A0A5K4FBG1_SCHMA Loading...

Sema domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,233 aa.

						>A0A5K4FBG1_SCHMA|A0A5K4FBG1
MFRLYLVLLNVTFVITGLVPSRYKGDLRSTEYYDSGKIMFVENSNIFFSFMNIIYMNNLCDSRQSFKVMEWETSYSTFRITSAFKMPTPFSGDNCTGHQINIYFVCGTNQIHRYTLIQSNVLHFEELGMICSFWREEESTSKYQPNTWIQLNNLPYNKQTIHPGLIAASRLALFSHYVSSTDVKTGYSLVAANVQHEMAPDLIGPQIYAFGPKDQLSDAFKKSEKLQQNGCYYHNDITSKRKLAEQKNQFFDGWRSNSYSKLWFGENVQFLSISSVNSKYFYIIFTEQDISAPYTAYEGSLSNIGSTITRIGRVCQHDPGSKLSASVLPNGGGVFTTFRKTQLVCRAYSSESIHQEETNHYQSYDKFNGQGNTKKGYFNEQKITNEKSYLEFNRAIAVSEIVPTGDMTDHVFYALMTTIDSISGLYALCAFNLNSVDENLNTDHLIKLKQSNNAYNGLSRMVWRDNNNNNNNKTNSSSTHYSYYKHTSKWTVDVVSPSQMTKEIMRTSKTCPSKSLPDYYSQFATLHPLVGTSVWALNMINALDNQTTTTNKHITLMKQPGKALKVFTMNDLNNETIISKETPIDFTVHWANSVQDNNETDIIYIVTNKNTIYTIETGIKLKQQIVYNQNFKFELNSNRLSTINYFIKTNQNQKFQIMDQFTIIDNNYYIIQSIHKCDISSMLTMNMKFIHPIKKIKNSINANQFNEKLLLKQNKMIHFNPNKIICTTYFLCKNCQLTNKHFCKWNYDNHSCLLNDSSYSQLKLMDSNLYHFCNDHDHEVYVNQLKRYDLLRSFSNESNSNNNILSKKQITKVKYANDELNLVIIRESTPSVINTKTIKYNKHTNNRSHSHHNETDFNYKSLYNHIFNGILILSILIICIPFSMICGYLIGNKNYLKQYAVYNKVKRLLHQHHHQQQHQPNYYRTSSASSFSLFTFHNRYNPYIDLSNDQLEMFHSNCNIHHYHQNYCQCSQKRSQKSINGKNECTYGKNNKGDLMNSQYHCNNMNTTANNNNNNNETVKFLRNSLEKPNTTMHGCFYHHYYNDDQPNETSNEIISNEYSLTPNQQSSTRTTNNIHLYYTTDQHINSIDNCIKSRHIKVNPLIAVNVISENLPHNNRFIPNSTIISSLASTTCLSSLQTSTTTKTTPIAVTMNMFASTTTTTQFTSVSCCTPIQSSRLFQQQFQSSIGFKSPNNYLATNNNNNSDQYYYTYVTMKSSGTAIQHNNNNTFEICE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	42.4	Very low	50.3	Low	200 Å²	200	131.5 Å²	131.5	99%	0.985	64%	0.635	S	S	*	*				0	-59.8	0	-72.8	-62.9	-99.3	0	0	112.6	R3 L4 Y5	M1-R3 PolarHBondContact O-N 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-Y5 PolarHBondContact O-N 3.34Å; M1-Y5 VanDerWaalsContact O-N 3.1Å
2	F	46.5	Very low	49.7	Very low	174 Å²	174	128 Å²	128	76%	0.763	63%	0.628	S	S	*	*	H	α-helix	trans	-60.6	-37.6	-177.1	-134.1	-93.5	0	0	0	114.7	Y5 L6	F2-Y5 PolarHBondContact O-N 3.4Å; F2-L6 PolarHBondContact O-N 3.44Å
3	R	49.2	Very low	48.8	Very low	222 Å²	222	129.5 Å²	129.5	84%	0.838	63%	0.629	S	S	*	*	H	α-helix	trans	-68.2	-31.7	172.9	-82.8	-174.4	175.4	179.1	-1.3	113.7	M1 Y5 V7	M1-R3 PolarHBondContact O-N 3.31Å; R3-Y5 VanDerWaalsContact C-N 3.35Å; R3-V7 WeakPolarHBondContact O-CG2 3.42Å; R3-V7 PolarHBondContact O-N 3.27Å
4	L	53.3	Low	48.3	Very low	118 Å²	118	128.9 Å²	128.9	62%	0.618	64%	0.637	S	S	*	*	H	α-helix	trans	-71.7	-34.9	177.6	-142.2	97.7	0	0	0	110.8	M1 V7 L8	M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.3Å; L4-V7 PolarHBondContact O-N 3.2Å; L4-L8 HydrophobicContact CD2-CD1 4.44Å; L4-L8 PolarHBondContact O-N 3.44Å; L4-L8 VanDerWaalsContact O-N 3.08Å
5	Y	55.6	Low	47.5	Very low	164 Å²	164	129.8 Å²	129.8	64%	0.643	64%	0.643	S	S	*	*	H	α-helix	trans	-66.3	-40.6	176.4	-160.8	-98.9	0	0	0	112.1	M1 F2 R3 L8 L9	M1-Y5 PolarHBondContact O-N 3.34Å; M1-Y5 VanDerWaalsContact O-N 3.1Å; F2-Y5 PolarHBondContact O-N 3.4Å; R3-Y5 VanDerWaalsContact C-N 3.35Å; Y5-L8 PolarHBondContact O-N 3.05Å; Y5-L9 HydrophobicContact CD1-CD1 3.62Å; Y5-L9 HydrophobicContact CE1-CD1 3.23Å; Y5-L9 PolarHBondContact O-N 3.45Å
6	L	55.3	Low	46.6	Very low	101 Å²	101	128.9 Å²	128.9	53%	0.529	65%	0.647	S	S	.	*	H	α-helix	trans	-66.5	-36.7	175.9	-89.3	158.8	0	0	0	113.1	F2 N10	F2-L6 PolarHBondContact O-N 3.44Å; L6-N10 PolarHBondContact O-N 3.23Å
7	V	60.2	Low	45.5	Very low	94 Å²	94	125.3 Å²	125.3	57%	0.57	65%	0.65	S	S	*	*	H	α-helix	trans	-70.1	-40.7	176.7	175.4	0	0	0	0	111	R3 L4 L9 N10 V11	R3-V7 WeakPolarHBondContact O-CG2 3.42Å; R3-V7 PolarHBondContact O-N 3.27Å; L4-V7 PolarHBondContact O-N 3.2Å; V7-L9 PolarHBondContact O-N 3.34Å; V7-N10 PolarHBondContact O-N 3.44Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.39Å
8	L	49.3	Very low	44.5	Very low	108 Å²	108	127.4 Å²	127.4	57%	0.565	66%	0.662	S	S	*	*	H	α-helix	trans	-66.6	-34.6	175.4	-90	152.6	0	0	0	112.9	L4 Y5 V11 T12	L4-L8 HydrophobicContact CD2-CD1 4.44Å; L4-L8 PolarHBondContact O-N 3.44Å; L4-L8 VanDerWaalsContact O-N 3.08Å; Y5-L8 PolarHBondContact O-N 3.05Å; L8-V11 PolarHBondContact O-N 3.34Å; L8-T12 PolarHBondContact O-N 3.22Å; L8-T12 VanDerWaalsContact O-N 3.1Å; L8-T12 PolarHBondContact O-OG1 2.98Å
9	L	48.9	Very low	43.7	Very low	68 Å²	68	127.6 Å²	127.6	36%	0.356	67%	0.668	S	S	.	*	H	α-helix	trans	-67.5	-40.6	173	-114.5	120.3	0	0	0	111.9	Y5 V7 V11 T12 F13	Y5-L9 HydrophobicContact CD1-CD1 3.62Å; Y5-L9 HydrophobicContact CE1-CD1 3.23Å; Y5-L9 PolarHBondContact O-N 3.45Å; V7-L9 PolarHBondContact O-N 3.34Å; L9-V11 PolarHBondContact O-N 3.28Å; L9-T12 WeakPolarHBondContact CA-OG1 3.49Å; L9-T12 PolarHBondContact O-N 3.47Å; L9-T12 PolarHBondContact O-OG1 3.18Å; L9-F13 HydrophobicContact CD2-CD2 4.03Å; L9-F13 HydrophobicContact CD2-CE2 3.75Å; L9-F13 WeakPolarHBondContact O-CD2 3.32Å; L9-F13 PolarHBondContact O-N 3.43Å
10	N	46.1	Very low	42.9	Very low	111 Å²	111	126.7 Å²	126.7	59%	0.594	67%	0.67	S	S	*	*	H	α-helix	trans	-67.7	-34.5	176.2	-91.3	-24.2	0	0	0	112.7	L6 V7 V14	L6-N10 PolarHBondContact O-N 3.23Å; V7-N10 PolarHBondContact O-N 3.44Å; N10-V14 WeakPolarHBondContact O-CG2 3.36Å; N10-V14 PolarHBondContact O-N 3.24Å
11	V	46.9	Very low	42	Very low	87 Å²	87	126.5 Å²	126.5	53%	0.527	68%	0.68	S	S	.	*	H	α-helix	trans	-71.7	-31.4	176.7	176.1	0	0	0	0	111.9	V7 L8 L9	V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.39Å; L8-V11 PolarHBondContact O-N 3.34Å; L9-V11 PolarHBondContact O-N 3.28Å
12	T	42.7	Very low	41.3	Very low	89 Å²	89	125.7 Å²	125.7	55%	0.546	67%	0.666	S	S	.	*	H	α-helix	trans	-78.1	-30.3	175.8	37	0	0	0	0	113.2	L8 L9 V14	L8-T12 PolarHBondContact O-N 3.22Å; L8-T12 VanDerWaalsContact O-N 3.1Å; L8-T12 PolarHBondContact O-OG1 2.98Å; L9-T12 WeakPolarHBondContact CA-OG1 3.49Å; L9-T12 PolarHBondContact O-N 3.47Å; L9-T12 PolarHBondContact O-OG1 3.18Å; T12-V14 VanDerWaalsContact C-N 3.34Å; T12-V14 PolarHBondContact O-N 3.41Å
13	F	38.6	Very low	40.2	Very low	147 Å²	147	128.8 Å²	128.8	65%	0.645	67%	0.674	S	S	*	*	H	α-helix	trans	-72.7	-22.1	175.3	-94.7	-82.7	0	0	0	114.2	L9	L9-F13 HydrophobicContact CD2-CD2 4.03Å; L9-F13 HydrophobicContact CD2-CE2 3.75Å; L9-F13 WeakPolarHBondContact O-CD2 3.32Å; L9-F13 PolarHBondContact O-N 3.43Å
14	V	41.8	Very low	39	Very low	122 Å²	122	127.7 Å²	127.7	74%	0.739	68%	0.675	S	S	*	*	H	α-helix	trans	-77.6	-18.7	178.5	174.2	0	0	0	0	113.2	N10 T12	N10-V14 WeakPolarHBondContact O-CG2 3.36Å; N10-V14 PolarHBondContact O-N 3.24Å; T12-V14 VanDerWaalsContact C-N 3.34Å; T12-V14 PolarHBondContact O-N 3.41Å
15	I	36.2	Very low	37.7	Very low	142 Å²	142	124.8 Å²	124.8	73%	0.728	67%	0.673	S	S	*	*	S	Bend	trans	-94.7	-4.9	-175.7	-60.8	179.2	0	0	0	113.6
16	T	32.9	Very low	36.2	Very low	115 Å²	115	124.2 Å²	124.2	71%	0.706	68%	0.681	S	S	*	*			trans	-114.3	46.1	-179.8	52	0	0	0	0	113.2
17	G	27.6	Very low	34.8	Very low	68 Å²	68	125.7 Å²	125.7	70%	0.701	69%	0.689	S	S	*	*			trans	-102.3	55.6	171.4	0	0	0	0	0	113
18	L	28.1	Very low	33.1	Very low	164 Å²	164	131.9 Å²	131.9	86%	0.859	70%	0.703	S	S	*	*			trans	-163.9	106.9	170.1	-93.8	169.4	0	0	0	107.6
19	V	28.1	Very low	32.2	Very low	130 Å²	130	132.3 Å²	132.3	79%	0.788	71%	0.714	S	S	*	*			trans	-176.7	125.1	139.3	165.5	0	0	0	0	109
20	P	28.8	Very low	31.1	Very low	109 Å²	109	134.6 Å²	134.6	71%	0.708	73%	0.732	S	S	*	*			trans	-75.7	151.5	176.4	30.9	-32.8	0	0	0	112.6	R22	P20-R22 PolarHBondContact O-N 3.49Å
21	S	24.4	Very low	30.2	Very low	124 Å²	124	137.6 Å²	137.6	87%	0.867	74%	0.742	S	S	*	*			trans	-32.1	88.6	173.5	43.6	0	0	0	0	115.4
22	R	26.5	Very low	29.5	Very low	182 Å²	182	143.1 Å²	143.1	69%	0.687	76%	0.755	S	S	*	*			trans	-84.8	117.2	158.7	-82.2	-177	176.9	-164.1	-9.5	108.9	P20 K24 E707	P20-R22 PolarHBondContact O-N 3.49Å; R22-K24 PolarHBondContact O-N 3.46Å; R22-K24 VanDerWaalsContact O-N 3.1Å; R22-E707 IonicContact CZ-OE1 3.2Å; R22-E707 IonicContact NH1-OE1 3.69Å; R22-E707 IonicContact NH2-OE1 3.89Å; R22-E707 PolarHBondContact NH2-OE1 3.48Å
23	Y	23.8	Very low	29	Very low	239 Å²	239	145.6 Å²	145.6	94%	0.937	76%	0.755	S	S	*	*			trans	-38	110.2	165.7	-114.9	-103.9	0	0	0	110.7	G25	Y23-G25 VanDerWaalsContact C-N 3.25Å; Y23-G25 PolarHBondContact O-N 3.24Å
24	K	24	Very low	29.4	Very low	200 Å²	200	142.6 Å²	142.6	87%	0.87	75%	0.746	S	S	*	*			trans	-78.8	75.9	170.5	-81.6	-178.6	173.2	178.5	0	109	R22	R22-K24 PolarHBondContact O-N 3.46Å; R22-K24 VanDerWaalsContact O-N 3.1Å
25	G	25.7	Very low	30	Very low	56 Å²	56	139.1 Å²	139.1	58%	0.577	73%	0.727	S	S	*	*			trans	-84.7	109.1	152.9	0	0	0	0	0	107	Y23 L27	Y23-G25 VanDerWaalsContact C-N 3.25Å; Y23-G25 PolarHBondContact O-N 3.24Å; G25-L27 PolarHBondContact O-N 3.3Å; G25-L27 VanDerWaalsContact O-N 3.07Å
26	D	25.2	Very low	31.3	Very low	152 Å²	152	132.9 Å²	132.9	81%	0.813	70%	0.698	S	S	*	*			trans	-50.1	114.1	-179.2	-81.8	-37	0	0	0	111.6	R28	D26-R28 PolarHBondContact O-N 3.48Å
27	L	25.4	Very low	33.3	Very low	133 Å²	133	129.3 Å²	129.3	70%	0.696	67%	0.672	S	S	*	*			trans	-60.9	97.6	173.7	-97.6	95.1	0	0	0	109.9	G25 S29	G25-L27 PolarHBondContact O-N 3.3Å; G25-L27 VanDerWaalsContact O-N 3.07Å; L27-S29 PolarHBondContact O-N 3.43Å
28	R	24.9	Very low	35.6	Very low	224 Å²	224	128.4 Å²	128.4	85%	0.845	65%	0.651	S	S	*	*			trans	-82.8	107.2	157	-76.2	-172.3	177.3	-174.5	0.2	108.6	D26 T30	D26-R28 PolarHBondContact O-N 3.48Å; R28-T30 PolarHBondContact O-N 3.32Å; R28-T30 VanDerWaalsContact O-N 3.09Å
29	S	30	Very low	38.1	Very low	116 Å²	116	120.9 Å²	120.9	81%	0.811	61%	0.611	S	S	*	*			trans	-75.7	87	171.8	47	0	0	0	0	109.7	L27	L27-S29 PolarHBondContact O-N 3.43Å
30	T	25.6	Very low	40.7	Very low	117 Å²	117	116.1 Å²	116.1	72%	0.718	58%	0.58	S	S	*	*			trans	-136.8	102.7	165.5	46.6	0	0	0	0	109	R28	R28-T30 PolarHBondContact O-N 3.32Å; R28-T30 VanDerWaalsContact O-N 3.09Å
31	E	27.9	Very low	43	Very low	174 Å²	174	114.2 Å²	114.2	81%	0.813	57%	0.566	S	S	*	*	S	Bend	trans	2.1	135.9	153.9	-58.8	177.6	160.2	0	0	117.7
32	Y	31	Very low	45.5	Very low	202 Å²	202	110 Å²	110	79%	0.792	53%	0.533	S	S	*	.			trans	92	74.8	-175.1	-73.4	-94.1	0	0	0	116.1	D34	Y32-D34 PolarHBondContact O-N 3.23Å
33	Y	33.7	Very low	47.7	Very low	142 Å²	142	107.3 Å²	107.3	56%	0.557	53%	0.532	S	S	*	.			trans	-77.7	96.8	151.9	-67.4	-74.9	0	0	0	107.5	S35 L709	Y33-S35 PolarHBondContact O-N 3.31Å; Y33-L709 HydrophobicContact CD2-CD2 4.33Å
34	D	45.2	Very low	50.3	Low	84 Å²	84	96.3 Å²	96.3	45%	0.449	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-62.2	128.8	177.8	-93.1	-21.1	0	0	0	110.5	Y32 R79	Y32-D34 PolarHBondContact O-N 3.23Å; D34-R79 IonicContact OD2-NH1 3.64Å; D34-R79 PolarHBondContact OD2-NH1 3.29Å
35	S	54.7	Low	53.1	Low	49 Å²	49	88.4 Å²	88.4	34%	0.343	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-60.5	147.2	174.6	56.4	0	0	0	0	111.3	Y33 N714	Y33-S35 PolarHBondContact O-N 3.31Å; S35-N714 WeakPolarHBondContact CB-ND2 3.42Å; S35-N714 WeakPolarHBondContact CB-OD1 3.25Å; S35-N714 PolarHBondContact OG-ND2 3.49Å
36	G	64.3	Low	55.8	Low	11 Å²	11	85.8 Å²	85.8	11%	0.113	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-52	144.3	175.3	0	0	0	0	0	113.1	S49 N714	G36-S49 CarbonylContact C-O 3.56Å; G36-S49 WeakPolarHBondContact CA-O 3.45Å; G36-N714 PolarHBondContact O-ND2 3Å
37	K	74.3	Confident	58.7	Low	40 Å²	40	79.1 Å²	79.1	17%	0.174	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.5	-172.8	-178.9	177.1	-174.4	175.6	0	110.3	M39 F48 S49 A172 L173 F174	K37-M39 HydrophobicContact CG-SD 4.43Å; K37-M39 PolarHBondContact O-N 3.35Å; K37-F48 CarbonylContact O-C 3.44Å; K37-F48 WeakPolarHBondContact O-CA 3.34Å; K37-F48 WeakPolarHBondContact O-CB 3.47Å; K37-S49 PolarHBondContact N-O 2.83Å; K37-S49 PolarHBondContact O-N 3.12Å; K37-A172 PolarHBondContact NZ-O 3.26Å; K37-L173 PolarHBondContact NZ-O 3.13Å; K37-F174 WeakPolarHBondContact CE-O 3.22Å; K37-F174 PolarHBondContact NZ-O 3.21Å
38	I	75.7	Confident	61.5	Low	49 Å²	49	74.4 Å²	74.4	25%	0.251	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129	170.3	-64.2	170.1	0	0	0	108.3	I46 N686	I38-I46 HydrophobicContact CD1-CD1 3.86Å; I38-I46 HydrophobicContact CG1-CD1 4.04Å; I38-I46 HydrophobicContact CG2-CD1 4.12Å; I38-I46 HydrophobicContact CG2-CG1 4.16Å; I38-N686 HydrophobicContact CD1-CB 4.28Å; I38-N686 WeakPolarHBondContact CD1-ND2 3.27Å
39	M	82	Confident	64.4	Low	5 Å²	5	64 Å²	64	3%	0.025	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-59.1	-179.1	-55.7	-61.7	-72.7	0	0	109.7	K37 F47 S49 I80 A83 Y177	K37-M39 HydrophobicContact CG-SD 4.43Å; K37-M39 PolarHBondContact O-N 3.35Å; M39-F47 HydrophobicContact CB-CB 4.36Å; M39-F47 WeakPolarHBondContact CB-O 3.33Å; M39-F47 PolarHBondContact N-O 2.98Å; M39-S49 PolarHBondContact SD-OG 3.01Å; M39-I80 HydrophobicContact CE-CG2 3.95Å; M39-A83 HydrophobicContact CE-CB 3.6Å; M39-Y177 PolarHBondContact O-OH 2.78Å
40	F	81.8	Confident	67	Low	30 Å²	30	60.3 Å²	60.3	13%	0.132	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	167.8	177.7	59.2	-87.2	0	0	0	110	E42 F47 A83 Y103 W148	F40-E42 HydrophobicContact CD2-CB 4.12Å; F40-E42 HydrophobicContact CE2-CB 4.13Å; F40-F47 HydrophobicContact CD1-CB 4.31Å; F40-F47 AromaticContact CD2-CD2 3.76Å; F40-F47 HydrophobicContact CD2-CD2 3.76Å; F40-F47 HydrophobicContact CD2-CE2 4.34Å; F40-F47 HydrophobicContact CD2-CG 4.43Å; F40-F47 HydrophobicContact CE1-CB 4.02Å; F40-F47 HydrophobicContact CE1-CD2 4.38Å; F40-F47 HydrophobicContact CE1-CG 4.16Å; F40-F47 HydrophobicContact CE2-CB 4.35Å; F40-F47 AromaticContact CE2-CD2 3.25Å; F40-F47 HydrophobicContact CE2-CD2 3.25Å; F40-F47 AromaticContact CE2-CE2 3.56Å; F40-F47 HydrophobicContact CE2-CE2 3.56Å; F40-F47 AromaticContact CE2-CG 3.83Å; F40-F47 HydrophobicContact CE2-CG 3.83Å; F40-F47 HydrophobicContact CE2-CZ 4.35Å; F40-F47 HydrophobicContact CZ-CB 4.04Å; F40-F47 HydrophobicContact CZ-CD1 4.16Å; F40-F47 AromaticContact CZ-CD2 3.6Å; F40-F47 HydrophobicContact CZ-CD2 3.6Å; F40-F47 HydrophobicContact CZ-CE2 4.04Å; F40-F47 AromaticContact CZ-CG 3.66Å; F40-F47 HydrophobicContact CZ-CG 3.66Å; F40-F47 HydrophobicContact CZ-CZ 4.48Å; F40-F47 PolarHBondContact O-N 3.37Å; F40-A83 HydrophobicContact CE1-CB 4.02Å; F40-Y103 HydrophobicContact CE2-CE1 4.31Å; F40-Y103 HydrophobicContact CZ-CD1 4.17Å; F40-Y103 AromaticContact CZ-CE1 3.79Å; F40-Y103 HydrophobicContact CZ-CE1 3.79Å; F40-W148 HydrophobicContact CE1-CH2 4.1Å; F40-W148 AromaticContact CZ-CH2 3.79Å; F40-W148 HydrophobicContact CZ-CH2 3.79Å; F40-W148 HydrophobicContact CZ-CZ2 4.15Å
41	V	76.4	Confident	69.9	Low	70 Å²	70	58.1 Å²	58.1	42%	0.424	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.9	172.6	-178.4	0	0	0	0	107.7	N45 I46 L59	V41-N45 CarbonylContact C-O 3.52Å; V41-N45 WeakPolarHBondContact CA-O 3.05Å; V41-I46 HydrophobicContact CG2-CB 4.24Å; V41-I46 HydrophobicContact CG2-CD1 4.16Å; V41-I46 HydrophobicContact CG2-CG1 3.97Å; V41-L59 HydrophobicContact CG1-CD1 3.94Å
42	E	77.3	Confident	72.8	Confident	35 Å²	35	51.6 Å²	51.6	16%	0.164	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	125.6	179	-178.6	173.5	-170.1	0	0	110.2	F40 S44 N45 F47 K85	F40-E42 HydrophobicContact CD2-CB 4.12Å; F40-E42 HydrophobicContact CE2-CB 4.13Å; E42-S44 PolarHBondContact O-N 3.45Å; E42-N45 PolarHBondContact N-O 3.47Å; E42-N45 WeakPolarHBondContact O-CA 3.4Å; E42-N45 VanDerWaalsContact O-CB 3.3Å; E42-N45 WeakPolarHBondContact O-CB 2.98Å; E42-N45 PolarHBondContact O-N 3.45Å; E42-F47 HydrophobicContact CB-CE2 4.38Å; E42-K85 IonicContact OE1-NZ 3.3Å; E42-K85 PolarHBondContact OE1-NZ 3.09Å
43	N	73.3	Confident	75.6	Confident	125 Å²	125	43 Å²	43	67%	0.668	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	56.7	175.1	-57.6	-25.5	0	0	0	113.5	N45	N43-N45 PolarHBondContact O-N 3.12Å; N43-N45 PolarHBondContact O-ND2 2.66Å
44	S	77.9	Confident	78.3	Confident	8 Å²	8	36.2 Å²	36.2	6%	0.056	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	9.6	-173.2	-60.8	0	0	0	0	116.3	E42 L59 C60 D678	E42-S44 PolarHBondContact O-N 3.45Å; S44-L59 WeakPolarHBondContact O-CB 3.43Å; S44-L59 WeakPolarHBondContact O-CG 3.4Å; S44-L59 PolarHBondContact O-N 3.48Å; S44-C60 VanDerWaalsContact CB-SG 3.55Å; S44-D678 PolarHBondContact N-OD2 2.5Å; S44-D678 WeakPolarHBondContact OG-CB 3.16Å; S44-D678 PolarHBondContact OG-N 2.86Å; S44-D678 PolarHBondContact OG-OD2 3.01Å
45	N	82.6	Confident	80.3	Confident	35 Å²	35	35.2 Å²	35.2	19%	0.187	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.3	173.8	-62.8	-53.8	0	0	0	110	V41 E42 N43 F47 M56 N57	V41-N45 CarbonylContact C-O 3.52Å; V41-N45 WeakPolarHBondContact CA-O 3.05Å; E42-N45 PolarHBondContact N-O 3.47Å; E42-N45 WeakPolarHBondContact O-CA 3.4Å; E42-N45 VanDerWaalsContact O-CB 3.3Å; E42-N45 WeakPolarHBondContact O-CB 2.98Å; E42-N45 PolarHBondContact O-N 3.45Å; N43-N45 PolarHBondContact O-N 3.12Å; N43-N45 PolarHBondContact O-ND2 2.66Å; N45-F47 HydrophobicContact CB-CE2 3.85Å; N45-F47 HydrophobicContact CB-CZ 4.3Å; N45-M56 HydrophobicContact CB-CG 3.77Å; N45-M56 HydrophobicContact CB-SD 3.97Å; N45-N57 WeakPolarHBondContact CA-O 3.26Å
46	I	82.2	Confident	81.7	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.7	173.7	-174.4	166.1	0	0	0	109.8	I38 V41 M56 N57 L59 M716	I38-I46 HydrophobicContact CD1-CD1 3.86Å; I38-I46 HydrophobicContact CG1-CD1 4.04Å; I38-I46 HydrophobicContact CG2-CD1 4.12Å; I38-I46 HydrophobicContact CG2-CG1 4.16Å; V41-I46 HydrophobicContact CG2-CB 4.24Å; V41-I46 HydrophobicContact CG2-CD1 4.16Å; V41-I46 HydrophobicContact CG2-CG1 3.97Å; I46-M56 WeakPolarHBondContact O-CA 3.42Å; I46-N57 HydrophobicContact CG2-CB 3.76Å; I46-N57 WeakPolarHBondContact CG2-O 3.4Å; I46-N57 PolarHBondContact N-O 3.32Å; I46-N57 PolarHBondContact O-N 3.34Å; I46-L59 HydrophobicContact CB-CD2 4Å; I46-L59 HydrophobicContact CB-CG 4.48Å; I46-L59 HydrophobicContact CG2-CD2 3.7Å; I46-L59 HydrophobicContact CG2-CG 4.4Å; I46-M716 HydrophobicContact CD1-SD 4.47Å; I46-M716 HydrophobicContact CG2-CE 3.99Å; I46-M716 HydrophobicContact CG2-SD 3.61Å
