V361 D362 L390 R393	A356-P358 VanDerWaalsContact C-CD 3.48Å; P358-V361 WeakPolarHBondContact O-CB 3.16Å; P358-V361 PolarHBondContact O-N 2.9Å; P358-D362 VanDerWaalsContact O-CG 3.31Å; P358-D362 PolarHBondContact O-N 2.87Å; P358-L390 HydrophobicContact CB-CD2 4.3Å; P358-L390 HydrophobicContact CG-CD2 3.99Å; P358-R393 HydrophobicContact CB-CG 4.28Å
359	Q	93.8	Very high	93.4	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-75.1	-31.4	-179.6	-65.2	78.3	-6.3	0	0	112.3	F316 L321 T355 A356 L357 V361 D362 A363 L732	F316-Q359 HydrophobicContact CB-CB 4.18Å; F316-Q359 HydrophobicContact CB-CG 4.49Å; F316-Q359 HydrophobicContact CD1-CB 3.55Å; F316-Q359 HydrophobicContact CD1-CG 4.26Å; F316-Q359 HydrophobicContact CE1-CB 4.36Å; F316-Q359 HydrophobicContact CG-CB 4.3Å; F316-Q359 PolarHBondContact O-NE2 3.25Å; L321-Q359 HydrophobicContact CD1-CG 4.31Å; L321-Q359 HydrophobicContact CD2-CG 3.88Å; T355-Q359 PolarHBondContact O-OE1 3.02Å; A356-Q359 VanDerWaalsContact C-OE1 3.24Å; A356-Q359 WeakPolarHBondContact O-CB 3.24Å; A356-Q359 PolarHBondContact O-N 2.94Å; A356-Q359 VanDerWaalsContact O-N 3.11Å; A356-Q359 PolarHBondContact O-OE1 3.29Å; A356-Q359 VanDerWaalsContact O-OE1 3.08Å; L357-Q359 VanDerWaalsContact C-N 3.25Å; L357-Q359 PolarHBondContact O-N 2.97Å; Q359-V361 VanDerWaalsContact C-N 3.33Å; Q359-D362 WeakPolarHBondContact O-CB 3.08Å; Q359-D362 PolarHBondContact O-N 2.87Å; Q359-A363 PolarHBondContact O-N 2.97Å; Q359-L732 HydrophobicContact CB-CD1 3.89Å; Q359-L732 HydrophobicContact CG-CD1 3.93Å
360	V	94.9	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-40.1	170.5	178.7	0	0	0	0	110	W309 V348 L349 A356 L357 D362 A363 V364	W309-V360 HydrophobicContact CE3-CG2 4.21Å; W309-V360 HydrophobicContact CH2-CG2 3.17Å; W309-V360 HydrophobicContact CZ2-CG2 3.75Å; W309-V360 HydrophobicContact CZ3-CG2 3.43Å; W309-V360 VanDerWaalsContact CZ3-CG2 3.43Å; V348-V360 HydrophobicContact CG1-CG1 3.95Å; L349-V360 HydrophobicContact CD2-CG1 3.78Å; L349-V360 HydrophobicContact CG-CG1 4.41Å; A356-V360 WeakPolarHBondContact O-CG2 3.48Å; A356-V360 PolarHBondContact O-N 3.08Å; A356-V360 VanDerWaalsContact O-N 3.09Å; L357-V360 PolarHBondContact O-N 3.41Å; L357-V360 VanDerWaalsContact O-N 3.17Å; V360-D362 VanDerWaalsContact C-N 3.32Å; V360-D362 PolarHBondContact O-N 3.43Å; V360-A363 PolarHBondContact O-N 3.32Å; V360-V364 HydrophobicContact CG1-CG2 4.09Å; V360-V364 VanDerWaalsContact O-CG2 3.31Å; V360-V364 WeakPolarHBondContact O-CG2 3.16Å; V360-V364 PolarHBondContact O-N 3.09Å
361	V	96.3	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-44.5	172.4	169	0	0	0	0	110.9	L349 L357 P358 Q359 A363 T365 M376 L390 R393 F394	L349-V361 HydrophobicContact CD2-CG2 4.27Å; L357-V361 WeakPolarHBondContact O-CG2 3.43Å; L357-V361 PolarHBondContact O-N 2.8Å; P358-V361 WeakPolarHBondContact O-CB 3.16Å; P358-V361 PolarHBondContact O-N 2.9Å; Q359-V361 VanDerWaalsContact C-N 3.33Å; V361-A363 VanDerWaalsContact C-N 3.32Å; V361-A363 PolarHBondContact O-N 3.45Å; V361-T365 WeakPolarHBondContact O-CB 3.36Å; V361-T365 PolarHBondContact O-N 2.92Å; V361-T365 PolarHBondContact O-OG1 3.07Å; V361-M376 HydrophobicContact CB-CE 4.26Å; V361-M376 HydrophobicContact CG1-CE 3.66Å; V361-M376 HydrophobicContact CG2-CE 3.98Å; V361-L390 HydrophobicContact CG2-CD2 4.2Å; V361-R393 HydrophobicContact CG1-CB 3.99Å; V361-F394 HydrophobicContact CG1-CB 4.03Å
362	D	95.6	Very high	93.7	Very high	6 Å²	6	28 Å²	28	3%	0.032	15%	0.154	C	C	.	.	H	α-helix	trans	-56.7	-46.1	174.3	-63.1	-17.8	0	0	0	111	F330 P358 Q359 V360 S366 R393 L732	F330-D362 HydrophobicContact CE2-CB 4.15Å; P358-D362 VanDerWaalsContact O-CG 3.31Å; P358-D362 PolarHBondContact O-N 2.87Å; Q359-D362 WeakPolarHBondContact O-CB 3.08Å; Q359-D362 PolarHBondContact O-N 2.87Å; V360-D362 VanDerWaalsContact C-N 3.32Å; V360-D362 PolarHBondContact O-N 3.43Å; D362-S366 WeakPolarHBondContact O-CB 3.43Å; D362-S366 PolarHBondContact O-N 3.11Å; D362-S366 PolarHBondContact O-OG 3.39Å; D362-R393 IonicContact OD1-NH1 2.61Å; D362-R393 IonicContact OD2-NH1 2.73Å; D362-R393 PolarHBondContact OD2-NH1 3.14Å; D362-L732 HydrophobicContact CB-CB 4.19Å; D362-L732 WeakPolarHBondContact CB-O 3.39Å; D362-L732 PolarHBondContact OD2-N 2.72Å
363	A	96.1	Very high	94	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.4	-45.5	-177.2	0	0	0	0	0	113.3	F330 L333 I334 I337 Q359 V360 V361 S366 S367	F330-A363 HydrophobicContact CD2-CB 3.82Å; F330-A363 VanDerWaalsContact CE2-CA 3.48Å; F330-A363 HydrophobicContact CE2-CB 3.85Å; L333-A363 HydrophobicContact CD2-CB 4.04Å; I334-A363 HydrophobicContact CG1-CB 4.39Å; I337-A363 HydrophobicContact CD1-CB 4.12Å; Q359-A363 PolarHBondContact O-N 2.97Å; V360-A363 PolarHBondContact O-N 3.32Å; V361-A363 VanDerWaalsContact C-N 3.32Å; V361-A363 PolarHBondContact O-N 3.45Å; A363-S366 PolarHBondContact O-N 3.49Å; A363-S367 PolarHBondContact O-N 3.19Å; A363-S367 VanDerWaalsContact O-N 3.17Å
364	V	97.3	Very high	94.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-45.5	179.2	177.6	0	0	0	0	110	I337 I345 L349 V360 S366 S367 S372 M376	I337-V364 HydrophobicContact CD1-CG2 3.91Å; I345-V364 HydrophobicContact CG2-CB 4.44Å; I345-V364 HydrophobicContact CG2-CG1 3.56Å; I345-V364 HydrophobicContact CG2-CG2 3.88Å; L349-V364 HydrophobicContact CD2-CG2 4.24Å; L349-V364 HydrophobicContact CG-CG2 4.38Å; V360-V364 HydrophobicContact CG1-CG2 4.09Å; V360-V364 VanDerWaalsContact O-CG2 3.31Å; V360-V364 WeakPolarHBondContact O-CG2 3.16Å; V360-V364 PolarHBondContact O-N 3.09Å; V364-S366 PolarHBondContact O-N 2.91Å; V364-S367 WeakPolarHBondContact O-CB 3.35Å; V364-S367 PolarHBondContact O-N 3.22Å; V364-S367 PolarHBondContact O-OG 3.47Å; V364-S372 WeakPolarHBondContact O-CB 3.5Å; V364-M376 HydrophobicContact CB-CG 4.25Å; V364-M376 HydrophobicContact CB-SD 3.9Å; V364-M376 HydrophobicContact CG1-CG 3.57Å; V364-M376 HydrophobicContact CG1-SD 3.71Å
365	T	96.8	Very high	94.8	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.043	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-40.7	179.9	-46.6	0	0	0	0	111.6	V361 S367 Q368 F394 A397	V361-T365 WeakPolarHBondContact O-CB 3.36Å; V361-T365 PolarHBondContact O-N 2.92Å; V361-T365 PolarHBondContact O-OG1 3.07Å; T365-S367 PolarHBondContact O-N 3.24Å; T365-Q368 PolarHBondContact O-N 3.08Å; T365-F394 HydrophobicContact CG2-CD2 3.7Å; T365-F394 HydrophobicContact CG2-CE2 3.99Å; T365-A397 HydrophobicContact CG2-CB 3.66Å
366	S	95.9	Very high	95.2	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.042	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-19.2	178	-63	0	0	0	0	114	D362 A363 V364 Q368 L734	D362-S366 WeakPolarHBondContact O-CB 3.43Å; D362-S366 PolarHBondContact O-N 3.11Å; D362-S366 PolarHBondContact O-OG 3.39Å; A363-S366 PolarHBondContact O-N 3.49Å; V364-S366 PolarHBondContact O-N 2.91Å; S366-Q368 VanDerWaalsContact C-N 3.28Å; S366-Q368 WeakPolarHBondContact O-CG 3.48Å; S366-Q368 PolarHBondContact O-N 2.81Å; S366-Q368 PolarHBondContact O-NE2 3.43Å; S366-L734 WeakPolarHBondContact O-CD2 3.28Å
367	S	94.6	Very high	95.4	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-68.6	-26.5	179.8	76.7	0	0	0	0	113.6	I337 R338 A363 V364 T365 T369 S372	I337-S367 VanDerWaalsContact CG2-OG 3.27Å; I337-S367 WeakPolarHBondContact CG2-OG 3.46Å; R338-S367 PolarHBondContact NE-O 3.19Å; A363-S367 PolarHBondContact O-N 3.19Å; A363-S367 VanDerWaalsContact O-N 3.17Å; V364-S367 WeakPolarHBondContact O-CB 3.35Å; V364-S367 PolarHBondContact O-N 3.22Å; V364-S367 PolarHBondContact O-OG 3.47Å; T365-S367 PolarHBondContact O-N 3.24Å; S367-T369 VanDerWaalsContact C-N 3.31Å; S367-T369 PolarHBondContact O-N 3.31Å; S367-S372 WeakPolarHBondContact OG-CB 3.32Å; S367-S372 PolarHBondContact OG-OG 3.44Å
368	Q	94.4	Very high	95.6	Very high	18 Å²	18	22 Å²	22	8%	0.084	12%	0.119	C	C	.	.			trans	58.4	32.2	169.1	-64.9	166.8	81	0	0	114.9	T365 S366 A401 S402 H403 M408	T365-Q368 PolarHBondContact O-N 3.08Å; S366-Q368 VanDerWaalsContact C-N 3.28Å; S366-Q368 WeakPolarHBondContact O-CG 3.48Å; S366-Q368 PolarHBondContact O-N 2.81Å; S366-Q368 PolarHBondContact O-NE2 3.43Å; Q368-A401 HydrophobicContact CG-CB 4.42Å; Q368-S402 PolarHBondContact NE2-OG 2.86Å; Q368-H403 PolarHBondContact OE1-ND1 3.03Å; Q368-M408 HydrophobicContact CG-CE 4.19Å
369	T	93.5	Very high	95.7	Very high	25 Å²	25	23.8 Å²	23.8	15%	0.153	13%	0.125	C	C	.	.			trans	-96.9	158.7	172.1	72.4	0	0	0	0	112	R338 S367 D371 S372 L373	R338-T369 HydrophobicContact CB-CG2 4.24Å; R338-T369 HydrophobicContact CG-CG2 3.99Å; S367-T369 VanDerWaalsContact C-N 3.31Å; S367-T369 PolarHBondContact O-N 3.31Å; T369-D371 VanDerWaalsContact C-N 3.31Å; T369-D371 PolarHBondContact O-N 3.04Å; T369-S372 PolarHBondContact N-OG 2.9Å; T369-S372 PolarHBondContact O-N 3.2Å; T369-S372 PolarHBondContact O-OG 2.86Å; T369-S372 WeakPolarHBondContact OG1-CB 3.26Å; T369-S372 PolarHBondContact OG1-N 3.42Å; T369-S372 VanDerWaalsContact OG1-N 3.1Å; T369-S372 PolarHBondContact OG1-OG 2.91Å; T369-L373 PolarHBondContact O-N 2.68Å
370	P	94	Very high	95.7	Very high	66 Å²	66	24.3 Å²	24.3	43%	0.429	13%	0.128	S	C	.	.	H	α-helix	trans	-53.9	-47.1	171.7	-28.5	37.4	0	0	0	112.9	S372 L373 D374	P370-S372 PolarHBondContact O-N 3.37Å; P370-L373 PolarHBondContact O-N 3.17Å; P370-D374 PolarHBondContact O-N 3.18Å
371	D	95.4	Very high	95.7	Very high	74 Å²	74	29 Å²	29	40%	0.396	15%	0.154	S	C	.	.	H	α-helix	trans	-63.8	-38.7	-179.8	-67.9	-64	0	0	0	112.5	K342 I345 T369 A375	K342-D371 HydrophobicContact CB-CB 4.3Å; I345-D371 HydrophobicContact CD1-CB 4.44Å; T369-D371 VanDerWaalsContact C-N 3.31Å; T369-D371 PolarHBondContact O-N 3.04Å; D371-A375 WeakPolarHBondContact O-CB 3.24Å; D371-A375 PolarHBondContact O-N 3.11Å
372	S	96.5	Very high	95.5	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-39.6	177.4	66.2	0	0	0	0	112.5	V364 S367 T369 P370 A375 M376	V364-S372 WeakPolarHBondContact O-CB 3.5Å; S367-S372 WeakPolarHBondContact OG-CB 3.32Å; S367-S372 PolarHBondContact OG-OG 3.44Å; T369-S372 PolarHBondContact N-OG 2.9Å; T369-S372 PolarHBondContact O-N 3.2Å; T369-S372 PolarHBondContact O-OG 2.86Å; T369-S372 WeakPolarHBondContact OG1-CB 3.26Å; T369-S372 PolarHBondContact OG1-N 3.42Å; T369-S372 VanDerWaalsContact OG1-N 3.1Å; T369-S372 PolarHBondContact OG1-OG 2.91Å; P370-S372 PolarHBondContact O-N 3.37Å; S372-A375 PolarHBondContact O-N 2.98Å; S372-M376 WeakPolarHBondContact O-CG 3.47Å; S372-M376 PolarHBondContact O-N 2.91Å
373	L	96.8	Very high	95.4	Very high	15 Å²	15	31.5 Å²	31.5	8%	0.079	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-46.1	177.8	-180	61.5	0	0	0	110.3	T369 P370 A375 M376 L377 F394 R407 M408 A411	T369-L373 PolarHBondContact O-N 2.68Å; P370-L373 PolarHBondContact O-N 3.17Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.27Å; L373-M376 PolarHBondContact O-N 3.37Å; L373-M376 VanDerWaalsContact O-N 3.14Å; L373-L377 HydrophobicContact CD1-CD1 4.26Å; L373-L377 HydrophobicContact CD1-CG 4.22Å; L373-L377 HydrophobicContact CG-CD1 4.02Å; L373-L377 HydrophobicContact CG-CG 4.4Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.47Å; L373-L377 PolarHBondContact O-N 3.33Å; L373-F394 HydrophobicContact CD1-CE2 4.2Å; L373-F394 HydrophobicContact CD1-CZ 4.24Å; L373-R407 HydrophobicContact CD2-CG 4.2Å; L373-M408 HydrophobicContact CD2-CB 4.47Å; L373-A411 HydrophobicContact CD2-CB 4.33Å
374	D	96.6	Very high	95.1	Very high	43 Å²	43	34.3 Å²	34.3	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-35.3	178.7	-69.5	-17.4	0	0	0	112.5	K342 P370 Q378 R407	K342-D374 HydrophobicContact CD-CB 3.93Å; P370-D374 PolarHBondContact O-N 3.18Å; D374-Q378 WeakPolarHBondContact O-CB 3.46Å; D374-Q378 PolarHBondContact O-N 2.95Å; D374-Q378 VanDerWaalsContact O-N 3.12Å; D374-R407 IonicContact OD1-CZ 3.76Å; D374-R407 IonicContact OD1-NH2 2.72Å; D374-R407 PolarHBondContact OD1-NH2 3.45Å; D374-R407 IonicContact OD2-CZ 3.11Å; D374-R407 IonicContact OD2-NH2 3.24Å; D374-R407 PolarHBondContact OD2-NH2 3Å
375	A	97.2	Very high	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-44.6	172.4	0	0	0	0	0	111.5	K342 I345 L346 D371 S372 L373 Q378 F379	K342-A375 HydrophobicContact CG-CB 4.07Å; I345-A375 HydrophobicContact CB-CB 4.02Å; I345-A375 HydrophobicContact CG2-CB 3.61Å; L346-A375 HydrophobicContact CD2-CB 4.1Å; L346-A375 WeakPolarHBondContact CD2-O 3.34Å; L346-A375 HydrophobicContact CG-CB 3.99Å; D371-A375 WeakPolarHBondContact O-CB 3.24Å; D371-A375 PolarHBondContact O-N 3.11Å; S372-A375 PolarHBondContact O-N 2.98Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.27Å; A375-Q378 PolarHBondContact O-N 3.02Å; A375-F379 VanDerWaalsContact O-CB 3.28Å; A375-F379 WeakPolarHBondContact O-CB 3.04Å; A375-F379 PolarHBondContact O-N 2.01Å
376	M	96.6	Very high	93.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-45	178.4	-74.8	-54.7	-52.3	0	0	112.7	L349 V361 V364 S372 L373 Q378 F379 L380 F394	L349-M376 HydrophobicContact CD1-SD 3.93Å; L349-M376 HydrophobicContact CD2-SD 4.09Å; V361-M376 HydrophobicContact CB-CE 4.26Å; V361-M376 HydrophobicContact CG1-CE 3.66Å; V361-M376 HydrophobicContact CG2-CE 3.98Å; V364-M376 HydrophobicContact CB-CG 4.25Å; V364-M376 HydrophobicContact CB-SD 3.9Å; V364-M376 HydrophobicContact CG1-CG 3.57Å; V364-M376 HydrophobicContact CG1-SD 3.71Å; S372-M376 WeakPolarHBondContact O-CG 3.47Å; S372-M376 PolarHBondContact O-N 2.91Å; L373-M376 PolarHBondContact O-N 3.37Å; L373-M376 VanDerWaalsContact O-N 3.14Å; M376-Q378 VanDerWaalsContact C-N 3.27Å; M376-Q378 PolarHBondContact O-N 3.49Å; M376-F379 PolarHBondContact O-N 2.98Å; M376-F379 VanDerWaalsContact O-N 3.15Å; M376-L380 HydrophobicContact CE-CD1 3.46Å; M376-L380 VanDerWaalsContact CE-CD1 3.46Å; M376-L380 HydrophobicContact CE-CD2 4.32Å; M376-L380 HydrophobicContact CE-CG 3.76Å; M376-L380 PolarHBondContact O-N 3.4Å; M376-F394 HydrophobicContact CB-CD2 4.1Å; M376-F394 HydrophobicContact CB-CE2 3.95Å; M376-F394 HydrophobicContact CE-CB 4.33Å; M376-F394 HydrophobicContact CE-CD2 4Å; M376-F394 HydrophobicContact CE-CG 4.48Å; M376-F394 HydrophobicContact CG-CD2 4.35Å
377	L	95.4	Very high	92.9	Very high	60 Å²	60	47.3 Å²	47.3	31%	0.314	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-32.5	178.1	-66	174.4	0	0	0	112.3	L373 F394 A411 I415	L373-L377 HydrophobicContact CD1-CD1 4.26Å; L373-L377 HydrophobicContact CD1-CG 4.22Å; L373-L377 HydrophobicContact CG-CD1 4.02Å; L373-L377 HydrophobicContact CG-CG 4.4Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.47Å; L373-L377 PolarHBondContact O-N 3.33Å; L377-F394 HydrophobicContact CD2-CZ 4.29Å; L377-A411 HydrophobicContact CD1-CB 3.83Å; L377-A411 HydrophobicContact CD2-CB 4.24Å; L377-I415 HydrophobicContact CD2-CD1 3.81Å; L377-I415 HydrophobicContact CD2-CG1 4.47Å
378	Q	96.1	Very high	92.5	Very high	117 Å²	117	49.5 Å²	49.5	55%	0.547	27%	0.266	S	S	.	.	H	α-helix	trans	-76.6	-31.9	174	-178.3	174	-9	0	0	112.8	L346 D374 A375 M376	L346-Q378 HydrophobicContact CD2-CB 4.5Å; D374-Q378 WeakPolarHBondContact O-CB 3.46Å; D374-Q378 PolarHBondContact O-N 2.95Å; D374-Q378 VanDerWaalsContact O-N 3.12Å; A375-Q378 PolarHBondContact O-N 3.02Å; M376-Q378 VanDerWaalsContact C-N 3.27Å; M376-Q378 PolarHBondContact O-N 3.49Å
379	F	95.7	Very high	92.2	Very high	53 Å²	53	52.6 Å²	52.6	23%	0.232	29%	0.286	C	S	.	.	H	α-helix	trans	-79.8	-39.1	-177	179.9	-105.3	0	0	0	112.8	L346 L349 K350 L357 A375 M376 L390	L346-F379 HydrophobicContact CD2-CB 4.12Å; L349-F379 HydrophobicContact CB-CD1 4.44Å; L349-F379 HydrophobicContact CB-CD2 3.92Å; L349-F379 HydrophobicContact CB-CE1 4.45Å; L349-F379 HydrophobicContact CB-CE2 3.93Å; L349-F379 HydrophobicContact CB-CG 4.18Å; L349-F379 HydrophobicContact CB-CZ 4.21Å; L349-F379 HydrophobicContact CD1-CB 4.07Å; L349-F379 HydrophobicContact CD1-CD1 4.33Å; L349-F379 HydrophobicContact CD1-CG 4.06Å; L349-F379 HydrophobicContact CD2-CD1 4.23Å; L349-F379 HydrophobicContact CD2-CE1 4.25Å; K350-F379 HydrophobicContact CG-CD2 4.46Å; K350-F379 HydrophobicContact CG-CE2 4.3Å; L357-F379 HydrophobicContact CD1-CE1 4.06Å; L357-F379 HydrophobicContact CD1-CZ 3.89Å; L357-F379 HydrophobicContact CD2-CE1 4.47Å; L357-F379 HydrophobicContact CD2-CZ 4.12Å; A375-F379 VanDerWaalsContact O-CB 3.28Å; A375-F379 WeakPolarHBondContact O-CB 3.04Å; A375-F379 PolarHBondContact O-N 2.01Å; M376-F379 PolarHBondContact O-N 2.98Å; M376-F379 VanDerWaalsContact O-N 3.15Å; F379-L390 HydrophobicContact CE1-CD1 4.39Å
380	L	95	Very high	92.2	Very high	17 Å²	17	53 Å²	53	9%	0.089	29%	0.287	C	S	.	.			trans	-87.5	130	-177.4	-65.4	177.8	0	0	0	111.9	M376 F382 L390 F394	M376-L380 HydrophobicContact CE-CD1 3.46Å; M376-L380 VanDerWaalsContact CE-CD1 3.46Å; M376-L380 HydrophobicContact CE-CD2 4.32Å; M376-L380 HydrophobicContact CE-CG 3.76Å; M376-L380 PolarHBondContact O-N 3.4Å; L380-F382 HydrophobicContact CB-CD2 4.45Å; L380-F382 HydrophobicContact CB-CE2 3.97Å; L380-F382 HydrophobicContact CD1-CE2 4.4Å; L380-F382 HydrophobicContact CD1-CZ 4.35Å; L380-L390 HydrophobicContact CD2-CB 3.8Å; L380-F394 HydrophobicContact CD1-CB 3.49Å; L380-F394 VanDerWaalsContact CD1-CB 3.49Å; L380-F394 HydrophobicContact CD1-CD1 4.03Å; L380-F394 HydrophobicContact CD1-CD2 4.11Å; L380-F394 HydrophobicContact CD1-CG 3.61Å
381	N	93.8	Very high	92.2	Very high	99 Å²	99	50 Å²	50	53%	0.529	27%	0.267	S	S	.	.			trans	-106	103.9	171.4	-179.5	6.3	0	0	0	110.2	A383 D384 Q391	N381-A383 PolarHBondContact O-N 3.38Å; N381-A383 WeakPolarHBondContact OD1-CB 3.4Å; N381-A383 PolarHBondContact OD1-N 2.92Å; N381-D384 HydrophobicContact CB-CB 4.37Å; N381-D384 PolarHBondContact O-N 3.48Å; N381-Q391 PolarHBondContact O-NE2 3.06Å
382	F	92.8	Very high	92	Very high	19 Å²	19	48.1 Å²	48.1	8%	0.083	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.2	179.8	-74.5	-93.9	0	0	0	114.1	L380 D384 Q391 F394 L395 I415 K419 I420 G421 I425	L380-F382 HydrophobicContact CB-CD2 4.45Å; L380-F382 HydrophobicContact CB-CE2 3.97Å; L380-F382 HydrophobicContact CD1-CE2 4.4Å; L380-F382 HydrophobicContact CD1-CZ 4.35Å; F382-D384 VanDerWaalsContact C-N 3.34Å; F382-Q391 HydrophobicContact CD1-CB 4.42Å; F382-Q391 HydrophobicContact CD1-CG 4.12Å; F382-Q391 HydrophobicContact CE1-CB 4.09Å; F382-Q391 HydrophobicContact CE1-CG 4.13Å; F382-F394 AromaticContact CZ-CD1 3.74Å; F382-F394 HydrophobicContact CZ-CD1 3.74Å; F382-F394 AromaticContact CZ-CE1 3.87Å; F382-F394 HydrophobicContact CZ-CE1 3.87Å; F382-L395 HydrophobicContact CE1-CD1 4.47Å; F382-I415 HydrophobicContact CB-CG2 4.37Å; F382-I415 HydrophobicContact CD1-CG2 3.67Å; F382-I415 HydrophobicContact CD2-CD1 4.24Å; F382-I415 HydrophobicContact CD2-CG1 4.19Å; F382-I415 HydrophobicContact CD2-CG2 4.15Å; F382-I415 HydrophobicContact CE1-CD1 4.39Å; F382-I415 HydrophobicContact CE1-CG2 3.94Å; F382-I415 HydrophobicContact CE2-CD1 3.64Å; F382-I415 HydrophobicContact CE2-CG1 4.09Å; F382-I415 HydrophobicContact CE2-CG2 4.39Å; F382-I415 HydrophobicContact CG-CG2 3.79Å; F382-I415 HydrophobicContact CZ-CD1 3.73Å; F382-I415 HydrophobicContact CZ-CG1 4.47Å; F382-I415 HydrophobicContact CZ-CG2 4.29Å; F382-K419 CarbonylContact C-O 3.58Å; F382-I420 WeakPolarHBondContact O-CA 3.27Å; F382-G421 PolarHBondContact O-N 2.73Å; F382-I425 HydrophobicContact CD1-CG2 3.85Å; F382-I425 HydrophobicContact CE1-CG2 4.14Å
383	A	92	Very high	91.8	Very high	38 Å²	38	49.9 Å²	49.9	31%	0.314	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-16.6	175.2	0	0	0	0	0	112.9	N381 P385 K419	N381-A383 PolarHBondContact O-N 3.38Å; N381-A383 WeakPolarHBondContact OD1-CB 3.4Å; N381-A383 PolarHBondContact OD1-N 2.92Å; A383-P385 WeakPolarHBondContact O-CD 3.47Å; A383-K419 HydrophobicContact CB-CB 4.46Å; A383-K419 HydrophobicContact CB-CD 4.4Å; A383-K419 HydrophobicContact CB-CG 4.32Å; A383-K419 PolarHBondContact N-O 2.89Å
384	D	89.7	Confident	91.8	Very high	60 Å²	60	49.2 Å²	49.2	32%	0.321	26%	0.259	S	S	.	.			trans	-88.9	115.1	178.7	-177.4	8.6	0	0	0	111.1	N381 F382 K386 G387 Q391	N381-D384 HydrophobicContact CB-CB 4.37Å; N381-D384 PolarHBondContact O-N 3.48Å; F382-D384 VanDerWaalsContact C-N 3.34Å; D384-K386 PolarHBondContact O-N 3.01Å; D384-K386 WeakPolarHBondContact OD1-CB 3.09Å; D384-K386 PolarHBondContact OD1-N 3.4Å; D384-G387 PolarHBondContact O-N 3Å; D384-Q391 PolarHBondContact O-NE2 2.83Å
385	P	80.6	Confident	91.8	Very high	76 Å²	76	47.2 Å²	47.2	49%	0.494	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-68.1	-18.9	177.9	29	-35.4	0	0	0	113.2	A383 G387	A383-P385 WeakPolarHBondContact O-CD 3.47Å; P385-G387 PolarHBondContact O-N 3.18Å
386	K	81.6	Confident	91.6	Very high	192 Å²	192	48.9 Å²	48.9	84%	0.835	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-72.5	-17.3	178.2	-61.8	179.3	-179.8	178	0	112.8	D384 L388	D384-K386 PolarHBondContact O-N 3.01Å; D384-K386 WeakPolarHBondContact OD1-CB 3.09Å; D384-K386 PolarHBondContact OD1-N 3.4Å; K386-L388 VanDerWaalsContact C-N 3.3Å; K386-L388 PolarHBondContact O-N 3.11Å
387	G	82.4	Confident	91.5	Very high	18 Å²	18	49.1 Å²	49.1	19%	0.186	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-84	7	179.7	0	0	0	0	0	115.4	D384 P385 V389 L390 Q391	D384-G387 PolarHBondContact O-N 3Å; P385-G387 PolarHBondContact O-N 3.18Å; G387-V389 VanDerWaalsContact C-N 3.33Å; G387-V389 PolarHBondContact O-N 3.23Å; G387-L390 PolarHBondContact O-N 3.4Å; G387-Q391 WeakPolarHBondContact O-CG 3.46Å; G387-Q391 PolarHBondContact O-N 2.91Å
388	L	86.2	Confident	91.5	Very high	48 Å²	48	46.3 Å²	46.3	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-49.6	-47.8	-168	-170.8	150.4	0	0	0	113.5	K386 L390 Q391 E392 I425	K386-L388 VanDerWaalsContact C-N 3.3Å; K386-L388 PolarHBondContact O-N 3.11Å; L388-L390 PolarHBondContact O-N 3.4Å; L388-Q391 PolarHBondContact O-N 2.95Å; L388-E392 WeakPolarHBondContact O-CB 3.16Å; L388-E392 PolarHBondContact O-N 3.32Å; L388-I425 HydrophobicContact CG-CD1 4.16Å; L388-I425 HydrophobicContact CG-CG1 4.23Å
389	V	88.9	Confident	91.4	Very high	83 Å²	83	40.8 Å²	40.8	50%	0.503	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-45.5	-178.3	179	0	0	0	0	111.7	G387 R393	G387-V389 VanDerWaalsContact C-N 3.33Å; G387-V389 PolarHBondContact O-N 3.23Å; V389-R393 VanDerWaalsContact O-CG 3.28Å; V389-R393 WeakPolarHBondContact O-CG 3.4Å; V389-R393 PolarHBondContact O-N 3.1Å
390	L	93.3	Very high	91.3	Very high	34 Å²	34	39.5 Å²	39.5	18%	0.178	21%	0.21	C	C	.	.	H	α-helix	trans	-73.3	-36.9	-177.4	-57.8	179.5	0	0	0	111.8	L357 P358 V361 F379 L380 G387 L388 R393 F394	L357-L390 HydrophobicContact CD2-CD1 3.58Å; L357-L390 HydrophobicContact CD2-CD2 4.27Å; L357-L390 HydrophobicContact CG-CD1 4.1Å; L357-L390 HydrophobicContact CG-CD2 3.99Å; P358-L390 HydrophobicContact CB-CD2 4.3Å; P358-L390 HydrophobicContact CG-CD2 3.99Å; V361-L390 HydrophobicContact CG2-CD2 4.2Å; F379-L390 HydrophobicContact CE1-CD1 4.39Å; L380-L390 HydrophobicContact CD2-CB 3.8Å; G387-L390 PolarHBondContact O-N 3.4Å; L388-L390 PolarHBondContact O-N 3.4Å; L390-R393 PolarHBondContact O-N 3.02Å; L390-F394 PolarHBondContact O-N 2.94Å
391	Q	94.5	Very high	91.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-45.8	174.3	-67.8	160.6	3.3	0	0	110.5	N381 F382 D384 G387 L388 F394 L395 I425	N381-Q391 PolarHBondContact O-NE2 3.06Å; F382-Q391 HydrophobicContact CD1-CB 4.42Å; F382-Q391 HydrophobicContact CD1-CG 4.12Å; F382-Q391 HydrophobicContact CE1-CB 4.09Å; F382-Q391 HydrophobicContact CE1-CG 4.13Å; D384-Q391 PolarHBondContact O-NE2 2.83Å; G387-Q391 WeakPolarHBondContact O-CG 3.46Å; G387-Q391 PolarHBondContact O-N 2.91Å; L388-Q391 PolarHBondContact O-N 2.95Å; Q391-F394 PolarHBondContact O-N 2.89Å; Q391-L395 VanDerWaalsContact O-CG 3.28Å; Q391-L395 WeakPolarHBondContact O-CG 3.44Å; Q391-L395 PolarHBondContact O-N 3.35Å; Q391-I425 HydrophobicContact CB-CD1 3.84Å; Q391-I425 HydrophobicContact CB-CG1 4.38Å; Q391-I425 HydrophobicContact CB-CG2 4.32Å
392	E	91.1	Very high	91.1	Very high	35 Å²	35	34.2 Å²	34.2	16%	0.164	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-43	178.4	-174.2	171.3	-141.6	0	0	111.9	L388 F394 L395 Y396 I425 R703	L388-E392 WeakPolarHBondContact O-CB 3.16Å; L388-E392 PolarHBondContact O-N 3.32Å; E392-F394 PolarHBondContact O-N 3.43Å; E392-L395 PolarHBondContact O-N 3.15Å; E392-Y396 HydrophobicContact CG-CD2 3.72Å; E392-Y396 HydrophobicContact CG-CE1 4.46Å; E392-Y396 HydrophobicContact CG-CE2 3.18Å; E392-Y396 PolarHBondContact O-N 2.66Å; E392-Y396 WeakPolarHBondContact OE1-CE2 3.49Å; E392-Y396 PolarHBondContact OE1-OH 3.42Å; E392-I425 HydrophobicContact CB-CD1 4.02Å; E392-R703 IonicContact OE1-CZ 3.67Å; E392-R703 IonicContact OE1-NE 2.66Å; E392-R703 IonicContact OE1-NH2 3.84Å; E392-R703 PolarHBondContact OE1-NH2 3.47Å
393	R	92.4	Very high	91	Very high	38 Å²	38	34.8 Å²	34.8	14%	0.143	19%	0.186	C	C	.	.	H	α-helix	trans	-57.8	-46.4	173.8	-72.5	-59.9	-172.3	101.7	7.3	112.8	P358 V361 D362 V389 L390 L395 Y396 A397 K730 G731	P358-R393 HydrophobicContact CB-CG 4.28Å; V361-R393 HydrophobicContact CG1-CB 3.99Å; D362-R393 IonicContact OD1-NH1 2.61Å; D362-R393 IonicContact OD2-NH1 2.73Å; D362-R393 PolarHBondContact OD2-NH1 3.14Å; V389-R393 VanDerWaalsContact O-CG 3.28Å; V389-R393 WeakPolarHBondContact O-CG 3.4Å; V389-R393 PolarHBondContact O-N 3.1Å; L390-R393 PolarHBondContact O-N 3.02Å; R393-L395 PolarHBondContact O-N 2.66Å; R393-Y396 PolarHBondContact O-N 3.01Å; R393-A397 VanDerWaalsContact O-CB 3.29Å; R393-A397 WeakPolarHBondContact O-CB 3.34Å; R393-A397 PolarHBondContact O-N 3.19Å; R393-K730 PolarHBondContact NE-O 2.9Å; R393-K730 VanDerWaalsContact NE-O 3.16Å; R393-K730 PolarHBondContact NH1-O 2.87Å; R393-K730 PolarHBondContact NH2-O 2.9Å; R393-G731 VanDerWaalsContact NH1-CA 3.29Å
394	F	96	Very high	91	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-47	175.9	165	-98.5	0	0	0	111.7	V361 T365 L373 M376 L377 L380 F382 L390 Q391 E392 A397 C398 L412 I415	V361-F394 HydrophobicContact CG1-CB 4.03Å; T365-F394 HydrophobicContact CG2-CD2 3.7Å; T365-F394 HydrophobicContact CG2-CE2 3.99Å; L373-F394 HydrophobicContact CD1-CE2 4.2Å; L373-F394 HydrophobicContact CD1-CZ 4.24Å; M376-F394 HydrophobicContact CB-CD2 4.1Å; M376-F394 HydrophobicContact CB-CE2 3.95Å; M376-F394 HydrophobicContact CE-CB 4.33Å; M376-F394 HydrophobicContact CE-CD2 4Å; M376-F394 HydrophobicContact CE-CG 4.48Å; M376-F394 HydrophobicContact CG-CD2 4.35Å; L377-F394 HydrophobicContact CD2-CZ 4.29Å; L380-F394 HydrophobicContact CD1-CB 3.49Å; L380-F394 VanDerWaalsContact CD1-CB 3.49Å; L380-F394 HydrophobicContact CD1-CD1 4.03Å; L380-F394 HydrophobicContact CD1-CD2 4.11Å; L380-F394 HydrophobicContact CD1-CG 3.61Å; F382-F394 AromaticContact CZ-CD1 3.74Å; F382-F394 HydrophobicContact CZ-CD1 3.74Å; F382-F394 AromaticContact CZ-CE1 3.87Å; F382-F394 HydrophobicContact CZ-CE1 3.87Å; L390-F394 PolarHBondContact O-N 2.94Å; Q391-F394 PolarHBondContact O-N 2.89Å; E392-F394 PolarHBondContact O-N 3.43Å; F394-A397 PolarHBondContact O-N 3.23Å; F394-C398 PolarHBondContact O-N 3.13Å; F394-C398 PolarHBondContact O-SG 3.05Å; F394-C398 VanDerWaalsContact O-SG 3.4Å; F394-L412 HydrophobicContact CE1-CD2 4.08Å; F394-I415 HydrophobicContact CE1-CD1 4.13Å
395	L	95.8	Very high	91.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-44.7	-179.6	-67	171.1	0	0	0	112	F382 Q391 E392 R393 C398 G399 L412 I425 V429 I432	F382-L395 HydrophobicContact CE1-CD1 4.47Å; Q391-L395 VanDerWaalsContact O-CG 3.28Å; Q391-L395 WeakPolarHBondContact O-CG 3.44Å; Q391-L395 PolarHBondContact O-N 3.35Å; E392-L395 PolarHBondContact O-N 3.15Å; R393-L395 PolarHBondContact O-N 2.66Å; L395-C398 WeakPolarHBondContact O-CB 3.46Å; L395-C398 PolarHBondContact O-N 2.69Å; L395-G399 PolarHBondContact O-N 3.47Å; L395-L412 HydrophobicContact CD2-CD2 3.75Å; L395-I425 HydrophobicContact CD1-CG2 4.03Å; L395-V429 HydrophobicContact CD1-CG2 3.71Å; L395-V429 HydrophobicContact CD2-CG2 3.72Å; L395-V429 HydrophobicContact CG-CG2 4.38Å; L395-I432 HydrophobicContact CB-CG1 4.33Å; L395-I432 WeakPolarHBondContact O-CG2 3.45Å
396	Y	93.7	Very high	91.8	Very high	35 Å²	35	32.9 Å²	32.9	14%	0.137	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-39.9	176	-66.7	-28.1	0	0	0	112.2	E392 R393 C398 G399 F400 I432 L702	E392-Y396 HydrophobicContact CG-CD2 3.72Å; E392-Y396 HydrophobicContact CG-CE1 4.46Å; E392-Y396 HydrophobicContact CG-CE2 3.18Å; E392-Y396 PolarHBondContact O-N 2.66Å; E392-Y396 WeakPolarHBondContact OE1-CE2 3.49Å; E392-Y396 PolarHBondContact OE1-OH 3.42Å; R393-Y396 PolarHBondContact O-N 3.01Å; Y396-C398 VanDerWaalsContact C-N 3.33Å; Y396-C398 PolarHBondContact O-N 2.85Å; Y396-G399 CarbonylContact O-C 3.56Å; Y396-G399 WeakPolarHBondContact O-CA 3.39Å; Y396-G399 PolarHBondContact O-N 3.12Å; Y396-F400 WeakPolarHBondContact O-CD2 3.17Å; Y396-F400 WeakPolarHBondContact O-CG 3.28Å; Y396-F400 PolarHBondContact O-N 3.22Å; Y396-I432 HydrophobicContact CD1-CD1 4.27Å; Y396-L702 HydrophobicContact CD1-CD2 3.76Å; Y396-L702 HydrophobicContact CE1-CB 4.31Å; Y396-L702 HydrophobicContact CE1-CD2 3.85Å; Y396-L702 HydrophobicContact CG-CD2 4.37Å
397	A	94.6	Very high	92.4	Very high	7 Å²	7	29.1 Å²	29.1	6%	0.058	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-37.2	173.9	0	0	0	0	0	112.4	T365 R393 F394 F400 A401	T365-A397 HydrophobicContact CG2-CB 3.66Å; R393-A397 VanDerWaalsContact O-CB 3.29Å; R393-A397 WeakPolarHBondContact O-CB 3.34Å; R393-A397 PolarHBondContact O-N 3.19Å; F394-A397 PolarHBondContact O-N 3.23Å; A397-F400 CarbonylContact O-C 3.49Å; A397-F400 PolarHBondContact O-N 3.25Å; A397-A401 PolarHBondContact O-N 2.89Å
398	C	95.9	Very high	93.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-42.8	168.4	-73.7	0	0	0	0	111.7	F394 L395 Y396 F400 A401 M408 I432 I436	F394-C398 PolarHBondContact O-N 3.13Å; F394-C398 PolarHBondContact O-SG 3.05Å; F394-C398 VanDerWaalsContact O-SG 3.4Å; L395-C398 WeakPolarHBondContact O-CB 3.46Å; L395-C398 PolarHBondContact O-N 2.69Å; Y396-C398 VanDerWaalsContact C-N 3.33Å; Y396-C398 PolarHBondContact O-N 2.85Å; C398-F400 VanDerWaalsContact C-N 3.28Å; C398-F400 PolarHBondContact O-N 3.3Å; C398-A401 WeakPolarHBondContact O-CB 3.47Å; C398-A401 PolarHBondContact O-N 2.99Å; C398-A401 VanDerWaalsContact O-N 3.14Å; C398-M408 HydrophobicContact CB-SD 4.18Å; C398-I432 HydrophobicContact CB-CG2 4.12Å; C398-I436 HydrophobicContact CB-CD1 4.41Å
399	G	93.7	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-40.7	173.4	0	0	0	0	0	112.9	L395 Y396 K439	L395-G399 PolarHBondContact O-N 3.47Å; Y396-G399 CarbonylContact O-C 3.56Å; Y396-G399 WeakPolarHBondContact O-CA 3.39Å; Y396-G399 PolarHBondContact O-N 3.12Å; G399-K439 WeakPolarHBondContact O-CE 3.49Å; G399-K439 PolarHBondContact O-NZ 2.87Å
400	F	93.2	Very high	94	Very high	26 Å²	26	25.1 Å²	25.1	11%	0.114	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.2	178.7	-58.3	-52.3	0	0	0	114.6	Y396 A397 C398 S402 L697 V700 L702 I733	Y396-F400 WeakPolarHBondContact O-CD2 3.17Å; Y396-F400 WeakPolarHBondContact O-CG 3.28Å; Y396-F400 PolarHBondContact O-N 3.22Å; A397-F400 CarbonylContact O-C 3.49Å; A397-F400 PolarHBondContact O-N 3.25Å; C398-F400 VanDerWaalsContact C-N 3.28Å; C398-F400 PolarHBondContact O-N 3.3Å; F400-S402 PolarHBondContact O-N 3.28Å; F400-L697 HydrophobicContact CE1-CB 3.82Å; F400-L697 WeakPolarHBondContact CE1-O 3.4Å; F400-L697 HydrophobicContact CZ-CB 3.82Å; F400-L697 HydrophobicContact CZ-CD1 4.14Å; F400-V700 HydrophobicContact CD1-CB 4.34Å; F400-V700 HydrophobicContact CD1-CG2 4.03Å; F400-V700 HydrophobicContact CE1-CB 3.92Å; F400-V700 HydrophobicContact CE1-CG1 4.49Å; F400-V700 HydrophobicContact CE1-CG2 4.11Å; F400-L702 HydrophobicContact CZ-CD2 3.98Å; F400-I733 HydrophobicContact CB-CG2 3.77Å; F400-I733 HydrophobicContact CD1-CG2 4.49Å; F400-I733 HydrophobicContact CD2-CD1 4.07Å; F400-I733 HydrophobicContact CD2-CG1 4.11Å; F400-I733 HydrophobicContact CD2-CG2 3.98Å; F400-I733 HydrophobicContact CE2-CD1 3.85Å; F400-I733 HydrophobicContact CE2-CG1 4.31Å; F400-I733 HydrophobicContact CG-CG2 3.83Å; F400-I733 HydrophobicContact CZ-CD1 4.27Å
401	A	93.9	Very high	94.2	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.025	11%	0.109	C	C	.	.			trans	-50.7	127.4	-180	0	0	0	0	0	111.5	Q368 A397 C398 P404 M408 K439	Q368-A401 HydrophobicContact CG-CB 4.42Å; A397-A401 PolarHBondContact O-N 2.89Å; C398-A401 WeakPolarHBondContact O-CB 3.47Å; C398-A401 PolarHBondContact O-N 2.99Å; C398-A401 VanDerWaalsContact O-N 3.14Å; A401-P404 HydrophobicContact CB-CB 4.24Å; A401-M408 HydrophobicContact CB-CE 4.28Å; A401-M408 HydrophobicContact CB-SD 4.06Å; A401-K439 PolarHBondContact O-NZ 3.48Å
402	S	91.3	Very high	94.3	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	-72.5	-31.1	-177.3	57.2	0	0	0	0	112.2	Q368 F400 D737	Q368-S402 PolarHBondContact NE2-OG 2.86Å; F400-S402 PolarHBondContact O-N 3.28Å; S402-D737 VanDerWaalsContact OG-CB 3.31Å; S402-D737 WeakPolarHBondContact OG-CB 3.35Å; S402-D737 PolarHBondContact OG-OD2 2.89Å
403	H	90.5	Very high	94.6	Very high	31 Å²	31	22.1 Å²	22.1	14%	0.144	10%	0.101	C	C	.	.	S	Bend	trans	-143.7	66.2	-179.9	57.4	-82.1	0	0	0	112.4	F202 Q368 K443 D737	F202-H403 HydrophobicContact CB-CB 4.19Å; F202-H403 AromaticContact CD1-NE2 3.96Å; F202-H403 AromaticContact CD2-CE1 3.58Å; F202-H403 AromaticContact CD2-ND1 3.54Å; F202-H403 AromaticContact CE2-CE1 3.63Å; F202-H403 AromaticContact CG-CE1 3.89Å; F202-H403 AromaticContact CG-CG 3.99Å; F202-H403 AromaticContact CG-ND1 3.91Å; F202-H403 AromaticContact CG-NE2 3.95Å; F202-H403 AromaticContact CZ-CE1 3.97Å; Q368-H403 PolarHBondContact OE1-ND1 3.03Å; H403-K443 VanDerWaalsContact CA-NZ 3.31Å; H403-D737 IonicContact CE1-OD2 2.79Å; H403-D737 PolarHBondContact CE1-OD2 3Å; H403-D737 IonicContact ND1-OD2 3.58Å; H403-D737 PolarHBondContact ND1-OD2 2.86Å
404	P	91.9	Very high	94.8	Very high	7 Å²	7	24.6 Å²	24.6	5%	0.045	12%	0.118	C	C	.	.			trans	-61.4	153.8	178	29.8	-36.4	0	0	0	111.1	A401 M408 I436 K439 L440	A401-P404 HydrophobicContact CB-CB 4.24Å; P404-M408 HydrophobicContact CB-SD 4.12Å; P404-I436 HydrophobicContact CB-CG2 4.05Å; P404-K439 HydrophobicContact CG-CB 3.66Å; P404-K439 HydrophobicContact CG-CD 3.79Å; P404-K439 HydrophobicContact CG-CG 4.38Å; P404-L440 WeakPolarHBondContact O-CD2 3.27Å
405	N	91.3	Very high	94.7	Very high	66 Å²	66	25.4 Å²	25.4	35%	0.353	12%	0.122	S	C	.	.			trans	-126.2	168.7	177.3	63.9	25.1	0	0	0	110.7	R407 M408 L409	N405-R407 PolarHBondContact O-N 2.68Å; N405-R407 PolarHBondContact OD1-N 3.11Å; N405-M408 PolarHBondContact O-N 3.4Å; N405-M408 PolarHBondContact OD1-N 2.94Å; N405-L409 PolarHBondContact O-N 2.85Å
406	E	94.9	Very high	94.7	Very high	60 Å²	60	26.9 Å²	26.9	28%	0.28	13%	0.132	S	C	.	.	H	α-helix	trans	-57.4	-37.1	-179.7	-171.1	173.8	-160.5	0	0	112.5	M408 L409 Q410 L448 P449 T450	E406-M408 VanDerWaalsContact C-N 3.33Å; E406-M408 PolarHBondContact O-N 3.5Å; E406-L409 WeakPolarHBondContact O-CB 3.35Å; E406-L409 PolarHBondContact O-N 3.32Å; E406-L409 VanDerWaalsContact O-N 3.13Å; E406-Q410 PolarHBondContact O-N 3.41Å; E406-L448 HydrophobicContact CB-CD1 4.27Å; E406-P449 VanDerWaalsContact OE1-CD 3.27Å; E406-P449 WeakPolarHBondContact OE1-CD 3.45Å; E406-T450 PolarHBondContact OE1-N 2.86Å; E406-T450 PolarHBondContact OE1-OG1 3.49Å
407	R	95.3	Very high	94.7	Very high	114 Å²	114	31.3 Å²	31.3	43%	0.43	15%	0.152	S	C	.	.	H	α-helix	trans	-61.8	-38.8	178.8	-175.8	177.3	176.7	167.7	-1.8	112.7	L373 D374 N405 Q410 A411	L373-R407 HydrophobicContact CD2-CG 4.2Å; D374-R407 IonicContact OD1-CZ 3.76Å; D374-R407 IonicContact OD1-NH2 2.72Å; D374-R407 PolarHBondContact OD1-NH2 3.45Å; D374-R407 IonicContact OD2-CZ 3.11Å; D374-R407 IonicContact OD2-NH2 3.24Å; D374-R407 PolarHBondContact OD2-NH2 3Å; N405-R407 PolarHBondContact O-N 2.68Å; N405-R407 PolarHBondContact OD1-N 3.11Å; R407-Q410 PolarHBondContact O-N 3.1Å; R407-A411 WeakPolarHBondContact O-CB 3.25Å; R407-A411 PolarHBondContact O-N 2.73Å
408	M	96.1	Very high	94.5	Very high	9 Å²	9	33 Å²	33	4%	0.044	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-41.9	175.1	-176.3	-178.8	-76.3	0	0	111.1	Q368 L373 C398 A401 P404 N405 E406 A411 L412 I436	Q368-M408 HydrophobicContact CG-CE 4.19Å; L373-M408 HydrophobicContact CD2-CB 4.47Å; C398-M408 HydrophobicContact CB-SD 4.18Å; A401-M408 HydrophobicContact CB-CE 4.28Å; A401-M408 HydrophobicContact CB-SD 4.06Å; P404-M408 HydrophobicContact CB-SD 4.12Å; N405-M408 PolarHBondContact O-N 3.4Å; N405-M408 PolarHBondContact OD1-N 2.94Å; E406-M408 VanDerWaalsContact C-N 3.33Å; E406-M408 PolarHBondContact O-N 3.5Å; M408-A411 PolarHBondContact O-N 2.82Å; M408-L412 PolarHBondContact O-N 2.84Å; M408-I436 HydrophobicContact CG-CD1 4.07Å; M408-I436 HydrophobicContact SD-CD1 4.06Å
409	L	97.3	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-44	175.4	-174.1	61.1	0	0	0	111.1	N405 E406 A411 L412 V413 M433 I436 V437 L440 T450 V451 V454	N405-L409 PolarHBondContact O-N 2.85Å; E406-L409 WeakPolarHBondContact O-CB 3.35Å; E406-L409 PolarHBondContact O-N 3.32Å; E406-L409 VanDerWaalsContact O-N 3.13Å; L409-A411 VanDerWaalsContact C-N 3.31Å; L409-A411 PolarHBondContact O-N 3.11Å; L409-L412 PolarHBondContact O-N 3.29Å; L409-L412 VanDerWaalsContact O-N 3.11Å; L409-V413 WeakPolarHBondContact O-CG2 3.26Å; L409-V413 PolarHBondContact O-N 3.17Å; L409-M433 HydrophobicContact CD1-CB 4.25Å; L409-M433 HydrophobicContact CD1-CG 4.18Å; L409-I436 HydrophobicContact CB-CG2 3.95Å; L409-I436 HydrophobicContact CD1-CB 4.14Å; L409-I436 HydrophobicContact CD1-CG2 3.96Å; L409-I436 HydrophobicContact CG-CG2 4.38Å; L409-V437 HydrophobicContact CD1-CG2 4.44Å; L409-V437 HydrophobicContact CD2-CG2 4.11Å; L409-L440 HydrophobicContact CB-CD1 4.28Å; L409-L440 HydrophobicContact CD2-CD1 4Å; L409-T450 HydrophobicContact CB-CG2 4.18Å; L409-T450 HydrophobicContact CD2-CG2 3.97Å; L409-T450 HydrophobicContact CG-CG2 3.81Å; L409-V451 HydrophobicContact CD2-CB 4.4Å; L409-V451 HydrophobicContact CD2-CG2 3.74Å; L409-V454 HydrophobicContact CD1-CG1 4.47Å; L409-V454 HydrophobicContact CD1-CG2 4.05Å; L409-V454 HydrophobicContact CD2-CB 4.44Å; L409-V454 HydrophobicContact CD2-CG2 4.12Å; L409-V454 HydrophobicContact CG-CG2 4.06Å
410	Q	97.2	Very high	94.4	Very high	55 Å²	55	42.9 Å²	42.9	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-42.7	177.5	-173.5	61.8	51.1	0	0	111.5	E406 R407 L412 V413 D414 T450	E406-Q410 PolarHBondContact O-N 3.41Å; R407-Q410 PolarHBondContact O-N 3.1Å; Q410-L412 VanDerWaalsContact C-N 3.29Å; Q410-L412 PolarHBondContact O-N 3.03Å; Q410-V413 WeakPolarHBondContact O-CA 3.38Å; Q410-V413 WeakPolarHBondContact O-CB 3.35Å; Q410-V413 PolarHBondContact O-N 3.47Å; Q410-D414 PolarHBondContact NE2-OD1 2.78Å; Q410-D414 PolarHBondContact O-N 3.19Å; Q410-T450 HydrophobicContact CB-CG2 4.08Å; Q410-T450 VanDerWaalsContact OE1-CG2 3.27Å; Q410-T450 PolarHBondContact OE1-OG1 3.27Å
411	A	96.8	Very high	94.2	Very high	7 Å²	7	43.5 Å²	43.5	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-39.8	176	0	0	0	0	0	112.3	L373 L377 R407 M408 L409 D414 I415	L373-A411 HydrophobicContact CD2-CB 4.33Å; L377-A411 HydrophobicContact CD1-CB 3.83Å; L377-A411 HydrophobicContact CD2-CB 4.24Å; R407-A411 WeakPolarHBondContact O-CB 3.25Å; R407-A411 PolarHBondContact O-N 2.73Å; M408-A411 PolarHBondContact O-N 2.82Å; L409-A411 VanDerWaalsContact C-N 3.31Å; L409-A411 PolarHBondContact O-N 3.11Å; A411-D414 PolarHBondContact O-N 3.1Å; A411-I415 WeakPolarHBondContact O-CD1 3.32Å; A411-I415 VanDerWaalsContact O-CG1 3.25Å; A411-I415 WeakPolarHBondContact O-CG1 3.21Å; A411-I415 PolarHBondContact O-N 3.42Å
412	L	97.1	Very high	94.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-38.3	174	-63.2	-170.1	0	0	0	111.8	F394 L395 M408 L409 Q410 D414 I415 S416 I432 M433 I436	F394-L412 HydrophobicContact CE1-CD2 4.08Å; L395-L412 HydrophobicContact CD2-CD2 3.75Å; M408-L412 PolarHBondContact O-N 2.84Å; L409-L412 PolarHBondContact O-N 3.29Å; L409-L412 VanDerWaalsContact O-N 3.11Å; Q410-L412 VanDerWaalsContact C-N 3.29Å; Q410-L412 PolarHBondContact O-N 3.03Å; L412-D414 VanDerWaalsContact C-N 3.32Å; L412-D414 PolarHBondContact O-N 2.95Å; L412-I415 HydrophobicContact CD2-CD1 4.14Å; L412-I415 PolarHBondContact O-N 3.3Å; L412-S416 WeakPolarHBondContact O-CB 3.47Å; L412-S416 PolarHBondContact O-N 3.38Å; L412-I432 HydrophobicContact CD1-CG2 3.88Å; L412-M433 HydrophobicContact CB-CE 3.71Å; L412-M433 HydrophobicContact CB-CG 3.98Å; L412-M433 HydrophobicContact CD1-CG 4.16Å; L412-M433 WeakPolarHBondContact O-CE 3.43Å; L412-I436 HydrophobicContact CD1-CD1 3.58Å
413	V	97.1	Very high	94	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-46	175.9	172.3	0	0	0	0	110.1	L409 Q410 I415 S416 K417 M433 T450 V454	L409-V413 WeakPolarHBondContact O-CG2 3.26Å; L409-V413 PolarHBondContact O-N 3.17Å; Q410-V413 WeakPolarHBondContact O-CA 3.38Å; Q410-V413 WeakPolarHBondContact O-CB 3.35Å; Q410-V413 PolarHBondContact O-N 3.47Å; V413-I415 VanDerWaalsContact C-N 3.34Å; V413-I415 PolarHBondContact O-N 2.69Å; V413-S416 PolarHBondContact O-N 3.08Å; V413-S416 VanDerWaalsContact O-N 3.15Å; V413-S416 PolarHBondContact O-OG 3.48Å; V413-K417 HydrophobicContact CG1-CD 4.04Å; V413-K417 WeakPolarHBondContact O-CG 3.44Å; V413-K417 PolarHBondContact O-N 3.45Å; V413-M433 VanDerWaalsContact CA-CE 3.46Å; V413-M433 HydrophobicContact CB-CE 4.4Å; V413-M433 HydrophobicContact CG2-CE 4.04Å; V413-M433 VanDerWaalsContact N-CE 3.31Å; V413-T450 HydrophobicContact CG2-CG2 4.08Å; V413-V454 HydrophobicContact CG2-CG2 3.35Å
414	D	96.4	Very high	94	Very high	90 Å²	90	50.7 Å²	50.7	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-40.2	178.8	-59.8	-20.6	0	0	0	111.4	Q410 A411 L412 K417 G418	Q410-D414 PolarHBondContact NE2-OD1 2.78Å; Q410-D414 PolarHBondContact O-N 3.19Å; A411-D414 PolarHBondContact O-N 3.1Å; L412-D414 VanDerWaalsContact C-N 3.32Å; L412-D414 PolarHBondContact O-N 2.95Å; D414-K417 PolarHBondContact O-N 3.3Å; D414-G418 PolarHBondContact O-N 2.8Å
415	I	95.6	Very high	94	Very high	19 Å²	19	50.3 Å²	50.3	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-44.2	172.8	-69.1	162.1	0	0	0	111	L377 F382 F394 A411 L412 V413 K417 G418 I420 V429	L377-I415 HydrophobicContact CD2-CD1 3.81Å; L377-I415 HydrophobicContact CD2-CG1 4.47Å; F382-I415 HydrophobicContact CB-CG2 4.37Å; F382-I415 HydrophobicContact CD1-CG2 3.67Å; F382-I415 HydrophobicContact CD2-CD1 4.24Å; F382-I415 HydrophobicContact CD2-CG1 4.19Å; F382-I415 HydrophobicContact CD2-CG2 4.15Å; F382-I415 HydrophobicContact CE1-CD1 4.39Å; F382-I415 HydrophobicContact CE1-CG2 3.94Å; F382-I415 HydrophobicContact CE2-CD1 3.64Å; F382-I415 HydrophobicContact CE2-CG1 4.09Å; F382-I415 HydrophobicContact CE2-CG2 4.39Å; F382-I415 HydrophobicContact CG-CG2 3.79Å; F382-I415 HydrophobicContact CZ-CD1 3.73Å; F382-I415 HydrophobicContact CZ-CG1 4.47Å; F382-I415 HydrophobicContact CZ-CG2 4.29Å; F394-I415 HydrophobicContact CE1-CD1 4.13Å; A411-I415 WeakPolarHBondContact O-CD1 3.32Å; A411-I415 VanDerWaalsContact O-CG1 3.25Å; A411-I415 WeakPolarHBondContact O-CG1 3.21Å; A411-I415 PolarHBondContact O-N 3.42Å; L412-I415 HydrophobicContact CD2-CD1 4.14Å; L412-I415 PolarHBondContact O-N 3.3Å; V413-I415 VanDerWaalsContact C-N 3.34Å; V413-I415 PolarHBondContact O-N 2.69Å; I415-K417 VanDerWaalsContact C-N 3.32Å; I415-K417 PolarHBondContact O-N 3.21Å; I415-G418 PolarHBondContact O-N 3.4Å; I415-G418 VanDerWaalsContact O-N 3.12Å; I415-I420 HydrophobicContact CG2-CD1 4.28Å; I415-V429 HydrophobicContact CG2-CG2 4.03Å