47	F	86.2	Confident	82.5	Confident	11 Å²	11	33.5 Å²	33.5	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.1	178.5	-65.4	-96.2	0	0	0	109.5	M39 F40 E42 N45 I54 Y55 M56 V68 W148	M39-F47 HydrophobicContact CB-CB 4.36Å; M39-F47 WeakPolarHBondContact CB-O 3.33Å; M39-F47 PolarHBondContact N-O 2.98Å; F40-F47 HydrophobicContact CD1-CB 4.31Å; F40-F47 AromaticContact CD2-CD2 3.76Å; F40-F47 HydrophobicContact CD2-CD2 3.76Å; F40-F47 HydrophobicContact CD2-CE2 4.34Å; F40-F47 HydrophobicContact CD2-CG 4.43Å; F40-F47 HydrophobicContact CE1-CB 4.02Å; F40-F47 HydrophobicContact CE1-CD2 4.38Å; F40-F47 HydrophobicContact CE1-CG 4.16Å; F40-F47 HydrophobicContact CE2-CB 4.35Å; F40-F47 AromaticContact CE2-CD2 3.25Å; F40-F47 HydrophobicContact CE2-CD2 3.25Å; F40-F47 AromaticContact CE2-CE2 3.56Å; F40-F47 HydrophobicContact CE2-CE2 3.56Å; F40-F47 AromaticContact CE2-CG 3.83Å; F40-F47 HydrophobicContact CE2-CG 3.83Å; F40-F47 HydrophobicContact CE2-CZ 4.35Å; F40-F47 HydrophobicContact CZ-CB 4.04Å; F40-F47 HydrophobicContact CZ-CD1 4.16Å; F40-F47 AromaticContact CZ-CD2 3.6Å; F40-F47 HydrophobicContact CZ-CD2 3.6Å; F40-F47 HydrophobicContact CZ-CE2 4.04Å; F40-F47 AromaticContact CZ-CG 3.66Å; F40-F47 HydrophobicContact CZ-CG 3.66Å; F40-F47 HydrophobicContact CZ-CZ 4.48Å; F40-F47 PolarHBondContact O-N 3.37Å; E42-F47 HydrophobicContact CB-CE2 4.38Å; N45-F47 HydrophobicContact CB-CE2 3.85Å; N45-F47 HydrophobicContact CB-CZ 4.3Å; F47-I54 HydrophobicContact CB-CG2 4.34Å; F47-I54 HydrophobicContact CD1-CG2 4.14Å; F47-Y55 WeakPolarHBondContact CA-O 3.39Å; F47-M56 HydrophobicContact CD1-CB 3.99Å; F47-M56 HydrophobicContact CD1-CG 4.17Å; F47-M56 HydrophobicContact CE1-CB 3.85Å; F47-M56 HydrophobicContact CE1-CG 3.76Å; F47-M56 HydrophobicContact CE1-SD 4.35Å; F47-M56 HydrophobicContact CE2-CG 4.3Å; F47-M56 HydrophobicContact CZ-CB 4.43Å; F47-M56 HydrophobicContact CZ-CG 3.83Å; F47-M56 HydrophobicContact CZ-SD 4.19Å; F47-V68 HydrophobicContact CE1-CG1 4.47Å; F47-V68 HydrophobicContact CE1-CG2 4.19Å; F47-W148 HydrophobicContact CD1-CH2 4.24Å; F47-W148 HydrophobicContact CD1-CZ2 4.01Å; F47-W148 HydrophobicContact CE1-CH2 4.35Å; F47-W148 AromaticContact CE1-CZ2 3.67Å; F47-W148 HydrophobicContact CE1-CZ2 3.67Å; F47-W148 HydrophobicContact CZ-CZ2 4.33Å
48	F	85.5	Confident	82.9	Confident	34 Å²	34	34 Å²	34	15%	0.149	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.8	177.6	61	-79.7	0	0	0	111.3	K37 Y55 N57 M716	K37-F48 CarbonylContact O-C 3.44Å; K37-F48 WeakPolarHBondContact O-CA 3.34Å; K37-F48 WeakPolarHBondContact O-CB 3.47Å; F48-Y55 HydrophobicContact CD2-CD2 4.45Å; F48-Y55 AromaticContact CE2-CD2 3.91Å; F48-Y55 HydrophobicContact CE2-CD2 3.91Å; F48-Y55 AromaticContact CE2-CG 3.97Å; F48-Y55 HydrophobicContact CE2-CG 3.97Å; F48-Y55 HydrophobicContact CZ-CD2 4.38Å; F48-Y55 AromaticContact CZ-CG 3.96Å; F48-Y55 HydrophobicContact CZ-CG 3.96Å; F48-Y55 PolarHBondContact N-O 3.45Å; F48-Y55 PolarHBondContact O-N 3.03Å; F48-N57 HydrophobicContact CE1-CB 4.31Å; F48-M716 HydrophobicContact CD1-CE 3.4Å; F48-M716 VanDerWaalsContact CD1-CE 3.4Å; F48-M716 HydrophobicContact CE1-CE 3.36Å; F48-M716 HydrophobicContact CG-CE 4.13Å; F48-M716 HydrophobicContact CZ-CE 4.02Å
49	S	85.9	Confident	82.9	Confident	6 Å²	6	31.8 Å²	31.8	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.4	175.5	72.2	0	0	0	0	111	G36 K37 M39 I53 I80	G36-S49 CarbonylContact C-O 3.56Å; G36-S49 WeakPolarHBondContact CA-O 3.45Å; K37-S49 PolarHBondContact N-O 2.83Å; K37-S49 PolarHBondContact O-N 3.12Å; M39-S49 PolarHBondContact SD-OG 3.01Å; S49-I53 CarbonylContact C-O 3.56Å; S49-I53 VanDerWaalsContact CA-O 3.32Å; S49-I53 WeakPolarHBondContact CA-O 3.32Å; S49-I80 PolarHBondContact OG-O 3.32Å
50	F	83.9	Confident	82.7	Confident	38 Å²	38	32.9 Å²	32.9	17%	0.167	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	111.9	167	-174.7	-100.6	0	0	0	108.5	N52 I53 Y55 Q713	F50-N52 PolarHBondContact O-N 3.36Å; F50-I53 PolarHBondContact N-O 3.31Å; F50-I53 PolarHBondContact O-N 3.18Å; F50-Y55 HydrophobicContact CB-CD2 4.39Å; F50-Y55 HydrophobicContact CB-CE2 4.2Å; F50-Q713 HydrophobicContact CE2-CG 4.33Å
51	M	85.7	Confident	82.2	Confident	71 Å²	71	35.2 Å²	35.2	35%	0.35	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-120.3	-171.7	-61.2	-65	-176.6	0	0	111.1	I53 R79 I80	M51-I53 VanDerWaalsContact C-N 3.34Å; M51-R79 CarbonylContact O-C 3.54Å; M51-R79 WeakPolarHBondContact O-CA 3.47Å; M51-I80 PolarHBondContact O-N 3.49Å
52	N	88.7	Confident	81.5	Confident	38 Å²	38	35.2 Å²	35.2	20%	0.203	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	9.9	-178.6	67.4	-50	0	0	0	113.8	F50 W71 F78 I80	F50-N52 PolarHBondContact O-N 3.36Å; N52-W71 PolarHBondContact ND2-O 3.08Å; N52-W71 PolarHBondContact O-N 3.37Å; N52-F78 HydrophobicContact CB-CD1 3.84Å; N52-I80 VanDerWaalsContact C-CD1 3.47Å; N52-I80 VanDerWaalsContact O-CD1 3.31Å; N52-I80 WeakPolarHBondContact O-CD1 3.36Å
53	I	89.7	Confident	80.6	Confident	20 Å²	20	43.3 Å²	43.3	10%	0.103	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.4	-173.7	-56.2	177.1	0	0	0	110.3	S49 F50 M51 Y55 K67 M69 E70	S49-I53 CarbonylContact C-O 3.56Å; S49-I53 VanDerWaalsContact CA-O 3.32Å; S49-I53 WeakPolarHBondContact CA-O 3.32Å; F50-I53 PolarHBondContact N-O 3.31Å; F50-I53 PolarHBondContact O-N 3.18Å; M51-I53 VanDerWaalsContact C-N 3.34Å; I53-Y55 HydrophobicContact CB-CE2 3.97Å; I53-Y55 HydrophobicContact CG2-CD2 3.93Å; I53-Y55 HydrophobicContact CG2-CE1 4.24Å; I53-Y55 HydrophobicContact CG2-CE2 3.47Å; I53-Y55 VanDerWaalsContact CG2-CE2 3.47Å; I53-Y55 HydrophobicContact CG2-CG 4.48Å; I53-K67 HydrophobicContact CG2-CD 3.86Å; I53-K67 HydrophobicContact CG2-CG 3.61Å; I53-M69 WeakPolarHBondContact CA-O 3.49Å; I53-M69 VanDerWaalsContact CG2-O 3.27Å; I53-M69 WeakPolarHBondContact CG2-O 3.41Å; I53-E70 HydrophobicContact CD1-CG 4.35Å; I53-E70 HydrophobicContact CG1-CB 4.1Å; I53-E70 HydrophobicContact CG1-CG 3.87Å
54	I	90.4	Very high	80.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.7	165.3	-66.9	168.8	0	0	0	109.1	F47 V68 M69 I80 A83 V105 W148	F47-I54 HydrophobicContact CB-CG2 4.34Å; F47-I54 HydrophobicContact CD1-CG2 4.14Å; I54-V68 PolarHBondContact O-N 2.86Å; I54-M69 HydrophobicContact CB-CG 3.66Å; I54-M69 HydrophobicContact CB-SD 4.39Å; I54-M69 HydrophobicContact CD1-CG 4.03Å; I54-M69 HydrophobicContact CD1-SD 3.56Å; I54-M69 VanDerWaalsContact CD1-SD 3.56Å; I54-M69 HydrophobicContact CG1-CG 4.11Å; I54-M69 HydrophobicContact CG1-SD 4.23Å; I54-M69 PolarHBondContact N-O 3.33Å; I54-M69 PolarHBondContact O-N 3.39Å; I54-I80 HydrophobicContact CD1-CD1 4.19Å; I54-I80 HydrophobicContact CD1-CG2 3.89Å; I54-I80 HydrophobicContact CG1-CD1 3.93Å; I54-I80 HydrophobicContact CG1-CG2 4.13Å; I54-A83 HydrophobicContact CD1-CB 4.04Å; I54-V105 HydrophobicContact CD1-CG1 4.11Å; I54-W148 HydrophobicContact CD1-CZ3 4.08Å
55	Y	87.4	Confident	80	Confident	64 Å²	64	46 Å²	46	25%	0.251	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151.6	173	-68.1	-84.6	0	0	0	110.6	F47 F48 F50 I53 F66 K67	F47-Y55 WeakPolarHBondContact CA-O 3.39Å; F48-Y55 HydrophobicContact CD2-CD2 4.45Å; F48-Y55 AromaticContact CE2-CD2 3.91Å; F48-Y55 HydrophobicContact CE2-CD2 3.91Å; F48-Y55 AromaticContact CE2-CG 3.97Å; F48-Y55 HydrophobicContact CE2-CG 3.97Å; F48-Y55 HydrophobicContact CZ-CD2 4.38Å; F48-Y55 AromaticContact CZ-CG 3.96Å; F48-Y55 HydrophobicContact CZ-CG 3.96Å; F48-Y55 PolarHBondContact N-O 3.45Å; F48-Y55 PolarHBondContact O-N 3.03Å; F50-Y55 HydrophobicContact CB-CD2 4.39Å; F50-Y55 HydrophobicContact CB-CE2 4.2Å; I53-Y55 HydrophobicContact CB-CE2 3.97Å; I53-Y55 HydrophobicContact CG2-CD2 3.93Å; I53-Y55 HydrophobicContact CG2-CE1 4.24Å; I53-Y55 HydrophobicContact CG2-CE2 3.47Å; I53-Y55 VanDerWaalsContact CG2-CE2 3.47Å; I53-Y55 HydrophobicContact CG2-CG 4.48Å; Y55-F66 CarbonylContact C-O 3.54Å; Y55-F66 VanDerWaalsContact CA-O 3.26Å; Y55-F66 WeakPolarHBondContact CA-O 3.23Å; Y55-K67 HydrophobicContact CD1-CB 4.21Å; Y55-K67 HydrophobicContact CE1-CB 3.97Å; Y55-K67 HydrophobicContact CE1-CG 4.41Å
56	M	85.4	Confident	79.9	Confident	13 Å²	13	46.4 Å²	46.4	6%	0.064	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.9	171.2	-176.6	-150.1	83.4	0	0	109.3	N45 I46 F47 F66 V68 P145	N45-M56 HydrophobicContact CB-CG 3.77Å; N45-M56 HydrophobicContact CB-SD 3.97Å; I46-M56 WeakPolarHBondContact O-CA 3.42Å; F47-M56 HydrophobicContact CD1-CB 3.99Å; F47-M56 HydrophobicContact CD1-CG 4.17Å; F47-M56 HydrophobicContact CE1-CB 3.85Å; F47-M56 HydrophobicContact CE1-CG 3.76Å; F47-M56 HydrophobicContact CE1-SD 4.35Å; F47-M56 HydrophobicContact CE2-CG 4.3Å; F47-M56 HydrophobicContact CZ-CB 4.43Å; F47-M56 HydrophobicContact CZ-CG 3.83Å; F47-M56 HydrophobicContact CZ-SD 4.19Å; M56-F66 HydrophobicContact CE-CD2 3.89Å; M56-F66 PolarHBondContact N-O 3.33Å; M56-F66 PolarHBondContact O-N 3.35Å; M56-V68 HydrophobicContact CB-CG2 3.32Å; M56-V68 HydrophobicContact CG-CG2 4.4Å; M56-P145 HydrophobicContact CE-CB 3.5Å; M56-P145 VanDerWaalsContact CE-CB 3.5Å; M56-P145 HydrophobicContact CE-CG 3.61Å; M56-P145 HydrophobicContact SD-CB 3.68Å; M56-P145 HydrophobicContact SD-CG 4.21Å
57	N	80.9	Confident	80.1	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.8	166.1	-72.1	-5.9	0	0	0	108.9	N45 I46 F48 S65 M716	N45-N57 WeakPolarHBondContact CA-O 3.26Å; I46-N57 HydrophobicContact CG2-CB 3.76Å; I46-N57 WeakPolarHBondContact CG2-O 3.4Å; I46-N57 PolarHBondContact N-O 3.32Å; I46-N57 PolarHBondContact O-N 3.34Å; F48-N57 HydrophobicContact CE1-CB 4.31Å; N57-S65 PolarHBondContact ND2-OG 2.95Å; N57-S65 WeakPolarHBondContact OD1-CA 3.37Å; N57-S65 WeakPolarHBondContact OD1-CB 3.33Å; N57-S65 PolarHBondContact OD1-OG 3.38Å; N57-M716 HydrophobicContact CB-CE 4.16Å; N57-M716 HydrophobicContact CB-SD 4.1Å; N57-M716 WeakPolarHBondContact ND2-CE 3.33Å; N57-M716 PolarHBondContact ND2-SD 3.04Å; N57-M716 VanDerWaalsContact ND2-SD 3.35Å
58	N	81	Confident	80.2	Confident	50 Å²	50	51.1 Å²	51.1	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.6	169.4	-169.8	-41.2	0	0	0	108.5	C60 D61	N58-C60 PolarHBondContact O-N 3.11Å; N58-C60 VanDerWaalsContact O-N 3.07Å; N58-C60 WeakPolarHBondContact OD1-CA 3.35Å; N58-C60 WeakPolarHBondContact OD1-CB 3.43Å; N58-C60 PolarHBondContact OD1-N 3.29Å; N58-C60 PolarHBondContact OD1-SG 3.29Å; N58-D61 CarbonylContact O-C 3.54Å; N58-D61 PolarHBondContact O-N 3.45Å; N58-D61 VanDerWaalsContact O-N 3.09Å
59	L	77.7	Confident	80.4	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12	177.1	-61.9	178.1	0	0	0	112.9	V41 S44 I46 H675 M682 T684	V41-L59 HydrophobicContact CG1-CD1 3.94Å; S44-L59 WeakPolarHBondContact O-CB 3.43Å; S44-L59 WeakPolarHBondContact O-CG 3.4Å; S44-L59 PolarHBondContact O-N 3.48Å; I46-L59 HydrophobicContact CB-CD2 4Å; I46-L59 HydrophobicContact CB-CG 4.48Å; I46-L59 HydrophobicContact CG2-CD2 3.7Å; I46-L59 HydrophobicContact CG2-CG 4.4Å; L59-H675 HydrophobicContact CD1-CB 3.88Å; L59-H675 HydrophobicContact CD2-CB 4.05Å; L59-M682 WeakPolarHBondContact O-CE 3.34Å; L59-T684 WeakPolarHBondContact CA-OG1 3.39Å; L59-T684 HydrophobicContact CD2-CG2 3.65Å; L59-T684 PolarHBondContact O-OG1 3.4Å
60	C	77.4	Confident	80.7	Confident	27 Å²	27	53 Å²	53	18%	0.182	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-12.7	177.9	-46.9	0	0	0	0	113.6	S44 N58 C677 I679 M682	S44-C60 VanDerWaalsContact CB-SG 3.55Å; N58-C60 PolarHBondContact O-N 3.11Å; N58-C60 VanDerWaalsContact O-N 3.07Å; N58-C60 WeakPolarHBondContact OD1-CA 3.35Å; N58-C60 WeakPolarHBondContact OD1-CB 3.43Å; N58-C60 PolarHBondContact OD1-N 3.29Å; N58-C60 PolarHBondContact OD1-SG 3.29Å; C60-C677 HydrophobicContact CB-CB 3.98Å; C60-C677 WeakPolarHBondContact CB-SG 3.41Å; C60-C677 WeakPolarHBondContact SG-CB 3.14Å; C60-C677 CovalentContact SG-SG 2.02Å; C60-C677 PolarHBondContact SG-SG 3.17Å; C60-I679 HydrophobicContact CB-CG1 4.41Å; C60-M682 VanDerWaalsContact CA-CE 3.41Å; C60-M682 VanDerWaalsContact O-CE 3.26Å; C60-M682 WeakPolarHBondContact O-CE 3.37Å
61	D	70.3	Confident	81	Confident	80 Å²	80	51.4 Å²	51.4	43%	0.428	25%	0.252	S	S	.	.			trans	-138.5	125.2	175.7	-170.7	-2.5	0	0	0	112.7	N58 R63	N58-D61 CarbonylContact O-C 3.54Å; N58-D61 PolarHBondContact O-N 3.45Å; N58-D61 VanDerWaalsContact O-N 3.09Å; D61-R63 VanDerWaalsContact C-N 3.34Å; D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 WeakPolarHBondContact OD1-CB 3.45Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 PolarHBondContact OD1-N 3.49Å
62	S	62	Low	81.1	Confident	70 Å²	70	56 Å²	56	49%	0.49	27%	0.273	S	S	.	.			trans	-78.1	-14.7	-178.4	78.6	0	0	0	0	114.6	Q64	S62-Q64 PolarHBondContact O-N 3.21Å
63	R	58.7	Low	80.8	Confident	205 Å²	205	56.2 Å²	56.2	77%	0.774	28%	0.275	S	S	*	.	S	Bend	trans	-76.2	-29.6	-155.8	-73.7	-177.9	-178.8	-179.2	4	114.3	D61	D61-R63 VanDerWaalsContact C-N 3.34Å; D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 WeakPolarHBondContact OD1-CB 3.45Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 PolarHBondContact OD1-N 3.49Å
64	Q	64.1	Low	80.3	Confident	121 Å²	121	59.6 Å²	59.6	57%	0.565	30%	0.301	S	S	*	.			trans	-147	128	-173.2	-64.8	-175.6	1.4	0	0	112.4	S62 F66	S62-Q64 PolarHBondContact O-N 3.21Å; Q64-F66 HydrophobicContact CB-CD2 4.43Å; Q64-F66 HydrophobicContact CB-CE1 3.96Å; Q64-F66 HydrophobicContact CB-CE2 3.84Å; Q64-F66 HydrophobicContact CB-CZ 3.58Å; Q64-F66 WeakPolarHBondContact O-CD2 3.49Å; Q64-F66 WeakPolarHBondContact O-CE2 3.2Å
65	S	73.5	Confident	79.8	Confident	69 Å²	69	61.5 Å²	61.5	48%	0.483	31%	0.309	S	S	.	.			trans	-82.9	124.1	159.8	-61.5	0	0	0	0	108.8	N57	N57-S65 PolarHBondContact ND2-OG 2.95Å; N57-S65 WeakPolarHBondContact OD1-CA 3.37Å; N57-S65 WeakPolarHBondContact OD1-CB 3.33Å; N57-S65 PolarHBondContact OD1-OG 3.38Å
66	F	80.3	Confident	79.4	Confident	42 Å²	42	64.2 Å²	64.2	18%	0.184	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.8	-179.1	-61.8	-82.8	0	0	0	109.7	Y55 M56 Q64 V68 P145	Y55-F66 CarbonylContact C-O 3.54Å; Y55-F66 VanDerWaalsContact CA-O 3.26Å; Y55-F66 WeakPolarHBondContact CA-O 3.23Å; M56-F66 HydrophobicContact CE-CD2 3.89Å; M56-F66 PolarHBondContact N-O 3.33Å; M56-F66 PolarHBondContact O-N 3.35Å; Q64-F66 HydrophobicContact CB-CD2 4.43Å; Q64-F66 HydrophobicContact CB-CE1 3.96Å; Q64-F66 HydrophobicContact CB-CE2 3.84Å; Q64-F66 HydrophobicContact CB-CZ 3.58Å; Q64-F66 WeakPolarHBondContact O-CD2 3.49Å; Q64-F66 WeakPolarHBondContact O-CE2 3.2Å; F66-V68 PolarHBondContact O-N 3.03Å; F66-P145 HydrophobicContact CB-CG 3.25Å; F66-P145 HydrophobicContact CD1-CG 3.86Å; F66-P145 HydrophobicContact CD2-CG 3.7Å; F66-P145 HydrophobicContact CE2-CG 4.47Å; F66-P145 HydrophobicContact CG-CG 3.32Å
67	K	86.4	Confident	79.4	Confident	108 Å²	108	65.6 Å²	65.6	47%	0.47	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	111.1	169.1	-174.6	174.6	77.9	170.1	0	107.9	I53 Y55 E70	I53-K67 HydrophobicContact CG2-CD 3.86Å; I53-K67 HydrophobicContact CG2-CG 3.61Å; Y55-K67 HydrophobicContact CD1-CB 4.21Å; Y55-K67 HydrophobicContact CE1-CB 3.97Å; Y55-K67 HydrophobicContact CE1-CG 4.41Å; K67-E70 HydrophobicContact CD-CB 4.24Å; K67-E70 IonicContact NZ-OE2 3.11Å; K67-E70 PolarHBondContact NZ-OE2 3.41Å
68	V	88.4	Confident	79.7	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.024	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-42.1	179.9	173.5	0	0	0	0	110.7	F47 I54 M56 F66 T147 W148	F47-V68 HydrophobicContact CE1-CG1 4.47Å; F47-V68 HydrophobicContact CE1-CG2 4.19Å; I54-V68 PolarHBondContact O-N 2.86Å; M56-V68 HydrophobicContact CB-CG2 3.32Å; M56-V68 HydrophobicContact CG-CG2 4.4Å; F66-V68 PolarHBondContact O-N 3.03Å; V68-T147 CarbonylContact O-C 3.59Å; V68-T147 WeakPolarHBondContact O-CA 3.27Å; V68-W148 HydrophobicContact CG1-CB 4.25Å; V68-W148 HydrophobicContact CG1-CD2 3.51Å; V68-W148 VanDerWaalsContact CG1-CE2 3.44Å; V68-W148 HydrophobicContact CG1-CE3 4.3Å; V68-W148 HydrophobicContact CG1-CG 3.44Å; V68-W148 VanDerWaalsContact CG1-CG 3.44Å; V68-W148 HydrophobicContact CG1-CZ2 4.16Å; V68-W148 VanDerWaalsContact CG1-NE1 3.32Å; V68-W148 PolarHBondContact O-N 3Å
69	M	91.6	Very high	80	Confident	4 Å²	4	67 Å²	67	2%	0.02	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	153.6	174.5	58.5	162.2	-70.3	0	0	112.2	I53 I54 W71 I80 V105 W134 W148	I53-M69 WeakPolarHBondContact CA-O 3.49Å; I53-M69 VanDerWaalsContact CG2-O 3.27Å; I53-M69 WeakPolarHBondContact CG2-O 3.41Å; I54-M69 HydrophobicContact CB-CG 3.66Å; I54-M69 HydrophobicContact CB-SD 4.39Å; I54-M69 HydrophobicContact CD1-CG 4.03Å; I54-M69 HydrophobicContact CD1-SD 3.56Å; I54-M69 VanDerWaalsContact CD1-SD 3.56Å; I54-M69 HydrophobicContact CG1-CG 4.11Å; I54-M69 HydrophobicContact CG1-SD 4.23Å; I54-M69 PolarHBondContact N-O 3.33Å; I54-M69 PolarHBondContact O-N 3.39Å; M69-W71 HydrophobicContact CE-CB 4.16Å; M69-I80 HydrophobicContact CE-CD1 3.75Å; M69-V105 HydrophobicContact CE-CG1 4.23Å; M69-V105 HydrophobicContact SD-CG1 4.25Å; M69-V105 HydrophobicContact SD-CG2 4.01Å; M69-W134 HydrophobicContact CB-CE3 4.04Å; M69-W134 HydrophobicContact CB-CZ3 3.93Å; M69-W134 HydrophobicContact CE-CD2 3.81Å; M69-W134 VanDerWaalsContact CE-CE2 3.43Å; M69-W134 HydrophobicContact CE-CE3 4.02Å; M69-W134 HydrophobicContact CE-CH2 3.62Å; M69-W134 HydrophobicContact CE-CZ2 3.36Å; M69-W134 HydrophobicContact CE-CZ3 3.93Å; M69-W134 HydrophobicContact SD-CD2 3.91Å; M69-W134 HydrophobicContact SD-CE3 4.09Å; M69-W134 HydrophobicContact SD-CG 4.29Å; M69-W134 HydrophobicContact SD-CZ3 4.48Å; M69-W148 HydrophobicContact CB-CB 4.12Å; M69-W148 HydrophobicContact CG-CE3 4.02Å; M69-W148 HydrophobicContact SD-CE3 3.62Å; M69-W148 HydrophobicContact SD-CZ3 4.1Å
70	E	91	Very high	80.6	Confident	76 Å²	76	67 Å²	67	36%	0.355	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.8	169.1	174.9	164.2	-164.9	0	0	107.7	I53 K67 E72	I53-E70 HydrophobicContact CD1-CG 4.35Å; I53-E70 HydrophobicContact CG1-CB 4.1Å; I53-E70 HydrophobicContact CG1-CG 3.87Å; K67-E70 HydrophobicContact CD-CB 4.24Å; K67-E70 IonicContact NZ-OE2 3.11Å; K67-E70 PolarHBondContact NZ-OE2 3.41Å; E70-E72 PolarHBondContact O-N 3.4Å
71	W	91	Very high	81	Confident	4 Å²	4	66 Å²	66	2%	0.015	34%	0.339	C	S	.	.			trans	-85.6	105	175.8	-163	-26.7	0	0	0	108.6	N52 M69 T73 F78 I80 V105 V121 I130 W134	N52-W71 PolarHBondContact ND2-O 3.08Å; N52-W71 PolarHBondContact O-N 3.37Å; M69-W71 HydrophobicContact CE-CB 4.16Å; W71-T73 PolarHBondContact O-N 2.68Å; W71-F78 HydrophobicContact CB-CE1 3.97Å; W71-F78 AromaticContact CD2-CE1 3.62Å; W71-F78 HydrophobicContact CD2-CE1 3.62Å; W71-F78 AromaticContact CD2-CZ 3.75Å; W71-F78 HydrophobicContact CD2-CZ 3.75Å; W71-F78 AromaticContact CE3-CE1 3.6Å; W71-F78 HydrophobicContact CE3-CE1 3.6Å; W71-F78 AromaticContact CE3-CZ 3.53Å; W71-F78 HydrophobicContact CE3-CZ 3.53Å; W71-F78 AromaticContact CG-CE1 3.8Å; W71-F78 HydrophobicContact CG-CE1 3.8Å; W71-F78 HydrophobicContact CG-CZ 4.38Å; W71-F78 HydrophobicContact CH2-CZ 4.13Å; W71-F78 HydrophobicContact CZ2-CZ 4.36Å; W71-F78 HydrophobicContact CZ3-CE1 4.28Å; W71-F78 AromaticContact CZ3-CZ 3.73Å; W71-F78 HydrophobicContact CZ3-CZ 3.73Å; W71-I80 HydrophobicContact CB-CD1 4.34Å; W71-I80 HydrophobicContact CE3-CG1 4.25Å; W71-V105 HydrophobicContact CE3-CG1 4.19Å; W71-V105 HydrophobicContact CZ3-CB 4.38Å; W71-V105 HydrophobicContact CZ3-CG1 4.05Å; W71-V105 WeakPolarHBondContact CZ3-O 3.49Å; W71-V121 HydrophobicContact CZ2-CG1 4.24Å; W71-I130 HydrophobicContact CH2-CD1 4.32Å; W71-I130 HydrophobicContact CH2-CG1 4.16Å; W71-I130 HydrophobicContact CZ2-CD1 3.83Å; W71-I130 HydrophobicContact CZ2-CG1 4.15Å; W71-W134 HydrophobicContact CB-CZ2 4.28Å; W71-W134 HydrophobicContact CD2-CZ2 4.15Å; W71-W134 HydrophobicContact CE3-CZ2 4.48Å; W71-W134 HydrophobicContact CG-CZ2 4.07Å
72	E	86.4	Confident	81.9	Confident	168 Å²	168	62.1 Å²	62.1	79%	0.785	32%	0.319	S	S	*	.			trans	-69.4	118.7	174.1	-65	-173.5	176.8	0	0	110.2	E70	E70-E72 PolarHBondContact O-N 3.4Å
73	T	82.8	Confident	83.2	Confident	41 Å²	41	58.9 Å²	58.9	25%	0.252	30%	0.296	S	S	.	.			trans	-149.3	145.8	-176.5	-176.6	0	0	0	0	111.4	W71 Y75 F78	W71-T73 PolarHBondContact O-N 2.68Å; T73-Y75 PolarHBondContact O-N 3.33Å; T73-Y75 WeakPolarHBondContact OG1-CD2 3.31Å; T73-Y75 PolarHBondContact OG1-N 3.36Å; T73-F78 HydrophobicContact CG2-CB 3.6Å; T73-F78 HydrophobicContact CG2-CD1 3.74Å; T73-F78 HydrophobicContact CG2-CG 3.83Å
74	S	79.3	Confident	84.6	Confident	91 Å²	91	49.4 Å²	49.4	64%	0.636	26%	0.261	S	S	*	.	S	Bend	trans	-73.7	-11.7	175	55.5	0	0	0	0	113	S76	S74-S76 PolarHBondContact O-N 3.26Å
75	Y	81.3	Confident	85.6	Confident	41 Å²	41	44.9 Å²	44.9	16%	0.161	24%	0.239	C	C	.	.			trans	-86.3	101.9	179.2	-51.5	-65.7	0	0	0	110.7	T73 T77 F78 Y114 T115 I117	T73-Y75 PolarHBondContact O-N 3.33Å; T73-Y75 WeakPolarHBondContact OG1-CD2 3.31Å; T73-Y75 PolarHBondContact OG1-N 3.36Å; Y75-T77 PolarHBondContact O-N 3.2Å; Y75-F78 VanDerWaalsContact O-CB 3.26Å; Y75-F78 WeakPolarHBondContact O-CB 3.1Å; Y75-F78 PolarHBondContact O-N 3.36Å; Y75-Y114 AromaticContact CD2-CD1 3.66Å; Y75-Y114 HydrophobicContact CD2-CD1 3.66Å; Y75-Y114 AromaticContact CD2-CE1 3.9Å; Y75-Y114 HydrophobicContact CD2-CE1 3.9Å; Y75-Y114 AromaticContact CE2-CD1 3.39Å; Y75-Y114 HydrophobicContact CE2-CD1 3.39Å; Y75-Y114 HydrophobicContact CE2-CE1 4.11Å; Y75-Y114 HydrophobicContact CE2-CG 4.32Å; Y75-Y114 HydrophobicContact CG-CD1 4.46Å; Y75-Y114 AromaticContact CZ-CD1 3.93Å; Y75-T115 PolarHBondContact OH-N 2.99Å; Y75-T115 PolarHBondContact OH-O 3.3Å; Y75-T115 PolarHBondContact OH-OG1 3.28Å; Y75-I117 HydrophobicContact CE2-CD1 4.11Å
76	S	78.9	Confident	86	Confident	120 Å²	120	42 Å²	42	84%	0.839	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.2	179.3	58.2	0	0	0	0	115	S74	S74-S76 PolarHBondContact O-N 3.26Å
77	T	84.4	Confident	85.3	Confident	42 Å²	42	40.9 Å²	40.9	26%	0.258	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	10.6	179.5	61.1	0	0	0	0	113.3	Y75 Q110	Y75-T77 PolarHBondContact O-N 3.2Å; T77-Q110 HydrophobicContact CG2-CB 4.44Å; T77-Q110 HydrophobicContact CG2-CG 4.2Å; T77-Q110 PolarHBondContact OG1-N 3.18Å
78	F	87.2	Confident	84.2	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.009	20%	0.199	C	C	.	.			trans	-67.6	134.4	179.5	-177.4	-107.3	0	0	0	111.8	N52 W71 T73 Y75 I80 G107 T108 Y114 I130	N52-F78 HydrophobicContact CB-CD1 3.84Å; W71-F78 HydrophobicContact CB-CE1 3.97Å; W71-F78 AromaticContact CD2-CE1 3.62Å; W71-F78 HydrophobicContact CD2-CE1 3.62Å; W71-F78 AromaticContact CD2-CZ 3.75Å; W71-F78 HydrophobicContact CD2-CZ 3.75Å; W71-F78 AromaticContact CE3-CE1 3.6Å; W71-F78 HydrophobicContact CE3-CE1 3.6Å; W71-F78 AromaticContact CE3-CZ 3.53Å; W71-F78 HydrophobicContact CE3-CZ 3.53Å; W71-F78 AromaticContact CG-CE1 3.8Å; W71-F78 HydrophobicContact CG-CE1 3.8Å; W71-F78 HydrophobicContact CG-CZ 4.38Å; W71-F78 HydrophobicContact CH2-CZ 4.13Å; W71-F78 HydrophobicContact CZ2-CZ 4.36Å; W71-F78 HydrophobicContact CZ3-CE1 4.28Å; W71-F78 AromaticContact CZ3-CZ 3.73Å; W71-F78 HydrophobicContact CZ3-CZ 3.73Å; T73-F78 HydrophobicContact CG2-CB 3.6Å; T73-F78 HydrophobicContact CG2-CD1 3.74Å; T73-F78 HydrophobicContact CG2-CG 3.83Å; Y75-F78 VanDerWaalsContact O-CB 3.26Å; Y75-F78 WeakPolarHBondContact O-CB 3.1Å; Y75-F78 PolarHBondContact O-N 3.36Å; F78-I80 HydrophobicContact CE1-CG1 3.94Å; F78-G107 VanDerWaalsContact CE2-C 3.44Å; F78-T108 WeakPolarHBondContact CA-O 3.37Å; F78-Y114 HydrophobicContact CD2-CE1 4.17Å; F78-Y114 HydrophobicContact CE2-CE1 4.39Å; F78-I130 HydrophobicContact CD2-CD1 4.15Å; F78-I130 HydrophobicContact CD2-CG1 4.37Å; F78-I130 HydrophobicContact CE2-CD1 3.51Å; F78-I130 HydrophobicContact CE2-CG1 3.45Å; F78-I130 VanDerWaalsContact CE2-CG1 3.45Å; F78-I130 HydrophobicContact CZ-CD1 3.96Å; F78-I130 HydrophobicContact CZ-CG1 4.01Å
79	R	87	Confident	82.6	Confident	89 Å²	89	39.3 Å²	39.3	34%	0.336	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.6	174.5	70.3	-178.4	-175.2	-179.5	1.9	110.9	D34 M51 T81 G107 T108	D34-R79 IonicContact OD2-NH1 3.64Å; D34-R79 PolarHBondContact OD2-NH1 3.29Å; M51-R79 CarbonylContact O-C 3.54Å; M51-R79 WeakPolarHBondContact O-CA 3.47Å; R79-T81 HydrophobicContact CG-CG2 3.94Å; R79-G107 CarbonylContact O-C 3.45Å; R79-G107 WeakPolarHBondContact O-CA 3.42Å; R79-T108 WeakPolarHBondContact CG-O 3.49Å; R79-T108 PolarHBondContact N-O 3.28Å; R79-T108 PolarHBondContact NE-OG1 2.71Å; R79-T108 PolarHBondContact O-N 2.81Å
80	I	90	Very high	80.8	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	128.7	169.8	-64.5	171.6	0	0	0	108.4	M39 S49 M51 N52 I54 M69 W71 F78 V105	M39-I80 HydrophobicContact CE-CG2 3.95Å; S49-I80 PolarHBondContact OG-O 3.32Å; M51-I80 PolarHBondContact O-N 3.49Å; N52-I80 VanDerWaalsContact C-CD1 3.47Å; N52-I80 VanDerWaalsContact O-CD1 3.31Å; N52-I80 WeakPolarHBondContact O-CD1 3.36Å; I54-I80 HydrophobicContact CD1-CD1 4.19Å; I54-I80 HydrophobicContact CD1-CG2 3.89Å; I54-I80 HydrophobicContact CG1-CD1 3.93Å; I54-I80 HydrophobicContact CG1-CG2 4.13Å; M69-I80 HydrophobicContact CE-CD1 3.75Å; W71-I80 HydrophobicContact CB-CD1 4.34Å; W71-I80 HydrophobicContact CE3-CG1 4.25Å; F78-I80 HydrophobicContact CE1-CG1 3.94Å; I80-V105 HydrophobicContact CD1-CG1 4.36Å; I80-V105 HydrophobicContact CG1-CG1 4.39Å; I80-V105 HydrophobicContact CG2-CG1 3.64Å
81	T	86.7	Confident	78.5	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-33.4	-171.9	57.6	0	0	0	0	112.9	R79 C106 T108 L173	R79-T81 HydrophobicContact CG-CG2 3.94Å; T81-C106 PolarHBondContact N-O 3.25Å; T81-C106 PolarHBondContact OG1-O 3.13Å; T81-T108 HydrophobicContact CG2-CG2 4.29Å; T81-L173 HydrophobicContact CG2-CD2 3.63Å
82	S	89.1	Confident	76.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.4	178.7	61.6	0	0	0	0	112.1	V105 C106 S169 A172	S82-V105 WeakPolarHBondContact O-CA 3.27Å; S82-C106 PolarHBondContact N-O 3.4Å; S82-C106 PolarHBondContact O-N 3.3Å; S82-C106 WeakPolarHBondContact OG-CB 3.38Å; S82-S169 WeakPolarHBondContact OG-CB 3.39Å; S82-S169 PolarHBondContact OG-OG 3.26Å; S82-A172 VanDerWaalsContact CB-CB 3.41Å
83	A	90.5	Very high	74.4	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.017	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	118.3	175.9	0	0	0	0	0	107.3	M39 F40 I54 F104 V105	M39-A83 HydrophobicContact CE-CB 3.6Å; F40-A83 HydrophobicContact CE1-CB 4.02Å; I54-A83 HydrophobicContact CD1-CB 4.04Å; A83-F104 WeakPolarHBondContact CA-O 3.26Å; A83-V105 HydrophobicContact CB-CG2 4.12Å
84	F	87.2	Confident	72.5	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.022	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.1	-179.1	-61.6	-64.6	0	0	0	110.2	M86 Y103 F104 L165 A168 A172 Y177 V190 F210	F84-M86 HydrophobicContact CB-CE 3.62Å; F84-M86 WeakPolarHBondContact O-CE 3.37Å; F84-M86 PolarHBondContact O-N 2.96Å; F84-Y103 CarbonylContact O-C 3.58Å; F84-Y103 VanDerWaalsContact O-CA 3.31Å; F84-Y103 WeakPolarHBondContact O-CA 3.49Å; F84-F104 PolarHBondContact N-O 3.38Å; F84-F104 PolarHBondContact O-N 3.01Å; F84-L165 HydrophobicContact CB-CD1 4.38Å; F84-L165 HydrophobicContact CD2-CD1 3.93Å; F84-L165 HydrophobicContact CG-CD1 4.46Å; F84-A168 HydrophobicContact CE2-CB 4.03Å; F84-A168 HydrophobicContact CZ-CB 4.07Å; F84-A172 HydrophobicContact CE2-CB 4.38Å; F84-A172 HydrophobicContact CZ-CB 3.73Å; F84-Y177 HydrophobicContact CE1-CE2 4.16Å; F84-V190 HydrophobicContact CD1-CG2 4.37Å; F84-V190 HydrophobicContact CE1-CG2 3.64Å; F84-V190 HydrophobicContact CZ-CG1 4.48Å; F84-V190 HydrophobicContact CZ-CG2 3.97Å; F84-F210 HydrophobicContact CB-CZ 4.04Å; F84-F210 HydrophobicContact CD1-CZ 4.36Å; F84-F210 HydrophobicContact CG-CZ 4.07Å
85	K	84.9	Confident	70.9	Confident	27 Å²	27	43.7 Å²	43.7	12%	0.117	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	124.5	169.5	-168.2	173.5	-173	173.9	0	109.4	E42 N101 Y103	E42-K85 IonicContact OE1-NZ 3.3Å; E42-K85 PolarHBondContact OE1-NZ 3.09Å; K85-N101 WeakPolarHBondContact CE-OD1 3.28Å; K85-N101 PolarHBondContact NZ-OD1 3.21Å; K85-Y103 HydrophobicContact CB-CD1 3.95Å; K85-Y103 HydrophobicContact CB-CE1 3.75Å; K85-Y103 HydrophobicContact CD-CE1 4.27Å; K85-Y103 HydrophobicContact CG-CD1 4.31Å; K85-Y103 HydrophobicContact CG-CE1 3.87Å
86	M	82	Confident	69.2	Low	9 Å²	9	48.2 Å²	48.2	4%	0.044	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139	179.2	-67.2	-65.1	95.1	0	0	110.6	F84 T88 I102 F104 F133 L165 F210	F84-M86 HydrophobicContact CB-CE 3.62Å; F84-M86 WeakPolarHBondContact O-CE 3.37Å; F84-M86 PolarHBondContact O-N 2.96Å; M86-T88 PolarHBondContact O-N 2.99Å; M86-I102 WeakPolarHBondContact CA-O 3.45Å; M86-I102 HydrophobicContact CB-CB 4.16Å; M86-I102 HydrophobicContact CB-CG2 4.16Å; M86-I102 WeakPolarHBondContact CB-O 3.31Å; M86-I102 HydrophobicContact CG-CG2 4.33Å; M86-I102 PolarHBondContact N-O 3.47Å; M86-F104 HydrophobicContact CE-CB 3.77Å; M86-F104 HydrophobicContact CG-CB 3.78Å; M86-F104 HydrophobicContact SD-CB 3.73Å; M86-F133 HydrophobicContact CG-CD1 4.14Å; M86-F133 HydrophobicContact CG-CE1 3.95Å; M86-F133 HydrophobicContact SD-CE1 4.18Å; M86-L165 HydrophobicContact CE-CD1 3.55Å; M86-L165 HydrophobicContact CE-CD2 4.01Å; M86-L165 HydrophobicContact CE-CG 4.43Å; M86-L165 HydrophobicContact SD-CD1 4.24Å; M86-L165 HydrophobicContact SD-CD2 3.51Å; M86-L165 VanDerWaalsContact SD-CD2 3.51Å; M86-F210 HydrophobicContact CE-CD2 4.47Å; M86-F210 HydrophobicContact CE-CE2 3.59Å; M86-F210 HydrophobicContact CE-CZ 4.14Å
87	P	64.9	Low	67.7	Low	17 Å²	17	45 Å²	45	11%	0.11	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-64.7	129.1	173	29.7	-36.3	0	0	0	109.8	Y156 G186 P212	P87-Y156 PolarHBondContact O-OH 2.97Å; P87-G186 VanDerWaalsContact CB-O 3.28Å; P87-G186 WeakPolarHBondContact CB-O 3.49Å; P87-G186 VanDerWaalsContact CG-O 3.26Å; P87-G186 WeakPolarHBondContact CG-O 3.26Å; P87-P212 HydrophobicContact CB-CB 4.38Å; P87-P212 HydrophobicContact CG-CB 4.15Å
88	T	64.6	Low	66.2	Low	23 Å²	23	50.4 Å²	50.4	14%	0.141	29%	0.29	C	S	.	.			trans	-106.4	123.7	169.1	57.6	0	0	0	0	108.6	M86 F90 I100 I102	M86-T88 PolarHBondContact O-N 2.99Å; T88-F90 PolarHBondContact O-N 3.25Å; T88-I100 WeakPolarHBondContact CG2-O 3.24Å; T88-I100 PolarHBondContact OG1-O 3.25Å; T88-I102 HydrophobicContact CG2-CB 4.1Å; T88-I102 HydrophobicContact CG2-CD1 3.6Å; T88-I102 HydrophobicContact CG2-CG1 3.72Å
89	P	53.7	Low	65	Low	57 Å²	57	55.8 Å²	55.8	37%	0.37	32%	0.315	S	S	.	.	S	Bend	trans	-72.3	24.3	-170.8	28.4	-35.4	0	0	0	114.3	S91 L216	P89-S91 PolarHBondContact O-N 3.15Å; P89-L216 HydrophobicContact CG-CD1 4.2Å; P89-L216 HydrophobicContact CG-CG 4.14Å
90	F	53.3	Low	64.2	Low	47 Å²	47	53 Å²	53	21%	0.206	31%	0.307	C	S	.	.			trans	-84.4	13.7	-177.1	-65.8	-66.3	0	0	0	114.2	T88 G92 L216 L226	T88-F90 PolarHBondContact O-N 3.25Å; F90-G92 PolarHBondContact O-N 3.4Å; F90-G92 VanDerWaalsContact O-N 3.08Å; F90-L216 HydrophobicContact CD2-CD1 4.44Å; F90-L216 HydrophobicContact CE1-CD1 4.41Å; F90-L216 HydrophobicContact CE2-CD1 3.36Å; F90-L216 HydrophobicContact CZ-CD1 3.33Å; F90-L226 HydrophobicContact CE1-CD2 4.39Å; F90-L226 HydrophobicContact CE2-CD1 3.91Å; F90-L226 HydrophobicContact CE2-CD2 4.16Å; F90-L226 HydrophobicContact CZ-CB 4.11Å; F90-L226 HydrophobicContact CZ-CD1 3.63Å; F90-L226 HydrophobicContact CZ-CD2 3.87Å; F90-L226 HydrophobicContact CZ-CG 4.07Å
91	S	42.6	Very low	63.7	Low	79 Å²	79	54.6 Å²	54.6	55%	0.552	32%	0.315	S	S	*	.			trans	-83.2	75.8	177.3	50.8	0	0	0	0	112	P89	P89-S91 PolarHBondContact O-N 3.15Å
92	G	41.8	Very low	63.7	Low	24 Å²	24	54.4 Å²	54.4	25%	0.247	31%	0.314	C	S	.	.			trans	-110.6	132.9	156	0	0	0	0	0	108.5	F90 N94 C95	F90-G92 PolarHBondContact O-N 3.4Å; F90-G92 VanDerWaalsContact O-N 3.08Å; G92-N94 PolarHBondContact O-N 2.89Å; G92-C95 WeakPolarHBondContact O-CB 3.21Å; G92-C95 PolarHBondContact O-N 3.46Å
93	D	50.7	Low	63.7	Low	177 Å²	177	54.5 Å²	54.5	95%	0.947	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.5	-177.5	-63.9	-31.4	0	0	0	113.3
94	N	43.2	Very low	63.7	Low	121 Å²	121	54.4 Å²	54.4	65%	0.647	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	2.7	177.7	-73.7	-10.5	0	0	0	114.8	G92 T96	G92-N94 PolarHBondContact O-N 2.89Å; N94-T96 PolarHBondContact O-N 3.28Å
95	C	45.7	Very low	64	Low	28 Å²	28	54.2 Å²	54.2	19%	0.189	31%	0.313	C	S	.	.			trans	-88	101.9	179.2	-68.2	0	0	0	0	109.5	G92 G97 C231	G92-C95 WeakPolarHBondContact O-CB 3.21Å; G92-C95 PolarHBondContact O-N 3.46Å; C95-G97 PolarHBondContact O-N 3.38Å; C95-C231 WeakPolarHBondContact CB-SG 3.44Å; C95-C231 WeakPolarHBondContact SG-CB 3.48Å; C95-C231 CovalentContact SG-SG 2.06Å; C95-C231 PolarHBondContact SG-SG 2.96Å
96	T	44.4	Very low	64.3	Low	135 Å²	135	52.9 Å²	52.9	83%	0.828	31%	0.307	S	S	*	.			trans	-74.1	18.4	170.3	58.1	0	0	0	0	113.1	N94	N94-T96 PolarHBondContact O-N 3.28Å
97	G	47.9	Very low	64.7	Low	52 Å²	52	52.5 Å²	52.5	54%	0.536	31%	0.305	S	S	.	.	S	Bend	trans	-73	139.4	178.3	0	0	0	0	0	110.5	C95 Q99	C95-G97 PolarHBondContact O-N 3.38Å; G97-Q99 PolarHBondContact O-N 2.83Å; G97-Q99 VanDerWaalsContact O-N 3.14Å
98	H	54.1	Low	65.8	Low	156 Å²	156	51.8 Å²	51.8	72%	0.722	30%	0.3	S	S	*	.			trans	-58.9	119.1	171	-74.6	59.2	0	0	0	108.5	I100	H98-I100 PolarHBondContact O-N 3.04Å; H98-I100 VanDerWaalsContact O-N 3.12Å
99	Q	60.8	Low	66.6	Low	115 Å²	115	51 Å²	51	54%	0.537	30%	0.295	S	S	.	.			trans	-65.5	111.9	172.4	-82.9	-175.1	-20.8	0	0	108.5	G97	G97-Q99 PolarHBondContact O-N 2.83Å; G97-Q99 VanDerWaalsContact O-N 3.14Å
100	I	69.8	Low	67.7	Low	31 Å²	31	55.3 Å²	55.3	16%	0.159	31%	0.31	C	S	.	.			trans	-81.9	120	171.7	-55.7	-175.8	0	0	0	107.6	T88 H98 I102 R135 L226	T88-I100 WeakPolarHBondContact CG2-O 3.24Å; T88-I100 PolarHBondContact OG1-O 3.25Å; H98-I100 PolarHBondContact O-N 3.04Å; H98-I100 VanDerWaalsContact O-N 3.12Å; I100-I102 HydrophobicContact CG2-CG1 4.24Å; I100-R135 HydrophobicContact CG2-CB 4.02Å; I100-L226 HydrophobicContact CD1-CD1 4.23Å; I100-L226 HydrophobicContact CD1-CD2 3.71Å; I100-L226 HydrophobicContact CD1-CG 4.28Å; I100-L226 HydrophobicContact CG1-CD2 4.4Å
101	N	80.6	Confident	68.7	Low	37 Å²	37	59 Å²	59	20%	0.198	33%	0.331	C	S	.	.			trans	-78.7	124.4	169.4	-68.5	-35.9	0	0	0	108.8	K85 Y103 R135 E136	K85-N101 WeakPolarHBondContact CE-OD1 3.28Å; K85-N101 PolarHBondContact NZ-OD1 3.21Å; N101-Y103 HydrophobicContact CB-CE2 3.88Å; N101-R135 WeakPolarHBondContact O-CA 3.5Å; N101-E136 HydrophobicContact CB-CB 3.9Å; N101-E136 WeakPolarHBondContact CB-OE2 3.24Å; N101-E136 PolarHBondContact ND2-OE2 2.77Å; N101-E136 PolarHBondContact O-N 2.93Å
102	I	85.3	Confident	70.1	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.7	175.6	-59.9	175.4	0	0	0	107.6	M86 T88 I100 F133 W134 L151 P155 F220	M86-I102 WeakPolarHBondContact CA-O 3.45Å; M86-I102 HydrophobicContact CB-CB 4.16Å; M86-I102 HydrophobicContact CB-CG2 4.16Å; M86-I102 WeakPolarHBondContact CB-O 3.31Å; M86-I102 HydrophobicContact CG-CG2 4.33Å; M86-I102 PolarHBondContact N-O 3.47Å; T88-I102 HydrophobicContact CG2-CB 4.1Å; T88-I102 HydrophobicContact CG2-CD1 3.6Å; T88-I102 HydrophobicContact CG2-CG1 3.72Å; I100-I102 HydrophobicContact CG2-CG1 4.24Å; I102-F133 HydrophobicContact CG2-CB 4.28Å; I102-F133 HydrophobicContact CG2-CD1 3.96Å; I102-W134 CarbonylContact C-O 3.6Å; I102-W134 VanDerWaalsContact CA-O 3.29Å; I102-W134 WeakPolarHBondContact CA-O 3.38Å; I102-L151 HydrophobicContact CG2-CD1 4.18Å; I102-P155 HydrophobicContact CD1-CB 4.23Å; I102-P155 HydrophobicContact CG2-CG 4.42Å; I102-F220 HydrophobicContact CD1-CE1 3.91Å; I102-F220 HydrophobicContact CD1-CE2 4.42Å; I102-F220 HydrophobicContact CD1-CZ 3.49Å; I102-F220 VanDerWaalsContact CD1-CZ 3.49Å; I102-F220 HydrophobicContact CG1-CZ 4.48Å
103	Y	90	Very high	71.3	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.008	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.2	176.6	-61.4	-90.7	0	0	0	110	F40 F84 K85 N101 F133 W134 E136 W148	F40-Y103 HydrophobicContact CE2-CE1 4.31Å; F40-Y103 HydrophobicContact CZ-CD1 4.17Å; F40-Y103 AromaticContact CZ-CE1 3.79Å; F40-Y103 HydrophobicContact CZ-CE1 3.79Å; F84-Y103 CarbonylContact O-C 3.58Å; F84-Y103 VanDerWaalsContact O-CA 3.31Å; F84-Y103 WeakPolarHBondContact O-CA 3.49Å; K85-Y103 HydrophobicContact CB-CD1 3.95Å; K85-Y103 HydrophobicContact CB-CE1 3.75Å; K85-Y103 HydrophobicContact CD-CE1 4.27Å; K85-Y103 HydrophobicContact CG-CD1 4.31Å; K85-Y103 HydrophobicContact CG-CE1 3.87Å; N101-Y103 HydrophobicContact CB-CE2 3.88Å; Y103-F133 CarbonylContact O-C 3.55Å; Y103-F133 WeakPolarHBondContact O-CA 3.07Å; Y103-W134 PolarHBondContact N-O 3.4Å; Y103-W134 PolarHBondContact O-N 3.42Å; Y103-E136 HydrophobicContact CE2-CB 4.22Å; Y103-E136 PolarHBondContact OH-OE2 2.94Å; Y103-W148 AromaticContact CD1-CH2 3.55Å; Y103-W148 HydrophobicContact CD1-CH2 3.55Å; Y103-W148 AromaticContact CD1-CZ2 3.77Å; Y103-W148 HydrophobicContact CD1-CZ2 3.77Å; Y103-W148 HydrophobicContact CD1-CZ3 4.11Å; Y103-W148 AromaticContact CD2-CD2 3.79Å; Y103-W148 HydrophobicContact CD2-CD2 3.79Å; Y103-W148 AromaticContact CD2-CE2 3.54Å; Y103-W148 HydrophobicContact CD2-CE3 4.07Å; Y103-W148 HydrophobicContact CD2-CG 4.41Å; Y103-W148 AromaticContact CD2-CH2 3.96Å; Y103-W148 HydrophobicContact CD2-CH2 3.96Å; Y103-W148 AromaticContact CD2-CZ2 3.65Å; Y103-W148 HydrophobicContact CD2-CZ2 3.65Å; Y103-W148 HydrophobicContact CD2-CZ3 4.16Å; Y103-W148 AromaticContact CD2-NE1 3.99Å; Y103-W148 AromaticContact CE1-CH2 3.84Å; Y103-W148 HydrophobicContact CE1-CH2 3.84Å; Y103-W148 AromaticContact CE1-CZ2 3.64Å; Y103-W148 HydrophobicContact CE1-CZ2 3.64Å; Y103-W148 HydrophobicContact CE2-CD2 4.17Å; Y103-W148 AromaticContact CE2-CE2 3.46Å; Y103-W148 VanDerWaalsContact CE2-CE2 3.46Å; Y103-W148 HydrophobicContact CE2-CH2 4.23Å; Y103-W148 AromaticContact CE2-CZ2 3.51Å; Y103-W148 HydrophobicContact CE2-CZ2 3.51Å; Y103-W148 AromaticContact CE2-NE1 3.6Å; Y103-W148 HydrophobicContact CG-CD2 4.26Å; Y103-W148 HydrophobicContact CG-CE3 4.09Å; Y103-W148 AromaticContact CG-CH2 3.62Å; Y103-W148 HydrophobicContact CG-CH2 3.62Å; Y103-W148 AromaticContact CG-CZ2 3.78Å; Y103-W148 HydrophobicContact CG-CZ2 3.78Å; Y103-W148 AromaticContact CG-CZ3 3.78Å; Y103-W148 HydrophobicContact CG-CZ3 3.78Å; Y103-W148 AromaticContact CZ-CE2 3.95Å; Y103-W148 AromaticContact CZ-CZ2 3.51Å