416	S	94.4	Very high	94.2	Very high	31 Å²	31	51.3 Å²	51.3	22%	0.217	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-32.9	-178.4	76	0	0	0	0	113.5	L412 V413 G418	L412-S416 WeakPolarHBondContact O-CB 3.47Å; L412-S416 PolarHBondContact O-N 3.38Å; V413-S416 PolarHBondContact O-N 3.08Å; V413-S416 VanDerWaalsContact O-N 3.15Å; V413-S416 PolarHBondContact O-OG 3.48Å; S416-G418 VanDerWaalsContact C-N 3.33Å
417	K	93.4	Very high	94.1	Very high	127 Å²	127	50.1 Å²	50.1	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-78.5	-20.7	175	-69.5	173.9	-179.6	170.8	0	112.1	V413 D414 I415 E453	V413-K417 HydrophobicContact CG1-CD 4.04Å; V413-K417 WeakPolarHBondContact O-CG 3.44Å; V413-K417 PolarHBondContact O-N 3.45Å; D414-K417 PolarHBondContact O-N 3.3Å; I415-K417 VanDerWaalsContact C-N 3.32Å; I415-K417 PolarHBondContact O-N 3.21Å; K417-E453 WeakPolarHBondContact CE-OE1 3.17Å; K417-E453 IonicContact NZ-OE1 2.91Å; K417-E453 PolarHBondContact NZ-OE1 2.97Å
418	G	92.3	Very high	94.1	Very high	44 Å²	44	44.8 Å²	44.8	45%	0.454	24%	0.237	S	C	.	.	S	Bend	trans	-78	-174.6	177.2	0	0	0	0	0	114	D414 I415 S416	D414-G418 PolarHBondContact O-N 2.8Å; I415-G418 PolarHBondContact O-N 3.4Å; I415-G418 VanDerWaalsContact O-N 3.12Å; S416-G418 VanDerWaalsContact C-N 3.33Å
419	K	92.2	Very high	94.1	Very high	174 Å²	174	44.3 Å²	44.3	76%	0.757	23%	0.234	S	C	*	.			trans	-84.5	116.9	176.1	-174.7	176.4	-179.6	178.7	0	110.3	F382 A383	F382-K419 CarbonylContact C-O 3.58Å; A383-K419 HydrophobicContact CB-CB 4.46Å; A383-K419 HydrophobicContact CB-CD 4.4Å; A383-K419 HydrophobicContact CB-CG 4.32Å; A383-K419 PolarHBondContact N-O 2.89Å
420	I	93.4	Very high	94.1	Very high	34 Å²	34	44.6 Å²	44.6	17%	0.174	24%	0.236	C	C	.	.			trans	-106.8	124.6	174	-55	178.4	0	0	0	109	F382 I415 S422 I425 K426 V429	F382-I420 WeakPolarHBondContact O-CA 3.27Å; I415-I420 HydrophobicContact CG2-CD1 4.28Å; I420-S422 VanDerWaalsContact CG2-O 3.22Å; I420-S422 WeakPolarHBondContact CG2-O 3.38Å; I420-I425 HydrophobicContact CG2-CB 3.94Å; I420-I425 HydrophobicContact CG2-CG2 3.8Å; I420-K426 HydrophobicContact CD1-CB 4.07Å; I420-K426 HydrophobicContact CD1-CG 4.24Å; I420-K426 HydrophobicContact CG2-CB 4.34Å; I420-V429 HydrophobicContact CD1-CG2 4.32Å
421	G	89.4	Confident	94.1	Very high	38 Å²	38	42 Å²	42	39%	0.392	22%	0.224	S	C	.	.	S	Bend	trans	-75.5	-20.8	-176.3	0	0	0	0	0	114.5	F382	F382-G421 PolarHBondContact O-N 2.73Å
422	S	91.4	Very high	94.1	Very high	19 Å²	19	41.8 Å²	41.8	13%	0.133	22%	0.222	C	C	.	.			trans	-125.6	133.2	-178.2	178.2	0	0	0	0	111.9	I420 D424 I425 K426	I420-S422 VanDerWaalsContact CG2-O 3.22Å; I420-S422 WeakPolarHBondContact CG2-O 3.38Å; S422-D424 VanDerWaalsContact C-N 3.33Å; S422-D424 WeakPolarHBondContact OG-CB 3.31Å; S422-D424 PolarHBondContact OG-N 2.8Å; S422-I425 PolarHBondContact O-N 2.78Å; S422-K426 PolarHBondContact O-N 2.83Å; S422-K426 VanDerWaalsContact O-N 3.16Å
423	K	89.7	Confident	94.2	Very high	105 Å²	105	41.7 Å²	41.7	46%	0.457	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-40	177.2	-174.1	177.4	176.3	179.9	0	111.8	I425 K426 E427 S469	K423-I425 PolarHBondContact O-N 2.82Å; K423-K426 WeakPolarHBondContact O-CA 3.44Å; K423-K426 VanDerWaalsContact O-CB 3.29Å; K423-K426 WeakPolarHBondContact O-CB 3.23Å; K423-K426 PolarHBondContact O-N 2.81Å; K423-E427 WeakPolarHBondContact O-CG 3.38Å; K423-E427 PolarHBondContact O-N 3.36Å; K423-S469 WeakPolarHBondContact CE-OG 3.42Å; K423-S469 PolarHBondContact NZ-OG 3.15Å
424	D	90.1	Very high	94.2	Very high	64 Å²	64	41.7 Å²	41.7	34%	0.342	22%	0.221	S	C	.	.	H	α-helix	trans	-52.6	-42.5	174	-70.6	15.9	0	0	0	112.8	S422 E427 S428 R703	S422-D424 VanDerWaalsContact C-N 3.33Å; S422-D424 WeakPolarHBondContact OG-CB 3.31Å; S422-D424 PolarHBondContact OG-N 2.8Å; D424-E427 PolarHBondContact O-N 3.09Å; D424-S428 PolarHBondContact O-N 3.44Å; D424-S428 PolarHBondContact O-OG 3.31Å; D424-R703 IonicContact OD1-NH1 3.65Å; D424-R703 IonicContact OD2-CZ 2.68Å; D424-R703 IonicContact OD2-NH1 3.78Å; D424-R703 PolarHBondContact OD2-NH1 3.23Å
425	I	93.7	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-73.2	-37.4	178.8	-64	-63.9	0	0	0	110.6	F382 L388 Q391 E392 L395 I420 S422 K423 E427 S428 V429	F382-I425 HydrophobicContact CD1-CG2 3.85Å; F382-I425 HydrophobicContact CE1-CG2 4.14Å; L388-I425 HydrophobicContact CG-CD1 4.16Å; L388-I425 HydrophobicContact CG-CG1 4.23Å; Q391-I425 HydrophobicContact CB-CD1 3.84Å; Q391-I425 HydrophobicContact CB-CG1 4.38Å; Q391-I425 HydrophobicContact CB-CG2 4.32Å; E392-I425 HydrophobicContact CB-CD1 4.02Å; L395-I425 HydrophobicContact CD1-CG2 4.03Å; I420-I425 HydrophobicContact CG2-CB 3.94Å; I420-I425 HydrophobicContact CG2-CG2 3.8Å; S422-I425 PolarHBondContact O-N 2.78Å; K423-I425 PolarHBondContact O-N 2.82Å; I425-E427 VanDerWaalsContact C-N 3.29Å; I425-E427 PolarHBondContact O-N 2.96Å; I425-S428 PolarHBondContact O-N 3.39Å; I425-V429 HydrophobicContact CG2-CG2 4.47Å; I425-V429 VanDerWaalsContact O-CG2 3.25Å; I425-V429 WeakPolarHBondContact O-CG2 3.38Å; I425-V429 PolarHBondContact O-N 2.92Å
426	K	93.9	Very high	94.2	Very high	87 Å²	87	36.7 Å²	36.7	38%	0.378	20%	0.195	S	C	.	.	H	α-helix	trans	-58.5	-44	172.3	-174.8	-172.5	177.6	-166.4	0	110.7	I420 S422 K423 V429 V430	I420-K426 HydrophobicContact CD1-CB 4.07Å; I420-K426 HydrophobicContact CD1-CG 4.24Å; I420-K426 HydrophobicContact CG2-CB 4.34Å; S422-K426 PolarHBondContact O-N 2.83Å; S422-K426 VanDerWaalsContact O-N 3.16Å; K423-K426 WeakPolarHBondContact O-CA 3.44Å; K423-K426 VanDerWaalsContact O-CB 3.29Å; K423-K426 WeakPolarHBondContact O-CB 3.23Å; K423-K426 PolarHBondContact O-N 2.81Å; K426-V429 PolarHBondContact O-N 2.87Å; K426-V430 PolarHBondContact O-N 3.12Å
427	E	93.5	Very high	94.3	Very high	35 Å²	35	35.2 Å²	35.2	16%	0.164	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-49.3	176.1	-67.6	177.1	-172.3	0	0	111.7	K423 D424 I425 V429 V430 I431 M473	K423-E427 WeakPolarHBondContact O-CG 3.38Å; K423-E427 PolarHBondContact O-N 3.36Å; D424-E427 PolarHBondContact O-N 3.09Å; I425-E427 VanDerWaalsContact C-N 3.29Å; I425-E427 PolarHBondContact O-N 2.96Å; E427-V429 VanDerWaalsContact C-N 3.32Å; E427-V429 PolarHBondContact O-N 3.22Å; E427-V430 PolarHBondContact O-N 2.99Å; E427-I431 VanDerWaalsContact O-CG1 3.27Å; E427-I431 WeakPolarHBondContact O-CG1 3.37Å; E427-I431 PolarHBondContact O-N 3.06Å; E427-M473 HydrophobicContact CB-CG 4.18Å; E427-M473 HydrophobicContact CB-SD 4.39Å; E427-M473 HydrophobicContact CG-CB 4.13Å; E427-M473 HydrophobicContact CG-CG 4.13Å; E427-M473 HydrophobicContact CG-SD 4.09Å
428	S	94.9	Very high	94.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-39.7	177.5	-68.3	0	0	0	0	112.8	D424 I425 V430 I431 I432	D424-S428 PolarHBondContact O-N 3.44Å; D424-S428 PolarHBondContact O-OG 3.31Å; I425-S428 PolarHBondContact O-N 3.39Å; S428-V430 PolarHBondContact O-N 3.02Å; S428-I431 PolarHBondContact O-N 2.76Å; S428-I432 WeakPolarHBondContact O-CB 3.04Å; S428-I432 VanDerWaalsContact O-CG1 3.24Å; S428-I432 WeakPolarHBondContact O-CG1 2.94Å; S428-I432 PolarHBondContact O-N 2.79Å
429	V	97	Very high	94.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.1	-50.4	176.8	168.5	0	0	0	0	110.7	L395 I415 I420 I425 K426 E427 I432 M433	L395-V429 HydrophobicContact CD1-CG2 3.71Å; L395-V429 HydrophobicContact CD2-CG2 3.72Å; L395-V429 HydrophobicContact CG-CG2 4.38Å; I415-V429 HydrophobicContact CG2-CG2 4.03Å; I420-V429 HydrophobicContact CD1-CG2 4.32Å; I425-V429 HydrophobicContact CG2-CG2 4.47Å; I425-V429 VanDerWaalsContact O-CG2 3.25Å; I425-V429 WeakPolarHBondContact O-CG2 3.38Å; I425-V429 PolarHBondContact O-N 2.92Å; K426-V429 PolarHBondContact O-N 2.87Å; E427-V429 VanDerWaalsContact C-N 3.32Å; E427-V429 PolarHBondContact O-N 3.22Å; V429-I432 PolarHBondContact O-N 2.8Å; V429-M433 HydrophobicContact CG1-CE 3.68Å; V429-M433 HydrophobicContact CG1-SD 4.4Å; V429-M433 VanDerWaalsContact O-CG 3.31Å; V429-M433 WeakPolarHBondContact O-CG 3.41Å; V429-M433 PolarHBondContact O-N 2.94Å
430	V	97.1	Very high	94.5	Very high	6 Å²	6	21 Å²	21	4%	0.036	11%	0.112	C	C	.	.	H	α-helix	trans	-69.7	-39.5	-176.8	-179.3	0	0	0	0	111.4	K426 E427 S428 I432 M433 G434 I458 M473 Y474 A477	K426-V430 PolarHBondContact O-N 3.12Å; E427-V430 PolarHBondContact O-N 2.99Å; S428-V430 PolarHBondContact O-N 3.02Å; V430-I432 VanDerWaalsContact C-N 3.33Å; V430-I432 PolarHBondContact O-N 3.26Å; V430-M433 WeakPolarHBondContact O-CB 3.36Å; V430-M433 PolarHBondContact O-N 2.92Å; V430-G434 PolarHBondContact O-N 2.78Å; V430-I458 HydrophobicContact CG1-CG2 4.36Å; V430-M473 HydrophobicContact CB-CE 4.36Å; V430-M473 HydrophobicContact CB-CG 3.81Å; V430-M473 HydrophobicContact CB-SD 3.81Å; V430-M473 HydrophobicContact CG1-CE 4.27Å; V430-M473 HydrophobicContact CG1-CG 4.02Å; V430-M473 HydrophobicContact CG1-SD 4.29Å; V430-M473 HydrophobicContact CG2-CE 4.06Å; V430-M473 HydrophobicContact CG2-CG 4.37Å; V430-M473 HydrophobicContact CG2-SD 3.69Å; V430-Y474 HydrophobicContact CG1-CD1 3.99Å; V430-Y474 HydrophobicContact CG1-CE1 4.11Å; V430-A477 HydrophobicContact CG1-CB 3.83Å; V430-A477 VanDerWaalsContact O-CB 3.22Å; V430-A477 WeakPolarHBondContact O-CB 3.48Å
431	I	96.9	Very high	94.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-61	-42	176.3	-68.9	170.1	0	0	0	111.4	E427 S428 G434 A435 L476 N480 Q701 R703	E427-I431 VanDerWaalsContact O-CG1 3.27Å; E427-I431 WeakPolarHBondContact O-CG1 3.37Å; E427-I431 PolarHBondContact O-N 3.06Å; S428-I431 PolarHBondContact O-N 2.76Å; I431-G434 PolarHBondContact O-N 2.76Å; I431-A435 PolarHBondContact O-N 2.78Å; I431-L476 HydrophobicContact CD1-CB 3.99Å; I431-L476 HydrophobicContact CD1-CD1 3.86Å; I431-L476 HydrophobicContact CG1-CB 3.83Å; I431-N480 WeakPolarHBondContact CG2-ND2 3.28Å; I431-N480 PolarHBondContact O-ND2 3.31Å; I431-Q701 VanDerWaalsContact CG2-O 3.24Å; I431-Q701 WeakPolarHBondContact CG2-O 3.46Å; I431-R703 HydrophobicContact CD1-CB 4.15Å; I431-R703 HydrophobicContact CD1-CG 4.48Å
432	I	97.4	Very high	94.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-74.3	-33.8	179.9	-66.6	-50.4	0	0	0	112.3	L395 Y396 C398 L412 S428 V429 V430 G434 A435 I436 V700	L395-I432 HydrophobicContact CB-CG1 4.33Å; L395-I432 WeakPolarHBondContact O-CG2 3.45Å; Y396-I432 HydrophobicContact CD1-CD1 4.27Å; C398-I432 HydrophobicContact CB-CG2 4.12Å; L412-I432 HydrophobicContact CD1-CG2 3.88Å; S428-I432 WeakPolarHBondContact O-CB 3.04Å; S428-I432 VanDerWaalsContact O-CG1 3.24Å; S428-I432 WeakPolarHBondContact O-CG1 2.94Å; S428-I432 PolarHBondContact O-N 2.79Å; V429-I432 PolarHBondContact O-N 2.8Å; V430-I432 VanDerWaalsContact C-N 3.33Å; V430-I432 PolarHBondContact O-N 3.26Å; I432-G434 PolarHBondContact O-N 2.89Å; I432-A435 WeakPolarHBondContact O-CB 3.47Å; I432-A435 PolarHBondContact O-N 3.35Å; I432-I436 HydrophobicContact CG2-CD1 4.24Å; I432-I436 HydrophobicContact CG2-CG1 4.44Å; I432-I436 PolarHBondContact O-N 2.95Å; I432-V700 HydrophobicContact CD1-CG1 4.02Å
433	M	97.9	Very high	94.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-54.2	-43.6	169.7	-75.8	172.6	174.9	0	0	111.5	L409 L412 V413 V429 V430 A435 I436 V437 V454	L409-M433 HydrophobicContact CD1-CB 4.25Å; L409-M433 HydrophobicContact CD1-CG 4.18Å; L412-M433 HydrophobicContact CB-CE 3.71Å; L412-M433 HydrophobicContact CB-CG 3.98Å; L412-M433 HydrophobicContact CD1-CG 4.16Å; L412-M433 WeakPolarHBondContact O-CE 3.43Å; V413-M433 VanDerWaalsContact CA-CE 3.46Å; V413-M433 HydrophobicContact CB-CE 4.4Å; V413-M433 HydrophobicContact CG2-CE 4.04Å; V413-M433 VanDerWaalsContact N-CE 3.31Å; V429-M433 HydrophobicContact CG1-CE 3.68Å; V429-M433 HydrophobicContact CG1-SD 4.4Å; V429-M433 VanDerWaalsContact O-CG 3.31Å; V429-M433 WeakPolarHBondContact O-CG 3.41Å; V429-M433 PolarHBondContact O-N 2.94Å; V430-M433 WeakPolarHBondContact O-CB 3.36Å; V430-M433 PolarHBondContact O-N 2.92Å; M433-A435 VanDerWaalsContact C-N 3.31Å; M433-A435 PolarHBondContact O-N 3.44Å; M433-I436 PolarHBondContact O-N 3.17Å; M433-V437 WeakPolarHBondContact O-CG2 3.49Å; M433-V437 PolarHBondContact O-N 3.38Å; M433-V454 HydrophobicContact CB-CG1 3.95Å; M433-V454 HydrophobicContact SD-CG1 4.43Å
434	G	97.1	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.5	-45	174.3	0	0	0	0	0	112.5	V430 I431 I432 I436 V437 H438 A477 S481	V430-G434 PolarHBondContact O-N 2.78Å; I431-G434 PolarHBondContact O-N 2.76Å; I432-G434 PolarHBondContact O-N 2.89Å; G434-I436 PolarHBondContact O-N 2.89Å; G434-V437 PolarHBondContact O-N 2.76Å; G434-H438 PolarHBondContact O-N 3.07Å; G434-H438 VanDerWaalsContact O-N 3.08Å; G434-A477 WeakPolarHBondContact CA-O 3.47Å; G434-S481 WeakPolarHBondContact O-CA 3.48Å; G434-S481 PolarHBondContact O-N 2.75Å
435	A	95.9	Very high	94.2	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-39.5	178.8	0	0	0	0	0	112.2	I431 I432 M433 H438 K439 N480 V700	I431-A435 PolarHBondContact O-N 2.78Å; I432-A435 WeakPolarHBondContact O-CB 3.47Å; I432-A435 PolarHBondContact O-N 3.35Å; M433-A435 VanDerWaalsContact C-N 3.31Å; M433-A435 PolarHBondContact O-N 3.44Å; A435-H438 WeakPolarHBondContact O-CB 3.38Å; A435-H438 PolarHBondContact O-N 2.92Å; A435-K439 VanDerWaalsContact O-CG 3.27Å; A435-K439 WeakPolarHBondContact O-CG 3.39Å; A435-K439 PolarHBondContact O-N 3.16Å; A435-N480 HydrophobicContact CB-CB 4.14Å; A435-V700 HydrophobicContact CB-CG1 4.11Å; A435-V700 HydrophobicContact CB-CG2 4.47Å
436	I	96.6	Very high	94.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.4	-40.5	177.3	-65.1	178.2	0	0	0	111.3	C398 P404 M408 L409 L412 I432 M433 G434 H438 K439 L440	C398-I436 HydrophobicContact CB-CD1 4.41Å; P404-I436 HydrophobicContact CB-CG2 4.05Å; M408-I436 HydrophobicContact CG-CD1 4.07Å; M408-I436 HydrophobicContact SD-CD1 4.06Å; L409-I436 HydrophobicContact CB-CG2 3.95Å; L409-I436 HydrophobicContact CD1-CB 4.14Å; L409-I436 HydrophobicContact CD1-CG2 3.96Å; L409-I436 HydrophobicContact CG-CG2 4.38Å; L412-I436 HydrophobicContact CD1-CD1 3.58Å; I432-I436 HydrophobicContact CG2-CD1 4.24Å; I432-I436 HydrophobicContact CG2-CG1 4.44Å; I432-I436 PolarHBondContact O-N 2.95Å; M433-I436 PolarHBondContact O-N 3.17Å; G434-I436 PolarHBondContact O-N 2.89Å; I436-H438 VanDerWaalsContact C-N 3.31Å; I436-H438 PolarHBondContact O-N 3.48Å; I436-K439 PolarHBondContact O-N 3.27Å; I436-L440 HydrophobicContact CG2-CD1 3.75Å; I436-L440 HydrophobicContact CG2-CG 4.13Å; I436-L440 WeakPolarHBondContact O-CG 3.42Å; I436-L440 PolarHBondContact O-N 3.37Å
437	V	97.2	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.8	-47	174.6	165.8	0	0	0	0	110.5	L409 M433 G434 K439 L440 C441 V451 V454 K455 L483	L409-V437 HydrophobicContact CD1-CG2 4.44Å; L409-V437 HydrophobicContact CD2-CG2 4.11Å; M433-V437 WeakPolarHBondContact O-CG2 3.49Å; M433-V437 PolarHBondContact O-N 3.38Å; G434-V437 PolarHBondContact O-N 2.76Å; V437-K439 VanDerWaalsContact C-N 3.34Å; V437-K439 PolarHBondContact O-N 3.47Å; V437-L440 PolarHBondContact O-N 2.82Å; V437-C441 WeakPolarHBondContact O-CB 3.46Å; V437-C441 PolarHBondContact O-N 2.63Å; V437-C441 PolarHBondContact O-SG 3.03Å; V437-V451 HydrophobicContact CG1-CG1 4.17Å; V437-V451 HydrophobicContact CG2-CG1 4.45Å; V437-V454 HydrophobicContact CG2-CB 4.03Å; V437-V454 HydrophobicContact CG2-CG1 3.61Å; V437-K455 HydrophobicContact CG1-CG 4.09Å; V437-L483 HydrophobicContact CG1-CD1 4.43Å; V437-L483 HydrophobicContact CG1-CD2 4.16Å
438	H	94.8	Very high	94.3	Very high	32 Å²	32	29 Å²	29	15%	0.148	17%	0.165	C	C	.	.	H	α-helix	trans	-54.7	-50.4	176.5	-175	62.8	0	0	0	111.9	G434 A435 I436 L440 C441 Q442 N480 S481	G434-H438 PolarHBondContact O-N 3.07Å; G434-H438 VanDerWaalsContact O-N 3.08Å; A435-H438 WeakPolarHBondContact O-CB 3.38Å; A435-H438 PolarHBondContact O-N 2.92Å; I436-H438 VanDerWaalsContact C-N 3.31Å; I436-H438 PolarHBondContact O-N 3.48Å; H438-L440 PolarHBondContact O-N 3.28Å; H438-C441 PolarHBondContact O-N 2.81Å; H438-Q442 PolarHBondContact CE1-NE2 3.41Å; H438-Q442 VanDerWaalsContact CE1-NE2 3.29Å; H438-Q442 PolarHBondContact NE2-NE2 3.31Å; H438-Q442 WeakPolarHBondContact O-CG 3.47Å; H438-Q442 PolarHBondContact O-N 3.14Å; H438-N480 VanDerWaalsContact CB-O 3.32Å; H438-N480 WeakPolarHBondContact CB-O 3.43Å; H438-S481 WeakPolarHBondContact CB-O 3.32Å; H438-S481 PolarHBondContact ND1-O 3.08Å; H438-S481 VanDerWaalsContact ND1-O 3.08Å
439	K	93	Very high	94.4	Very high	5 Å²	5	33.6 Å²	33.6	2%	0.022	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-41	-179.2	-67	179.1	178.4	-162.3	0	113	Y205 G399 A401 P404 A435 I436 V437 K443	Y205-K439 HydrophobicContact CD1-CB 4.43Å; Y205-K439 HydrophobicContact CD1-CD 4.33Å; Y205-K439 HydrophobicContact CD1-CG 4.02Å; Y205-K439 HydrophobicContact CE1-CB 4.29Å; Y205-K439 HydrophobicContact CE1-CD 3.55Å; Y205-K439 VanDerWaalsContact CE1-CE 3.44Å; Y205-K439 HydrophobicContact CE1-CG 3.41Å; Y205-K439 VanDerWaalsContact CE1-CG 3.41Å; Y205-K439 HydrophobicContact CE2-CG 4.39Å; Y205-K439 WeakPolarHBondContact OH-CE 3.46Å; G399-K439 WeakPolarHBondContact O-CE 3.49Å; G399-K439 PolarHBondContact O-NZ 2.87Å; A401-K439 PolarHBondContact O-NZ 3.48Å; P404-K439 HydrophobicContact CG-CB 3.66Å; P404-K439 HydrophobicContact CG-CD 3.79Å; P404-K439 HydrophobicContact CG-CG 4.38Å; A435-K439 VanDerWaalsContact O-CG 3.27Å; A435-K439 WeakPolarHBondContact O-CG 3.39Å; A435-K439 PolarHBondContact O-N 3.16Å; I436-K439 PolarHBondContact O-N 3.27Å; V437-K439 VanDerWaalsContact C-N 3.34Å; V437-K439 PolarHBondContact O-N 3.47Å; K439-K443 WeakPolarHBondContact O-CG 3.37Å; K439-K443 PolarHBondContact O-N 3.3Å
440	L	94.2	Very high	94.4	Very high	9 Å²	9	34 Å²	34	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-70.3	-40.7	178.5	-71	174.9	0	0	0	111.4	P404 L409 I436 V437 H438 Q442 K443 G444 G445 V451	P404-L440 WeakPolarHBondContact O-CD2 3.27Å; L409-L440 HydrophobicContact CB-CD1 4.28Å; L409-L440 HydrophobicContact CD2-CD1 4Å; I436-L440 HydrophobicContact CG2-CD1 3.75Å; I436-L440 HydrophobicContact CG2-CG 4.13Å; I436-L440 WeakPolarHBondContact O-CG 3.42Å; I436-L440 PolarHBondContact O-N 3.37Å; V437-L440 PolarHBondContact O-N 2.82Å; H438-L440 PolarHBondContact O-N 3.28Å; L440-Q442 PolarHBondContact O-N 2.98Å; L440-K443 PolarHBondContact O-N 3.27Å; L440-K443 VanDerWaalsContact O-N 3.15Å; L440-G444 PolarHBondContact O-N 3.09Å; L440-G445 WeakPolarHBondContact O-CA 3.39Å; L440-G445 PolarHBondContact O-N 3.42Å; L440-V451 HydrophobicContact CB-CG2 4.06Å; L440-V451 HydrophobicContact CD1-CG2 3.6Å; L440-V451 HydrophobicContact CG-CG2 4.48Å
441	C	93.5	Very high	94.4	Very high	26 Å²	26	33.7 Å²	33.7	18%	0.176	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-43.2	175.5	-77	0	0	0	0	112	V437 H438 K443 G444 C446	V437-C441 WeakPolarHBondContact O-CB 3.46Å; V437-C441 PolarHBondContact O-N 2.63Å; V437-C441 PolarHBondContact O-SG 3.03Å; H438-C441 PolarHBondContact O-N 2.81Å; C441-K443 PolarHBondContact O-N 3.22Å; C441-G444 PolarHBondContact O-N 2.64Å; C441-C446 HydrophobicContact CB-CB 3.72Å; C441-C446 WeakPolarHBondContact CB-SG 3.38Å; C441-C446 WeakPolarHBondContact SG-CA 3.41Å; C441-C446 WeakPolarHBondContact SG-CB 3.38Å; C441-C446 CovalentContact SG-SG 2.06Å; C441-C446 PolarHBondContact SG-SG 3.24Å
442	Q	88.7	Confident	94.4	Very high	107 Å²	107	36.9 Å²	36.9	50%	0.5	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-23.9	175.9	-75.4	-175.6	-21.4	0	0	113.8	H438 L440 G444	H438-Q442 PolarHBondContact CE1-NE2 3.41Å; H438-Q442 VanDerWaalsContact CE1-NE2 3.29Å; H438-Q442 PolarHBondContact NE2-NE2 3.31Å; H438-Q442 WeakPolarHBondContact O-CG 3.47Å; H438-Q442 PolarHBondContact O-N 3.14Å; L440-Q442 PolarHBondContact O-N 2.98Å; Q442-G444 VanDerWaalsContact C-N 3.28Å
443	K	86.3	Confident	94.4	Very high	91 Å²	91	40.2 Å²	40.2	40%	0.396	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.9	173.7	-69.5	-173.5	178.5	-166.7	0	113.8	H403 K439 L440 C441 G445	H403-K443 VanDerWaalsContact CA-NZ 3.31Å; K439-K443 WeakPolarHBondContact O-CG 3.37Å; K439-K443 PolarHBondContact O-N 3.3Å; L440-K443 PolarHBondContact O-N 3.27Å; L440-K443 VanDerWaalsContact O-N 3.15Å; C441-K443 PolarHBondContact O-N 3.22Å; K443-G445 VanDerWaalsContact C-N 3.33Å
444	G	87.9	Confident	94.3	Very high	71 Å²	71	40.2 Å²	40.2	73%	0.732	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	11.6	-177.1	0	0	0	0	0	114.3	L440 C441 Q442	L440-G444 PolarHBondContact O-N 3.09Å; C441-G444 PolarHBondContact O-N 2.64Å; Q442-G444 VanDerWaalsContact C-N 3.28Å
445	G	90.9	Very high	94.3	Very high	14 Å²	14	41.1 Å²	41.1	14%	0.144	24%	0.235	C	C	.	.			trans	-96	26	178.5	0	0	0	0	0	114	L440 K443 E447 L448	L440-G445 WeakPolarHBondContact O-CA 3.39Å; L440-G445 PolarHBondContact O-N 3.42Å; K443-G445 VanDerWaalsContact C-N 3.33Å; G445-E447 VanDerWaalsContact C-N 3.26Å; G445-E447 PolarHBondContact O-N 3.21Å; G445-L448 WeakPolarHBondContact O-CB 3.3Å; G445-L448 WeakPolarHBondContact O-CD1 3.49Å; G445-L448 VanDerWaalsContact O-CG 3.29Å; G445-L448 WeakPolarHBondContact O-CG 3.26Å; G445-L448 PolarHBondContact O-N 2.98Å
446	C	93	Very high	94.3	Very high	28 Å²	28	46.8 Å²	46.8	19%	0.189	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.9	-173.1	-144.4	0	0	0	0	113.5	C441 V451 K455	C441-C446 HydrophobicContact CB-CB 3.72Å; C441-C446 WeakPolarHBondContact CB-SG 3.38Å; C441-C446 WeakPolarHBondContact SG-CA 3.41Å; C441-C446 WeakPolarHBondContact SG-CB 3.38Å; C441-C446 CovalentContact SG-SG 2.06Å; C441-C446 PolarHBondContact SG-SG 3.24Å; C446-V451 WeakPolarHBondContact O-CG1 3.4Å; C446-K455 WeakPolarHBondContact SG-CE 3.4Å; C446-K455 PolarHBondContact SG-NZ 2.85Å
447	E	95	Very high	94.3	Very high	157 Å²	157	49.1 Å²	49.1	73%	0.734	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	7.9	179.5	-57.9	-54.3	133.1	0	0	113.4	G445	G445-E447 VanDerWaalsContact C-N 3.26Å; G445-E447 PolarHBondContact O-N 3.21Å
448	L	95.3	Very high	94.3	Very high	56 Å²	56	49.1 Å²	49.1	29%	0.293	27%	0.27	S	S	.	.			trans	-65.2	139.8	176.7	-70	171.2	0	0	0	110.2	E406 G445 T450 V451 V452	E406-L448 HydrophobicContact CB-CD1 4.27Å; G445-L448 WeakPolarHBondContact O-CB 3.3Å; G445-L448 WeakPolarHBondContact O-CD1 3.49Å; G445-L448 VanDerWaalsContact O-CG 3.29Å; G445-L448 WeakPolarHBondContact O-CG 3.26Å; G445-L448 PolarHBondContact O-N 2.98Å; L448-T450 PolarHBondContact O-N 3.38Å; L448-V451 HydrophobicContact CB-CB 4.18Å; L448-V451 HydrophobicContact CB-CG2 3.9Å; L448-V451 HydrophobicContact CD1-CG2 4.46Å; L448-V451 WeakPolarHBondContact O-CA 3.21Å; L448-V451 WeakPolarHBondContact O-CB 3.5Å; L448-V451 PolarHBondContact O-N 3.05Å; L448-V452 PolarHBondContact O-N 3.44Å
449	P	96.5	Very high	94.4	Very high	97 Å²	97	49.6 Å²	49.6	63%	0.63	27%	0.273	S	S	*	.	H	α-helix	trans	-49.4	-49.6	-175.7	-29.6	33.4	0	0	0	114.5	E406 V451 V452 E453	E406-P449 VanDerWaalsContact OE1-CD 3.27Å; E406-P449 WeakPolarHBondContact OE1-CD 3.45Å; P449-V451 VanDerWaalsContact C-N 3.31Å; P449-V451 PolarHBondContact O-N 3.38Å; P449-V452 PolarHBondContact O-N 3.42Å; P449-E453 PolarHBondContact O-N 3.24Å
450	T	96.3	Very high	94.5	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-67.8	-33.1	179.9	-50.7	0	0	0	0	111.7	E406 L409 Q410 V413 L448 E453 V454	E406-T450 PolarHBondContact OE1-N 2.86Å; E406-T450 PolarHBondContact OE1-OG1 3.49Å; L409-T450 HydrophobicContact CB-CG2 4.18Å; L409-T450 HydrophobicContact CD2-CG2 3.97Å; L409-T450 HydrophobicContact CG-CG2 3.81Å; Q410-T450 HydrophobicContact CB-CG2 4.08Å; Q410-T450 VanDerWaalsContact OE1-CG2 3.27Å; Q410-T450 PolarHBondContact OE1-OG1 3.27Å; V413-T450 HydrophobicContact CG2-CG2 4.08Å; L448-T450 PolarHBondContact O-N 3.38Å; T450-E453 PolarHBondContact O-N 2.65Å; T450-V454 WeakPolarHBondContact O-CG2 3.44Å; T450-V454 PolarHBondContact O-N 3.33Å
451	V	97	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-44.4	176.7	176.9	0	0	0	0	110.3	L409 V437 L440 C446 L448 P449 V454 K455	L409-V451 HydrophobicContact CD2-CB 4.4Å; L409-V451 HydrophobicContact CD2-CG2 3.74Å; V437-V451 HydrophobicContact CG1-CG1 4.17Å; V437-V451 HydrophobicContact CG2-CG1 4.45Å; L440-V451 HydrophobicContact CB-CG2 4.06Å; L440-V451 HydrophobicContact CD1-CG2 3.6Å; L440-V451 HydrophobicContact CG-CG2 4.48Å; C446-V451 WeakPolarHBondContact O-CG1 3.4Å; L448-V451 HydrophobicContact CB-CB 4.18Å; L448-V451 HydrophobicContact CB-CG2 3.9Å; L448-V451 HydrophobicContact CD1-CG2 4.46Å; L448-V451 WeakPolarHBondContact O-CA 3.21Å; L448-V451 WeakPolarHBondContact O-CB 3.5Å; L448-V451 PolarHBondContact O-N 3.05Å; P449-V451 VanDerWaalsContact C-N 3.31Å; P449-V451 PolarHBondContact O-N 3.38Å; V451-V454 PolarHBondContact O-N 3.36Å; V451-K455 HydrophobicContact CG1-CD 4.47Å; V451-K455 HydrophobicContact CG1-CG 4.34Å; V451-K455 WeakPolarHBondContact O-CB 3.43Å; V451-K455 VanDerWaalsContact O-CG 3.29Å; V451-K455 WeakPolarHBondContact O-CG 3.48Å; V451-K455 PolarHBondContact O-N 2.99Å
452	V	97.3	Very high	94.5	Very high	68 Å²	68	53.1 Å²	53.1	41%	0.412	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-41.2	177	175.9	0	0	0	0	111.4	L448 P449 K455 K456	L448-V452 PolarHBondContact O-N 3.44Å; P449-V452 PolarHBondContact O-N 3.42Å; V452-K455 PolarHBondContact O-N 3.38Å; V452-K456 PolarHBondContact O-N 3.26Å
453	E	97	Very high	94.7	Very high	71 Å²	71	52.4 Å²	52.4	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-58.3	-50.3	174.4	-177.2	-176.8	178.2	0	0	111.5	K417 P449 T450 K456 M457	K417-E453 WeakPolarHBondContact CE-OE1 3.17Å; K417-E453 IonicContact NZ-OE1 2.91Å; K417-E453 PolarHBondContact NZ-OE1 2.97Å; P449-E453 PolarHBondContact O-N 3.24Å; T450-E453 PolarHBondContact O-N 2.65Å; E453-K456 PolarHBondContact O-N 3.17Å; E453-M457 PolarHBondContact O-N 3.38Å
454	V	97.2	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.5	-41	-179.2	175	0	0	0	0	111.3	L409 V413 M433 V437 T450 V451 K456 M457 I458	L409-V454 HydrophobicContact CD1-CG1 4.47Å; L409-V454 HydrophobicContact CD1-CG2 4.05Å; L409-V454 HydrophobicContact CD2-CB 4.44Å; L409-V454 HydrophobicContact CD2-CG2 4.12Å; L409-V454 HydrophobicContact CG-CG2 4.06Å; V413-V454 HydrophobicContact CG2-CG2 3.35Å; M433-V454 HydrophobicContact CB-CG1 3.95Å; M433-V454 HydrophobicContact SD-CG1 4.43Å; V437-V454 HydrophobicContact CG2-CB 4.03Å; V437-V454 HydrophobicContact CG2-CG1 3.61Å; T450-V454 WeakPolarHBondContact O-CG2 3.44Å; T450-V454 PolarHBondContact O-N 3.33Å; V451-V454 PolarHBondContact O-N 3.36Å; V454-K456 VanDerWaalsContact C-N 3.3Å; V454-K456 PolarHBondContact O-N 3.49Å; V454-M457 WeakPolarHBondContact O-CB 3.37Å; V454-M457 PolarHBondContact O-N 2.93Å; V454-I458 HydrophobicContact CG1-CG2 4.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.35Å; V454-I458 PolarHBondContact O-N 2.9Å
455	K	97.1	Very high	95.1	Very high	19 Å²	19	50.3 Å²	50.3	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-52.1	-51	173.4	-83.2	-173.4	165.4	-152.8	0	110.8	V437 C446 V451 V452 M457 I458 L459 L483 E485	V437-K455 HydrophobicContact CG1-CG 4.09Å; C446-K455 WeakPolarHBondContact SG-CE 3.4Å; C446-K455 PolarHBondContact SG-NZ 2.85Å; V451-K455 HydrophobicContact CG1-CD 4.47Å; V451-K455 HydrophobicContact CG1-CG 4.34Å; V451-K455 WeakPolarHBondContact O-CB 3.43Å; V451-K455 VanDerWaalsContact O-CG 3.29Å; V451-K455 WeakPolarHBondContact O-CG 3.48Å; V451-K455 PolarHBondContact O-N 2.99Å; V452-K455 PolarHBondContact O-N 3.38Å; K455-M457 PolarHBondContact O-N 3.22Å; K455-I458 WeakPolarHBondContact O-CG1 3.39Å; K455-I458 PolarHBondContact O-N 3.26Å; K455-L459 VanDerWaalsContact O-CB 3.31Å; K455-L459 WeakPolarHBondContact O-CB 3.36Å; K455-L459 WeakPolarHBondContact O-CD1 3.37Å; K455-L459 VanDerWaalsContact O-CG 3.23Å; K455-L459 WeakPolarHBondContact O-CG 3.33Å; K455-L459 PolarHBondContact O-N 3.05Å; K455-L483 HydrophobicContact CB-CD1 4.43Å; K455-L483 HydrophobicContact CD-CD1 4.47Å; K455-L483 HydrophobicContact CD-CD2 4.33Å; K455-L483 VanDerWaalsContact CE-CD2 3.42Å; K455-L483 HydrophobicContact CG-CD1 3.82Å; K455-L483 HydrophobicContact CG-CD2 4.33Å; K455-E485 IonicContact NZ-OE1 2.83Å; K455-E485 PolarHBondContact NZ-OE1 3.43Å
456	K	96.6	Very high	95	Very high	123 Å²	123	58.6 Å²	58.6	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-47.8	178.6	-172.9	-179.2	179.4	-176	0	111.1	V452 E453 V454 I458 L459 E460	V452-K456 PolarHBondContact O-N 3.26Å; E453-K456 PolarHBondContact O-N 3.17Å; V454-K456 VanDerWaalsContact C-N 3.3Å; V454-K456 PolarHBondContact O-N 3.49Å; K456-I458 PolarHBondContact O-N 3.39Å; K456-L459 PolarHBondContact O-N 2.8Å; K456-E460 VanDerWaalsContact CE-CD 3.41Å; K456-E460 WeakPolarHBondContact CE-OE1 3.21Å; K456-E460 VanDerWaalsContact CE-OE2 3.23Å; K456-E460 WeakPolarHBondContact CE-OE2 3.46Å; K456-E460 HydrophobicContact CG-CG 4.32Å; K456-E460 WeakPolarHBondContact CG-OE1 3.21Å; K456-E460 WeakPolarHBondContact O-CB 3.4Å; K456-E460 WeakPolarHBondContact O-CG 3.14Å; K456-E460 PolarHBondContact O-N 3.06Å
457	M	95.6	Very high	94.9	Very high	49 Å²	49	60.7 Å²	60.7	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-56.3	-46.7	178.3	-176.8	-167.5	-65.1	0	0	112.7	E453 V454 K455 G461	E453-M457 PolarHBondContact O-N 3.38Å; V454-M457 WeakPolarHBondContact O-CB 3.37Å; V454-M457 PolarHBondContact O-N 2.93Å; K455-M457 PolarHBondContact O-N 3.22Å; M457-G461 WeakPolarHBondContact O-CA 3.4Å; M457-G461 PolarHBondContact O-N 3.14Å
458	I	96.5	Very high	94.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-78.9	-27	-176.8	66.2	179.1	0	0	0	113.3	V430 V454 K455 K456 P462 A477 L478 L483	V430-I458 HydrophobicContact CG1-CG2 4.36Å; V454-I458 HydrophobicContact CG1-CG2 4.29Å; V454-I458 WeakPolarHBondContact O-CG1 3.35Å; V454-I458 PolarHBondContact O-N 2.9Å; K455-I458 WeakPolarHBondContact O-CG1 3.39Å; K455-I458 PolarHBondContact O-N 3.26Å; K456-I458 PolarHBondContact O-N 3.39Å; I458-P462 VanDerWaalsContact O-CD 3.27Å; I458-P462 WeakPolarHBondContact O-CD 3.36Å; I458-A477 HydrophobicContact CG2-CB 4.22Å; I458-L478 HydrophobicContact CB-CD2 4.15Å; I458-L478 HydrophobicContact CB-CG 4.45Å; I458-L478 HydrophobicContact CD1-CD2 3.96Å; I458-L478 HydrophobicContact CG1-CD2 3.74Å; I458-L478 WeakPolarHBondContact O-CD1 3.4Å; I458-L483 HydrophobicContact CD1-CD1 3.98Å
459	L	96.9	Very high	94.3	Very high	42 Å²	42	55 Å²	55	22%	0.22	30%	0.298	C	S	.	.	H	α-helix	trans	-76.7	-41.3	176.9	-73.8	167.2	0	0	0	112.1	K455 K456 L478 E485 A486	K455-L459 VanDerWaalsContact O-CB 3.31Å; K455-L459 WeakPolarHBondContact O-CB 3.36Å; K455-L459 WeakPolarHBondContact O-CD1 3.37Å; K455-L459 VanDerWaalsContact O-CG 3.23Å; K455-L459 WeakPolarHBondContact O-CG 3.33Å; K455-L459 PolarHBondContact O-N 3.05Å; K456-L459 PolarHBondContact O-N 2.8Å; L459-L478 HydrophobicContact CD2-CD2 3.79Å; L459-L478 HydrophobicContact CG-CD2 4.23Å; L459-E485 HydrophobicContact CD1-CB 4.14Å; L459-E485 HydrophobicContact CD2-CB 4.26Å; L459-A486 HydrophobicContact CD2-CB 4Å
460	E	95.9	Very high	94.1	Very high	111 Å²	111	51.8 Å²	51.8	52%	0.519	28%	0.275	S	S	.	.	H	α-helix	trans	-81	-22.8	178	-64.8	175.3	176	0	0	112.1	K456 D463 S464	K456-E460 VanDerWaalsContact CE-CD 3.41Å; K456-E460 WeakPolarHBondContact CE-OE1 3.21Å; K456-E460 VanDerWaalsContact CE-OE2 3.23Å; K456-E460 WeakPolarHBondContact CE-OE2 3.46Å; K456-E460 HydrophobicContact CG-CG 4.32Å; K456-E460 WeakPolarHBondContact CG-OE1 3.21Å; K456-E460 WeakPolarHBondContact O-CB 3.4Å; K456-E460 WeakPolarHBondContact O-CG 3.14Å; K456-E460 PolarHBondContact O-N 3.06Å; E460-D463 PolarHBondContact O-N 3.26Å; E460-S464 PolarHBondContact O-N 3.02Å; E460-S464 VanDerWaalsContact O-N 3.14Å
461	G	93.1	Very high	94	Very high	2 Å²	2	52 Å²	52	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-50.2	-53.6	-175.7	0	0	0	0	0	115.2	M457 D463 S464	M457-G461 WeakPolarHBondContact O-CA 3.4Å; M457-G461 PolarHBondContact O-N 3.14Å; G461-D463 VanDerWaalsContact C-N 3.28Å; G461-D463 PolarHBondContact O-N 2.68Å; G461-S464 WeakPolarHBondContact O-CB 3.27Å; G461-S464 PolarHBondContact O-N 3.32Å; G461-S464 PolarHBondContact O-OG 3.25Å
462	P	93.9	Very high	93.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-57.2	-37	-178.3	-29.1	38.2	0	0	0	114.1	I458 I471 Y474 L475 L478 L489 Y493	I458-P462 VanDerWaalsContact O-CD 3.27Å; I458-P462 WeakPolarHBondContact O-CD 3.36Å; P462-I471 HydrophobicContact CB-CG2 4.46Å; P462-Y474 HydrophobicContact CG-CG 4.43Å; P462-L475 HydrophobicContact CG-CD2 4.39Å; P462-L478 HydrophobicContact CG-CD1 4Å; P462-L489 HydrophobicContact CB-CD2 4.21Å; P462-L489 HydrophobicContact CG-CD2 3.77Å; P462-Y493 HydrophobicContact CB-CE2 3.61Å; P462-Y493 VanDerWaalsContact CB-OH 3.28Å; P462-Y493 WeakPolarHBondContact CB-OH 3.28Å; P462-Y493 PolarHBondContact O-OH 2.83Å
463	D	92.7	Very high	93.8	Very high	92 Å²	92	51.6 Å²	51.6	49%	0.492	27%	0.269	S	S	.	.	H	α-helix	trans	-86	-11.4	-179.4	-76.7	-26	0	0	0	112.7	E460 G461 K492 Y493	E460-D463 PolarHBondContact O-N 3.26Å; G461-D463 VanDerWaalsContact C-N 3.28Å; G461-D463 PolarHBondContact O-N 2.68Å; D463-K492 IonicContact OD1-NZ 3.56Å; D463-K492 PolarHBondContact OD1-NZ 2.98Å; D463-K492 IonicContact OD2-NZ 2.65Å; D463-K492 PolarHBondContact OD2-NZ 3.31Å; D463-K492 VanDerWaalsContact OD2-NZ 3.09Å; D463-Y493 PolarHBondContact OD1-OH 2.85Å; D463-Y493 VanDerWaalsContact OD1-OH 3.07Å
464	S	92	Very high	93.8	Very high	85 Å²	85	50 Å²	50	59%	0.594	26%	0.26	S	S	*	.	H	α-helix	trans	-83.3	-11.4	-178.1	75	0	0	0	0	114.8	E460 G461	E460-S464 PolarHBondContact O-N 3.02Å; E460-S464 VanDerWaalsContact O-N 3.14Å; G461-S464 WeakPolarHBondContact O-CB 3.27Å; G461-S464 PolarHBondContact O-N 3.32Å; G461-S464 PolarHBondContact O-OG 3.25Å
465	T	91.3	Very high	93.8	Very high	32 Å²	32	50 Å²	50	20%	0.196	26%	0.26	C	S	.	.			trans	-139.4	151.2	-173.2	-175.1	0	0	0	0	111.6	V467 D470 I471 Y474	T465-V467 PolarHBondContact OG1-N 3.06Å; T465-V467 VanDerWaalsContact OG1-N 3.14Å; T465-D470 HydrophobicContact CG2-CB 3.76Å; T465-I471 HydrophobicContact CG2-CG1 3.83Å; T465-I471 WeakPolarHBondContact O-CD1 3.35Å; T465-Y474 HydrophobicContact CG2-CE2 4.47Å
466	Q	89.1	Confident	93.8	Very high	188 Å²	188	49.6 Å²	49.6	88%	0.879	26%	0.259	S	S	*	.			trans	-102	-3.4	171.7	-63.6	-177.8	-5.7	0	0	112	V468	Q466-V468 PolarHBondContact O-N 3.47Å
467	V	91.4	Very high	93.8	Very high	72 Å²	72	43.8 Å²	43.8	44%	0.436	23%	0.234	S	C	.	.			trans	-76	121.2	-177.3	-179.3	0	0	0	0	109.8	T465 S469 D470 I471	T465-V467 PolarHBondContact OG1-N 3.06Å; T465-V467 VanDerWaalsContact OG1-N 3.14Å; V467-S469 VanDerWaalsContact C-N 3.35Å; V467-S469 WeakPolarHBondContact CG1-OG 3.36Å; V467-S469 PolarHBondContact O-N 3.45Å; V467-D470 HydrophobicContact CB-CB 4.14Å; V467-D470 HydrophobicContact CG1-CB 4.41Å; V467-D470 PolarHBondContact O-N 2.88Å; V467-I471 PolarHBondContact O-N 2.88Å; V467-I471 VanDerWaalsContact O-N 3.15Å
468	V	88.1	Confident	93.9	Very high	72 Å²	72	41.4 Å²	41.4	44%	0.436	22%	0.222	S	C	.	.	H	α-helix	trans	-57.9	-43.7	-169.4	173.7	0	0	0	0	113.7	Q466 D470 Q472 Y501	Q466-V468 PolarHBondContact O-N 3.47Å; V468-D470 VanDerWaalsContact C-N 3.33Å; V468-D470 PolarHBondContact O-N 2.67Å; V468-Q472 WeakPolarHBondContact O-CG 3.31Å; V468-Q472 PolarHBondContact O-N 3.44Å; V468-Y501 WeakPolarHBondContact CA-OH 3.48Å; V468-Y501 WeakPolarHBondContact CB-OH 3.44Å; V468-Y501 HydrophobicContact CG1-CE1 3.94Å; V468-Y501 WeakPolarHBondContact CG1-OH 3.44Å; V468-Y501 WeakPolarHBondContact CG2-OH 3.25Å
469	S	88.4	Confident	93.9	Very high	23 Å²	23	41.8 Å²	41.8	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-35.8	178	54	0	0	0	0	113.1	K423 V467 Q472 M473	K423-S469 WeakPolarHBondContact CE-OG 3.42Å; K423-S469 PolarHBondContact NZ-OG 3.15Å; V467-S469 VanDerWaalsContact C-N 3.35Å; V467-S469 WeakPolarHBondContact CG1-OG 3.36Å; V467-S469 PolarHBondContact O-N 3.45Å; S469-Q472 PolarHBondContact O-N 3.3Å; S469-M473 WeakPolarHBondContact O-CB 3.23Å; S469-M473 PolarHBondContact O-N 3.49Å
470	D	92.4	Very high	93.9	Very high	29 Å²	29	39.9 Å²	39.9	16%	0.155	21%	0.214	C	C	.	.	H	α-helix	trans	-74.5	-36.8	-174.6	-67	17.5	0	0	0	109.4	T465 V467 V468 M473 Y474	T465-D470 HydrophobicContact CG2-CB 3.76Å; V467-D470 HydrophobicContact CB-CB 4.14Å; V467-D470 HydrophobicContact CG1-CB 4.41Å; V467-D470 PolarHBondContact O-N 2.88Å; V468-D470 VanDerWaalsContact C-N 3.33Å; V468-D470 PolarHBondContact O-N 2.67Å; D470-M473 WeakPolarHBondContact O-CB 3.25Å; D470-M473 PolarHBondContact O-N 3.02Å; D470-Y474 WeakPolarHBondContact O-CD2 3.49Å; D470-Y474 PolarHBondContact O-N 3.44Å; D470-Y474 VanDerWaalsContact O-N 3.09Å
471	I	95.2	Very high	93.9	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-60.2	-47.2	170	-59.9	176.9	0	0	0	110.4	P462 T465 V467 M473 Y474 L475 Y493 Y501	P462-I471 HydrophobicContact CB-CG2 4.46Å; T465-I471 HydrophobicContact CG2-CG1 3.83Å; T465-I471 WeakPolarHBondContact O-CD1 3.35Å; V467-I471 PolarHBondContact O-N 2.88Å; V467-I471 VanDerWaalsContact O-N 3.15Å; I471-M473 VanDerWaalsContact C-N 3.34Å; I471-M473 PolarHBondContact O-N 3.02Å; I471-Y474 PolarHBondContact O-N 3.12Å; I471-L475 HydrophobicContact CG2-CD1 3.98Å; I471-L475 HydrophobicContact CG2-CG 4.3Å; I471-L475 WeakPolarHBondContact O-CG 3.38Å; I471-L475 PolarHBondContact O-N 3.27Å; I471-Y493 HydrophobicContact CG2-CD1 4.48Å; I471-Y493 HydrophobicContact CG2-CE1 3.87Å; I471-Y501 HydrophobicContact CB-CE1 4.12Å; I471-Y501 HydrophobicContact CD1-CE2 4.12Å; I471-Y501 HydrophobicContact CG2-CD1 4.22Å; I471-Y501 HydrophobicContact CG2-CD2 4.32Å; I471-Y501 HydrophobicContact CG2-CE1 3.98Å; I471-Y501 HydrophobicContact CG2-CE2 4.11Å; I471-Y501 HydrophobicContact CG2-CG 4.41Å
472	Q	94.3	Very high	94	Very high	59 Å²	59	36.1 Å²	36.1	28%	0.276	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-43.4	177.8	-69	178.2	6.9	0	0	112.1	V468 S469 Y474 L475 L476 Y501 I504	V468-Q472 WeakPolarHBondContact O-CG 3.31Å; V468-Q472 PolarHBondContact O-N 3.44Å; S469-Q472 PolarHBondContact O-N 3.3Å; Q472-Y474 PolarHBondContact O-N 2.92Å; Q472-L475 PolarHBondContact O-N 3.24Å; Q472-L476 WeakPolarHBondContact O-CB 3.16Å; Q472-L476 VanDerWaalsContact O-CG 3.26Å; Q472-L476 WeakPolarHBondContact O-CG 3.32Å; Q472-L476 PolarHBondContact O-N 3.34Å; Q472-Y501 HydrophobicContact CG-CD1 3.95Å; Q472-Y501 HydrophobicContact CG-CE1 3.77Å; Q472-I504 HydrophobicContact CB-CD1 4.03Å; Q472-I504 HydrophobicContact CG-CD1 3.94Å
473	M	95.5	Very high	94.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-54.8	-49.4	175.5	174	-169.5	70.8	0	0	111.5	E427 V430 S469 D470 I471 L476 A477	E427-M473 HydrophobicContact CB-CG 4.18Å; E427-M473 HydrophobicContact CB-SD 4.39Å; E427-M473 HydrophobicContact CG-CB 4.13Å; E427-M473 HydrophobicContact CG-CG 4.13Å; E427-M473 HydrophobicContact CG-SD 4.09Å; V430-M473 HydrophobicContact CB-CE 4.36Å; V430-M473 HydrophobicContact CB-CG 3.81Å; V430-M473 HydrophobicContact CB-SD 3.81Å; V430-M473 HydrophobicContact CG1-CE 4.27Å; V430-M473 HydrophobicContact CG1-CG 4.02Å; V430-M473 HydrophobicContact CG1-SD 4.29Å; V430-M473 HydrophobicContact CG2-CE 4.06Å; V430-M473 HydrophobicContact CG2-CG 4.37Å; V430-M473 HydrophobicContact CG2-SD 3.69Å; S469-M473 WeakPolarHBondContact O-CB 3.23Å; S469-M473 PolarHBondContact O-N 3.49Å; D470-M473 WeakPolarHBondContact O-CB 3.25Å; D470-M473 PolarHBondContact O-N 3.02Å; I471-M473 VanDerWaalsContact C-N 3.34Å; I471-M473 PolarHBondContact O-N 3.02Å; M473-L476 PolarHBondContact O-N 3.15Å; M473-A477 WeakPolarHBondContact O-CB 3.5Å; M473-A477 PolarHBondContact O-N 2.93Å
474	Y	97.4	Very high	94.2	Very high	38 Å²	38	34.9 Å²	34.9	15%	0.149	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-40.6	178.3	-71.6	-62.4	0	0	0	112.7	V430 P462 T465 D470 I471 Q472 L476 A477 L478	V430-Y474 HydrophobicContact CG1-CD1 3.99Å; V430-Y474 HydrophobicContact CG1-CE1 4.11Å; P462-Y474 HydrophobicContact CG-CG 4.43Å; T465-Y474 HydrophobicContact CG2-CE2 4.47Å; D470-Y474 WeakPolarHBondContact O-CD2 3.49Å; D470-Y474 PolarHBondContact O-N 3.44Å; D470-Y474 VanDerWaalsContact O-N 3.09Å; I471-Y474 PolarHBondContact O-N 3.12Å; Q472-Y474 PolarHBondContact O-N 2.92Å; Y474-L476 VanDerWaalsContact C-N 3.31Å; Y474-L476 PolarHBondContact O-N 3.14Å; Y474-A477 PolarHBondContact O-N 3.39Å; Y474-L478 WeakPolarHBondContact O-CB 3.33Å; Y474-L478 VanDerWaalsContact O-CG 3.32Å; Y474-L478 WeakPolarHBondContact O-CG 3.15Å; Y474-L478 PolarHBondContact O-N 2.99Å
475	L	97.1	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-38	175.9	-68.9	175.6	0	0	0	112.1	P462 I471 Q472 L478 K479 F490 Y493 Y501 I504	P462-L475 HydrophobicContact CG-CD2 4.39Å; I471-L475 HydrophobicContact CG2-CD1 3.98Å; I471-L475 HydrophobicContact CG2-CG 4.3Å; I471-L475 WeakPolarHBondContact O-CG 3.38Å; I471-L475 PolarHBondContact O-N 3.27Å; Q472-L475 PolarHBondContact O-N 3.24Å; L475-L478 PolarHBondContact O-N 2.96Å; L475-K479 WeakPolarHBondContact O-CB 3.39Å; L475-K479 PolarHBondContact O-N 3.12Å; L475-F490 HydrophobicContact CD2-CD1 4.2Å; L475-F490 HydrophobicContact CD2-CE1 4.06Å; L475-Y493 HydrophobicContact CD1-CD1 4.47Å; L475-Y493 HydrophobicContact CD1-CG 4.36Å; L475-Y493 HydrophobicContact CD2-CD2 3.93Å; L475-Y493 HydrophobicContact CD2-CE2 4.44Å; L475-Y493 HydrophobicContact CD2-CG 4.19Å; L475-Y501 HydrophobicContact CD1-CD1 4.25Å; L475-Y501 HydrophobicContact CD1-CG 4.24Å; L475-I504 HydrophobicContact CB-CB 4.44Å; L475-I504 HydrophobicContact CB-CG2 3.63Å
476	L	96.5	Very high	94.5	Very high	10 Å²	10	34 Å²	34	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-68.6	-39.3	174.6	-70.9	168.5	0	0	0	112	I431 Q472 M473 Y474 K479 N480 I504 Q701 P704	I431-L476 HydrophobicContact CD1-CB 3.99Å; I431-L476 HydrophobicContact CD1-CD1 3.86Å; I431-L476 HydrophobicContact CG1-CB 3.83Å; Q472-L476 WeakPolarHBondContact O-CB 3.16Å; Q472-L476 VanDerWaalsContact O-CG 3.26Å; Q472-L476 WeakPolarHBondContact O-CG 3.32Å; Q472-L476 PolarHBondContact O-N 3.34Å; M473-L476 PolarHBondContact O-N 3.15Å; Y474-L476 VanDerWaalsContact C-N 3.31Å; Y474-L476 PolarHBondContact O-N 3.14Å; L476-K479 WeakPolarHBondContact O-CB 3.48Å; L476-K479 PolarHBondContact O-N 3.07Å; L476-N480 PolarHBondContact O-N 3.5Å; L476-N480 VanDerWaalsContact O-N 3.08Å; L476-I504 HydrophobicContact CD2-CD1 4.37Å; L476-I504 HydrophobicContact CD2-CG1 4.31Å; L476-I504 HydrophobicContact CD2-CG2 4.09Å; L476-I504 HydrophobicContact CG-CD1 4.25Å; L476-I504 HydrophobicContact CG-CG2 4.36Å; L476-Q701 HydrophobicContact CD2-CG 3.88Å; L476-P704 HydrophobicContact CD1-CG 4.01Å
477	A	97.5	Very high	94.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-42.9	172.9	0	0	0	0	0	111.7	V430 G434 I458 M473 Y474 K479 N480 S481	V430-A477 HydrophobicContact CG1-CB 3.83Å; V430-A477 VanDerWaalsContact O-CB 3.22Å; V430-A477 WeakPolarHBondContact O-CB 3.48Å; G434-A477 WeakPolarHBondContact CA-O 3.47Å; I458-A477 HydrophobicContact CG2-CB 4.22Å; M473-A477 WeakPolarHBondContact O-CB 3.5Å; M473-A477 PolarHBondContact O-N 2.93Å; Y474-A477 PolarHBondContact O-N 3.39Å; A477-K479 VanDerWaalsContact C-N 3.33Å; A477-K479 PolarHBondContact O-N 3.42Å; A477-N480 WeakPolarHBondContact O-CB 3.5Å; A477-N480 PolarHBondContact O-N 3.28Å; A477-N480 VanDerWaalsContact O-N 3.16Å; A477-S481 PolarHBondContact O-N 3.03Å
478	L	97.8	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-40.2	173.9	-71.4	169.8	0	0	0	111.7	I458 L459 P462 Y474 L475 N480 S481 L482 A486 L489 F490	I458-L478 HydrophobicContact CB-CD2 4.15Å; I458-L478 HydrophobicContact CB-CG 4.45Å; I458-L478 HydrophobicContact CD1-CD2 3.96Å; I458-L478 HydrophobicContact CG1-CD2 3.74Å; I458-L478 WeakPolarHBondContact O-CD1 3.4Å; L459-L478 HydrophobicContact CD2-CD2 3.79Å; L459-L478 HydrophobicContact CG-CD2 4.23Å; P462-L478 HydrophobicContact CG-CD1 4Å; Y474-L478 WeakPolarHBondContact O-CB 3.33Å; Y474-L478 VanDerWaalsContact O-CG 3.32Å; Y474-L478 WeakPolarHBondContact O-CG 3.15Å; Y474-L478 PolarHBondContact O-N 2.99Å; L475-L478 PolarHBondContact O-N 2.96Å; L478-N480 PolarHBondContact O-N 3.42Å; L478-S481 WeakPolarHBondContact CA-OG 3.27Å; L478-S481 PolarHBondContact O-N 2.67Å; L478-S481 PolarHBondContact O-OG 2.86Å; L478-L482 PolarHBondContact O-N 2.88Å; L478-L482 VanDerWaalsContact O-N 3.11Å; L478-A486 HydrophobicContact CB-CB 4.47Å; L478-A486 HydrophobicContact CD2-CB 3.92Å; L478-L489 HydrophobicContact CD1-CD2 3.59Å; L478-F490 HydrophobicContact CB-CE1 4.1Å; L478-F490 HydrophobicContact CB-CE2 4.2Å; L478-F490 HydrophobicContact CB-CZ 3.44Å; L478-F490 VanDerWaalsContact CB-CZ 3.44Å
479	K	96.4	Very high	95.4	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.03	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-30.8	175.1	-179.6	175.3	-179.7	-172.4	0	112.3	L475 L476 A477 L482 T507 A508 R511 Q701	L475-K479 WeakPolarHBondContact O-CB 3.39Å; L475-K479 PolarHBondContact O-N 3.12Å; L476-K479 WeakPolarHBondContact O-CB 3.48Å; L476-K479 PolarHBondContact O-N 3.07Å; A477-K479 VanDerWaalsContact C-N 3.33Å; A477-K479 PolarHBondContact O-N 3.42Å; K479-L482 WeakPolarHBondContact O-CD2 3.43Å; K479-T507 PolarHBondContact NZ-OG1 3.5Å; K479-T507 VanDerWaalsContact NZ-OG1 3.09Å; K479-A508 HydrophobicContact CB-CB 3.83Å; K479-A508 HydrophobicContact CD-CB 4.2Å; K479-A508 HydrophobicContact CG-CB 3.77Å; K479-R511 PolarHBondContact O-NH1 3.43Å; K479-Q701 HydrophobicContact CD-CG 4.39Å
480	N	96.8	Very high	95.8	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-80.4	-35.8	171.9	-88	-21.3	0	0	0	113.5	I431 A435 H438 L476 A477 L478 L482 Q701	I431-N480 WeakPolarHBondContact CG2-ND2 3.28Å; I431-N480 PolarHBondContact O-ND2 3.31Å; A435-N480 HydrophobicContact CB-CB 4.14Å; H438-N480 VanDerWaalsContact CB-O 3.32Å; H438-N480 WeakPolarHBondContact CB-O 3.43Å; L476-N480 PolarHBondContact O-N 3.5Å; L476-N480 VanDerWaalsContact O-N 3.08Å; A477-N480 WeakPolarHBondContact O-CB 3.5Å; A477-N480 PolarHBondContact O-N 3.28Å; A477-N480 VanDerWaalsContact O-N 3.16Å; L478-N480 PolarHBondContact O-N 3.42Å; N480-L482 VanDerWaalsContact C-N 3.34Å; N480-L482 PolarHBondContact O-N 2.88Å; N480-Q701 PolarHBondContact ND2-O 3.16Å; N480-Q701 WeakPolarHBondContact OD1-CA 3.12Å; N480-Q701 WeakPolarHBondContact OD1-CB 3.46Å; N480-Q701 PolarHBondContact OD1-N 2.79Å
481	S	96.1	Very high	95.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-31.1	-176.7	75.6	0	0	0	0	114	G434 H438 A477 L478 L483	G434-S481 WeakPolarHBondContact O-CA 3.48Å; G434-S481 PolarHBondContact O-N 2.75Å; H438-S481 WeakPolarHBondContact CB-O 3.32Å; H438-S481 PolarHBondContact ND1-O 3.08Å; H438-S481 VanDerWaalsContact ND1-O 3.08Å; A477-S481 PolarHBondContact O-N 3.03Å; L478-S481 WeakPolarHBondContact CA-OG 3.27Å; L478-S481 PolarHBondContact O-N 2.67Å; L478-S481 PolarHBondContact O-OG 2.86Å; S481-L483 PolarHBondContact O-N 3.44Å; S481-L483 WeakPolarHBondContact OG-CG 3.5Å
482	L	94.8	Very high	95.9	Very high	32 Å²	32	27.1 Å²	27.1	17%	0.168	14%	0.141	C	C	.	.			trans	47.6	42	-175.4	-58.9	177.4	0	0	0	113	L478 K479 N480 R511 Y512	L478-L482 PolarHBondContact O-N 2.88Å; L478-L482 VanDerWaalsContact O-N 3.11Å; K479-L482 WeakPolarHBondContact O-CD2 3.43Å; N480-L482 VanDerWaalsContact C-N 3.34Å; N480-L482 PolarHBondContact O-N 2.88Å; L482-R511 HydrophobicContact CD2-CB 3.76Å; L482-Y512 WeakPolarHBondContact CA-OH 3.15Å; L482-Y512 HydrophobicContact CB-CE1 4.39Å; L482-Y512 HydrophobicContact CD2-CD2 4.31Å; L482-Y512 HydrophobicContact CD2-CE2 3.97Å
483	L	95.5	Very high	96	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	13%	0.131	C	C	.	.			trans	-76.1	125	178	-68.4	175.2	0	0	0	110.7	V437 K455 I458 S481 E485 A486 Y512	V437-L483 HydrophobicContact CG1-CD1 4.43Å; V437-L483 HydrophobicContact CG1-CD2 4.16Å; K455-L483 HydrophobicContact CB-CD1 4.43Å; K455-L483 HydrophobicContact CD-CD1 4.47Å; K455-L483 HydrophobicContact CD-CD2 4.33Å; K455-L483 VanDerWaalsContact CE-CD2 3.42Å; K455-L483 HydrophobicContact CG-CD1 3.82Å; K455-L483 HydrophobicContact CG-CD2 4.33Å; I458-L483 HydrophobicContact CD1-CD1 3.98Å; S481-L483 PolarHBondContact O-N 3.44Å; S481-L483 WeakPolarHBondContact OG-CG 3.5Å; L483-E485 WeakPolarHBondContact CB-OE2 3.22Å; L483-E485 PolarHBondContact O-N 3.31Å; L483-E485 VanDerWaalsContact O-N 3.13Å; L483-A486 HydrophobicContact CB-CB 4.35Å; L483-A486 VanDerWaalsContact O-CB 3.26Å; L483-A486 WeakPolarHBondContact O-CB 3.44Å; L483-A486 PolarHBondContact O-N 3.33Å; L483-Y512 PolarHBondContact N-OH 2.89Å; L483-Y512 WeakPolarHBondContact O-CE1 3.45Å; L483-Y512 PolarHBondContact O-OH 2.95Å
484	P	94.5	Very high	96	Very high	64 Å²	64	25.1 Å²	25.1	42%	0.416	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-54.2	-33.1	175.8	-26.4	34.8	0	0	0	113.2	A486 I487 L516	P484-A486 PolarHBondContact O-N 2.86Å; P484-A486 VanDerWaalsContact O-N 3.17Å; P484-I487 WeakPolarHBondContact O-CB 3.27Å; P484-I487 WeakPolarHBondContact O-CG1 3.43Å; P484-I487 PolarHBondContact O-N 2.85Å; P484-I487 VanDerWaalsContact O-N 3.16Å; P484-L516 HydrophobicContact CB-CD1 4.49Å; P484-L516 HydrophobicContact CG-CD1 4.2Å
485	E	94.5	Very high	95.8	Very high	98 Å²	98	25.3 Å²	25.3	46%	0.458	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-63.2	-18.4	177.7	-51.5	93.3	143.4	0	0	113	K455 L459 L483 P488	K455-E485 IonicContact NZ-OE1 2.83Å; K455-E485 PolarHBondContact NZ-OE1 3.43Å; L459-E485 HydrophobicContact CD1-CB 4.14Å; L459-E485 HydrophobicContact CD2-CB 4.26Å; L483-E485 WeakPolarHBondContact CB-OE2 3.22Å; L483-E485 PolarHBondContact O-N 3.31Å; L483-E485 VanDerWaalsContact O-N 3.13Å; E485-P488 WeakPolarHBondContact O-CD 3.46Å
486	A	95.9	Very high	95.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-84	-13.8	178.5	0	0	0	0	0	113.6	L459 L478 L483 P484 L489 F490	L459-A486 HydrophobicContact CD2-CB 4Å; L478-A486 HydrophobicContact CB-CB 4.47Å; L478-A486 HydrophobicContact CD2-CB 3.92Å; L483-A486 HydrophobicContact CB-CB 4.35Å; L483-A486 VanDerWaalsContact O-CB 3.26Å; L483-A486 WeakPolarHBondContact O-CB 3.44Å; L483-A486 PolarHBondContact O-N 3.33Å; P484-A486 PolarHBondContact O-N 2.86Å; P484-A486 VanDerWaalsContact O-N 3.17Å; A486-L489 WeakPolarHBondContact O-CB 3.38Å; A486-L489 PolarHBondContact O-N 2.75Å; A486-L489 VanDerWaalsContact O-N 3.09Å; A486-F490 HydrophobicContact CB-CD2 4.09Å; A486-F490 HydrophobicContact CB-CE2 3.72Å; A486-F490 HydrophobicContact CB-CZ 4.49Å; A486-F490 VanDerWaalsContact O-CD2 3.25Å; A486-F490 WeakPolarHBondContact O-CD2 3.01Å; A486-F490 PolarHBondContact O-N 2.94Å
487	I	96.1	Very high	95.1	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.062	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-44.7	-176.8	-65.8	172.3	0	0	0	112.8	P484 L489 F490 S491 L509 Y512 L516 V521	P484-I487 WeakPolarHBondContact O-CB 3.27Å; P484-I487 WeakPolarHBondContact O-CG1 3.43Å; P484-I487 PolarHBondContact O-N 2.85Å; P484-I487 VanDerWaalsContact O-N 3.16Å; I487-L489 VanDerWaalsContact C-N 3.25Å; I487-L489 PolarHBondContact O-N 3.4Å; I487-F490 PolarHBondContact O-N 2.82Å; I487-S491 PolarHBondContact O-N 3.11Å; I487-S491 PolarHBondContact O-OG 3.14Å; I487-L509 HydrophobicContact CG2-CD2 4.11Å; I487-Y512 HydrophobicContact CD1-CD1 3.79Å; I487-Y512 HydrophobicContact CD1-CE1 4.07Å; I487-Y512 HydrophobicContact CD1-CG 4.3Å; I487-Y512 HydrophobicContact CG1-CD1 3.97Å; I487-Y512 HydrophobicContact CG1-CE1 3.85Å; I487-Y512 HydrophobicContact CG1-CE2 4.49Å; I487-Y512 HydrophobicContact CG1-CG 4.35Å; I487-L516 HydrophobicContact CD1-CB 3.66Å; I487-L516 HydrophobicContact CD1-CD1 4.49Å; I487-V521 HydrophobicContact CG2-CG2 3.49Å; I487-V521 VanDerWaalsContact CG2-CG2 3.49Å
488	P	95.4	Very high	94.7	Very high	89 Å²	89	37.1 Å²	37.1	58%	0.578	20%	0.195	S	C	*	.	H	α-helix	trans	-61.1	-36.3	174.5	-23.6	35.1	0	0	0	112.4	E485 S491 K492	E485-P488 WeakPolarHBondContact O-CD 3.46Å; P488-S491 PolarHBondContact O-N 3.02Å; P488-K492 PolarHBondContact O-N 3.28Å
489	L	95.6	Very high	94.2	Very high	19 Å²	19	37.5 Å²	37.5	10%	0.099	20%	0.198	C	C	.	.	H	α-helix	trans	-67.9	-45.5	178.7	-163	65.3	0	0	0	111.1	P462 L478 A486 I487 S491 K492 Y493	P462-L489 HydrophobicContact CB-CD2 4.21Å; P462-L489 HydrophobicContact CG-CD2 3.77Å; L478-L489 HydrophobicContact CD1-CD2 3.59Å; A486-L489 WeakPolarHBondContact O-CB 3.38Å; A486-L489 PolarHBondContact O-N 2.75Å; A486-L489 VanDerWaalsContact O-N 3.09Å; I487-L489 VanDerWaalsContact C-N 3.25Å; I487-L489 PolarHBondContact O-N 3.4Å; L489-S491 VanDerWaalsContact C-N 3.27Å; L489-S491 PolarHBondContact O-N 3.06Å; L489-K492 HydrophobicContact CD1-CD 4.4Å; L489-K492 WeakPolarHBondContact O-CB 3.39Å; L489-K492 PolarHBondContact O-N 2.85Å; L489-Y493 HydrophobicContact CD1-CD2 4.08Å; L489-Y493 HydrophobicContact CD1-CE2 3.66Å; L489-Y493 HydrophobicContact CG-CD2 3.92Å; L489-Y493 HydrophobicContact CG-CE2 3.86Å; L489-Y493 WeakPolarHBondContact O-CD2 3.49Å; L489-Y493 PolarHBondContact O-N 2.71Å
490	F	96.7	Very high	93.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-36.4	173.5	-69.8	-51.1	0	0	0	112.4	L475 L478 A486 I487 K492 Y493 A494 S505 A508 L509 Y512	L475-F490 HydrophobicContact CD2-CD1 4.2Å; L475-F490 HydrophobicContact CD2-CE1 4.06Å; L478-F490 HydrophobicContact CB-CE1 4.1Å; L478-F490 HydrophobicContact CB-CE2 4.2Å; L478-F490 HydrophobicContact CB-CZ 3.44Å; L478-F490 VanDerWaalsContact CB-CZ 3.44Å; A486-F490 HydrophobicContact CB-CD2 4.09Å; A486-F490 HydrophobicContact CB-CE2 3.72Å; A486-F490 HydrophobicContact CB-CZ 4.49Å; A486-F490 VanDerWaalsContact O-CD2 3.25Å; A486-F490 WeakPolarHBondContact O-CD2 3.01Å; A486-F490 PolarHBondContact O-N 2.94Å; I487-F490 PolarHBondContact O-N 2.82Å; F490-K492 VanDerWaalsContact C-N 3.35Å; F490-Y493 PolarHBondContact O-N 3.02Å; F490-A494 WeakPolarHBondContact O-CB 3Å; F490-A494 PolarHBondContact O-N 2.95Å; F490-S505 WeakPolarHBondContact O-CB 3.49Å; F490-A508 HydrophobicContact CD1-CB 4.02Å; F490-A508 HydrophobicContact CD2-CB 4.22Å; F490-A508 HydrophobicContact CE1-CB 3.63Å; F490-A508 HydrophobicContact CE2-CB 3.86Å; F490-A508 HydrophobicContact CG-CB 4.28Å; F490-A508 HydrophobicContact CZ-CB 3.52Å; F490-L509 HydrophobicContact CB-CD1 4.19Å; F490-L509 HydrophobicContact CB-CD2 3.9Å; F490-L509 HydrophobicContact CB-CG 3.82Å; F490-Y512 HydrophobicContact CD2-CE2 4.11Å; F490-Y512 AromaticContact CE2-CE2 3.92Å; F490-Y512 HydrophobicContact CE2-CE2 3.92Å; F490-Y512 WeakPolarHBondContact CE2-OH 3.38Å
491	S	94.8	Very high	93.6	Very high	16 Å²	16	39.4 Å²	39.4	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-40.3	175.1	-57.5	0	0	0	0	111.7	I487 P488 L489 T524	I487-S491 PolarHBondContact O-N 3.11Å; I487-S491 PolarHBondContact O-OG 3.14Å; P488-S491 PolarHBondContact O-N 3.02Å; L489-S491 VanDerWaalsContact C-N 3.27Å; L489-S491 PolarHBondContact O-N 3.06Å; S491-T524 WeakPolarHBondContact O-CG2 3.46Å
492	K	95.1	Very high	93.5	Very high	116 Å²	116	39.4 Å²	39.4	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-52.4	173.5	179.5	-169.2	179.7	-172.2	0	111.5	D463 P488 L489 F490 A494 E495	D463-K492 IonicContact OD1-NZ 3.56Å; D463-K492 PolarHBondContact OD1-NZ 2.98Å; D463-K492 IonicContact OD2-NZ 2.65Å; D463-K492 PolarHBondContact OD2-NZ 3.31Å; D463-K492 VanDerWaalsContact OD2-NZ 3.09Å; P488-K492 PolarHBondContact O-N 3.28Å; L489-K492 HydrophobicContact CD1-CD 4.4Å; L489-K492 WeakPolarHBondContact O-CB 3.39Å; L489-K492 PolarHBondContact O-N 2.85Å; F490-K492 VanDerWaalsContact C-N 3.35Å; K492-A494 VanDerWaalsContact C-N 3.32Å; K492-A494 PolarHBondContact O-N 3.29Å; K492-E495 PolarHBondContact O-N 3.17Å
493	Y	95.8	Very high	93.4	Very high	19 Å²	19	38.2 Å²	38.2	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-74.4	-19.1	-177.5	-77.5	-77.8	0	0	0	113.9	P462 D463 I471 L475 L489 F490 E495 S496 Y501 C502 S505	P462-Y493 HydrophobicContact CB-CE2 3.61Å; P462-Y493 VanDerWaalsContact CB-OH 3.28Å; P462-Y493 WeakPolarHBondContact CB-OH 3.28Å; P462-Y493 PolarHBondContact O-OH 2.83Å; D463-Y493 PolarHBondContact OD1-OH 2.85Å; D463-Y493 VanDerWaalsContact OD1-OH 3.07Å; I471-Y493 HydrophobicContact CG2-CD1 4.48Å; I471-Y493 HydrophobicContact CG2-CE1 3.87Å; L475-Y493 HydrophobicContact CD1-CD1 4.47Å; L475-Y493 HydrophobicContact CD1-CG 4.36Å; L475-Y493 HydrophobicContact CD2-CD2 3.93Å; L475-Y493 HydrophobicContact CD2-CE2 4.44Å; L475-Y493 HydrophobicContact CD2-CG 4.19Å; L489-Y493 HydrophobicContact CD1-CD2 4.08Å; L489-Y493 HydrophobicContact CD1-CE2 3.66Å; L489-Y493 HydrophobicContact CG-CD2 3.92Å; L489-Y493 HydrophobicContact CG-CE2 3.86Å; L489-Y493 WeakPolarHBondContact O-CD2 3.49Å; L489-Y493 PolarHBondContact O-N 2.71Å; F490-Y493 PolarHBondContact O-N 3.02Å; Y493-E495 PolarHBondContact O-N 3.02Å; Y493-S496 VanDerWaalsContact O-CB 3.23Å; Y493-S496 WeakPolarHBondContact O-CB 3.31Å; Y493-S496 PolarHBondContact O-N 3.19Å; Y493-S496 VanDerWaalsContact O-N 3.17Å; Y493-Y501 AromaticContact CD1-CD2 3.91Å; Y493-Y501 HydrophobicContact CD1-CD2 3.91Å; Y493-Y501 HydrophobicContact CD1-CG 4.34Å; Y493-Y501 HydrophobicContact CE1-CD2 4.23Å; Y493-C502 PolarHBondContact O-SG 2.79Å; Y493-S505 VanDerWaalsContact CB-OG 3.26Å; Y493-S505 WeakPolarHBondContact CB-OG 3.42Å
494	A	95.1	Very high	93.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-22.5	169.9	0	0	0	0	0	113	F490 K492 C502 L506 V528	F490-A494 WeakPolarHBondContact O-CB 3Å; F490-A494 PolarHBondContact O-N 2.95Å; K492-A494 VanDerWaalsContact C-N 3.32Å; K492-A494 PolarHBondContact O-N 3.29Å; A494-C502 PolarHBondContact O-SG 2.98Å; A494-L506 HydrophobicContact CB-CD2 3.98Å; A494-L506 HydrophobicContact CB-CG 4.17Å; A494-V528 WeakPolarHBondContact O-CG2 3.17Å
495	E	94.2	Very high	93.4	Very high	41 Å²	41	36 Å²	36	19%	0.192	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.7	175	-68.9	-169.2	168.1	0	0	113.6	K492 Y493 T524 R527 V528 R533 R534	K492-E495 PolarHBondContact O-N 3.17Å; Y493-E495 PolarHBondContact O-N 3.02Å; E495-T524 HydrophobicContact CG-CG2 3.79Å; E495-R527 IonicContact OE1-CZ 2.88Å; E495-R527 IonicContact OE1-NE 3.18Å; E495-R527 PolarHBondContact OE1-NE 3.35Å; E495-R527 IonicContact OE1-NH2 2.9Å; E495-R527 PolarHBondContact OE1-NH2 3.34Å; E495-R527 IonicContact OE2-NH2 3.09Å; E495-V528 HydrophobicContact CG-CG2 3.9Å; E495-R533 IonicContact OE1-NH1 2.93Å; E495-R533 IonicContact OE2-NH1 3.43Å; E495-R533 PolarHBondContact OE2-NH1 3.42Å; E495-R534 VanDerWaalsContact C-NH2 3.33Å; E495-R534 PolarHBondContact O-NE 3.36Å; E495-R534 PolarHBondContact O-NH2 3.22Å
496	S	91.8	Very high	93.5	Very high	29 Å²	29	31.4 Å²	31.4	20%	0.203	17%	0.171	C	C	.	.			trans	-69.1	141.7	-175	174.2	0	0	0	0	114.8	Y493 V498 Y501 C502 R534	Y493-S496 VanDerWaalsContact O-CB 3.23Å; Y493-S496 WeakPolarHBondContact O-CB 3.31Å; Y493-S496 PolarHBondContact O-N 3.19Å; Y493-S496 VanDerWaalsContact O-N 3.17Å; S496-V498 PolarHBondContact O-N 3.44Å; S496-V498 VanDerWaalsContact O-N 3.07Å; S496-Y501 WeakPolarHBondContact OG-CD2 3.3Å; S496-C502 PolarHBondContact O-SG 3.09Å; S496-R534 PolarHBondContact O-NH2 2.97Å
497	E	87.6	Confident	93.4	Very high	176 Å²	176	32.3 Å²	32.3	82%	0.822	18%	0.176	S	C	*	.	S	Bend	trans	-54.7	-32.8	-178.9	-65.6	-177	172.6	0	0	114.1	G499	E497-G499 PolarHBondContact O-N 2.97Å
498	V	88.6	Confident	93.3	Very high	54 Å²	54	31.7 Å²	31.7	33%	0.327	17%	0.173	S	C	.	.	S	Bend	trans	-75.2	113.1	175.7	-175.1	0	0	0	0	111.5	S496 A500 Y501 C502	S496-V498 PolarHBondContact O-N 3.44Å; S496-V498 VanDerWaalsContact O-N 3.07Å; V498-A500 VanDerWaalsContact C-N 3.32Å; V498-A500 HydrophobicContact CG1-CB 4.27Å; V498-A500 PolarHBondContact O-N 2.95Å; V498-Y501 HydrophobicContact CB-CD1 4.31Å; V498-Y501 HydrophobicContact CB-CD2 3.65Å; V498-Y501 HydrophobicContact CB-CE1 4.36Å; V498-Y501 HydrophobicContact CB-CE2 3.7Å; V498-Y501 HydrophobicContact CB-CG 3.92Å; V498-Y501 HydrophobicContact CG1-CD1 3.95Å; V498-Y501 HydrophobicContact CG1-CD2 4.19Å; V498-Y501 HydrophobicContact CG1-CE1 3.88Å; V498-Y501 HydrophobicContact CG1-CE2 4.12Å; V498-Y501 HydrophobicContact CG1-CG 4.07Å; V498-Y501 HydrophobicContact CG2-CD2 4.09Å; V498-Y501 HydrophobicContact CG2-CE2 3.67Å; V498-Y501 PolarHBondContact O-N 3.17Å; V498-Y501 VanDerWaalsContact O-N 3.11Å; V498-C502 PolarHBondContact O-N 2.92Å
499	G	86.6	Confident	93.4	Very high	7 Å²	7	27.5 Å²	27.5	7%	0.072	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-38.3	-178.6	0	0	0	0	0	114.4	E497 Y501 C502 T503 E537	E497-G499 PolarHBondContact O-N 2.97Å; G499-Y501 VanDerWaalsContact C-N 3.3Å; G499-Y501 PolarHBondContact O-N 2.71Å; G499-C502 WeakPolarHBondContact O-CB 3.31Å; G499-C502 PolarHBondContact O-N 2.82Å; G499-C502 VanDerWaalsContact O-N 3.11Å; G499-T503 PolarHBondContact O-N 3.3Å; G499-T503 PolarHBondContact O-OG1 3.15Å; G499-E537 WeakPolarHBondContact CA-OE1 3.49Å
500	A	88	Confident	93.2	Very high	40 Å²	40	30.1 Å²	30.1	33%	0.331	16%	0.157	S	C	.	.	H	α-helix	trans	-59	-38	177.1	0	0	0	0	0	113	V498 T503 I504	V498-A500 VanDerWaalsContact C-N 3.32Å; V498-A500 HydrophobicContact CG1-CB 4.27Å; V498-A500 PolarHBondContact O-N 2.95Å; A500-T503 PolarHBondContact O-N 2.93Å; A500-I504 VanDerWaalsContact O-CG1 3.28Å; A500-I504 WeakPolarHBondContact O-CG1 3.39Å; A500-I504 PolarHBondContact O-N 3.5Å
501	Y	93.9	Very high	92.9	Very high	11 Å²	11	32.6 Å²	32.6	4%	0.043	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-40.1	177	-57	-12.3	0	0	0	111	V468 I471 Q472 L475 Y493 S496 V498 G499 S505	V468-Y501 WeakPolarHBondContact CA-OH 3.48Å; V468-Y501 WeakPolarHBondContact CB-OH 3.44Å; V468-Y501 HydrophobicContact CG1-CE1 3.94Å; V468-Y501 WeakPolarHBondContact CG1-OH 3.44Å; V468-Y501 WeakPolarHBondContact CG2-OH 3.25Å; I471-Y501 HydrophobicContact CB-CE1 4.12Å; I471-Y501 HydrophobicContact CD1-CE2 4.12Å; I471-Y501 HydrophobicContact CG2-CD1 4.22Å; I471-Y501 HydrophobicContact CG2-CD2 4.32Å; I471-Y501 HydrophobicContact CG2-CE1 3.98Å; I471-Y501 HydrophobicContact CG2-CE2 4.11Å; I471-Y501 HydrophobicContact CG2-CG 4.41Å; Q472-Y501 HydrophobicContact CG-CD1 3.95Å; Q472-Y501 HydrophobicContact CG-CE1 3.77Å; L475-Y501 HydrophobicContact CD1-CD1 4.25Å; L475-Y501 HydrophobicContact CD1-CG 4.24Å; Y493-Y501 AromaticContact CD1-CD2 3.91Å; Y493-Y501 HydrophobicContact CD1-CD2 3.91Å; Y493-Y501 HydrophobicContact CD1-CG 4.34Å; Y493-Y501 HydrophobicContact CE1-CD2 4.23Å; S496-Y501 WeakPolarHBondContact OG-CD2 3.3Å; V498-Y501 HydrophobicContact CB-CD1 4.31Å; V498-Y501 HydrophobicContact CB-CD2 3.65Å; V498-Y501 HydrophobicContact CB-CE1 4.36Å; V498-Y501 HydrophobicContact CB-CE2 3.7Å; V498-Y501 HydrophobicContact CB-CG 3.92Å; V498-Y501 HydrophobicContact CG1-CD1 3.95Å; V498-Y501 HydrophobicContact CG1-CD2 4.19Å; V498-Y501 HydrophobicContact CG1-CE1 3.88Å; V498-Y501 HydrophobicContact CG1-CE2 4.12Å; V498-Y501 HydrophobicContact CG1-CG 4.07Å; V498-Y501 HydrophobicContact CG2-CD2 4.09Å; V498-Y501 HydrophobicContact CG2-CE2 3.67Å; V498-Y501 PolarHBondContact O-N 3.17Å; V498-Y501 VanDerWaalsContact O-N 3.11Å; G499-Y501 VanDerWaalsContact C-N 3.3Å; G499-Y501 PolarHBondContact O-N 2.71Å; Y501-S505 VanDerWaalsContact O-CB 3.26Å; Y501-S505 WeakPolarHBondContact O-CB 3.38Å; Y501-S505 PolarHBondContact O-N 3.3Å; Y501-S505 PolarHBondContact O-OG 2.98Å
502	C	93.9	Very high	92.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-49.2	176.9	-62.8	0	0	0	0	110.9	Y493 A494 S496 V498 G499 S505 L506 V540	Y493-C502 PolarHBondContact O-SG 2.79Å; A494-C502 PolarHBondContact O-SG 2.98Å; S496-C502 PolarHBondContact O-SG 3.09Å; V498-C502 PolarHBondContact O-N 2.92Å; G499-C502 WeakPolarHBondContact O-CB 3.31Å; G499-C502 PolarHBondContact O-N 2.82Å; G499-C502 VanDerWaalsContact O-N 3.11Å; C502-S505 PolarHBondContact O-N 3.43Å; C502-L506 WeakPolarHBondContact O-CB 3.37Å; C502-L506 VanDerWaalsContact O-CG 3.25Å; C502-L506 WeakPolarHBondContact O-CG 3.48Å; C502-L506 PolarHBondContact O-N 3.35Å; C502-V540 HydrophobicContact CB-CB 4.29Å; C502-V540 HydrophobicContact CB-CG1 3.54Å; C502-V540 HydrophobicContact CB-CG2 3.7Å
503	T	92.2	Very high	92.6	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-45.2	-179.2	-58.4	0	0	0	0	112	G499 A500 S505 T507	G499-T503 PolarHBondContact O-N 3.3Å; G499-T503 PolarHBondContact O-OG1 3.15Å; A500-T503 PolarHBondContact O-N 2.93Å; T503-S505 VanDerWaalsContact C-N 3.31Å; T503-S505 PolarHBondContact O-N 3.22Å; T503-T507 HydrophobicContact CG2-CG2 4.31Å; T503-T507 WeakPolarHBondContact O-CB 3.35Å; T503-T507 VanDerWaalsContact O-CG2 3.23Å; T503-T507 WeakPolarHBondContact O-CG2 3.42Å; T503-T507 PolarHBondContact O-N 3.32Å; T503-T507 PolarHBondContact O-OG1 3Å
504	I	94.1	Very high	92.2	Very high	22 Å²	22	34.3 Å²	34.3	11%	0.113	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-44.1	176.1	-64.7	164.8	0	0	0	110.1	Q472 L475 L476 A500 T507 A508	Q472-I504 HydrophobicContact CB-CD1 4.03Å; Q472-I504 HydrophobicContact CG-CD1 3.94Å; L475-I504 HydrophobicContact CB-CB 4.44Å; L475-I504 HydrophobicContact CB-CG2 3.63Å; L476-I504 HydrophobicContact CD2-CD1 4.37Å; L476-I504 HydrophobicContact CD2-CG1 4.31Å; L476-I504 HydrophobicContact CD2-CG2 4.09Å; L476-I504 HydrophobicContact CG-CD1 4.25Å; L476-I504 HydrophobicContact CG-CG2 4.36Å; A500-I504 VanDerWaalsContact O-CG1 3.28Å; A500-I504 WeakPolarHBondContact O-CG1 3.39Å; A500-I504 PolarHBondContact O-N 3.5Å; I504-T507 PolarHBondContact O-OG1 2.89Å; I504-A508 VanDerWaalsContact O-CB 3.23Å; I504-A508 WeakPolarHBondContact O-CB 3.48Å; I504-A508 PolarHBondContact O-N 3.26Å
505	S	96.4	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-44.7	-177.7	-57.5	0	0	0	0	112.8	F490 Y493 Y501 C502 T503 A508 L509	F490-S505 WeakPolarHBondContact O-CB 3.49Å; Y493-S505 VanDerWaalsContact CB-OG 3.26Å; Y493-S505 WeakPolarHBondContact CB-OG 3.42Å; Y501-S505 VanDerWaalsContact O-CB 3.26Å; Y501-S505 WeakPolarHBondContact O-CB 3.38Å; Y501-S505 PolarHBondContact O-N 3.3Å; Y501-S505 PolarHBondContact O-OG 2.98Å; C502-S505 PolarHBondContact O-N 3.43Å; T503-S505 VanDerWaalsContact C-N 3.31Å; T503-S505 PolarHBondContact O-N 3.22Å; S505-A508 WeakPolarHBondContact O-CB 3.34Å; S505-A508 PolarHBondContact O-N 3.39Å; S505-L509 WeakPolarHBondContact O-CG 3.43Å; S505-L509 PolarHBondContact O-N 2.8Å
506	L	96	Very high	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-44.1	178.3	-68.7	166.7	0	0	0	111.4	A494 C502 A508 L509 Q510 V525 V528 V540 A543 A544 V547	A494-L506 HydrophobicContact CB-CD2 3.98Å; A494-L506 HydrophobicContact CB-CG 4.17Å; C502-L506 WeakPolarHBondContact O-CB 3.37Å; C502-L506 VanDerWaalsContact O-CG 3.25Å; C502-L506 WeakPolarHBondContact O-CG 3.48Å; C502-L506 PolarHBondContact O-N 3.35Å; L506-A508 PolarHBondContact O-N 3.25Å; L506-L509 PolarHBondContact O-N 3.08Å; L506-Q510 PolarHBondContact O-N 3.45Å; L506-V525 HydrophobicContact CD2-CG1 4.47Å; L506-V525 HydrophobicContact CD2-CG2 4.13Å; L506-V528 HydrophobicContact CD1-CG1 4.3Å; L506-V540 HydrophobicContact CD1-CG1 3.79Å; L506-V540 VanDerWaalsContact CD1-O 3.29Å; L506-V540 WeakPolarHBondContact CD1-O 3.33Å; L506-A543 HydrophobicContact CB-CB 3.84Å; L506-A543 HydrophobicContact CD1-CB 4Å; L506-A544 HydrophobicContact CD1-CB 4.02Å; L506-A544 HydrophobicContact CD2-CB 4.16Å; L506-V547 HydrophobicContact CB-CG2 4.37Å; L506-V547 HydrophobicContact CD2-CG2 4.49Å; L506-V547 WeakPolarHBondContact O-CG2 3.23Å
507	T	93.4	Very high	92	Very high	19 Å²	19	39 Å²	39	12%	0.117	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-23.3	175.3	62.7	0	0	0	0	112.6	K479 T503 I504 R511	K479-T507 PolarHBondContact NZ-OG1 3.5Å; K479-T507 VanDerWaalsContact NZ-OG1 3.09Å; T503-T507 HydrophobicContact CG2-CG2 4.31Å; T503-T507 WeakPolarHBondContact O-CB 3.35Å; T503-T507 VanDerWaalsContact O-CG2 3.23Å; T503-T507 WeakPolarHBondContact O-CG2 3.42Å; T503-T507 PolarHBondContact O-N 3.32Å; T503-T507 PolarHBondContact O-OG1 3Å; I504-T507 PolarHBondContact O-OG1 2.89Å; T507-R511 WeakPolarHBondContact O-CG 3.39Å
508	A	94.9	Very high	92.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-73.1	-47.2	169.7	0	0	0	0	0	111.5	K479 F490 I504 S505 L506 Q510 R511 Y512	K479-A508 HydrophobicContact CB-CB 3.83Å; K479-A508 HydrophobicContact CD-CB 4.2Å; K479-A508 HydrophobicContact CG-CB 3.77Å; F490-A508 HydrophobicContact CD1-CB 4.02Å; F490-A508 HydrophobicContact CD2-CB 4.22Å; F490-A508 HydrophobicContact CE1-CB 3.63Å; F490-A508 HydrophobicContact CE2-CB 3.86Å; F490-A508 HydrophobicContact CG-CB 4.28Å; F490-A508 HydrophobicContact CZ-CB 3.52Å; I504-A508 VanDerWaalsContact O-CB 3.23Å; I504-A508 WeakPolarHBondContact O-CB 3.48Å; I504-A508 PolarHBondContact O-N 3.26Å; S505-A508 WeakPolarHBondContact O-CB 3.34Å; S505-A508 PolarHBondContact O-N 3.39Å; L506-A508 PolarHBondContact O-N 3.25Å; A508-Q510 PolarHBondContact O-N 3.25Å; A508-R511 WeakPolarHBondContact O-CB 3.22Å; A508-R511 PolarHBondContact O-N 2.84Å; A508-Y512 VanDerWaalsContact O-CD2 3.25Å; A508-Y512 WeakPolarHBondContact O-CD2 3.3Å
509	L	95.7	Very high	92.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-56.3	-37.1	176.4	-74.2	170.6	0	0	0	112.2	I487 F490 S505 L506 R511 Y512 I517 V521 V525 V547	I487-L509 HydrophobicContact CG2-CD2 4.11Å; F490-L509 HydrophobicContact CB-CD1 4.19Å; F490-L509 HydrophobicContact CB-CD2 3.9Å; F490-L509 HydrophobicContact CB-CG 3.82Å; S505-L509 WeakPolarHBondContact O-CG 3.43Å; S505-L509 PolarHBondContact O-N 2.8Å; L506-L509 PolarHBondContact O-N 3.08Å; L509-R511 PolarHBondContact O-N 3.26Å; L509-R511 VanDerWaalsContact O-N 3.12Å; L509-Y512 PolarHBondContact O-N 3.25Å; L509-I517 HydrophobicContact CD2-CD1 4.35Å; L509-V521 HydrophobicContact CD1-CG1 4.09Å; L509-V521 HydrophobicContact CD2-CG1 4.05Å; L509-V525 HydrophobicContact CD1-CG2 4.42Å; L509-V547 HydrophobicContact CB-CG1 4.32Å; L509-V547 HydrophobicContact CB-CG2 4.3Å
510	Q	92.1	Very high	92.7	Very high	73 Å²	73	42.3 Å²	42.3	34%	0.341	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.8	176.7	-165	-176.1	5.5	0	0	113.7	L506 A508 V547	L506-Q510 PolarHBondContact O-N 3.45Å; A508-Q510 PolarHBondContact O-N 3.25Å; Q510-V547 HydrophobicContact CB-CG2 4.04Å
511	R	91.2	Very high	93	Very high	53 Å²	53	40.6 Å²	40.6	20%	0.2	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.6	-177.1	-60.1	-177.4	70.1	-169.7	6.8	114.1	K479 L482 T507 A508 L509 D699	K479-R511 PolarHBondContact O-NH1 3.43Å; L482-R511 HydrophobicContact CD2-CB 3.76Å; T507-R511 WeakPolarHBondContact O-CG 3.39Å; A508-R511 WeakPolarHBondContact O-CB 3.22Å; A508-R511 PolarHBondContact O-N 2.84Å; L509-R511 PolarHBondContact O-N 3.26Å; L509-R511 VanDerWaalsContact O-N 3.12Å; R511-D699 PolarHBondContact NH2-O 3.14Å
512	Y	92.8	Very high	93	Very high	17 Å²	17	41.3 Å²	41.3	7%	0.067	23%	0.225	C	C	.	.	S	Bend	trans	-74.6	154.4	-179.3	-77.4	-95.9	0	0	0	111.2	L482 L483 I487 F490 A508 L509 V514 L516	L482-Y512 WeakPolarHBondContact CA-OH 3.15Å; L482-Y512 HydrophobicContact CB-CE1 4.39Å; L482-Y512 HydrophobicContact CD2-CD2 4.31Å; L482-Y512 HydrophobicContact CD2-CE2 3.97Å; L483-Y512 PolarHBondContact N-OH 2.89Å; L483-Y512 WeakPolarHBondContact O-CE1 3.45Å; L483-Y512 PolarHBondContact O-OH 2.95Å; I487-Y512 HydrophobicContact CD1-CD1 3.79Å; I487-Y512 HydrophobicContact CD1-CE1 4.07Å; I487-Y512 HydrophobicContact CD1-CG 4.3Å; I487-Y512 HydrophobicContact CG1-CD1 3.97Å; I487-Y512 HydrophobicContact CG1-CE1 3.85Å; I487-Y512 HydrophobicContact CG1-CE2 4.49Å; I487-Y512 HydrophobicContact CG1-CG 4.35Å; F490-Y512 HydrophobicContact CD2-CE2 4.11Å; F490-Y512 AromaticContact CE2-CE2 3.92Å; F490-Y512 HydrophobicContact CE2-CE2 3.92Å; F490-Y512 WeakPolarHBondContact CE2-OH 3.38Å; A508-Y512 VanDerWaalsContact O-CD2 3.25Å; A508-Y512 WeakPolarHBondContact O-CD2 3.3Å; L509-Y512 PolarHBondContact O-N 3.25Å; Y512-V514 PolarHBondContact O-N 3.16Å; Y512-L516 HydrophobicContact CD1-CD1 4Å
513	D	89.3	Confident	93.1	Very high	109 Å²	109	46.9 Å²	46.9	58%	0.583	25%	0.251	S	S	*	.			trans	-58.1	136.7	168.6	-167.1	-49.4	0	0	0	109.3	A515 L516	D513-A515 PolarHBondContact O-N 2.93Å; D513-A515 VanDerWaalsContact O-N 3.1Å; D513-A515 WeakPolarHBondContact OD1-CB 3.24Å; D513-A515 PolarHBondContact OD1-N 3.21Å; D513-L516 HydrophobicContact CB-CD1 4.46Å; D513-L516 WeakPolarHBondContact O-CB 3.43Å; D513-L516 PolarHBondContact O-N 2.86Å
514	V	88.8	Confident	93.2	Very high	61 Å²	61	47.1 Å²	47.1	37%	0.37	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-53.2	-32.1	178.3	-179	0	0	0	0	111.9	Y512 L516 I517 S550 N552	Y512-V514 PolarHBondContact O-N 3.16Å; V514-L516 PolarHBondContact O-N 3.09Å; V514-I517 PolarHBondContact O-N 3.38Å; V514-S550 WeakPolarHBondContact CG2-O 3.46Å; V514-N552 HydrophobicContact CG1-CB 3.56Å
515	A	90.6	Very high	93.3	Very high	87 Å²	87	46.2 Å²	46.2	72%	0.719	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-63.2	-22.5	177.2	0	0	0	0	0	113.9	D513	D513-A515 PolarHBondContact O-N 2.93Å; D513-A515 VanDerWaalsContact O-N 3.1Å; D513-A515 WeakPolarHBondContact OD1-CB 3.24Å; D513-A515 PolarHBondContact OD1-N 3.21Å
516	L	92.8	Very high	93.2	Very high	68 Å²	68	47.1 Å²	47.1	36%	0.356	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-91.9	-11.2	179.1	-61.6	174.3	0	0	0	113	P484 I487 Y512 D513 V514 T518	P484-L516 HydrophobicContact CB-CD1 4.49Å; P484-L516 HydrophobicContact CG-CD1 4.2Å; I487-L516 HydrophobicContact CD1-CB 3.66Å; I487-L516 HydrophobicContact CD1-CD1 4.49Å; Y512-L516 HydrophobicContact CD1-CD1 4Å; D513-L516 HydrophobicContact CB-CD1 4.46Å; D513-L516 WeakPolarHBondContact O-CB 3.43Å; D513-L516 PolarHBondContact O-N 2.86Å; V514-L516 PolarHBondContact O-N 3.09Å; L516-T518 PolarHBondContact O-N 3.27Å
517	I	93.1	Very high	93.2	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.062	26%	0.261	C	S	.	.			trans	-85	91.9	178.6	-54.6	-58.3	0	0	0	109.3	L509 V514 V521 K522	L509-I517 HydrophobicContact CD2-CD1 4.35Å; V514-I517 PolarHBondContact O-N 3.38Å; I517-V521 HydrophobicContact CG2-CB 4.18Å; I517-V521 HydrophobicContact CG2-CG1 4.01Å; I517-K522 HydrophobicContact CG2-CG 3.99Å
518	T	92.8	Very high	93.3	Very high	58 Å²	58	48.6 Å²	48.6	36%	0.356	26%	0.256	S	S	.	.			trans	-71	166	-179.3	73	0	0	0	0	112.6	L516 E520 V521 K522	L516-T518 PolarHBondContact O-N 3.27Å; T518-E520 PolarHBondContact O-N 3.06Å; T518-E520 PolarHBondContact OG1-N 3.37Å; T518-E520 PolarHBondContact OG1-OE2 2.77Å; T518-V521 WeakPolarHBondContact O-CB 3.48Å; T518-V521 PolarHBondContact O-N 3.31Å; T518-V521 VanDerWaalsContact O-N 3.14Å; T518-K522 WeakPolarHBondContact O-CG 3.13Å; T518-K522 PolarHBondContact O-N 3.23Å
519	D	92.1	Very high	93.4	Very high	116 Å²	116	48.6 Å²	48.6	62%	0.62	26%	0.256	S	S	*	.	H	α-helix	trans	-60.9	-29.3	175.8	-68.1	-29	0	0	0	112.5	K522 Q523	D519-K522 PolarHBondContact O-N 3.44Å; D519-Q523 WeakPolarHBondContact O-CB 3.33Å; D519-Q523 VanDerWaalsContact O-CG 3.26Å; D519-Q523 WeakPolarHBondContact O-CG 3.37Å; D519-Q523 PolarHBondContact O-N 2.88Å
520	E	93.1	Very high	93.3	Very high	133 Å²	133	51 Å²	51	62%	0.621	27%	0.267	S	S	*	.	H	α-helix	trans	-67.4	-40.6	175.4	-58.7	122	168.5	0	0	111.8	T518 Q523 T524	T518-E520 PolarHBondContact O-N 3.06Å; T518-E520 PolarHBondContact OG1-N 3.37Å; T518-E520 PolarHBondContact OG1-OE2 2.77Å; E520-Q523 PolarHBondContact O-N 2.81Å; E520-T524 PolarHBondContact O-N 3.24Å; E520-T524 PolarHBondContact O-OG1 3.17Å
521	V	94.3	Very high	93.4	Very high	5 Å²	5	50 Å²	50	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-47.8	174.5	-178.4	0	0	0	0	109.1	I487 L509 I517 T518 Q523 T524 V525	I487-V521 HydrophobicContact CG2-CG2 3.49Å; I487-V521 VanDerWaalsContact CG2-CG2 3.49Å; L509-V521 HydrophobicContact CD1-CG1 4.09Å; L509-V521 HydrophobicContact CD2-CG1 4.05Å; I517-V521 HydrophobicContact CG2-CB 4.18Å; I517-V521 HydrophobicContact CG2-CG1 4.01Å; T518-V521 WeakPolarHBondContact O-CB 3.48Å; T518-V521 PolarHBondContact O-N 3.31Å; T518-V521 VanDerWaalsContact O-N 3.14Å; V521-Q523 VanDerWaalsContact C-N 3.35Å; V521-Q523 PolarHBondContact O-N 3.49Å; V521-T524 WeakPolarHBondContact O-CB 3.31Å; V521-T524 PolarHBondContact O-N 3.44Å; V521-T524 VanDerWaalsContact O-N 3.09Å; V521-V525 HydrophobicContact CG1-CG2 4.31Å; V521-V525 WeakPolarHBondContact O-CG2 3.34Å; V521-V525 PolarHBondContact O-N 3.02Å
522	K	94.3	Very high	93.4	Very high	26 Å²	26	52.8 Å²	52.8	11%	0.113	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-45.3	177	-70	-178.1	178	-173.3	0	112.1	I517 T518 D519 T524 V525 N526 S551 N552	I517-K522 HydrophobicContact CG2-CG 3.99Å; T518-K522 WeakPolarHBondContact O-CG 3.13Å; T518-K522 PolarHBondContact O-N 3.23Å; D519-K522 PolarHBondContact O-N 3.44Å; K522-T524 VanDerWaalsContact C-N 3.28Å; K522-T524 PolarHBondContact O-N 2.96Å; K522-V525 PolarHBondContact O-N 2.86Å; K522-N526 WeakPolarHBondContact O-CB 3.47Å; K522-N526 PolarHBondContact O-N 3.44Å; K522-N526 PolarHBondContact O-ND2 3.04Å; K522-S551 WeakPolarHBondContact CE-O 3.3Å; K522-S551 PolarHBondContact NZ-O 2.96Å; K522-N552 PolarHBondContact NZ-O 2.95Å
523	Q	94.6	Very high	93.3	Very high	116 Å²	116	59.9 Å²	59.9	54%	0.542	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-41.6	176.1	-75.7	175.7	15	0	0	111.8	D519 E520 V521 N526 R527	D519-Q523 WeakPolarHBondContact O-CB 3.33Å; D519-Q523 VanDerWaalsContact O-CG 3.26Å; D519-Q523 WeakPolarHBondContact O-CG 3.37Å; D519-Q523 PolarHBondContact O-N 2.88Å; E520-Q523 PolarHBondContact O-N 2.81Å; V521-Q523 VanDerWaalsContact C-N 3.35Å; V521-Q523 PolarHBondContact O-N 3.49Å; Q523-N526 PolarHBondContact O-N 2.72Å; Q523-R527 WeakPolarHBondContact O-CG 3.48Å; Q523-R527 PolarHBondContact O-N 2.97Å
524	T	95.3	Very high	93.3	Very high	14 Å²	14	58 Å²	58	9%	0.086	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-49.2	177.4	-56.6	0	0	0	0	111.5	S491 E495 E520 V521 K522 N526 R527 V528	S491-T524 WeakPolarHBondContact O-CG2 3.46Å; E495-T524 HydrophobicContact CG-CG2 3.79Å; E520-T524 PolarHBondContact O-N 3.24Å; E520-T524 PolarHBondContact O-OG1 3.17Å; V521-T524 WeakPolarHBondContact O-CB 3.31Å; V521-T524 PolarHBondContact O-N 3.44Å; V521-T524 VanDerWaalsContact O-N 3.09Å; K522-T524 VanDerWaalsContact C-N 3.28Å; K522-T524 PolarHBondContact O-N 2.96Å; T524-N526 VanDerWaalsContact C-N 3.32Å; T524-N526 PolarHBondContact O-N 2.78Å; T524-R527 WeakPolarHBondContact O-CB 3.12Å; T524-R527 PolarHBondContact O-N 3.46Å; T524-R527 VanDerWaalsContact O-N 3.15Å; T524-R527 PolarHBondContact OG1-NH2 3.42Å; T524-V528 WeakPolarHBondContact O-CG2 3.21Å; T524-V528 PolarHBondContact O-N 3.42Å; T524-V528 VanDerWaalsContact O-N 3.09Å
525	V	95.5	Very high	93.4	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-41.6	177.3	177.5	0	0	0	0	111.4	L506 L509 V521 K522 R527 V528 Y529 A544 V547 V548	L506-V525 HydrophobicContact CD2-CG1 4.47Å; L506-V525 HydrophobicContact CD2-CG2 4.13Å; L509-V525 HydrophobicContact CD1-CG2 4.42Å; V521-V525 HydrophobicContact CG1-CG2 4.31Å; V521-V525 WeakPolarHBondContact O-CG2 3.34Å; V521-V525 PolarHBondContact O-N 3.02Å; K522-V525 PolarHBondContact O-N 2.86Å; V525-R527 PolarHBondContact O-N 2.99Å; V525-V528 PolarHBondContact O-N 2.92Å; V525-Y529 PolarHBondContact O-N 3.32Å; V525-A544 HydrophobicContact CG1-CB 3.87Å; V525-A544 WeakPolarHBondContact CG1-O 3.25Å; V525-V547 HydrophobicContact CG1-CB 3.99Å; V525-V547 HydrophobicContact CG1-CG1 4.14Å; V525-V547 HydrophobicContact CG2-CB 4.49Å; V525-V547 HydrophobicContact CG2-CG1 3.92Å; V525-V548 HydrophobicContact CG1-CG2 3.65Å
526	N	95.7	Very high	93.3	Very high	19 Å²	19	56 Å²	56	10%	0.102	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-40.7	175.5	-82	-76.8	0	0	0	111.9	K522 Q523 T524 V528 Y529 H530 E557	K522-N526 WeakPolarHBondContact O-CB 3.47Å; K522-N526 PolarHBondContact O-N 3.44Å; K522-N526 PolarHBondContact O-ND2 3.04Å; Q523-N526 PolarHBondContact O-N 2.72Å; T524-N526 VanDerWaalsContact C-N 3.32Å; T524-N526 PolarHBondContact O-N 2.78Å; N526-V528 VanDerWaalsContact C-N 3.31Å; N526-V528 PolarHBondContact O-N 3.07Å; N526-Y529 PolarHBondContact O-N 3.37Å; N526-H530 WeakPolarHBondContact O-CB 3.09Å; N526-H530 PolarHBondContact O-CD2 3.27Å; N526-H530 VanDerWaalsContact O-CD2 3.29Å; N526-H530 PolarHBondContact O-N 3.43Å; N526-E557 PolarHBondContact ND2-OE1 2.7Å
527	R	95.5	Very high	93.1	Very high	50 Å²	50	54.7 Å²	54.7	19%	0.189	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-39.3	175.9	-75	-170.7	-53.9	-93.8	1.3	112.5	E495 Q523 T524 V525 Q531 N532	E495-R527 IonicContact OE1-CZ 2.88Å; E495-R527 IonicContact OE1-NE 3.18Å; E495-R527 PolarHBondContact OE1-NE 3.35Å; E495-R527 IonicContact OE1-NH2 2.9Å; E495-R527 PolarHBondContact OE1-NH2 3.34Å; E495-R527 IonicContact OE2-NH2 3.09Å; Q523-R527 WeakPolarHBondContact O-CG 3.48Å; Q523-R527 PolarHBondContact O-N 2.97Å; T524-R527 WeakPolarHBondContact O-CB 3.12Å; T524-R527 PolarHBondContact O-N 3.46Å; T524-R527 VanDerWaalsContact O-N 3.15Å; T524-R527 PolarHBondContact OG1-NH2 3.42Å; V525-R527 PolarHBondContact O-N 2.99Å; R527-Q531 WeakPolarHBondContact O-CA 3.41Å; R527-Q531 PolarHBondContact O-N 3.25Å; R527-N532 WeakPolarHBondContact CA-OD1 3.49Å; R527-N532 HydrophobicContact CG-CB 4.44Å; R527-N532 PolarHBondContact O-N 2.9Å
528	V	95.6	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-48.1	175.7	174.3	0	0	0	0	110.6	A494 E495 L506 T524 V525 N526 Q531 Y536 V540 A544	A494-V528 WeakPolarHBondContact O-CG2 3.17Å; E495-V528 HydrophobicContact CG-CG2 3.9Å; L506-V528 HydrophobicContact CD1-CG1 4.3Å; T524-V528 WeakPolarHBondContact O-CG2 3.21Å; T524-V528 PolarHBondContact O-N 3.42Å; T524-V528 VanDerWaalsContact O-N 3.09Å; V525-V528 PolarHBondContact O-N 2.92Å; N526-V528 VanDerWaalsContact C-N 3.31Å; N526-V528 PolarHBondContact O-N 3.07Å; V528-Q531 PolarHBondContact O-N 2.93Å; V528-Y536 HydrophobicContact CB-CE1 4.36Å; V528-Y536 HydrophobicContact CG1-CD1 3.89Å; V528-Y536 HydrophobicContact CG1-CE1 3.96Å; V528-Y536 HydrophobicContact CG1-CG 4.17Å; V528-Y536 HydrophobicContact CG2-CE1 3.94Å; V528-V540 HydrophobicContact CG1-CG1 3.61Å; V528-A544 HydrophobicContact CB-CB 4.29Å; V528-A544 HydrophobicContact CG1-CB 3.97Å
529	Y	95.8	Very high	92.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-48.2	-179.9	178.7	-104	0	0	0	113	V525 N526 Q531 R541 A545 V561 S564 M576	V525-Y529 PolarHBondContact O-N 3.32Å; N526-Y529 PolarHBondContact O-N 3.37Å; Y529-Q531 VanDerWaalsContact C-N 3.34Å; Y529-R541 HydrophobicContact CD2-CB 4.47Å; Y529-R541 WeakPolarHBondContact CD2-O 3.23Å; Y529-R541 PolarHBondContact O-NE 2.88Å; Y529-R541 PolarHBondContact O-NH2 3.4Å; Y529-R541 VanDerWaalsContact O-NH2 3.11Å; Y529-A545 HydrophobicContact CD2-CB 3.89Å; Y529-A545 HydrophobicContact CE2-CB 3.79Å; Y529-V561 HydrophobicContact CD1-CG2 4.18Å; Y529-V561 HydrophobicContact CE1-CB 4.31Å; Y529-V561 HydrophobicContact CE1-CG1 4.28Å; Y529-V561 HydrophobicContact CE1-CG2 3.82Å; Y529-S564 PolarHBondContact OH-OG 3.5Å; Y529-M576 HydrophobicContact CE2-CE 3.97Å; Y529-M576 HydrophobicContact CE2-CG 4.4Å; Y529-M576 HydrophobicContact CE2-SD 3.76Å; Y529-M576 VanDerWaalsContact OH-CE 3.32Å; Y529-M576 WeakPolarHBondContact OH-CE 3.25Å
530	H	95.4	Very high	92.6	Very high	51 Å²	51	47 Å²	47	24%	0.236	22%	0.218	C	C	.	.	H	α-helix	trans	-84.8	-3.7	-176.9	-68.5	-61	0	0	0	114.1	N526 N532	N526-H530 WeakPolarHBondContact O-CB 3.09Å; N526-H530 PolarHBondContact O-CD2 3.27Å; N526-H530 VanDerWaalsContact O-CD2 3.29Å; N526-H530 PolarHBondContact O-N 3.43Å; H530-N532 VanDerWaalsContact C-N 3.28Å; H530-N532 PolarHBondContact O-N 3.09Å
531	Q	92.7	Very high	92.7	Very high	54 Å²	54	41.4 Å²	41.4	25%	0.252	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	37.8	177.4	-54.3	-171.8	-69.4	0	0	113.3	R527 V528 Y529 R533 R534 Y536 R541	R527-Q531 WeakPolarHBondContact O-CA 3.41Å; R527-Q531 PolarHBondContact O-N 3.25Å; V528-Q531 PolarHBondContact O-N 2.93Å; Y529-Q531 VanDerWaalsContact C-N 3.34Å; Q531-R533 PolarHBondContact O-N 3.44Å; Q531-R533 VanDerWaalsContact O-N 3.17Å; Q531-R534 WeakPolarHBondContact CA-O 3.43Å; Q531-R534 VanDerWaalsContact CB-O 3.31Å; Q531-R534 WeakPolarHBondContact CB-O 3.37Å; Q531-Y536 HydrophobicContact CG-CD2 4.22Å; Q531-Y536 PolarHBondContact NE2-O 3.26Å; Q531-Y536 VanDerWaalsContact NE2-O 3.17Å; Q531-R541 VanDerWaalsContact CD-CZ 3.45Å; Q531-R541 VanDerWaalsContact OE1-CZ 3.22Å
532	N	91.8	Very high	92.6	Very high	111 Å²	111	41.1 Å²	41.1	59%	0.594	19%	0.19	S	C	*	.	S	Bend	trans	-66.9	-20.6	-172.9	-58.9	121.6	0	0	0	114.1	R527 H530	R527-N532 WeakPolarHBondContact CA-OD1 3.49Å; R527-N532 HydrophobicContact CG-CB 4.44Å; R527-N532 PolarHBondContact O-N 2.9Å; H530-N532 VanDerWaalsContact C-N 3.28Å; H530-N532 PolarHBondContact O-N 3.09Å
533	R	90.2	Very high	92.5	Very high	165 Å²	165	40 Å²	40	62%	0.623	19%	0.185	S	C	*	.	S	Bend	trans	-113.7	-40.4	-177.6	-68.1	-178.7	174.1	172.5	-5	113.1	E495 Q531	E495-R533 IonicContact OE1-NH1 2.93Å; E495-R533 IonicContact OE2-NH1 3.43Å; E495-R533 PolarHBondContact OE2-NH1 3.42Å; Q531-R533 PolarHBondContact O-N 3.44Å; Q531-R533 VanDerWaalsContact O-N 3.17Å
534	R	89.9	Confident	92.6	Very high	71 Å²	71	34.4 Å²	34.4	27%	0.268	16%	0.159	S	C	.	.	S	Bend	trans	-153.5	168	-177.3	69.8	174.6	-175.7	105.5	-1.4	111.4	E495 S496 Q531 Y536	E495-R534 VanDerWaalsContact C-NH2 3.33Å; E495-R534 PolarHBondContact O-NE 3.36Å; E495-R534 PolarHBondContact O-NH2 3.22Å; S496-R534 PolarHBondContact O-NH2 2.97Å; Q531-R534 WeakPolarHBondContact CA-O 3.43Å; Q531-R534 VanDerWaalsContact CB-O 3.31Å; Q531-R534 WeakPolarHBondContact CB-O 3.37Å; R534-Y536 HydrophobicContact CG-CD2 4.02Å; R534-Y536 HydrophobicContact CG-CE1 4.38Å; R534-Y536 HydrophobicContact CG-CE2 3.43Å; R534-Y536 VanDerWaalsContact CG-CE2 3.43Å; R534-Y536 PolarHBondContact NE-OH 3.41Å; R534-Y536 WeakPolarHBondContact O-CD2 3.43Å; R534-Y536 WeakPolarHBondContact O-CE2 3.47Å