104	F	90.5	Very high	72.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.5	170.2	-175.5	-111.2	0	0	0	108.8	A83 F84 M86 C106 L122 C131 F133 L165 S169	A83-F104 WeakPolarHBondContact CA-O 3.26Å; F84-F104 PolarHBondContact N-O 3.38Å; F84-F104 PolarHBondContact O-N 3.01Å; M86-F104 HydrophobicContact CE-CB 3.77Å; M86-F104 HydrophobicContact CG-CB 3.78Å; M86-F104 HydrophobicContact SD-CB 3.73Å; F104-C106 WeakPolarHBondContact CE1-SG 3.3Å; F104-L122 HydrophobicContact CE2-CD1 3.7Å; F104-L122 HydrophobicContact CZ-CD1 4.33Å; F104-C131 HydrophobicContact CD2-CB 4.48Å; F104-C131 HydrophobicContact CE1-CB 3.99Å; F104-C131 HydrophobicContact CE2-CB 3.61Å; F104-C131 HydrophobicContact CZ-CB 3.31Å; F104-F133 HydrophobicContact CB-CD1 4.21Å; F104-F133 HydrophobicContact CB-CE1 4.09Å; F104-F133 AromaticContact CD2-CD1 3.81Å; F104-F133 HydrophobicContact CD2-CD1 3.81Å; F104-F133 HydrophobicContact CD2-CD2 4.22Å; F104-F133 AromaticContact CD2-CE1 3.47Å; F104-F133 HydrophobicContact CD2-CE1 3.47Å; F104-F133 VanDerWaalsContact CD2-CE1 3.47Å; F104-F133 AromaticContact CD2-CE2 3.93Å; F104-F133 HydrophobicContact CD2-CE2 3.93Å; F104-F133 HydrophobicContact CD2-CG 4.17Å; F104-F133 AromaticContact CD2-CZ 3.53Å; F104-F133 HydrophobicContact CD2-CZ 3.53Å; F104-F133 HydrophobicContact CE2-CE1 4.25Å; F104-F133 AromaticContact CE2-CE2 4Å; F104-F133 HydrophobicContact CE2-CE2 4Å; F104-F133 AromaticContact CE2-CZ 3.84Å; F104-F133 HydrophobicContact CE2-CZ 3.84Å; F104-F133 HydrophobicContact CG-CE1 4.17Å; F104-L165 HydrophobicContact CB-CD1 4.5Å; F104-L165 HydrophobicContact CB-CD2 4.25Å; F104-L165 HydrophobicContact CD1-CD1 3.66Å; F104-L165 HydrophobicContact CD1-CD2 3.68Å; F104-L165 HydrophobicContact CD1-CG 3.59Å; F104-L165 HydrophobicContact CD2-CD2 4.24Å; F104-L165 HydrophobicContact CE1-CD1 4.2Å; F104-L165 HydrophobicContact CE1-CD2 3.94Å; F104-L165 HydrophobicContact CE1-CG 3.7Å; F104-L165 HydrophobicContact CE2-CD2 4.46Å; F104-L165 HydrophobicContact CG-CD1 4.34Å; F104-L165 HydrophobicContact CG-CD2 3.81Å; F104-L165 HydrophobicContact CG-CG 4.24Å; F104-L165 HydrophobicContact CZ-CD2 4.32Å; F104-L165 HydrophobicContact CZ-CG 4.44Å; F104-S169 WeakPolarHBondContact CE1-OG 3.34Å
105	V	93	Very high	73.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.5	-174	-175.5	0	0	0	0	108.9	I54 M69 W71 I80 S82 A83 C131 S132 W134 W148	I54-V105 HydrophobicContact CD1-CG1 4.11Å; M69-V105 HydrophobicContact CE-CG1 4.23Å; M69-V105 HydrophobicContact SD-CG1 4.25Å; M69-V105 HydrophobicContact SD-CG2 4.01Å; W71-V105 HydrophobicContact CE3-CG1 4.19Å; W71-V105 HydrophobicContact CZ3-CB 4.38Å; W71-V105 HydrophobicContact CZ3-CG1 4.05Å; W71-V105 WeakPolarHBondContact CZ3-O 3.49Å; I80-V105 HydrophobicContact CD1-CG1 4.36Å; I80-V105 HydrophobicContact CG1-CG1 4.39Å; I80-V105 HydrophobicContact CG2-CG1 3.64Å; S82-V105 WeakPolarHBondContact O-CA 3.27Å; A83-V105 HydrophobicContact CB-CG2 4.12Å; V105-C131 CarbonylContact O-C 3.52Å; V105-C131 VanDerWaalsContact O-CA 3.22Å; V105-C131 WeakPolarHBondContact O-CA 3.43Å; V105-S132 PolarHBondContact N-O 3.47Å; V105-S132 PolarHBondContact O-N 3.29Å; V105-W134 HydrophobicContact CG2-CG 4.09Å; V105-W148 HydrophobicContact CG2-CE3 4.43Å; V105-W148 HydrophobicContact CG2-CZ3 4.13Å
106	C	92	Very high	74.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153	176.6	-54.7	0	0	0	0	112.2	T81 S82 F104 M129 I130 C131 S169	T81-C106 PolarHBondContact N-O 3.25Å; T81-C106 PolarHBondContact OG1-O 3.13Å; S82-C106 PolarHBondContact N-O 3.4Å; S82-C106 PolarHBondContact O-N 3.3Å; S82-C106 WeakPolarHBondContact OG-CB 3.38Å; F104-C106 WeakPolarHBondContact CE1-SG 3.3Å; C106-M129 HydrophobicContact CB-CG 3.98Å; C106-M129 HydrophobicContact CB-SD 3.74Å; C106-I130 CarbonylContact C-O 3.47Å; C106-I130 WeakPolarHBondContact CA-O 3.45Å; C106-I130 WeakPolarHBondContact CB-O 3.35Å; C106-C131 HydrophobicContact CB-CB 4.03Å; C106-C131 WeakPolarHBondContact CB-SG 3.45Å; C106-C131 WeakPolarHBondContact SG-CB 3.18Å; C106-C131 CovalentContact SG-SG 2.03Å; C106-C131 PolarHBondContact SG-SG 2.63Å; C106-S169 PolarHBondContact SG-OG 3.24Å
107	G	90.2	Very high	75	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.6	176.6	0	0	0	0	0	113.5	F78 R79 Y114 I130	F78-G107 VanDerWaalsContact CE2-C 3.44Å; R79-G107 CarbonylContact O-C 3.45Å; R79-G107 WeakPolarHBondContact O-CA 3.42Å; G107-Y114 PolarHBondContact O-OH 3.22Å; G107-I130 PolarHBondContact N-O 3.38Å; G107-I130 PolarHBondContact O-N 3.35Å
108	T	87.5	Confident	76.1	Confident	2 Å²	2	64 Å²	64	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159.1	176.4	67.7	0	0	0	0	110.6	F78 R79 T81 Y114 M129 L173	F78-T108 WeakPolarHBondContact CA-O 3.37Å; R79-T108 WeakPolarHBondContact CG-O 3.49Å; R79-T108 PolarHBondContact N-O 3.28Å; R79-T108 PolarHBondContact NE-OG1 2.71Å; R79-T108 PolarHBondContact O-N 2.81Å; T81-T108 HydrophobicContact CG2-CG2 4.29Å; T108-Y114 WeakPolarHBondContact CA-OH 3.22Å; T108-M129 HydrophobicContact CG2-CB 4.23Å; T108-M129 HydrophobicContact CG2-CG 4.31Å; T108-L173 HydrophobicContact CG2-CD2 3.43Å; T108-L173 VanDerWaalsContact CG2-CD2 3.43Å
109	N	82.6	Confident	76.9	Confident	6 Å²	6	62 Å²	62	3%	0.032	31%	0.311	C	S	.	.			trans	-118.9	168.4	168.1	71.9	8.8	0	0	0	108.9	I111 H112 R113 Y114	N109-I111 PolarHBondContact O-N 3.22Å; N109-I111 PolarHBondContact OD1-N 3.31Å; N109-H112 PolarHBondContact O-N 3.01Å; N109-H112 WeakPolarHBondContact OD1-CA 3.35Å; N109-H112 PolarHBondContact OD1-N 3.28Å; N109-R113 PolarHBondContact ND2-O 3.07Å; N109-R113 PolarHBondContact OD1-N 3.38Å; N109-Y114 HydrophobicContact CB-CE1 4.35Å; N109-Y114 PolarHBondContact N-OH 2.96Å
110	Q	76	Confident	77.8	Confident	148 Å²	148	57 Å²	57	69%	0.692	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.1	-176.2	-76.3	179.2	-6.1	0	0	113.3	T77 H112	T77-Q110 HydrophobicContact CG2-CB 4.44Å; T77-Q110 HydrophobicContact CG2-CG 4.2Å; T77-Q110 PolarHBondContact OG1-N 3.18Å; Q110-H112 PolarHBondContact O-ND1 3.35Å; Q110-H112 VanDerWaalsContact O-ND1 3.17Å
111	I	73.3	Confident	78.6	Confident	124 Å²	124	56.7 Å²	56.7	64%	0.636	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-15.3	-174.9	-54.6	175.9	0	0	0	111.5	N109 R113	N109-I111 PolarHBondContact O-N 3.22Å; N109-I111 PolarHBondContact OD1-N 3.31Å; I111-R113 HydrophobicContact CG2-CB 4.07Å; I111-R113 HydrophobicContact CG2-CG 4.21Å; I111-R113 PolarHBondContact O-N 3.5Å
112	H	72.4	Confident	78.8	Confident	75 Å²	75	55 Å²	55	35%	0.347	28%	0.278	S	S	.	.			trans	54.9	32.7	-174.1	-63.1	84.7	0	0	0	112.7	N109 Q110 G128	N109-H112 PolarHBondContact O-N 3.01Å; N109-H112 WeakPolarHBondContact OD1-CA 3.35Å; N109-H112 PolarHBondContact OD1-N 3.28Å; Q110-H112 PolarHBondContact O-ND1 3.35Å; Q110-H112 VanDerWaalsContact O-ND1 3.17Å; H112-G128 WeakPolarHBondContact O-CA 3.37Å
113	R	66.8	Low	78.6	Confident	194 Å²	194	56 Å²	56	73%	0.732	28%	0.283	S	S	*	.			trans	-134.7	140.6	178.2	-70.9	-174.2	179.6	175.4	0.1	110.6	N109 I111	N109-R113 PolarHBondContact ND2-O 3.07Å; N109-R113 PolarHBondContact OD1-N 3.38Å; I111-R113 HydrophobicContact CG2-CB 4.07Å; I111-R113 HydrophobicContact CG2-CG 4.21Å; I111-R113 PolarHBondContact O-N 3.5Å
114	Y	69.6	Low	78.2	Confident	22 Å²	22	57.4 Å²	57.4	9%	0.086	29%	0.289	C	S	.	.			trans	-133.9	151.4	176.2	-51.9	-98.8	0	0	0	110.5	Y75 F78 G107 T108 N109 H123 G128 I130	Y75-Y114 AromaticContact CD2-CD1 3.66Å; Y75-Y114 HydrophobicContact CD2-CD1 3.66Å; Y75-Y114 AromaticContact CD2-CE1 3.9Å; Y75-Y114 HydrophobicContact CD2-CE1 3.9Å; Y75-Y114 AromaticContact CE2-CD1 3.39Å; Y75-Y114 HydrophobicContact CE2-CD1 3.39Å; Y75-Y114 HydrophobicContact CE2-CE1 4.11Å; Y75-Y114 HydrophobicContact CE2-CG 4.32Å; Y75-Y114 HydrophobicContact CG-CD1 4.46Å; Y75-Y114 AromaticContact CZ-CD1 3.93Å; F78-Y114 HydrophobicContact CD2-CE1 4.17Å; F78-Y114 HydrophobicContact CE2-CE1 4.39Å; G107-Y114 PolarHBondContact O-OH 3.22Å; T108-Y114 WeakPolarHBondContact CA-OH 3.22Å; N109-Y114 HydrophobicContact CB-CE1 4.35Å; N109-Y114 PolarHBondContact N-OH 2.96Å; Y114-H123 WeakPolarHBondContact CB-NE2 3.2Å; Y114-H123 AromaticContact CD2-CD2 3.76Å; Y114-H123 AromaticContact CD2-NE2 3.44Å; Y114-H123 WeakPolarHBondContact CD2-NE2 3.4Å; Y114-H123 AromaticContact CG-NE2 3.81Å; Y114-H123 PolarHBondContact O-CE1 2.93Å; Y114-G128 WeakPolarHBondContact CE2-O 3.37Å; Y114-I130 HydrophobicContact CD1-CB 4.42Å; Y114-I130 HydrophobicContact CD1-CD1 3.82Å; Y114-I130 HydrophobicContact CD1-CG1 4.09Å; Y114-I130 HydrophobicContact CD1-CG2 3.51Å; Y114-I130 HydrophobicContact CD2-CG2 3.69Å; Y114-I130 HydrophobicContact CE1-CB 4.31Å; Y114-I130 HydrophobicContact CE1-CD1 3.57Å; Y114-I130 HydrophobicContact CE1-CG1 3.61Å; Y114-I130 HydrophobicContact CE1-CG2 3.81Å; Y114-I130 HydrophobicContact CE2-CG2 3.98Å; Y114-I130 HydrophobicContact CG-CG2 3.46Å; Y114-I130 VanDerWaalsContact CG-CG2 3.46Å
115	T	67.9	Low	77.3	Confident	96 Å²	96	64.3 Å²	64.3	59%	0.589	32%	0.321	S	S	*	.			trans	-97.9	142.2	166.8	52.8	0	0	0	0	107.3	Y75 I117	Y75-T115 PolarHBondContact OH-N 2.99Å; Y75-T115 PolarHBondContact OH-O 3.3Å; Y75-T115 PolarHBondContact OH-OG1 3.28Å; T115-I117 WeakPolarHBondContact O-CG1 3.33Å; T115-I117 PolarHBondContact O-N 3.47Å; T115-I117 VanDerWaalsContact O-N 3.11Å
116	L	63.3	Low	76.4	Confident	146 Å²	146	73.6 Å²	73.6	76%	0.764	37%	0.365	S	S	*	.			trans	-67.1	110.8	178.2	-160.9	90.5	0	0	0	109.4
117	I	61.9	Low	75.5	Confident	100 Å²	100	75.7 Å²	75.7	51%	0.513	38%	0.375	S	S	.	.			trans	-102.1	-41.6	-179.8	-47.7	-178.8	0	0	0	111.2	Y75 T115	Y75-I117 HydrophobicContact CE2-CD1 4.11Å; T115-I117 WeakPolarHBondContact O-CG1 3.33Å; T115-I117 PolarHBondContact O-N 3.47Å; T115-I117 VanDerWaalsContact O-N 3.11Å
118	Q	71	Confident	75.1	Confident	88 Å²	88	75.8 Å²	75.8	41%	0.411	38%	0.376	S	S	.	.			trans	-142	148.6	-170.6	-57	175.3	-25.4	0	0	111.9	N120 V121	Q118-N120 WeakPolarHBondContact CB-OD1 3.25Å; Q118-N120 PolarHBondContact OE1-OD1 2.98Å; Q118-V121 HydrophobicContact CB-CG2 4.17Å; Q118-V121 PolarHBondContact O-N 3.38Å
119	S	71.4	Confident	75	Confident	115 Å²	115	75.7 Å²	75.7	80%	0.804	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-21.6	-177.8	52.9	0	0	0	0	114.4
120	N	79.3	Confident	75.3	Confident	10 Å²	10	75.9 Å²	75.9	5%	0.053	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2	177.8	65.8	-29.5	0	0	0	113.8	Q118 S132 Q150 L151 N152	Q118-N120 WeakPolarHBondContact CB-OD1 3.25Å; Q118-N120 PolarHBondContact OE1-OD1 2.98Å; N120-S132 PolarHBondContact O-OG 3.38Å; N120-S132 VanDerWaalsContact O-OG 3.05Å; N120-Q150 PolarHBondContact ND2-NE2 2.9Å; N120-L151 VanDerWaalsContact CB-O 3.3Å; N120-L151 WeakPolarHBondContact CB-O 3.44Å; N120-L151 PolarHBondContact ND2-O 3.28Å; N120-N152 WeakPolarHBondContact CB-O 3.48Å
121	V	85.9	Confident	76.1	Confident	24 Å²	24	68.9 Å²	68.9	15%	0.145	34%	0.344	C	S	.	.	S	Bend	trans	-100.7	124.1	174.1	179.7	0	0	0	0	109.1	W71 Q118 I130	W71-V121 HydrophobicContact CZ2-CG1 4.24Å; Q118-V121 HydrophobicContact CB-CG2 4.17Å; Q118-V121 PolarHBondContact O-N 3.38Å; V121-I130 HydrophobicContact CG1-CB 3.95Å; V121-I130 HydrophobicContact CG1-CD1 4.41Å; V121-I130 HydrophobicContact CG1-CG2 4.3Å
122	L	84.5	Confident	76.9	Confident	3 Å²	3	63 Å²	63	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.9	179.1	-61.6	161.3	0	0	0	109	F104 F124 I130 C131 F133 L154 K158 I161	F104-L122 HydrophobicContact CE2-CD1 3.7Å; F104-L122 HydrophobicContact CZ-CD1 4.33Å; L122-F124 HydrophobicContact CB-CE2 3.97Å; L122-F124 HydrophobicContact CB-CZ 4.25Å; L122-I130 CarbonylContact O-C 3.53Å; L122-I130 VanDerWaalsContact O-CA 3.32Å; L122-I130 WeakPolarHBondContact O-CA 3.44Å; L122-C131 HydrophobicContact CB-CB 4.29Å; L122-C131 WeakPolarHBondContact CB-O 3.47Å; L122-C131 PolarHBondContact N-O 3.13Å; L122-C131 PolarHBondContact O-N 2.69Å; L122-F133 HydrophobicContact CD1-CD2 4.42Å; L122-F133 HydrophobicContact CD1-CE2 3.84Å; L122-L154 HydrophobicContact CD1-CD2 4.46Å; L122-L154 HydrophobicContact CD2-CD1 4.05Å; L122-L154 HydrophobicContact CD2-CD2 4.48Å; L122-L154 HydrophobicContact CG-CD2 4.35Å; L122-K158 HydrophobicContact CD2-CB 4.03Å; L122-K158 HydrophobicContact CD2-CD 3.91Å; L122-K158 HydrophobicContact CD2-CG 3.74Å; L122-I161 HydrophobicContact CD1-CD1 3.26Å; L122-I161 HydrophobicContact CD2-CD1 3.79Å; L122-I161 HydrophobicContact CG-CD1 4.15Å
123	H	82.3	Confident	77.8	Confident	21 Å²	21	59.4 Å²	59.4	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.3	177.1	-172.2	-148.4	0	0	0	111	Y114 E125	Y114-H123 WeakPolarHBondContact CB-NE2 3.2Å; Y114-H123 AromaticContact CD2-CD2 3.76Å; Y114-H123 AromaticContact CD2-NE2 3.44Å; Y114-H123 WeakPolarHBondContact CD2-NE2 3.4Å; Y114-H123 AromaticContact CG-NE2 3.81Å; Y114-H123 PolarHBondContact O-CE1 2.93Å; H123-E125 WeakPolarHBondContact CE1-CG 3.37Å; H123-E125 IonicContact CE1-OE1 3.94Å; H123-E125 PolarHBondContact CE1-OE1 3.47Å; H123-E125 VanDerWaalsContact CE1-OE1 3.3Å; H123-E125 WeakPolarHBondContact ND1-CG 3.46Å; H123-E125 IonicContact ND1-OE1 2.89Å; H123-E125 PolarHBondContact ND1-OE1 3.45Å
124	F	80.5	Confident	79	Confident	32 Å²	32	50.7 Å²	50.7	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	84.7	172.7	-59.2	-77.2	0	0	0	109	L122 E126 L127 G128 M129 C131 I166	L122-F124 HydrophobicContact CB-CE2 3.97Å; L122-F124 HydrophobicContact CB-CZ 4.25Å; F124-E126 PolarHBondContact O-N 3Å; F124-L127 HydrophobicContact CB-CB 3.92Å; F124-L127 HydrophobicContact CB-CD1 3.84Å; F124-L127 HydrophobicContact CB-CG 4.02Å; F124-L127 HydrophobicContact CD1-CD1 4.49Å; F124-L127 HydrophobicContact CG-CD1 4.22Å; F124-L127 CarbonylContact O-C 3.4Å; F124-L127 PolarHBondContact O-N 3.4Å; F124-G128 PolarHBondContact O-N 2.75Å; F124-M129 HydrophobicContact CD2-CE 4.19Å; F124-M129 PolarHBondContact N-O 3.07Å; F124-M129 PolarHBondContact O-N 3.24Å; F124-C131 HydrophobicContact CE2-CB 4.06Å; F124-I166 HydrophobicContact CD1-CG2 4.22Å; F124-I166 HydrophobicContact CE1-CD1 3.49Å; F124-I166 VanDerWaalsContact CE1-CD1 3.49Å; F124-I166 HydrophobicContact CE1-CG1 3.93Å; F124-I166 HydrophobicContact CE1-CG2 4.06Å; F124-I166 HydrophobicContact CZ-CD1 3.72Å; F124-I166 HydrophobicContact CZ-CG1 3.71Å; F124-I166 HydrophobicContact CZ-CG2 4.24Å
125	E	73.1	Confident	79.9	Confident	145 Å²	145	52.6 Å²	52.6	68%	0.678	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-55.4	-48.9	-175.1	-79.6	179.4	-168	0	0	113.1	H123 L127 G128	H123-E125 WeakPolarHBondContact CE1-CG 3.37Å; H123-E125 IonicContact CE1-OE1 3.94Å; H123-E125 PolarHBondContact CE1-OE1 3.47Å; H123-E125 VanDerWaalsContact CE1-OE1 3.3Å; H123-E125 WeakPolarHBondContact ND1-CG 3.46Å; H123-E125 IonicContact ND1-OE1 2.89Å; H123-E125 PolarHBondContact ND1-OE1 3.45Å; E125-L127 PolarHBondContact O-N 3.2Å; E125-L127 VanDerWaalsContact O-N 3.12Å; E125-G128 PolarHBondContact O-N 3.13Å; E125-G128 VanDerWaalsContact O-N 3.09Å
126	E	72.6	Confident	80.8	Confident	195 Å²	195	50.2 Å²	50.2	91%	0.911	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.6	-24.7	-179.9	-61.8	178.7	177.1	0	0	112.4	F124	F124-E126 PolarHBondContact O-N 3Å
127	L	73.5	Confident	81.8	Confident	43 Å²	43	46.8 Å²	46.8	23%	0.225	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-99.7	-11.2	-177.6	-54	-175.9	0	0	0	112.8	F124 E125 M129 I166 R170	F124-L127 HydrophobicContact CB-CB 3.92Å; F124-L127 HydrophobicContact CB-CD1 3.84Å; F124-L127 HydrophobicContact CB-CG 4.02Å; F124-L127 HydrophobicContact CD1-CD1 4.49Å; F124-L127 HydrophobicContact CG-CD1 4.22Å; F124-L127 CarbonylContact O-C 3.4Å; F124-L127 PolarHBondContact O-N 3.4Å; E125-L127 PolarHBondContact O-N 3.2Å; E125-L127 VanDerWaalsContact O-N 3.12Å; L127-M129 HydrophobicContact CB-CB 4.19Å; L127-M129 HydrophobicContact CD1-CE 4.11Å; L127-M129 PolarHBondContact O-N 3.29Å; L127-I166 HydrophobicContact CD1-CG2 3.77Å; L127-R170 HydrophobicContact CD1-CG 3.87Å; L127-R170 VanDerWaalsContact CD2-CZ 3.46Å; L127-R170 VanDerWaalsContact CD2-NE 3.34Å
128	G	81	Confident	82.5	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	38.7	-171.8	0	0	0	0	0	113	H112 Y114 F124 E125	H112-G128 WeakPolarHBondContact O-CA 3.37Å; Y114-G128 WeakPolarHBondContact CE2-O 3.37Å; F124-G128 PolarHBondContact O-N 2.75Å; E125-G128 PolarHBondContact O-N 3.13Å; E125-G128 VanDerWaalsContact O-N 3.09Å
129	M	86.3	Confident	82.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.4	-174.7	-175.9	173.3	63.8	0	0	110.8	C106 T108 F124 L127 I166 R170	C106-M129 HydrophobicContact CB-CG 3.98Å; C106-M129 HydrophobicContact CB-SD 3.74Å; T108-M129 HydrophobicContact CG2-CB 4.23Å; T108-M129 HydrophobicContact CG2-CG 4.31Å; F124-M129 HydrophobicContact CD2-CE 4.19Å; F124-M129 PolarHBondContact N-O 3.07Å; F124-M129 PolarHBondContact O-N 3.24Å; L127-M129 HydrophobicContact CB-CB 4.19Å; L127-M129 HydrophobicContact CD1-CE 4.11Å; L127-M129 PolarHBondContact O-N 3.29Å; M129-I166 HydrophobicContact CE-CG2 4.41Å; M129-R170 HydrophobicContact CE-CG 4.07Å
130	I	89.3	Confident	82.2	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.6	167.8	57.3	169.9	0	0	0	110.4	W71 F78 C106 G107 Y114 V121 L122	W71-I130 HydrophobicContact CH2-CD1 4.32Å; W71-I130 HydrophobicContact CH2-CG1 4.16Å; W71-I130 HydrophobicContact CZ2-CD1 3.83Å; W71-I130 HydrophobicContact CZ2-CG1 4.15Å; F78-I130 HydrophobicContact CD2-CD1 4.15Å; F78-I130 HydrophobicContact CD2-CG1 4.37Å; F78-I130 HydrophobicContact CE2-CD1 3.51Å; F78-I130 HydrophobicContact CE2-CG1 3.45Å; F78-I130 VanDerWaalsContact CE2-CG1 3.45Å; F78-I130 HydrophobicContact CZ-CD1 3.96Å; F78-I130 HydrophobicContact CZ-CG1 4.01Å; C106-I130 CarbonylContact C-O 3.47Å; C106-I130 WeakPolarHBondContact CA-O 3.45Å; C106-I130 WeakPolarHBondContact CB-O 3.35Å; G107-I130 PolarHBondContact N-O 3.38Å; G107-I130 PolarHBondContact O-N 3.35Å; Y114-I130 HydrophobicContact CD1-CB 4.42Å; Y114-I130 HydrophobicContact CD1-CD1 3.82Å; Y114-I130 HydrophobicContact CD1-CG1 4.09Å; Y114-I130 HydrophobicContact CD1-CG2 3.51Å; Y114-I130 HydrophobicContact CD2-CG2 3.69Å; Y114-I130 HydrophobicContact CE1-CB 4.31Å; Y114-I130 HydrophobicContact CE1-CD1 3.57Å; Y114-I130 HydrophobicContact CE1-CG1 3.61Å; Y114-I130 HydrophobicContact CE1-CG2 3.81Å; Y114-I130 HydrophobicContact CE2-CG2 3.98Å; Y114-I130 HydrophobicContact CG-CG2 3.46Å; Y114-I130 VanDerWaalsContact CG-CG2 3.46Å; V121-I130 HydrophobicContact CG1-CB 3.95Å; V121-I130 HydrophobicContact CG1-CD1 4.41Å; V121-I130 HydrophobicContact CG1-CG2 4.3Å; L122-I130 CarbonylContact O-C 3.53Å; L122-I130 VanDerWaalsContact O-CA 3.32Å; L122-I130 WeakPolarHBondContact O-CA 3.44Å