535	V	89.7	Confident	92.5	Very high	89 Å²	89	33.8 Å²	33.8	54%	0.539	16%	0.155	S	C	.	.			trans	-75.6	145.2	170.7	-174.4	0	0	0	0	109.7
536	Y	89.6	Confident	92.4	Very high	16 Å²	16	34 Å²	34	6%	0.063	16%	0.156	C	C	.	.			trans	-136.9	145.8	-177.2	-71.2	-92.7	0	0	0	108	V528 Q531 R534 V540	V528-Y536 HydrophobicContact CB-CE1 4.36Å; V528-Y536 HydrophobicContact CG1-CD1 3.89Å; V528-Y536 HydrophobicContact CG1-CE1 3.96Å; V528-Y536 HydrophobicContact CG1-CG 4.17Å; V528-Y536 HydrophobicContact CG2-CE1 3.94Å; Q531-Y536 HydrophobicContact CG-CD2 4.22Å; Q531-Y536 PolarHBondContact NE2-O 3.26Å; Q531-Y536 VanDerWaalsContact NE2-O 3.17Å; R534-Y536 HydrophobicContact CG-CD2 4.02Å; R534-Y536 HydrophobicContact CG-CE1 4.38Å; R534-Y536 HydrophobicContact CG-CE2 3.43Å; R534-Y536 VanDerWaalsContact CG-CE2 3.43Å; R534-Y536 PolarHBondContact NE-OH 3.41Å; R534-Y536 WeakPolarHBondContact O-CD2 3.43Å; R534-Y536 WeakPolarHBondContact O-CE2 3.47Å; Y536-V540 HydrophobicContact CD1-CG1 3.95Å
537	E	87.4	Confident	92.3	Very high	41 Å²	41	33.1 Å²	33.1	19%	0.192	15%	0.151	C	C	.	.			trans	-57.8	153.6	173.8	-63.5	176.5	-137.4	0	0	112.1	G499 N539 V540 R541 R645	G499-E537 WeakPolarHBondContact CA-OE1 3.49Å; E537-N539 WeakPolarHBondContact CB-OD1 3.13Å; E537-N539 PolarHBondContact O-N 2.99Å; E537-N539 PolarHBondContact OE2-ND2 2.98Å; E537-N539 PolarHBondContact OE2-OD1 2.86Å; E537-V540 HydrophobicContact CB-CG2 4.2Å; E537-V540 PolarHBondContact O-N 3.44Å; E537-R541 WeakPolarHBondContact O-CG 3.38Å; E537-R541 PolarHBondContact O-N 3.4Å; E537-R541 VanDerWaalsContact O-N 3.15Å; E537-R645 IonicContact OE2-NH2 3.2Å; E537-R645 PolarHBondContact OE2-NH2 3.47Å
538	K	88.7	Confident	92.2	Very high	17 Å²	17	30.9 Å²	30.9	7%	0.074	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-38.9	-175.7	-63.4	175.4	-173.4	178.1	0	112.7	R541 A542 L637 D681	K538-R541 PolarHBondContact O-N 2.98Å; K538-A542 WeakPolarHBondContact O-CB 3.3Å; K538-A542 PolarHBondContact O-N 3.02Å; K538-L637 HydrophobicContact CB-CD2 4.23Å; K538-D681 IonicContact NZ-OD1 2.94Å; K538-D681 PolarHBondContact NZ-OD1 2.91Å; K538-D681 IonicContact NZ-OD2 3.69Å; K538-D681 PolarHBondContact NZ-OD2 3.26Å
539	N	88.3	Confident	92	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.032	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-40.9	175.5	57.9	-8.8	0	0	0	112.2	E537 A542 A543 R645 R646	E537-N539 WeakPolarHBondContact CB-OD1 3.13Å; E537-N539 PolarHBondContact O-N 2.99Å; E537-N539 PolarHBondContact OE2-ND2 2.98Å; E537-N539 PolarHBondContact OE2-OD1 2.86Å; N539-A542 PolarHBondContact O-N 2.71Å; N539-A543 WeakPolarHBondContact O-CB 3.16Å; N539-A543 PolarHBondContact O-N 3.18Å; N539-R645 PolarHBondContact ND2-NH2 2.91Å; N539-R646 PolarHBondContact O-NH1 2.94Å
540	V	92.4	Very high	91.7	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-45.8	178	173.2	0	0	0	0	109.8	C502 L506 V528 Y536 E537 A542 A543 A544	C502-V540 HydrophobicContact CB-CB 4.29Å; C502-V540 HydrophobicContact CB-CG1 3.54Å; C502-V540 HydrophobicContact CB-CG2 3.7Å; L506-V540 HydrophobicContact CD1-CG1 3.79Å; L506-V540 VanDerWaalsContact CD1-O 3.29Å; L506-V540 WeakPolarHBondContact CD1-O 3.33Å; V528-V540 HydrophobicContact CG1-CG1 3.61Å; Y536-V540 HydrophobicContact CD1-CG1 3.95Å; E537-V540 HydrophobicContact CB-CG2 4.2Å; E537-V540 PolarHBondContact O-N 3.44Å; V540-A542 PolarHBondContact O-N 3.41Å; V540-A543 PolarHBondContact O-N 3.34Å; V540-A544 PolarHBondContact O-N 2.9Å
541	R	93.6	Very high	91.5	Very high	14 Å²	14	31.3 Å²	31.3	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-40.3	177	-63.7	173.4	69.8	-176.9	8.8	112.1	Y529 Q531 E537 K538 A544 A545 L572	Y529-R541 HydrophobicContact CD2-CB 4.47Å; Y529-R541 WeakPolarHBondContact CD2-O 3.23Å; Y529-R541 PolarHBondContact O-NE 2.88Å; Y529-R541 PolarHBondContact O-NH2 3.4Å; Y529-R541 VanDerWaalsContact O-NH2 3.11Å; Q531-R541 VanDerWaalsContact CD-CZ 3.45Å; Q531-R541 VanDerWaalsContact OE1-CZ 3.22Å; E537-R541 WeakPolarHBondContact O-CG 3.38Å; E537-R541 PolarHBondContact O-N 3.4Å; E537-R541 VanDerWaalsContact O-N 3.15Å; K538-R541 PolarHBondContact O-N 2.98Å; R541-A544 PolarHBondContact O-N 3.46Å; R541-A545 PolarHBondContact O-N 3.05Å; R541-L572 HydrophobicContact CB-CD2 4.22Å
542	A	92.8	Very high	91.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-45	174.5	0	0	0	0	0	111.5	K538 N539 V540 A544 A545 D546 L572 Y575 L637	K538-A542 WeakPolarHBondContact O-CB 3.3Å; K538-A542 PolarHBondContact O-N 3.02Å; N539-A542 PolarHBondContact O-N 2.71Å; V540-A542 PolarHBondContact O-N 3.41Å; A542-A544 VanDerWaalsContact C-N 3.32Å; A542-A544 PolarHBondContact O-N 2.86Å; A542-A545 WeakPolarHBondContact O-CB 3.38Å; A542-A545 PolarHBondContact O-N 3.39Å; A542-D546 VanDerWaalsContact O-CG 3.31Å; A542-D546 PolarHBondContact O-N 3.15Å; A542-L572 HydrophobicContact CB-CD1 4.31Å; A542-Y575 HydrophobicContact CB-CD1 4.08Å; A542-Y575 HydrophobicContact CB-CE1 3.67Å; A542-L637 HydrophobicContact CB-CD2 4.15Å
543	A	93.2	Very high	91.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-38	173.6	0	0	0	0	0	112.6	L506 N539 V540 D546 V547	L506-A543 HydrophobicContact CB-CB 3.84Å; L506-A543 HydrophobicContact CD1-CB 4Å; N539-A543 WeakPolarHBondContact O-CB 3.16Å; N539-A543 PolarHBondContact O-N 3.18Å; V540-A543 PolarHBondContact O-N 3.34Å; A543-D546 WeakPolarHBondContact O-CB 3.47Å; A543-D546 PolarHBondContact O-N 3.45Å; A543-V547 WeakPolarHBondContact O-CG2 3.38Å; A543-V547 PolarHBondContact O-N 3.33Å
544	A	95.4	Very high	91.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-42	175.9	0	0	0	0	0	111.5	L506 V525 V528 V540 R541 A542 D546 V547 V548	L506-A544 HydrophobicContact CD1-CB 4.02Å; L506-A544 HydrophobicContact CD2-CB 4.16Å; V525-A544 HydrophobicContact CG1-CB 3.87Å; V525-A544 WeakPolarHBondContact CG1-O 3.25Å; V528-A544 HydrophobicContact CB-CB 4.29Å; V528-A544 HydrophobicContact CG1-CB 3.97Å; V540-A544 PolarHBondContact O-N 2.9Å; R541-A544 PolarHBondContact O-N 3.46Å; A542-A544 VanDerWaalsContact C-N 3.32Å; A542-A544 PolarHBondContact O-N 2.86Å; A544-D546 VanDerWaalsContact C-N 3.32Å; A544-D546 PolarHBondContact O-N 3Å; A544-V547 PolarHBondContact O-N 3.35Å; A544-V548 WeakPolarHBondContact O-CG2 3.32Å; A544-V548 PolarHBondContact O-N 3.25Å
545	A	94.2	Very high	91.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.2	-41	173.6	0	0	0	0	0	112.5	Y529 R541 A542 V547 V548 F549 M576	Y529-A545 HydrophobicContact CD2-CB 3.89Å; Y529-A545 HydrophobicContact CE2-CB 3.79Å; R541-A545 PolarHBondContact O-N 3.05Å; A542-A545 WeakPolarHBondContact O-CB 3.38Å; A542-A545 PolarHBondContact O-N 3.39Å; A545-V547 VanDerWaalsContact C-N 3.27Å; A545-V547 PolarHBondContact O-N 3.42Å; A545-V548 PolarHBondContact O-N 2.89Å; A545-V548 VanDerWaalsContact O-N 3.17Å; A545-F549 HydrophobicContact CB-CE2 4.34Å; A545-F549 WeakPolarHBondContact O-CD2 3.49Å; A545-F549 PolarHBondContact O-N 3.25Å; A545-M576 HydrophobicContact CB-CE 3.63Å; A545-M576 HydrophobicContact CB-SD 3.54Å; A545-M576 VanDerWaalsContact CB-SD 3.54Å
546	D	92	Very high	92.1	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-57.9	-41.3	176.6	-65.8	-40.1	0	0	0	111.3	A542 A543 A544 S550 K579 R646	A542-D546 VanDerWaalsContact O-CG 3.31Å; A542-D546 PolarHBondContact O-N 3.15Å; A543-D546 WeakPolarHBondContact O-CB 3.47Å; A543-D546 PolarHBondContact O-N 3.45Å; A544-D546 VanDerWaalsContact C-N 3.32Å; A544-D546 PolarHBondContact O-N 3Å; D546-S550 WeakPolarHBondContact O-CB 3.4Å; D546-S550 PolarHBondContact O-N 3.23Å; D546-S550 VanDerWaalsContact O-N 3.08Å; D546-S550 PolarHBondContact O-OG 2.91Å; D546-K579 WeakPolarHBondContact OD1-CE 3.28Å; D546-K579 IonicContact OD1-NZ 3.04Å; D546-R646 IonicContact OD2-NH2 3.61Å; D546-R646 PolarHBondContact OD2-NH2 3.24Å
547	V	93.8	Very high	92.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-67.6	-41.2	175.4	179	0	0	0	0	112.1	L506 L509 Q510 V525 A543 A544 A545 F549 S550 S551	L506-V547 HydrophobicContact CB-CG2 4.37Å; L506-V547 HydrophobicContact CD2-CG2 4.49Å; L506-V547 WeakPolarHBondContact O-CG2 3.23Å; L509-V547 HydrophobicContact CB-CG1 4.32Å; L509-V547 HydrophobicContact CB-CG2 4.3Å; Q510-V547 HydrophobicContact CB-CG2 4.04Å; V525-V547 HydrophobicContact CG1-CB 3.99Å; V525-V547 HydrophobicContact CG1-CG1 4.14Å; V525-V547 HydrophobicContact CG2-CB 4.49Å; V525-V547 HydrophobicContact CG2-CG1 3.92Å; A543-V547 WeakPolarHBondContact O-CG2 3.38Å; A543-V547 PolarHBondContact O-N 3.33Å; A544-V547 PolarHBondContact O-N 3.35Å; A545-V547 VanDerWaalsContact C-N 3.27Å; A545-V547 PolarHBondContact O-N 3.42Å; V547-F549 PolarHBondContact O-N 2.91Å; V547-S550 PolarHBondContact O-N 3.3Å; V547-S550 PolarHBondContact O-OG 3.03Å; V547-S551 WeakPolarHBondContact O-CB 3.43Å; V547-S551 PolarHBondContact O-N 3.15Å; V547-S551 VanDerWaalsContact O-N 3.1Å; V547-S551 PolarHBondContact O-OG 3.39Å
548	V	93.9	Very high	92.7	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-47.9	176.2	174.1	0	0	0	0	110.2	V525 A544 A545 S550 S551 P553 E557 V561	V525-V548 HydrophobicContact CG1-CG2 3.65Å; A544-V548 WeakPolarHBondContact O-CG2 3.32Å; A544-V548 PolarHBondContact O-N 3.25Å; A545-V548 PolarHBondContact O-N 2.89Å; A545-V548 VanDerWaalsContact O-N 3.17Å; V548-S550 VanDerWaalsContact C-N 3.34Å; V548-S550 PolarHBondContact O-N 3.14Å; V548-S551 PolarHBondContact O-N 3.38Å; V548-S551 PolarHBondContact O-OG 3.35Å; V548-P553 HydrophobicContact CG1-CB 4.11Å; V548-P553 WeakPolarHBondContact O-CB 3.43Å; V548-E557 HydrophobicContact CG1-CB 4.3Å; V548-V561 HydrophobicContact CG1-CG2 4.44Å
549	F	92.2	Very high	93	Very high	12 Å²	12	24 Å²	24	5%	0.053	13%	0.125	C	C	.	.	H	α-helix	trans	-69.4	-29.5	-178.3	-68.4	-54.8	0	0	0	113.6	A545 V547 V561 M576 K579 V580 I583 L594	A545-F549 HydrophobicContact CB-CE2 4.34Å; A545-F549 WeakPolarHBondContact O-CD2 3.49Å; A545-F549 PolarHBondContact O-N 3.25Å; V547-F549 PolarHBondContact O-N 2.91Å; F549-V561 HydrophobicContact CE1-CG1 4.27Å; F549-V561 HydrophobicContact CE2-CG1 4.31Å; F549-V561 HydrophobicContact CZ-CG1 3.58Å; F549-M576 HydrophobicContact CE2-CE 3.61Å; F549-M576 HydrophobicContact CZ-CE 3.97Å; F549-K579 HydrophobicContact CD2-CG 4.24Å; F549-K579 HydrophobicContact CE2-CG 4.23Å; F549-V580 HydrophobicContact CE1-CG2 4.48Å; F549-V580 HydrophobicContact CZ-CG2 3.91Å; F549-I583 HydrophobicContact CB-CD1 3.83Å; F549-I583 HydrophobicContact CD1-CD1 3.71Å; F549-I583 HydrophobicContact CD2-CD1 3.83Å; F549-I583 HydrophobicContact CE1-CD1 4.16Å; F549-I583 HydrophobicContact CE2-CD1 4.26Å; F549-I583 HydrophobicContact CG-CD1 3.53Å; F549-I583 HydrophobicContact CZ-CD1 4.4Å; F549-L594 HydrophobicContact CE1-CD1 4.37Å; F549-L594 HydrophobicContact CE1-CD2 4.4Å
550	S	89.6	Confident	93.3	Very high	45 Å²	45	26.8 Å²	26.8	32%	0.315	14%	0.14	S	C	.	.	H	α-helix	trans	-84.5	-16.2	179.4	70.4	0	0	0	0	114.3	V514 D546 V547 V548 N552	V514-S550 WeakPolarHBondContact CG2-O 3.46Å; D546-S550 WeakPolarHBondContact O-CB 3.4Å; D546-S550 PolarHBondContact O-N 3.23Å; D546-S550 VanDerWaalsContact O-N 3.08Å; D546-S550 PolarHBondContact O-OG 2.91Å; V547-S550 PolarHBondContact O-N 3.3Å; V547-S550 PolarHBondContact O-OG 3.03Å; V548-S550 VanDerWaalsContact C-N 3.34Å; V548-S550 PolarHBondContact O-N 3.14Å; S550-N552 PolarHBondContact O-N 3.33Å
551	S	89.7	Confident	93.4	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.021	14%	0.139	C	C	.	.	S	Bend	trans	-98.7	33.3	-170.5	59.5	0	0	0	0	115.4	K522 V547 V548	K522-S551 WeakPolarHBondContact CE-O 3.3Å; K522-S551 PolarHBondContact NZ-O 2.96Å; V547-S551 WeakPolarHBondContact O-CB 3.43Å; V547-S551 PolarHBondContact O-N 3.15Å; V547-S551 VanDerWaalsContact O-N 3.1Å; V547-S551 PolarHBondContact O-OG 3.39Å; V548-S551 PolarHBondContact O-N 3.38Å; V548-S551 PolarHBondContact O-OG 3.35Å
552	N	90.6	Very high	93.4	Very high	106 Å²	106	26 Å²	26	57%	0.567	14%	0.137	S	C	*	.			trans	49.6	70.2	-175.2	-175	35.3	0	0	0	111.7	V514 K522 S550	V514-N552 HydrophobicContact CG1-CB 3.56Å; K522-N552 PolarHBondContact NZ-O 2.95Å; S550-N552 PolarHBondContact O-N 3.33Å
553	P	93.3	Very high	93.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.013	15%	0.149	C	C	.	.			trans	-70.1	146.1	-171.5	29.1	-35.9	0	0	0	111.9	V548 E557 V558 A590 I593	V548-P553 HydrophobicContact CG1-CB 4.11Å; V548-P553 WeakPolarHBondContact O-CB 3.43Å; P553-E557 HydrophobicContact CB-CB 4.38Å; P553-V558 HydrophobicContact CB-CG2 3.78Å; P553-V558 HydrophobicContact CG-CG2 3.69Å; P553-A590 HydrophobicContact CG-CB 3.92Å; P553-I593 WeakPolarHBondContact O-CD1 3.4Å
554	S	94.4	Very high	93.6	Very high	55 Å²	55	29 Å²	29	39%	0.385	15%	0.153	S	C	.	.			trans	-71.5	164.1	172.3	69.7	0	0	0	0	112	M556 E557 V558	S554-M556 VanDerWaalsContact C-N 3.26Å; S554-M556 PolarHBondContact O-N 3.05Å; S554-E557 VanDerWaalsContact CB-OE2 3.29Å; S554-E557 WeakPolarHBondContact CB-OE2 3.32Å; S554-E557 PolarHBondContact N-OE2 2.9Å; S554-E557 PolarHBondContact O-N 3.46Å; S554-E557 VanDerWaalsContact OG-CG 3.27Å; S554-E557 WeakPolarHBondContact OG-CG 3.23Å; S554-E557 PolarHBondContact OG-N 3.02Å; S554-E557 PolarHBondContact OG-OE2 3.46Å; S554-V558 WeakPolarHBondContact O-CG2 3.24Å; S554-V558 PolarHBondContact O-N 3.24Å; S554-V558 VanDerWaalsContact O-N 3.11Å
555	Y	94.7	Very high	93.6	Very high	77 Å²	77	29 Å²	29	30%	0.302	15%	0.153	S	C	.	.	H	α-helix	trans	-55.3	-41.5	175	174	-92.9	0	0	0	112.5	K559 Q596 A597	Y555-K559 HydrophobicContact CE1-CB 4.48Å; Y555-K559 HydrophobicContact CE1-CD 3.82Å; Y555-K559 VanDerWaalsContact O-CB 3.27Å; Y555-K559 WeakPolarHBondContact O-CB 3.26Å; Y555-K559 PolarHBondContact O-N 3.38Å; Y555-Q596 HydrophobicContact CD2-CG 4.17Å; Y555-Q596 HydrophobicContact CE2-CG 4.19Å; Y555-A597 HydrophobicContact CD2-CB 4.35Å; Y555-A597 HydrophobicContact CE2-CB 4.07Å
556	M	94.7	Very high	93.3	Very high	104 Å²	104	30.3 Å²	30.3	51%	0.512	17%	0.167	S	C	.	.	H	α-helix	trans	-71	-39	-177.9	-73.2	-56.2	-60.8	0	0	112.5	S554 K559 N560	S554-M556 VanDerWaalsContact C-N 3.26Å; S554-M556 PolarHBondContact O-N 3.05Å; M556-K559 PolarHBondContact O-N 3.43Å; M556-N560 WeakPolarHBondContact O-CB 3.26Å; M556-N560 PolarHBondContact O-N 3.18Å; M556-N560 PolarHBondContact O-ND2 3.48Å; M556-N560 PolarHBondContact O-OD1 3.19Å
557	E	94.3	Very high	93.3	Very high	23 Å²	23	36.4 Å²	36.4	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-48.5	175.3	-70.3	167.9	121.9	0	0	110.7	N526 V548 P553 S554 K559 N560 V561	N526-E557 PolarHBondContact ND2-OE1 2.7Å; V548-E557 HydrophobicContact CG1-CB 4.3Å; P553-E557 HydrophobicContact CB-CB 4.38Å; S554-E557 VanDerWaalsContact CB-OE2 3.29Å; S554-E557 WeakPolarHBondContact CB-OE2 3.32Å; S554-E557 PolarHBondContact N-OE2 2.9Å; S554-E557 PolarHBondContact O-N 3.46Å; S554-E557 VanDerWaalsContact OG-CG 3.27Å; S554-E557 WeakPolarHBondContact OG-CG 3.23Å; S554-E557 PolarHBondContact OG-N 3.02Å; S554-E557 PolarHBondContact OG-OE2 3.46Å; E557-K559 VanDerWaalsContact C-N 3.34Å; E557-K559 PolarHBondContact O-N 3.33Å; E557-N560 PolarHBondContact O-N 2.89Å; E557-V561 VanDerWaalsContact O-CG2 3.31Å; E557-V561 WeakPolarHBondContact O-CG2 3.36Å; E557-V561 PolarHBondContact O-N 3.39Å
558	V	94.8	Very high	93.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-43.6	176.3	175.1	0	0	0	0	111.4	P553 S554 V561 L562 I593 L594 A597	P553-V558 HydrophobicContact CB-CG2 3.78Å; P553-V558 HydrophobicContact CG-CG2 3.69Å; S554-V558 WeakPolarHBondContact O-CG2 3.24Å; S554-V558 PolarHBondContact O-N 3.24Å; S554-V558 VanDerWaalsContact O-N 3.11Å; V558-V561 PolarHBondContact O-N 3.03Å; V558-L562 HydrophobicContact CG1-CD1 4.12Å; V558-L562 HydrophobicContact CG1-CG 4.47Å; V558-L562 WeakPolarHBondContact O-CG 3.41Å; V558-L562 PolarHBondContact O-N 3.23Å; V558-I593 HydrophobicContact CB-CG2 4.21Å; V558-I593 HydrophobicContact CG2-CG2 3.8Å; V558-L594 HydrophobicContact CG1-CB 4.41Å; V558-L594 HydrophobicContact CG1-CD2 3.35Å; V558-L594 HydrophobicContact CG1-CG 3.7Å; V558-A597 HydrophobicContact CG1-CB 3.79Å
559	K	94.6	Very high	92.9	Very high	44 Å²	44	39.6 Å²	39.6	19%	0.191	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-44.5	178.4	-174.1	169.2	-171.5	161.1	0	111.4	Y555 M556 E557 L562 L563 D600	Y555-K559 HydrophobicContact CE1-CB 4.48Å; Y555-K559 HydrophobicContact CE1-CD 3.82Å; Y555-K559 VanDerWaalsContact O-CB 3.27Å; Y555-K559 WeakPolarHBondContact O-CB 3.26Å; Y555-K559 PolarHBondContact O-N 3.38Å; M556-K559 PolarHBondContact O-N 3.43Å; E557-K559 VanDerWaalsContact C-N 3.34Å; E557-K559 PolarHBondContact O-N 3.33Å; K559-L562 PolarHBondContact O-N 3.44Å; K559-L563 HydrophobicContact CG-CD1 3.98Å; K559-L563 HydrophobicContact CG-CG 4.32Å; K559-L563 WeakPolarHBondContact O-CB 3.14Å; K559-L563 VanDerWaalsContact O-CG 3.24Å; K559-L563 WeakPolarHBondContact O-CG 3.47Å; K559-L563 PolarHBondContact O-N 3.17Å; K559-D600 WeakPolarHBondContact CE-OD2 3.13Å; K559-D600 IonicContact NZ-OD2 3.79Å; K559-D600 PolarHBondContact NZ-OD2 2.84Å
560	N	94.9	Very high	92.8	Very high	64 Å²	64	43.3 Å²	43.3	34%	0.342	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-40.9	179.1	-70.4	-13.2	0	0	0	111.9	M556 E557 L563 S564	M556-N560 WeakPolarHBondContact O-CB 3.26Å; M556-N560 PolarHBondContact O-N 3.18Å; M556-N560 PolarHBondContact O-ND2 3.48Å; M556-N560 PolarHBondContact O-OD1 3.19Å; E557-N560 PolarHBondContact O-N 2.89Å; N560-L563 PolarHBondContact O-N 3.07Å; N560-S564 PolarHBondContact O-N 3.13Å
561	V	94.6	Very high	92.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-46.8	174.2	172.7	0	0	0	0	110.5	Y529 V548 F549 E557 V558 L563 S564 I565 M576	Y529-V561 HydrophobicContact CD1-CG2 4.18Å; Y529-V561 HydrophobicContact CE1-CB 4.31Å; Y529-V561 HydrophobicContact CE1-CG1 4.28Å; Y529-V561 HydrophobicContact CE1-CG2 3.82Å; V548-V561 HydrophobicContact CG1-CG2 4.44Å; F549-V561 HydrophobicContact CE1-CG1 4.27Å; F549-V561 HydrophobicContact CE2-CG1 4.31Å; F549-V561 HydrophobicContact CZ-CG1 3.58Å; E557-V561 VanDerWaalsContact O-CG2 3.31Å; E557-V561 WeakPolarHBondContact O-CG2 3.36Å; E557-V561 PolarHBondContact O-N 3.39Å; V558-V561 PolarHBondContact O-N 3.03Å; V561-L563 PolarHBondContact O-N 3.2Å; V561-S564 WeakPolarHBondContact O-CB 3.02Å; V561-S564 PolarHBondContact O-N 3.45Å; V561-S564 VanDerWaalsContact O-N 3.17Å; V561-S564 PolarHBondContact O-OG 3.39Å; V561-I565 PolarHBondContact O-N 2.75Å; V561-M576 HydrophobicContact CG1-CE 3.47Å; V561-M576 VanDerWaalsContact CG1-CE 3.47Å
562	L	94.8	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-47.3	174.8	-71.1	173	0	0	0	111.5	V558 K559 S564 I565 V580 L594 A597 M598 R608 F609	V558-L562 HydrophobicContact CG1-CD1 4.12Å; V558-L562 HydrophobicContact CG1-CG 4.47Å; V558-L562 WeakPolarHBondContact O-CG 3.41Å; V558-L562 PolarHBondContact O-N 3.23Å; K559-L562 PolarHBondContact O-N 3.44Å; L562-S564 PolarHBondContact O-N 3.45Å; L562-I565 HydrophobicContact CD2-CD1 4.24Å; L562-I565 WeakPolarHBondContact O-CB 3.24Å; L562-I565 PolarHBondContact O-N 3.34Å; L562-V580 HydrophobicContact CD2-CG1 4.05Å; L562-V580 HydrophobicContact CD2-CG2 4.07Å; L562-L594 HydrophobicContact CD1-CD2 4.29Å; L562-L594 HydrophobicContact CD2-CD2 4.21Å; L562-L594 HydrophobicContact CG-CD2 4.35Å; L562-A597 HydrophobicContact CD1-CB 3.78Å; L562-M598 HydrophobicContact CD1-CG 3.96Å; L562-R608 VanDerWaalsContact O-CD 3.28Å; L562-R608 WeakPolarHBondContact O-CD 3.33Å; L562-R608 PolarHBondContact O-NH1 3.45Å; L562-F609 HydrophobicContact CD2-CZ 4.29Å
563	L	95.1	Very high	93.1	Very high	51 Å²	51	36.7 Å²	36.7	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-20.8	179.7	-70.1	175.2	0	0	0	113.7	K559 N560 V561 N567 I602 R608	K559-L563 HydrophobicContact CG-CD1 3.98Å; K559-L563 HydrophobicContact CG-CG 4.32Å; K559-L563 WeakPolarHBondContact O-CB 3.14Å; K559-L563 VanDerWaalsContact O-CG 3.24Å; K559-L563 WeakPolarHBondContact O-CG 3.47Å; K559-L563 PolarHBondContact O-N 3.17Å; N560-L563 PolarHBondContact O-N 3.07Å; V561-L563 PolarHBondContact O-N 3.2Å; L563-N567 PolarHBondContact O-ND2 2.99Å; L563-I602 HydrophobicContact CD2-CG2 3.92Å; L563-R608 PolarHBondContact O-NH1 3.25Å
564	S	94.7	Very high	93.1	Very high	13 Å²	13	36.9 Å²	36.9	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-75.2	-28.6	173.6	78.9	0	0	0	0	113.3	Y529 N560 V561 L562 G566 N567 L568	Y529-S564 PolarHBondContact OH-OG 3.5Å; N560-S564 PolarHBondContact O-N 3.13Å; V561-S564 WeakPolarHBondContact O-CB 3.02Å; V561-S564 PolarHBondContact O-N 3.45Å; V561-S564 VanDerWaalsContact O-N 3.17Å; V561-S564 PolarHBondContact O-OG 3.39Å; L562-S564 PolarHBondContact O-N 3.45Å; S564-G566 PolarHBondContact O-N 3.01Å; S564-G566 VanDerWaalsContact O-N 3.15Å; S564-N567 WeakPolarHBondContact O-CA 3.18Å; S564-N567 WeakPolarHBondContact O-CB 3.4Å; S564-N567 PolarHBondContact O-N 3.32Å; S564-L568 WeakPolarHBondContact O-CG 3.43Å
565	I	94.1	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	118.2	-179.6	-59.9	172.2	0	0	0	109.2	V561 L562 M576 L577 V580 R608 K611	V561-I565 PolarHBondContact O-N 2.75Å; L562-I565 HydrophobicContact CD2-CD1 4.24Å; L562-I565 WeakPolarHBondContact O-CB 3.24Å; L562-I565 PolarHBondContact O-N 3.34Å; I565-M576 HydrophobicContact CD1-CB 4.3Å; I565-M576 HydrophobicContact CG1-CB 4.01Å; I565-L577 HydrophobicContact CG2-CB 4.28Å; I565-V580 HydrophobicContact CD1-CG2 4.27Å; I565-R608 HydrophobicContact CB-CG 4.14Å; I565-R608 HydrophobicContact CG2-CG 4.15Å; I565-R608 WeakPolarHBondContact O-CG 3.49Å; I565-R608 PolarHBondContact O-NH1 3.22Å; I565-K611 HydrophobicContact CG2-CG 4.14Å
566	G	89.4	Confident	93.2	Very high	28 Å²	28	30.6 Å²	30.6	29%	0.289	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.1	-19	-171.6	0	0	0	0	0	114	S564 N573 K611	S564-G566 PolarHBondContact O-N 3.01Å; S564-G566 VanDerWaalsContact O-N 3.15Å; G566-N573 WeakPolarHBondContact CA-OD1 3.44Å; G566-N573 PolarHBondContact N-OD1 2.73Å; G566-K611 VanDerWaalsContact CA-CE 3.47Å
567	N	90.9	Very high	93.2	Very high	135 Å²	135	25.7 Å²	25.7	72%	0.722	14%	0.14	S	C	*	.	S	Bend	trans	-111.4	6.6	177.1	-60	-40.2	0	0	0	112.5	L563 S564	L563-N567 PolarHBondContact O-ND2 2.99Å; S564-N567 WeakPolarHBondContact O-CA 3.18Å; S564-N567 WeakPolarHBondContact O-CB 3.4Å; S564-N567 PolarHBondContact O-N 3.32Å
568	L	91.3	Very high	93.2	Very high	19 Å²	19	25.1 Å²	25.1	10%	0.099	14%	0.139	C	C	.	.	S	Bend	trans	-96	170.1	174.8	-47.5	170.3	0	0	0	110.4	S564 L572 N573 M576	S564-L568 WeakPolarHBondContact O-CG 3.43Å; L568-L572 HydrophobicContact CB-CB 4.22Å; L568-L572 HydrophobicContact CB-CD2 4.22Å; L568-L572 HydrophobicContact CB-CG 4.24Å; L568-L572 HydrophobicContact CD1-CD2 4.29Å; L568-L572 HydrophobicContact CD1-CG 4.03Å; L568-L572 HydrophobicContact CD2-CD2 4.5Å; L568-N573 WeakPolarHBondContact CA-OD1 3.24Å; L568-N573 WeakPolarHBondContact CB-OD1 3.38Å; L568-N573 WeakPolarHBondContact CG-OD1 3.29Å; L568-N573 PolarHBondContact N-OD1 3.41Å; L568-N573 PolarHBondContact O-ND2 3.49Å; L568-M576 HydrophobicContact CD1-CB 4.41Å; L568-M576 HydrophobicContact CD1-CG 3.82Å
569	P	88.9	Confident	93.2	Very high	51 Å²	51	26 Å²	26	33%	0.331	14%	0.142	S	C	.	.			trans	-55.8	151.5	167.5	-26.1	35.9	0	0	0	112.1	E571 L572 N573	P569-E571 PolarHBondContact O-N 2.83Å; P569-L572 PolarHBondContact O-N 2.85Å; P569-N573 PolarHBondContact O-N 2.64Å
570	K	89.2	Confident	93.2	Very high	89 Å²	89	23.9 Å²	23.9	39%	0.387	13%	0.133	S	C	.	.	H	α-helix	trans	-42.9	-59.9	-172.1	-176.8	-175.5	175.3	-171.8	0	114	L572 N573 K574 Y823	K570-L572 PolarHBondContact O-N 3.36Å; K570-N573 WeakPolarHBondContact O-CB 3.27Å; K570-N573 PolarHBondContact O-N 2.91Å; K570-K574 PolarHBondContact O-N 2.83Å; K570-Y823 PolarHBondContact NZ-OH 2.95Å
571	E	90.7	Very high	93.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-70.2	-31.6	-177.4	-72.9	-56.4	140.8	0	0	113.3	P569 K574 Y575 G613 S614 S615 Y638 S639	P569-E571 PolarHBondContact O-N 2.83Å; E571-K574 PolarHBondContact O-N 2.9Å; E571-Y575 WeakPolarHBondContact O-CB 3.5Å; E571-Y575 PolarHBondContact O-N 2.85Å; E571-G613 WeakPolarHBondContact OE1-CA 3.44Å; E571-S614 PolarHBondContact OE1-N 3.45Å; E571-S614 PolarHBondContact OE2-N 3.23Å; E571-S614 VanDerWaalsContact OE2-N 3.07Å; E571-S615 PolarHBondContact O-OG 3.32Å; E571-S615 VanDerWaalsContact OE2-CB 3.28Å; E571-S615 WeakPolarHBondContact OE2-CB 3.23Å; E571-S615 PolarHBondContact OE2-N 2.79Å; E571-S615 PolarHBondContact OE2-OG 3.48Å; E571-Y638 WeakPolarHBondContact CB-O 3.35Å; E571-Y638 WeakPolarHBondContact CG-O 3.43Å; E571-S639 WeakPolarHBondContact CG-O 3.43Å
572	L	91.9	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-36.9	176.4	-171.9	61	0	0	0	111.6	R541 A542 L568 P569 K570 K574 Y575 M576	R541-L572 HydrophobicContact CB-CD2 4.22Å; A542-L572 HydrophobicContact CB-CD1 4.31Å; L568-L572 HydrophobicContact CB-CB 4.22Å; L568-L572 HydrophobicContact CB-CD2 4.22Å; L568-L572 HydrophobicContact CB-CG 4.24Å; L568-L572 HydrophobicContact CD1-CD2 4.29Å; L568-L572 HydrophobicContact CD1-CG 4.03Å; L568-L572 HydrophobicContact CD2-CD2 4.5Å; P569-L572 PolarHBondContact O-N 2.85Å; K570-L572 PolarHBondContact O-N 3.36Å; L572-K574 VanDerWaalsContact C-N 3.33Å; L572-K574 PolarHBondContact O-N 2.76Å; L572-Y575 HydrophobicContact CD1-CD1 4.43Å; L572-Y575 PolarHBondContact O-N 2.88Å; L572-M576 HydrophobicContact CD1-CG 4.27Å; L572-M576 HydrophobicContact CG-CG 4.39Å; L572-M576 WeakPolarHBondContact O-CB 3.42Å; L572-M576 VanDerWaalsContact O-CG 3.22Å; L572-M576 WeakPolarHBondContact O-CG 3.47Å; L572-M576 PolarHBondContact O-N 3.23Å
573	N	93.9	Very high	93.2	Very high	15 Å²	15	25.7 Å²	25.7	8%	0.08	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-48.9	171.4	-80.7	-34.4	0	0	0	111.3	G566 L568 P569 K570 M576 L577 K611	G566-N573 WeakPolarHBondContact CA-OD1 3.44Å; G566-N573 PolarHBondContact N-OD1 2.73Å; L568-N573 WeakPolarHBondContact CA-OD1 3.24Å; L568-N573 WeakPolarHBondContact CB-OD1 3.38Å; L568-N573 WeakPolarHBondContact CG-OD1 3.29Å; L568-N573 PolarHBondContact N-OD1 3.41Å; L568-N573 PolarHBondContact O-ND2 3.49Å; P569-N573 PolarHBondContact O-N 2.64Å; K570-N573 WeakPolarHBondContact O-CB 3.27Å; K570-N573 PolarHBondContact O-N 2.91Å; N573-M576 PolarHBondContact O-N 3.17Å; N573-L577 WeakPolarHBondContact O-CB 3.28Å; N573-L577 PolarHBondContact O-N 2.99Å; N573-K611 HydrophobicContact CB-CB 4.31Å; N573-K611 HydrophobicContact CB-CG 4.25Å
574	K	93.6	Very high	93.1	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-44.8	-179.7	176	60.8	175.5	172.7	0	111.2	K570 E571 L572 L577 S578 G613 S615 E874	K570-K574 PolarHBondContact O-N 2.83Å; E571-K574 PolarHBondContact O-N 2.9Å; L572-K574 VanDerWaalsContact C-N 3.33Å; L572-K574 PolarHBondContact O-N 2.76Å; K574-L577 PolarHBondContact O-N 2.99Å; K574-S578 WeakPolarHBondContact O-CB 3.48Å; K574-S578 PolarHBondContact O-N 3.02Å; K574-S578 PolarHBondContact O-OG 3.29Å; K574-S578 VanDerWaalsContact O-OG 3.05Å; K574-G613 WeakPolarHBondContact CE-O 3.32Å; K574-S615 WeakPolarHBondContact CE-O 3.36Å; K574-S615 VanDerWaalsContact CG-O 3.22Å; K574-S615 WeakPolarHBondContact CG-O 3.42Å; K574-E874 WeakPolarHBondContact CE-OE2 3.34Å; K574-E874 IonicContact NZ-OE1 2.69Å; K574-E874 PolarHBondContact NZ-OE1 2.96Å; K574-E874 IonicContact NZ-OE2 2.66Å; K574-E874 PolarHBondContact NZ-OE2 2.99Å
575	Y	95	Very high	93	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.3	-52	175.8	-178.2	-98.5	0	0	0	112.1	A542 E571 L572 L577 S578 K579 D635 I636 L637 R646	A542-Y575 HydrophobicContact CB-CD1 4.08Å; A542-Y575 HydrophobicContact CB-CE1 3.67Å; E571-Y575 WeakPolarHBondContact O-CB 3.5Å; E571-Y575 PolarHBondContact O-N 2.85Å; L572-Y575 HydrophobicContact CD1-CD1 4.43Å; L572-Y575 PolarHBondContact O-N 2.88Å; Y575-L577 VanDerWaalsContact C-N 3.33Å; Y575-L577 PolarHBondContact O-N 2.84Å; Y575-S578 PolarHBondContact O-N 3.05Å; Y575-K579 WeakPolarHBondContact O-CB 3.24Å; Y575-K579 PolarHBondContact O-N 3.24Å; Y575-D635 HydrophobicContact CE2-CB 4.1Å; Y575-I636 WeakPolarHBondContact CD2-O 3.04Å; Y575-L637 HydrophobicContact CD2-CB 4.2Å; Y575-L637 HydrophobicContact CD2-CD1 4.32Å; Y575-L637 HydrophobicContact CE2-CB 4.45Å; Y575-L637 HydrophobicContact CG-CD1 4.08Å; Y575-R646 PolarHBondContact OH-NH2 2.83Å
576	M	95.8	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-40.3	-179.3	-70.2	-57.6	-49.1	0	0	112.4	Y529 A545 F549 V561 I565 L568 L572 N573 K579 V580	Y529-M576 HydrophobicContact CE2-CE 3.97Å; Y529-M576 HydrophobicContact CE2-CG 4.4Å; Y529-M576 HydrophobicContact CE2-SD 3.76Å; Y529-M576 VanDerWaalsContact OH-CE 3.32Å; Y529-M576 WeakPolarHBondContact OH-CE 3.25Å; A545-M576 HydrophobicContact CB-CE 3.63Å; A545-M576 HydrophobicContact CB-SD 3.54Å; A545-M576 VanDerWaalsContact CB-SD 3.54Å; F549-M576 HydrophobicContact CE2-CE 3.61Å; F549-M576 HydrophobicContact CZ-CE 3.97Å; V561-M576 HydrophobicContact CG1-CE 3.47Å; V561-M576 VanDerWaalsContact CG1-CE 3.47Å; I565-M576 HydrophobicContact CD1-CB 4.3Å; I565-M576 HydrophobicContact CG1-CB 4.01Å; L568-M576 HydrophobicContact CD1-CB 4.41Å; L568-M576 HydrophobicContact CD1-CG 3.82Å; L572-M576 HydrophobicContact CD1-CG 4.27Å; L572-M576 HydrophobicContact CG-CG 4.39Å; L572-M576 WeakPolarHBondContact O-CB 3.42Å; L572-M576 VanDerWaalsContact O-CG 3.22Å; L572-M576 WeakPolarHBondContact O-CG 3.47Å; L572-M576 PolarHBondContact O-N 3.23Å; N573-M576 PolarHBondContact O-N 3.17Å; M576-K579 PolarHBondContact O-N 2.96Å; M576-V580 WeakPolarHBondContact O-CG2 3.32Å; M576-V580 PolarHBondContact O-N 2.85Å
577	L	95	Very high	93	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-46.7	173.8	175.9	63	0	0	0	111.6	I565 N573 K574 Y575 K579 V580 K581 F609 K611	I565-L577 HydrophobicContact CG2-CB 4.28Å; N573-L577 WeakPolarHBondContact O-CB 3.28Å; N573-L577 PolarHBondContact O-N 2.99Å; K574-L577 PolarHBondContact O-N 2.99Å; Y575-L577 VanDerWaalsContact C-N 3.33Å; Y575-L577 PolarHBondContact O-N 2.84Å; L577-K579 VanDerWaalsContact C-N 3.31Å; L577-K579 PolarHBondContact O-N 3.11Å; L577-V580 PolarHBondContact O-N 2.83Å; L577-K581 HydrophobicContact CD1-CD 4.48Å; L577-K581 HydrophobicContact CG-CD 4.41Å; L577-K581 WeakPolarHBondContact O-CG 3.43Å; L577-K581 PolarHBondContact O-N 3.25Å; L577-F609 HydrophobicContact CD1-CB 4.09Å; L577-F609 HydrophobicContact CD1-CD1 3.56Å; L577-F609 HydrophobicContact CD1-CD2 4.13Å; L577-F609 HydrophobicContact CD1-CE1 3.92Å; L577-F609 HydrophobicContact CD1-CE2 4.45Å; L577-F609 HydrophobicContact CD1-CG 3.66Å; L577-F609 HydrophobicContact CD1-CZ 4.34Å; L577-F609 WeakPolarHBondContact CD2-O 3.37Å; L577-K611 HydrophobicContact CD2-CB 4.04Å; L577-K611 HydrophobicContact CD2-CG 4.3Å
578	S	94.7	Very high	93	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-41	176.7	-65.1	0	0	0	0	111.1	K574 Y575 K581 D582 S615	K574-S578 WeakPolarHBondContact O-CB 3.48Å; K574-S578 PolarHBondContact O-N 3.02Å; K574-S578 PolarHBondContact O-OG 3.29Å; K574-S578 VanDerWaalsContact O-OG 3.05Å; Y575-S578 PolarHBondContact O-N 3.05Å; S578-K581 PolarHBondContact O-N 2.98Å; S578-D582 WeakPolarHBondContact O-CB 3.3Å; S578-D582 PolarHBondContact O-N 2.94Å; S578-S615 PolarHBondContact OG-O 3Å
579	K	94.6	Very high	92.8	Very high	17 Å²	17	38.3 Å²	38.3	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-43.6	177.9	-163.5	58.8	158.5	-177	0	112.5	D546 F549 Y575 M576 L577 D582 I583 A617 D635	D546-K579 WeakPolarHBondContact OD1-CE 3.28Å; D546-K579 IonicContact OD1-NZ 3.04Å; F549-K579 HydrophobicContact CD2-CG 4.24Å; F549-K579 HydrophobicContact CE2-CG 4.23Å; Y575-K579 WeakPolarHBondContact O-CB 3.24Å; Y575-K579 PolarHBondContact O-N 3.24Å; M576-K579 PolarHBondContact O-N 2.96Å; L577-K579 VanDerWaalsContact C-N 3.31Å; L577-K579 PolarHBondContact O-N 3.11Å; K579-D582 PolarHBondContact O-N 2.59Å; K579-I583 HydrophobicContact CG-CD1 4.38Å; K579-I583 VanDerWaalsContact O-CG1 3.31Å; K579-I583 WeakPolarHBondContact O-CG1 3.49Å; K579-I583 PolarHBondContact O-N 3.49Å; K579-A617 HydrophobicContact CB-CB 4.33Å; K579-A617 HydrophobicContact CD-CB 3.92Å; K579-D635 IonicContact NZ-OD1 3.2Å; K579-D635 PolarHBondContact NZ-OD1 3.42Å; K579-D635 IonicContact NZ-OD2 2.72Å; K579-D635 PolarHBondContact NZ-OD2 3.44Å
580	V	94.9	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-44	174.2	166.9	0	0	0	0	111.1	F549 L562 I565 M576 L577 D582 I583 L584 L594 M598 F609	F549-V580 HydrophobicContact CE1-CG2 4.48Å; F549-V580 HydrophobicContact CZ-CG2 3.91Å; L562-V580 HydrophobicContact CD2-CG1 4.05Å; L562-V580 HydrophobicContact CD2-CG2 4.07Å; I565-V580 HydrophobicContact CD1-CG2 4.27Å; M576-V580 WeakPolarHBondContact O-CG2 3.32Å; M576-V580 PolarHBondContact O-N 2.85Å; L577-V580 PolarHBondContact O-N 2.83Å; V580-D582 VanDerWaalsContact C-N 3.34Å; V580-D582 PolarHBondContact O-N 3.06Å; V580-I583 PolarHBondContact O-N 2.79Å; V580-L584 HydrophobicContact CG1-CD1 3.99Å; V580-L584 WeakPolarHBondContact O-CD1 3.49Å; V580-L584 VanDerWaalsContact O-CG 3.26Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 2.85Å; V580-L584 VanDerWaalsContact O-N 3.13Å; V580-L594 HydrophobicContact CG1-CD2 4.06Å; V580-L594 HydrophobicContact CG2-CD2 4.23Å; V580-M598 HydrophobicContact CG1-SD 4.5Å; V580-F609 HydrophobicContact CG1-CE1 4.44Å; V580-F609 HydrophobicContact CG1-CZ 4.25Å
581	K	93.7	Very high	93.1	Very high	94 Å²	94	32.1 Å²	32.1	41%	0.409	16%	0.163	S	C	.	.	H	α-helix	trans	-62	-41.8	176.6	-74.5	178.9	179.4	178.1	0	111.6	L577 S578 L584 H585	L577-K581 HydrophobicContact CD1-CD 4.48Å; L577-K581 HydrophobicContact CG-CD 4.41Å; L577-K581 WeakPolarHBondContact O-CG 3.43Å; L577-K581 PolarHBondContact O-N 3.25Å; S578-K581 PolarHBondContact O-N 2.98Å; K581-L584 PolarHBondContact O-N 3.42Å; K581-H585 VanDerWaalsContact O-CB 3.28Å; K581-H585 WeakPolarHBondContact O-CB 3.47Å; K581-H585 PolarHBondContact O-N 3.37Å
582	D	95.3	Very high	93.2	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-45.1	178.4	-170.7	45.7	0	0	0	112.1	S578 K579 V580 L584 H585 F586 M588 A617 F618 S619	S578-D582 WeakPolarHBondContact O-CB 3.3Å; S578-D582 PolarHBondContact O-N 2.94Å; K579-D582 PolarHBondContact O-N 2.59Å; V580-D582 VanDerWaalsContact C-N 3.34Å; V580-D582 PolarHBondContact O-N 3.06Å; D582-L584 VanDerWaalsContact C-N 3.29Å; D582-L584 PolarHBondContact O-N 3.25Å; D582-H585 PolarHBondContact O-N 3.15Å; D582-H585 VanDerWaalsContact O-N 3.17Å; D582-F586 WeakPolarHBondContact O-CB 3.43Å; D582-F586 PolarHBondContact O-N 2.87Å; D582-M588 WeakPolarHBondContact OD2-CE 3.28Å; D582-A617 HydrophobicContact CB-CB 4.32Å; D582-F618 WeakPolarHBondContact OD1-CA 3.42Å; D582-S619 WeakPolarHBondContact OD1-CB 3.39Å; D582-S619 PolarHBondContact OD1-N 3.31Å; D582-S619 WeakPolarHBondContact OD2-CB 3.27Å; D582-S619 PolarHBondContact OD2-N 3.17Å; D582-S619 PolarHBondContact OD2-OG 3.08Å
583	I	94.4	Very high	93.3	Very high	3 Å²	3	42 Å²	42	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-54.8	-47.8	174.8	-71.6	162.5	0	0	0	110.5	F549 K579 V580 E587 M588 A590 S591 L594	F549-I583 HydrophobicContact CB-CD1 3.83Å; F549-I583 HydrophobicContact CD1-CD1 3.71Å; F549-I583 HydrophobicContact CD2-CD1 3.83Å; F549-I583 HydrophobicContact CE1-CD1 4.16Å; F549-I583 HydrophobicContact CE2-CD1 4.26Å; F549-I583 HydrophobicContact CG-CD1 3.53Å; F549-I583 HydrophobicContact CZ-CD1 4.4Å; K579-I583 HydrophobicContact CG-CD1 4.38Å; K579-I583 VanDerWaalsContact O-CG1 3.31Å; K579-I583 WeakPolarHBondContact O-CG1 3.49Å; K579-I583 PolarHBondContact O-N 3.49Å; V580-I583 PolarHBondContact O-N 2.79Å; I583-E587 WeakPolarHBondContact O-CA 3.26Å; I583-E587 PolarHBondContact O-N 3.48Å; I583-M588 HydrophobicContact CB-CB 4.48Å; I583-M588 HydrophobicContact CB-SD 4.43Å; I583-M588 HydrophobicContact CG1-CB 4.43Å; I583-M588 HydrophobicContact CG1-CG 4.49Å; I583-M588 HydrophobicContact CG1-SD 3.74Å; I583-M588 HydrophobicContact CG2-CB 4.08Å; I583-M588 PolarHBondContact O-N 2.9Å; I583-M588 VanDerWaalsContact O-N 3.14Å; I583-A590 HydrophobicContact CG2-CB 4.32Å; I583-S591 WeakPolarHBondContact CG2-OG 3.41Å; I583-S591 PolarHBondContact O-OG 2.87Å; I583-L594 HydrophobicContact CB-CD1 3.98Å; I583-L594 HydrophobicContact CD1-CD1 4.07Å; I583-L594 HydrophobicContact CG2-CD1 3.33Å
584	L	93.6	Very high	93.2	Very high	35 Å²	35	41.3 Å²	41.3	18%	0.183	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-37.6	179.9	-66.9	165.9	0	0	0	113	V580 K581 D582 L594 R595 M598	V580-L584 HydrophobicContact CG1-CD1 3.99Å; V580-L584 WeakPolarHBondContact O-CD1 3.49Å; V580-L584 VanDerWaalsContact O-CG 3.26Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 2.85Å; V580-L584 VanDerWaalsContact O-N 3.13Å; K581-L584 PolarHBondContact O-N 3.42Å; D582-L584 VanDerWaalsContact C-N 3.29Å; D582-L584 PolarHBondContact O-N 3.25Å; L584-L594 HydrophobicContact CD2-CB 4.05Å; L584-R595 HydrophobicContact CD2-CG 3.62Å; L584-M598 HydrophobicContact CD1-CE 3.88Å; L584-M598 HydrophobicContact CD1-SD 3.49Å; L584-M598 WeakPolarHBondContact CD1-SD 3.32Å; L584-M598 HydrophobicContact CD2-SD 4.27Å; L584-M598 HydrophobicContact CG-SD 4.46Å
585	H	92.9	Very high	93.3	Very high	122 Å²	122	46.9 Å²	46.9	57%	0.565	22%	0.224	S	C	*	.	H	α-helix	trans	-68.8	-46.3	179.3	175.3	67.3	0	0	0	111.7	K581 D582 E587	K581-H585 VanDerWaalsContact O-CB 3.28Å; K581-H585 WeakPolarHBondContact O-CB 3.47Å; K581-H585 PolarHBondContact O-N 3.37Å; D582-H585 PolarHBondContact O-N 3.15Å; D582-H585 VanDerWaalsContact O-N 3.17Å; H585-E587 VanDerWaalsContact C-N 3.34Å
586	F	92.4	Very high	93.3	Very high	49 Å²	49	51.9 Å²	51.9	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-91.4	3.1	-175.4	-154.7	-106.7	0	0	0	113.6	D582 M588 S619 F621 T631	D582-F586 WeakPolarHBondContact O-CB 3.43Å; D582-F586 PolarHBondContact O-N 2.87Å; F586-M588 VanDerWaalsContact C-N 3.29Å; F586-M588 HydrophobicContact CB-CE 4.1Å; F586-M588 HydrophobicContact CB-CG 4.24Å; F586-M588 HydrophobicContact CD1-CE 4.22Å; F586-M588 HydrophobicContact CD1-CG 4.26Å; F586-M588 HydrophobicContact CG-CE 4.48Å; F586-M588 PolarHBondContact O-N 2.89Å; F586-S619 WeakPolarHBondContact CD2-O 3.37Å; F586-F621 HydrophobicContact CD2-CE2 4.34Å; F586-F621 AromaticContact CE2-CD2 3.86Å; F586-F621 HydrophobicContact CE2-CD2 3.86Å; F586-F621 HydrophobicContact CE2-CE1 4.22Å; F586-F621 AromaticContact CE2-CE2 3.49Å; F586-F621 HydrophobicContact CE2-CE2 3.49Å; F586-F621 VanDerWaalsContact CE2-CE2 3.49Å; F586-F621 HydrophobicContact CE2-CG 4.37Å; F586-F621 AromaticContact CE2-CZ 3.68Å; F586-F621 HydrophobicContact CE2-CZ 3.68Å; F586-F621 HydrophobicContact CZ-CD1 4.3Å; F586-F621 HydrophobicContact CZ-CD2 4.39Å; F586-F621 AromaticContact CZ-CE1 3.81Å; F586-F621 HydrophobicContact CZ-CE1 3.81Å; F586-F621 AromaticContact CZ-CE2 3.93Å; F586-F621 HydrophobicContact CZ-CE2 3.93Å; F586-F621 AromaticContact CZ-CZ 3.61Å; F586-F621 HydrophobicContact CZ-CZ 3.61Å; F586-T631 HydrophobicContact CE1-CG2 4.19Å; F586-T631 HydrophobicContact CZ-CG2 3.63Å
587	E	91.4	Very high	93.1	Very high	133 Å²	133	51.9 Å²	51.9	62%	0.621	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.7	179.4	-52.3	-154.6	125.5	0	0	114	I583 H585 S591 R595	I583-E587 WeakPolarHBondContact O-CA 3.26Å; I583-E587 PolarHBondContact O-N 3.48Å; H585-E587 VanDerWaalsContact C-N 3.34Å; E587-S591 VanDerWaalsContact C-OG 3.27Å; E587-S591 WeakPolarHBondContact CA-OG 3.28Å; E587-R595 IonicContact OE1-CZ 2.97Å; E587-R595 IonicContact OE1-NH1 3.9Å; E587-R595 IonicContact OE1-NH2 3.95Å; E587-R595 PolarHBondContact OE1-NH2 3.5Å
588	M	89.8	Confident	93	Very high	47 Å²	47	53 Å²	53	23%	0.232	25%	0.253	C	S	.	.			trans	-62.5	163.4	178	-54.8	-175.4	-175.6	0	0	111.6	D582 I583 F586 A590 S591 S619	D582-M588 WeakPolarHBondContact OD2-CE 3.28Å; I583-M588 HydrophobicContact CB-CB 4.48Å; I583-M588 HydrophobicContact CB-SD 4.43Å; I583-M588 HydrophobicContact CG1-CB 4.43Å; I583-M588 HydrophobicContact CG1-CG 4.49Å; I583-M588 HydrophobicContact CG1-SD 3.74Å; I583-M588 HydrophobicContact CG2-CB 4.08Å; I583-M588 PolarHBondContact O-N 2.9Å; I583-M588 VanDerWaalsContact O-N 3.14Å; F586-M588 VanDerWaalsContact C-N 3.29Å; F586-M588 HydrophobicContact CB-CE 4.1Å; F586-M588 HydrophobicContact CB-CG 4.24Å; F586-M588 HydrophobicContact CD1-CE 4.22Å; F586-M588 HydrophobicContact CD1-CG 4.26Å; F586-M588 HydrophobicContact CG-CE 4.48Å; F586-M588 PolarHBondContact O-N 2.89Å; M588-A590 VanDerWaalsContact C-N 3.27Å; M588-A590 PolarHBondContact O-N 2.92Å; M588-S591 PolarHBondContact N-OG 2.87Å; M588-S591 VanDerWaalsContact N-OG 3.11Å; M588-S591 WeakPolarHBondContact O-CB 3.44Å; M588-S591 PolarHBondContact O-N 2.92Å; M588-S591 PolarHBondContact O-OG 3.29Å; M588-S619 WeakPolarHBondContact CE-OG 3.38Å
589	P	87.3	Confident	92.9	Very high	126 Å²	126	61.2 Å²	61.2	82%	0.818	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.8	-172	-30.8	37	0	0	0	115.8	S591	P589-S591 PolarHBondContact O-N 2.77Å
590	A	90.6	Very high	92.7	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.017	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.3	178.8	0	0	0	0	0	114.8	P553 I583 M588 K592 I593 L594	P553-A590 HydrophobicContact CG-CB 3.92Å; I583-A590 HydrophobicContact CG2-CB 4.32Å; M588-A590 VanDerWaalsContact C-N 3.27Å; M588-A590 PolarHBondContact O-N 2.92Å; A590-K592 VanDerWaalsContact C-N 3.32Å; A590-K592 PolarHBondContact O-N 2.8Å; A590-I593 PolarHBondContact O-N 2.7Å; A590-L594 HydrophobicContact CB-CD1 4.22Å; A590-L594 PolarHBondContact O-N 3.23Å
591	S	93.3	Very high	92.6	Very high	7 Å²	7	69.2 Å²	69.2	5%	0.049	33%	0.328	C	S	.	.	H	α-helix	trans	-57.3	-40.1	-173.2	-63.9	0	0	0	0	113.8	I583 E587 M588 P589 I593 L594 R595	I583-S591 WeakPolarHBondContact CG2-OG 3.41Å; I583-S591 PolarHBondContact O-OG 2.87Å; E587-S591 VanDerWaalsContact C-OG 3.27Å; E587-S591 WeakPolarHBondContact CA-OG 3.28Å; M588-S591 PolarHBondContact N-OG 2.87Å; M588-S591 VanDerWaalsContact N-OG 3.11Å; M588-S591 WeakPolarHBondContact O-CB 3.44Å; M588-S591 PolarHBondContact O-N 2.92Å; M588-S591 PolarHBondContact O-OG 3.29Å; P589-S591 PolarHBondContact O-N 2.77Å; S591-I593 PolarHBondContact O-N 2.62Å; S591-L594 PolarHBondContact O-N 2.92Å; S591-R595 WeakPolarHBondContact O-CB 3.45Å; S591-R595 VanDerWaalsContact O-CG 3.3Å; S591-R595 WeakPolarHBondContact O-CG 3.31Å; S591-R595 PolarHBondContact O-N 3.22Å
592	K	93.4	Very high	92.5	Very high	173 Å²	173	70 Å²	70	75%	0.752	34%	0.336	S	S	*	.	H	α-helix	trans	-63.5	-43.6	-177.9	-174.6	179.7	177.9	-176.8	0	111.4	A590 Q596	A590-K592 VanDerWaalsContact C-N 3.32Å; A590-K592 PolarHBondContact O-N 2.8Å; K592-Q596 PolarHBondContact O-N 2.93Å; K592-Q596 VanDerWaalsContact O-N 3.13Å
593	I	93.1	Very high	92.1	Very high	36 Å²	36	69.8 Å²	69.8	19%	0.185	34%	0.335	C	S	.	.	H	α-helix	trans	-74.4	-37.9	-178.6	-60.1	177.2	0	0	0	110	P553 V558 A590 S591 Q596 A597	P553-I593 WeakPolarHBondContact O-CD1 3.4Å; V558-I593 HydrophobicContact CB-CG2 4.21Å; V558-I593 HydrophobicContact CG2-CG2 3.8Å; A590-I593 PolarHBondContact O-N 2.7Å; S591-I593 PolarHBondContact O-N 2.62Å; I593-Q596 WeakPolarHBondContact O-CB 3.42Å; I593-Q596 PolarHBondContact O-N 2.85Å; I593-A597 PolarHBondContact O-N 2.87Å
594	L	93.6	Very high	92.1	Very high	1 Å²	1	73.4 Å²	73.4	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-58.3	-50.2	170.6	-84.4	160.8	0	0	0	112.3	F549 V558 L562 V580 I583 L584 A590 S591 Q596 A597 M598	F549-L594 HydrophobicContact CE1-CD1 4.37Å; F549-L594 HydrophobicContact CE1-CD2 4.4Å; V558-L594 HydrophobicContact CG1-CB 4.41Å; V558-L594 HydrophobicContact CG1-CD2 3.35Å; V558-L594 HydrophobicContact CG1-CG 3.7Å; L562-L594 HydrophobicContact CD1-CD2 4.29Å; L562-L594 HydrophobicContact CD2-CD2 4.21Å; L562-L594 HydrophobicContact CG-CD2 4.35Å; V580-L594 HydrophobicContact CG1-CD2 4.06Å; V580-L594 HydrophobicContact CG2-CD2 4.23Å; I583-L594 HydrophobicContact CB-CD1 3.98Å; I583-L594 HydrophobicContact CD1-CD1 4.07Å; I583-L594 HydrophobicContact CG2-CD1 3.33Å; L584-L594 HydrophobicContact CD2-CB 4.05Å; A590-L594 HydrophobicContact CB-CD1 4.22Å; A590-L594 PolarHBondContact O-N 3.23Å; S591-L594 PolarHBondContact O-N 2.92Å; L594-Q596 PolarHBondContact O-N 3.43Å; L594-A597 PolarHBondContact O-N 3.14Å; L594-A597 VanDerWaalsContact O-N 3.12Å; L594-M598 WeakPolarHBondContact O-CB 3.41Å; L594-M598 VanDerWaalsContact O-CG 3.22Å; L594-M598 WeakPolarHBondContact O-CG 3.48Å; L594-M598 PolarHBondContact O-N 2.79Å
595	R	94.5	Very high	92	Very high	122 Å²	122	73.6 Å²	73.6	46%	0.46	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-34.4	175.8	-71.7	177.2	-170.9	162.7	3.1	111.8	L584 E587 S591	L584-R595 HydrophobicContact CD2-CG 3.62Å; E587-R595 IonicContact OE1-CZ 2.97Å; E587-R595 IonicContact OE1-NH1 3.9Å; E587-R595 IonicContact OE1-NH2 3.95Å; E587-R595 PolarHBondContact OE1-NH2 3.5Å; S591-R595 WeakPolarHBondContact O-CB 3.45Å; S591-R595 VanDerWaalsContact O-CG 3.3Å; S591-R595 WeakPolarHBondContact O-CG 3.31Å; S591-R595 PolarHBondContact O-N 3.22Å
596	Q	94.2	Very high	91.9	Very high	106 Å²	106	76.9 Å²	76.9	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-69.8	-45.9	174.5	-178.3	179.6	-8.1	0	0	112.2	Y555 K592 I593 L594 M598 K599	Y555-Q596 HydrophobicContact CD2-CG 4.17Å; Y555-Q596 HydrophobicContact CE2-CG 4.19Å; K592-Q596 PolarHBondContact O-N 2.93Å; K592-Q596 VanDerWaalsContact O-N 3.13Å; I593-Q596 WeakPolarHBondContact O-CB 3.42Å; I593-Q596 PolarHBondContact O-N 2.85Å; L594-Q596 PolarHBondContact O-N 3.43Å; Q596-M598 VanDerWaalsContact C-N 3.27Å; Q596-M598 PolarHBondContact O-N 3.05Å; Q596-K599 WeakPolarHBondContact O-CB 3.49Å; Q596-K599 PolarHBondContact O-N 2.98Å
597	A	92.5	Very high	91.9	Very high	0 Å²	0	79.5 Å²	79.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-32.1	178	0	0	0	0	0	112.5	Y555 V558 L562 I593 L594 K599 D600 S603	Y555-A597 HydrophobicContact CD2-CB 4.35Å; Y555-A597 HydrophobicContact CE2-CB 4.07Å; V558-A597 HydrophobicContact CG1-CB 3.79Å; L562-A597 HydrophobicContact CD1-CB 3.78Å; I593-A597 PolarHBondContact O-N 2.87Å; L594-A597 PolarHBondContact O-N 3.14Å; L594-A597 VanDerWaalsContact O-N 3.12Å; A597-K599 VanDerWaalsContact C-N 3.29Å; A597-K599 PolarHBondContact O-N 3.19Å; A597-D600 PolarHBondContact O-N 2.88Å; A597-S603 PolarHBondContact O-OG 3.07Å
598	M	92.3	Very high	91.9	Very high	24 Å²	24	74.7 Å²	74.7	12%	0.118	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.6	178.2	-69.2	174.7	70	0	0	114.9	L562 V580 L584 L594 Q596 D600 H604 F609	L562-M598 HydrophobicContact CD1-CG 3.96Å; V580-M598 HydrophobicContact CG1-SD 4.5Å; L584-M598 HydrophobicContact CD1-CE 3.88Å; L584-M598 HydrophobicContact CD1-SD 3.49Å; L584-M598 WeakPolarHBondContact CD1-SD 3.32Å; L584-M598 HydrophobicContact CD2-SD 4.27Å; L584-M598 HydrophobicContact CG-SD 4.46Å; L594-M598 WeakPolarHBondContact O-CB 3.41Å; L594-M598 VanDerWaalsContact O-CG 3.22Å; L594-M598 WeakPolarHBondContact O-CG 3.48Å; L594-M598 PolarHBondContact O-N 2.79Å; Q596-M598 VanDerWaalsContact C-N 3.27Å; Q596-M598 PolarHBondContact O-N 3.05Å; M598-D600 PolarHBondContact O-N 3.33Å; M598-H604 HydrophobicContact CB-CB 3.88Å; M598-H604 HydrophobicContact CE-CB 4.41Å; M598-H604 VanDerWaalsContact CE-CD2 3.44Å; M598-H604 WeakPolarHBondContact CE-CD2 3.33Å; M598-H604 WeakPolarHBondContact CE-NE2 3.19Å; M598-H604 HydrophobicContact CG-CB 4.15Å; M598-H604 WeakPolarHBondContact O-CB 3.48Å; M598-H604 PolarHBondContact O-ND1 3.44Å; M598-F609 HydrophobicContact CE-CE1 3.58Å; M598-F609 HydrophobicContact CE-CZ 3.58Å; M598-F609 HydrophobicContact SD-CZ 4.29Å
599	K	93.1	Very high	92	Very high	183 Å²	183	73.7 Å²	73.7	80%	0.796	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.8	169.1	-69.6	-175.4	177.8	-176.3	0	112.3	Q596 A597	Q596-K599 WeakPolarHBondContact O-CB 3.49Å; Q596-K599 PolarHBondContact O-N 2.98Å; A597-K599 VanDerWaalsContact C-N 3.29Å; A597-K599 PolarHBondContact O-N 3.19Å
600	D	91.6	Very high	92.1	Very high	42 Å²	42	71.7 Å²	71.7	23%	0.225	34%	0.337	C	S	.	.	S	Bend	trans	-80.2	123.6	175.8	-176.6	-6.7	0	0	0	109.7	K559 A597 M598 I602 S603 H604	K559-D600 WeakPolarHBondContact CE-OD2 3.13Å; K559-D600 IonicContact NZ-OD2 3.79Å; K559-D600 PolarHBondContact NZ-OD2 2.84Å; A597-D600 PolarHBondContact O-N 2.88Å; M598-D600 PolarHBondContact O-N 3.33Å; D600-I602 PolarHBondContact O-N 2.6Å; D600-I602 WeakPolarHBondContact OD1-CB 3.12Å; D600-I602 WeakPolarHBondContact OD1-CG1 3.33Å; D600-I602 PolarHBondContact OD1-N 3.4Å; D600-S603 PolarHBondContact O-N 3.11Å; D600-S603 PolarHBondContact O-OG 3.04Å; D600-H604 PolarHBondContact O-N 3.11Å
601	M	91.9	Very high	92	Very high	144 Å²	144	73.7 Å²	73.7	71%	0.709	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.1	-178.6	-169.9	177.6	176.7	0	0	112.5	H604 N605	M601-H604 CarbonylContact O-C 3.59Å; M601-N605 PolarHBondContact O-ND2 3.29Å
602	I	90.8	Very high	91.7	Very high	110 Å²	110	78.6 Å²	78.6	56%	0.564	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-38.1	177.8	-58.8	174.3	0	0	0	110.7	L563 D600 N605 R608	L563-I602 HydrophobicContact CD2-CG2 3.92Å; D600-I602 PolarHBondContact O-N 2.6Å; D600-I602 WeakPolarHBondContact OD1-CB 3.12Å; D600-I602 WeakPolarHBondContact OD1-CG1 3.33Å; D600-I602 PolarHBondContact OD1-N 3.4Å; I602-N605 PolarHBondContact O-ND2 2.95Å; I602-R608 PolarHBondContact O-NE 3.28Å; I602-R608 PolarHBondContact O-NH2 3.4Å
603	S	87.9	Confident	91.4	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-24.6	179.1	63.1	0	0	0	0	112.5	A597 D600 R608	A597-S603 PolarHBondContact O-OG 3.07Å; D600-S603 PolarHBondContact O-N 3.11Å; D600-S603 PolarHBondContact O-OG 3.04Å; S603-R608 WeakPolarHBondContact O-CD 3.45Å
604	H	93.6	Very high	91.1	Very high	80 Å²	80	70.4 Å²	70.4	37%	0.37	35%	0.346	S	S	.	.	S	Bend	trans	-132.8	102.2	-178.9	-178.6	-141.5	0	0	0	111.8	M598 D600 M601 F609	M598-H604 HydrophobicContact CB-CB 3.88Å; M598-H604 HydrophobicContact CE-CB 4.41Å; M598-H604 VanDerWaalsContact CE-CD2 3.44Å; M598-H604 WeakPolarHBondContact CE-CD2 3.33Å; M598-H604 WeakPolarHBondContact CE-NE2 3.19Å; M598-H604 HydrophobicContact CG-CB 4.15Å; M598-H604 WeakPolarHBondContact O-CB 3.48Å; M598-H604 PolarHBondContact O-ND1 3.44Å; D600-H604 PolarHBondContact O-N 3.11Å; M601-H604 CarbonylContact O-C 3.59Å; H604-F609 AromaticContact CD2-CD1 3.96Å; H604-F609 AromaticContact CD2-CD2 3.82Å; H604-F609 AromaticContact CD2-CE1 3.87Å; H604-F609 AromaticContact CD2-CE2 3.72Å; H604-F609 AromaticContact CD2-CG 3.96Å; H604-F609 AromaticContact CD2-CZ 3.76Å
605	N	92.7	Very high	91	Very high	38 Å²	38	70.4 Å²	70.4	20%	0.203	35%	0.346	C	S	.	.	S	Bend	trans	-150.4	168.9	175	57	60.1	0	0	0	110.5	M601 I602 D607 R608 F609	M601-N605 PolarHBondContact O-ND2 3.29Å; I602-N605 PolarHBondContact O-ND2 2.95Å; N605-D607 VanDerWaalsContact C-N 3.31Å; N605-D607 PolarHBondContact O-N 3.3Å; N605-D607 WeakPolarHBondContact OD1-CB 3.42Å; N605-D607 PolarHBondContact OD1-N 2.99Å; N605-R608 PolarHBondContact O-N 3.37Å; N605-R608 WeakPolarHBondContact OD1-CB 3.24Å; N605-R608 PolarHBondContact OD1-N 3.31Å; N605-F609 WeakPolarHBondContact O-CB 3.24Å; N605-F609 PolarHBondContact O-N 2.87Å
606	Y	91.1	Very high	90.9	Very high	191 Å²	191	64.6 Å²	64.6	75%	0.749	32%	0.324	S	S	*	.	H	α-helix	trans	-63.8	-33.3	-177.1	60.7	-95.2	0	0	0	112.8	S610	Y606-S610 WeakPolarHBondContact O-CB 3.41Å; Y606-S610 PolarHBondContact O-N 2.69Å; Y606-S610 VanDerWaalsContact O-N 3.09Å; Y606-S610 PolarHBondContact O-OG 3.49Å
607	D	90.9	Very high	90.9	Very high	104 Å²	104	59.9 Å²	59.9	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-62.6	-47.3	177.1	171.1	64.9	0	0	0	110.9	N605 K611	N605-D607 VanDerWaalsContact C-N 3.31Å; N605-D607 PolarHBondContact O-N 3.3Å; N605-D607 WeakPolarHBondContact OD1-CB 3.42Å; N605-D607 PolarHBondContact OD1-N 2.99Å; D607-K611 VanDerWaalsContact O-CE 3.26Å; D607-K611 WeakPolarHBondContact O-CE 3.36Å; D607-K611 PolarHBondContact O-NZ 2.92Å; D607-K611 IonicContact OD1-NZ 3.35Å; D607-K611 IonicContact OD2-NZ 3.09Å
608	R	91	Very high	90.9	Very high	33 Å²	33	61.4 Å²	61.4	13%	0.125	31%	0.31	C	S	.	.	H	α-helix	trans	-71.4	-34	-178.3	-160	178.4	-68.8	-85.9	6.5	112.8	L562 L563 I565 I602 S603 N605 K611	L562-R608 VanDerWaalsContact O-CD 3.28Å; L562-R608 WeakPolarHBondContact O-CD 3.33Å; L562-R608 PolarHBondContact O-NH1 3.45Å; L563-R608 PolarHBondContact O-NH1 3.25Å; I565-R608 HydrophobicContact CB-CG 4.14Å; I565-R608 HydrophobicContact CG2-CG 4.15Å; I565-R608 WeakPolarHBondContact O-CG 3.49Å; I565-R608 PolarHBondContact O-NH1 3.22Å; I602-R608 PolarHBondContact O-NE 3.28Å; I602-R608 PolarHBondContact O-NH2 3.4Å; S603-R608 WeakPolarHBondContact O-CD 3.45Å; N605-R608 PolarHBondContact O-N 3.37Å; N605-R608 WeakPolarHBondContact OD1-CB 3.24Å; N605-R608 PolarHBondContact OD1-N 3.31Å; R608-K611 VanDerWaalsContact O-CE 3.32Å; R608-K611 WeakPolarHBondContact O-CE 3.46Å; R608-K611 WeakPolarHBondContact O-CG 3.36Å
609	F	92.1	Very high	91.1	Very high	26 Å²	26	60.5 Å²	60.5	11%	0.114	31%	0.306	C	S	.	.	H	α-helix	trans	-94.4	6.3	-176.4	-83.7	-122.9	0	0	0	114.3	L562 L577 V580 M598 H604 N605	L562-F609 HydrophobicContact CD2-CZ 4.29Å; L577-F609 HydrophobicContact CD1-CB 4.09Å; L577-F609 HydrophobicContact CD1-CD1 3.56Å; L577-F609 HydrophobicContact CD1-CD2 4.13Å; L577-F609 HydrophobicContact CD1-CE1 3.92Å; L577-F609 HydrophobicContact CD1-CE2 4.45Å; L577-F609 HydrophobicContact CD1-CG 3.66Å; L577-F609 HydrophobicContact CD1-CZ 4.34Å; L577-F609 WeakPolarHBondContact CD2-O 3.37Å; V580-F609 HydrophobicContact CG1-CE1 4.44Å; V580-F609 HydrophobicContact CG1-CZ 4.25Å; M598-F609 HydrophobicContact CE-CE1 3.58Å; M598-F609 HydrophobicContact CE-CZ 3.58Å; M598-F609 HydrophobicContact SD-CZ 4.29Å; H604-F609 AromaticContact CD2-CD1 3.96Å; H604-F609 AromaticContact CD2-CD2 3.82Å; H604-F609 AromaticContact CD2-CE1 3.87Å; H604-F609 AromaticContact CD2-CE2 3.72Å; H604-F609 AromaticContact CD2-CG 3.96Å; H604-F609 AromaticContact CD2-CZ 3.76Å; N605-F609 WeakPolarHBondContact O-CB 3.24Å; N605-F609 PolarHBondContact O-N 2.87Å
610	S	89.4	Confident	91.1	Very high	84 Å²	84	52.1 Å²	52.1	59%	0.587	27%	0.272	S	S	*	.			trans	-113.1	55.7	175.7	-54.7	0	0	0	0	111.6	Y606	Y606-S610 WeakPolarHBondContact O-CB 3.41Å; Y606-S610 PolarHBondContact O-N 2.69Å; Y606-S610 VanDerWaalsContact O-N 3.09Å; Y606-S610 PolarHBondContact O-OG 3.49Å
611	K	89.5	Confident	91.1	Very high	44 Å²	44	55 Å²	55	19%	0.191	28%	0.282	C	S	.	.			trans	-90.2	135.6	177.4	-55.3	-52.8	176.4	-164.4	0	111.3	I565 G566 N573 L577 D607 R608	I565-K611 HydrophobicContact CG2-CG 4.14Å; G566-K611 VanDerWaalsContact CA-CE 3.47Å; N573-K611 HydrophobicContact CB-CB 4.31Å; N573-K611 HydrophobicContact CB-CG 4.25Å; L577-K611 HydrophobicContact CD2-CB 4.04Å; L577-K611 HydrophobicContact CD2-CG 4.3Å; D607-K611 VanDerWaalsContact O-CE 3.26Å; D607-K611 WeakPolarHBondContact O-CE 3.36Å; D607-K611 PolarHBondContact O-NZ 2.92Å; D607-K611 IonicContact OD1-NZ 3.35Å; D607-K611 IonicContact OD2-NZ 3.09Å; R608-K611 VanDerWaalsContact O-CE 3.32Å; R608-K611 WeakPolarHBondContact O-CE 3.46Å; R608-K611 WeakPolarHBondContact O-CG 3.36Å
612	V	86.6	Confident	90.9	Very high	109 Å²	109	50.4 Å²	50.4	66%	0.661	26%	0.26	S	S	*	.			trans	-87.7	150.8	178.3	-63.5	0	0	0	0	111.1
613	G	86.5	Confident	90.7	Very high	23 Å²	23	47.2 Å²	47.2	24%	0.237	25%	0.25	C	C	.	.	S	Bend	trans	145.4	171.1	179.5	0	0	0	0	0	111.3	E571 K574	E571-G613 WeakPolarHBondContact OE1-CA 3.44Å; K574-G613 WeakPolarHBondContact CE-O 3.32Å
614	S	86.6	Confident	90.6	Very high	15 Å²	15	56.7 Å²	56.7	11%	0.105	29%	0.285	C	S	.	.	S	Bend	trans	-99.6	-12.2	-178	-60	0	0	0	0	113.6	E571 Y638	E571-S614 PolarHBondContact OE1-N 3.45Å; E571-S614 PolarHBondContact OE2-N 3.23Å; E571-S614 VanDerWaalsContact OE2-N 3.07Å; S614-Y638 WeakPolarHBondContact O-CE2 3.45Å
615	S	91.9	Very high	90	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.			trans	-62.8	144.4	-179.3	-62.7	0	0	0	0	112.9	E571 K574 S578 I636 Y638	E571-S615 PolarHBondContact O-OG 3.32Å; E571-S615 VanDerWaalsContact OE2-CB 3.28Å; E571-S615 WeakPolarHBondContact OE2-CB 3.23Å; E571-S615 PolarHBondContact OE2-N 2.79Å; E571-S615 PolarHBondContact OE2-OG 3.48Å; K574-S615 WeakPolarHBondContact CE-O 3.36Å; K574-S615 VanDerWaalsContact CG-O 3.22Å; K574-S615 WeakPolarHBondContact CG-O 3.42Å; S578-S615 PolarHBondContact OG-O 3Å; S615-I636 CarbonylContact C-O 3.58Å; S615-I636 VanDerWaalsContact CA-O 3.32Å; S615-I636 WeakPolarHBondContact CA-O 3.42Å; S615-I636 WeakPolarHBondContact CB-O 3.22Å; S615-Y638 PolarHBondContact OG-N 3.28Å; S615-Y638 VanDerWaalsContact OG-N 3.08Å
616	S	92.1	Very high	89.5	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159.5	-172.2	60.7	0	0	0	0	112.9	I636 H872	S616-I636 PolarHBondContact N-O 3.38Å; S616-I636 PolarHBondContact O-N 3.32Å; S616-H872 WeakPolarHBondContact CB-CE1 3.41Å; S616-H872 WeakPolarHBondContact CB-ND1 3.31Å; S616-H872 PolarHBondContact OG-CE1 3.17Å; S616-H872 PolarHBondContact OG-ND1 3.09Å
617	A	93.9	Very high	89.2	Confident	7 Å²	7	52.9 Å²	52.9	6%	0.058	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	129.6	173.5	0	0	0	0	0	106.9	K579 D582 L634 D635	K579-A617 HydrophobicContact CB-CB 4.33Å; K579-A617 HydrophobicContact CD-CB 3.92Å; D582-A617 HydrophobicContact CB-CB 4.32Å; A617-L634 WeakPolarHBondContact CA-O 3.45Å; A617-D635 WeakPolarHBondContact CB-OD1 3.29Å
618	F	94.4	Very high	89	Confident	32 Å²	32	48.8 Å²	48.8	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	132.9	-178.9	-174.3	-96.6	0	0	0	111.9	D582 Y632 S633 L634 P870 H872	D582-F618 WeakPolarHBondContact OD1-CA 3.42Å; F618-Y632 HydrophobicContact CD1-CE2 4.12Å; F618-Y632 HydrophobicContact CE1-CE2 4.14Å; F618-S633 CarbonylContact O-C 3.55Å; F618-S633 WeakPolarHBondContact O-CA 3.46Å; F618-L634 PolarHBondContact N-O 3.32Å; F618-L634 PolarHBondContact O-N 3.22Å; F618-P870 WeakPolarHBondContact CE1-O 3.49Å; F618-H872 HydrophobicContact CB-CB 4.18Å; F618-H872 HydrophobicContact CD2-CB 4.27Å; F618-H872 HydrophobicContact CG-CB 4.45Å
619	S	94.9	Very high	89	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.028	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.8	175.9	-62.5	0	0	0	0	111.1	D582 F586 M588 Y632	D582-S619 WeakPolarHBondContact OD1-CB 3.39Å; D582-S619 PolarHBondContact OD1-N 3.31Å; D582-S619 WeakPolarHBondContact OD2-CB 3.27Å; D582-S619 PolarHBondContact OD2-N 3.17Å; D582-S619 PolarHBondContact OD2-OG 3.08Å; F586-S619 WeakPolarHBondContact CD2-O 3.37Å; M588-S619 WeakPolarHBondContact CE-OG 3.38Å; S619-Y632 CarbonylContact C-O 3.52Å; S619-Y632 WeakPolarHBondContact CA-O 3.13Å
620	G	93.4	Very high	89	Confident	7 Å²	7	50 Å²	50	7%	0.072	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	168.7	-179.3	0	0	0	0	0	113.4	T631 Y632	G620-T631 CarbonylContact O-C 3.56Å; G620-T631 VanDerWaalsContact O-CA 3.24Å; G620-T631 WeakPolarHBondContact O-CA 3.42Å; G620-T631 WeakPolarHBondContact O-CB 3.15Å; G620-Y632 VanDerWaalsContact C-CE1 3.46Å; G620-Y632 PolarHBondContact N-O 3.18Å; G620-Y632 WeakPolarHBondContact O-CD1 3.29Å; G620-Y632 PolarHBondContact O-N 3.02Å
621	F	92.2	Very high	89.1	Confident	102 Å²	102	47 Å²	47	45%	0.447	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.9	175.2	-67.7	-78.9	0	0	0	110.5	F586 T629 T631	F586-F621 HydrophobicContact CD2-CE2 4.34Å; F586-F621 AromaticContact CE2-CD2 3.86Å; F586-F621 HydrophobicContact CE2-CD2 3.86Å; F586-F621 HydrophobicContact CE2-CE1 4.22Å; F586-F621 AromaticContact CE2-CE2 3.49Å; F586-F621 HydrophobicContact CE2-CE2 3.49Å; F586-F621 VanDerWaalsContact CE2-CE2 3.49Å; F586-F621 HydrophobicContact CE2-CG 4.37Å; F586-F621 AromaticContact CE2-CZ 3.68Å; F586-F621 HydrophobicContact CE2-CZ 3.68Å; F586-F621 HydrophobicContact CZ-CD1 4.3Å; F586-F621 HydrophobicContact CZ-CD2 4.39Å; F586-F621 AromaticContact CZ-CE1 3.81Å; F586-F621 HydrophobicContact CZ-CE1 3.81Å; F586-F621 AromaticContact CZ-CE2 3.93Å; F586-F621 HydrophobicContact CZ-CE2 3.93Å; F586-F621 AromaticContact CZ-CZ 3.61Å; F586-F621 HydrophobicContact CZ-CZ 3.61Å; F621-T629 HydrophobicContact CD1-CG2 3.71Å; F621-T629 HydrophobicContact CE1-CG2 3.66Å; F621-T631 HydrophobicContact CD1-CG2 3.76Å; F621-T631 HydrophobicContact CE1-CG2 3.83Å
622	M	88.2	Confident	89.3	Confident	49 Å²	49	45.1 Å²	45.1	24%	0.241	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-41.8	167.3	-59	-172.3	79.6	0	0	110.9	T630 Y632 I651 L812 F869	M622-T630 HydrophobicContact CB-CG2 4.03Å; M622-T630 HydrophobicContact CG-CG2 4.27Å; M622-T630 PolarHBondContact N-O 3.2Å; M622-T630 HydrophobicContact SD-CG2 3.93Å; M622-Y632 HydrophobicContact CG-CD1 3.46Å; M622-Y632 VanDerWaalsContact CG-CD1 3.46Å; M622-Y632 HydrophobicContact CG-CE1 4.34Å; M622-Y632 HydrophobicContact CG-CG 4.18Å; M622-I651 HydrophobicContact CE-CD1 4.47Å; M622-I651 HydrophobicContact SD-CD1 4.07Å; M622-I651 HydrophobicContact SD-CG1 4.3Å; M622-I651 HydrophobicContact SD-CG2 3.83Å; M622-L812 HydrophobicContact CE-CD1 4.28Å; M622-L812 HydrophobicContact CE-CD2 4.11Å; M622-F869 HydrophobicContact CB-CE1 4.24Å; M622-F869 HydrophobicContact CB-CZ 4.07Å; M622-F869 HydrophobicContact CE-CD2 4.38Å; M622-F869 HydrophobicContact CE-CE2 3.6Å; M622-F869 HydrophobicContact CE-CZ 3.94Å; M622-F869 HydrophobicContact CG-CZ 4.28Å
623	A	85.5	Confident	89.6	Confident	43 Å²	43	40.4 Å²	40.4	36%	0.355	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	138.9	-179.8	0	0	0	0	0	110.5	T630	A623-T630 PolarHBondContact N-O 3.39Å; A623-T630 PolarHBondContact O-N 2.93Å
624	R	85.4	Confident	89.9	Confident	198 Å²	198	39.4 Å²	39.4	75%	0.747	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	101.1	172.4	-164.6	174.6	77.1	-178	4.6	109.1	T629	R624-T629 HydrophobicContact CG-CG2 4.39Å
625	T	82.4	Confident	90.2	Very high	82 Å²	82	39 Å²	39	50%	0.503	22%	0.221	S	C	.	.			trans	-112.6	172	178.4	71	0	0	0	0	110.3	D627 A628	T625-D627 PolarHBondContact O-N 3.36Å; T625-D627 PolarHBondContact OG1-N 3.2Å; T625-A628 PolarHBondContact N-O 2.92Å; T625-A628 PolarHBondContact OG1-N 2.85Å; T625-A628 PolarHBondContact OG1-O 3.08Å
626	A	81.6	Confident	90.1	Very high	110 Å²	110	39.2 Å²	39.2	91%	0.909	22%	0.222	S	C	*	.	S	Bend	trans	-65.8	-27.3	176.3	0	0	0	0	0	113.1
627	D	84.4	Confident	90.1	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.203	22%	0.221	C	C	.	.	S	Bend	trans	-100.5	-31	-173.1	-64.3	-29.4	0	0	0	113	R245 T625 S655	R245-D627 WeakPolarHBondContact CD-OD1 3.44Å; R245-D627 HydrophobicContact CG-CB 4.42Å; R245-D627 WeakPolarHBondContact CG-OD1 3.44Å; R245-D627 PolarHBondContact N-OD2 3.33Å; T625-D627 PolarHBondContact O-N 3.36Å; T625-D627 PolarHBondContact OG1-N 3.2Å; D627-S655 WeakPolarHBondContact O-CB 3.42Å; D627-S655 PolarHBondContact O-OG 3.03Å
628	A	86.8	Confident	89.8	Confident	17 Å²	17	39.6 Å²	39.6	14%	0.14	22%	0.222	C	C	.	.			trans	-147.8	146.1	-177.1	0	0	0	0	0	112.4	T625 A654	T625-A628 PolarHBondContact N-O 2.92Å; T625-A628 PolarHBondContact OG1-N 2.85Å; T625-A628 PolarHBondContact OG1-O 3.08Å; A628-A654 VanDerWaalsContact CA-O 3.3Å; A628-A654 WeakPolarHBondContact CA-O 3.16Å
629	T	91.1	Very high	89.4	Confident	42 Å²	42	38.1 Å²	38.1	26%	0.258	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.2	170.2	-58.3	0	0	0	0	108.9	F621 R624 T631 A654	F621-T629 HydrophobicContact CD1-CG2 3.71Å; F621-T629 HydrophobicContact CE1-CG2 3.66Å; R624-T629 HydrophobicContact CG-CG2 4.39Å; T629-T631 HydrophobicContact CG2-CG2 4.22Å; T629-A654 PolarHBondContact N-O 2.89Å; T629-A654 PolarHBondContact O-N 3.34Å
630	T	91.2	Very high	88.8	Confident	42 Å²	42	39 Å²	39	26%	0.258	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.2	177.9	-53.5	0	0	0	0	109	M622 A623 I651 Y652	M622-T630 HydrophobicContact CB-CG2 4.03Å; M622-T630 HydrophobicContact CG-CG2 4.27Å; M622-T630 PolarHBondContact N-O 3.2Å; M622-T630 HydrophobicContact SD-CG2 3.93Å; A623-T630 PolarHBondContact N-O 3.39Å; A623-T630 PolarHBondContact O-N 2.93Å; T630-I651 HydrophobicContact CG2-CG2 3.91Å; T630-Y652 VanDerWaalsContact CA-O 3.3Å; T630-Y652 WeakPolarHBondContact CA-O 3.46Å; T630-Y652 WeakPolarHBondContact CG2-O 3.34Å
631	T	93.4	Very high	88	Confident	23 Å²	23	39.3 Å²	39.3	14%	0.141	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.3	-177.8	66.3	0	0	0	0	109.8	F586 G620 F621 T629 I651 Y652	F586-T631 HydrophobicContact CE1-CG2 4.19Å; F586-T631 HydrophobicContact CZ-CG2 3.63Å; G620-T631 CarbonylContact O-C 3.56Å; G620-T631 VanDerWaalsContact O-CA 3.24Å; G620-T631 WeakPolarHBondContact O-CA 3.42Å; G620-T631 WeakPolarHBondContact O-CB 3.15Å; F621-T631 HydrophobicContact CD1-CG2 3.76Å; F621-T631 HydrophobicContact CE1-CG2 3.83Å; T629-T631 HydrophobicContact CG2-CG2 4.22Å; T631-I651 WeakPolarHBondContact O-CA 3.37Å; T631-Y652 PolarHBondContact N-O 3.39Å; T631-Y652 PolarHBondContact O-N 3.49Å
632	Y	93.2	Very high	87.4	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.5	169.1	66.5	-83	0	0	0	109.2	F618 S619 G620 M622 N650 M831 F869 P870 L871	F618-Y632 HydrophobicContact CD1-CE2 4.12Å; F618-Y632 HydrophobicContact CE1-CE2 4.14Å; S619-Y632 CarbonylContact C-O 3.52Å; S619-Y632 WeakPolarHBondContact CA-O 3.13Å; G620-Y632 VanDerWaalsContact C-CE1 3.46Å; G620-Y632 PolarHBondContact N-O 3.18Å; G620-Y632 WeakPolarHBondContact O-CD1 3.29Å; G620-Y632 PolarHBondContact O-N 3.02Å; M622-Y632 HydrophobicContact CG-CD1 3.46Å; M622-Y632 VanDerWaalsContact CG-CD1 3.46Å; M622-Y632 HydrophobicContact CG-CE1 4.34Å; M622-Y632 HydrophobicContact CG-CG 4.18Å; Y632-N650 CarbonylContact C-O 3.4Å; Y632-N650 VanDerWaalsContact CA-O 3.24Å; Y632-N650 WeakPolarHBondContact CA-O 3.23Å; Y632-M831 HydrophobicContact CD2-CE 3.45Å; Y632-M831 VanDerWaalsContact CD2-CE 3.45Å; Y632-M831 HydrophobicContact CD2-SD 4.19Å; Y632-M831 HydrophobicContact CE2-CE 3.68Å; Y632-M831 HydrophobicContact CG-CE 4.16Å; Y632-M831 HydrophobicContact CG-SD 4.32Å; Y632-F869 HydrophobicContact CE1-CB 4.01Å; Y632-F869 HydrophobicContact CE1-CD1 4.02Å; Y632-F869 HydrophobicContact CE1-CG 4.12Å; Y632-F869 HydrophobicContact CE2-CB 4.4Å; Y632-P870 PolarHBondContact OH-O 3.25Å; Y632-L871 HydrophobicContact CE2-CD2 4.28Å
633	S	93.2	Very high	87	Confident	10 Å²	10	33.3 Å²	33.3	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.9	174.6	174.3	0	0	0	0	108.3	F618 M649 N650	F618-S633 CarbonylContact O-C 3.55Å; F618-S633 WeakPolarHBondContact O-CA 3.46Å; S633-M649 CarbonylContact O-C 3.59Å; S633-M649 WeakPolarHBondContact O-CA 3.42Å; S633-N650 PolarHBondContact N-O 2.72Å; S633-N650 PolarHBondContact O-N 3.37Å
634	L	92.3	Very high	86.8	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	112.8	175	-177.9	63.7	0	0	0	109.3	A617 F618 I636 N648 M649 F814 M829 L871	A617-L634 WeakPolarHBondContact CA-O 3.45Å; F618-L634 PolarHBondContact N-O 3.32Å; F618-L634 PolarHBondContact O-N 3.22Å; L634-I636 HydrophobicContact CD1-CD1 4.15Å; L634-I636 HydrophobicContact CD1-CG1 4.09Å; L634-I636 HydrophobicContact CD2-CD1 3.91Å; L634-I636 HydrophobicContact CG-CD1 3.91Å; L634-I636 HydrophobicContact CG-CG1 4.03Å; L634-N648 WeakPolarHBondContact CA-O 3.39Å; L634-M649 HydrophobicContact CD1-CB 4.21Å; L634-F814 HydrophobicContact CD1-CZ 4.45Å; L634-F814 HydrophobicContact CD2-CE2 3.91Å; L634-F814 HydrophobicContact CD2-CZ 4.03Å; L634-M829 HydrophobicContact CD2-SD 4.33Å; L634-L871 HydrophobicContact CB-CD2 4.4Å; L634-L871 HydrophobicContact CD2-CD1 3.79Å; L634-L871 HydrophobicContact CD2-CD2 3.67Å; L634-L871 HydrophobicContact CD2-CG 4.35Å
635	D	91.7	Very high	86.8	Confident	7 Å²	7	24.5 Å²	24.5	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.9	176.8	-61.6	-56.1	0	0	0	109.6	Y575 K579 A617 S647 N648	Y575-D635 HydrophobicContact CE2-CB 4.1Å; K579-D635 IonicContact NZ-OD1 3.2Å; K579-D635 PolarHBondContact NZ-OD1 3.42Å; K579-D635 IonicContact NZ-OD2 2.72Å; K579-D635 PolarHBondContact NZ-OD2 3.44Å; A617-D635 WeakPolarHBondContact CB-OD1 3.29Å; D635-S647 CarbonylContact O-C 3.57Å; D635-S647 WeakPolarHBondContact O-CA 3.27Å; D635-N648 HydrophobicContact CB-CB 4.32Å; D635-N648 PolarHBondContact N-O 3.24Å; D635-N648 PolarHBondContact O-N 3Å
636	I	91.1	Very high	87.1	Confident	3 Å²	3	20.8 Å²	20.8	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.7	-176.3	-59.7	173.6	0	0	0	110.1	Y575 S615 S616 L634 Y638 L644 R646 M829	Y575-I636 WeakPolarHBondContact CD2-O 3.04Å; S615-I636 CarbonylContact C-O 3.58Å; S615-I636 VanDerWaalsContact CA-O 3.32Å; S615-I636 WeakPolarHBondContact CA-O 3.42Å; S615-I636 WeakPolarHBondContact CB-O 3.22Å; S616-I636 PolarHBondContact N-O 3.38Å; S616-I636 PolarHBondContact O-N 3.32Å; L634-I636 HydrophobicContact CD1-CD1 4.15Å; L634-I636 HydrophobicContact CD1-CG1 4.09Å; L634-I636 HydrophobicContact CD2-CD1 3.91Å; L634-I636 HydrophobicContact CG-CD1 3.91Å; L634-I636 HydrophobicContact CG-CG1 4.03Å; I636-Y638 HydrophobicContact CB-CE2 4.45Å; I636-Y638 HydrophobicContact CG2-CD2 3.89Å; I636-Y638 HydrophobicContact CG2-CE1 4.48Å; I636-Y638 HydrophobicContact CG2-CE2 3.36Å; I636-L644 HydrophobicContact CG2-CD1 3.53Å; I636-R646 WeakPolarHBondContact CA-O 3.44Å; I636-M829 HydrophobicContact CD1-CE 3.62Å; I636-M829 HydrophobicContact CD1-SD 3.13Å; I636-M829 WeakPolarHBondContact CD1-SD 3.4Å
637	L	91	Very high	87.4	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.2	173.7	179.7	66.5	0	0	0	109.1	K538 A542 Y575 R645 R646	K538-L637 HydrophobicContact CB-CD2 4.23Å; A542-L637 HydrophobicContact CB-CD2 4.15Å; Y575-L637 HydrophobicContact CD2-CB 4.2Å; Y575-L637 HydrophobicContact CD2-CD1 4.32Å; Y575-L637 HydrophobicContact CE2-CB 4.45Å; Y575-L637 HydrophobicContact CG-CD1 4.08Å; L637-R645 HydrophobicContact CG-CB 4.44Å; L637-R645 WeakPolarHBondContact O-CA 3.43Å; L637-R645 WeakPolarHBondContact O-CB 3.42Å; L637-R645 PolarHBondContact O-N 2.9Å; L637-R646 HydrophobicContact CB-CB 4.28Å; L637-R646 PolarHBondContact N-O 3.42Å; L637-R646 PolarHBondContact O-N 3.16Å
638	Y	89.2	Confident	87.6	Confident	16 Å²	16	14.9 Å²	14.9	6%	0.063	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	157.2	171.4	-68.2	-85.7	0	0	0	111.2	E571 S614 S615 I636 G642 V643 L644	E571-Y638 WeakPolarHBondContact CB-O 3.35Å; E571-Y638 WeakPolarHBondContact CG-O 3.43Å; S614-Y638 WeakPolarHBondContact O-CE2 3.45Å; S615-Y638 PolarHBondContact OG-N 3.28Å; S615-Y638 VanDerWaalsContact OG-N 3.08Å; I636-Y638 HydrophobicContact CB-CE2 4.45Å; I636-Y638 HydrophobicContact CG2-CD2 3.89Å; I636-Y638 HydrophobicContact CG2-CE1 4.48Å; I636-Y638 HydrophobicContact CG2-CE2 3.36Å; Y638-G642 VanDerWaalsContact CD1-O 3.32Å; Y638-G642 WeakPolarHBondContact CD1-O 3.35Å; Y638-V643 CarbonylContact C-O 3.47Å; Y638-V643 VanDerWaalsContact CA-O 3.3Å; Y638-V643 WeakPolarHBondContact CA-O 3.09Å; Y638-V643 WeakPolarHBondContact CD1-O 3.41Å; Y638-L644 HydrophobicContact CE1-CB 4.42Å; Y638-L644 HydrophobicContact CE1-CD1 4.48Å
639	S	85.9	Confident	87.7	Confident	1 Å²	1	15 Å²	15	1%	0.007	9%	0.092	C	C	.	.			trans	-79.8	166.3	161.9	62.3	0	0	0	0	110.4	E571 S641 G642 V643 E673 D681	E571-S639 WeakPolarHBondContact CG-O 3.43Å; S639-S641 PolarHBondContact O-N 3.27Å; S639-S641 PolarHBondContact OG-OG 3.05Å; S639-G642 PolarHBondContact O-N 3.37Å; S639-V643 PolarHBondContact N-O 2.95Å; S639-V643 WeakPolarHBondContact OG-CB 3.26Å; S639-V643 PolarHBondContact OG-N 3.49Å; S639-V643 PolarHBondContact OG-O 2.71Å; S639-E673 WeakPolarHBondContact CB-OE1 3.28Å; S639-E673 PolarHBondContact OG-OE1 3.02Å; S639-D681 WeakPolarHBondContact CA-OD2 3.42Å; S639-D681 WeakPolarHBondContact CB-OD2 3.39Å
640	G	80.9	Confident	87.7	Confident	22 Å²	22	13.5 Å²	13.5	23%	0.227	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.1	-179.9	0	0	0	0	0	113.1	G642 D681 Y823	G640-G642 PolarHBondContact O-N 2.91Å; G640-D681 WeakPolarHBondContact CA-OD1 3.48Å; G640-D681 PolarHBondContact N-OD1 3.43Å; G640-D681 PolarHBondContact N-OD2 3.19Å; G640-Y823 PolarHBondContact O-OH 3.02Å
641	S	77.7	Confident	87.7	Confident	15 Å²	15	12.7 Å²	12.7	11%	0.105	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.6	174.3	66.1	0	0	0	0	114	S639 V643 E673	S639-S641 PolarHBondContact O-N 3.27Å; S639-S641 PolarHBondContact OG-OG 3.05Å; S641-V643 WeakPolarHBondContact OG-CG2 3.34Å; S641-V643 PolarHBondContact OG-N 3.38Å; S641-E673 WeakPolarHBondContact OG-CG 3.49Å; S641-E673 PolarHBondContact OG-OE1 3.03Å
642	G	78.4	Confident	87.6	Confident	8 Å²	8	14.1 Å²	14.1	8%	0.082	8%	0.08	C	C	.	.	S	Bend	trans	88.4	4.9	-176	0	0	0	0	0	114	Y638 S639 G640 F825	Y638-G642 VanDerWaalsContact CD1-O 3.32Å; Y638-G642 WeakPolarHBondContact CD1-O 3.35Å; S639-G642 PolarHBondContact O-N 3.37Å; G640-G642 PolarHBondContact O-N 2.91Å; G642-F825 WeakPolarHBondContact O-CD2 3.48Å
643	V	80.1	Confident	87.6	Confident	17 Å²	17	14.7 Å²	14.7	10%	0.103	9%	0.086	C	C	.	.			trans	-78.4	144.5	174.1	175.5	0	0	0	0	110.6	Y638 S639 S641 R645 M672 I676	Y638-V643 CarbonylContact C-O 3.47Å; Y638-V643 VanDerWaalsContact CA-O 3.3Å; Y638-V643 WeakPolarHBondContact CA-O 3.09Å; Y638-V643 WeakPolarHBondContact CD1-O 3.41Å; S639-V643 PolarHBondContact N-O 2.95Å; S639-V643 WeakPolarHBondContact OG-CB 3.26Å; S639-V643 PolarHBondContact OG-N 3.49Å; S639-V643 PolarHBondContact OG-O 2.71Å; S641-V643 WeakPolarHBondContact OG-CG2 3.34Å; S641-V643 PolarHBondContact OG-N 3.38Å; V643-R645 PolarHBondContact O-N 3.03Å; V643-M672 HydrophobicContact CG1-CB 4.04Å; V643-M672 HydrophobicContact CG1-CE 3.2Å; V643-I676 HydrophobicContact CG2-CD1 3.57Å; V643-I676 HydrophobicContact CG2-CG1 4.42Å
644	L	82.8	Confident	87.4	Confident	49 Å²	49	15.9 Å²	15.9	26%	0.257	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	121.6	174.6	178.8	68.1	0	0	0	110.3	I636 Y638 I667 A669	I636-L644 HydrophobicContact CG2-CD1 3.53Å; Y638-L644 HydrophobicContact CE1-CB 4.42Å; Y638-L644 HydrophobicContact CE1-CD1 4.48Å; L644-I667 HydrophobicContact CD2-CG2 4.23Å; L644-A669 WeakPolarHBondContact O-CB 3.34Å
645	R	85.6	Confident	87.2	Confident	6 Å²	6	16 Å²	16	2%	0.023	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-46.8	172.9	-171.8	75.8	-176.6	94.7	-6.5	111.2	E537 N539 L637 V643 E668 A669 E684	E537-R645 IonicContact OE2-NH2 3.2Å; E537-R645 PolarHBondContact OE2-NH2 3.47Å; N539-R645 PolarHBondContact ND2-NH2 2.91Å; L637-R645 HydrophobicContact CG-CB 4.44Å; L637-R645 WeakPolarHBondContact O-CA 3.43Å; L637-R645 WeakPolarHBondContact O-CB 3.42Å; L637-R645 PolarHBondContact O-N 2.9Å; V643-R645 PolarHBondContact O-N 3.03Å; R645-E668 WeakPolarHBondContact O-CA 3.45Å; R645-A669 WeakPolarHBondContact CD-O 3.44Å; R645-A669 PolarHBondContact NH1-O 3.4Å; R645-A669 PolarHBondContact O-N 2.84Å; R645-E684 IonicContact NE-OE1 2.73Å; R645-E684 PolarHBondContact NE-OE1 2.84Å; R645-E684 VanDerWaalsContact NE-OE1 3.09Å
646	R	87.6	Confident	86.5	Confident	4 Å²	4	19.4 Å²	19.4	2%	0.015	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	129.4	-178.1	-173.2	177.3	78	167.7	11.5	110.5	N539 D546 Y575 I636 L637 N648 I667	N539-R646 PolarHBondContact O-NH1 2.94Å; D546-R646 IonicContact OD2-NH2 3.61Å; D546-R646 PolarHBondContact OD2-NH2 3.24Å; Y575-R646 PolarHBondContact OH-NH2 2.83Å; I636-R646 WeakPolarHBondContact CA-O 3.44Å; L637-R646 HydrophobicContact CB-CB 4.28Å; L637-R646 PolarHBondContact N-O 3.42Å; L637-R646 PolarHBondContact O-N 3.16Å; R646-N648 PolarHBondContact NE-ND2 3.21Å; R646-I667 CarbonylContact C-O 3.52Å; R646-I667 WeakPolarHBondContact CA-O 3.28Å
647	S	87.8	Confident	86	Confident	11 Å²	11	23.5 Å²	23.5	8%	0.077	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.8	166.3	179.2	0	0	0	0	108.7	D635 A666 I667	D635-S647 CarbonylContact O-C 3.57Å; D635-S647 WeakPolarHBondContact O-CA 3.27Å; S647-A666 CarbonylContact O-C 3.37Å; S647-A666 VanDerWaalsContact O-CA 3.23Å; S647-A666 WeakPolarHBondContact O-CA 3.44Å; S647-I667 PolarHBondContact N-O 2.76Å; S647-I667 PolarHBondContact O-N 3.44Å
648	N	88.9	Confident	85.7	Confident	13 Å²	13	24.4 Å²	24.4	7%	0.07	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109.4	176.1	-71.3	-26.9	0	0	0	109.1	L634 D635 R646 A666	L634-N648 WeakPolarHBondContact CA-O 3.39Å; D635-N648 HydrophobicContact CB-CB 4.32Å; D635-N648 PolarHBondContact N-O 3.24Å; D635-N648 PolarHBondContact O-N 3Å; R646-N648 PolarHBondContact NE-ND2 3.21Å; N648-A666 WeakPolarHBondContact OD1-CB 3.31Å
649	M	88.1	Confident	85.7	Confident	20 Å²	20	29.2 Å²	29.2	10%	0.099	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.1	168.4	-174	-176	-174.2	0	0	109	S633 L634 I651 Q664 V665 L812 M831	S633-M649 CarbonylContact O-C 3.59Å; S633-M649 WeakPolarHBondContact O-CA 3.42Å; L634-M649 HydrophobicContact CD1-CB 4.21Å; M649-I651 HydrophobicContact CE-CD1 4.15Å; M649-I651 HydrophobicContact CE-CG1 4.35Å; M649-Q664 CarbonylContact O-C 3.58Å; M649-Q664 VanDerWaalsContact O-CA 3.27Å; M649-Q664 WeakPolarHBondContact O-CA 3.32Å; M649-V665 PolarHBondContact N-O 3.48Å; M649-V665 PolarHBondContact O-N 3.5Å; M649-L812 HydrophobicContact CE-CD2 3.94Å; M649-M831 HydrophobicContact CE-CE 4.18Å; M649-M831 HydrophobicContact CE-CG 4.42Å; M649-M831 HydrophobicContact CE-SD 3.7Å
650	N	91.3	Very high	85.9	Confident	11 Å²	11	29.5 Å²	29.5	6%	0.059	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.1	175	-65.5	-58.3	0	0	0	110.5	Y632 S633 Y652 H661 L663 Q664	Y632-N650 CarbonylContact C-O 3.4Å; Y632-N650 VanDerWaalsContact CA-O 3.24Å; Y632-N650 WeakPolarHBondContact CA-O 3.23Å; S633-N650 PolarHBondContact N-O 2.72Å; S633-N650 PolarHBondContact O-N 3.37Å; N650-Y652 HydrophobicContact CB-CD2 4.21Å; N650-Y652 HydrophobicContact CB-CE2 3.44Å; N650-Y652 VanDerWaalsContact CB-CE2 3.44Å; N650-H661 PolarHBondContact OD1-CE1 2.75Å; N650-H661 VanDerWaalsContact OD1-CE1 3.32Å; N650-H661 PolarHBondContact OD1-NE2 3.16Å; N650-L663 CarbonylContact C-O 3.57Å; N650-L663 WeakPolarHBondContact CA-O 3.4Å; N650-Q664 WeakPolarHBondContact OD1-CG 3.44Å
651	I	91.7	Very high	86.4	Confident	25 Å²	25	29.2 Å²	29.2	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.9	168.6	-57	-179.5	0	0	0	108.2	M622 T630 T631 M649 G662 L663 L812	M622-I651 HydrophobicContact CE-CD1 4.47Å; M622-I651 HydrophobicContact SD-CD1 4.07Å; M622-I651 HydrophobicContact SD-CG1 4.3Å; M622-I651 HydrophobicContact SD-CG2 3.83Å; T630-I651 HydrophobicContact CG2-CG2 3.91Å; T631-I651 WeakPolarHBondContact O-CA 3.37Å; M649-I651 HydrophobicContact CE-CD1 4.15Å; M649-I651 HydrophobicContact CE-CG1 4.35Å; I651-G662 PolarHBondContact O-N 3.27Å; I651-L663 HydrophobicContact CB-CB 4.22Å; I651-L663 HydrophobicContact CD1-CB 4.46Å; I651-L663 HydrophobicContact CD1-CD2 3.97Å; I651-L663 HydrophobicContact CG1-CB 4.48Å; I651-L663 PolarHBondContact N-O 2.86Å; I651-L663 PolarHBondContact O-N 3.03Å; I651-L812 HydrophobicContact CD1-CD2 4.13Å
652	Y	92.3	Very high	87	Confident	53 Å²	53	29.2 Å²	29.2	21%	0.208	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	143	178.1	-60.1	-81	0	0	0	111	T630 T631 N650 L659 L660 H661	T630-Y652 VanDerWaalsContact CA-O 3.3Å; T630-Y652 WeakPolarHBondContact CA-O 3.46Å; T630-Y652 WeakPolarHBondContact CG2-O 3.34Å; T631-Y652 PolarHBondContact N-O 3.39Å; T631-Y652 PolarHBondContact O-N 3.49Å; N650-Y652 HydrophobicContact CB-CD2 4.21Å; N650-Y652 HydrophobicContact CB-CE2 3.44Å; N650-Y652 VanDerWaalsContact CB-CE2 3.44Å; Y652-L659 HydrophobicContact CD1-CD1 4.38Å; Y652-L659 HydrophobicContact CD1-CD2 4.29Å; Y652-L659 HydrophobicContact CD1-CG 4.34Å; Y652-L659 HydrophobicContact CG-CD1 4.43Å; Y652-L660 WeakPolarHBondContact CA-O 3.15Å; Y652-H661 HydrophobicContact CD1-CB 4.19Å; Y652-H661 AromaticContact CD1-CD2 3.99Å; Y652-H661 HydrophobicContact CE1-CB 4.02Å; Y652-H661 AromaticContact CE1-CD2 3.56Å; Y652-H661 AromaticContact CE1-CE1 3.9Å; Y652-H661 AromaticContact CE1-CG 3.53Å; Y652-H661 AromaticContact CE1-ND1 3.76Å; Y652-H661 AromaticContact CE1-NE2 3.78Å; Y652-H661 AromaticContact CZ-NE2 3.87Å
653	G	91.7	Very high	87.5	Confident	15 Å²	15	29.6 Å²	29.6	16%	0.155	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	169.8	0	0	0	0	0	110.2	L660	G653-L660 PolarHBondContact N-O 2.71Å; G653-L660 PolarHBondContact O-N 3.47Å
654	A	89.5	Confident	87.9	Confident	35 Å²	35	29.8 Å²	29.8	29%	0.289	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.6	176.8	0	0	0	0	0	111	A628 T629 A658 L659	A628-A654 VanDerWaalsContact CA-O 3.3Å; A628-A654 WeakPolarHBondContact CA-O 3.16Å; T629-A654 PolarHBondContact N-O 2.89Å; T629-A654 PolarHBondContact O-N 3.34Å; A654-A658 VanDerWaalsContact CA-O 3.26Å; A654-A658 WeakPolarHBondContact CA-O 3.41Å; A654-L659 HydrophobicContact CB-CD1 4.13Å
655	S	87.7	Confident	88.1	Confident	5 Å²	5	28.4 Å²	28.4	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	137.2	173.5	-175.6	0	0	0	0	110	N242 D627 G657 A658	N242-S655 PolarHBondContact O-OG 3.39Å; N242-S655 VanDerWaalsContact O-OG 3.11Å; D627-S655 WeakPolarHBondContact O-CB 3.42Å; D627-S655 PolarHBondContact O-OG 3.03Å; S655-G657 PolarHBondContact O-N 3.18Å; S655-G657 VanDerWaalsContact O-N 3.15Å; S655-A658 PolarHBondContact N-O 3.32Å; S655-A658 WeakPolarHBondContact O-CB 3.36Å; S655-A658 PolarHBondContact O-N 3.23Å
656	N	78.1	Confident	88.1	Confident	78 Å²	78	28.3 Å²	28.3	42%	0.417	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	33.2	179.5	-61.3	-19.6	0	0	0	115.2	R245 A658	R245-N656 PolarHBondContact NH2-OD1 2.9Å; N656-A658 PolarHBondContact O-N 2.68Å
657	G	78.9	Confident	87.9	Confident	89 Å²	89	30.3 Å²	30.3	92%	0.918	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-5.2	-177.6	0	0	0	0	0	114.9	S655	S655-G657 PolarHBondContact O-N 3.18Å; S655-G657 VanDerWaalsContact O-N 3.15Å
658	A	85.6	Confident	87.8	Confident	19 Å²	19	32.4 Å²	32.4	16%	0.157	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.5	169.9	0	0	0	0	0	110.8	Q207 V208 A654 S655 N656	Q207-A658 HydrophobicContact CB-CB 3.72Å; V208-A658 HydrophobicContact CG2-CB 3.82Å; V208-A658 WeakPolarHBondContact CG2-O 3.43Å; A654-A658 VanDerWaalsContact CA-O 3.26Å; A654-A658 WeakPolarHBondContact CA-O 3.41Å; S655-A658 PolarHBondContact N-O 3.32Å; S655-A658 WeakPolarHBondContact O-CB 3.36Å; S655-A658 PolarHBondContact O-N 3.23Å; N656-A658 PolarHBondContact O-N 2.68Å
659	L	88.5	Confident	87.5	Confident	117 Å²	117	32 Å²	32	61%	0.613	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112	137.2	174.8	-172.8	70.4	0	0	0	108.9	Y652 A654	Y652-L659 HydrophobicContact CD1-CD1 4.38Å; Y652-L659 HydrophobicContact CD1-CD2 4.29Å; Y652-L659 HydrophobicContact CD1-CG 4.34Å; Y652-L659 HydrophobicContact CG-CD1 4.43Å; A654-L659 HydrophobicContact CB-CD1 4.13Å
660	L	90.8	Very high	87.2	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.4	174.3	170.1	62.9	0	0	0	108.5	I206 V208 L209 Y652 G653 G662 F698 D699	I206-L660 HydrophobicContact CD1-CD1 4.3Å; I206-L660 HydrophobicContact CG2-CD1 3.85Å; I206-L660 HydrophobicContact CG2-CD2 4.22Å; I206-L660 HydrophobicContact CG2-CG 4.44Å; V208-L660 HydrophobicContact CB-CB 3.99Å; V208-L660 HydrophobicContact CB-CD2 4.22Å; V208-L660 HydrophobicContact CG1-CB 4.24Å; V208-L660 HydrophobicContact CG1-CD2 4.14Å; V208-L660 HydrophobicContact CG2-CB 3.89Å; L209-L660 HydrophobicContact CD1-CD2 3.92Å; L209-L660 HydrophobicContact CD2-CD2 3.96Å; L209-L660 HydrophobicContact CG-CD2 3.72Å; Y652-L660 WeakPolarHBondContact CA-O 3.15Å; G653-L660 PolarHBondContact N-O 2.71Å; G653-L660 PolarHBondContact O-N 3.47Å; L660-G662 PolarHBondContact O-N 2.85Å; L660-F698 HydrophobicContact CD2-CD1 4.25Å; L660-D699 WeakPolarHBondContact CD1-OD2 3.48Å
661	H	91.6	Very high	86.5	Confident	17 Å²	17	32.9 Å²	32.9	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	93	168.6	-159.8	164.6	0	0	0	108.4	N650 Y652 Q664 L696 F698 D699	N650-H661 PolarHBondContact OD1-CE1 2.75Å; N650-H661 VanDerWaalsContact OD1-CE1 3.32Å; N650-H661 PolarHBondContact OD1-NE2 3.16Å; Y652-H661 HydrophobicContact CD1-CB 4.19Å; Y652-H661 AromaticContact CD1-CD2 3.99Å; Y652-H661 HydrophobicContact CE1-CB 4.02Å; Y652-H661 AromaticContact CE1-CD2 3.56Å; Y652-H661 AromaticContact CE1-CE1 3.9Å; Y652-H661 AromaticContact CE1-CG 3.53Å; Y652-H661 AromaticContact CE1-ND1 3.76Å; Y652-H661 AromaticContact CE1-NE2 3.78Å; Y652-H661 AromaticContact CZ-NE2 3.87Å; H661-Q664 PolarHBondContact CE1-OE1 2.85Å; H661-L696 HydrophobicContact CB-CD2 3.84Å; H661-F698 CarbonylContact O-C 3.53Å; H661-F698 VanDerWaalsContact O-CA 3.3Å; H661-F698 WeakPolarHBondContact O-CA 3.43Å; H661-F698 PolarHBondContact O-N 3.1Å; H661-D699 WeakPolarHBondContact CB-OD1 3.49Å; H661-D699 PolarHBondContact N-OD1 3.03Å; H661-D699 PolarHBondContact O-N 3.04Å
662	G	89.6	Confident	85.8	Confident	14 Å²	14	33.5 Å²	33.5	14%	0.144	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	-49.4	-172.4	0	0	0	0	0	112.5	I651 L660 F698	I651-G662 PolarHBondContact O-N 3.27Å; L660-G662 PolarHBondContact O-N 2.85Å; G662-F698 PolarHBondContact O-N 3.15Å
663	L	88.8	Confident	85.1	Confident	16 Å²	16	31.2 Å²	31.2	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	134.3	179.5	174.5	67.1	0	0	0	109.8	N650 I651 V665 L696 L697	N650-L663 CarbonylContact C-O 3.57Å; N650-L663 WeakPolarHBondContact CA-O 3.4Å; I651-L663 HydrophobicContact CB-CB 4.22Å; I651-L663 HydrophobicContact CD1-CB 4.46Å; I651-L663 HydrophobicContact CD1-CD2 3.97Å; I651-L663 HydrophobicContact CG1-CB 4.48Å; I651-L663 PolarHBondContact N-O 2.86Å; I651-L663 PolarHBondContact O-N 3.03Å; L663-V665 HydrophobicContact CD1-CG2 3.75Å; L663-V665 HydrophobicContact CD2-CG2 4.26Å; L663-V665 HydrophobicContact CG-CG2 4.05Å; L663-L696 CarbonylContact C-O 3.59Å; L663-L696 WeakPolarHBondContact CA-O 3.49Å; L663-L697 HydrophobicContact CB-CD2 4.47Å; L663-L697 HydrophobicContact CD1-CD2 3.29Å; L663-L697 HydrophobicContact CG-CD2 4.46Å