131	C	91.3	Very high	81.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.6	179.1	-57.4	0	0	0	0	111.4	F104 V105 C106 L122 F124	F104-C131 HydrophobicContact CD2-CB 4.48Å; F104-C131 HydrophobicContact CE1-CB 3.99Å; F104-C131 HydrophobicContact CE2-CB 3.61Å; F104-C131 HydrophobicContact CZ-CB 3.31Å; V105-C131 CarbonylContact O-C 3.52Å; V105-C131 VanDerWaalsContact O-CA 3.22Å; V105-C131 WeakPolarHBondContact O-CA 3.43Å; C106-C131 HydrophobicContact CB-CB 4.03Å; C106-C131 WeakPolarHBondContact CB-SG 3.45Å; C106-C131 WeakPolarHBondContact SG-CB 3.18Å; C106-C131 CovalentContact SG-SG 2.03Å; C106-C131 PolarHBondContact SG-SG 2.63Å; L122-C131 HydrophobicContact CB-CB 4.29Å; L122-C131 WeakPolarHBondContact CB-O 3.47Å; L122-C131 PolarHBondContact N-O 3.13Å; L122-C131 PolarHBondContact O-N 2.69Å; F124-C131 HydrophobicContact CE2-CB 4.06Å
132	S	91	Very high	80.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.1	171.4	-161.3	0	0	0	0	110.7	V105 N120 Q150	V105-S132 PolarHBondContact N-O 3.47Å; V105-S132 PolarHBondContact O-N 3.29Å; N120-S132 PolarHBondContact O-OG 3.38Å; N120-S132 VanDerWaalsContact O-OG 3.05Å; S132-Q150 WeakPolarHBondContact OG-CG 3.24Å; S132-Q150 PolarHBondContact OG-NE2 3.42Å; S132-Q150 VanDerWaalsContact OG-NE2 3.08Å
133	F	90.8	Very high	79.5	Confident	1 Å²	1	67 Å²	67	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.5	175.9	-66.3	-89.2	0	0	0	110.1	M86 I102 Y103 F104 L122 L151 L154 P155 Y156 I161	M86-F133 HydrophobicContact CG-CD1 4.14Å; M86-F133 HydrophobicContact CG-CE1 3.95Å; M86-F133 HydrophobicContact SD-CE1 4.18Å; I102-F133 HydrophobicContact CG2-CB 4.28Å; I102-F133 HydrophobicContact CG2-CD1 3.96Å; Y103-F133 CarbonylContact O-C 3.55Å; Y103-F133 WeakPolarHBondContact O-CA 3.07Å; F104-F133 HydrophobicContact CB-CD1 4.21Å; F104-F133 HydrophobicContact CB-CE1 4.09Å; F104-F133 AromaticContact CD2-CD1 3.81Å; F104-F133 HydrophobicContact CD2-CD1 3.81Å; F104-F133 HydrophobicContact CD2-CD2 4.22Å; F104-F133 AromaticContact CD2-CE1 3.47Å; F104-F133 HydrophobicContact CD2-CE1 3.47Å; F104-F133 VanDerWaalsContact CD2-CE1 3.47Å; F104-F133 AromaticContact CD2-CE2 3.93Å; F104-F133 HydrophobicContact CD2-CE2 3.93Å; F104-F133 HydrophobicContact CD2-CG 4.17Å; F104-F133 AromaticContact CD2-CZ 3.53Å; F104-F133 HydrophobicContact CD2-CZ 3.53Å; F104-F133 HydrophobicContact CE2-CE1 4.25Å; F104-F133 AromaticContact CE2-CE2 4Å; F104-F133 HydrophobicContact CE2-CE2 4Å; F104-F133 AromaticContact CE2-CZ 3.84Å; F104-F133 HydrophobicContact CE2-CZ 3.84Å; F104-F133 HydrophobicContact CG-CE1 4.17Å; L122-F133 HydrophobicContact CD1-CD2 4.42Å; L122-F133 HydrophobicContact CD1-CE2 3.84Å; F133-L151 HydrophobicContact CB-CB 4.43Å; F133-L151 HydrophobicContact CB-CD1 3.82Å; F133-L151 WeakPolarHBondContact O-CB 3.18Å; F133-L151 PolarHBondContact O-N 3.4Å; F133-L154 HydrophobicContact CD2-CD2 3.71Å; F133-L154 HydrophobicContact CE2-CD2 4.06Å; F133-P155 HydrophobicContact CB-CG 4.04Å; F133-P155 HydrophobicContact CD1-CG 3.67Å; F133-P155 HydrophobicContact CD2-CG 3.95Å; F133-P155 HydrophobicContact CE1-CG 4.03Å; F133-P155 HydrophobicContact CE2-CG 4.26Å; F133-P155 HydrophobicContact CG-CG 3.62Å; F133-P155 HydrophobicContact CZ-CG 4.31Å; F133-Y156 AromaticContact CE1-CD2 3.83Å; F133-Y156 HydrophobicContact CE1-CD2 3.83Å; F133-Y156 HydrophobicContact CE1-CE2 4.25Å; F133-Y156 AromaticContact CZ-CD2 3.85Å; F133-Y156 HydrophobicContact CZ-CD2 3.85Å; F133-I161 HydrophobicContact CE2-CD1 4.37Å
134	W	92.3	Very high	78.9	Confident	10 Å²	10	71.5 Å²	71.5	4%	0.038	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.8	-177.2	-65.8	76.5	0	0	0	108.3	M69 W71 I102 Y103 V105 W148 I149 Q150	M69-W134 HydrophobicContact CB-CE3 4.04Å; M69-W134 HydrophobicContact CB-CZ3 3.93Å; M69-W134 HydrophobicContact CE-CD2 3.81Å; M69-W134 VanDerWaalsContact CE-CE2 3.43Å; M69-W134 HydrophobicContact CE-CE3 4.02Å; M69-W134 HydrophobicContact CE-CH2 3.62Å; M69-W134 HydrophobicContact CE-CZ2 3.36Å; M69-W134 HydrophobicContact CE-CZ3 3.93Å; M69-W134 HydrophobicContact SD-CD2 3.91Å; M69-W134 HydrophobicContact SD-CE3 4.09Å; M69-W134 HydrophobicContact SD-CG 4.29Å; M69-W134 HydrophobicContact SD-CZ3 4.48Å; W71-W134 HydrophobicContact CB-CZ2 4.28Å; W71-W134 HydrophobicContact CD2-CZ2 4.15Å; W71-W134 HydrophobicContact CE3-CZ2 4.48Å; W71-W134 HydrophobicContact CG-CZ2 4.07Å; I102-W134 CarbonylContact C-O 3.6Å; I102-W134 VanDerWaalsContact CA-O 3.29Å; I102-W134 WeakPolarHBondContact CA-O 3.38Å; Y103-W134 PolarHBondContact N-O 3.4Å; Y103-W134 PolarHBondContact O-N 3.42Å; V105-W134 HydrophobicContact CG2-CG 4.09Å; W134-W148 HydrophobicContact CB-CB 4.14Å; W134-W148 HydrophobicContact CB-CE3 4.38Å; W134-W148 HydrophobicContact CE3-CB 4.11Å; W134-I149 CarbonylContact C-O 3.54Å; W134-I149 VanDerWaalsContact CA-O 3.3Å; W134-I149 WeakPolarHBondContact CA-O 3.28Å; W134-I149 VanDerWaalsContact CE3-C 3.47Å; W134-Q150 HydrophobicContact CD2-CB 4.09Å; W134-Q150 HydrophobicContact CD2-CG 4.46Å; W134-Q150 HydrophobicContact CE3-CB 4Å; W134-Q150 HydrophobicContact CH2-CB 3.76Å; W134-Q150 HydrophobicContact CH2-CG 4.37Å; W134-Q150 HydrophobicContact CZ2-CB 3.86Å; W134-Q150 HydrophobicContact CZ2-CG 3.98Å; W134-Q150 HydrophobicContact CZ3-CB 3.84Å
135	R	89.3	Confident	78.5	Confident	62 Å²	62	71.3 Å²	71.3	23%	0.234	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	146.5	171.3	69.7	171.5	-155.1	178.8	6.2	109.6	I100 N101 E137 W148 I149 L151 E224	I100-R135 HydrophobicContact CG2-CB 4.02Å; N101-R135 WeakPolarHBondContact O-CA 3.5Å; R135-E137 IonicContact CZ-OE1 2.94Å; R135-E137 IonicContact NH2-OE1 2.76Å; R135-E137 PolarHBondContact NH2-OE1 3.08Å; R135-W148 CarbonylContact O-C 3.47Å; R135-W148 WeakPolarHBondContact O-CA 3.36Å; R135-I149 HydrophobicContact CG-CB 4.38Å; R135-I149 PolarHBondContact N-O 3.4Å; R135-I149 PolarHBondContact O-N 3.27Å; R135-L151 HydrophobicContact CB-CD2 3.89Å; R135-L151 HydrophobicContact CB-CG 4.27Å; R135-L151 HydrophobicContact CG-CD2 3.83Å; R135-E224 WeakPolarHBondContact CD-OE2 3.41Å; R135-E224 IonicContact CZ-OE2 3.49Å; R135-E224 IonicContact NE-OE2 3.18Å; R135-E224 IonicContact NH1-OE1 3.81Å; R135-E224 IonicContact NH1-OE2 2.66Å; R135-E224 PolarHBondContact NH1-OE2 2.9Å
136	E	87.1	Confident	79	Confident	47 Å²	47	66.7 Å²	66.7	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.6	166.3	-166.2	168.3	172.7	0	0	109.6	N101 Y103 N146	N101-E136 HydrophobicContact CB-CB 3.9Å; N101-E136 WeakPolarHBondContact CB-OE2 3.24Å; N101-E136 PolarHBondContact ND2-OE2 2.77Å; N101-E136 PolarHBondContact O-N 2.93Å; Y103-E136 HydrophobicContact CE2-CB 4.22Å; Y103-E136 PolarHBondContact OH-OE2 2.94Å; E136-N146 HydrophobicContact CG-CB 3.32Å; E136-N146 VanDerWaalsContact OE1-CB 3.28Å; E136-N146 WeakPolarHBondContact OE1-CB 3.27Å; E136-N146 PolarHBondContact OE1-ND2 2.61Å
137	E	83	Confident	79.6	Confident	74 Å²	74	60.1 Å²	60.1	35%	0.346	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.1	174.3	-176.9	168.7	-99.6	0	0	109.6	R135 S139 N146 T147 I149	R135-E137 IonicContact CZ-OE1 2.94Å; R135-E137 IonicContact NH2-OE1 2.76Å; R135-E137 PolarHBondContact NH2-OE1 3.08Å; E137-S139 PolarHBondContact O-N 2.78Å; E137-N146 WeakPolarHBondContact O-CA 3.18Å; E137-N146 WeakPolarHBondContact O-CB 3.23Å; E137-T147 PolarHBondContact N-O 2.95Å; E137-T147 PolarHBondContact O-N 2.86Å; E137-I149 HydrophobicContact CB-CD1 3.99Å; E137-I149 HydrophobicContact CB-CG1 4.36Å; E137-I149 HydrophobicContact CG-CD1 4.25Å; E137-I149 WeakPolarHBondContact OE1-CD1 3.36Å; E137-I149 WeakPolarHBondContact OE2-CD1 3.41Å
138	E	76.2	Confident	80.4	Confident	143 Å²	143	58.5 Å²	58.5	67%	0.668	29%	0.286	S	S	*	.			trans	-64.2	126	-178.7	-163.1	172.9	-175	0	0	110.7	N146	E138-N146 VanDerWaalsContact CA-OD1 3.3Å; E138-N146 WeakPolarHBondContact CA-OD1 3.48Å
139	S	70.6	Confident	80.8	Confident	27 Å²	27	61.4 Å²	61.4	19%	0.189	30%	0.301	C	S	.	.			trans	-68.8	140.1	179.7	-171.8	0	0	0	0	111.1	E137 S141 Q144 N146	E137-S139 PolarHBondContact O-N 2.78Å; S139-S141 PolarHBondContact O-N 2.84Å; S139-S141 PolarHBondContact OG-N 3.22Å; S139-Q144 VanDerWaalsContact CB-O 3.3Å; S139-Q144 WeakPolarHBondContact CB-O 3.05Å; S139-Q144 WeakPolarHBondContact OG-CB 3.4Å; S139-N146 PolarHBondContact N-OD1 3.27Å; S139-N146 VanDerWaalsContact N-OD1 3.15Å
140	T	66.5	Low	81	Confident	154 Å²	154	63.1 Å²	63.1	95%	0.945	31%	0.309	S	S	*	.	S	Bend	trans	-67.1	-18.8	170.8	56.5	0	0	0	0	112.4
141	S	65.3	Low	80.8	Confident	39 Å²	39	63 Å²	63	27%	0.273	31%	0.308	S	S	.	.	S	Bend	trans	-97.6	122.2	177	175.7	0	0	0	0	110.3	S139 Y143 Q144	S139-S141 PolarHBondContact O-N 2.84Å; S139-S141 PolarHBondContact OG-N 3.22Å; S141-Y143 PolarHBondContact O-N 3.49Å; S141-Y143 PolarHBondContact OG-N 3.16Å; S141-Q144 PolarHBondContact O-N 3Å
142	K	64.4	Low	80.4	Confident	202 Å²	202	69.1 Å²	69.1	88%	0.878	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.8	172.7	-163.9	175.5	-178.4	179	0	113.8
143	Y	64.1	Low	79.9	Confident	199 Å²	199	72.3 Å²	72.3	78%	0.78	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-6.6	-177.4	-59.3	-76.2	0	0	0	114.2	S141	S141-Y143 PolarHBondContact O-N 3.49Å; S141-Y143 PolarHBondContact OG-N 3.16Å
144	Q	68.3	Low	79.5	Confident	115 Å²	115	74 Å²	74	54%	0.537	37%	0.367	S	S	.	.	S	Bend	trans	-106.2	137.4	176.1	-73.3	-175	-5.6	0	0	109.4	S139 S141	S139-Q144 VanDerWaalsContact CB-O 3.3Å; S139-Q144 WeakPolarHBondContact CB-O 3.05Å; S139-Q144 WeakPolarHBondContact OG-CB 3.4Å; S141-Q144 PolarHBondContact O-N 3Å
145	P	73.4	Confident	78.7	Confident	29 Å²	29	73.6 Å²	73.6	19%	0.188	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-66.5	162.3	170.4	30.2	-33	0	0	0	110.2	M56 F66 T147	M56-P145 HydrophobicContact CE-CB 3.5Å; M56-P145 VanDerWaalsContact CE-CB 3.5Å; M56-P145 HydrophobicContact CE-CG 3.61Å; M56-P145 HydrophobicContact SD-CB 3.68Å; M56-P145 HydrophobicContact SD-CG 4.21Å; F66-P145 HydrophobicContact CB-CG 3.25Å; F66-P145 HydrophobicContact CD1-CG 3.86Å; F66-P145 HydrophobicContact CD2-CG 3.7Å; F66-P145 HydrophobicContact CE2-CG 4.47Å; F66-P145 HydrophobicContact CG-CG 3.32Å; P145-T147 PolarHBondContact O-N 3.48Å
146	N	81.7	Confident	78.1	Confident	48 Å²	48	71.7 Å²	71.7	26%	0.257	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-62	132.6	176.6	-61.6	-15.3	0	0	0	110	E136 E137 E138 S139	E136-N146 HydrophobicContact CG-CB 3.32Å; E136-N146 VanDerWaalsContact OE1-CB 3.28Å; E136-N146 WeakPolarHBondContact OE1-CB 3.27Å; E136-N146 PolarHBondContact OE1-ND2 2.61Å; E137-N146 WeakPolarHBondContact O-CA 3.18Å; E137-N146 WeakPolarHBondContact O-CB 3.23Å; E138-N146 VanDerWaalsContact CA-OD1 3.3Å; E138-N146 WeakPolarHBondContact CA-OD1 3.48Å; S139-N146 PolarHBondContact N-OD1 3.27Å; S139-N146 VanDerWaalsContact N-OD1 3.15Å
147	T	86.6	Confident	77.2	Confident	56 Å²	56	73.6 Å²	73.6	34%	0.344	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	156.2	172.1	50.7	0	0	0	0	108.8	V68 E137 P145	V68-T147 CarbonylContact O-C 3.59Å; V68-T147 WeakPolarHBondContact O-CA 3.27Å; E137-T147 PolarHBondContact N-O 2.95Å; E137-T147 PolarHBondContact O-N 2.86Å; P145-T147 PolarHBondContact O-N 3.48Å
148	W	90.8	Very high	76.4	Confident	9 Å²	9	75.6 Å²	75.6	3%	0.034	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.9	171.5	-53.1	-11.2	0	0	0	111	F40 F47 I54 V68 M69 Y103 V105 W134 R135	F40-W148 HydrophobicContact CE1-CH2 4.1Å; F40-W148 AromaticContact CZ-CH2 3.79Å; F40-W148 HydrophobicContact CZ-CH2 3.79Å; F40-W148 HydrophobicContact CZ-CZ2 4.15Å; F47-W148 HydrophobicContact CD1-CH2 4.24Å; F47-W148 HydrophobicContact CD1-CZ2 4.01Å; F47-W148 HydrophobicContact CE1-CH2 4.35Å; F47-W148 AromaticContact CE1-CZ2 3.67Å; F47-W148 HydrophobicContact CE1-CZ2 3.67Å; F47-W148 HydrophobicContact CZ-CZ2 4.33Å; I54-W148 HydrophobicContact CD1-CZ3 4.08Å; V68-W148 HydrophobicContact CG1-CB 4.25Å; V68-W148 HydrophobicContact CG1-CD2 3.51Å; V68-W148 VanDerWaalsContact CG1-CE2 3.44Å; V68-W148 HydrophobicContact CG1-CE3 4.3Å; V68-W148 HydrophobicContact CG1-CG 3.44Å; V68-W148 VanDerWaalsContact CG1-CG 3.44Å; V68-W148 HydrophobicContact CG1-CZ2 4.16Å; V68-W148 VanDerWaalsContact CG1-NE1 3.32Å; V68-W148 PolarHBondContact O-N 3Å; M69-W148 HydrophobicContact CB-CB 4.12Å; M69-W148 HydrophobicContact CG-CE3 4.02Å; M69-W148 HydrophobicContact SD-CE3 3.62Å; M69-W148 HydrophobicContact SD-CZ3 4.1Å; Y103-W148 AromaticContact CD1-CH2 3.55Å; Y103-W148 HydrophobicContact CD1-CH2 3.55Å; Y103-W148 AromaticContact CD1-CZ2 3.77Å; Y103-W148 HydrophobicContact CD1-CZ2 3.77Å; Y103-W148 HydrophobicContact CD1-CZ3 4.11Å; Y103-W148 AromaticContact CD2-CD2 3.79Å; Y103-W148 HydrophobicContact CD2-CD2 3.79Å; Y103-W148 AromaticContact CD2-CE2 3.54Å; Y103-W148 HydrophobicContact CD2-CE3 4.07Å; Y103-W148 HydrophobicContact CD2-CG 4.41Å; Y103-W148 AromaticContact CD2-CH2 3.96Å; Y103-W148 HydrophobicContact CD2-CH2 3.96Å; Y103-W148 AromaticContact CD2-CZ2 3.65Å; Y103-W148 HydrophobicContact CD2-CZ2 3.65Å; Y103-W148 HydrophobicContact CD2-CZ3 4.16Å; Y103-W148 AromaticContact CD2-NE1 3.99Å; Y103-W148 AromaticContact CE1-CH2 3.84Å; Y103-W148 HydrophobicContact CE1-CH2 3.84Å; Y103-W148 AromaticContact CE1-CZ2 3.64Å; Y103-W148 HydrophobicContact CE1-CZ2 3.64Å; Y103-W148 HydrophobicContact CE2-CD2 4.17Å; Y103-W148 AromaticContact CE2-CE2 3.46Å; Y103-W148 VanDerWaalsContact CE2-CE2 3.46Å; Y103-W148 HydrophobicContact CE2-CH2 4.23Å; Y103-W148 AromaticContact CE2-CZ2 3.51Å; Y103-W148 HydrophobicContact CE2-CZ2 3.51Å; Y103-W148 AromaticContact CE2-NE1 3.6Å; Y103-W148 HydrophobicContact CG-CD2 4.26Å; Y103-W148 HydrophobicContact CG-CE3 4.09Å; Y103-W148 AromaticContact CG-CH2 3.62Å; Y103-W148 HydrophobicContact CG-CH2 3.62Å; Y103-W148 AromaticContact CG-CZ2 3.78Å; Y103-W148 HydrophobicContact CG-CZ2 3.78Å; Y103-W148 AromaticContact CG-CZ3 3.78Å; Y103-W148 HydrophobicContact CG-CZ3 3.78Å; Y103-W148 AromaticContact CZ-CE2 3.95Å; Y103-W148 AromaticContact CZ-CZ2 3.51Å; V105-W148 HydrophobicContact CG2-CE3 4.43Å; V105-W148 HydrophobicContact CG2-CZ3 4.13Å; W134-W148 HydrophobicContact CB-CB 4.14Å; W134-W148 HydrophobicContact CB-CE3 4.38Å; W134-W148 HydrophobicContact CE3-CB 4.11Å; R135-W148 CarbonylContact O-C 3.47Å; R135-W148 WeakPolarHBondContact O-CA 3.36Å
149	I	89.2	Confident	75.9	Confident	64 Å²	64	77 Å²	77	33%	0.328	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.5	179.5	-63.5	-179.9	0	0	0	109.3	W134 R135 E137 L151	W134-I149 CarbonylContact C-O 3.54Å; W134-I149 VanDerWaalsContact CA-O 3.3Å; W134-I149 WeakPolarHBondContact CA-O 3.28Å; W134-I149 VanDerWaalsContact CE3-C 3.47Å; R135-I149 HydrophobicContact CG-CB 4.38Å; R135-I149 PolarHBondContact N-O 3.4Å; R135-I149 PolarHBondContact O-N 3.27Å; E137-I149 HydrophobicContact CB-CD1 3.99Å; E137-I149 HydrophobicContact CB-CG1 4.36Å; E137-I149 HydrophobicContact CG-CD1 4.25Å; E137-I149 WeakPolarHBondContact OE1-CD1 3.36Å; E137-I149 WeakPolarHBondContact OE2-CD1 3.41Å; I149-L151 PolarHBondContact O-N 3.31Å
150	Q	89.5	Confident	75.6	Confident	36 Å²	36	77.5 Å²	77.5	17%	0.168	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	129.5	175.6	-165.2	-176.3	-6.6	0	0	110	N120 S132 W134	N120-Q150 PolarHBondContact ND2-NE2 2.9Å; S132-Q150 WeakPolarHBondContact OG-CG 3.24Å; S132-Q150 PolarHBondContact OG-NE2 3.42Å; S132-Q150 VanDerWaalsContact OG-NE2 3.08Å; W134-Q150 HydrophobicContact CD2-CB 4.09Å; W134-Q150 HydrophobicContact CD2-CG 4.46Å; W134-Q150 HydrophobicContact CE3-CB 4Å; W134-Q150 HydrophobicContact CH2-CB 3.76Å; W134-Q150 HydrophobicContact CH2-CG 4.37Å; W134-Q150 HydrophobicContact CZ2-CB 3.86Å; W134-Q150 HydrophobicContact CZ2-CG 3.98Å; W134-Q150 HydrophobicContact CZ3-CB 3.84Å
151	L	86.2	Confident	75.8	Confident	7 Å²	7	70.8 Å²	70.8	4%	0.037	34%	0.344	C	S	.	.			trans	-76.3	131.1	179.3	-70.9	173	0	0	0	110.7	I102 N120 F133 R135 I149 P155 F220	I102-L151 HydrophobicContact CG2-CD1 4.18Å; N120-L151 VanDerWaalsContact CB-O 3.3Å; N120-L151 WeakPolarHBondContact CB-O 3.44Å; N120-L151 PolarHBondContact ND2-O 3.28Å; F133-L151 HydrophobicContact CB-CB 4.43Å; F133-L151 HydrophobicContact CB-CD1 3.82Å; F133-L151 WeakPolarHBondContact O-CB 3.18Å; F133-L151 PolarHBondContact O-N 3.4Å; R135-L151 HydrophobicContact CB-CD2 3.89Å; R135-L151 HydrophobicContact CB-CG 4.27Å; R135-L151 HydrophobicContact CG-CD2 3.83Å; I149-L151 PolarHBondContact O-N 3.31Å; L151-P155 HydrophobicContact CD1-CG 4.34Å; L151-F220 HydrophobicContact CD1-CD2 4.38Å; L151-F220 HydrophobicContact CD1-CE2 3.5Å; L151-F220 VanDerWaalsContact CD1-CE2 3.5Å; L151-F220 HydrophobicContact CD1-CZ 4.15Å; L151-F220 HydrophobicContact CD2-CE2 3.78Å; L151-F220 HydrophobicContact CG-CE2 4.2Å
152	N	82.4	Confident	76	Confident	130 Å²	130	69.3 Å²	69.3	70%	0.695	33%	0.333	S	S	*	.	S	Bend	trans	-76.2	-32.1	174.6	-69	-29.1	0	0	0	112.3	N120	N120-N152 WeakPolarHBondContact CB-O 3.48Å
153	N	81.3	Confident	76.4	Confident	66 Å²	66	62.3 Å²	62.3	35%	0.353	31%	0.308	S	S	.	.	S	Bend	trans	-110.4	131.4	177.3	-67	-35.2	0	0	0	109.5	F220 S223	N153-F220 WeakPolarHBondContact O-CD2 3.43Å; N153-S223 WeakPolarHBondContact ND2-CB 3.5Å; N153-S223 PolarHBondContact ND2-OG 2.91Å; N153-S223 VanDerWaalsContact ND2-OG 3.1Å
154	L	80.4	Confident	77	Confident	38 Å²	38	52.9 Å²	52.9	20%	0.199	27%	0.272	C	S	.	.			trans	-68.2	128.3	179.5	-64.5	170	0	0	0	110.3	L122 F133 Y156 S217	L122-L154 HydrophobicContact CD1-CD2 4.46Å; L122-L154 HydrophobicContact CD2-CD1 4.05Å; L122-L154 HydrophobicContact CD2-CD2 4.48Å; L122-L154 HydrophobicContact CG-CD2 4.35Å; F133-L154 HydrophobicContact CD2-CD2 3.71Å; F133-L154 HydrophobicContact CE2-CD2 4.06Å; L154-Y156 VanDerWaalsContact CB-O 3.32Å; L154-Y156 WeakPolarHBondContact CB-O 3.42Å; L154-Y156 PolarHBondContact O-N 3.05Å; L154-S217 PolarHBondContact O-OG 2.95Å
155	P	77.4	Confident	77.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-64	-31.2	175.8	24.3	-31.6	0	0	0	111.7	I102 F133 L151 L216 S217 F220	I102-P155 HydrophobicContact CD1-CB 4.23Å; I102-P155 HydrophobicContact CG2-CG 4.42Å; F133-P155 HydrophobicContact CB-CG 4.04Å; F133-P155 HydrophobicContact CD1-CG 3.67Å; F133-P155 HydrophobicContact CD2-CG 3.95Å; F133-P155 HydrophobicContact CE1-CG 4.03Å; F133-P155 HydrophobicContact CE2-CG 4.26Å; F133-P155 HydrophobicContact CG-CG 3.62Å; F133-P155 HydrophobicContact CZ-CG 4.31Å; L151-P155 HydrophobicContact CD1-CG 4.34Å; P155-L216 HydrophobicContact CB-CD2 3.63Å; P155-L216 CarbonylContact O-C 3.6Å; P155-L216 WeakPolarHBondContact O-CA 3.46Å; P155-S217 PolarHBondContact O-N 3.49Å; P155-F220 HydrophobicContact CB-CD1 4.1Å; P155-F220 HydrophobicContact CB-CD2 4.05Å; P155-F220 HydrophobicContact CB-CE1 4.17Å; P155-F220 HydrophobicContact CB-CE2 4.14Å; P155-F220 HydrophobicContact CB-CG 4.02Å; P155-F220 HydrophobicContact CB-CZ 4.18Å
156	Y	75.9	Confident	78	Confident	22 Å²	22	48 Å²	48	9%	0.086	25%	0.248	C	C	.	.	S	Bend	trans	-122.3	145.1	-179.8	-54.2	-67.9	0	0	0	110.1	P87 F133 L154 D214 L216	P87-Y156 PolarHBondContact O-OH 2.97Å; F133-Y156 AromaticContact CE1-CD2 3.83Å; F133-Y156 HydrophobicContact CE1-CD2 3.83Å; F133-Y156 HydrophobicContact CE1-CE2 4.25Å; F133-Y156 AromaticContact CZ-CD2 3.85Å; F133-Y156 HydrophobicContact CZ-CD2 3.85Å; L154-Y156 VanDerWaalsContact CB-O 3.32Å; L154-Y156 WeakPolarHBondContact CB-O 3.42Å; L154-Y156 PolarHBondContact O-N 3.05Å; Y156-D214 HydrophobicContact CD1-CB 4.38Å; Y156-L216 HydrophobicContact CE1-CD2 4.1Å
157	N	67.4	Low	77.8	Confident	88 Å²	88	46.5 Å²	46.5	47%	0.471	24%	0.242	S	C	.	.			trans	-66.8	139.3	176.4	-179.1	-13.1	0	0	0	109.2	Q159 T160 I161	N157-Q159 PolarHBondContact O-N 3.44Å; N157-Q159 PolarHBondContact OD1-N 3.02Å; N157-T160 HydrophobicContact CB-CG2 3.93Å; N157-T160 PolarHBondContact N-OG1 3.5Å; N157-T160 CarbonylContact O-C 3.45Å; N157-T160 WeakPolarHBondContact O-CA 3.25Å; N157-T160 PolarHBondContact O-N 3.34Å; N157-T160 PolarHBondContact O-OG1 2.95Å; N157-I161 PolarHBondContact O-N 2.78Å
158	K	67.8	Low	77.7	Confident	115 Å²	115	43.8 Å²	43.8	50%	0.5	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-52	-40.1	179.4	-178.7	172.9	-175.4	-176.2	0	112.6	L122 T160	L122-K158 HydrophobicContact CD2-CB 4.03Å; L122-K158 HydrophobicContact CD2-CD 3.91Å; L122-K158 HydrophobicContact CD2-CG 3.74Å; K158-T160 PolarHBondContact O-N 3.4Å
159	Q	64.8	Low	77.4	Confident	173 Å²	173	43.4 Å²	43.4	81%	0.808	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-70.6	-17.9	178.3	-68.4	177.9	-10.1	0	0	113.1	N157	N157-Q159 PolarHBondContact O-N 3.44Å; N157-Q159 PolarHBondContact OD1-N 3.02Å
160	T	63.7	Low	77.1	Confident	38 Å²	38	42.3 Å²	42.3	23%	0.233	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-111.2	2	-174.8	81.8	0	0	0	0	113.4	N157 K158 H162 K213 D214	N157-T160 HydrophobicContact CB-CG2 3.93Å; N157-T160 PolarHBondContact N-OG1 3.5Å; N157-T160 CarbonylContact O-C 3.45Å; N157-T160 WeakPolarHBondContact O-CA 3.25Å; N157-T160 PolarHBondContact O-N 3.34Å; N157-T160 PolarHBondContact O-OG1 2.95Å; K158-T160 PolarHBondContact O-N 3.4Å; T160-H162 PolarHBondContact O-N 3.45Å; T160-K213 WeakPolarHBondContact O-CD 3.42Å; T160-K213 WeakPolarHBondContact O-CE 3.48Å; T160-D214 WeakPolarHBondContact CB-OD2 3.38Å; T160-D214 PolarHBondContact OG1-OD2 2.67Å
161	I	70.8	Confident	76.8	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.062	21%	0.207	C	C	.	.	S	Bend	trans	-53.8	135.3	168	-63.7	177.1	0	0	0	108.6	L122 F133 N157 P163 L165 I166 K213	L122-I161 HydrophobicContact CD1-CD1 3.26Å; L122-I161 HydrophobicContact CD2-CD1 3.79Å; L122-I161 HydrophobicContact CG-CD1 4.15Å; F133-I161 HydrophobicContact CE2-CD1 4.37Å; N157-I161 PolarHBondContact O-N 2.78Å; I161-P163 WeakPolarHBondContact O-CD 3.34Å; I161-L165 HydrophobicContact CG2-CD2 4.29Å; I161-I166 HydrophobicContact CG2-CD1 4.12Å; I161-I166 HydrophobicContact CG2-CG1 4.04Å; I161-K213 PolarHBondContact O-NZ 3.42Å
162	H	70.7	Confident	76.5	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.037	21%	0.206	C	C	.	.			trans	-66.3	120.2	-178.8	-171.4	-79.9	0	0	0	109.5	T160 G164 L165 A209 F210 K213 F250 G253	T160-H162 PolarHBondContact O-N 3.45Å; H162-G164 WeakPolarHBondContact ND1-CA 3.34Å; H162-G164 PolarHBondContact ND1-N 2.87Å; H162-G164 PolarHBondContact O-N 3.37Å; H162-L165 HydrophobicContact CB-CB 4.33Å; H162-L165 VanDerWaalsContact O-CB 3.23Å; H162-L165 WeakPolarHBondContact O-CB 3.49Å; H162-L165 PolarHBondContact O-N 3.49Å; H162-A209 PolarHBondContact CE1-O 3.37Å; H162-A209 VanDerWaalsContact CE1-O 3.28Å; H162-F210 HydrophobicContact CB-CB 4.46Å; H162-F210 WeakPolarHBondContact CE1-CA 3.24Å; H162-F210 VanDerWaalsContact CE1-CB 3.45Å; H162-F210 WeakPolarHBondContact CE1-CB 3.25Å; H162-F210 WeakPolarHBondContact ND1-CB 3.4Å; H162-K213 HydrophobicContact CB-CB 4.3Å; H162-K213 HydrophobicContact CB-CD 3.97Å; H162-F250 AromaticContact NE2-CD1 3.69Å; H162-F250 AromaticContact NE2-CE1 3.36Å; H162-F250 WeakPolarHBondContact NE2-CE1 3.17Å; H162-G253 WeakPolarHBondContact CE1-CA 3.49Å; H162-G253 PolarHBondContact CE1-N 2.82Å; H162-G253 VanDerWaalsContact NE2-CA 3.25Å; H162-G253 WeakPolarHBondContact NE2-CA 3.5Å; H162-G253 PolarHBondContact NE2-N 3.23Å
163	P	71.9	Confident	76.3	Confident	55 Å²	55	36.2 Å²	36.2	36%	0.357	18%	0.184	S	C	.	.	H	α-helix	trans	-60.3	-32.2	-177	25.2	-36.9	0	0	0	112.5	I161 L165 I166 A167 D252	I161-P163 WeakPolarHBondContact O-CD 3.34Å; P163-L165 PolarHBondContact O-N 2.84Å; P163-I166 PolarHBondContact O-N 2.82Å; P163-A167 PolarHBondContact O-N 3.27Å; P163-D252 WeakPolarHBondContact CG-O 3.44Å
164	G	76.9	Confident	76	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-27.5	171.3	0	0	0	0	0	114.2	H162 A168	H162-G164 WeakPolarHBondContact ND1-CA 3.34Å; H162-G164 PolarHBondContact ND1-N 2.87Å; H162-G164 PolarHBondContact O-N 3.37Å; G164-A168 VanDerWaalsContact O-CB 3.22Å; G164-A168 WeakPolarHBondContact O-CB 3.38Å; G164-A168 PolarHBondContact O-N 2.81Å
165	L	81.6	Confident	75.3	Confident	7 Å²	7	36.9 Å²	36.9	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-70.6	-42.8	175.1	177.1	58.5	0	0	0	110.8	F84 M86 F104 I161 H162 P163 A167 A168 S169 F210	F84-L165 HydrophobicContact CB-CD1 4.38Å; F84-L165 HydrophobicContact CD2-CD1 3.93Å; F84-L165 HydrophobicContact CG-CD1 4.46Å; M86-L165 HydrophobicContact CE-CD1 3.55Å; M86-L165 HydrophobicContact CE-CD2 4.01Å; M86-L165 HydrophobicContact CE-CG 4.43Å; M86-L165 HydrophobicContact SD-CD1 4.24Å; M86-L165 HydrophobicContact SD-CD2 3.51Å; M86-L165 VanDerWaalsContact SD-CD2 3.51Å; F104-L165 HydrophobicContact CB-CD1 4.5Å; F104-L165 HydrophobicContact CB-CD2 4.25Å; F104-L165 HydrophobicContact CD1-CD1 3.66Å; F104-L165 HydrophobicContact CD1-CD2 3.68Å; F104-L165 HydrophobicContact CD1-CG 3.59Å; F104-L165 HydrophobicContact CD2-CD2 4.24Å; F104-L165 HydrophobicContact CE1-CD1 4.2Å; F104-L165 HydrophobicContact CE1-CD2 3.94Å; F104-L165 HydrophobicContact CE1-CG 3.7Å; F104-L165 HydrophobicContact CE2-CD2 4.46Å; F104-L165 HydrophobicContact CG-CD1 4.34Å; F104-L165 HydrophobicContact CG-CD2 3.81Å; F104-L165 HydrophobicContact CG-CG 4.24Å; F104-L165 HydrophobicContact CZ-CD2 4.32Å; F104-L165 HydrophobicContact CZ-CG 4.44Å; I161-L165 HydrophobicContact CG2-CD2 4.29Å; H162-L165 HydrophobicContact CB-CB 4.33Å; H162-L165 VanDerWaalsContact O-CB 3.23Å; H162-L165 WeakPolarHBondContact O-CB 3.49Å; H162-L165 PolarHBondContact O-N 3.49Å; P163-L165 PolarHBondContact O-N 2.84Å; L165-A167 VanDerWaalsContact C-N 3.34Å; L165-A168 PolarHBondContact O-N 3.37Å; L165-S169 PolarHBondContact O-N 3.03Å; L165-S169 PolarHBondContact O-OG 3.21Å; L165-F210 HydrophobicContact CB-CB 4.32Å; L165-F210 HydrophobicContact CB-CD1 4.47Å; L165-F210 HydrophobicContact CB-CD2 4.38Å; L165-F210 HydrophobicContact CB-CG 4.16Å; L165-F210 HydrophobicContact CD1-CD1 4.28Å; L165-F210 HydrophobicContact CD1-CD2 4.07Å; L165-F210 HydrophobicContact CD1-CE1 3.98Å; L165-F210 HydrophobicContact CD1-CE2 3.77Å; L165-F210 HydrophobicContact CD1-CG 4.32Å; L165-F210 HydrophobicContact CD1-CZ 3.71Å
166	I	80.6	Confident	75.1	Confident	34 Å²	34	43.6 Å²	43.6	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-43.8	176.8	-58.3	165.1	0	0	0	109.8	F124 L127 M129 I161 P163 S169 R170	F124-I166 HydrophobicContact CD1-CG2 4.22Å; F124-I166 HydrophobicContact CE1-CD1 3.49Å; F124-I166 VanDerWaalsContact CE1-CD1 3.49Å; F124-I166 HydrophobicContact CE1-CG1 3.93Å; F124-I166 HydrophobicContact CE1-CG2 4.06Å; F124-I166 HydrophobicContact CZ-CD1 3.72Å; F124-I166 HydrophobicContact CZ-CG1 3.71Å; F124-I166 HydrophobicContact CZ-CG2 4.24Å; L127-I166 HydrophobicContact CD1-CG2 3.77Å; M129-I166 HydrophobicContact CE-CG2 4.41Å; I161-I166 HydrophobicContact CG2-CD1 4.12Å; I161-I166 HydrophobicContact CG2-CG1 4.04Å; P163-I166 PolarHBondContact O-N 2.82Å; I166-S169 PolarHBondContact O-N 2.93Å; I166-R170 PolarHBondContact O-N 2.76Å
167	A	78.2	Confident	75.6	Confident	16 Å²	16	43.7 Å²	43.7	13%	0.132	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-41.9	176.1	0	0	0	0	0	112.4	P163 L165 S169 R170 L171 Y208	P163-A167 PolarHBondContact O-N 3.27Å; L165-A167 VanDerWaalsContact C-N 3.34Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.16Å; A167-R170 WeakPolarHBondContact O-CB 3.18Å; A167-R170 PolarHBondContact O-N 3.01Å; A167-L171 PolarHBondContact O-N 2.85Å; A167-Y208 HydrophobicContact CB-CD1 3.58Å; A167-Y208 HydrophobicContact CB-CD2 4.09Å; A167-Y208 HydrophobicContact CB-CE1 3.52Å; A167-Y208 HydrophobicContact CB-CE2 4.06Å; A167-Y208 HydrophobicContact CB-CG 3.87Å
168	A	83.7	Confident	76.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-42	173.6	0	0	0	0	0	112	F84 G164 L165 R170 L171 A172 V190 F210	F84-A168 HydrophobicContact CE2-CB 4.03Å; F84-A168 HydrophobicContact CZ-CB 4.07Å; G164-A168 VanDerWaalsContact O-CB 3.22Å; G164-A168 WeakPolarHBondContact O-CB 3.38Å; G164-A168 PolarHBondContact O-N 2.81Å; L165-A168 PolarHBondContact O-N 3.37Å; A168-R170 VanDerWaalsContact C-N 3.3Å; A168-R170 PolarHBondContact O-N 3.07Å; A168-L171 PolarHBondContact O-N 2.91Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 2.68Å; A168-V190 HydrophobicContact CB-CB 4.03Å; A168-V190 HydrophobicContact CB-CG1 4.48Å; A168-V190 HydrophobicContact CB-CG2 3.8Å; A168-F210 HydrophobicContact CB-CD1 3.94Å; A168-F210 HydrophobicContact CB-CE1 3.73Å
169	S	85.8	Confident	77.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-35.3	174.8	-67.4	0	0	0	0	113.1	S82 F104 C106 L165 I166 A167	S82-S169 WeakPolarHBondContact OG-CB 3.39Å; S82-S169 PolarHBondContact OG-OG 3.26Å; F104-S169 WeakPolarHBondContact CE1-OG 3.34Å; C106-S169 PolarHBondContact SG-OG 3.24Å; L165-S169 PolarHBondContact O-N 3.03Å; L165-S169 PolarHBondContact O-OG 3.21Å; I166-S169 PolarHBondContact O-N 2.93Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.16Å
170	R	83.2	Confident	78.8	Confident	41 Å²	41	30.1 Å²	30.1	16%	0.155	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-43.6	171.6	-67.3	-178.8	74.4	-166.1	-3.8	112.4	L127 M129 I166 A167 A168 A172 L173 D201 L202	L127-R170 HydrophobicContact CD1-CG 3.87Å; L127-R170 VanDerWaalsContact CD2-CZ 3.46Å; L127-R170 VanDerWaalsContact CD2-NE 3.34Å; M129-R170 HydrophobicContact CE-CG 4.07Å; I166-R170 PolarHBondContact O-N 2.76Å; A167-R170 WeakPolarHBondContact O-CB 3.18Å; A167-R170 PolarHBondContact O-N 3.01Å; A168-R170 VanDerWaalsContact C-N 3.3Å; A168-R170 PolarHBondContact O-N 3.07Å; R170-A172 PolarHBondContact O-N 2.79Å; R170-L173 HydrophobicContact CB-CD1 4.48Å; R170-L173 WeakPolarHBondContact O-CB 2.97Å; R170-L173 WeakPolarHBondContact O-CD1 3.46Å; R170-L173 WeakPolarHBondContact O-CG 3.09Å; R170-L173 PolarHBondContact O-N 2.84Å; R170-D201 IonicContact CZ-OD1 2.68Å; R170-D201 IonicContact CZ-OD2 3.69Å; R170-D201 IonicContact NH1-OD1 3.86Å; R170-D201 IonicContact NH1-OD2 2.7Å; R170-D201 PolarHBondContact NH1-OD2 3.21Å; R170-D201 IonicContact NH2-OD1 3.41Å; R170-D201 PolarHBondContact NH2-OD1 3.49Å; R170-D201 IonicContact NH2-OD2 2.85Å; R170-D201 PolarHBondContact NH2-OD2 3.14Å; R170-L202 HydrophobicContact CB-CD1 3.83Å
171	L	81.2	Confident	79.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-36.8	175.5	-75.8	-166.1	0	0	0	112	A167 A168 L173 F174 V190 A192 V194 L202 Q206 Y208	A167-L171 PolarHBondContact O-N 2.85Å; A168-L171 PolarHBondContact O-N 2.91Å; L171-L173 PolarHBondContact O-N 2.99Å; L171-L173 VanDerWaalsContact O-N 3.11Å; L171-F174 WeakPolarHBondContact O-CD2 3.4Å; L171-F174 PolarHBondContact O-N 3.01Å; L171-F174 VanDerWaalsContact O-N 3.13Å; L171-V190 HydrophobicContact CB-CG1 4.46Å; L171-A192 HydrophobicContact CB-CB 4.23Å; L171-A192 HydrophobicContact CD1-CB 4.3Å; L171-A192 HydrophobicContact CD2-CB 4.42Å; L171-V194 HydrophobicContact CD2-CG2 3.72Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å; L171-Q206 HydrophobicContact CD1-CB 3.75Å; L171-Q206 HydrophobicContact CD2-CB 3.8Å; L171-Q206 HydrophobicContact CD2-CG 4.12Å; L171-Q206 HydrophobicContact CG-CB 4.38Å; L171-Y208 HydrophobicContact CD1-CD2 3.39Å; L171-Y208 HydrophobicContact CD1-CE2 3.73Å; L171-Y208 HydrophobicContact CD2-CE2 4.28Å; L171-Y208 HydrophobicContact CG-CD2 3.89Å; L171-Y208 HydrophobicContact CG-CE2 3.89Å
172	A	81.9	Confident	80.5	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	5.1	175.7	0	0	0	0	0	113.1	K37 S82 F84 A168 R170 Y177	K37-A172 PolarHBondContact NZ-O 3.26Å; S82-A172 VanDerWaalsContact CB-CB 3.41Å; F84-A172 HydrophobicContact CE2-CB 4.38Å; F84-A172 HydrophobicContact CZ-CB 3.73Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 2.68Å; R170-A172 PolarHBondContact O-N 2.79Å; A172-Y177 HydrophobicContact CB-CD1 3.87Å; A172-Y177 HydrophobicContact CB-CD2 4.09Å; A172-Y177 HydrophobicContact CB-CE1 3.7Å; A172-Y177 HydrophobicContact CB-CE2 3.92Å; A172-Y177 HydrophobicContact CB-CG 4.05Å
173	L	76.6	Confident	80.7	Confident	46 Å²	46	33.8 Å²	33.8	24%	0.241	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-31	162.8	-64.9	168.9	0	0	0	111.4	K37 T81 T108 R170 L171	K37-L173 PolarHBondContact NZ-O 3.13Å; T81-L173 HydrophobicContact CG2-CD2 3.63Å; T108-L173 HydrophobicContact CG2-CD2 3.43Å; T108-L173 VanDerWaalsContact CG2-CD2 3.43Å; R170-L173 HydrophobicContact CB-CD1 4.48Å; R170-L173 WeakPolarHBondContact O-CB 2.97Å; R170-L173 WeakPolarHBondContact O-CD1 3.46Å; R170-L173 WeakPolarHBondContact O-CG 3.09Å; R170-L173 PolarHBondContact O-N 2.84Å; L171-L173 PolarHBondContact O-N 2.99Å; L171-L173 VanDerWaalsContact O-N 3.11Å
174	F	74.8	Confident	80.8	Confident	34 Å²	34	38.8 Å²	38.8	15%	0.149	21%	0.207	C	C	.	.	S	Bend	trans	-81.7	156.2	-175.7	-54.2	-71.1	0	0	0	112.1	K37 L171 H176 V194 H196 A199	K37-F174 WeakPolarHBondContact CE-O 3.22Å; K37-F174 PolarHBondContact NZ-O 3.21Å; L171-F174 WeakPolarHBondContact O-CD2 3.4Å; L171-F174 PolarHBondContact O-N 3.01Å; L171-F174 VanDerWaalsContact O-N 3.13Å; F174-H176 PolarHBondContact O-N 3.4Å; F174-V194 HydrophobicContact CD1-CG1 4.34Å; F174-V194 HydrophobicContact CD2-CB 4.4Å; F174-V194 HydrophobicContact CD2-CG1 4.23Å; F174-V194 HydrophobicContact CD2-CG2 3.58Å; F174-V194 HydrophobicContact CE1-CG1 3.7Å; F174-V194 HydrophobicContact CE2-CB 4.11Å; F174-V194 HydrophobicContact CE2-CG1 3.6Å; F174-V194 HydrophobicContact CE2-CG2 3.42Å; F174-V194 VanDerWaalsContact CE2-CG2 3.42Å; F174-V194 HydrophobicContact CG-CG2 4.37Å; F174-V194 HydrophobicContact CZ-CB 4.28Å; F174-V194 HydrophobicContact CZ-CG1 3.3Å; F174-V194 HydrophobicContact CZ-CG2 4.09Å; F174-H196 HydrophobicContact CE1-CB 4.28Å; F174-A199 HydrophobicContact CZ-CB 4.27Å
175	S	66.2	Low	80.8	Confident	84 Å²	84	40 Å²	40	59%	0.587	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.6	-170.4	51.7	0	0	0	0	115.1
176	H	73.9	Confident	80.6	Confident	140 Å²	140	39.9 Å²	39.9	65%	0.648	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.7	41.8	-170.4	-57.1	-58.8	0	0	0	112.2	F174	F174-H176 PolarHBondContact O-N 3.4Å
177	Y	86.3	Confident	80.8	Confident	24 Å²	24	39 Å²	39	9%	0.094	21%	0.21	C	C	.	.			trans	-81.6	149	169	79.6	-84.9	0	0	0	109.9	M39 F84 A172 V190 A191	M39-Y177 PolarHBondContact O-OH 2.78Å; F84-Y177 HydrophobicContact CE1-CE2 4.16Å; A172-Y177 HydrophobicContact CB-CD1 3.87Å; A172-Y177 HydrophobicContact CB-CD2 4.09Å; A172-Y177 HydrophobicContact CB-CE1 3.7Å; A172-Y177 HydrophobicContact CB-CE2 3.92Å; A172-Y177 HydrophobicContact CB-CG 4.05Å; Y177-V190 HydrophobicContact CD2-CG1 3.98Å; Y177-A191 CarbonylContact C-O 3.53Å; Y177-A191 VanDerWaalsContact CA-O 3.29Å; Y177-A191 WeakPolarHBondContact CA-O 3.44Å
178	V	88.3	Confident	81.3	Confident	32 Å²	32	38.3 Å²	38.3	19%	0.194	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.6	168.7	-71.1	0	0	0	0	108.1	V190 A191 F270 I273	V178-V190 WeakPolarHBondContact O-CA 3.24Å; V178-A191 HydrophobicContact CG2-CB 4.04Å; V178-A191 PolarHBondContact N-O 3.2Å; V178-A191 PolarHBondContact O-N 3.15Å; V178-F270 HydrophobicContact CG2-CB 3.64Å; V178-F270 HydrophobicContact CG2-CG 4.38Å; V178-I273 HydrophobicContact CB-CD1 4.32Å; V178-I273 HydrophobicContact CB-CG1 4.3Å; V178-I273 HydrophobicContact CG2-CD1 3.7Å; V178-I273 HydrophobicContact CG2-CG1 3.74Å; V178-I273 WeakPolarHBondContact O-CD1 3.45Å
179	S	89.8	Confident	81.6	Confident	40 Å²	40	38.3 Å²	38.3	28%	0.28	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.6	178.9	58.7	0	0	0	0	110.9	L189	S179-L189 CarbonylContact C-O 3.52Å; S179-L189 VanDerWaalsContact CA-O 3.26Å; S179-L189 WeakPolarHBondContact CA-O 3.5Å
180	S	89.3	Confident	81.9	Confident	19 Å²	19	38.4 Å²	38.4	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	139	170.7	-175	0	0	0	0	109	S188 L189 I273 S275	S180-S188 CarbonylContact O-C 3.55Å; S180-S188 VanDerWaalsContact O-CA 3.26Å; S180-S188 WeakPolarHBondContact O-CA 3.28Å; S180-L189 PolarHBondContact N-O 2.86Å; S180-L189 PolarHBondContact O-N 2.91Å; S180-I273 VanDerWaalsContact CB-CG2 3.46Å; S180-S275 PolarHBondContact OG-N 2.88Å
181	T	85.8	Confident	82.3	Confident	38 Å²	38	36.4 Å²	36.4	23%	0.233	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.5	174.9	-64.2	0	0	0	0	108.4	S188	T181-S188 WeakPolarHBondContact CB-OG 3.02Å; T181-S188 VanDerWaalsContact CG2-OG 3.3Å; T181-S188 WeakPolarHBondContact CG2-OG 3.29Å; T181-S188 PolarHBondContact OG1-OG 3.46Å
182	D	84.3	Confident	82.7	Confident	11 Å²	11	36.5 Å²	36.5	6%	0.059	20%	0.197	C	C	.	.			trans	-85.2	111.5	168.6	-171.8	-37.2	0	0	0	108.8	K184 T185 G186 Y187 S278 Q316	D182-K184 VanDerWaalsContact C-N 3.26Å; D182-K184 PolarHBondContact O-N 2.77Å; D182-K184 WeakPolarHBondContact OD1-CA 3.49Å; D182-K184 WeakPolarHBondContact OD1-CB 3.03Å; D182-K184 PolarHBondContact OD1-N 3.46Å; D182-T185 WeakPolarHBondContact CB-OG1 3.04Å; D182-T185 PolarHBondContact OD1-N 2.82Å; D182-G186 WeakPolarHBondContact O-CA 3.37Å; D182-G186 PolarHBondContact O-N 3.32Å; D182-Y187 PolarHBondContact N-O 3.41Å; D182-S278 WeakPolarHBondContact OD2-CA 3.49Å; D182-S278 PolarHBondContact OD2-OG 3.29Å; D182-Q316 PolarHBondContact OD2-NE2 3.28Å; D182-Q316 PolarHBondContact OD2-OE1 2.63Å