664	Q	89.4	Confident	84.1	Confident	22 Å²	22	34 Å²	34	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.4	158.9	-174.8	168.2	-19.1	0	0	108.1	M649 N650 H661 A695 L696	M649-Q664 CarbonylContact O-C 3.58Å; M649-Q664 VanDerWaalsContact O-CA 3.27Å; M649-Q664 WeakPolarHBondContact O-CA 3.32Å; N650-Q664 WeakPolarHBondContact OD1-CG 3.44Å; H661-Q664 PolarHBondContact CE1-OE1 2.85Å; Q664-A695 VanDerWaalsContact O-CA 3.27Å; Q664-A695 WeakPolarHBondContact O-CA 3.32Å; Q664-L696 HydrophobicContact CB-CB 3.78Å; Q664-L696 PolarHBondContact N-O 3.01Å; Q664-L696 PolarHBondContact O-N 2.96Å
665	V	86	Confident	83.2	Confident	20 Å²	20	35.3 Å²	35.3	12%	0.121	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.1	164.4	-175.8	0	0	0	0	106.9	M649 L663 I667 M693	M649-V665 PolarHBondContact N-O 3.48Å; M649-V665 PolarHBondContact O-N 3.5Å; L663-V665 HydrophobicContact CD1-CG2 3.75Å; L663-V665 HydrophobicContact CD2-CG2 4.26Å; L663-V665 HydrophobicContact CG-CG2 4.05Å; V665-I667 HydrophobicContact CG1-CG1 4.37Å; V665-M693 HydrophobicContact CG1-CG 3.99Å; V665-M693 HydrophobicContact CG1-SD 3.84Å
666	A	86.4	Confident	82.4	Confident	4 Å²	4	38 Å²	38	3%	0.033	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.9	174.4	0	0	0	0	0	108.8	S647 N648 M693 S694	S647-A666 CarbonylContact O-C 3.37Å; S647-A666 VanDerWaalsContact O-CA 3.23Å; S647-A666 WeakPolarHBondContact O-CA 3.44Å; N648-A666 WeakPolarHBondContact OD1-CB 3.31Å; A666-M693 CarbonylContact O-C 3.58Å; A666-M693 VanDerWaalsContact O-CA 3.28Å; A666-M693 WeakPolarHBondContact O-CA 3.47Å; A666-S694 PolarHBondContact N-O 3.42Å; A666-S694 PolarHBondContact O-N 3.42Å
667	I	83.9	Confident	82	Confident	46 Å²	46	39 Å²	39	24%	0.236	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.4	172.9	-59.3	174.2	0	0	0	107.4	L644 R646 S647 V665 M693	L644-I667 HydrophobicContact CD2-CG2 4.23Å; R646-I667 CarbonylContact C-O 3.52Å; R646-I667 WeakPolarHBondContact CA-O 3.28Å; S647-I667 PolarHBondContact N-O 2.76Å; S647-I667 PolarHBondContact O-N 3.44Å; V665-I667 HydrophobicContact CG1-CG1 4.37Å; I667-M693 HydrophobicContact CG1-CG 4.35Å
668	E	84.4	Confident	81.8	Confident	54 Å²	54	36.3 Å²	36.3	25%	0.252	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.3	177.5	-64.2	-175.3	170.2	0	0	109.2	R645 A691 G692	R645-E668 WeakPolarHBondContact O-CA 3.45Å; E668-A691 CarbonylContact O-C 3.53Å; E668-A691 VanDerWaalsContact O-CA 3.29Å; E668-A691 WeakPolarHBondContact O-CA 3.38Å; E668-G692 PolarHBondContact N-O 2.95Å; E668-G692 PolarHBondContact O-N 3.37Å
669	A	82.9	Confident	81.4	Confident	5 Å²	5	44.2 Å²	44.2	4%	0.041	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.9	172.3	0	0	0	0	0	111.7	L644 R645 M672 F690 A691	L644-A669 WeakPolarHBondContact O-CB 3.34Å; R645-A669 WeakPolarHBondContact CD-O 3.44Å; R645-A669 PolarHBondContact NH1-O 3.4Å; R645-A669 PolarHBondContact O-N 2.84Å; A669-M672 HydrophobicContact CB-CE 3.49Å; A669-M672 VanDerWaalsContact CB-CE 3.49Å; A669-M672 HydrophobicContact CB-SD 4.01Å; A669-F690 CarbonylContact C-O 3.59Å; A669-F690 WeakPolarHBondContact CA-O 3.29Å; A669-A691 HydrophobicContact CB-CB 4.19Å
670	Q	81.8	Confident	81	Confident	39 Å²	39	41.2 Å²	41.2	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.4	179.2	48.3	-167.1	42.7	0	0	111.4	M672 L687 S689 F690	Q670-M672 PolarHBondContact O-N 2.98Å; Q670-L687 HydrophobicContact CB-CB 4.43Å; Q670-L687 HydrophobicContact CB-CD1 4.06Å; Q670-S689 CarbonylContact O-C 3.58Å; Q670-S689 WeakPolarHBondContact O-CA 3.49Å; Q670-F690 HydrophobicContact CG-CB 3.71Å; Q670-F690 HydrophobicContact CG-CD1 4.05Å; Q670-F690 HydrophobicContact CG-CG 4.36Å; Q670-F690 PolarHBondContact N-O 3.39Å; Q670-F690 PolarHBondContact O-N 2.79Å
671	G	77.6	Confident	80.4	Confident	10 Å²	10	42.3 Å²	42.3	10%	0.103	25%	0.245	C	C	.	.	S	Bend	trans	62.9	26.5	172.2	0	0	0	0	0	112.6	E673 S689	G671-E673 WeakPolarHBondContact CA-OE2 3.38Å; G671-E673 PolarHBondContact N-OE2 2.81Å; G671-S689 WeakPolarHBondContact O-CA 3.17Å; G671-S689 WeakPolarHBondContact O-CB 3.4Å; G671-S689 PolarHBondContact O-OG 2.75Å
672	M	76	Confident	79.4	Confident	39 Å²	39	49.7 Å²	49.7	19%	0.192	28%	0.28	C	S	.	.			trans	-97.8	-4.5	178.6	-64.4	-165	-49.2	0	0	111.6	V643 A669 Q670 S674 L675 F708	V643-M672 HydrophobicContact CG1-CB 4.04Å; V643-M672 HydrophobicContact CG1-CE 3.2Å; A669-M672 HydrophobicContact CB-CE 3.49Å; A669-M672 VanDerWaalsContact CB-CE 3.49Å; A669-M672 HydrophobicContact CB-SD 4.01Å; Q670-M672 PolarHBondContact O-N 2.98Å; M672-S674 PolarHBondContact O-N 2.8Å; M672-L675 HydrophobicContact CB-CD1 3.93Å; M672-L675 HydrophobicContact CG-CD1 4.16Å; M672-L675 VanDerWaalsContact O-CB 3.3Å; M672-L675 WeakPolarHBondContact O-CB 3.22Å; M672-L675 PolarHBondContact O-N 2.85Å; M672-F708 HydrophobicContact CG-CZ 4.49Å; M672-F708 HydrophobicContact SD-CZ 3.9Å
673	E	78.7	Confident	78.5	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.019	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.8	177.3	-74.5	71	-158.7	0	0	112	S639 S641 G671 L675 I676 A677 A678 P680	S639-E673 WeakPolarHBondContact CB-OE1 3.28Å; S639-E673 PolarHBondContact OG-OE1 3.02Å; S641-E673 WeakPolarHBondContact OG-CG 3.49Å; S641-E673 PolarHBondContact OG-OE1 3.03Å; G671-E673 WeakPolarHBondContact CA-OE2 3.38Å; G671-E673 PolarHBondContact N-OE2 2.81Å; E673-L675 PolarHBondContact O-N 2.86Å; E673-I676 WeakPolarHBondContact O-CG1 3.38Å; E673-I676 PolarHBondContact O-N 3.06Å; E673-A677 PolarHBondContact O-N 2.8Å; E673-A678 CarbonylContact C-O 3.25Å; E673-A678 HydrophobicContact CB-CB 4.23Å; E673-A678 PolarHBondContact O-N 3.17Å; E673-P680 HydrophobicContact CB-CG 4.41Å
674	S	70.8	Confident	77.8	Confident	74 Å²	74	51.1 Å²	51.1	52%	0.517	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-62.3	-28.6	177.1	57.7	0	0	0	0	113.4	M672 I676 A677	M672-S674 PolarHBondContact O-N 2.8Å; S674-I676 VanDerWaalsContact C-N 3.29Å; S674-I676 PolarHBondContact O-N 2.93Å; S674-A677 PolarHBondContact O-N 3.49Å
675	L	70	Confident	77.1	Confident	63 Å²	63	57 Å²	57	33%	0.33	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-69.4	-28.5	179.7	-62.1	164.8	0	0	0	112.7	M672 E673 Y711 L714	M672-L675 HydrophobicContact CB-CD1 3.93Å; M672-L675 HydrophobicContact CG-CD1 4.16Å; M672-L675 VanDerWaalsContact O-CB 3.3Å; M672-L675 WeakPolarHBondContact O-CB 3.22Å; M672-L675 PolarHBondContact O-N 2.85Å; E673-L675 PolarHBondContact O-N 2.86Å; L675-Y711 HydrophobicContact CD2-CD2 4.23Å; L675-Y711 HydrophobicContact CD2-CE2 3.51Å; L675-Y711 HydrophobicContact CG-CE2 4.5Å; L675-L714 HydrophobicContact CD1-CD2 3.51Å; L675-L714 HydrophobicContact CD2-CD2 3.71Å; L675-L714 HydrophobicContact CG-CD2 4.15Å
676	I	70.3	Confident	76.6	Confident	60 Å²	60	64 Å²	64	31%	0.308	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-108.8	14.1	-178.9	58.5	165.1	0	0	0	112.1	V643 E673 S674 A678 F825	V643-I676 HydrophobicContact CG2-CD1 3.57Å; V643-I676 HydrophobicContact CG2-CG1 4.42Å; E673-I676 WeakPolarHBondContact O-CG1 3.38Å; E673-I676 PolarHBondContact O-N 3.06Å; S674-I676 VanDerWaalsContact C-N 3.29Å; S674-I676 PolarHBondContact O-N 2.93Å; I676-A678 HydrophobicContact CD1-CB 3.9Å; I676-A678 HydrophobicContact CG1-CB 3.84Å; I676-A678 PolarHBondContact O-N 3.26Å; I676-F825 HydrophobicContact CD1-CE2 4.18Å; I676-F825 HydrophobicContact CD1-CZ 3.96Å
677	A	70.2	Confident	76.3	Confident	100 Å²	100	66 Å²	66	83%	0.826	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	32.4	-175.9	0	0	0	0	0	114	E673 S674	E673-A677 PolarHBondContact O-N 2.8Å; S674-A677 PolarHBondContact O-N 3.49Å
678	A	75.1	Confident	76.2	Confident	32 Å²	32	68.7 Å²	68.7	26%	0.264	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-94.2	160.3	173.2	0	0	0	0	0	111.2	E673 I676	E673-A678 CarbonylContact C-O 3.25Å; E673-A678 HydrophobicContact CB-CB 4.23Å; E673-A678 PolarHBondContact O-N 3.17Å; I676-A678 HydrophobicContact CD1-CB 3.9Å; I676-A678 HydrophobicContact CG1-CB 3.84Å; I676-A678 PolarHBondContact O-N 3.26Å
679	K	77.3	Confident	76.1	Confident	186 Å²	186	66.6 Å²	66.6	81%	0.809	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-89.7	138.5	173	-68.4	-172.3	177.8	-174.8	0	110.5
680	P	79.2	Confident	76.1	Confident	54 Å²	54	68.3 Å²	68.3	35%	0.351	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-58	156.8	168.7	-22.7	33.7	0	0	0	112.5	E673 E684	E673-P680 HydrophobicContact CB-CG 4.41Å; P680-E684 HydrophobicContact CB-CB 4.45Å
681	D	77.7	Confident	76.1	Confident	29 Å²	29	66.9 Å²	66.9	16%	0.155	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-77.5	161.4	173	-70.1	-58.4	0	0	0	111.9	K538 S639 G640 G683 E684	K538-D681 IonicContact NZ-OD1 2.94Å; K538-D681 PolarHBondContact NZ-OD1 2.91Å; K538-D681 IonicContact NZ-OD2 3.69Å; K538-D681 PolarHBondContact NZ-OD2 3.26Å; S639-D681 WeakPolarHBondContact CA-OD2 3.42Å; S639-D681 WeakPolarHBondContact CB-OD2 3.39Å; G640-D681 WeakPolarHBondContact CA-OD1 3.48Å; G640-D681 PolarHBondContact N-OD1 3.43Å; G640-D681 PolarHBondContact N-OD2 3.19Å; D681-G683 PolarHBondContact O-N 3.41Å; D681-E684 WeakPolarHBondContact O-CA 3.42Å; D681-E684 WeakPolarHBondContact O-CB 3.38Å; D681-E684 PolarHBondContact O-N 2.9Å
682	E	71.6	Confident	76.4	Confident	172 Å²	172	66.6 Å²	66.6	80%	0.804	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	126.5	175.8	-171.3	-177.9	-179.5	0	0	111.4
683	G	71	Confident	76.7	Confident	55 Å²	55	65.7 Å²	65.7	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	1.4	-174.3	0	0	0	0	0	114.8	D681	D681-G683 PolarHBondContact O-N 3.41Å
684	E	74.6	Confident	77.1	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.028	37%	0.374	C	S	.	.			trans	-119.1	7.9	179.8	-61.1	-169.1	164.7	0	0	113	R645 P680 D681 D686 L687	R645-E684 IonicContact NE-OE1 2.73Å; R645-E684 PolarHBondContact NE-OE1 2.84Å; R645-E684 VanDerWaalsContact NE-OE1 3.09Å; P680-E684 HydrophobicContact CB-CB 4.45Å; D681-E684 WeakPolarHBondContact O-CA 3.42Å; D681-E684 WeakPolarHBondContact O-CB 3.38Å; D681-E684 PolarHBondContact O-N 2.9Å; E684-D686 PolarHBondContact O-N 2.9Å; E684-L687 HydrophobicContact CB-CD1 3.69Å; E684-L687 HydrophobicContact CB-CG 4.31Å; E684-L687 HydrophobicContact CG-CD1 3.75Å; E684-L687 WeakPolarHBondContact O-CB 3.48Å; E684-L687 PolarHBondContact O-N 2.82Å
685	E	73.3	Confident	77.8	Confident	144 Å²	144	63.4 Å²	63.4	67%	0.673	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.7	-173.4	-62.8	-177.7	-176.4	0	0	113.6
686	D	76.8	Confident	78.8	Confident	168 Å²	168	60.4 Å²	60.4	90%	0.898	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	8.5	-179.1	-63.8	-43.1	0	0	0	113.3	E684 E688	E684-D686 PolarHBondContact O-N 2.9Å; D686-E688 PolarHBondContact O-N 2.92Å
687	L	78.9	Confident	79.8	Confident	45 Å²	45	57.7 Å²	57.7	24%	0.236	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-76.2	121	-177.9	-68.9	-178.7	0	0	0	111.6	Q670 E684	Q670-L687 HydrophobicContact CB-CB 4.43Å; Q670-L687 HydrophobicContact CB-CD1 4.06Å; E684-L687 HydrophobicContact CB-CD1 3.69Å; E684-L687 HydrophobicContact CB-CG 4.31Å; E684-L687 HydrophobicContact CG-CD1 3.75Å; E684-L687 WeakPolarHBondContact O-CB 3.48Å; E684-L687 PolarHBondContact O-N 2.82Å
688	E	82.3	Confident	80.8	Confident	103 Å²	103	54.3 Å²	54.3	48%	0.481	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-65.2	142.4	170.1	-174.5	179	-152.3	0	0	111.2	D686 F690 K709 G710	D686-E688 PolarHBondContact O-N 2.92Å; E688-F690 PolarHBondContact O-N 2.83Å; E688-F690 VanDerWaalsContact O-N 3.16Å; E688-K709 WeakPolarHBondContact OE2-CE 3.34Å; E688-G710 WeakPolarHBondContact OE1-CA 3.16Å
689	S	81.3	Confident	81.5	Confident	10 Å²	10	54.7 Å²	54.7	7%	0.07	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-54.7	117.9	174.6	-50.8	0	0	0	0	111.1	Q670 G671 G710	Q670-S689 CarbonylContact O-C 3.58Å; Q670-S689 WeakPolarHBondContact O-CA 3.49Å; G671-S689 WeakPolarHBondContact O-CA 3.17Å; G671-S689 WeakPolarHBondContact O-CB 3.4Å; G671-S689 PolarHBondContact O-OG 2.75Å; S689-G710 PolarHBondContact O-N 3.02Å
690	F	84.2	Confident	82.3	Confident	42 Å²	42	46 Å²	46	18%	0.184	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141.2	-177.6	165	-92	0	0	0	110	A669 Q670 E688 T706 K709	A669-F690 CarbonylContact C-O 3.59Å; A669-F690 WeakPolarHBondContact CA-O 3.29Å; Q670-F690 HydrophobicContact CG-CB 3.71Å; Q670-F690 HydrophobicContact CG-CD1 4.05Å; Q670-F690 HydrophobicContact CG-CG 4.36Å; Q670-F690 PolarHBondContact N-O 3.39Å; Q670-F690 PolarHBondContact O-N 2.79Å; E688-F690 PolarHBondContact O-N 2.83Å; E688-F690 VanDerWaalsContact O-N 3.16Å; F690-T706 HydrophobicContact CD2-CG2 3.98Å; F690-T706 HydrophobicContact CE2-CG2 3.61Å; F690-K709 HydrophobicContact CD2-CB 4.25Å; F690-K709 HydrophobicContact CD2-CG 4.31Å
691	A	82.4	Confident	83	Confident	8 Å²	8	43.5 Å²	43.5	7%	0.066	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.8	163	0	0	0	0	0	110.1	E668 A669 F707 F708	E668-A691 CarbonylContact O-C 3.53Å; E668-A691 VanDerWaalsContact O-CA 3.29Å; E668-A691 WeakPolarHBondContact O-CA 3.38Å; A669-A691 HydrophobicContact CB-CB 4.19Å; A691-F707 HydrophobicContact CB-CB 4.39Å; A691-F707 HydrophobicContact CB-CD2 4.35Å; A691-F707 PolarHBondContact O-N 3.22Å; A691-F708 HydrophobicContact CB-CD1 4.04Å; A691-F708 HydrophobicContact CB-CE1 3.37Å; A691-F708 HydrophobicContact CB-CE2 4.11Å; A691-F708 HydrophobicContact CB-CZ 3.41Å; A691-F708 VanDerWaalsContact CB-CZ 3.41Å; A691-F708 PolarHBondContact N-O 2.91Å; A691-F708 PolarHBondContact O-N 3.24Å
692	G	82.3	Confident	83.6	Confident	5 Å²	5	42.4 Å²	42.4	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164.4	179.7	0	0	0	0	0	112.3	E668 V705	E668-G692 PolarHBondContact N-O 2.95Å; E668-G692 PolarHBondContact O-N 3.37Å; G692-V705 CarbonylContact C-O 3.54Å; G692-V705 VanDerWaalsContact CA-O 3.28Å; G692-V705 WeakPolarHBondContact CA-O 3.43Å
693	M	83.4	Confident	84.6	Confident	19 Å²	19	35.6 Å²	35.6	9%	0.094	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	176.2	-168.9	-169.7	75.7	0	0	109.9	V665 A666 I667 A695 P704 V705 F707 V728	V665-M693 HydrophobicContact CG1-CG 3.99Å; V665-M693 HydrophobicContact CG1-SD 3.84Å; A666-M693 CarbonylContact O-C 3.58Å; A666-M693 VanDerWaalsContact O-CA 3.28Å; A666-M693 WeakPolarHBondContact O-CA 3.47Å; I667-M693 HydrophobicContact CG1-CG 4.35Å; M693-A695 HydrophobicContact CE-CB 4.43Å; M693-P704 CarbonylContact O-C 3.58Å; M693-P704 WeakPolarHBondContact O-CA 3.41Å; M693-V705 PolarHBondContact N-O 3.08Å; M693-V705 PolarHBondContact O-N 3.23Å; M693-F707 HydrophobicContact CB-CE1 4.46Å; M693-F707 HydrophobicContact CB-CE2 3.93Å; M693-F707 HydrophobicContact CB-CZ 3.71Å; M693-F707 HydrophobicContact CG-CZ 4.49Å; M693-F707 HydrophobicContact SD-CZ 4.33Å; M693-V728 HydrophobicContact CE-CB 4.42Å; M693-V728 HydrophobicContact CE-CG1 3.21Å; M693-V728 HydrophobicContact SD-CG1 4.12Å
694	S	85.7	Confident	85.4	Confident	21 Å²	21	35.2 Å²	35.2	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.8	171	178.7	0	0	0	0	109	A666 Q701	A666-S694 PolarHBondContact N-O 3.42Å; A666-S694 PolarHBondContact O-N 3.42Å; S694-Q701 PolarHBondContact OG-NE2 2.79Å
695	A	87	Confident	85.9	Confident	9 Å²	9	37.5 Å²	37.5	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140	-178.6	0	0	0	0	0	111.2	Q664 M693 Q701 L702	Q664-A695 VanDerWaalsContact O-CA 3.27Å; Q664-A695 WeakPolarHBondContact O-CA 3.32Å; M693-A695 HydrophobicContact CE-CB 4.43Å; A695-Q701 PolarHBondContact O-NE2 2.82Å; A695-Q701 VanDerWaalsContact O-NE2 3.14Å; A695-L702 HydrophobicContact CB-CD1 4.3Å; A695-L702 WeakPolarHBondContact O-CB 3.33Å; A695-L702 PolarHBondContact O-N 2.84Å
696	L	90.8	Very high	86.4	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.7	166.3	176.5	162.7	0	0	0	107.6	H661 L663 Q664 V700	H661-L696 HydrophobicContact CB-CD2 3.84Å; L663-L696 CarbonylContact C-O 3.59Å; L663-L696 WeakPolarHBondContact CA-O 3.49Å; Q664-L696 HydrophobicContact CB-CB 3.78Å; Q664-L696 PolarHBondContact N-O 3.01Å; Q664-L696 PolarHBondContact O-N 2.96Å; L696-V700 VanDerWaalsContact CA-O 3.32Å; L696-V700 WeakPolarHBondContact CA-O 3.48Å
697	L	91.1	Very high	86.4	Confident	3 Å²	3	30 Å²	30	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.8	177.7	-70.2	-179.2	0	0	0	108.6	F400 L663 D699 V700 L702 V729 I760	F400-L697 HydrophobicContact CE1-CB 3.82Å; F400-L697 WeakPolarHBondContact CE1-O 3.4Å; F400-L697 HydrophobicContact CZ-CB 3.82Å; F400-L697 HydrophobicContact CZ-CD1 4.14Å; L663-L697 HydrophobicContact CB-CD2 4.47Å; L663-L697 HydrophobicContact CD1-CD2 3.29Å; L663-L697 HydrophobicContact CG-CD2 4.46Å; L697-D699 VanDerWaalsContact C-N 3.34Å; L697-D699 PolarHBondContact O-N 2.93Å; L697-V700 PolarHBondContact N-O 3.27Å; L697-V700 WeakPolarHBondContact O-CA 3.47Å; L697-V700 WeakPolarHBondContact O-CB 3.07Å; L697-V700 PolarHBondContact O-N 3.34Å; L697-L702 HydrophobicContact CD1-CD1 3.93Å; L697-L702 HydrophobicContact CG-CD1 4.25Å; L697-V729 HydrophobicContact CD1-CG1 4.36Å; L697-I760 HydrophobicContact CD2-CD1 4.46Å
698	F	90.3	Very high	86.4	Confident	30 Å²	30	28.9 Å²	28.9	13%	0.132	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	53.9	175.9	-51.8	-71.7	0	0	0	113.3	L209 L660 H661 G662 V700 I733 L735 L758	L209-F698 HydrophobicContact CD1-CD1 4.29Å; L660-F698 HydrophobicContact CD2-CD1 4.25Å; H661-F698 CarbonylContact O-C 3.53Å; H661-F698 VanDerWaalsContact O-CA 3.3Å; H661-F698 WeakPolarHBondContact O-CA 3.43Å; H661-F698 PolarHBondContact O-N 3.1Å; G662-F698 PolarHBondContact O-N 3.15Å; F698-V700 PolarHBondContact O-N 3.02Å; F698-I733 HydrophobicContact CE2-CD1 4.35Å; F698-L735 HydrophobicContact CD1-CD2 3.92Å; F698-L735 HydrophobicContact CD2-CD2 3.54Å; F698-L735 HydrophobicContact CE1-CD1 4.12Å; F698-L735 HydrophobicContact CE1-CD2 3.81Å; F698-L735 HydrophobicContact CE2-CD1 4.49Å; F698-L735 HydrophobicContact CE2-CD2 3.44Å; F698-L735 VanDerWaalsContact CE2-CD2 3.44Å; F698-L735 HydrophobicContact CG-CD2 3.8Å; F698-L735 HydrophobicContact CZ-CD1 3.91Å; F698-L735 HydrophobicContact CZ-CD2 3.58Å; F698-L735 HydrophobicContact CZ-CG 4.41Å; F698-L758 HydrophobicContact CE2-CD2 3.78Å; F698-L758 HydrophobicContact CZ-CD2 3.53Å
699	D	90.9	Very high	86.5	Confident	40 Å²	40	30 Å²	30	21%	0.214	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	3.4	-175.1	-58.5	-39.9	0	0	0	116.8	R511 L660 H661 L697	R511-D699 PolarHBondContact NH2-O 3.14Å; L660-D699 WeakPolarHBondContact CD1-OD2 3.48Å; H661-D699 WeakPolarHBondContact CB-OD1 3.49Å; H661-D699 PolarHBondContact N-OD1 3.03Å; H661-D699 PolarHBondContact O-N 3.04Å; L697-D699 VanDerWaalsContact C-N 3.34Å; L697-D699 PolarHBondContact O-N 2.93Å
700	V	93.6	Very high	86.6	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.2	177.4	-174.3	0	0	0	0	110.1	F400 I432 A435 L696 L697 F698 L702	F400-V700 HydrophobicContact CD1-CB 4.34Å; F400-V700 HydrophobicContact CD1-CG2 4.03Å; F400-V700 HydrophobicContact CE1-CB 3.92Å; F400-V700 HydrophobicContact CE1-CG1 4.49Å; F400-V700 HydrophobicContact CE1-CG2 4.11Å; I432-V700 HydrophobicContact CD1-CG1 4.02Å; A435-V700 HydrophobicContact CB-CG1 4.11Å; A435-V700 HydrophobicContact CB-CG2 4.47Å; L696-V700 VanDerWaalsContact CA-O 3.32Å; L696-V700 WeakPolarHBondContact CA-O 3.48Å; L697-V700 PolarHBondContact N-O 3.27Å; L697-V700 WeakPolarHBondContact O-CA 3.47Å; L697-V700 WeakPolarHBondContact O-CB 3.07Å; L697-V700 PolarHBondContact O-N 3.34Å; F698-V700 PolarHBondContact O-N 3.02Å; V700-L702 HydrophobicContact CG1-CD2 4.29Å; V700-L702 PolarHBondContact O-N 3.37Å
701	Q	93.7	Very high	86.3	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	121.7	168.1	175.9	67.5	67.7	0	0	108.5	I431 L476 K479 N480 S694 A695	I431-Q701 VanDerWaalsContact CG2-O 3.24Å; I431-Q701 WeakPolarHBondContact CG2-O 3.46Å; L476-Q701 HydrophobicContact CD2-CG 3.88Å; K479-Q701 HydrophobicContact CD-CG 4.39Å; N480-Q701 PolarHBondContact ND2-O 3.16Å; N480-Q701 WeakPolarHBondContact OD1-CA 3.12Å; N480-Q701 WeakPolarHBondContact OD1-CB 3.46Å; N480-Q701 PolarHBondContact OD1-N 2.79Å; S694-Q701 PolarHBondContact OG-NE2 2.79Å; A695-Q701 PolarHBondContact O-NE2 2.82Å; A695-Q701 VanDerWaalsContact O-NE2 3.14Å
702	L	91.7	Very high	86.3	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-86.2	167.1	172.8	-53.8	-174.9	0	0	0	110.2	Y396 F400 A695 L697 V700 P704	Y396-L702 HydrophobicContact CD1-CD2 3.76Å; Y396-L702 HydrophobicContact CE1-CB 4.31Å; Y396-L702 HydrophobicContact CE1-CD2 3.85Å; Y396-L702 HydrophobicContact CG-CD2 4.37Å; F400-L702 HydrophobicContact CZ-CD2 3.98Å; A695-L702 HydrophobicContact CB-CD1 4.3Å; A695-L702 WeakPolarHBondContact O-CB 3.33Å; A695-L702 PolarHBondContact O-N 2.84Å; L697-L702 HydrophobicContact CD1-CD1 3.93Å; L697-L702 HydrophobicContact CG-CD1 4.25Å; V700-L702 HydrophobicContact CG1-CD2 4.29Å; V700-L702 PolarHBondContact O-N 3.37Å; L702-P704 WeakPolarHBondContact O-CD 3.22Å
703	R	91.5	Very high	86.3	Confident	29 Å²	29	40 Å²	40	11%	0.109	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-63.3	128.5	171.5	-178.7	-174.5	59.6	127.6	-7.4	109.3	E392 D424 I431	E392-R703 IonicContact OE1-CZ 3.67Å; E392-R703 IonicContact OE1-NE 2.66Å; E392-R703 IonicContact OE1-NH2 3.84Å; E392-R703 PolarHBondContact OE1-NH2 3.47Å; D424-R703 IonicContact OD1-NH1 3.65Å; D424-R703 IonicContact OD2-CZ 2.68Å; D424-R703 IonicContact OD2-NH1 3.78Å; D424-R703 PolarHBondContact OD2-NH1 3.23Å; I431-R703 HydrophobicContact CD1-CB 4.15Å; I431-R703 HydrophobicContact CD1-CG 4.48Å
704	P	88.3	Confident	85.9	Confident	48 Å²	48	40 Å²	40	31%	0.312	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-60.3	138.5	172.8	-23.1	34.2	0	0	0	111.6	L476 M693 L702	L476-P704 HydrophobicContact CD1-CG 4.01Å; M693-P704 CarbonylContact O-C 3.58Å; M693-P704 WeakPolarHBondContact O-CA 3.41Å; L702-P704 WeakPolarHBondContact O-CD 3.22Å
705	V	84.3	Confident	85.5	Confident	53 Å²	53	41.1 Å²	41.1	32%	0.321	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	128.6	177.3	179.9	0	0	0	0	108.5	G692 M693	G692-V705 CarbonylContact C-O 3.54Å; G692-V705 VanDerWaalsContact CA-O 3.28Å; G692-V705 WeakPolarHBondContact CA-O 3.43Å; M693-V705 PolarHBondContact N-O 3.08Å; M693-V705 PolarHBondContact O-N 3.23Å
706	T	83.4	Confident	85.2	Confident	72 Å²	72	44.3 Å²	44.3	44%	0.442	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.4	175.4	-60.8	0	0	0	0	109.4	F690 F708 K709	F690-T706 HydrophobicContact CD2-CG2 3.98Å; F690-T706 HydrophobicContact CE2-CG2 3.61Å; T706-F708 WeakPolarHBondContact CG2-O 3.19Å; T706-K709 HydrophobicContact CG2-CB 4.14Å
707	F	77.9	Confident	84.5	Confident	83 Å²	83	47.8 Å²	47.8	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-41.6	174.5	-65.4	-43.9	0	0	0	111.3	A691 M693 K717	A691-F707 HydrophobicContact CB-CB 4.39Å; A691-F707 HydrophobicContact CB-CD2 4.35Å; A691-F707 PolarHBondContact O-N 3.22Å; M693-F707 HydrophobicContact CB-CE1 4.46Å; M693-F707 HydrophobicContact CB-CE2 3.93Å; M693-F707 HydrophobicContact CB-CZ 3.71Å; M693-F707 HydrophobicContact CG-CZ 4.49Å; M693-F707 HydrophobicContact SD-CZ 4.33Å; F707-K717 WeakPolarHBondContact O-CD 3.41Å; F707-K717 VanDerWaalsContact O-CE 3.3Å; F707-K717 WeakPolarHBondContact O-CE 3.2Å; F707-K717 PolarHBondContact O-NZ 3.19Å
708	F	78.4	Confident	83.4	Confident	21 Å²	21	51 Å²	51	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	156.6	169	58.1	-94.2	0	0	0	110.9	M672 A691 T706 D713 L714 K717	M672-F708 HydrophobicContact CG-CZ 4.49Å; M672-F708 HydrophobicContact SD-CZ 3.9Å; A691-F708 HydrophobicContact CB-CD1 4.04Å; A691-F708 HydrophobicContact CB-CE1 3.37Å; A691-F708 HydrophobicContact CB-CE2 4.11Å; A691-F708 HydrophobicContact CB-CZ 3.41Å; A691-F708 VanDerWaalsContact CB-CZ 3.41Å; A691-F708 PolarHBondContact N-O 2.91Å; A691-F708 PolarHBondContact O-N 3.24Å; T706-F708 WeakPolarHBondContact CG2-O 3.19Å; F708-D713 WeakPolarHBondContact CA-OD2 3.45Å; F708-D713 HydrophobicContact CB-CB 4.43Å; F708-D713 WeakPolarHBondContact CB-OD2 3.33Å; F708-L714 HydrophobicContact CB-CB 4.38Å; F708-L714 HydrophobicContact CD1-CD1 3.76Å; F708-L714 HydrophobicContact CD2-CB 3.72Å; F708-L714 HydrophobicContact CD2-CD1 4.18Å; F708-L714 HydrophobicContact CD2-CG 4.36Å; F708-L714 HydrophobicContact CE1-CD1 3.61Å; F708-L714 HydrophobicContact CE2-CB 4.11Å; F708-L714 HydrophobicContact CE2-CD1 4.04Å; F708-L714 HydrophobicContact CE2-CD2 4.11Å; F708-L714 HydrophobicContact CE2-CG 4.31Å; F708-L714 HydrophobicContact CG-CB 3.97Å; F708-L714 HydrophobicContact CG-CD1 4.04Å; F708-L714 HydrophobicContact CZ-CD1 3.76Å; F708-L714 HydrophobicContact CZ-CD2 4.32Å; F708-L714 HydrophobicContact CZ-CG 4.47Å; F708-K717 HydrophobicContact CB-CD 4.17Å
709	K	84.2	Confident	82.4	Confident	128 Å²	128	57.8 Å²	57.8	56%	0.557	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	124.7	170.6	-173.8	177.6	177.6	-178.6	0	110.1	E688 F690 T706 D713	E688-K709 WeakPolarHBondContact OE2-CE 3.34Å; F690-K709 HydrophobicContact CD2-CB 4.25Å; F690-K709 HydrophobicContact CD2-CG 4.31Å; T706-K709 HydrophobicContact CG2-CB 4.14Å; K709-D713 PolarHBondContact N-OD2 2.86Å; K709-D713 VanDerWaalsContact O-CB 3.3Å; K709-D713 WeakPolarHBondContact O-CB 3.1Å
710	G	84.1	Confident	81.2	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	31%	0.313	C	S	.	.	S	Bend	trans	84.7	152.4	-172.9	0	0	0	0	0	112.8	E688 S689 S712 D713 L714	E688-G710 WeakPolarHBondContact OE1-CA 3.16Å; S689-G710 PolarHBondContact O-N 3.02Å; G710-S712 VanDerWaalsContact C-N 3.29Å; G710-S712 PolarHBondContact O-N 2.91Å; G710-D713 PolarHBondContact O-N 3.08Å; G710-L714 PolarHBondContact O-N 3.11Å
711	Y	77.6	Confident	79.6	Confident	123 Å²	123	63.3 Å²	63.3	48%	0.482	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-35.6	-178.2	-168.8	-93.3	0	0	0	112.6	L675 L714 M715	L675-Y711 HydrophobicContact CD2-CD2 4.23Å; L675-Y711 HydrophobicContact CD2-CE2 3.51Å; L675-Y711 HydrophobicContact CG-CE2 4.5Å; Y711-L714 PolarHBondContact O-N 3.28Å; Y711-M715 HydrophobicContact CD1-CG 3.87Å; Y711-M715 HydrophobicContact CE1-CG 3.52Å; Y711-M715 HydrophobicContact CE1-SD 4.12Å; Y711-M715 WeakPolarHBondContact O-CG 3.46Å; Y711-M715 PolarHBondContact O-N 2.99Å
712	S	82.8	Confident	77.7	Confident	99 Å²	99	67.6 Å²	67.6	69%	0.692	36%	0.36	S	S	*	.	H	α-helix	trans	-65.6	-42.3	179.1	53.9	0	0	0	0	113.1	G710 S716	G710-S712 VanDerWaalsContact C-N 3.29Å; G710-S712 PolarHBondContact O-N 2.91Å; S712-S716 WeakPolarHBondContact O-CB 3.36Å; S712-S716 PolarHBondContact O-N 3.06Å
713	D	80.9	Confident	76.1	Confident	51 Å²	51	69.1 Å²	69.1	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-68.9	-40.5	178	-174.4	36.2	0	0	0	110.9	F708 K709 G710 S716 K717	F708-D713 WeakPolarHBondContact CA-OD2 3.45Å; F708-D713 HydrophobicContact CB-CB 4.43Å; F708-D713 WeakPolarHBondContact CB-OD2 3.33Å; K709-D713 PolarHBondContact N-OD2 2.86Å; K709-D713 VanDerWaalsContact O-CB 3.3Å; K709-D713 WeakPolarHBondContact O-CB 3.1Å; G710-D713 PolarHBondContact O-N 3.08Å; D713-S716 PolarHBondContact O-N 3.39Å; D713-K717 WeakPolarHBondContact O-CG 3.41Å; D713-K717 PolarHBondContact O-N 3.18Å; D713-K717 VanDerWaalsContact OD1-CE 3.23Å; D713-K717 WeakPolarHBondContact OD1-CE 3.23Å; D713-K717 IonicContact OD1-NZ 3.82Å; D713-K717 PolarHBondContact OD1-NZ 3.49Å; D713-K717 IonicContact OD2-NZ 3.2Å; D713-K717 PolarHBondContact OD2-NZ 3.37Å
714	L	76.7	Confident	74.7	Confident	20 Å²	20	74.7 Å²	74.7	11%	0.105	40%	0.404	C	S	.	.	H	α-helix	trans	-55.8	-54.1	172.9	171.2	60.7	0	0	0	111.7	L675 F708 G710 Y711 S716 K717 M718	L675-L714 HydrophobicContact CD1-CD2 3.51Å; L675-L714 HydrophobicContact CD2-CD2 3.71Å; L675-L714 HydrophobicContact CG-CD2 4.15Å; F708-L714 HydrophobicContact CB-CB 4.38Å; F708-L714 HydrophobicContact CD1-CD1 3.76Å; F708-L714 HydrophobicContact CD2-CB 3.72Å; F708-L714 HydrophobicContact CD2-CD1 4.18Å; F708-L714 HydrophobicContact CD2-CG 4.36Å; F708-L714 HydrophobicContact CE1-CD1 3.61Å; F708-L714 HydrophobicContact CE2-CB 4.11Å; F708-L714 HydrophobicContact CE2-CD1 4.04Å; F708-L714 HydrophobicContact CE2-CD2 4.11Å; F708-L714 HydrophobicContact CE2-CG 4.31Å; F708-L714 HydrophobicContact CG-CB 3.97Å; F708-L714 HydrophobicContact CG-CD1 4.04Å; F708-L714 HydrophobicContact CZ-CD1 3.76Å; F708-L714 HydrophobicContact CZ-CD2 4.32Å; F708-L714 HydrophobicContact CZ-CG 4.47Å; G710-L714 PolarHBondContact O-N 3.11Å; Y711-L714 PolarHBondContact O-N 3.28Å; L714-S716 VanDerWaalsContact C-N 3.31Å; L714-S716 PolarHBondContact O-N 3.12Å; L714-K717 PolarHBondContact O-N 2.94Å; L714-K717 VanDerWaalsContact O-N 3.17Å; L714-M718 WeakPolarHBondContact O-CB 3.23Å; L714-M718 PolarHBondContact O-N 2.72Å
715	M	77.2	Confident	73.7	Confident	43 Å²	43	75.8 Å²	75.8	21%	0.212	41%	0.411	C	S	.	.	H	α-helix	trans	-62.9	-40.3	-178.8	-67.8	-53.3	-57	0	0	111.3	Y711 K717 M718 F719	Y711-M715 HydrophobicContact CD1-CG 3.87Å; Y711-M715 HydrophobicContact CE1-CG 3.52Å; Y711-M715 HydrophobicContact CE1-SD 4.12Å; Y711-M715 WeakPolarHBondContact O-CG 3.46Å; Y711-M715 PolarHBondContact O-N 2.99Å; M715-K717 VanDerWaalsContact C-N 3.31Å; M715-K717 PolarHBondContact O-N 3.34Å; M715-M718 PolarHBondContact O-N 3.45Å; M715-F719 HydrophobicContact CB-CE2 4.41Å; M715-F719 HydrophobicContact CE-CD2 4.21Å; M715-F719 HydrophobicContact CE-CE2 3.35Å; M715-F719 HydrophobicContact CE-CZ 3.74Å; M715-F719 WeakPolarHBondContact O-CD2 2.96Å; M715-F719 PolarHBondContact O-N 3.41Å
716	S	80.4	Confident	73	Confident	77 Å²	77	79.8 Å²	79.8	54%	0.538	43%	0.428	S	S	.	.	H	α-helix	trans	-57.7	-44.7	174.7	-174.9	0	0	0	0	111.7	S712 D713 L714 S720	S712-S716 WeakPolarHBondContact O-CB 3.36Å; S712-S716 PolarHBondContact O-N 3.06Å; D713-S716 PolarHBondContact O-N 3.39Å; L714-S716 VanDerWaalsContact C-N 3.31Å; L714-S716 PolarHBondContact O-N 3.12Å; S716-S720 WeakPolarHBondContact O-CB 3.38Å; S716-S720 PolarHBondContact O-N 2.81Å; S716-S720 PolarHBondContact O-OG 3.09Å
717	K	75	Confident	72.3	Confident	73 Å²	73	81.4 Å²	81.4	32%	0.317	43%	0.434	S	S	.	.	H	α-helix	trans	-69.4	-44.7	179.9	-75.4	174.1	-178.6	156.6	0	111.5	F707 F708 D713 L714 M715 F719 S720 M721	F707-K717 WeakPolarHBondContact O-CD 3.41Å; F707-K717 VanDerWaalsContact O-CE 3.3Å; F707-K717 WeakPolarHBondContact O-CE 3.2Å; F707-K717 PolarHBondContact O-NZ 3.19Å; F708-K717 HydrophobicContact CB-CD 4.17Å; D713-K717 WeakPolarHBondContact O-CG 3.41Å; D713-K717 PolarHBondContact O-N 3.18Å; D713-K717 VanDerWaalsContact OD1-CE 3.23Å; D713-K717 WeakPolarHBondContact OD1-CE 3.23Å; D713-K717 IonicContact OD1-NZ 3.82Å; D713-K717 PolarHBondContact OD1-NZ 3.49Å; D713-K717 IonicContact OD2-NZ 3.2Å; D713-K717 PolarHBondContact OD2-NZ 3.37Å; L714-K717 PolarHBondContact O-N 2.94Å; L714-K717 VanDerWaalsContact O-N 3.17Å; M715-K717 VanDerWaalsContact C-N 3.31Å; M715-K717 PolarHBondContact O-N 3.34Å; K717-F719 VanDerWaalsContact C-N 3.33Å; K717-F719 PolarHBondContact O-N 2.94Å; K717-S720 WeakPolarHBondContact CA-OG 3.38Å; K717-S720 CarbonylContact O-C 3.49Å; K717-S720 PolarHBondContact O-N 2.62Å; K717-S720 PolarHBondContact O-OG 2.71Å; K717-M721 VanDerWaalsContact O-CG 3.31Å; K717-M721 WeakPolarHBondContact O-CG 3.46Å; K717-M721 PolarHBondContact O-N 2.73Å
718	M	68.8	Low	71.9	Confident	71 Å²	71	79.4 Å²	79.4	35%	0.35	43%	0.429	S	S	.	.	H	α-helix	trans	-57.4	-43	178.1	-168.9	-179.8	-173.9	0	0	112.4	L714 M715 S720 M721 V768 L770	L714-M718 WeakPolarHBondContact O-CB 3.23Å; L714-M718 PolarHBondContact O-N 2.72Å; M715-M718 PolarHBondContact O-N 3.45Å; M718-S720 VanDerWaalsContact C-N 3.29Å; M718-S720 PolarHBondContact O-N 3.31Å; M718-M721 PolarHBondContact O-N 3.3Å; M718-V768 HydrophobicContact CE-CG1 4.38Å; M718-L770 HydrophobicContact CE-CD1 4.18Å; M718-L770 HydrophobicContact CE-CG 4.38Å
719	F	68.4	Low	71.8	Confident	171 Å²	171	79.9 Å²	79.9	75%	0.75	43%	0.433	S	S	*	.	H	α-helix	trans	-73.6	-19.1	176.7	-73.2	-60.6	0	0	0	114	M715 K717	M715-F719 HydrophobicContact CB-CE2 4.41Å; M715-F719 HydrophobicContact CE-CD2 4.21Å; M715-F719 HydrophobicContact CE-CE2 3.35Å; M715-F719 HydrophobicContact CE-CZ 3.74Å; M715-F719 WeakPolarHBondContact O-CD2 2.96Å; M715-F719 PolarHBondContact O-N 3.41Å; K717-F719 VanDerWaalsContact C-N 3.33Å; K717-F719 PolarHBondContact O-N 2.94Å
720	S	66.2	Low	71.7	Confident	85 Å²	85	75.9 Å²	75.9	59%	0.594	42%	0.416	S	S	*	.	H	α-helix	trans	-95.8	-9	176.9	71.4	0	0	0	0	114.2	S716 K717 M718 S722	S716-S720 WeakPolarHBondContact O-CB 3.38Å; S716-S720 PolarHBondContact O-N 2.81Å; S716-S720 PolarHBondContact O-OG 3.09Å; K717-S720 WeakPolarHBondContact CA-OG 3.38Å; K717-S720 CarbonylContact O-C 3.49Å; K717-S720 PolarHBondContact O-N 2.62Å; K717-S720 PolarHBondContact O-OG 2.71Å; M718-S720 VanDerWaalsContact C-N 3.29Å; M718-S720 PolarHBondContact O-N 3.31Å; S720-S722 PolarHBondContact O-N 3.45Å
721	M	60.9	Low	71.9	Confident	75 Å²	75	76.2 Å²	76.2	37%	0.369	42%	0.419	S	S	.	.			trans	-73.3	121.7	-176	-88.6	177.1	70.9	0	0	111.1	K717 M718 M766	K717-M721 VanDerWaalsContact O-CG 3.31Å; K717-M721 WeakPolarHBondContact O-CG 3.46Å; K717-M721 PolarHBondContact O-N 2.73Å; M718-M721 PolarHBondContact O-N 3.3Å; M721-M766 HydrophobicContact CE-CB 3.96Å; M721-M766 HydrophobicContact CE-CE 3.87Å; M721-M766 WeakPolarHBondContact CE-O 3.45Å; M721-M766 HydrophobicContact SD-CE 4.03Å
722	S	53.7	Low	72.7	Confident	91 Å²	91	70.6 Å²	70.6	64%	0.636	40%	0.397	S	S	*	.			trans	-88	6.3	179.7	53.9	0	0	0	0	114.4	S720 E724	S720-S722 PolarHBondContact O-N 3.45Å; S722-E724 PolarHBondContact O-N 3.44Å; S722-E724 VanDerWaalsContact O-N 3.09Å
723	G	58.4	Low	73.2	Confident	38 Å²	38	66.4 Å²	66.4	39%	0.392	37%	0.367	S	S	.	.	S	Bend	trans	69.4	-6.4	-171.9	0	0	0	0	0	114.4
724	E	61.6	Low	73.9	Confident	146 Å²	146	64.1 Å²	64.1	68%	0.682	36%	0.355	S	S	*	.	S	Bend	trans	-77.2	144.5	177.8	-66.1	-172.7	157.9	0	0	112	S722 M726	S722-E724 PolarHBondContact O-N 3.44Å; S722-E724 VanDerWaalsContact O-N 3.09Å; E724-M726 PolarHBondContact O-N 3.05Å
725	P	66.5	Low	74.4	Confident	71 Å²	71	63.9 Å²	63.9	46%	0.461	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-61.3	129.1	178.4	-20.9	31.4	0	0	0	112.6	G764	P725-G764 CarbonylContact C-O 3.59Å; P725-G764 WeakPolarHBondContact CA-O 3.34Å
726	M	69	Low	75.1	Confident	136 Å²	136	62.1 Å²	62.1	67%	0.67	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.6	173.2	-63.5	-173.7	70.7	0	0	110.3	E724 V728 S763 G764	E724-M726 PolarHBondContact O-N 3.05Å; M726-V728 PolarHBondContact O-N 3.12Å; M726-S763 CarbonylContact O-C 3.57Å; M726-S763 VanDerWaalsContact O-CA 3.27Å; M726-S763 WeakPolarHBondContact O-CA 3.47Å; M726-G764 PolarHBondContact N-O 3.35Å; M726-G764 PolarHBondContact O-N 2.77Å
727	N	70	Confident	75.7	Confident	106 Å²	106	58.5 Å²	58.5	57%	0.567	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.1	174.2	-66.9	-36.3	0	0	0	110
728	V	68.4	Low	76.6	Confident	42 Å²	42	55.9 Å²	55.9	26%	0.255	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-46.5	-178.6	-167.3	0	0	0	0	111.2	M693 M726 I762	M693-V728 HydrophobicContact CE-CB 4.42Å; M693-V728 HydrophobicContact CE-CG1 3.21Å; M693-V728 HydrophobicContact SD-CG1 4.12Å; M726-V728 PolarHBondContact O-N 3.12Å; V728-I762 HydrophobicContact CB-CG2 4.48Å; V728-I762 PolarHBondContact N-O 3.22Å
729	V	76.3	Confident	77.7	Confident	31 Å²	31	53.6 Å²	53.6	19%	0.188	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	122.6	173.8	-179.1	0	0	0	0	108.3	L697 I760 D761 I762	L697-V729 HydrophobicContact CD1-CG1 4.36Å; V729-I760 HydrophobicContact CG1-CG2 4.24Å; V729-D761 CarbonylContact O-C 3.52Å; V729-D761 WeakPolarHBondContact O-CA 3.32Å; V729-I762 HydrophobicContact CB-CB 4.27Å; V729-I762 HydrophobicContact CB-CD1 4.25Å; V729-I762 HydrophobicContact CB-CG1 4.47Å; V729-I762 PolarHBondContact N-O 2.82Å; V729-I762 PolarHBondContact O-N 2.95Å
730	K	83.4	Confident	78.6	Confident	44 Å²	44	48.3 Å²	48.3	19%	0.191	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.7	172.5	-165.5	166.5	-166.1	133.8	0	107.8	L321 R393 I760 D761	L321-K730 HydrophobicContact CD1-CD 4.15Å; L321-K730 HydrophobicContact CD1-CG 3.99Å; R393-K730 PolarHBondContact NE-O 2.9Å; R393-K730 VanDerWaalsContact NE-O 3.16Å; R393-K730 PolarHBondContact NH1-O 2.87Å; R393-K730 PolarHBondContact NH2-O 2.9Å; K730-I760 CarbonylContact C-O 3.49Å; K730-I760 VanDerWaalsContact CA-O 3.28Å; K730-I760 WeakPolarHBondContact CA-O 3.22Å; K730-D761 WeakPolarHBondContact CD-OD1 3.24Å; K730-D761 WeakPolarHBondContact CE-OD2 3.4Å; K730-D761 HydrophobicContact CG-CB 4.38Å; K730-D761 VanDerWaalsContact NZ-CG 3.32Å; K730-D761 IonicContact NZ-OD1 2.81Å; K730-D761 PolarHBondContact NZ-OD1 3.06Å; K730-D761 IonicContact NZ-OD2 3.22Å; K730-D761 PolarHBondContact NZ-OD2 2.9Å
731	G	88.5	Confident	79.7	Confident	8 Å²	8	46 Å²	46	8%	0.082	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.1	171.1	176.2	0	0	0	0	0	115.8	R393 A759 I760	R393-G731 VanDerWaalsContact NH1-CA 3.29Å; G731-A759 WeakPolarHBondContact O-CA 3.29Å; G731-I760 PolarHBondContact N-O 2.78Å; G731-I760 PolarHBondContact O-N 3.09Å
732	L	93.6	Very high	81.1	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.2	175.6	-70.9	160.2	0	0	0	109.8	F316 L321 P327 F330 Q359 D362 L758 A759	F316-L732 HydrophobicContact CD1-CD1 3.74Å; F316-L732 HydrophobicContact CE1-CD1 3.72Å; L321-L732 HydrophobicContact CD2-CD1 4.32Å; P327-L732 HydrophobicContact CB-CD2 4.41Å; F330-L732 HydrophobicContact CB-CD1 4.09Å; F330-L732 HydrophobicContact CB-CD2 4.24Å; F330-L732 HydrophobicContact CD1-CB 4.39Å; F330-L732 HydrophobicContact CD2-CB 3.72Å; F330-L732 HydrophobicContact CD2-CD1 3.8Å; F330-L732 HydrophobicContact CD2-CG 4.27Å; F330-L732 HydrophobicContact CE1-CB 4.35Å; F330-L732 HydrophobicContact CE2-CB 3.65Å; F330-L732 HydrophobicContact CE2-CD1 4.48Å; F330-L732 HydrophobicContact CG-CB 4.07Å; F330-L732 HydrophobicContact CG-CD1 4.13Å; F330-L732 HydrophobicContact CG-CD2 4.31Å; F330-L732 HydrophobicContact CG-CG 4.42Å; F330-L732 HydrophobicContact CZ-CB 3.98Å; Q359-L732 HydrophobicContact CB-CD1 3.89Å; Q359-L732 HydrophobicContact CG-CD1 3.93Å; D362-L732 HydrophobicContact CB-CB 4.19Å; D362-L732 WeakPolarHBondContact CB-O 3.39Å; D362-L732 PolarHBondContact OD2-N 2.72Å; L732-L758 CarbonylContact C-O 3.48Å; L732-L758 WeakPolarHBondContact CA-O 2.97Å; L732-A759 HydrophobicContact CD2-CB 3.53Å
733	I	93.7	Very high	82.9	Confident	11 Å²	11	39.9 Å²	39.9	6%	0.056	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.3	-174.6	-53.7	174.7	0	0	0	108.9	F400 F698 L735 G757 L758 I760	F400-I733 HydrophobicContact CB-CG2 3.77Å; F400-I733 HydrophobicContact CD1-CG2 4.49Å; F400-I733 HydrophobicContact CD2-CD1 4.07Å; F400-I733 HydrophobicContact CD2-CG1 4.11Å; F400-I733 HydrophobicContact CD2-CG2 3.98Å; F400-I733 HydrophobicContact CE2-CD1 3.85Å; F400-I733 HydrophobicContact CE2-CG1 4.31Å; F400-I733 HydrophobicContact CG-CG2 3.83Å; F400-I733 HydrophobicContact CZ-CD1 4.27Å; F698-I733 HydrophobicContact CE2-CD1 4.35Å; I733-L735 HydrophobicContact CB-CD2 4.4Å; I733-L735 HydrophobicContact CG2-CD2 3.69Å; I733-L735 HydrophobicContact CG2-CG 4.34Å; I733-L735 PolarHBondContact O-N 3.34Å; I733-G757 WeakPolarHBondContact O-CA 2.98Å; I733-L758 PolarHBondContact N-O 3.29Å; I733-L758 PolarHBondContact O-N 3.27Å; I733-I760 HydrophobicContact CD1-CG2 4.22Å
734	L	94.4	Very high	84.5	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	100.1	169	-179	67.3	0	0	0	109.4	F330 L331 I334 S366 T736 D737 Q755 G756	F330-L734 HydrophobicContact CE1-CB 4.15Å; F330-L734 HydrophobicContact CZ-CB 4.34Å; L331-L734 HydrophobicContact CD2-CD1 3.56Å; I334-L734 HydrophobicContact CD1-CB 4.48Å; I334-L734 HydrophobicContact CD1-CD1 4.32Å; I334-L734 HydrophobicContact CD1-CD2 4.37Å; S366-L734 WeakPolarHBondContact O-CD2 3.28Å; L734-T736 WeakPolarHBondContact CD1-O 2.95Å; L734-D737 HydrophobicContact CD1-CB 4.33Å; L734-D737 HydrophobicContact CD2-CB 3.91Å; L734-D737 HydrophobicContact CG-CB 4.06Å; L734-Q755 HydrophobicContact CD1-CB 4.4Å; L734-G756 CarbonylContact C-O 3.57Å
735	L	88.9	Confident	86	Confident	15 Å²	15	31.1 Å²	31.1	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-57.6	-176.1	-65.5	-179.5	0	0	0	112.9	L209 F698 I733 G756 L758	L209-L735 HydrophobicContact CD1-CB 4.28Å; L209-L735 HydrophobicContact CD1-CD2 4.48Å; F698-L735 HydrophobicContact CD1-CD2 3.92Å; F698-L735 HydrophobicContact CD2-CD2 3.54Å; F698-L735 HydrophobicContact CE1-CD1 4.12Å; F698-L735 HydrophobicContact CE1-CD2 3.81Å; F698-L735 HydrophobicContact CE2-CD1 4.49Å; F698-L735 HydrophobicContact CE2-CD2 3.44Å; F698-L735 VanDerWaalsContact CE2-CD2 3.44Å; F698-L735 HydrophobicContact CG-CD2 3.8Å; F698-L735 HydrophobicContact CZ-CD1 3.91Å; F698-L735 HydrophobicContact CZ-CD2 3.58Å; F698-L735 HydrophobicContact CZ-CG 4.41Å; I733-L735 HydrophobicContact CB-CD2 4.4Å; I733-L735 HydrophobicContact CG2-CD2 3.69Å; I733-L735 HydrophobicContact CG2-CG 4.34Å; I733-L735 PolarHBondContact O-N 3.34Å; L735-G756 PolarHBondContact N-O 2.92Å; L735-L758 HydrophobicContact CD1-CB 3.52Å; L735-L758 HydrophobicContact CD1-CD2 3.94Å; L735-L758 HydrophobicContact CD1-CG 4.33Å; L735-L758 HydrophobicContact CG-CB 3.98Å
736	T	90.4	Very high	87.2	Confident	6 Å²	6	27.8 Å²	27.8	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.5	177.9	-62.4	0	0	0	0	107.9	L209 V211 L734 Q755 G756	L209-T736 WeakPolarHBondContact O-CB 3.28Å; L209-T736 WeakPolarHBondContact O-CG2 3.36Å; L209-T736 PolarHBondContact O-OG1 3.48Å; V211-T736 HydrophobicContact CG2-CG2 4.34Å; L734-T736 WeakPolarHBondContact CD1-O 2.95Å; T736-Q755 CarbonylContact O-C 3.55Å; T736-Q755 VanDerWaalsContact O-CA 3.23Å; T736-Q755 WeakPolarHBondContact O-CA 3.26Å; T736-G756 PolarHBondContact N-O 3.39Å; T736-G756 PolarHBondContact O-N 2.91Å
737	D	93.2	Very high	88.2	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	105.4	176.2	-172.3	38.5	0	0	0	109	F202 T204 R338 S402 H403 L734 F754 Q755	F202-D737 WeakPolarHBondContact CE2-OD2 3.35Å; T204-D737 PolarHBondContact N-O 3.39Å; R338-D737 IonicContact CZ-OD1 2.7Å; R338-D737 IonicContact CZ-OD2 3.75Å; R338-D737 IonicContact NH1-OD1 2.62Å; R338-D737 PolarHBondContact NH1-OD1 3.05Å; R338-D737 IonicContact NH1-OD2 3.76Å; R338-D737 IonicContact NH2-OD1 3.09Å; R338-D737 PolarHBondContact NH2-OD1 2.85Å; R338-D737 IonicContact NH2-OD2 2.91Å; R338-D737 PolarHBondContact NH2-OD2 3.42Å; S402-D737 VanDerWaalsContact OG-CB 3.31Å; S402-D737 WeakPolarHBondContact OG-CB 3.35Å; S402-D737 PolarHBondContact OG-OD2 2.89Å; H403-D737 IonicContact CE1-OD2 2.79Å; H403-D737 PolarHBondContact CE1-OD2 3Å; H403-D737 IonicContact ND1-OD2 3.58Å; H403-D737 PolarHBondContact ND1-OD2 2.86Å; L734-D737 HydrophobicContact CD1-CB 4.33Å; L734-D737 HydrophobicContact CD2-CB 3.91Å; L734-D737 HydrophobicContact CG-CB 4.06Å; D737-F754 CarbonylContact C-O 3.56Å; D737-F754 WeakPolarHBondContact CA-O 3.4Å; D737-Q755 PolarHBondContact OD1-NE2 3.09Å
738	H	93.3	Very high	89.2	Confident	19 Å²	19	16.6 Å²	16.6	9%	0.088	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.5	-179.2	178.5	93.1	0	0	0	107.7	F202 T203 V211 E753 F754	F202-H738 WeakPolarHBondContact O-CA 3.32Å; T203-H738 WeakPolarHBondContact CB-ND1 3.4Å; T203-H738 PolarHBondContact OG1-ND1 3.49Å; V211-H738 HydrophobicContact CB-CB 4.13Å; V211-H738 HydrophobicContact CG2-CB 3.74Å; H738-E753 CarbonylContact O-C 3.55Å; H738-E753 VanDerWaalsContact O-CA 3.28Å; H738-E753 WeakPolarHBondContact O-CA 3.36Å; H738-F754 HydrophobicContact CB-CB 4.22Å; H738-F754 PolarHBondContact N-O 2.9Å; H738-F754 PolarHBondContact O-N 2.88Å
739	S	91.8	Very high	90.2	Very high	22 Å²	22	16.1 Å²	16.1	15%	0.154	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.8	171.7	-177.4	0	0	0	0	107.5	G201 F202 A752	G201-S739 CarbonylContact C-O 3.57Å; G201-S739 WeakPolarHBondContact CA-O 3.49Å; F202-S739 VanDerWaalsContact CZ-CB 3.41Å; F202-S739 PolarHBondContact N-O 3.07Å; F202-S739 PolarHBondContact O-N 3.33Å; S739-A752 CarbonylContact C-O 3.48Å; S739-A752 WeakPolarHBondContact CA-O 3.48Å
740	Q	89.3	Confident	90.9	Very high	61 Å²	61	14.7 Å²	14.7	29%	0.285	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.9	176.3	-171.5	-177.4	14.7	0	0	109.1	I742 N751 A752	Q740-I742 HydrophobicContact CG-CD1 4.48Å; Q740-I742 HydrophobicContact CG-CG1 3.83Å; Q740-N751 WeakPolarHBondContact O-CA 3.44Å; Q740-A752 PolarHBondContact N-O 3.25Å; Q740-A752 PolarHBondContact O-N 3.2Å
741	V	88.9	Confident	91.2	Very high	36 Å²	36	13.9 Å²	13.9	22%	0.218	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.3	166.7	-172.2	0	0	0	0	108.9	E199 K749	E199-V741 HydrophobicContact CB-CB 4.31Å; E199-V741 WeakPolarHBondContact OE2-CG1 3.3Å; V741-K749 HydrophobicContact CG1-CD 4.17Å; V741-K749 HydrophobicContact CG1-CG 3.97Å
742	I	89.5	Confident	91.4	Very high	9 Å²	9	13.5 Å²	13.5	5%	0.046	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.9	-176.4	-57.4	172	0	0	0	107.7	H237 L239 I251 Q740 L744 A750	H237-I742 HydrophobicContact CB-CD1 4.26Å; H237-I742 VanDerWaalsContact CE1-CG2 3.47Å; H237-I742 WeakPolarHBondContact CE1-CG2 3.47Å; H237-I742 WeakPolarHBondContact NE2-CG2 3.37Å; L239-I742 HydrophobicContact CD1-CD1 4.38Å; I251-I742 HydrophobicContact CD1-CD1 4.15Å; Q740-I742 HydrophobicContact CG-CD1 4.48Å; Q740-I742 HydrophobicContact CG-CG1 3.83Å; I742-L744 HydrophobicContact CG2-CD2 3.97Å; I742-L744 PolarHBondContact O-N 3.01Å; I742-A750 HydrophobicContact CB-CB 4.16Å; I742-A750 PolarHBondContact N-O 2.61Å; I742-A750 PolarHBondContact O-N 2.86Å
743	Q	91	Very high	91.3	Very high	29 Å²	29	15.5 Å²	15.5	14%	0.136	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	101.3	171.7	-177	56.7	61.5	0	0	109.3	V171 A292 G747 L748	V171-Q743 VanDerWaalsContact O-CG 3.3Å; V171-Q743 WeakPolarHBondContact O-CG 3.32Å; A292-Q743 HydrophobicContact CB-CG 3.58Å; A292-Q743 VanDerWaalsContact CB-OE1 3.22Å; Q743-G747 PolarHBondContact NE2-O 3.1Å; Q743-G747 VanDerWaalsContact NE2-O 3.09Å; Q743-L748 PolarHBondContact NE2-O 2.81Å
744	L	92.5	Very high	91.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.			trans	-68.4	148.4	179.3	-61.2	172.9	0	0	0	110.2	V43 E235 I251 I742 S746 G747 L748 A750 V793	V43-L744 HydrophobicContact CG2-CD1 4.07Å; E235-L744 HydrophobicContact CG-CD2 4.48Å; E235-L744 WeakPolarHBondContact OE2-CA 3.32Å; I251-L744 HydrophobicContact CG2-CD1 4.33Å; I251-L744 HydrophobicContact CG2-CD2 4.3Å; I742-L744 HydrophobicContact CG2-CD2 3.97Å; I742-L744 PolarHBondContact O-N 3.01Å; L744-S746 PolarHBondContact O-N 3.08Å; L744-S746 VanDerWaalsContact O-N 3.11Å; L744-G747 PolarHBondContact O-N 2.61Å; L744-L748 HydrophobicContact CB-CB 4.24Å; L744-L748 WeakPolarHBondContact CB-O 3.49Å; L744-L748 HydrophobicContact CD1-CB 3.9Å; L744-L748 PolarHBondContact N-O 3.4Å; L744-A750 HydrophobicContact CD1-CB 4.15Å; L744-A750 HydrophobicContact CG-CB 4.27Å; L744-V793 HydrophobicContact CD1-CG1 4.17Å
745	Q	92.6	Very high	91.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.6	177.5	-170	174.9	24.8	0	0	113.1	G152 V171 S217 T219 E235 Q255 G747	G152-Q745 WeakPolarHBondContact CA-O 3.21Å; V171-Q745 VanDerWaalsContact CG1-O 3.3Å; V171-Q745 WeakPolarHBondContact CG1-O 3.45Å; S217-Q745 PolarHBondContact OG-OE1 3.43Å; T219-Q745 PolarHBondContact OG1-NE2 2.86Å; E235-Q745 WeakPolarHBondContact OE2-CB 3.43Å; E235-Q745 PolarHBondContact OE2-N 3.07Å; Q255-Q745 PolarHBondContact OE1-O 2.88Å; Q745-G747 PolarHBondContact O-N 3.26Å
746	S	92.3	Very high	91.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.5	172.4	51.4	0	0	0	0	114.4	T41 S253 L744 L748	T41-S746 VanDerWaalsContact OG1-CB 3.23Å; T41-S746 WeakPolarHBondContact OG1-CB 3.39Å; S253-S746 PolarHBondContact OG-OG 3.39Å; L744-S746 PolarHBondContact O-N 3.08Å; L744-S746 VanDerWaalsContact O-N 3.11Å; S746-L748 VanDerWaalsContact C-N 3.3Å; S746-L748 VanDerWaalsContact OG-CG 3.3Å; S746-L748 WeakPolarHBondContact OG-CG 3.26Å
747	G	89.9	Confident	91.8	Very high	5 Å²	5	14.1 Å²	14.1	5%	0.052	7%	0.073	C	C	.	.	S	Bend	trans	89.2	-6.6	-170.7	0	0	0	0	0	113.7	N148 Q743 L744 Q745	N148-G747 WeakPolarHBondContact CB-O 3.39Å; N148-G747 VanDerWaalsContact O-CA 3.28Å; N148-G747 WeakPolarHBondContact O-CA 3.36Å; Q743-G747 PolarHBondContact NE2-O 3.1Å; Q743-G747 VanDerWaalsContact NE2-O 3.09Å; L744-G747 PolarHBondContact O-N 2.61Å; Q745-G747 PolarHBondContact O-N 3.26Å
748	L	90.7	Very high	91.8	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	8%	0.078	C	C	.	.			trans	-72.8	145.6	177.9	-58	-177.7	0	0	0	111.8	V43 Y58 L149 Q743 L744 S746 V793 M795	V43-L748 HydrophobicContact CB-CD1 3.96Å; V43-L748 HydrophobicContact CG1-CD1 3.98Å; Y58-L748 HydrophobicContact CE2-CD1 4.2Å; L149-L748 HydrophobicContact CD2-CD2 3.7Å; Q743-L748 PolarHBondContact NE2-O 2.81Å; L744-L748 HydrophobicContact CB-CB 4.24Å; L744-L748 WeakPolarHBondContact CB-O 3.49Å; L744-L748 HydrophobicContact CD1-CB 3.9Å; L744-L748 PolarHBondContact N-O 3.4Å; S746-L748 VanDerWaalsContact C-N 3.3Å; S746-L748 VanDerWaalsContact OG-CG 3.3Å; S746-L748 WeakPolarHBondContact OG-CG 3.26Å; L748-V793 HydrophobicContact CB-CG1 4.07Å; L748-V793 HydrophobicContact CD1-CG1 4.23Å; L748-M795 HydrophobicContact CD2-CE 3.12Å; L748-M795 HydrophobicContact CD2-CG 3.71Å; L748-M795 HydrophobicContact CD2-SD 3.36Å; L748-M795 WeakPolarHBondContact CD2-SD 3.1Å; L748-M795 HydrophobicContact CG-CE 4.49Å
749	K	89.3	Confident	91.8	Very high	33 Å²	33	14.3 Å²	14.3	14%	0.143	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.9	173.8	179	168.5	171.2	147.3	0	109.5	E199 V295 V741 N751 V793 D794	E199-K749 IonicContact OE1-NZ 2.85Å; E199-K749 PolarHBondContact OE1-NZ 3.4Å; E199-K749 VanDerWaalsContact OE1-NZ 3.09Å; E199-K749 IonicContact OE2-NZ 3.02Å; E199-K749 PolarHBondContact OE2-NZ 2.91Å; V295-K749 HydrophobicContact CB-CD 4.46Å; V295-K749 PolarHBondContact O-NZ 2.91Å; V741-K749 HydrophobicContact CG1-CD 4.17Å; V741-K749 HydrophobicContact CG1-CG 3.97Å; K749-N751 WeakPolarHBondContact CE-OD1 3.19Å; K749-V793 WeakPolarHBondContact O-CA 3.47Å; K749-D794 PolarHBondContact O-N 2.85Å
750	A	90.9	Very high	91.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.9	170.1	0	0	0	0	0	110	I251 I742 L744 T792 V793	I251-A750 HydrophobicContact CD1-CB 3.88Å; I742-A750 HydrophobicContact CB-CB 4.16Å; I742-A750 PolarHBondContact N-O 2.61Å; I742-A750 PolarHBondContact O-N 2.86Å; L744-A750 HydrophobicContact CD1-CB 4.15Å; L744-A750 HydrophobicContact CG-CB 4.27Å; A750-T792 CarbonylContact C-O 3.54Å; A750-T792 VanDerWaalsContact CA-O 3.25Å; A750-T792 WeakPolarHBondContact CA-O 3.37Å; A750-V793 HydrophobicContact CB-CG2 3.93Å
751	N	90.7	Very high	91.6	Very high	27 Å²	27	11.7 Å²	11.7	14%	0.144	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.1	171.7	-53.2	-44.1	0	0	0	107.8	Q740 K749 V791 T792	Q740-N751 WeakPolarHBondContact O-CA 3.44Å; K749-N751 WeakPolarHBondContact CE-OD1 3.19Å; N751-V791 CarbonylContact O-C 3.59Å; N751-V791 WeakPolarHBondContact O-CA 3.33Å; N751-T792 PolarHBondContact N-O 2.93Å; N751-T792 PolarHBondContact O-N 3.35Å
752	A	91.8	Very high	91.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.7	171.9	0	0	0	0	0	108.8	L239 S739 Q740 F754 V791	L239-A752 HydrophobicContact CD1-CB 3.21Å; S739-A752 CarbonylContact C-O 3.48Å; S739-A752 WeakPolarHBondContact CA-O 3.48Å; Q740-A752 PolarHBondContact N-O 3.25Å; Q740-A752 PolarHBondContact O-N 3.2Å; A752-F754 HydrophobicContact CB-CE2 4.37Å; A752-V791 HydrophobicContact CB-CG2 3.95Å
753	E	92.8	Very high	90.7	Very high	46 Å²	46	10.6 Å²	10.6	22%	0.215	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	122.8	-179.8	-66.8	178.3	-168.2	0	0	108.7	Q335 H738 G789 N790	Q335-E753 PolarHBondContact NE2-OE2 2.86Å; Q335-E753 PolarHBondContact OE1-OE2 3.05Å; H738-E753 CarbonylContact O-C 3.55Å; H738-E753 VanDerWaalsContact O-CA 3.28Å; H738-E753 WeakPolarHBondContact O-CA 3.36Å; E753-G789 CarbonylContact O-C 3.56Å; E753-G789 WeakPolarHBondContact O-CA 3.34Å; E753-N790 PolarHBondContact N-O 3.11Å; E753-N790 PolarHBondContact O-N 2.82Å
754	F	94.1	Very high	89.8	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.1	172.4	-66.7	-102.9	0	0	0	108.9	V211 L239 V241 A249 D737 H738 A752 T788 G789 V791 V804	V211-F754 HydrophobicContact CG1-CD2 4.16Å; V211-F754 HydrophobicContact CG1-CE2 4.3Å; V211-F754 HydrophobicContact CG2-CB 3.69Å; V211-F754 HydrophobicContact CG2-CD1 4.45Å; V211-F754 HydrophobicContact CG2-CD2 4.22Å; V211-F754 HydrophobicContact CG2-CG 3.89Å; L239-F754 HydrophobicContact CB-CE2 3.71Å; L239-F754 HydrophobicContact CB-CZ 3.84Å; L239-F754 HydrophobicContact CD1-CE2 3.99Å; V241-F754 HydrophobicContact CG2-CD1 3.8Å; V241-F754 HydrophobicContact CG2-CE1 4.32Å; A249-F754 HydrophobicContact CB-CZ 4.12Å; D737-F754 CarbonylContact C-O 3.56Å; D737-F754 WeakPolarHBondContact CA-O 3.4Å; H738-F754 HydrophobicContact CB-CB 4.22Å; H738-F754 PolarHBondContact N-O 2.9Å; H738-F754 PolarHBondContact O-N 2.88Å; A752-F754 HydrophobicContact CB-CE2 4.37Å; F754-T788 CarbonylContact C-O 3.56Å; F754-T788 VanDerWaalsContact CA-O 3.24Å; F754-T788 WeakPolarHBondContact CA-O 3.44Å; F754-G789 VanDerWaalsContact CD1-CA 3.42Å; F754-V791 HydrophobicContact CE2-CG2 4.36Å; F754-V791 HydrophobicContact CZ-CG2 4.43Å; F754-V804 HydrophobicContact CE1-CG2 4.46Å
755	Q	94.4	Very high	88.9	Confident	7 Å²	7	10.6 Å²	10.6	3%	0.033	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.9	-178.8	-59.2	-175.3	-65.3	0	0	110.6	L331 Q335 L734 T736 D737 V787 T788	L331-Q755 HydrophobicContact CD1-CB 4.1Å; L331-Q755 HydrophobicContact CD2-CB 3.81Å; L331-Q755 HydrophobicContact CG-CB 4.44Å; Q335-Q755 VanDerWaalsContact NE2-NE2 3.16Å; L734-Q755 HydrophobicContact CD1-CB 4.4Å; T736-Q755 CarbonylContact O-C 3.55Å; T736-Q755 VanDerWaalsContact O-CA 3.23Å; T736-Q755 WeakPolarHBondContact O-CA 3.26Å; D737-Q755 PolarHBondContact OD1-NE2 3.09Å; Q755-V787 CarbonylContact O-C 3.53Å; Q755-V787 VanDerWaalsContact O-CA 3.27Å; Q755-V787 WeakPolarHBondContact O-CA 3.32Å; Q755-T788 PolarHBondContact N-O 2.96Å; Q755-T788 PolarHBondContact O-N 3.05Å
756	G	94.8	Very high	87.9	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.01	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.4	177.1	0	0	0	0	0	109.4	L734 L735 T736 V786	L734-G756 CarbonylContact C-O 3.57Å; L735-G756 PolarHBondContact N-O 2.92Å; T736-G756 PolarHBondContact N-O 3.39Å; T736-G756 PolarHBondContact O-N 2.91Å; G756-V786 CarbonylContact C-O 3.58Å; G756-V786 WeakPolarHBondContact CA-O 3.44Å
757	G	94.4	Very high	87	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.8	175.7	0	0	0	0	0	109.9	I733 M785 V786	I733-G757 WeakPolarHBondContact O-CA 2.98Å; G757-M785 WeakPolarHBondContact O-CA 3.33Å; G757-V786 PolarHBondContact N-O 3.47Å; G757-V786 PolarHBondContact O-N 3.13Å
758	L	93.3	Very high	86	Confident	20 Å²	20	22.7 Å²	22.7	11%	0.105	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.5	171.4	173.5	69	0	0	0	108.8	F698 L732 I733 L735 A784 M785	F698-L758 HydrophobicContact CE2-CD2 3.78Å; F698-L758 HydrophobicContact CZ-CD2 3.53Å; L732-L758 CarbonylContact C-O 3.48Å; L732-L758 WeakPolarHBondContact CA-O 2.97Å; I733-L758 PolarHBondContact N-O 3.29Å; I733-L758 PolarHBondContact O-N 3.27Å; L735-L758 HydrophobicContact CD1-CB 3.52Å; L735-L758 HydrophobicContact CD1-CD2 3.94Å; L735-L758 HydrophobicContact CD1-CG 4.33Å; L735-L758 HydrophobicContact CG-CB 3.98Å; L758-A784 CarbonylContact C-O 3.59Å; L758-A784 WeakPolarHBondContact CA-O 3.47Å; L758-M785 HydrophobicContact CD1-CB 4.04Å
759	A	93.6	Very high	85	Confident	2 Å²	2	24.3 Å²	24.3	2%	0.017	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.9	160.6	0	0	0	0	0	108.1	L321 P327 G731 L732 G783 A784	L321-A759 WeakPolarHBondContact O-CB 3.46Å; P327-A759 HydrophobicContact CG-CB 4.49Å; G731-A759 WeakPolarHBondContact O-CA 3.29Å; L732-A759 HydrophobicContact CD2-CB 3.53Å; A759-G783 CarbonylContact O-C 3.59Å; A759-G783 VanDerWaalsContact O-CA 3.23Å; A759-G783 WeakPolarHBondContact O-CA 3.4Å; A759-A784 HydrophobicContact CB-CB 4.32Å; A759-A784 PolarHBondContact N-O 3.23Å; A759-A784 PolarHBondContact O-N 3.05Å
760	I	89.2	Confident	84	Confident	12 Å²	12	27.9 Å²	27.9	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.2	178	-163.4	170.6	0	0	0	110	L697 V729 K730 G731 I733 I762	L697-I760 HydrophobicContact CD2-CD1 4.46Å; V729-I760 HydrophobicContact CG1-CG2 4.24Å; K730-I760 CarbonylContact C-O 3.49Å; K730-I760 VanDerWaalsContact CA-O 3.28Å; K730-I760 WeakPolarHBondContact CA-O 3.22Å; G731-I760 PolarHBondContact N-O 2.78Å; G731-I760 PolarHBondContact O-N 3.09Å; I733-I760 HydrophobicContact CD1-CG2 4.22Å; I760-I762 HydrophobicContact CD1-CD1 3.81Å; I760-I762 HydrophobicContact CD1-CG1 4.02Å; I760-I762 HydrophobicContact CG1-CD1 4.33Å; I760-I762 HydrophobicContact CG1-CG1 3.98Å
761	D	86.3	Confident	83.2	Confident	16 Å²	16	38.7 Å²	38.7	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	97	175.9	-166.6	19.5	0	0	0	108.6	V729 K730 R782	V729-D761 CarbonylContact O-C 3.52Å; V729-D761 WeakPolarHBondContact O-CA 3.32Å; K730-D761 WeakPolarHBondContact CD-OD1 3.24Å; K730-D761 WeakPolarHBondContact CE-OD2 3.4Å; K730-D761 HydrophobicContact CG-CB 4.38Å; K730-D761 VanDerWaalsContact NZ-CG 3.32Å; K730-D761 IonicContact NZ-OD1 2.81Å; K730-D761 PolarHBondContact NZ-OD1 3.06Å; K730-D761 IonicContact NZ-OD2 3.22Å; K730-D761 PolarHBondContact NZ-OD2 2.9Å; D761-R782 HydrophobicContact CB-CB 4.33Å; D761-R782 PolarHBondContact N-O 3.43Å; D761-R782 PolarHBondContact O-N 3.12Å
762	I	81.6	Confident	82.3	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.2	175.5	-57.3	176	0	0	0	107.4	V728 V729 I760 V779 N780 N781	V728-I762 HydrophobicContact CB-CG2 4.48Å; V728-I762 PolarHBondContact N-O 3.22Å; V729-I762 HydrophobicContact CB-CB 4.27Å; V729-I762 HydrophobicContact CB-CD1 4.25Å; V729-I762 HydrophobicContact CB-CG1 4.47Å; V729-I762 PolarHBondContact N-O 2.82Å; V729-I762 PolarHBondContact O-N 2.95Å; I760-I762 HydrophobicContact CD1-CD1 3.81Å; I760-I762 HydrophobicContact CD1-CG1 4.02Å; I760-I762 HydrophobicContact CG1-CD1 4.33Å; I760-I762 HydrophobicContact CG1-CG1 3.98Å; I762-V779 HydrophobicContact CG2-CG1 4.17Å; I762-N780 WeakPolarHBondContact CA-O 3.34Å; I762-N781 HydrophobicContact CG1-CB 4.43Å
763	S	78.6	Confident	81.5	Confident	12 Å²	12	51.9 Å²	51.9	8%	0.084	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.4	176.3	56.8	0	0	0	0	110.5	M726 V779 N780	M726-S763 CarbonylContact O-C 3.57Å; M726-S763 VanDerWaalsContact O-CA 3.27Å; M726-S763 WeakPolarHBondContact O-CA 3.47Å; S763-V779 CarbonylContact O-C 3.6Å; S763-V779 WeakPolarHBondContact O-CA 3.27Å; S763-N780 PolarHBondContact N-O 3.18Å; S763-N780 PolarHBondContact O-N 3.24Å
764	G	72.9	Confident	80.8	Confident	22 Å²	22	53.6 Å²	53.6	23%	0.227	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.1	178	0	0	0	0	0	110.8	P725 M726 S778	P725-G764 CarbonylContact C-O 3.59Å; P725-G764 WeakPolarHBondContact CA-O 3.34Å; M726-G764 PolarHBondContact N-O 3.35Å; M726-G764 PolarHBondContact O-N 2.77Å; G764-S778 CarbonylContact C-O 3.46Å; G764-S778 WeakPolarHBondContact CA-O 3.42Å
765	G	72.1	Confident	79.9	Confident	8 Å²	8	54.6 Å²	54.6	8%	0.082	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.7	169.6	0	0	0	0	0	110.1	T777 S778	G765-T777 CarbonylContact O-C 3.56Å; G765-T777 WeakPolarHBondContact O-CA 3.46Å; G765-S778 PolarHBondContact N-O 3.22Å; G765-S778 PolarHBondContact O-N 3.25Å
766	M	71.5	Confident	79.3	Confident	78 Å²	78	59.2 Å²	59.2	38%	0.384	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	127.1	174.5	-178.1	179.9	73.7	0	0	109.6	M721 V768 K776	M721-M766 HydrophobicContact CE-CB 3.96Å; M721-M766 HydrophobicContact CE-CE 3.87Å; M721-M766 WeakPolarHBondContact CE-O 3.45Å; M721-M766 HydrophobicContact SD-CE 4.03Å; M766-V768 HydrophobicContact CE-CG2 4.03Å; M766-V768 HydrophobicContact CG-CG2 3.87Å; M766-V768 HydrophobicContact SD-CG2 4Å; M766-K776 WeakPolarHBondContact CA-O 3.18Å
767	E	73.3	Confident	78.4	Confident	120 Å²	120	61.2 Å²	61.2	56%	0.561	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.3	173.2	-66.3	172.1	-171.1	0	0	107.5	S775 K776	E767-S775 CarbonylContact O-C 3.55Å; E767-S775 VanDerWaalsContact O-CA 3.28Å; E767-S775 WeakPolarHBondContact O-CA 3.13Å; E767-S775 PolarHBondContact O-OG 2.99Å; E767-K776 HydrophobicContact CB-CB 4.48Å; E767-K776 PolarHBondContact N-O 2.66Å; E767-K776 PolarHBondContact O-N 3.08Å
768	V	69.3	Low	77.7	Confident	60 Å²	60	62.6 Å²	62.6	36%	0.364	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.1	177.5	-177	0	0	0	0	108.2	M718 M766	M718-V768 HydrophobicContact CE-CG1 4.38Å; M766-V768 HydrophobicContact CE-CG2 4.03Å; M766-V768 HydrophobicContact CG-CG2 3.87Å; M766-V768 HydrophobicContact SD-CG2 4Å
769	S	69.1	Low	77.1	Confident	37 Å²	37	63.3 Å²	63.3	26%	0.259	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.6	168.8	-176.7	0	0	0	0	110.3	W771 Y772 R773 E774	S769-W771 PolarHBondContact O-N 2.73Å; S769-Y772 VanDerWaalsContact OG-CD2 3.31Å; S769-Y772 WeakPolarHBondContact OG-CD2 3.42Å; S769-Y772 PolarHBondContact OG-N 3.35Å; S769-R773 WeakPolarHBondContact O-CA 3.14Å; S769-R773 PolarHBondContact O-N 2.81Å; S769-E774 PolarHBondContact N-O 3.27Å; S769-E774 PolarHBondContact O-N 3.42Å; S769-E774 VanDerWaalsContact O-N 3.13Å
770	L	69.9	Low	76.6	Confident	107 Å²	107	64.4 Å²	64.4	56%	0.56	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.8	173	-65.7	174.9	0	0	0	112	M718 F820	M718-L770 HydrophobicContact CE-CD1 4.18Å; M718-L770 HydrophobicContact CE-CG 4.38Å; L770-F820 HydrophobicContact CD2-CE2 4.5Å; L770-F820 HydrophobicContact CD2-CZ 4.41Å
771	W	73.9	Confident	76.5	Confident	227 Å²	227	65.4 Å²	65.4	86%	0.86	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-48.3	179.4	-170	-91.1	0	0	0	112	S769 R773	S769-W771 PolarHBondContact O-N 2.73Å; W771-R773 PolarHBondContact O-N 3.29Å
772	Y	71.3	Confident	76.6	Confident	173 Å²	173	70.2 Å²	70.2	68%	0.678	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.8	175.8	-66.6	-70.5	0	0	0	112.6	S769 E774	S769-Y772 VanDerWaalsContact OG-CD2 3.31Å; S769-Y772 WeakPolarHBondContact OG-CD2 3.42Å; S769-Y772 PolarHBondContact OG-N 3.35Å; Y772-E774 WeakPolarHBondContact O-CG 3.43Å; Y772-E774 PolarHBondContact O-N 2.83Å
773	R	75.2	Confident	76.9	Confident	131 Å²	131	70.4 Å²	70.4	49%	0.494	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	40.7	-174.5	-56.7	-176.4	-177.6	178.8	2	112.4	S769 W771 F820 S821	S769-R773 WeakPolarHBondContact O-CA 3.14Å; S769-R773 PolarHBondContact O-N 2.81Å; W771-R773 PolarHBondContact O-N 3.29Å; R773-F820 VanDerWaalsContact C-CZ 3.45Å; R773-F820 VanDerWaalsContact CA-CE2 3.46Å; R773-F820 VanDerWaalsContact CA-CZ 3.5Å; R773-F820 HydrophobicContact CB-CD2 3.82Å; R773-F820 HydrophobicContact CB-CE2 3.76Å; R773-F820 HydrophobicContact CB-CG 4.39Å; R773-F820 HydrophobicContact CB-CZ 4.29Å; R773-F820 HydrophobicContact CG-CD2 4.41Å; R773-F820 HydrophobicContact CG-CE2 4.19Å; R773-F820 VanDerWaalsContact O-CD1 3.26Å; R773-F820 WeakPolarHBondContact O-CD1 3.28Å; R773-F820 WeakPolarHBondContact O-CE1 3.36Å; R773-F820 WeakPolarHBondContact O-CG 3.49Å; R773-F820 PolarHBondContact O-N 2.67Å; R773-S821 PolarHBondContact NH1-O 3.22Å
774	E	77.6	Confident	77.6	Confident	83 Å²	83	69.8 Å²	69.8	39%	0.388	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.2	179.6	-58.3	-164.3	142.4	0	0	110.7	S769 Y772 V818 Q819 F820	S769-E774 PolarHBondContact N-O 3.27Å; S769-E774 PolarHBondContact O-N 3.42Å; S769-E774 VanDerWaalsContact O-N 3.13Å; Y772-E774 WeakPolarHBondContact O-CG 3.43Å; Y772-E774 PolarHBondContact O-N 2.83Å; E774-V818 CarbonylContact C-O 3.02Å; E774-V818 WeakPolarHBondContact CA-O 3.44Å; E774-Q819 HydrophobicContact CG-CG 4.11Å; E774-Q819 PolarHBondContact OE1-NE2 2.81Å; E774-F820 VanDerWaalsContact C-CE1 3.49Å
775	S	76.3	Confident	78.5	Confident	20 Å²	20	71.5 Å²	71.5	14%	0.14	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134	168.9	178.2	0	0	0	0	109.9	E767 V818	E767-S775 CarbonylContact O-C 3.55Å; E767-S775 VanDerWaalsContact O-CA 3.28Å; E767-S775 WeakPolarHBondContact O-CA 3.13Å; E767-S775 PolarHBondContact O-OG 2.99Å; S775-V818 PolarHBondContact N-O 3.18Å; S775-V818 PolarHBondContact O-N 2.76Å
776	K	80.2	Confident	79.6	Confident	104 Å²	104	71.1 Å²	71.1	45%	0.452	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.4	173.1	-170.3	176.9	-177.9	178.4	0	109	M766 E767 I815 T816	M766-K776 WeakPolarHBondContact CA-O 3.18Å; E767-K776 HydrophobicContact CB-CB 4.48Å; E767-K776 PolarHBondContact N-O 2.66Å; E767-K776 PolarHBondContact O-N 3.08Å; K776-I815 HydrophobicContact CG-CG2 4.48Å; K776-T816 CarbonylContact C-O 3.58Å; K776-T816 WeakPolarHBondContact CA-O 3.49Å
777	T	76.5	Confident	80.7	Confident	43 Å²	43	67.7 Å²	67.7	26%	0.264	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.7	174.6	-53.1	0	0	0	0	108.5	G765 I815 T816	G765-T777 CarbonylContact O-C 3.56Å; G765-T777 WeakPolarHBondContact O-CA 3.46Å; T777-I815 CarbonylContact O-C 3.55Å; T777-I815 WeakPolarHBondContact O-CA 3.49Å; T777-T816 PolarHBondContact N-O 3.37Å; T777-T816 PolarHBondContact O-N 3.37Å
778	S	79.6	Confident	81.7	Confident	30 Å²	30	62.9 Å²	62.9	21%	0.21	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.3	173	56.6	0	0	0	0	109.9	G764 G765 F814	G764-S778 CarbonylContact C-O 3.46Å; G764-S778 WeakPolarHBondContact CA-O 3.42Å; G765-S778 PolarHBondContact N-O 3.22Å; G765-S778 PolarHBondContact O-N 3.25Å; S778-F814 CarbonylContact C-O 3.52Å; S778-F814 WeakPolarHBondContact CA-O 3.44Å
779	V	81.6	Confident	82.8	Confident	34 Å²	34	60 Å²	60	21%	0.206	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	107.1	169.5	-178.4	0	0	0	0	107	I762 S763 F814	I762-V779 HydrophobicContact CG2-CG1 4.17Å; S763-V779 CarbonylContact O-C 3.6Å; S763-V779 WeakPolarHBondContact O-CA 3.27Å; V779-F814 HydrophobicContact CB-CB 4.35Å; V779-F814 PolarHBondContact N-O 3.18Å; V779-F814 PolarHBondContact O-N 2.92Å
780	N	83.6	Confident	83.9	Confident	26 Å²	26	60.1 Å²	60.1	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.4	-178	-58.6	-22	0	0	0	108.5	I762 S763	I762-N780 WeakPolarHBondContact CA-O 3.34Å; S763-N780 PolarHBondContact N-O 3.18Å; S763-N780 PolarHBondContact O-N 3.24Å
781	N	86.4	Confident	85	Confident	33 Å²	33	55 Å²	55	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	103.6	175.2	-178.4	1.9	0	0	0	109.6	I762 S811 L812	I762-N781 HydrophobicContact CG1-CB 4.43Å; N781-S811 CarbonylContact O-C 3.56Å; N781-S811 WeakPolarHBondContact O-CA 3.32Å; N781-L812 WeakPolarHBondContact CB-O 3.38Å; N781-L812 PolarHBondContact N-O 3.16Å; N781-L812 PolarHBondContact O-N 3.29Å
782	R	88.1	Confident	85.8	Confident	117 Å²	117	44.6 Å²	44.6	44%	0.442	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129	175	-66.1	174.6	-177.6	179.5	2	109.3	D761 S811	D761-R782 HydrophobicContact CB-CB 4.33Å; D761-R782 PolarHBondContact N-O 3.43Å; D761-R782 PolarHBondContact O-N 3.12Å; R782-S811 WeakPolarHBondContact CG-OG 3.5Å
783	G	88.6	Confident	86.7	Confident	13 Å²	13	36.3 Å²	36.3	13%	0.134	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128	-177.9	0	0	0	0	0	112.4	A759 E809 A810	A759-G783 CarbonylContact O-C 3.59Å; A759-G783 VanDerWaalsContact O-CA 3.23Å; A759-G783 WeakPolarHBondContact O-CA 3.4Å; G783-E809 CarbonylContact O-C 3.56Å; G783-A810 PolarHBondContact N-O 2.88Å; G783-A810 PolarHBondContact O-N 2.79Å; G783-A810 VanDerWaalsContact O-O 3.13Å
784	A	92.9	Very high	87	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.5	168.8	0	0	0	0	0	109.6	P327 L758 A759 T808 E809	P327-A784 HydrophobicContact CG-CB 4.09Å; L758-A784 CarbonylContact C-O 3.59Å; L758-A784 WeakPolarHBondContact CA-O 3.47Å; A759-A784 HydrophobicContact CB-CB 4.32Å; A759-A784 PolarHBondContact N-O 3.23Å; A759-A784 PolarHBondContact O-N 3.05Å; A784-T808 CarbonylContact C-O 3.54Å; A784-T808 WeakPolarHBondContact CA-O 3.46Å; A784-E809 HydrophobicContact CB-CG 4.37Å
785	M	92.3	Very high	86.8	Confident	57 Å²	57	28.5 Å²	28.5	28%	0.281	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.8	-179.9	-174.6	179.5	59	0	0	110.3	G757 L758 V787 F806 E807 T808	G757-M785 WeakPolarHBondContact O-CA 3.33Å; L758-M785 HydrophobicContact CD1-CB 4.04Å; M785-V787 HydrophobicContact CG-CG2 4.5Å; M785-F806 HydrophobicContact CE-CE2 3.79Å; M785-F806 HydrophobicContact CE-CZ 4.48Å; M785-E807 CarbonylContact O-C 3.55Å; M785-E807 VanDerWaalsContact O-CA 3.23Å; M785-E807 WeakPolarHBondContact O-CA 3.45Å; M785-T808 HydrophobicContact CB-CG2 3.86Å; M785-T808 HydrophobicContact CE-CG2 3.79Å; M785-T808 PolarHBondContact N-O 3.3Å; M785-T808 PolarHBondContact O-N 3.33Å
786	V	95.1	Very high	86.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.9	172.9	173.2	0	0	0	0	108.5	A324 P327 R328 L331 G756 G757 T788 F806 E807	A324-V786 HydrophobicContact CB-CG2 4Å; A324-V786 VanDerWaalsContact O-CG2 3.29Å; A324-V786 WeakPolarHBondContact O-CG2 3.4Å; P327-V786 HydrophobicContact CB-CB 4.3Å; P327-V786 HydrophobicContact CB-CG2 4.25Å; P327-V786 HydrophobicContact CG-CB 4.31Å; P327-V786 HydrophobicContact CG-CG2 3.74Å; R328-V786 HydrophobicContact CB-CG1 4.27Å; R328-V786 HydrophobicContact CB-CG2 4.35Å; L331-V786 HydrophobicContact CD1-CG1 4.29Å; G756-V786 CarbonylContact C-O 3.58Å; G756-V786 WeakPolarHBondContact CA-O 3.44Å; G757-V786 PolarHBondContact N-O 3.47Å; G757-V786 PolarHBondContact O-N 3.13Å; V786-T788 HydrophobicContact CG1-CG2 3.87Å; V786-F806 WeakPolarHBondContact CA-O 3.33Å; V786-E807 HydrophobicContact CG2-CB 3.76Å
787	V	94.3	Very high	86.5	Confident	6 Å²	6	25.6 Å²	25.6	4%	0.036	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.4	168.9	-179.2	0	0	0	0	108.6	V241 Q755 M785 S805 F806	V241-V787 HydrophobicContact CG2-CG1 4.13Å; Q755-V787 CarbonylContact O-C 3.53Å; Q755-V787 VanDerWaalsContact O-CA 3.27Å; Q755-V787 WeakPolarHBondContact O-CA 3.32Å; M785-V787 HydrophobicContact CG-CG2 4.5Å; V787-S805 CarbonylContact O-C 3.54Å; V787-S805 WeakPolarHBondContact O-CA 3.34Å; V787-S805 VanDerWaalsContact O-CB 3.23Å; V787-S805 WeakPolarHBondContact O-CB 3.35Å; V787-F806 HydrophobicContact CB-CD1 3.82Å; V787-F806 HydrophobicContact CB-CE1 3.35Å; V787-F806 HydrophobicContact CB-CE2 4.28Å; V787-F806 HydrophobicContact CB-CG 4.48Å; V787-F806 HydrophobicContact CB-CZ 3.62Å; V787-F806 HydrophobicContact CG1-CD1 4.39Å; V787-F806 HydrophobicContact CG1-CE1 3.76Å; V787-F806 HydrophobicContact CG1-CZ 4.31Å; V787-F806 HydrophobicContact CG2-CD1 4.47Å; V787-F806 HydrophobicContact CG2-CE1 3.67Å; V787-F806 HydrophobicContact CG2-CE2 3.94Å; V787-F806 HydrophobicContact CG2-CZ 3.35Å; V787-F806 PolarHBondContact N-O 2.83Å; V787-F806 PolarHBondContact O-N 2.83Å
788	T	93.4	Very high	86.8	Confident	19 Å²	19	23.6 Å²	23.6	12%	0.117	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.7	175.9	61.7	0	0	0	0	109.4	L331 F754 Q755 V786 V804	L331-T788 HydrophobicContact CD1-CG2 4.22Å; F754-T788 CarbonylContact C-O 3.56Å; F754-T788 VanDerWaalsContact CA-O 3.24Å; F754-T788 WeakPolarHBondContact CA-O 3.44Å; Q755-T788 PolarHBondContact N-O 2.96Å; Q755-T788 PolarHBondContact O-N 3.05Å; V786-T788 HydrophobicContact CG1-CG2 3.87Å; T788-V804 CarbonylContact C-O 3.49Å; T788-V804 WeakPolarHBondContact CA-O 3.43Å
789	G	92.2	Very high	87.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	107.8	174.2	0	0	0	0	0	108.4	E753 F754 E803 V804	E753-G789 CarbonylContact O-C 3.56Å; E753-G789 WeakPolarHBondContact O-CA 3.34Å; F754-G789 VanDerWaalsContact CD1-CA 3.42Å; G789-E803 CarbonylContact O-C 3.58Å; G789-E803 VanDerWaalsContact O-CA 3.28Å; G789-E803 WeakPolarHBondContact O-CA 3.44Å; G789-V804 PolarHBondContact N-O 2.82Å; G789-V804 WeakPolarHBondContact O-CG2 3.15Å; G789-V804 PolarHBondContact O-N 3.24Å
790	N	92.4	Very high	87.6	Confident	39 Å²	39	25.3 Å²	25.3	21%	0.209	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.1	-179.4	-176.2	25.3	0	0	0	109.6	E753 T792 M802 Y845	E753-N790 PolarHBondContact N-O 3.11Å; E753-N790 PolarHBondContact O-N 2.82Å; N790-T792 WeakPolarHBondContact OD1-CG2 3.5Å; N790-M802 WeakPolarHBondContact CA-O 3.47Å; N790-Y845 PolarHBondContact OD1-OH 3.35Å
791	V	92.9	Very high	87.9	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.9	174.5	176.3	0	0	0	0	108.9	V45 A249 I251 N751 A752 F754 G801 M802	V45-V791 HydrophobicContact CG1-CB 4.28Å; V45-V791 HydrophobicContact CG1-CG1 4.03Å; A249-V791 HydrophobicContact CB-CB 4.16Å; A249-V791 HydrophobicContact CB-CG2 3.38Å; I251-V791 HydrophobicContact CD1-CG1 3.44Å; I251-V791 VanDerWaalsContact CD1-CG1 3.44Å; I251-V791 HydrophobicContact CG1-CG1 3.52Å; N751-V791 CarbonylContact O-C 3.59Å; N751-V791 WeakPolarHBondContact O-CA 3.33Å; A752-V791 HydrophobicContact CB-CG2 3.95Å; F754-V791 HydrophobicContact CE2-CG2 4.36Å; F754-V791 HydrophobicContact CZ-CG2 4.43Å; V791-G801 CarbonylContact O-C 3.55Å; V791-G801 WeakPolarHBondContact O-CA 3.38Å; V791-M802 PolarHBondContact N-O 2.73Å; V791-M802 PolarHBondContact O-N 2.86Å
792	T	91.9	Very high	88.2	Confident	8 Å²	8	22.5 Å²	22.5	5%	0.049	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.7	-177.4	65.8	0	0	0	0	110.2	A750 N751 N790 T800 Y845	A750-T792 CarbonylContact C-O 3.54Å; A750-T792 VanDerWaalsContact CA-O 3.25Å; A750-T792 WeakPolarHBondContact CA-O 3.37Å; N751-T792 PolarHBondContact N-O 2.93Å; N751-T792 PolarHBondContact O-N 3.35Å; N790-T792 WeakPolarHBondContact OD1-CG2 3.5Å; T792-T800 CarbonylContact C-O 3.58Å; T792-T800 WeakPolarHBondContact CA-O 3.29Å; T792-Y845 WeakPolarHBondContact CG2-OH 3.01Å
793	V	90.1	Very high	88.4	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.7	166.1	-172.3	0	0	0	0	106.9	V43 V45 I251 L744 L748 K749 A750 T800	V43-V793 HydrophobicContact CG1-CB 4.45Å; V43-V793 HydrophobicContact CG1-CG1 4.12Å; V43-V793 HydrophobicContact CG2-CB 4.29Å; V43-V793 HydrophobicContact CG2-CG1 4.03Å; V43-V793 HydrophobicContact CG2-CG2 3.83Å; V45-V793 HydrophobicContact CG2-CG2 3.77Å; I251-V793 HydrophobicContact CG2-CG2 4.25Å; L744-V793 HydrophobicContact CD1-CG1 4.17Å; L748-V793 HydrophobicContact CB-CG1 4.07Å; L748-V793 HydrophobicContact CD1-CG1 4.23Å; K749-V793 WeakPolarHBondContact O-CA 3.47Å; A750-V793 HydrophobicContact CB-CG2 3.93Å; V793-T800 HydrophobicContact CB-CG2 3.92Å; V793-T800 PolarHBondContact N-O 2.94Å; V793-T800 PolarHBondContact O-N 2.87Å; V793-T800 VanDerWaalsContact O-N 3.12Å
794	D	80.1	Confident	88.6	Confident	39 Å²	39	19.6 Å²	19.6	21%	0.209	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.9	-169.5	-159.4	4.8	0	0	0	111.1	K749	K749-D794 PolarHBondContact O-N 2.85Å
795	M	75.1	Confident	88.6	Confident	10 Å²	10	19.8 Å²	19.8	5%	0.049	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.9	161.8	-83.9	-150.2	-83.5	0	0	107.8	Y58 I60 L149 L748 F797 V798	Y58-M795 HydrophobicContact CE2-CE 3.52Å; Y58-M795 WeakPolarHBondContact OH-CE 3.38Å; I60-M795 HydrophobicContact CD1-CE 3.36Å; L149-M795 HydrophobicContact CD1-SD 3.84Å; L149-M795 HydrophobicContact CD2-CE 4.33Å; L149-M795 HydrophobicContact CD2-SD 4.02Å; L149-M795 HydrophobicContact CG-SD 4.17Å; L748-M795 HydrophobicContact CD2-CE 3.12Å; L748-M795 HydrophobicContact CD2-CG 3.71Å; L748-M795 HydrophobicContact CD2-SD 3.36Å; L748-M795 WeakPolarHBondContact CD2-SD 3.1Å; L748-M795 HydrophobicContact CG-CE 4.49Å; M795-F797 HydrophobicContact CB-CD1 4.25Å; M795-F797 HydrophobicContact CB-CE1 3.95Å; M795-F797 HydrophobicContact CB-CE2 4.45Å; M795-F797 HydrophobicContact CB-CZ 4.08Å; M795-F797 HydrophobicContact CE-CE1 4.27Å; M795-F797 HydrophobicContact CE-CE2 3.89Å; M795-F797 HydrophobicContact CE-CZ 3.42Å; M795-F797 VanDerWaalsContact CE-CZ 3.42Å; M795-F797 HydrophobicContact CG-CE1 4.42Å; M795-F797 HydrophobicContact CG-CZ 4.39Å; M795-F797 PolarHBondContact O-N 2.82Å; M795-F797 HydrophobicContact SD-CE1 3.64Å; M795-F797 HydrophobicContact SD-CE2 4.33Å; M795-F797 HydrophobicContact SD-CZ 3.39Å; M795-F797 WeakPolarHBondContact SD-CZ 3.28Å; M795-V798 HydrophobicContact CB-CG1 4.27Å; M795-V798 HydrophobicContact CE-CG1 4.48Å; M795-V798 PolarHBondContact N-O 2.84Å; M795-V798 CarbonylContact O-C 3.56Å; M795-V798 PolarHBondContact O-N 3.07Å
796	D	72.9	Confident	88.6	Confident	58 Å²	58	17.7 Å²	17.7	31%	0.31	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-15.3	-176.1	-50.2	-19.3	0	0	0	115.9	K116 S145 P849	K116-D796 IonicContact NZ-OD2 3.81Å; K116-D796 PolarHBondContact NZ-OD2 3.06Å; S145-D796 PolarHBondContact OG-OD2 3.48Å; D796-P849 WeakPolarHBondContact O-CG 3.46Å
797	F	75.3	Confident	88.5	Confident	5 Å²	5	19.3 Å²	19.3	2%	0.022	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-10.4	-177.7	55.5	-91.2	0	0	0	114.4	I60 I90 L111 L112 M795 L848 P849	I60-F797 HydrophobicContact CD1-CZ 4.42Å; I90-F797 HydrophobicContact CD1-CD2 3.96Å; I90-F797 HydrophobicContact CD1-CE2 3.64Å; L111-F797 WeakPolarHBondContact O-CB 3.47Å; L112-F797 HydrophobicContact CD2-CB 4.36Å; L112-F797 HydrophobicContact CD2-CD1 3.29Å; L112-F797 HydrophobicContact CD2-CD2 3.84Å; L112-F797 HydrophobicContact CD2-CE1 3.27Å; L112-F797 HydrophobicContact CD2-CE2 3.84Å; L112-F797 HydrophobicContact CD2-CG 3.55Å; L112-F797 HydrophobicContact CD2-CZ 3.54Å; L112-F797 HydrophobicContact CG-CG 4.44Å; M795-F797 HydrophobicContact CB-CD1 4.25Å; M795-F797 HydrophobicContact CB-CE1 3.95Å; M795-F797 HydrophobicContact CB-CE2 4.45Å; M795-F797 HydrophobicContact CB-CZ 4.08Å; M795-F797 HydrophobicContact CE-CE1 4.27Å; M795-F797 HydrophobicContact CE-CE2 3.89Å; M795-F797 HydrophobicContact CE-CZ 3.42Å; M795-F797 VanDerWaalsContact CE-CZ 3.42Å; M795-F797 HydrophobicContact CG-CE1 4.42Å; M795-F797 HydrophobicContact CG-CZ 4.39Å; M795-F797 PolarHBondContact O-N 2.82Å; M795-F797 HydrophobicContact SD-CE1 3.64Å; M795-F797 HydrophobicContact SD-CE2 4.33Å; M795-F797 HydrophobicContact SD-CZ 3.39Å; M795-F797 WeakPolarHBondContact SD-CZ 3.28Å; F797-L848 WeakPolarHBondContact O-CD2 3.47Å; F797-P849 WeakPolarHBondContact O-CD 3.37Å
798	V	84	Confident	88.4	Confident	2 Å²	2	20 Å²	20	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	130	175.1	62.7	0	0	0	0	109.9	Y58 I102 F103 M795 L848	Y58-V798 HydrophobicContact CD1-CB 4.38Å; Y58-V798 HydrophobicContact CD1-CG1 3.76Å; Y58-V798 HydrophobicContact CD1-CG2 3.66Å; Y58-V798 HydrophobicContact CD2-CG1 4.09Å; Y58-V798 HydrophobicContact CE1-CB 4.43Å; Y58-V798 HydrophobicContact CE1-CG1 3.57Å; Y58-V798 HydrophobicContact CE1-CG2 4.07Å; Y58-V798 HydrophobicContact CE2-CG1 3.94Å; Y58-V798 HydrophobicContact CG-CG1 4Å; Y58-V798 HydrophobicContact CG-CG2 4.21Å; I102-V798 HydrophobicContact CD1-CG2 4.36Å; F103-V798 HydrophobicContact CE1-CG2 4.36Å; F103-V798 HydrophobicContact CZ-CG2 4.03Å; M795-V798 HydrophobicContact CB-CG1 4.27Å; M795-V798 HydrophobicContact CE-CG1 4.48Å; M795-V798 PolarHBondContact N-O 2.84Å; M795-V798 CarbonylContact O-C 3.56Å; M795-V798 PolarHBondContact O-N 3.07Å; V798-L848 HydrophobicContact CB-CD2 4.22Å; V798-L848 HydrophobicContact CG2-CD2 4.22Å
799	R	86.1	Confident	88.4	Confident	99 Å²	99	22.1 Å²	22.1	37%	0.374	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.9	176.2	179.1	177.3	174	-179.5	-2.1	109.2	Y845 E846 S847	R799-Y845 HydrophobicContact CG-CE2 4.22Å; R799-Y845 PolarHBondContact NH2-OH 3.21Å; R799-E846 CarbonylContact O-C 3.58Å; R799-E846 WeakPolarHBondContact O-CA 3.12Å; R799-S847 PolarHBondContact N-O 3.37Å; R799-S847 PolarHBondContact O-N 2.86Å; R799-S847 PolarHBondContact O-OG 2.84Å
800	T	90.7	Very high	88.2	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145	171.4	-170.6	0	0	0	0	109.3	V43 V45 G57 Y58 T792 V793 Y845	V43-T800 HydrophobicContact CG1-CG2 4.4Å; V45-T800 HydrophobicContact CG2-CG2 4.4Å; G57-T800 PolarHBondContact N-OG1 3.19Å; Y58-T800 HydrophobicContact CD1-CG2 3.96Å; Y58-T800 HydrophobicContact CE1-CG2 3.7Å; T792-T800 CarbonylContact C-O 3.58Å; T792-T800 WeakPolarHBondContact CA-O 3.29Å; V793-T800 HydrophobicContact CB-CG2 3.92Å; V793-T800 PolarHBondContact N-O 2.94Å; V793-T800 PolarHBondContact O-N 2.87Å; V793-T800 VanDerWaalsContact O-N 3.12Å; T800-Y845 WeakPolarHBondContact CA-O 3.39Å; T800-Y845 PolarHBondContact OG1-O 2.81Å
801	G	91.7	Very high	88.1	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	171	178.9	0	0	0	0	0	113.9	V791 Y845	V791-G801 CarbonylContact O-C 3.55Å; V791-G801 WeakPolarHBondContact O-CA 3.38Å; G801-Y845 PolarHBondContact N-O 2.9Å; G801-Y845 PolarHBondContact O-N 3.06Å
802	M	92.3	Very high	87.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	128.1	176.6	-175.6	-179.9	73.9	0	0	108.9	V45 D46 R47 A249 N790 V791 V804 L842 T843 K844	V45-M802 HydrophobicContact CG1-CB 3.54Å; D46-M802 VanDerWaalsContact C-CE 3.43Å; D46-M802 WeakPolarHBondContact O-CE 3.48Å; R47-M802 HydrophobicContact CG-SD 4.19Å; R47-M802 PolarHBondContact N-SD 2.84Å; R47-M802 VanDerWaalsContact N-SD 3.45Å; A249-M802 HydrophobicContact CB-CE 3.46Å; A249-M802 VanDerWaalsContact CB-CE 3.46Å; N790-M802 WeakPolarHBondContact CA-O 3.47Å; V791-M802 PolarHBondContact N-O 2.73Å; V791-M802 PolarHBondContact O-N 2.86Å; M802-V804 HydrophobicContact CE-CG1 3.95Å; M802-V804 HydrophobicContact CG-CG1 4.44Å; M802-V804 HydrophobicContact SD-CG1 4.34Å; M802-L842 HydrophobicContact CG-CD1 3.36Å; M802-L842 HydrophobicContact SD-CD1 3.38Å; M802-L842 WeakPolarHBondContact SD-CD1 3.35Å; M802-T843 CarbonylContact C-O 3.58Å; M802-T843 WeakPolarHBondContact CA-O 3.18Å; M802-K844 HydrophobicContact CB-CG 4.41Å; M802-K844 HydrophobicContact CG-CG 3.94Å; M802-K844 HydrophobicContact SD-CG 4.4Å
803	E	92.8	Very high	87.7	Confident	63 Å²	63	24.7 Å²	24.7	29%	0.294	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.1	169.2	-171	-172.6	156.4	0	0	108.3	G789 L842 T843	G789-E803 CarbonylContact O-C 3.58Å; G789-E803 VanDerWaalsContact O-CA 3.28Å; G789-E803 WeakPolarHBondContact O-CA 3.44Å; E803-L842 CarbonylContact O-C 3.57Å; E803-L842 WeakPolarHBondContact O-CA 3.3Å; E803-T843 PolarHBondContact N-O 3.43Å; E803-T843 PolarHBondContact O-N 2.82Å
804	V	92.3	Very high	87.5	Confident	6 Å²	6	26.2 Å²	26.2	4%	0.036	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.7	166.2	-70.1	0	0	0	0	107.8	T247 F754 T788 G789 M802 S841 L842	T247-V804 HydrophobicContact CG2-CB 4.37Å; T247-V804 HydrophobicContact CG2-CG2 3.81Å; F754-V804 HydrophobicContact CE1-CG2 4.46Å; T788-V804 CarbonylContact C-O 3.49Å; T788-V804 WeakPolarHBondContact CA-O 3.43Å; G789-V804 PolarHBondContact N-O 2.82Å; G789-V804 WeakPolarHBondContact O-CG2 3.15Å; G789-V804 PolarHBondContact O-N 3.24Å; M802-V804 HydrophobicContact CE-CG1 3.95Å; M802-V804 HydrophobicContact CG-CG1 4.44Å; M802-V804 HydrophobicContact SD-CG1 4.34Å; V804-S841 WeakPolarHBondContact CA-O 3.48Å; V804-L842 HydrophobicContact CG1-CD1 3.71Å
805	S	92.7	Very high	87.9	Confident	4 Å²	4	26.1 Å²	26.1	3%	0.028	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	153.8	171.2	60	0	0	0	0	111.7	V787 E840 S841	V787-S805 CarbonylContact O-C 3.54Å; V787-S805 WeakPolarHBondContact O-CA 3.34Å; V787-S805 VanDerWaalsContact O-CB 3.23Å; V787-S805 WeakPolarHBondContact O-CB 3.35Å; S805-E840 CarbonylContact O-C 3.5Å; S805-E840 WeakPolarHBondContact O-CA 3.05Å; S805-S841 PolarHBondContact N-O 3.28Å; S805-S841 PolarHBondContact O-N 3.48Å; S805-S841 PolarHBondContact OG-OG 2.82Å
806	F	92.8	Very high	88.4	Confident	13 Å²	13	26.9 Å²	26.9	6%	0.057	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.1	165.2	71.8	-91.3	0	0	0	110.1	R244 T247 M785 V786 V787 F838 S839 E840	R244-F806 HydrophobicContact CB-CE1 4.32Å; R244-F806 HydrophobicContact CB-CZ 4.45Å; T247-F806 HydrophobicContact CG2-CD1 4.03Å; T247-F806 HydrophobicContact CG2-CE1 4.25Å; T247-F806 WeakPolarHBondContact OG1-CD1 3.36Å; T247-F806 WeakPolarHBondContact OG1-CE1 3.3Å; M785-F806 HydrophobicContact CE-CE2 3.79Å; M785-F806 HydrophobicContact CE-CZ 4.48Å; V786-F806 WeakPolarHBondContact CA-O 3.33Å; V787-F806 HydrophobicContact CB-CD1 3.82Å; V787-F806 HydrophobicContact CB-CE1 3.35Å; V787-F806 HydrophobicContact CB-CE2 4.28Å; V787-F806 HydrophobicContact CB-CG 4.48Å; V787-F806 HydrophobicContact CB-CZ 3.62Å; V787-F806 HydrophobicContact CG1-CD1 4.39Å; V787-F806 HydrophobicContact CG1-CE1 3.76Å; V787-F806 HydrophobicContact CG1-CZ 4.31Å; V787-F806 HydrophobicContact CG2-CD1 4.47Å; V787-F806 HydrophobicContact CG2-CE1 3.67Å; V787-F806 HydrophobicContact CG2-CE2 3.94Å; V787-F806 HydrophobicContact CG2-CZ 3.35Å; V787-F806 PolarHBondContact N-O 2.83Å; V787-F806 PolarHBondContact O-N 2.83Å; F806-F838 HydrophobicContact CB-CE2 4.17Å; F806-F838 HydrophobicContact CB-CZ 4.11Å; F806-F838 AromaticContact CD2-CE2 3.99Å; F806-F838 HydrophobicContact CD2-CE2 3.99Å; F806-F838 HydrophobicContact CG-CE2 4.47Å; F806-S839 CarbonylContact C-O 3.52Å; F806-S839 WeakPolarHBondContact CA-O 3.41Å; F806-E840 HydrophobicContact CB-CG 3.97Å
807	E	93.6	Very high	88.9	Confident	35 Å²	35	25.1 Å²	25.1	16%	0.164	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.3	179.9	75.2	-160.9	170	0	0	111.5	A324 R328 M785 V786 F838 S839	A324-E807 HydrophobicContact CB-CB 3.92Å; A324-E807 HydrophobicContact CB-CG 4.02Å; R328-E807 IonicContact CZ-OE2 3.74Å; R328-E807 IonicContact NH1-OE2 2.71Å; R328-E807 PolarHBondContact NH1-OE2 2.84Å; R328-E807 IonicContact NH2-OE2 3.89Å; R328-E807 PolarHBondContact NH2-OE2 2.8Å; M785-E807 CarbonylContact O-C 3.55Å; M785-E807 VanDerWaalsContact O-CA 3.23Å; M785-E807 WeakPolarHBondContact O-CA 3.45Å; V786-E807 HydrophobicContact CG2-CB 3.76Å; E807-F838 WeakPolarHBondContact O-CD2 3.23Å; E807-S839 VanDerWaalsContact CG-OG 3.22Å; E807-S839 WeakPolarHBondContact CG-OG 3.17Å; E807-S839 PolarHBondContact N-O 3.18Å; E807-S839 PolarHBondContact O-N 3.46Å; E807-S839 WeakPolarHBondContact OE1-CB 3.46Å; E807-S839 PolarHBondContact OE1-OG 3.28Å
808	T	91.7	Very high	89.3	Confident	19 Å²	19	26.3 Å²	26.3	12%	0.117	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	143.5	-179.9	-175.6	0	0	0	0	110.2	A784 M785 F836	A784-T808 CarbonylContact C-O 3.54Å; A784-T808 WeakPolarHBondContact CA-O 3.46Å; M785-T808 HydrophobicContact CB-CG2 3.86Å; M785-T808 HydrophobicContact CE-CG2 3.79Å; M785-T808 PolarHBondContact N-O 3.3Å; M785-T808 PolarHBondContact O-N 3.33Å; T808-F836 WeakPolarHBondContact OG1-CD2 3.13Å; T808-F836 WeakPolarHBondContact OG1-CE2 3.3Å