183	V	74	Confident	82.9	Confident	87 Å²	87	38.5 Å²	38.5	53%	0.527	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.9	-178.3	-178.6	0	0	0	0	111.8
184	K	74.1	Confident	83.1	Confident	159 Å²	159	36.3 Å²	36.3	69%	0.691	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-43.6	-174.9	178.1	169.6	171.4	-173.9	0	111.9	D182 S278	D182-K184 VanDerWaalsContact C-N 3.26Å; D182-K184 PolarHBondContact O-N 2.77Å; D182-K184 WeakPolarHBondContact OD1-CA 3.49Å; D182-K184 WeakPolarHBondContact OD1-CB 3.03Å; D182-K184 PolarHBondContact OD1-N 3.46Å; K184-S278 WeakPolarHBondContact CD-OG 3.38Å
185	T	78	Confident	82.9	Confident	28 Å²	28	43 Å²	43	17%	0.172	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-21.2	179.6	64.2	0	0	0	0	113	D182 Y187 S278 Q316	D182-T185 WeakPolarHBondContact CB-OG1 3.04Å; D182-T185 PolarHBondContact OD1-N 2.82Å; T185-Y187 VanDerWaalsContact C-N 3.28Å; T185-Y187 WeakPolarHBondContact O-CD2 3.48Å; T185-Y187 PolarHBondContact O-N 2.82Å; T185-Y187 WeakPolarHBondContact OG1-CD2 3.2Å; T185-Y187 PolarHBondContact OG1-N 2.89Å; T185-S278 VanDerWaalsContact CG2-CB 3.4Å; T185-S278 WeakPolarHBondContact CG2-O 3.48Å; T185-Q316 VanDerWaalsContact CG2-OE1 3.23Å; T185-Q316 PolarHBondContact OG1-OE1 3.45Å
186	G	76.8	Confident	82.8	Confident	4 Å²	4	44.7 Å²	44.7	4%	0.041	23%	0.226	C	C	.	.			trans	78.6	7.7	-178.2	0	0	0	0	0	115.2	P87 D182	P87-G186 VanDerWaalsContact CB-O 3.28Å; P87-G186 WeakPolarHBondContact CB-O 3.49Å; P87-G186 VanDerWaalsContact CG-O 3.26Å; P87-G186 WeakPolarHBondContact CG-O 3.26Å; D182-G186 WeakPolarHBondContact O-CA 3.37Å; D182-G186 PolarHBondContact O-N 3.32Å
187	Y	85.6	Confident	82	Confident	17 Å²	17	45.7 Å²	45.7	7%	0.067	23%	0.232	C	C	.	.			trans	-83	150.3	175.1	-70.3	-97.3	0	0	0	110.3	D182 T185 F210 P212 F250 F281 Q316 H317	D182-Y187 PolarHBondContact N-O 3.41Å; T185-Y187 VanDerWaalsContact C-N 3.28Å; T185-Y187 WeakPolarHBondContact O-CD2 3.48Å; T185-Y187 PolarHBondContact O-N 2.82Å; T185-Y187 WeakPolarHBondContact OG1-CD2 3.2Å; T185-Y187 PolarHBondContact OG1-N 2.89Å; Y187-F210 CarbonylContact C-O 3.5Å; Y187-F210 WeakPolarHBondContact CA-O 3.3Å; Y187-P212 HydrophobicContact CE2-CG 4.08Å; Y187-F250 HydrophobicContact CD1-CE1 4.1Å; Y187-F250 HydrophobicContact CD1-CE2 4.14Å; Y187-F250 AromaticContact CD1-CZ 3.71Å; Y187-F250 HydrophobicContact CD1-CZ 3.71Å; Y187-F250 HydrophobicContact CE1-CD1 4.02Å; Y187-F250 AromaticContact CE1-CD2 3.95Å; Y187-F250 HydrophobicContact CE1-CD2 3.95Å; Y187-F250 AromaticContact CE1-CE1 3.66Å; Y187-F250 HydrophobicContact CE1-CE1 3.66Å; Y187-F250 AromaticContact CE1-CE2 3.56Å; Y187-F250 HydrophobicContact CE1-CE2 3.56Å; Y187-F250 HydrophobicContact CE1-CG 4.18Å; Y187-F250 AromaticContact CE1-CZ 3.43Å; Y187-F250 HydrophobicContact CE1-CZ 3.43Å; Y187-F250 VanDerWaalsContact CE1-CZ 3.43Å; Y187-F281 WeakPolarHBondContact O-CZ 3.49Å; Y187-Q316 WeakPolarHBondContact CD1-O 3.36Å; Y187-Q316 HydrophobicContact CD2-CB 4.42Å; Y187-Q316 WeakPolarHBondContact CE1-O 3.49Å; Y187-Q316 HydrophobicContact CG-CB 4.15Å; Y187-H317 AromaticContact CD2-CE1 3.7Å; Y187-H317 AromaticContact CD2-NE2 3.94Å; Y187-H317 AromaticContact CE2-CD2 3.41Å; Y187-H317 VanDerWaalsContact CE2-CD2 3.41Å; Y187-H317 WeakPolarHBondContact CE2-CD2 3.41Å; Y187-H317 AromaticContact CE2-CE1 3.22Å; Y187-H317 WeakPolarHBondContact CE2-CE1 3.43Å; Y187-H317 AromaticContact CE2-CG 3.83Å; Y187-H317 AromaticContact CE2-ND1 3.73Å; Y187-H317 AromaticContact CE2-NE2 3Å; Y187-H317 WeakPolarHBondContact CE2-NE2 3.24Å; Y187-H317 AromaticContact CZ-CD2 3.29Å; Y187-H317 AromaticContact CZ-CE1 3.91Å; Y187-H317 AromaticContact CZ-CG 3.71Å; Y187-H317 AromaticContact CZ-NE2 3.45Å; Y187-H317 PolarHBondContact OH-CD2 2.8Å; Y187-H317 PolarHBondContact OH-NE2 2.84Å
188	S	87.5	Confident	80.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.9	176.3	-59.2	0	0	0	0	110.2	S180 T181 A209 F210	S180-S188 CarbonylContact O-C 3.55Å; S180-S188 VanDerWaalsContact O-CA 3.26Å; S180-S188 WeakPolarHBondContact O-CA 3.28Å; T181-S188 WeakPolarHBondContact CB-OG 3.02Å; T181-S188 VanDerWaalsContact CG2-OG 3.3Å; T181-S188 WeakPolarHBondContact CG2-OG 3.29Å; T181-S188 PolarHBondContact OG1-OG 3.46Å; S188-A209 VanDerWaalsContact O-CA 3.28Å; S188-A209 WeakPolarHBondContact O-CA 3.41Å; S188-F210 PolarHBondContact N-O 2.98Å; S188-F210 PolarHBondContact O-N 3.44Å; S188-F210 VanDerWaalsContact OG-CE2 3.3Å; S188-F210 WeakPolarHBondContact OG-CE2 3.48Å; S188-F210 WeakPolarHBondContact OG-CZ 3.21Å
189	L	91	Very high	79.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.1	175.7	-163.3	78.2	0	0	0	109.5	S179 S180 I207 Y208 A209 I273 F281 I283 V314 F335	S179-L189 CarbonylContact C-O 3.52Å; S179-L189 VanDerWaalsContact CA-O 3.26Å; S179-L189 WeakPolarHBondContact CA-O 3.5Å; S180-L189 PolarHBondContact N-O 2.86Å; S180-L189 PolarHBondContact O-N 2.91Å; L189-I207 HydrophobicContact CD1-CG2 3.54Å; L189-I207 HydrophobicContact CD2-CG2 3.99Å; L189-I207 HydrophobicContact CG-CG2 3.78Å; L189-Y208 WeakPolarHBondContact CA-O 3.4Å; L189-A209 HydrophobicContact CD1-CB 3.72Å; L189-I273 HydrophobicContact CB-CG2 4.28Å; L189-I273 HydrophobicContact CD2-CD1 4.26Å; L189-I273 HydrophobicContact CD2-CG2 3.99Å; L189-I273 HydrophobicContact CG-CD1 4.46Å; L189-F281 HydrophobicContact CB-CD1 4Å; L189-F281 HydrophobicContact CB-CD2 3.87Å; L189-F281 HydrophobicContact CB-CE1 4.1Å; L189-F281 HydrophobicContact CB-CE2 3.98Å; L189-F281 HydrophobicContact CB-CG 3.88Å; L189-F281 HydrophobicContact CB-CZ 4.1Å; L189-F281 HydrophobicContact CD1-CD2 4.37Å; L189-F281 HydrophobicContact CD2-CB 3.71Å; L189-F281 HydrophobicContact CD2-CD2 4.28Å; L189-F281 HydrophobicContact CD2-CG 3.98Å; L189-F281 HydrophobicContact CG-CD2 4.42Å; L189-F281 HydrophobicContact CG-CG 4.45Å; L189-I283 HydrophobicContact CD2-CD1 3.48Å; L189-I283 VanDerWaalsContact CD2-CD1 3.48Å; L189-I283 HydrophobicContact CD2-CG1 3.73Å; L189-V314 HydrophobicContact CD2-CG1 4.3Å; L189-F335 HydrophobicContact CD1-CE1 4.48Å; L189-F335 HydrophobicContact CD1-CZ 3.83Å
190	V	90.9	Very high	78.1	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133	177.7	-177	0	0	0	0	109.1	F84 A168 L171 Y177 V178 I207 Y208 F210	F84-V190 HydrophobicContact CD1-CG2 4.37Å; F84-V190 HydrophobicContact CE1-CG2 3.64Å; F84-V190 HydrophobicContact CZ-CG1 4.48Å; F84-V190 HydrophobicContact CZ-CG2 3.97Å; A168-V190 HydrophobicContact CB-CB 4.03Å; A168-V190 HydrophobicContact CB-CG1 4.48Å; A168-V190 HydrophobicContact CB-CG2 3.8Å; L171-V190 HydrophobicContact CB-CG1 4.46Å; Y177-V190 HydrophobicContact CD2-CG1 3.98Å; V178-V190 WeakPolarHBondContact O-CA 3.24Å; V190-I207 CarbonylContact O-C 3.43Å; V190-I207 WeakPolarHBondContact O-CA 3.29Å; V190-Y208 PolarHBondContact N-O 3.28Å; V190-Y208 PolarHBondContact O-N 3.34Å; V190-F210 HydrophobicContact CG2-CE1 4.01Å
191	A	91.6	Very high	77	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.7	175.7	0	0	0	0	0	111.6	Y177 V178 Q206 I207 F270 I273	Y177-A191 CarbonylContact C-O 3.53Å; Y177-A191 VanDerWaalsContact CA-O 3.29Å; Y177-A191 WeakPolarHBondContact CA-O 3.44Å; V178-A191 HydrophobicContact CG2-CB 4.04Å; V178-A191 PolarHBondContact N-O 3.2Å; V178-A191 PolarHBondContact O-N 3.15Å; A191-Q206 VanDerWaalsContact CA-O 3.26Å; A191-Q206 WeakPolarHBondContact CA-O 3.41Å; A191-I207 HydrophobicContact CB-CG1 3.91Å; A191-F270 HydrophobicContact CB-CD1 3.67Å; A191-F270 HydrophobicContact CB-CD2 4.03Å; A191-F270 HydrophobicContact CB-CE1 3.73Å; A191-F270 HydrophobicContact CB-CE2 4.09Å; A191-F270 HydrophobicContact CB-CG 3.83Å; A191-F270 HydrophobicContact CB-CZ 3.94Å; A191-I273 HydrophobicContact CB-CD1 3.84Å
192	A	89.5	Confident	76.3	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.2	175.5	0	0	0	0	0	110.2	L171 Q206 F270	L171-A192 HydrophobicContact CB-CB 4.23Å; L171-A192 HydrophobicContact CD1-CB 4.3Å; L171-A192 HydrophobicContact CD2-CB 4.42Å; A192-Q206 PolarHBondContact N-O 3.2Å; A192-Q206 PolarHBondContact O-N 3.14Å; A192-F270 VanDerWaalsContact C-CE2 3.49Å; A192-F270 WeakPolarHBondContact O-CE2 3.35Å
193	N	87.7	Confident	75.9	Confident	42 Å²	42	56 Å²	56	23%	0.225	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.3	167.8	-173.6	8.1	0	0	0	109.7	G204 V268 F270	N193-G204 WeakPolarHBondContact OD1-CA 3.27Å; N193-G204 PolarHBondContact OD1-O 2.67Å; N193-V268 PolarHBondContact ND2-O 3.13Å; N193-F270 HydrophobicContact CB-CE2 4.48Å
194	V	80.2	Confident	76.4	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	110	-175.3	-178.1	0	0	0	0	109.6	L171 F174 L202 G204	L171-V194 HydrophobicContact CD2-CG2 3.72Å; F174-V194 HydrophobicContact CD1-CG1 4.34Å; F174-V194 HydrophobicContact CD2-CB 4.4Å; F174-V194 HydrophobicContact CD2-CG1 4.23Å; F174-V194 HydrophobicContact CD2-CG2 3.58Å; F174-V194 HydrophobicContact CE1-CG1 3.7Å; F174-V194 HydrophobicContact CE2-CB 4.11Å; F174-V194 HydrophobicContact CE2-CG1 3.6Å; F174-V194 HydrophobicContact CE2-CG2 3.42Å; F174-V194 VanDerWaalsContact CE2-CG2 3.42Å; F174-V194 HydrophobicContact CG-CG2 4.37Å; F174-V194 HydrophobicContact CZ-CB 4.28Å; F174-V194 HydrophobicContact CZ-CG1 3.3Å; F174-V194 HydrophobicContact CZ-CG2 4.09Å; V194-L202 VanDerWaalsContact CB-O 3.31Å; V194-L202 WeakPolarHBondContact CB-O 3.12Å; V194-L202 HydrophobicContact CG2-CB 4.25Å; V194-L202 WeakPolarHBondContact CG2-O 3.42Å; V194-G204 PolarHBondContact N-O 2.87Å; V194-G204 PolarHBondContact O-N 2.9Å
195	Q	71.5	Confident	77.1	Confident	174 Å²	174	45.9 Å²	45.9	81%	0.813	24%	0.238	S	C	*	.			trans	-92.9	-19.6	177.2	-65.3	-178.1	-19.9	0	0	113.3
196	H	63.7	Low	77.6	Confident	119 Å²	119	44.7 Å²	44.7	55%	0.551	23%	0.231	S	C	*	.	S	Bend	trans	-99.4	141.8	-164.6	-142.6	-63.8	0	0	0	112.8	F174 M198	F174-H196 HydrophobicContact CE1-CB 4.28Å; H196-M198 PolarHBondContact O-N 3.31Å
197	E	55.7	Low	78.2	Confident	162 Å²	162	44.5 Å²	44.5	76%	0.757	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-6.2	-179	-64.3	-177.6	169.9	0	0	115.2	A199 P200	E197-A199 PolarHBondContact O-N 3.34Å; E197-A199 VanDerWaalsContact O-N 3.12Å; E197-P200 WeakPolarHBondContact O-CD 3.39Å
198	M	55.5	Low	78.3	Confident	133 Å²	133	44.7 Å²	44.7	66%	0.655	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	-177.5	-62.8	-172.5	100.2	0	0	113.2	H196	H196-M198 PolarHBondContact O-N 3.31Å
199	A	63.8	Low	78.3	Confident	5 Å²	5	44.7 Å²	44.7	4%	0.041	23%	0.23	C	C	.	.	S	Bend	trans	-136.8	79.4	172.3	0	0	0	0	0	108.7	F174 E197 D201 L202 I203	F174-A199 HydrophobicContact CZ-CB 4.27Å; E197-A199 PolarHBondContact O-N 3.34Å; E197-A199 VanDerWaalsContact O-N 3.12Å; A199-D201 PolarHBondContact O-N 3.08Å; A199-D201 VanDerWaalsContact O-N 3.16Å; A199-L202 HydrophobicContact CB-CB 3.97Å; A199-L202 HydrophobicContact CB-CD1 3.89Å; A199-L202 HydrophobicContact CB-CG 4.11Å; A199-L202 PolarHBondContact O-N 2.87Å; A199-I203 PolarHBondContact O-N 3.22Å
200	P	64	Low	77.8	Confident	94 Å²	94	44.9 Å²	44.9	61%	0.61	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-62.5	-26.1	-173	26	-32.3	0	0	0	112.5	E197 L202 I203	E197-P200 WeakPolarHBondContact O-CD 3.39Å; P200-L202 VanDerWaalsContact C-N 3.28Å; P200-L202 PolarHBondContact O-N 2.8Å; P200-I203 HydrophobicContact CB-CD1 4.17Å
201	D	65.4	Low	77.2	Confident	59 Å²	59	45.1 Å²	45.1	32%	0.316	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-71.7	-18.5	174.7	63.9	-45	0	0	0	114	R170 A199	R170-D201 IonicContact CZ-OD1 2.68Å; R170-D201 IonicContact CZ-OD2 3.69Å; R170-D201 IonicContact NH1-OD1 3.86Å; R170-D201 IonicContact NH1-OD2 2.7Å; R170-D201 PolarHBondContact NH1-OD2 3.21Å; R170-D201 IonicContact NH2-OD1 3.41Å; R170-D201 PolarHBondContact NH2-OD1 3.49Å; R170-D201 IonicContact NH2-OD2 2.85Å; R170-D201 PolarHBondContact NH2-OD2 3.14Å; A199-D201 PolarHBondContact O-N 3.08Å; A199-D201 VanDerWaalsContact O-N 3.16Å
202	L	71.4	Confident	76	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-106.3	-2.1	-179.9	-63.1	178.2	0	0	0	113.4	R170 L171 V194 A199 P200 G204 Q206 Y208	R170-L202 HydrophobicContact CB-CD1 3.83Å; L171-L202 HydrophobicContact CD2-CD1 4.27Å; V194-L202 VanDerWaalsContact CB-O 3.31Å; V194-L202 WeakPolarHBondContact CB-O 3.12Å; V194-L202 HydrophobicContact CG2-CB 4.25Å; V194-L202 WeakPolarHBondContact CG2-O 3.42Å; A199-L202 HydrophobicContact CB-CB 3.97Å; A199-L202 HydrophobicContact CB-CD1 3.89Å; A199-L202 HydrophobicContact CB-CG 4.11Å; A199-L202 PolarHBondContact O-N 2.87Å; P200-L202 VanDerWaalsContact C-N 3.28Å; P200-L202 PolarHBondContact O-N 2.8Å; L202-G204 PolarHBondContact O-N 3.1Å; L202-Q206 WeakPolarHBondContact O-CG 3.34Å; L202-Y208 HydrophobicContact CD2-CE2 4.34Å; L202-Y208 WeakPolarHBondContact CD2-OH 3.29Å
203	I	76.4	Confident	74.6	Confident	86 Å²	86	49.6 Å²	49.6	44%	0.441	26%	0.258	S	S	.	.			trans	-51.8	133.4	-176.5	-70	171.5	0	0	0	110.8	A199 P200	A199-I203 PolarHBondContact O-N 3.22Å; P200-I203 HydrophobicContact CB-CD1 4.17Å
204	G	83.5	Confident	73.2	Confident	16 Å²	16	50.1 Å²	50.1	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.2	-171.4	-179.3	0	0	0	0	0	114.2	N193 V194 L202	N193-G204 WeakPolarHBondContact OD1-CA 3.27Å; N193-G204 PolarHBondContact OD1-O 2.67Å; V194-G204 PolarHBondContact N-O 2.87Å; V194-G204 PolarHBondContact O-N 2.9Å; L202-G204 PolarHBondContact O-N 3.1Å
205	P	89.4	Confident	72.3	Confident	17 Å²	17	56 Å²	56	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.3	179.1	27	-32.4	0	0	0	111.6	S258 F264 V268 F270	P205-S258 WeakPolarHBondContact O-CB 3.15Å; P205-F264 HydrophobicContact CB-CB 4.28Å; P205-F264 HydrophobicContact CB-CD1 4.1Å; P205-F264 HydrophobicContact CB-CD2 3.72Å; P205-F264 HydrophobicContact CB-CE1 4.37Å; P205-F264 HydrophobicContact CB-CE2 3.97Å; P205-F264 HydrophobicContact CB-CG 3.77Å; P205-F264 HydrophobicContact CB-CZ 4.29Å; P205-F264 HydrophobicContact CG-CB 3.48Å; P205-F264 VanDerWaalsContact CG-CB 3.48Å; P205-F264 HydrophobicContact CG-CD1 4.24Å; P205-F264 HydrophobicContact CG-CD2 3.45Å; P205-F264 VanDerWaalsContact CG-CD2 3.45Å; P205-F264 HydrophobicContact CG-CE2 4.18Å; P205-F264 HydrophobicContact CG-CG 3.46Å; P205-F264 VanDerWaalsContact CG-CG 3.46Å; P205-V268 HydrophobicContact CB-CB 3.87Å; P205-V268 HydrophobicContact CB-CG1 3.93Å; P205-V268 HydrophobicContact CB-CG2 3.99Å; P205-V268 HydrophobicContact CG-CB 4.2Å; P205-V268 HydrophobicContact CG-CG2 3.86Å; P205-F270 HydrophobicContact CB-CE2 4.06Å; P205-F270 HydrophobicContact CB-CZ 4.08Å
206	Q	88.3	Confident	72.1	Confident	3 Å²	3	48 Å²	48	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.2	-179.6	-62.2	-65.9	-14.6	0	0	110.5	L171 A191 A192 L202 Y208 S256 S258	L171-Q206 HydrophobicContact CD1-CB 3.75Å; L171-Q206 HydrophobicContact CD2-CB 3.8Å; L171-Q206 HydrophobicContact CD2-CG 4.12Å; L171-Q206 HydrophobicContact CG-CB 4.38Å; A191-Q206 VanDerWaalsContact CA-O 3.26Å; A191-Q206 WeakPolarHBondContact CA-O 3.41Å; A192-Q206 PolarHBondContact N-O 3.2Å; A192-Q206 PolarHBondContact O-N 3.14Å; L202-Q206 WeakPolarHBondContact O-CG 3.34Å; Q206-Y208 HydrophobicContact CB-CD2 4.47Å; Q206-Y208 HydrophobicContact CB-CE2 3.94Å; Q206-Y208 HydrophobicContact CG-CE2 4.47Å; Q206-S256 WeakPolarHBondContact CA-OG 3.41Å; Q206-S258 PolarHBondContact NE2-OG 3.2Å
207	I	90.1	Very high	72.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.8	168.1	-57.9	165	0	0	0	107.6	L189 V190 A191 R255 S256 F264 F270 I283 F335 F338	L189-I207 HydrophobicContact CD1-CG2 3.54Å; L189-I207 HydrophobicContact CD2-CG2 3.99Å; L189-I207 HydrophobicContact CG-CG2 3.78Å; V190-I207 CarbonylContact O-C 3.43Å; V190-I207 WeakPolarHBondContact O-CA 3.29Å; A191-I207 HydrophobicContact CB-CG1 3.91Å; I207-R255 CarbonylContact O-C 3.53Å; I207-R255 WeakPolarHBondContact O-CA 3.32Å; I207-S256 PolarHBondContact N-OG 3.45Å; I207-S256 PolarHBondContact O-N 3.39Å; I207-F264 HydrophobicContact CD1-CE1 4.19Å; I207-F264 HydrophobicContact CD1-CZ 3.58Å; I207-F264 HydrophobicContact CG1-CZ 3.94Å; I207-F270 HydrophobicContact CD1-CE1 4.27Å; I207-F270 HydrophobicContact CG1-CE1 4.07Å; I207-F270 HydrophobicContact CG1-CZ 4.1Å; I207-I283 HydrophobicContact CD1-CD1 3.56Å; I207-I283 HydrophobicContact CG1-CD1 4.35Å; I207-I283 HydrophobicContact CG2-CD1 4.25Å; I207-F335 HydrophobicContact CB-CE2 4.41Å; I207-F335 HydrophobicContact CG2-CE2 3.96Å; I207-F335 HydrophobicContact CG2-CZ 4.31Å; I207-F338 HydrophobicContact CD1-CE2 4.36Å
208	Y	87.7	Confident	73.2	Confident	20 Å²	20	42 Å²	42	8%	0.078	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.9	169.8	-69.2	-86.7	0	0	0	110.6	A167 L171 L189 V190 L202 Q206 R255	A167-Y208 HydrophobicContact CB-CD1 3.58Å; A167-Y208 HydrophobicContact CB-CD2 4.09Å; A167-Y208 HydrophobicContact CB-CE1 3.52Å; A167-Y208 HydrophobicContact CB-CE2 4.06Å; A167-Y208 HydrophobicContact CB-CG 3.87Å; L171-Y208 HydrophobicContact CD1-CD2 3.39Å; L171-Y208 HydrophobicContact CD1-CE2 3.73Å; L171-Y208 HydrophobicContact CD2-CE2 4.28Å; L171-Y208 HydrophobicContact CG-CD2 3.89Å; L171-Y208 HydrophobicContact CG-CE2 3.89Å; L189-Y208 WeakPolarHBondContact CA-O 3.4Å; V190-Y208 PolarHBondContact N-O 3.28Å; V190-Y208 PolarHBondContact O-N 3.34Å; L202-Y208 HydrophobicContact CD2-CE2 4.34Å; L202-Y208 WeakPolarHBondContact CD2-OH 3.29Å; Q206-Y208 HydrophobicContact CB-CD2 4.47Å; Q206-Y208 HydrophobicContact CB-CE2 3.94Å; Q206-Y208 HydrophobicContact CG-CE2 4.47Å; Y208-R255 HydrophobicContact CD1-CB 3.61Å; Y208-R255 HydrophobicContact CE1-CB 3.51Å; Y208-R255 HydrophobicContact CE1-CG 4.35Å; Y208-R255 HydrophobicContact CG-CB 4.44Å
209	A	86.5	Confident	73.9	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.9	165.2	0	0	0	0	0	110.5	H162 S188 L189 W254 F335	H162-A209 PolarHBondContact CE1-O 3.37Å; H162-A209 VanDerWaalsContact CE1-O 3.28Å; S188-A209 VanDerWaalsContact O-CA 3.28Å; S188-A209 WeakPolarHBondContact O-CA 3.41Å; L189-A209 HydrophobicContact CD1-CB 3.72Å; A209-W254 PolarHBondContact N-O 3.16Å; A209-F335 HydrophobicContact CB-CE1 3.55Å; A209-F335 HydrophobicContact CB-CZ 3.5Å; A209-F335 VanDerWaalsContact CB-CZ 3.5Å