809	E	93	Very high	89.3	Confident	65 Å²	65	27.7 Å²	27.7	30%	0.304	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	83.1	-179.9	-62.1	176.3	173.6	0	0	109.2	K323 A324 G783 A784 F836 P837	K323-E809 WeakPolarHBondContact CA-OE1 3.19Å; A324-E809 HydrophobicContact CB-CG 3.99Å; A324-E809 WeakPolarHBondContact CB-OE1 3.3Å; A324-E809 PolarHBondContact N-OE1 2.91Å; G783-E809 CarbonylContact O-C 3.56Å; A784-E809 HydrophobicContact CB-CG 4.37Å; E809-F836 WeakPolarHBondContact O-CB 3.33Å; E809-P837 HydrophobicContact CB-CG 4.05Å; E809-P837 HydrophobicContact CG-CG 4.33Å; E809-P837 PolarHBondContact N-O 2.77Å
810	A	88.9	Confident	88.9	Confident	38 Å²	38	24.6 Å²	24.6	31%	0.314	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.1	-174.3	0	0	0	0	0	112	G783 F836	G783-A810 PolarHBondContact N-O 2.88Å; G783-A810 PolarHBondContact O-N 2.79Å; G783-A810 VanDerWaalsContact O-O 3.13Å; A810-F836 HydrophobicContact CB-CD1 4.45Å; A810-F836 HydrophobicContact CB-CG 4.41Å
811	S	88.8	Confident	88.2	Confident	14 Å²	14	27.2 Å²	27.2	10%	0.098	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.9	162.3	-155.4	0	0	0	0	108.8	N781 R782 D813 T834	N781-S811 CarbonylContact O-C 3.56Å; N781-S811 WeakPolarHBondContact O-CA 3.32Å; R782-S811 WeakPolarHBondContact CG-OG 3.5Å; S811-D813 PolarHBondContact OG-OD1 3.42Å; S811-D813 VanDerWaalsContact OG-OD1 3.05Å; S811-T834 VanDerWaalsContact CB-OG1 3.27Å; S811-T834 WeakPolarHBondContact CB-OG1 3.27Å; S811-T834 PolarHBondContact O-N 3.44Å
812	L	88.3	Confident	87.3	Confident	21 Å²	21	34.6 Å²	34.6	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.2	170.5	-172.5	72.7	0	0	0	107.5	M622 M649 I651 N781 M831 D832 K833 F869	M622-L812 HydrophobicContact CE-CD1 4.28Å; M622-L812 HydrophobicContact CE-CD2 4.11Å; M649-L812 HydrophobicContact CE-CD2 3.94Å; I651-L812 HydrophobicContact CD1-CD2 4.13Å; N781-L812 WeakPolarHBondContact CB-O 3.38Å; N781-L812 PolarHBondContact N-O 3.16Å; N781-L812 PolarHBondContact O-N 3.29Å; L812-M831 HydrophobicContact CD1-CG 3.88Å; L812-M831 HydrophobicContact CD1-SD 4.41Å; L812-M831 HydrophobicContact CD2-CG 4.48Å; L812-M831 HydrophobicContact CD2-SD 4.46Å; L812-M831 HydrophobicContact CG-CG 4.29Å; L812-D832 WeakPolarHBondContact CA-O 3.45Å; L812-K833 HydrophobicContact CD1-CB 4.06Å; L812-F869 HydrophobicContact CD1-CD2 4.14Å; L812-F869 HydrophobicContact CD1-CE2 3.93Å
813	D	88.1	Confident	86.2	Confident	28 Å²	28	39.3 Å²	39.3	15%	0.15	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.4	-177.2	-60.2	-16.9	0	0	0	108.2	S811 D832	S811-D813 PolarHBondContact OG-OD1 3.42Å; S811-D813 VanDerWaalsContact OG-OD1 3.05Å; D813-D832 PolarHBondContact N-O 2.04Å; D813-D832 PolarHBondContact O-N 2.86Å
814	F	87.5	Confident	85.2	Confident	31 Å²	31	40.1 Å²	40.1	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.9	174.5	-173.1	-96.9	0	0	0	108.9	L634 S778 V779 T816 M829 Q830 M831	L634-F814 HydrophobicContact CD1-CZ 4.45Å; L634-F814 HydrophobicContact CD2-CE2 3.91Å; L634-F814 HydrophobicContact CD2-CZ 4.03Å; S778-F814 CarbonylContact C-O 3.52Å; S778-F814 WeakPolarHBondContact CA-O 3.44Å; V779-F814 HydrophobicContact CB-CB 4.35Å; V779-F814 PolarHBondContact N-O 3.18Å; V779-F814 PolarHBondContact O-N 2.92Å; F814-T816 WeakPolarHBondContact CE1-OG1 3.39Å; F814-M829 HydrophobicContact CE2-CB 4.46Å; F814-M829 HydrophobicContact CZ-CB 4.16Å; F814-M829 HydrophobicContact CZ-CG 4.19Å; F814-M829 HydrophobicContact CZ-SD 4.16Å; F814-Q830 WeakPolarHBondContact CA-O 3.2Å; F814-M831 HydrophobicContact CD2-CB 4.28Å; F814-M831 HydrophobicContact CD2-CG 4.49Å
815	I	87.1	Confident	84.6	Confident	38 Å²	38	41.2 Å²	41.2	20%	0.195	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129	-176.2	-55.2	169.4	0	0	0	107.8	K776 T777 M829 Q830	K776-I815 HydrophobicContact CG-CG2 4.48Å; T777-I815 CarbonylContact O-C 3.55Å; T777-I815 WeakPolarHBondContact O-CA 3.49Å; I815-M829 CarbonylContact O-C 3.57Å; I815-M829 WeakPolarHBondContact O-CA 3.45Å; I815-Q830 HydrophobicContact CB-CB 4.38Å; I815-Q830 PolarHBondContact N-O 3.38Å; I815-Q830 PolarHBondContact O-N 2.85Å
816	T	84.9	Confident	84.2	Confident	25 Å²	25	42.5 Å²	42.5	15%	0.153	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.6	173	-56.4	0	0	0	0	108.8	K776 T777 F814 V818 V827 C828 M829	K776-T816 CarbonylContact C-O 3.58Å; K776-T816 WeakPolarHBondContact CA-O 3.49Å; T777-T816 PolarHBondContact N-O 3.37Å; T777-T816 PolarHBondContact O-N 3.37Å; F814-T816 WeakPolarHBondContact CE1-OG1 3.39Å; T816-V818 HydrophobicContact CG2-CG2 3.91Å; T816-V827 HydrophobicContact CG2-CG1 4.07Å; T816-C828 WeakPolarHBondContact CA-O 3.4Å; T816-M829 HydrophobicContact CG2-CG 3.99Å
817	T	85.4	Confident	83.8	Confident	22 Å²	22	42.2 Å²	42.2	14%	0.135	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.8	173.8	-54.9	0	0	0	0	108.2	V827 C828 V882	T817-V827 WeakPolarHBondContact O-CA 3.41Å; T817-C828 PolarHBondContact N-O 3.32Å; T817-C828 PolarHBondContact O-N 3.27Å; T817-V882 HydrophobicContact CG2-CG1 4.03Å
818	V	82.6	Confident	83.6	Confident	29 Å²	29	40.6 Å²	40.6	18%	0.176	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.3	-179.8	-175.5	0	0	0	0	108.7	E774 S775 T816 F820 F825 L826 V827	E774-V818 CarbonylContact C-O 3.02Å; E774-V818 WeakPolarHBondContact CA-O 3.44Å; S775-V818 PolarHBondContact N-O 3.18Å; S775-V818 PolarHBondContact O-N 2.76Å; T816-V818 HydrophobicContact CG2-CG2 3.91Å; V818-F820 HydrophobicContact CG1-CB 4.39Å; V818-F820 HydrophobicContact CG1-CD1 4.23Å; V818-F825 HydrophobicContact CG1-CB 4.3Å; V818-L826 CarbonylContact C-O 3.56Å; V818-L826 WeakPolarHBondContact CA-O 3.44Å; V818-V827 HydrophobicContact CG1-CG2 4.24Å; V818-V827 HydrophobicContact CG2-CG1 4.3Å; V818-V827 HydrophobicContact CG2-CG2 4.29Å
819	Q	83.4	Confident	83.6	Confident	32 Å²	32	40.1 Å²	40.1	15%	0.15	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.4	166	-61.8	178.2	-33.1	0	0	108	E774 L826	E774-Q819 HydrophobicContact CG-CG 4.11Å; E774-Q819 PolarHBondContact OE1-NE2 2.81Å; Q819-L826 HydrophobicContact CB-CB 4.23Å; Q819-L826 PolarHBondContact N-O 2.95Å; Q819-L826 PolarHBondContact O-N 3.11Å
820	F	77.9	Confident	83.5	Confident	34 Å²	34	38.7 Å²	38.7	15%	0.149	21%	0.206	C	C	.	.			trans	-107.9	32.6	-174.4	56.2	-94	0	0	0	112.3	L770 R773 E774 V818 F825	L770-F820 HydrophobicContact CD2-CE2 4.5Å; L770-F820 HydrophobicContact CD2-CZ 4.41Å; R773-F820 VanDerWaalsContact C-CZ 3.45Å; R773-F820 VanDerWaalsContact CA-CE2 3.46Å; R773-F820 VanDerWaalsContact CA-CZ 3.5Å; R773-F820 HydrophobicContact CB-CD2 3.82Å; R773-F820 HydrophobicContact CB-CE2 3.76Å; R773-F820 HydrophobicContact CB-CG 4.39Å; R773-F820 HydrophobicContact CB-CZ 4.29Å; R773-F820 HydrophobicContact CG-CD2 4.41Å; R773-F820 HydrophobicContact CG-CE2 4.19Å; R773-F820 VanDerWaalsContact O-CD1 3.26Å; R773-F820 WeakPolarHBondContact O-CD1 3.28Å; R773-F820 WeakPolarHBondContact O-CE1 3.36Å; R773-F820 WeakPolarHBondContact O-CG 3.49Å; R773-F820 PolarHBondContact O-N 2.67Å; E774-F820 VanDerWaalsContact C-CE1 3.49Å; V818-F820 HydrophobicContact CG1-CB 4.39Å; V818-F820 HydrophobicContact CG1-CD1 4.23Å; F820-F825 VanDerWaalsContact CA-CD1 3.44Å; F820-F825 HydrophobicContact CB-CB 4.46Å; F820-F825 HydrophobicContact CB-CD1 3.56Å; F820-F825 HydrophobicContact CB-CD2 4.11Å; F820-F825 HydrophobicContact CB-CE1 3.68Å; F820-F825 HydrophobicContact CB-CE2 4.22Å; F820-F825 HydrophobicContact CB-CG 3.78Å; F820-F825 HydrophobicContact CB-CZ 4.02Å
821	S	76	Confident	83.6	Confident	55 Å²	55	37 Å²	37	39%	0.385	19%	0.191	S	C	.	.	S	Bend	trans	-68.6	-43.9	177.6	54.1	0	0	0	0	113.2	R773	R773-S821 PolarHBondContact NH1-O 3.22Å
822	E	73.3	Confident	83.7	Confident	155 Å²	155	38.7 Å²	38.7	72%	0.724	20%	0.2	S	C	*	.	S	Bend	trans	-133	146.7	178.6	-67.3	-174.5	173.9	0	0	110.9	P824 F825	E822-P824 CarbonylContact O-C 3.53Å; E822-P824 VanDerWaalsContact O-C 3.25Å; E822-F825 PolarHBondContact O-N 2.98Å
823	Y	68.4	Low	83.9	Confident	99 Å²	99	39.8 Å²	39.8	39%	0.388	20%	0.204	S	C	.	.	S	Bend	trans	-91.3	134.2	175.8	-178.1	-86.5	0	0	0	110.8	K570 G640 F825	K570-Y823 PolarHBondContact NZ-OH 2.95Å; G640-Y823 PolarHBondContact O-OH 3.02Å; Y823-F825 HydrophobicContact CD2-CE1 4.46Å
824	P	72	Confident	84	Confident	80 Å²	80	40.5 Å²	40.5	52%	0.519	21%	0.209	S	C	.	.	S	Bend	cis	-73.7	139.3	1.8	30.6	-34.8	0	0	0	112.6	E822	E822-P824 CarbonylContact O-C 3.53Å; E822-P824 VanDerWaalsContact O-C 3.25Å
825	F	81.1	Confident	84.2	Confident	29 Å²	29	42.7 Å²	42.7	13%	0.127	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-58.3	141.2	179.9	-54.2	-32	0	0	0	111.3	G642 I676 V818 F820 E822 Y823 V827	G642-F825 WeakPolarHBondContact O-CD2 3.48Å; I676-F825 HydrophobicContact CD1-CE2 4.18Å; I676-F825 HydrophobicContact CD1-CZ 3.96Å; V818-F825 HydrophobicContact CG1-CB 4.3Å; F820-F825 VanDerWaalsContact CA-CD1 3.44Å; F820-F825 HydrophobicContact CB-CB 4.46Å; F820-F825 HydrophobicContact CB-CD1 3.56Å; F820-F825 HydrophobicContact CB-CD2 4.11Å; F820-F825 HydrophobicContact CB-CE1 3.68Å; F820-F825 HydrophobicContact CB-CE2 4.22Å; F820-F825 HydrophobicContact CB-CG 3.78Å; F820-F825 HydrophobicContact CB-CZ 4.02Å; E822-F825 PolarHBondContact O-N 2.98Å; Y823-F825 HydrophobicContact CD2-CE1 4.46Å; F825-V827 HydrophobicContact CB-CG2 4.42Å; F825-V827 PolarHBondContact O-N 3.31Å
826	L	82.8	Confident	84.4	Confident	31 Å²	31	42 Å²	42	16%	0.162	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	115.2	171.1	-74.1	171.6	0	0	0	108.2	V818 Q819 R881 V882	V818-L826 CarbonylContact C-O 3.56Å; V818-L826 WeakPolarHBondContact CA-O 3.44Å; Q819-L826 HydrophobicContact CB-CB 4.23Å; Q819-L826 PolarHBondContact N-O 2.95Å; Q819-L826 PolarHBondContact O-N 3.11Å; L826-R881 HydrophobicContact CD2-CB 4.42Å; L826-V882 HydrophobicContact CB-CG2 4.27Å
827	V	85.5	Confident	84.7	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.9	177.7	-175.9	0	0	0	0	108.7	T816 T817 V818 F825 M829 M878	T816-V827 HydrophobicContact CG2-CG1 4.07Å; T817-V827 WeakPolarHBondContact O-CA 3.41Å; V818-V827 HydrophobicContact CG1-CG2 4.24Å; V818-V827 HydrophobicContact CG2-CG1 4.3Å; V818-V827 HydrophobicContact CG2-CG2 4.29Å; F825-V827 HydrophobicContact CB-CG2 4.42Å; F825-V827 PolarHBondContact O-N 3.31Å; V827-M829 HydrophobicContact CG1-CG 4.1Å; V827-M878 HydrophobicContact CB-SD 4.4Å; V827-M878 WeakPolarHBondContact O-CB 3.08Å
828	C	89.5	Confident	85	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123	169.7	174.4	0	0	0	0	109.6	T816 T817 C879 V882 F883	T816-C828 WeakPolarHBondContact CA-O 3.4Å; T817-C828 PolarHBondContact N-O 3.32Å; T817-C828 PolarHBondContact O-N 3.27Å; C828-C879 WeakPolarHBondContact CA-SG 3.32Å; C828-C879 HydrophobicContact CB-CB 3.94Å; C828-C879 WeakPolarHBondContact CB-SG 3.26Å; C828-C879 WeakPolarHBondContact SG-CA 3.43Å; C828-C879 WeakPolarHBondContact SG-CB 3.49Å; C828-C879 CovalentContact SG-SG 2.04Å; C828-C879 PolarHBondContact SG-SG 3.13Å; C828-V882 HydrophobicContact CB-CB 4.14Å; C828-V882 HydrophobicContact CB-CG1 4.32Å; C828-V882 HydrophobicContact CB-CG2 3.93Å; C828-F883 VanDerWaalsContact SG-CE2 3.57Å
829	M	90.4	Very high	85.4	Confident	9 Å²	9	42.3 Å²	42.3	4%	0.044	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.7	174.4	-63.8	168.9	-71	0	0	110.1	L634 I636 F814 I815 T816 V827 L871 N875	L634-M829 HydrophobicContact CD2-SD 4.33Å; I636-M829 HydrophobicContact CD1-CE 3.62Å; I636-M829 HydrophobicContact CD1-SD 3.13Å; I636-M829 WeakPolarHBondContact CD1-SD 3.4Å; F814-M829 HydrophobicContact CE2-CB 4.46Å; F814-M829 HydrophobicContact CZ-CB 4.16Å; F814-M829 HydrophobicContact CZ-CG 4.19Å; F814-M829 HydrophobicContact CZ-SD 4.16Å; I815-M829 CarbonylContact O-C 3.57Å; I815-M829 WeakPolarHBondContact O-CA 3.45Å; T816-M829 HydrophobicContact CG2-CG 3.99Å; V827-M829 HydrophobicContact CG1-CG 4.1Å; M829-L871 HydrophobicContact CB-CD1 3.48Å; M829-L871 VanDerWaalsContact CB-CD1 3.48Å; M829-L871 HydrophobicContact CE-CD1 4.42Å; M829-N875 WeakPolarHBondContact CB-OD1 3.28Å; M829-N875 HydrophobicContact CE-CB 4.35Å; M829-N875 WeakPolarHBondContact CE-OD1 3.32Å; M829-N875 PolarHBondContact N-OD1 3.39Å; M829-N875 PolarHBondContact O-ND2 3.41Å
830	Q	91	Very high	85.8	Confident	35 Å²	35	42.8 Å²	42.8	16%	0.164	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.7	176.5	-64.1	173	-80.8	0	0	108.9	F814 I815 E868	F814-Q830 WeakPolarHBondContact CA-O 3.2Å; I815-Q830 HydrophobicContact CB-CB 4.38Å; I815-Q830 PolarHBondContact N-O 3.38Å; I815-Q830 PolarHBondContact O-N 2.85Å; Q830-E868 PolarHBondContact NE2-OE1 2.82Å
831	M	91.4	Very high	86.5	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	94.1	169.8	-170.9	-171.4	-31	0	0	107.1	Y632 M649 L812 F814 E868 F869 L871	Y632-M831 HydrophobicContact CD2-CE 3.45Å; Y632-M831 VanDerWaalsContact CD2-CE 3.45Å; Y632-M831 HydrophobicContact CD2-SD 4.19Å; Y632-M831 HydrophobicContact CE2-CE 3.68Å; Y632-M831 HydrophobicContact CG-CE 4.16Å; Y632-M831 HydrophobicContact CG-SD 4.32Å; M649-M831 HydrophobicContact CE-CE 4.18Å; M649-M831 HydrophobicContact CE-CG 4.42Å; M649-M831 HydrophobicContact CE-SD 3.7Å; L812-M831 HydrophobicContact CD1-CG 3.88Å; L812-M831 HydrophobicContact CD1-SD 4.41Å; L812-M831 HydrophobicContact CD2-CG 4.48Å; L812-M831 HydrophobicContact CD2-SD 4.46Å; L812-M831 HydrophobicContact CG-CG 4.29Å; F814-M831 HydrophobicContact CD2-CB 4.28Å; F814-M831 HydrophobicContact CD2-CG 4.49Å; M831-E868 WeakPolarHBondContact O-CA 3.35Å; M831-F869 HydrophobicContact CB-CB 4.29Å; M831-F869 HydrophobicContact CE-CB 4.42Å; M831-F869 HydrophobicContact CG-CB 4.44Å; M831-F869 HydrophobicContact CG-CD2 4.08Å; M831-F869 PolarHBondContact O-N 2.87Å; M831-F869 HydrophobicContact SD-CB 4.07Å; M831-F869 HydrophobicContact SD-CD2 3.84Å; M831-F869 HydrophobicContact SD-CG 4.32Å; M831-L871 HydrophobicContact CE-CD2 3.7Å
832	D	91.6	Very high	87.2	Confident	51 Å²	51	40.4 Å²	40.4	27%	0.273	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.3	-174.4	-173.3	22	0	0	0	110.4	L812 D813 E868	L812-D832 WeakPolarHBondContact CA-O 3.45Å; D813-D832 PolarHBondContact N-O 2.04Å; D813-D832 PolarHBondContact O-N 2.86Å; D832-E868 HydrophobicContact CB-CG 4.4Å
833	K	91.6	Very high	88.1	Confident	44 Å²	44	33.8 Å²	33.8	19%	0.191	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112.1	172.7	-176.3	-154.6	77.3	-174.9	0	107	L812 F836 P865 G866 S867 F869	L812-K833 HydrophobicContact CD1-CB 4.06Å; K833-F836 HydrophobicContact CD-CE1 3.88Å; K833-F836 HydrophobicContact CG-CE1 4.22Å; K833-P865 VanDerWaalsContact CE-O 3.29Å; K833-P865 WeakPolarHBondContact CE-O 3.3Å; K833-P865 PolarHBondContact NZ-O 3.04Å; K833-G866 CarbonylContact O-C 3.53Å; K833-G866 WeakPolarHBondContact O-CA 3.15Å; K833-S867 WeakPolarHBondContact CB-O 3.33Å; K833-S867 WeakPolarHBondContact CE-OG 3.31Å; K833-S867 PolarHBondContact N-O 2.86Å; K833-S867 PolarHBondContact NZ-OG 3.39Å; K833-S867 VanDerWaalsContact NZ-OG 3.1Å; K833-S867 PolarHBondContact O-N 3.02Å; K833-F869 HydrophobicContact CB-CD2 4.4Å; K833-F869 HydrophobicContact CB-CE2 3.7Å; K833-F869 HydrophobicContact CB-CZ 4.28Å; K833-F869 HydrophobicContact CD-CE2 4.14Å; K833-F869 HydrophobicContact CD-CZ 3.93Å; K833-F869 HydrophobicContact CG-CE2 4.27Å
834	T	90.5	Very high	89.2	Confident	43 Å²	43	29.9 Å²	29.9	26%	0.264	17%	0.167	S	C	.	.			trans	-67.5	162.9	-178.6	65.8	0	0	0	0	111.5	S811 F836	S811-T834 VanDerWaalsContact CB-OG1 3.27Å; S811-T834 WeakPolarHBondContact CB-OG1 3.27Å; S811-T834 PolarHBondContact O-N 3.44Å; T834-F836 WeakPolarHBondContact O-CD1 3.48Å; T834-F836 PolarHBondContact O-N 2.87Å
835	T	92	Very high	90	Very high	76 Å²	76	27.7 Å²	27.7	47%	0.466	15%	0.149	S	C	.	.			trans	-70.5	129.1	173.1	-64	0	0	0	0	109.2	L863 L864 G866	T835-L863 HydrophobicContact CG2-CD1 3.99Å; T835-L863 HydrophobicContact CG2-CD2 3.43Å; T835-L863 VanDerWaalsContact CG2-CD2 3.43Å; T835-L863 HydrophobicContact CG2-CG 3.44Å; T835-L863 VanDerWaalsContact CG2-CG 3.44Å; T835-L864 WeakPolarHBondContact CA-O 3.49Å; T835-L864 WeakPolarHBondContact CG2-O 3.48Å; T835-G866 PolarHBondContact OG1-N 3.15Å
836	F	90.3	Very high	90.4	Very high	25 Å²	25	26.4 Å²	26.4	11%	0.11	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.1	-175.1	60.1	-86.4	0	0	0	114.7	T808 E809 A810 K833 T834 L864	T808-F836 WeakPolarHBondContact OG1-CD2 3.13Å; T808-F836 WeakPolarHBondContact OG1-CE2 3.3Å; E809-F836 WeakPolarHBondContact O-CB 3.33Å; A810-F836 HydrophobicContact CB-CD1 4.45Å; A810-F836 HydrophobicContact CB-CG 4.41Å; K833-F836 HydrophobicContact CD-CE1 3.88Å; K833-F836 HydrophobicContact CG-CE1 4.22Å; T834-F836 WeakPolarHBondContact O-CD1 3.48Å; T834-F836 PolarHBondContact O-N 2.87Å; F836-L864 HydrophobicContact CD1-CB 4.37Å; F836-L864 HydrophobicContact CD2-CB 4.25Å; F836-L864 HydrophobicContact CD2-CD1 4.12Å; F836-L864 HydrophobicContact CE1-CB 4.07Å; F836-L864 HydrophobicContact CE2-CB 3.99Å; F836-L864 HydrophobicContact CE2-CD1 3.3Å; F836-L864 HydrophobicContact CE2-CG 4.19Å; F836-L864 HydrophobicContact CG-CB 4.44Å; F836-L864 HydrophobicContact CZ-CB 3.87Å; F836-L864 HydrophobicContact CZ-CD1 3.54Å; F836-L864 HydrophobicContact CZ-CG 4.35Å; F836-L864 PolarHBondContact N-O 3.45Å; F836-L864 VanDerWaalsContact N-O 3.1Å; F836-L864 PolarHBondContact O-N 3.38Å
837	P	92.4	Very high	90.6	Very high	57 Å²	57	26 Å²	26	37%	0.37	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.3	174	31.5	-34.4	0	0	0	111.3	E809 L863	E809-P837 HydrophobicContact CB-CG 4.05Å; E809-P837 HydrophobicContact CG-CG 4.33Å; E809-P837 PolarHBondContact N-O 2.77Å; P837-L863 HydrophobicContact CB-CD1 4.5Å
838	F	91.1	Very high	90.5	Very high	13 Å²	13	26.9 Å²	26.9	6%	0.057	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.8	169.6	177.4	-102.2	0	0	0	109	R244 F806 E807 E840 Q862 L864	R244-F838 VanDerWaalsContact NH2-CE1 3.27Å; F806-F838 HydrophobicContact CB-CE2 4.17Å; F806-F838 HydrophobicContact CB-CZ 4.11Å; F806-F838 AromaticContact CD2-CE2 3.99Å; F806-F838 HydrophobicContact CD2-CE2 3.99Å; F806-F838 HydrophobicContact CG-CE2 4.47Å; E807-F838 WeakPolarHBondContact O-CD2 3.23Å; F838-E840 HydrophobicContact CE1-CG 3.49Å; F838-E840 VanDerWaalsContact CE1-CG 3.49Å; F838-E840 HydrophobicContact CZ-CG 3.48Å; F838-E840 VanDerWaalsContact CZ-CG 3.48Å; F838-Q862 PolarHBondContact N-O 2.83Å; F838-Q862 PolarHBondContact O-N 2.83Å; F838-L864 HydrophobicContact CB-CD1 3.76Å; F838-L864 HydrophobicContact CB-CG 3.99Å; F838-L864 HydrophobicContact CG-CD1 4.19Å
839	S	91.8	Very high	89.8	Confident	12 Å²	12	31.5 Å²	31.5	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.8	178.4	111.9	0	0	0	0	111.6	F806 E807 H860	F806-S839 CarbonylContact C-O 3.52Å; F806-S839 WeakPolarHBondContact CA-O 3.41Å; E807-S839 VanDerWaalsContact CG-OG 3.22Å; E807-S839 WeakPolarHBondContact CG-OG 3.17Å; E807-S839 PolarHBondContact N-O 3.18Å; E807-S839 PolarHBondContact O-N 3.46Å; E807-S839 WeakPolarHBondContact OE1-CB 3.46Å; E807-S839 PolarHBondContact OE1-OG 3.28Å; S839-H860 CarbonylContact C-O 3.43Å; S839-H860 WeakPolarHBondContact CA-O 3.41Å
840	E	91.6	Very high	88.7	Confident	41 Å²	41	35.7 Å²	35.7	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.2	169.2	-67.9	-176.3	161.8	0	0	108.7	R244 S805 F806 F838 G859 H860	R244-E840 IonicContact CZ-OE1 3.07Å; R244-E840 VanDerWaalsContact CZ-OE1 3.24Å; R244-E840 IonicContact NE-OE1 2.87Å; R244-E840 PolarHBondContact NE-OE1 2.79Å; R244-E840 IonicContact NH2-OE1 3.43Å; R244-E840 PolarHBondContact NH2-OE1 2.94Å; S805-E840 CarbonylContact O-C 3.5Å; S805-E840 WeakPolarHBondContact O-CA 3.05Å; F806-E840 HydrophobicContact CB-CG 3.97Å; F838-E840 HydrophobicContact CE1-CG 3.49Å; F838-E840 VanDerWaalsContact CE1-CG 3.49Å; F838-E840 HydrophobicContact CZ-CG 3.48Å; F838-E840 VanDerWaalsContact CZ-CG 3.48Å; E840-G859 CarbonylContact O-C 3.45Å; E840-G859 WeakPolarHBondContact O-CA 3.39Å; E840-H860 PolarHBondContact N-O 3.36Å; E840-H860 PolarHBondContact O-N 2.82Å
841	S	91.6	Very high	87.7	Confident	32 Å²	32	37.3 Å²	37.3	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.1	174.1	84.4	0	0	0	0	111.5	V804 S805 R858	V804-S841 WeakPolarHBondContact CA-O 3.48Å; S805-S841 PolarHBondContact N-O 3.28Å; S805-S841 PolarHBondContact O-N 3.48Å; S805-S841 PolarHBondContact OG-OG 2.82Å; S841-R858 CarbonylContact C-O 3.57Å; S841-R858 WeakPolarHBondContact CA-O 3.49Å
842	L	91.5	Very high	86.9	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119	171.6	164.3	73.7	0	0	0	107.2	R47 M802 E803 V804 K844 R857 R858	R47-L842 HydrophobicContact CG-CD1 4.13Å; R47-L842 HydrophobicContact CG-CD2 4.15Å; M802-L842 HydrophobicContact CG-CD1 3.36Å; M802-L842 HydrophobicContact SD-CD1 3.38Å; M802-L842 WeakPolarHBondContact SD-CD1 3.35Å; E803-L842 CarbonylContact O-C 3.57Å; E803-L842 WeakPolarHBondContact O-CA 3.3Å; V804-L842 HydrophobicContact CG1-CD1 3.71Å; L842-K844 HydrophobicContact CD1-CG 4.11Å; L842-K844 HydrophobicContact CD2-CD 4.43Å; L842-K844 HydrophobicContact CG-CG 4.32Å; L842-R857 CarbonylContact O-C 3.54Å; L842-R857 WeakPolarHBondContact O-CA 3.43Å; L842-R858 PolarHBondContact N-O 3.41Å; L842-R858 PolarHBondContact O-N 2.88Å
843	T	91.9	Very high	86.5	Confident	17 Å²	17	47.1 Å²	47.1	10%	0.104	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.8	171.6	-59	0	0	0	0	108.6	M802 E803 V855 S856 R857	M802-T843 CarbonylContact C-O 3.58Å; M802-T843 WeakPolarHBondContact CA-O 3.18Å; E803-T843 PolarHBondContact N-O 3.43Å; E803-T843 PolarHBondContact O-N 2.82Å; T843-V855 HydrophobicContact CG2-CG1 3.82Å; T843-S856 CarbonylContact C-O 3.55Å; T843-S856 WeakPolarHBondContact CA-O 3.37Å; T843-R857 HydrophobicContact CG2-CG 3.95Å
844	K	91.2	Very high	86.2	Confident	17 Å²	17	46.5 Å²	46.5	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.7	171.6	-68.4	175.7	179.1	175.3	0	108.5	D46 G54 A56 M802 L842 V855 S856	D46-K844 VanDerWaalsContact OD1-CE 3.24Å; D46-K844 WeakPolarHBondContact OD1-CE 3.28Å; D46-K844 IonicContact OD1-NZ 3.06Å; D46-K844 PolarHBondContact OD1-NZ 3.23Å; D46-K844 IonicContact OD2-NZ 2.75Å; G54-K844 WeakPolarHBondContact O-CD 3.44Å; G54-K844 PolarHBondContact O-NZ 3.29Å; A56-K844 HydrophobicContact CB-CB 4.17Å; M802-K844 HydrophobicContact CB-CG 4.41Å; M802-K844 HydrophobicContact CG-CG 3.94Å; M802-K844 HydrophobicContact SD-CG 4.4Å; L842-K844 HydrophobicContact CD1-CG 4.11Å; L842-K844 HydrophobicContact CD2-CD 4.43Å; L842-K844 HydrophobicContact CG-CG 4.32Å; K844-V855 CarbonylContact O-C 3.56Å; K844-V855 WeakPolarHBondContact O-CA 3.47Å; K844-S856 PolarHBondContact N-O 3.41Å; K844-S856 PolarHBondContact O-N 2.94Å
845	Y	89.5	Confident	86.1	Confident	33 Å²	33	48 Å²	48	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.2	-179.5	62.5	-87.7	0	0	0	113.4	N790 T792 R799 T800 G801 Y854	N790-Y845 PolarHBondContact OD1-OH 3.35Å; T792-Y845 WeakPolarHBondContact CG2-OH 3.01Å; R799-Y845 HydrophobicContact CG-CE2 4.22Å; R799-Y845 PolarHBondContact NH2-OH 3.21Å; T800-Y845 WeakPolarHBondContact CA-O 3.39Å; T800-Y845 PolarHBondContact OG1-O 2.81Å; G801-Y845 PolarHBondContact N-O 2.9Å; G801-Y845 PolarHBondContact O-N 3.06Å; Y845-Y854 CarbonylContact C-O 3.57Å; Y845-Y854 WeakPolarHBondContact CA-O 3.21Å; Y845-Y854 WeakPolarHBondContact CB-O 3.18Å
846	E	89.5	Confident	85.9	Confident	3 Å²	3	46 Å²	46	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.9	170.9	-57.8	166.2	-164.7	0	0	106.5	A56 G57 N92 R96 I102 R799 S853 Y854	A56-E846 WeakPolarHBondContact CA-OE1 3.49Å; A56-E846 HydrophobicContact CB-CG 4.04Å; G57-E846 PolarHBondContact N-OE1 3.18Å; G57-E846 VanDerWaalsContact N-OE1 3.15Å; N92-E846 PolarHBondContact ND2-OE2 3Å; R96-E846 IonicContact CZ-OE1 3.14Å; R96-E846 IonicContact NE-OE1 3.39Å; R96-E846 IonicContact NH2-OE1 2.89Å; R96-E846 PolarHBondContact NH2-OE1 2.72Å; I102-E846 HydrophobicContact CD1-CB 3.77Å; R799-E846 CarbonylContact O-C 3.58Å; R799-E846 WeakPolarHBondContact O-CA 3.12Å; E846-S853 CarbonylContact O-C 3.57Å; E846-S853 WeakPolarHBondContact O-CA 3.44Å; E846-Y854 HydrophobicContact CB-CD1 4.32Å; E846-Y854 HydrophobicContact CG-CD1 4.12Å; E846-Y854 PolarHBondContact N-O 2.65Å; E846-Y854 PolarHBondContact O-N 3.48Å
847	S	86.5	Confident	85.9	Confident	21 Å²	21	54.3 Å²	54.3	15%	0.147	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.3	-173.5	57.7	0	0	0	0	111.2	R799 S853	R799-S847 PolarHBondContact N-O 3.37Å; R799-S847 PolarHBondContact O-N 2.86Å; R799-S847 PolarHBondContact O-OG 2.84Å; S847-S853 WeakPolarHBondContact CB-OG 3.43Å
848	L	83.6	Confident	85.8	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.141	32%	0.32	C	S	.	.			trans	-97.8	158.9	167.6	-63.6	177.8	0	0	0	109.6	I102 F103 L111 F797 V798 S850	I102-L848 HydrophobicContact CB-CD1 4.44Å; I102-L848 HydrophobicContact CB-CG 4.44Å; I102-L848 HydrophobicContact CD1-CD2 4.23Å; I102-L848 HydrophobicContact CD1-CG 4.2Å; I102-L848 WeakPolarHBondContact O-CD1 3.07Å; F103-L848 HydrophobicContact CD1-CD2 4.33Å; F103-L848 HydrophobicContact CE1-CD2 3.84Å; L111-L848 HydrophobicContact CD2-CD1 3.56Å; L111-L848 HydrophobicContact CD2-CD2 3.77Å; L111-L848 HydrophobicContact CD2-CG 4.31Å; F797-L848 WeakPolarHBondContact O-CD2 3.47Å; V798-L848 HydrophobicContact CB-CD2 4.22Å; V798-L848 HydrophobicContact CG2-CD2 4.22Å; L848-S850 WeakPolarHBondContact CB-O 3.45Å; L848-S850 PolarHBondContact O-N 3.36Å; L848-S850 VanDerWaalsContact O-N 3.14Å
849	P	74.6	Confident	85.6	Confident	96 Å²	96	62.3 Å²	62.3	62%	0.623	35%	0.351	S	S	*	.	S	Bend	trans	-56.8	-27.2	176	-25.6	32.2	0	0	0	113.8	D796 F797	D796-P849 WeakPolarHBondContact O-CG 3.46Å; F797-P849 WeakPolarHBondContact O-CD 3.37Å
850	S	68.7	Low	85.5	Confident	98 Å²	98	66.8 Å²	66.8	69%	0.685	37%	0.37	S	S	*	.	S	Bend	trans	-139	145.3	174.1	55.4	0	0	0	0	109.8	L848	L848-S850 WeakPolarHBondContact CB-O 3.45Å; L848-S850 PolarHBondContact O-N 3.36Å; L848-S850 VanDerWaalsContact O-N 3.14Å
851	G	70.1	Confident	85.5	Confident	68 Å²	68	73.2 Å²	73.2	70%	0.701	40%	0.397	S	S	*	.	S	Bend	trans	105.3	-174.7	179.3	0	0	0	0	0	114.8
852	K	72.8	Confident	85.5	Confident	196 Å²	196	76.4 Å²	76.4	85%	0.852	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-77.3	128.7	-177.1	-72	-177	179.1	177.8	0	110.6
853	S	83.4	Confident	85.5	Confident	64 Å²	64	81.5 Å²	81.5	45%	0.448	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-84.7	145.8	174.2	-60.9	0	0	0	0	111.1	E846 S847	E846-S853 CarbonylContact O-C 3.57Å; E846-S853 WeakPolarHBondContact O-CA 3.44Å; S847-S853 WeakPolarHBondContact CB-OG 3.43Å
854	Y	86.3	Confident	85.4	Confident	31 Å²	31	83 Å²	83	12%	0.122	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.1	166.2	169.6	-102.7	0	0	0	109.1	R96 K100 Y845 E846	R96-Y854 PolarHBondContact NH1-OH 3.17Å; K100-Y854 HydrophobicContact CB-CD2 4.07Å; K100-Y854 HydrophobicContact CB-CE2 4.27Å; K100-Y854 HydrophobicContact CD-CE2 4.2Å; K100-Y854 HydrophobicContact CG-CD2 4.39Å; K100-Y854 HydrophobicContact CG-CE2 4.4Å; Y845-Y854 CarbonylContact C-O 3.57Å; Y845-Y854 WeakPolarHBondContact CA-O 3.21Å; Y845-Y854 WeakPolarHBondContact CB-O 3.18Å; E846-Y854 HydrophobicContact CB-CD1 4.32Å; E846-Y854 HydrophobicContact CG-CD1 4.12Å; E846-Y854 PolarHBondContact N-O 2.65Å; E846-Y854 PolarHBondContact O-N 3.48Å
855	V	88.3	Confident	85.4	Confident	74 Å²	74	86.6 Å²	86.6	45%	0.448	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.6	175.5	-175.7	0	0	0	0	108.8	T843 K844 R857	T843-V855 HydrophobicContact CG2-CG1 3.82Å; K844-V855 CarbonylContact O-C 3.56Å; K844-V855 WeakPolarHBondContact O-CA 3.47Å; V855-R857 HydrophobicContact CG1-CG 4.08Å
856	S	88.3	Confident	85.5	Confident	35 Å²	35	86.4 Å²	86.4	25%	0.245	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.6	171.1	-176.7	0	0	0	0	109.1	T843 K844	T843-S856 CarbonylContact C-O 3.55Å; T843-S856 WeakPolarHBondContact CA-O 3.37Å; K844-S856 PolarHBondContact N-O 3.41Å; K844-S856 PolarHBondContact O-N 2.94Å
857	R	89.8	Confident	85.6	Confident	198 Å²	198	88.5 Å²	88.5	75%	0.747	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	134.1	177.3	-63.7	-175	179	168.4	-0.4	109.6	L842 T843 V855	L842-R857 CarbonylContact O-C 3.54Å; L842-R857 WeakPolarHBondContact O-CA 3.43Å; T843-R857 HydrophobicContact CG2-CG 3.95Å; V855-R857 HydrophobicContact CG1-CG 4.08Å
858	R	89.5	Confident	85.9	Confident	171 Å²	171	93 Å²	93	65%	0.645	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.3	168.6	-67.2	-173.6	-178.9	-174.6	-0.5	107.5	S841 L842	S841-R858 CarbonylContact C-O 3.57Å; S841-R858 WeakPolarHBondContact CA-O 3.49Å; L842-R858 PolarHBondContact N-O 3.41Å; L842-R858 PolarHBondContact O-N 2.88Å
859	G	87.6	Confident	86.3	Confident	68 Å²	68	92.7 Å²	92.7	70%	0.701	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.5	177.2	0	0	0	0	0	110.4	E840	E840-G859 CarbonylContact O-C 3.45Å; E840-G859 WeakPolarHBondContact O-CA 3.39Å
860	H	89.8	Confident	87.1	Confident	106 Å²	106	92 Å²	92	49%	0.491	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.9	166.1	-173.7	64.1	0	0	0	107.5	S839 E840	S839-H860 CarbonylContact C-O 3.43Å; S839-H860 WeakPolarHBondContact CA-O 3.41Å; E840-H860 PolarHBondContact N-O 3.36Å; E840-H860 PolarHBondContact O-N 2.82Å
861	K	91.7	Very high	88.2	Confident	175 Å²	175	87.7 Å²	87.7	76%	0.761	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.8	176.4	-73.3	-174.4	175.2	-168.1	0	107.5
862	Q	91.7	Very high	89	Confident	99 Å²	99	85.6 Å²	85.6	46%	0.463	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.2	177	-175.6	174.9	10.6	0	0	108.6	F838	F838-Q862 PolarHBondContact N-O 2.83Å; F838-Q862 PolarHBondContact O-N 2.83Å
863	L	91.4	Very high	89.8	Confident	114 Å²	114	82.2 Å²	82.2	60%	0.597	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.3	168.1	-161.9	74.2	0	0	0	107.7	T835 P837	T835-L863 HydrophobicContact CG2-CD1 3.99Å; T835-L863 HydrophobicContact CG2-CD2 3.43Å; T835-L863 VanDerWaalsContact CG2-CD2 3.43Å; T835-L863 HydrophobicContact CG2-CG 3.44Å; T835-L863 VanDerWaalsContact CG2-CG 3.44Å; P837-L863 HydrophobicContact CB-CD1 4.5Å
864	L	89.1	Confident	90	Very high	49 Å²	49	82.7 Å²	82.7	26%	0.257	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.5	177.3	-69.1	175.3	0	0	0	108.4	T835 F836 F838	T835-L864 WeakPolarHBondContact CA-O 3.49Å; T835-L864 WeakPolarHBondContact CG2-O 3.48Å; F836-L864 HydrophobicContact CD1-CB 4.37Å; F836-L864 HydrophobicContact CD2-CB 4.25Å; F836-L864 HydrophobicContact CD2-CD1 4.12Å; F836-L864 HydrophobicContact CE1-CB 4.07Å; F836-L864 HydrophobicContact CE2-CB 3.99Å; F836-L864 HydrophobicContact CE2-CD1 3.3Å; F836-L864 HydrophobicContact CE2-CG 4.19Å; F836-L864 HydrophobicContact CG-CB 4.44Å; F836-L864 HydrophobicContact CZ-CB 3.87Å; F836-L864 HydrophobicContact CZ-CD1 3.54Å; F836-L864 HydrophobicContact CZ-CG 4.35Å; F836-L864 PolarHBondContact N-O 3.45Å; F836-L864 VanDerWaalsContact N-O 3.1Å; F836-L864 PolarHBondContact O-N 3.38Å; F838-L864 HydrophobicContact CB-CD1 3.76Å; F838-L864 HydrophobicContact CB-CG 3.99Å; F838-L864 HydrophobicContact CG-CD1 4.19Å
865	P	90.5	Very high	90.2	Very high	93 Å²	93	81.6 Å²	81.6	60%	0.604	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-64.9	141.2	-174.2	26.9	-34.2	0	0	0	110.8	K833	K833-P865 VanDerWaalsContact CE-O 3.29Å; K833-P865 WeakPolarHBondContact CE-O 3.3Å; K833-P865 PolarHBondContact NZ-O 3.04Å
866	G	91.6	Very high	90.3	Very high	29 Å²	29	79.9 Å²	79.9	30%	0.299	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-64.9	159.3	169.2	0	0	0	0	0	111.7	K833 T835	K833-G866 CarbonylContact O-C 3.53Å; K833-G866 WeakPolarHBondContact O-CA 3.15Å; T835-G866 PolarHBondContact OG1-N 3.15Å
867	S	92.8	Very high	90.4	Very high	47 Å²	47	81.7 Å²	81.7	33%	0.329	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	141.5	-178.2	56.4	0	0	0	0	110.2	K833	K833-S867 WeakPolarHBondContact CB-O 3.33Å; K833-S867 WeakPolarHBondContact CE-OG 3.31Å; K833-S867 PolarHBondContact N-O 2.86Å; K833-S867 PolarHBondContact NZ-OG 3.39Å; K833-S867 VanDerWaalsContact NZ-OG 3.1Å; K833-S867 PolarHBondContact O-N 3.02Å
868	E	92.6	Very high	90.4	Very high	116 Å²	116	74.2 Å²	74.2	54%	0.542	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.4	162.9	-67.4	-170.9	163	0	0	110.4	Q830 M831 D832	Q830-E868 PolarHBondContact NE2-OE1 2.82Å; M831-E868 WeakPolarHBondContact O-CA 3.35Å; D832-E868 HydrophobicContact CB-CG 4.4Å
869	F	92.1	Very high	90.4	Very high	20 Å²	20	66.9 Å²	66.9	9%	0.088	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-90.3	124.6	171.8	-66.7	-65.7	0	0	0	109.9	M622 Y632 L812 M831 K833	M622-F869 HydrophobicContact CB-CE1 4.24Å; M622-F869 HydrophobicContact CB-CZ 4.07Å; M622-F869 HydrophobicContact CE-CD2 4.38Å; M622-F869 HydrophobicContact CE-CE2 3.6Å; M622-F869 HydrophobicContact CE-CZ 3.94Å; M622-F869 HydrophobicContact CG-CZ 4.28Å; Y632-F869 HydrophobicContact CE1-CB 4.01Å; Y632-F869 HydrophobicContact CE1-CD1 4.02Å; Y632-F869 HydrophobicContact CE1-CG 4.12Å; Y632-F869 HydrophobicContact CE2-CB 4.4Å; L812-F869 HydrophobicContact CD1-CD2 4.14Å; L812-F869 HydrophobicContact CD1-CE2 3.93Å; M831-F869 HydrophobicContact CB-CB 4.29Å; M831-F869 HydrophobicContact CE-CB 4.42Å; M831-F869 HydrophobicContact CG-CB 4.44Å; M831-F869 HydrophobicContact CG-CD2 4.08Å; M831-F869 PolarHBondContact O-N 2.87Å; M831-F869 HydrophobicContact SD-CB 4.07Å; M831-F869 HydrophobicContact SD-CD2 3.84Å; M831-F869 HydrophobicContact SD-CG 4.32Å; K833-F869 HydrophobicContact CB-CD2 4.4Å; K833-F869 HydrophobicContact CB-CE2 3.7Å; K833-F869 HydrophobicContact CB-CZ 4.28Å; K833-F869 HydrophobicContact CD-CE2 4.14Å; K833-F869 HydrophobicContact CD-CZ 3.93Å; K833-F869 HydrophobicContact CG-CE2 4.27Å
870	P	92.1	Very high	90.6	Very high	81 Å²	81	70.3 Å²	70.3	53%	0.526	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-66.1	139.6	-179.1	28.1	-34.6	0	0	0	110.4	F618 Y632	F618-P870 WeakPolarHBondContact CE1-O 3.49Å; Y632-P870 PolarHBondContact OH-O 3.25Å
871	L	91	Very high	90.6	Very high	8 Å²	8	73.7 Å²	73.7	4%	0.042	37%	0.373	C	S	.	.			trans	-97.2	-160.2	168.3	-61.1	177.7	0	0	0	109.2	Y632 L634 M829 M831 N875	Y632-L871 HydrophobicContact CE2-CD2 4.28Å; L634-L871 HydrophobicContact CB-CD2 4.4Å; L634-L871 HydrophobicContact CD2-CD1 3.79Å; L634-L871 HydrophobicContact CD2-CD2 3.67Å; L634-L871 HydrophobicContact CD2-CG 4.35Å; M829-L871 HydrophobicContact CB-CD1 3.48Å; M829-L871 VanDerWaalsContact CB-CD1 3.48Å; M829-L871 HydrophobicContact CE-CD1 4.42Å; M831-L871 HydrophobicContact CE-CD2 3.7Å; L871-N875 HydrophobicContact CB-CB 4.27Å
872	H	87.6	Confident	90.3	Very high	23 Å²	23	66.6 Å²	66.6	11%	0.106	34%	0.344	C	S	.	.			trans	-62.9	149.4	173.2	63.6	-78.1	0	0	0	111.6	S616 F618 E874 N875 S876	S616-H872 WeakPolarHBondContact CB-CE1 3.41Å; S616-H872 WeakPolarHBondContact CB-ND1 3.31Å; S616-H872 PolarHBondContact OG-CE1 3.17Å; S616-H872 PolarHBondContact OG-ND1 3.09Å; F618-H872 HydrophobicContact CB-CB 4.18Å; F618-H872 HydrophobicContact CD2-CB 4.27Å; F618-H872 HydrophobicContact CG-CB 4.45Å; H872-E874 PolarHBondContact O-N 2.86Å; H872-E874 VanDerWaalsContact O-N 3.12Å; H872-N875 PolarHBondContact CD2-N 3.26Å; H872-N875 VanDerWaalsContact CE1-CB 3.47Å; H872-N875 WeakPolarHBondContact CE1-CB 3.37Å; H872-N875 PolarHBondContact NE2-N 3.29Å; H872-N875 WeakPolarHBondContact O-CB 3.48Å; H872-N875 PolarHBondContact O-N 3.22Å; H872-S876 PolarHBondContact O-N 2.87Å
873	Q	88.8	Confident	90	Very high	126 Å²	126	67.6 Å²	67.6	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-57.1	-32.8	-173.1	-176.5	60.2	48.8	0	0	114.2	N875 S876 N877	Q873-N875 VanDerWaalsContact C-N 3.34Å; Q873-S876 WeakPolarHBondContact O-CB 3.41Å; Q873-S876 PolarHBondContact O-N 3.4Å; Q873-N877 PolarHBondContact NE2-OD1 3Å; Q873-N877 VanDerWaalsContact NE2-OD1 3.12Å; Q873-N877 VanDerWaalsContact O-CG 3.29Å; Q873-N877 PolarHBondContact O-N 3.24Å; Q873-N877 PolarHBondContact O-OD1 3.16Å
874	E	87.3	Confident	89.6	Confident	74 Å²	74	67 Å²	67	35%	0.346	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-36.7	-179.9	-57.4	167.7	172.5	0	0	111.4	K574 H872 S876 N877 M878	K574-E874 WeakPolarHBondContact CE-OE2 3.34Å; K574-E874 IonicContact NZ-OE1 2.69Å; K574-E874 PolarHBondContact NZ-OE1 2.96Å; K574-E874 IonicContact NZ-OE2 2.66Å; K574-E874 PolarHBondContact NZ-OE2 2.99Å; H872-E874 PolarHBondContact O-N 2.86Å; H872-E874 VanDerWaalsContact O-N 3.12Å; E874-S876 PolarHBondContact O-N 3.01Å; E874-N877 WeakPolarHBondContact O-CB 3.46Å; E874-N877 PolarHBondContact O-N 2.91Å; E874-N877 VanDerWaalsContact O-N 3.13Å; E874-M878 WeakPolarHBondContact O-CG 3.43Å; E874-M878 PolarHBondContact O-N 3.43Å
875	N	90.4	Very high	88	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.037	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-45	170.4	177.4	79.7	0	0	0	111.5	M829 L871 H872 Q873 N877 M878 C879	M829-N875 WeakPolarHBondContact CB-OD1 3.28Å; M829-N875 HydrophobicContact CE-CB 4.35Å; M829-N875 WeakPolarHBondContact CE-OD1 3.32Å; M829-N875 PolarHBondContact N-OD1 3.39Å; M829-N875 PolarHBondContact O-ND2 3.41Å; L871-N875 HydrophobicContact CB-CB 4.27Å; H872-N875 PolarHBondContact CD2-N 3.26Å; H872-N875 VanDerWaalsContact CE1-CB 3.47Å; H872-N875 WeakPolarHBondContact CE1-CB 3.37Å; H872-N875 PolarHBondContact NE2-N 3.29Å; H872-N875 WeakPolarHBondContact O-CB 3.48Å; H872-N875 PolarHBondContact O-N 3.22Å; Q873-N875 VanDerWaalsContact C-N 3.34Å; N875-N877 PolarHBondContact O-N 2.84Å; N875-M878 PolarHBondContact O-N 3.48Å; N875-M878 VanDerWaalsContact O-N 3.11Å; N875-C879 WeakPolarHBondContact O-CB 3.32Å; N875-C879 PolarHBondContact O-N 3.44Å; N875-C879 PolarHBondContact O-SG 3.09Å; N875-C879 VanDerWaalsContact O-SG 3.35Å
876	S	90.9	Very high	85.9	Confident	38 Å²	38	72 Å²	72	27%	0.266	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-35.3	176	-57.2	0	0	0	0	112.3	H872 Q873 E874 K880	H872-S876 PolarHBondContact O-N 2.87Å; Q873-S876 WeakPolarHBondContact O-CB 3.41Å; Q873-S876 PolarHBondContact O-N 3.4Å; E874-S876 PolarHBondContact O-N 3.01Å; S876-K880 WeakPolarHBondContact O-CG 3.32Å; S876-K880 PolarHBondContact O-N 3.05Å; S876-K880 VanDerWaalsContact O-N 3.11Å
877	N	90.7	Very high	83.5	Confident	74 Å²	74	84 Å²	84	40%	0.396	41%	0.412	S	S	.	.	H	α-helix	trans	-70	-36.7	175.6	-62.6	-17.4	0	0	0	112	Q873 E874 N875	Q873-N877 PolarHBondContact NE2-OD1 3Å; Q873-N877 VanDerWaalsContact NE2-OD1 3.12Å; Q873-N877 VanDerWaalsContact O-CG 3.29Å; Q873-N877 PolarHBondContact O-N 3.24Å; Q873-N877 PolarHBondContact O-OD1 3.16Å; E874-N877 WeakPolarHBondContact O-CB 3.46Å; E874-N877 PolarHBondContact O-N 2.91Å; E874-N877 VanDerWaalsContact O-N 3.13Å; N875-N877 PolarHBondContact O-N 2.84Å
878	M	88.8	Confident	83.1	Confident	41 Å²	41	85.9 Å²	85.9	20%	0.202	42%	0.416	C	S	.	.	H	α-helix	trans	-68.3	-45.3	174.1	-68	-178.1	-175.8	0	0	111.4	V827 E874 N875 K880 R881 V882	V827-M878 HydrophobicContact CB-SD 4.4Å; V827-M878 WeakPolarHBondContact O-CB 3.08Å; E874-M878 WeakPolarHBondContact O-CG 3.43Å; E874-M878 PolarHBondContact O-N 3.43Å; N875-M878 PolarHBondContact O-N 3.48Å; N875-M878 VanDerWaalsContact O-N 3.11Å; M878-K880 VanDerWaalsContact C-N 3.27Å; M878-K880 PolarHBondContact O-N 3.24Å; M878-R881 WeakPolarHBondContact O-CB 3.41Å; M878-R881 PolarHBondContact O-N 3.36Å; M878-V882 PolarHBondContact O-N 3.45Å
879	C	91	Very high	82.6	Confident	17 Å²	17	84.3 Å²	84.3	12%	0.115	41%	0.41	C	S	.	.	H	α-helix	trans	-58.5	-37.5	176.1	-70.3	0	0	0	0	112.7	C828 N875 R881 V882 F883	C828-C879 WeakPolarHBondContact CA-SG 3.32Å; C828-C879 HydrophobicContact CB-CB 3.94Å; C828-C879 WeakPolarHBondContact CB-SG 3.26Å; C828-C879 WeakPolarHBondContact SG-CA 3.43Å; C828-C879 WeakPolarHBondContact SG-CB 3.49Å; C828-C879 CovalentContact SG-SG 2.04Å; C828-C879 PolarHBondContact SG-SG 3.13Å; N875-C879 WeakPolarHBondContact O-CB 3.32Å; N875-C879 PolarHBondContact O-N 3.44Å; N875-C879 PolarHBondContact O-SG 3.09Å; N875-C879 VanDerWaalsContact O-SG 3.35Å; C879-R881 PolarHBondContact O-N 2.79Å; C879-V882 PolarHBondContact O-N 3.17Å; C879-F883 HydrophobicContact CB-CD2 4.26Å; C879-F883 HydrophobicContact CB-CE2 4.32Å; C879-F883 WeakPolarHBondContact O-CD2 3.31Å; C879-F883 PolarHBondContact O-N 3.39Å
880	K	91.8	Very high	82	Confident	140 Å²	140	87.9 Å²	87.9	61%	0.609	43%	0.427	S	S	*	.	H	α-helix	trans	-58.5	-35.8	173.5	-78	175.1	-178.3	-178.2	0	113.1	S876 M878 D884	S876-K880 WeakPolarHBondContact O-CG 3.32Å; S876-K880 PolarHBondContact O-N 3.05Å; S876-K880 VanDerWaalsContact O-N 3.11Å; M878-K880 VanDerWaalsContact C-N 3.27Å; M878-K880 PolarHBondContact O-N 3.24Å; K880-D884 WeakPolarHBondContact O-CB 3.45Å; K880-D884 PolarHBondContact O-N 3.2Å; K880-D884 VanDerWaalsContact O-N 3.15Å
881	R	88.8	Confident	81.5	Confident	177 Å²	177	88.3 Å²	88.3	67%	0.668	42%	0.422	S	S	*	.	H	α-helix	trans	-76.2	-40.1	177.3	-64.7	-179.3	179.4	-174.4	-2	112	L826 M878 C879 F883 D884	L826-R881 HydrophobicContact CD2-CB 4.42Å; M878-R881 WeakPolarHBondContact O-CB 3.41Å; M878-R881 PolarHBondContact O-N 3.36Å; C879-R881 PolarHBondContact O-N 2.79Å; R881-F883 VanDerWaalsContact C-N 3.28Å; R881-F883 PolarHBondContact O-N 2.93Å; R881-D884 PolarHBondContact O-N 3.47Å
882	V	85.5	Confident	80.9	Confident	25 Å²	25	93.3 Å²	93.3	15%	0.152	45%	0.445	C	S	.	.	H	α-helix	trans	-64.8	-34.3	178.3	173	0	0	0	0	111.6	T817 L826 C828 M878 C879	T817-V882 HydrophobicContact CG2-CG1 4.03Å; L826-V882 HydrophobicContact CB-CG2 4.27Å; C828-V882 HydrophobicContact CB-CB 4.14Å; C828-V882 HydrophobicContact CB-CG1 4.32Å; C828-V882 HydrophobicContact CB-CG2 3.93Å; M878-V882 PolarHBondContact O-N 3.45Å; C879-V882 PolarHBondContact O-N 3.17Å
883	F	85.4	Confident	80.4	Confident	120 Å²	120	98 Å²	98	53%	0.526	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	11.6	179.5	-61.2	-57	0	0	0	114	C828 C879 R881	C828-F883 VanDerWaalsContact SG-CE2 3.57Å; C879-F883 HydrophobicContact CB-CD2 4.26Å; C879-F883 HydrophobicContact CB-CE2 4.32Å; C879-F883 WeakPolarHBondContact O-CD2 3.31Å; C879-F883 PolarHBondContact O-N 3.39Å; R881-F883 VanDerWaalsContact C-N 3.28Å; R881-F883 PolarHBondContact O-N 2.93Å
884	D	83.1	Confident	79.8	Confident	101 Å²	101	96 Å²	96	54%	0.54	46%	0.459	S	S	.	.			trans	-70.9	132.2	174.6	-146.7	-18.9	0	0	0	109.1	K880 R881 D886	K880-D884 WeakPolarHBondContact O-CB 3.45Å; K880-D884 PolarHBondContact O-N 3.2Å; K880-D884 VanDerWaalsContact O-N 3.15Å; R881-D884 PolarHBondContact O-N 3.47Å; D884-D886 VanDerWaalsContact C-N 3.29Å; D884-D886 PolarHBondContact O-N 3.44Å
885	S	55.2	Low	79.2	Confident	109 Å²	109	97.7 Å²	97.7	76%	0.762	47%	0.468	S	S	*	.	S	Bend	trans	-82.1	-5	-173.9	53.2	0	0	0	0	114.1
886	D	47	Very low	78.3	Confident	140 Å²	140	105.3 Å²	105.3	75%	0.749	50%	0.504	S	S	*	.			trans	-102.7	33.4	-172.2	-74.5	-13.9	0	0	0	113.8	D884	D884-D886 VanDerWaalsContact C-N 3.29Å; D884-D886 PolarHBondContact O-N 3.44Å
887	W	41.7	Very low	77.2	Confident	281 Å²	281	111.4 Å²	111.4	100%	1.064	53%	0.526	S	S	*	.			trans	-122.6	0	170.7	-111.3	22.9	0	0	0	113.5

Retrieved 887 of 887 residues in 5569.1 ms (Link to these results)

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