210	F	81.9	Confident	74.5	Confident	3 Å²	3	38.2 Å²	38.2	1%	0.013	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	160	163	60.7	-91.9	0	0	0	110.4	F84 M86 H162 L165 A168 Y187 S188 V190	F84-F210 HydrophobicContact CB-CZ 4.04Å; F84-F210 HydrophobicContact CD1-CZ 4.36Å; F84-F210 HydrophobicContact CG-CZ 4.07Å; M86-F210 HydrophobicContact CE-CD2 4.47Å; M86-F210 HydrophobicContact CE-CE2 3.59Å; M86-F210 HydrophobicContact CE-CZ 4.14Å; H162-F210 HydrophobicContact CB-CB 4.46Å; H162-F210 WeakPolarHBondContact CE1-CA 3.24Å; H162-F210 VanDerWaalsContact CE1-CB 3.45Å; H162-F210 WeakPolarHBondContact CE1-CB 3.25Å; H162-F210 WeakPolarHBondContact ND1-CB 3.4Å; L165-F210 HydrophobicContact CB-CB 4.32Å; L165-F210 HydrophobicContact CB-CD1 4.47Å; L165-F210 HydrophobicContact CB-CD2 4.38Å; L165-F210 HydrophobicContact CB-CG 4.16Å; L165-F210 HydrophobicContact CD1-CD1 4.28Å; L165-F210 HydrophobicContact CD1-CD2 4.07Å; L165-F210 HydrophobicContact CD1-CE1 3.98Å; L165-F210 HydrophobicContact CD1-CE2 3.77Å; L165-F210 HydrophobicContact CD1-CG 4.32Å; L165-F210 HydrophobicContact CD1-CZ 3.71Å; A168-F210 HydrophobicContact CB-CD1 3.94Å; A168-F210 HydrophobicContact CB-CE1 3.73Å; Y187-F210 CarbonylContact C-O 3.5Å; Y187-F210 WeakPolarHBondContact CA-O 3.3Å; S188-F210 PolarHBondContact N-O 2.98Å; S188-F210 PolarHBondContact O-N 3.44Å; S188-F210 VanDerWaalsContact OG-CE2 3.3Å; S188-F210 WeakPolarHBondContact OG-CE2 3.48Å; S188-F210 WeakPolarHBondContact OG-CZ 3.21Å; V190-F210 HydrophobicContact CG2-CE1 4.01Å
211	G	77	Confident	74.9	Confident	6 Å²	6	36.1 Å²	36.1	6%	0.062	20%	0.202	C	C	.	.			trans	-155.1	-174.7	-176.5	0	0	0	0	0	112.1	K213	G211-K213 PolarHBondContact O-N 3.22Å
212	P	67.2	Low	75.2	Confident	50 Å²	50	41.7 Å²	41.7	33%	0.325	22%	0.223	S	C	.	.			trans	-66.1	103.3	178.7	27.2	-32.8	0	0	0	109.7	P87 Y187	P87-P212 HydrophobicContact CB-CB 4.38Å; P87-P212 HydrophobicContact CG-CB 4.15Å; Y187-P212 HydrophobicContact CE2-CG 4.08Å
213	K	59.9	Low	75.3	Confident	45 Å²	45	43.9 Å²	43.9	20%	0.196	24%	0.239	C	C	.	.			trans	-83.9	-36.5	-178.6	-173.8	159.4	162	175	0	112.6	T160 I161 H162 G211 F251	T160-K213 WeakPolarHBondContact O-CD 3.42Å; T160-K213 WeakPolarHBondContact O-CE 3.48Å; I161-K213 PolarHBondContact O-NZ 3.42Å; H162-K213 HydrophobicContact CB-CB 4.3Å; H162-K213 HydrophobicContact CB-CD 3.97Å; G211-K213 PolarHBondContact O-N 3.22Å; K213-F251 WeakPolarHBondContact CE-O 3.29Å; K213-F251 PolarHBondContact NZ-O 2.86Å
214	D	58.6	Low	75.1	Confident	54 Å²	54	41.4 Å²	41.4	29%	0.289	23%	0.226	S	C	.	.	S	Bend	trans	-144	161.8	-171.8	-74.5	-50.2	0	0	0	114.4	Y156 T160	Y156-D214 HydrophobicContact CD1-CB 4.38Å; T160-D214 WeakPolarHBondContact CB-OD2 3.38Å; T160-D214 PolarHBondContact OG1-OD2 2.67Å
215	Q	59.9	Low	74.4	Confident	124 Å²	124	49.3 Å²	49.3	58%	0.579	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-67.1	146.1	161.3	-72.6	-179.3	2.3	0	0	109.7	S217	Q215-S217 PolarHBondContact O-N 2.87Å
216	L	68.2	Low	73	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-52.1	141.1	173.4	-67.6	165.4	0	0	0	110.9	P89 F90 P155 Y156 F220 K221	P89-L216 HydrophobicContact CG-CD1 4.2Å; P89-L216 HydrophobicContact CG-CG 4.14Å; F90-L216 HydrophobicContact CD2-CD1 4.44Å; F90-L216 HydrophobicContact CE1-CD1 4.41Å; F90-L216 HydrophobicContact CE2-CD1 3.36Å; F90-L216 HydrophobicContact CZ-CD1 3.33Å; P155-L216 HydrophobicContact CB-CD2 3.63Å; P155-L216 CarbonylContact O-C 3.6Å; P155-L216 WeakPolarHBondContact O-CA 3.46Å; Y156-L216 HydrophobicContact CE1-CD2 4.1Å; L216-F220 HydrophobicContact CB-CD1 4.09Å; L216-F220 HydrophobicContact CD1-CD1 4.18Å; L216-F220 HydrophobicContact CD1-CE1 4.03Å; L216-F220 HydrophobicContact CD2-CD1 3.75Å; L216-F220 HydrophobicContact CD2-CE1 3.73Å; L216-F220 HydrophobicContact CG-CD1 4.22Å; L216-F220 HydrophobicContact CG-CE1 4.36Å; L216-K221 HydrophobicContact CB-CG 4.02Å; L216-K221 WeakPolarHBondContact O-CE 3.26Å; L216-K221 PolarHBondContact O-NZ 3.48Å; L216-K221 VanDerWaalsContact O-NZ 3.09Å
217	S	71.3	Confident	71.1	Confident	34 Å²	34	57 Å²	57	24%	0.238	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-60	143.3	176.7	78.6	0	0	0	0	110.5	L154 P155 Q215 A219 F220 K221	L154-S217 PolarHBondContact O-OG 2.95Å; P155-S217 PolarHBondContact O-N 3.49Å; Q215-S217 PolarHBondContact O-N 2.87Å; S217-A219 PolarHBondContact O-N 2.97Å; S217-F220 WeakPolarHBondContact O-CB 3.4Å; S217-F220 PolarHBondContact O-N 2.96Å; S217-F220 VanDerWaalsContact O-N 3.08Å; S217-F220 WeakPolarHBondContact OG-CB 3.42Å; S217-F220 PolarHBondContact OG-N 3.07Å; S217-F220 VanDerWaalsContact OG-N 3.15Å; S217-K221 PolarHBondContact O-N 3.42Å
218	D	70.3	Confident	69.2	Low	121 Å²	121	63.1 Å²	63.1	65%	0.647	32%	0.32	S	S	*	.	H	α-helix	trans	-65.8	-30.7	-178.8	-64.4	-30.4	0	0	0	112	F220 K221 K222	D218-F220 VanDerWaalsContact C-N 3.35Å; D218-K221 PolarHBondContact O-N 2.87Å; D218-K221 IonicContact OD1-NZ 3.39Å; D218-K221 PolarHBondContact OD1-NZ 3.3Å; D218-K222 VanDerWaalsContact O-CB 3.3Å; D218-K222 WeakPolarHBondContact O-CB 3.28Å; D218-K222 PolarHBondContact O-N 3.46Å
219	A	70.4	Confident	67	Low	59 Å²	59	69 Å²	69	49%	0.488	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-45.3	171.2	0	0	0	0	0	111.6	S217 S223	S217-A219 PolarHBondContact O-N 2.97Å; A219-S223 PolarHBondContact O-N 3Å; A219-S223 PolarHBondContact O-OG 3.08Å
220	F	76.4	Confident	64.8	Low	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-47.5	176.3	177.9	-98.7	0	0	0	112.1	I102 L151 N153 P155 L216 S217 D218 K222 S223 E224 L226	I102-F220 HydrophobicContact CD1-CE1 3.91Å; I102-F220 HydrophobicContact CD1-CE2 4.42Å; I102-F220 HydrophobicContact CD1-CZ 3.49Å; I102-F220 VanDerWaalsContact CD1-CZ 3.49Å; I102-F220 HydrophobicContact CG1-CZ 4.48Å; L151-F220 HydrophobicContact CD1-CD2 4.38Å; L151-F220 HydrophobicContact CD1-CE2 3.5Å; L151-F220 VanDerWaalsContact CD1-CE2 3.5Å; L151-F220 HydrophobicContact CD1-CZ 4.15Å; L151-F220 HydrophobicContact CD2-CE2 3.78Å; L151-F220 HydrophobicContact CG-CE2 4.2Å; N153-F220 WeakPolarHBondContact O-CD2 3.43Å; P155-F220 HydrophobicContact CB-CD1 4.1Å; P155-F220 HydrophobicContact CB-CD2 4.05Å; P155-F220 HydrophobicContact CB-CE1 4.17Å; P155-F220 HydrophobicContact CB-CE2 4.14Å; P155-F220 HydrophobicContact CB-CG 4.02Å; P155-F220 HydrophobicContact CB-CZ 4.18Å; L216-F220 HydrophobicContact CB-CD1 4.09Å; L216-F220 HydrophobicContact CD1-CD1 4.18Å; L216-F220 HydrophobicContact CD1-CE1 4.03Å; L216-F220 HydrophobicContact CD2-CD1 3.75Å; L216-F220 HydrophobicContact CD2-CE1 3.73Å; L216-F220 HydrophobicContact CG-CD1 4.22Å; L216-F220 HydrophobicContact CG-CE1 4.36Å; S217-F220 WeakPolarHBondContact O-CB 3.4Å; S217-F220 PolarHBondContact O-N 2.96Å; S217-F220 VanDerWaalsContact O-N 3.08Å; S217-F220 WeakPolarHBondContact OG-CB 3.42Å; S217-F220 PolarHBondContact OG-N 3.07Å; S217-F220 VanDerWaalsContact OG-N 3.15Å; D218-F220 VanDerWaalsContact C-N 3.35Å; F220-K222 PolarHBondContact O-N 3.07Å; F220-S223 PolarHBondContact O-N 3.18Å; F220-S223 PolarHBondContact O-OG 2.99Å; F220-E224 HydrophobicContact CD1-CG 4.34Å; F220-E224 HydrophobicContact CD2-CG 3.89Å; F220-E224 HydrophobicContact CE1-CG 3.97Å; F220-E224 HydrophobicContact CE2-CG 3.43Å; F220-E224 VanDerWaalsContact CE2-CG 3.43Å; F220-E224 HydrophobicContact CG-CG 4.33Å; F220-E224 HydrophobicContact CZ-CG 3.5Å; F220-E224 WeakPolarHBondContact O-CB 3.04Å; F220-E224 WeakPolarHBondContact O-CG 3.4Å; F220-E224 PolarHBondContact O-N 2.88Å; F220-L226 HydrophobicContact CD1-CD1 4.23Å; F220-L226 HydrophobicContact CE1-CD1 3.71Å; F220-L226 HydrophobicContact CZ-CD1 4.46Å
221	K	73.2	Confident	63	Low	50 Å²	50	72.5 Å²	72.5	22%	0.217	38%	0.384	C	S	.	.	H	α-helix	trans	-55.6	-43.1	177.1	-67.7	176.1	-166.5	144.5	0	111.6	L216 S217 D218 K225 L226	L216-K221 HydrophobicContact CB-CG 4.02Å; L216-K221 WeakPolarHBondContact O-CE 3.26Å; L216-K221 PolarHBondContact O-NZ 3.48Å; L216-K221 VanDerWaalsContact O-NZ 3.09Å; S217-K221 PolarHBondContact O-N 3.42Å; D218-K221 PolarHBondContact O-N 2.87Å; D218-K221 IonicContact OD1-NZ 3.39Å; D218-K221 PolarHBondContact OD1-NZ 3.3Å; K221-K225 PolarHBondContact O-N 2.71Å; K221-L226 HydrophobicContact CB-CB 4.48Å; K221-L226 PolarHBondContact O-N 2.71Å
222	K	72.2	Confident	61.2	Low	176 Å²	176	82 Å²	82	77%	0.765	42%	0.419	S	S	*	.	H	α-helix	trans	-67.6	-43.6	179.3	-172	178.3	-179.7	-179.2	0	112	D218 F220 K225	D218-K222 VanDerWaalsContact O-CB 3.3Å; D218-K222 WeakPolarHBondContact O-CB 3.28Å; D218-K222 PolarHBondContact O-N 3.46Å; F220-K222 PolarHBondContact O-N 3.07Å; K222-K225 PolarHBondContact O-N 3.06Å
223	S	72.4	Confident	59.9	Low	50 Å²	50	86 Å²	86	35%	0.35	43%	0.429	S	S	.	.	H	α-helix	trans	-68.5	-39	-179.3	57.5	0	0	0	0	112.9	N153 A219 F220 K225	N153-S223 WeakPolarHBondContact ND2-CB 3.5Å; N153-S223 PolarHBondContact ND2-OG 2.91Å; N153-S223 VanDerWaalsContact ND2-OG 3.1Å; A219-S223 PolarHBondContact O-N 3Å; A219-S223 PolarHBondContact O-OG 3.08Å; F220-S223 PolarHBondContact O-N 3.18Å; F220-S223 PolarHBondContact O-OG 2.99Å; S223-K225 PolarHBondContact O-N 2.96Å
224	E	73.1	Confident	58.9	Low	34 Å²	34	92.2 Å²	92.2	16%	0.159	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	3.3	178.3	-63.9	-57.3	127.3	0	0	113.1	R135 F220 L226	R135-E224 WeakPolarHBondContact CD-OE2 3.41Å; R135-E224 IonicContact CZ-OE2 3.49Å; R135-E224 IonicContact NE-OE2 3.18Å; R135-E224 IonicContact NH1-OE1 3.81Å; R135-E224 IonicContact NH1-OE2 2.66Å; R135-E224 PolarHBondContact NH1-OE2 2.9Å; F220-E224 HydrophobicContact CD1-CG 4.34Å; F220-E224 HydrophobicContact CD2-CG 3.89Å; F220-E224 HydrophobicContact CE1-CG 3.97Å; F220-E224 HydrophobicContact CE2-CG 3.43Å; F220-E224 VanDerWaalsContact CE2-CG 3.43Å; F220-E224 HydrophobicContact CG-CG 4.33Å; F220-E224 HydrophobicContact CZ-CG 3.5Å; F220-E224 WeakPolarHBondContact O-CB 3.04Å; F220-E224 WeakPolarHBondContact O-CG 3.4Å; F220-E224 PolarHBondContact O-N 2.88Å; E224-L226 HydrophobicContact CB-CD1 3.47Å; E224-L226 VanDerWaalsContact CB-CD1 3.47Å; E224-L226 HydrophobicContact CB-CG 3.62Å; E224-L226 HydrophobicContact CG-CD1 4.16Å; E224-L226 PolarHBondContact O-N 3.44Å; E224-L226 VanDerWaalsContact O-N 3.12Å
225	K	68.1	Low	57.9	Low	182 Å²	182	94.7 Å²	94.7	79%	0.791	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	31.4	-174.9	-57.1	178.4	-178.1	175.4	0	112.9	K221 K222 S223 Q227	K221-K225 PolarHBondContact O-N 2.71Å; K222-K225 PolarHBondContact O-N 3.06Å; S223-K225 PolarHBondContact O-N 2.96Å; K225-Q227 PolarHBondContact O-N 2.69Å
226	L	59.4	Low	57	Low	33 Å²	33	94.1 Å²	94.1	17%	0.173	47%	0.473	C	S	.	.			trans	-77.1	58.4	174.9	-63.6	164.1	0	0	0	109.1	F90 I100 F220 K221 E224	F90-L226 HydrophobicContact CE1-CD2 4.39Å; F90-L226 HydrophobicContact CE2-CD1 3.91Å; F90-L226 HydrophobicContact CE2-CD2 4.16Å; F90-L226 HydrophobicContact CZ-CB 4.11Å; F90-L226 HydrophobicContact CZ-CD1 3.63Å; F90-L226 HydrophobicContact CZ-CD2 3.87Å; F90-L226 HydrophobicContact CZ-CG 4.07Å; I100-L226 HydrophobicContact CD1-CD1 4.23Å; I100-L226 HydrophobicContact CD1-CD2 3.71Å; I100-L226 HydrophobicContact CD1-CG 4.28Å; I100-L226 HydrophobicContact CG1-CD2 4.4Å; F220-L226 HydrophobicContact CD1-CD1 4.23Å; F220-L226 HydrophobicContact CE1-CD1 3.71Å; F220-L226 HydrophobicContact CZ-CD1 4.46Å; K221-L226 HydrophobicContact CB-CB 4.48Å; K221-L226 PolarHBondContact O-N 2.71Å; E224-L226 HydrophobicContact CB-CD1 3.47Å; E224-L226 VanDerWaalsContact CB-CD1 3.47Å; E224-L226 HydrophobicContact CB-CG 3.62Å; E224-L226 HydrophobicContact CG-CD1 4.16Å; E224-L226 PolarHBondContact O-N 3.44Å; E224-L226 VanDerWaalsContact O-N 3.12Å
227	Q	50	Low	55.9	Low	148 Å²	148	101.1 Å²	101.1	69%	0.692	51%	0.508	S	S	*	.			trans	-78.4	127.8	168.8	-71.8	-171.7	-14.2	0	0	108.2	K225 N229	K225-Q227 PolarHBondContact O-N 2.69Å; Q227-N229 PolarHBondContact O-N 2.62Å
228	Q	49.4	Very low	54.7	Low	130 Å²	130	104.3 Å²	104.3	61%	0.607	53%	0.526	S	S	*	.			trans	-69.7	53.3	-179.6	-67.4	178.9	-25.9	0	0	112.3	G230	Q228-G230 VanDerWaalsContact C-N 3.3Å; Q228-G230 PolarHBondContact O-N 3.4Å
229	N	40.9	Very low	53.6	Low	143 Å²	143	101.2 Å²	101.2	77%	0.765	51%	0.514	S	S	*	.	S	Bend	trans	-72.8	89.4	173.3	-74	-1.4	0	0	0	108.2	Q227	Q227-N229 PolarHBondContact O-N 2.62Å
230	G	41.2	Very low	52	Low	46 Å²	46	105.2 Å²	105.2	47%	0.474	52%	0.521	S	S	.	.	S	Bend	trans	124.8	-8	167.9	0	0	0	0	0	117	Q228 Y232	Q228-G230 VanDerWaalsContact C-N 3.3Å; Q228-G230 PolarHBondContact O-N 3.4Å; G230-Y232 PolarHBondContact O-N 2.93Å
231	C	44.1	Very low	50.3	Low	32 Å²	32	114.3 Å²	114.3	22%	0.216	56%	0.555	C	S	.	*			trans	-78	76.4	172.3	-60.8	0	0	0	0	109.6	C95 Y233	C95-C231 WeakPolarHBondContact CB-SG 3.44Å; C95-C231 WeakPolarHBondContact SG-CB 3.48Å; C95-C231 CovalentContact SG-SG 2.06Å; C95-C231 PolarHBondContact SG-SG 2.96Å; C231-Y233 VanDerWaalsContact C-N 3.26Å; C231-Y233 HydrophobicContact CB-CE2 4.28Å; C231-Y233 PolarHBondContact O-N 3Å
232	Y	38.9	Very low	48.8	Very low	207 Å²	207	119 Å²	119	81%	0.812	58%	0.576	S	S	*	*			trans	-67.3	91.2	163.8	-86.1	-87.2	0	0	0	107.7	G230 H234	G230-Y232 PolarHBondContact O-N 2.93Å; Y232-H234 PolarHBondContact O-N 3.42Å; Y232-H234 VanDerWaalsContact O-N 3.11Å
233	Y	40.2	Very low	47.3	Very low	133 Å²	133	115.3 Å²	115.3	52%	0.522	56%	0.564	S	S	.	*			trans	-58.5	115.8	157.6	-75.7	-90.1	0	0	0	106	C231 N235	C231-Y233 VanDerWaalsContact C-N 3.26Å; C231-Y233 HydrophobicContact CB-CE2 4.28Å; C231-Y233 PolarHBondContact O-N 3Å; Y233-N235 PolarHBondContact O-N 3.05Å
234	H	39.7	Very low	45.7	Very low	175 Å²	175	115.6 Å²	115.6	81%	0.81	57%	0.569	S	S	*	*			trans	-57.9	96.1	160	-110.1	-77.8	0	0	0	105.5	Y232 D236	Y232-H234 PolarHBondContact O-N 3.42Å; Y232-H234 VanDerWaalsContact O-N 3.11Å; H234-D236 PolarHBondContact O-N 2.93Å
235	N	36.4	Very low	44.3	Very low	106 Å²	106	119.9 Å²	119.9	57%	0.567	59%	0.589	S	S	*	*			trans	-75.4	67.8	-174.9	-79.5	-42.6	0	0	0	108.3	Y233 I237	Y233-N235 PolarHBondContact O-N 3.05Å; N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.11Å
236	D	41.2	Very low	43.2	Very low	113 Å²	113	116 Å²	116	60%	0.604	57%	0.573	S	S	*	*			trans	-66.2	110.8	156.8	-94.1	-17.9	0	0	0	106.4	H234 T238 S239	H234-D236 PolarHBondContact O-N 2.93Å; D236-T238 PolarHBondContact O-N 2.82Å; D236-S239 WeakPolarHBondContact O-CB 3.41Å; D236-S239 PolarHBondContact O-N 3.15Å; D236-S239 PolarHBondContact O-OG 2.88Å
237	I	46.1	Very low	42.3	Very low	151 Å²	151	119 Å²	119	77%	0.774	59%	0.585	S	S	*	*	H	α-helix	trans	-52.8	-23.2	-177.3	-66.8	169.1	0	0	0	111.5	N235	N235-I237 PolarHBondContact O-N 3.49Å; N235-I237 VanDerWaalsContact O-N 3.11Å
238	T	45.5	Very low	41.9	Very low	101 Å²	101	116.9 Å²	116.9	62%	0.62	58%	0.579	S	S	*	*	H	α-helix	trans	-66.7	-28.3	173.2	39.7	0	0	0	0	114.4	D236 K242	D236-T238 PolarHBondContact O-N 2.82Å; T238-K242 PolarHBondContact O-N 3.3Å
239	S	47.4	Very low	41.8	Very low	56 Å²	56	113.4 Å²	113.4	39%	0.392	56%	0.563	S	S	.	*	H	α-helix	trans	-71.7	-38.4	-179.4	67.5	0	0	0	0	113.1	D236 R241 K242 L243	D236-S239 WeakPolarHBondContact O-CB 3.41Å; D236-S239 PolarHBondContact O-N 3.15Å; D236-S239 PolarHBondContact O-OG 2.88Å; S239-R241 VanDerWaalsContact C-N 3.31Å; S239-R241 PolarHBondContact O-N 2.74Å; S239-K242 PolarHBondContact O-N 3.46Å; S239-L243 PolarHBondContact O-N 3.17Å
240	K	35.3	Very low	42.1	Very low	144 Å²	144	107.7 Å²	107.7	63%	0.626	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-38	178.2	-82.1	-173.5	178.8	176.8	0	112.2	L243 A244	K240-L243 PolarHBondContact O-N 2.9Å; K240-A244 VanDerWaalsContact O-CB 3.23Å; K240-A244 WeakPolarHBondContact O-CB 3.39Å; K240-A244 PolarHBondContact O-N 3.4Å
241	R	41.9	Very low	42.5	Very low	190 Å²	190	109.6 Å²	109.6	72%	0.717	53%	0.526	S	S	*	.	H	α-helix	trans	-67.1	-43.9	178.7	-151.5	176.3	-162.3	155.7	4.6	111.1	S239 E245	S239-R241 VanDerWaalsContact C-N 3.31Å; S239-R241 PolarHBondContact O-N 2.74Å; R241-E245 WeakPolarHBondContact O-CB 3.32Å; R241-E245 WeakPolarHBondContact O-CG 3.31Å; R241-E245 PolarHBondContact O-N 2.91Å
242	K	42.1	Very low	42.8	Very low	150 Å²	150	112.1 Å²	112.1	65%	0.652	54%	0.537	S	S	*	.	H	α-helix	trans	-63.2	-42.4	175.1	-77.3	-176	177.1	177.8	0	112.5	T238 S239 Q246	T238-K242 PolarHBondContact O-N 3.3Å; S239-K242 PolarHBondContact O-N 3.46Å; K242-Q246 WeakPolarHBondContact O-CB 3.35Å; K242-Q246 VanDerWaalsContact O-CG 3.22Å; K242-Q246 WeakPolarHBondContact O-CG 3.22Å; K242-Q246 PolarHBondContact O-N 3.37Å
243	L	40.1	Very low	43.8	Very low	98 Å²	98	102.4 Å²	102.4	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-71.9	-37	-179.3	-138.7	98.2	0	0	0	112.5	S239 K240 Q246 K247	S239-L243 PolarHBondContact O-N 3.17Å; K240-L243 PolarHBondContact O-N 2.9Å; L243-Q246 PolarHBondContact O-N 3.34Å; L243-K247 WeakPolarHBondContact O-CG 2.72Å; L243-K247 PolarHBondContact O-N 2.95Å
244	A	39.2	Very low	45.3	Very low	56 Å²	56	96.5 Å²	96.5	46%	0.463	48%	0.477	S	S	.	.	H	α-helix	trans	-68.3	-38.5	176.8	0	0	0	0	0	112	K240	K240-A244 VanDerWaalsContact O-CB 3.23Å; K240-A244 WeakPolarHBondContact O-CB 3.39Å; K240-A244 PolarHBondContact O-N 3.4Å
245	E	42.3	Very low	47.3	Very low	123 Å²	123	89.2 Å²	89.2	58%	0.575	44%	0.443	S	S	*	.	H	α-helix	trans	-67.2	-36.4	172.7	-75.5	176.2	-174.7	0	0	112.1	R241 N248	R241-E245 WeakPolarHBondContact O-CB 3.32Å; R241-E245 WeakPolarHBondContact O-CG 3.31Å; R241-E245 PolarHBondContact O-N 2.91Å; E245-N248 PolarHBondContact O-N 3.32Å
246	Q	44.8	Very low	49.7	Very low	100 Å²	100	84.2 Å²	84.2	47%	0.467	42%	0.416	S	S	.	.	H	α-helix	trans	-67.9	-38	175.9	-78.9	173.3	-12.8	0	0	113.4	K242 L243 N248 Q249	K242-Q246 WeakPolarHBondContact O-CB 3.35Å; K242-Q246 VanDerWaalsContact O-CG 3.22Å; K242-Q246 WeakPolarHBondContact O-CG 3.22Å; K242-Q246 PolarHBondContact O-N 3.37Å; L243-Q246 PolarHBondContact O-N 3.34Å; Q246-N248 PolarHBondContact O-N 3.4Å; Q246-Q249 PolarHBondContact O-N 2.95Å
247	K	42	Very low	51.7	Low	97 Å²	97	79.6 Å²	79.6	42%	0.422	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-28.8	177.6	-82.4	-177.6	178.6	-174.8	0	113	L243 Q249	L243-K247 WeakPolarHBondContact O-CG 2.72Å; L243-K247 PolarHBondContact O-N 2.95Å; K247-Q249 PolarHBondContact O-N 2.95Å
248	N	41.6	Very low	53.1	Low	104 Å²	104	73.4 Å²	73.4	56%	0.556	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.6	-173.2	-76.4	-15.6	0	0	0	115.1	E245 Q246 F251	E245-N248 PolarHBondContact O-N 3.32Å; Q246-N248 PolarHBondContact O-N 3.4Å; N248-F251 HydrophobicContact CB-CE2 4.06Å; N248-F251 WeakPolarHBondContact O-CD2 3.36Å; N248-F251 WeakPolarHBondContact O-CE2 3.01Å
249	Q	47.9	Very low	54.4	Low	57 Å²	57	75.4 Å²	75.4	27%	0.266	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-26.9	-170.5	-76.1	168.5	-21.7	0	0	114.8	Q246 K247 F251 W254 S513	Q246-Q249 PolarHBondContact O-N 2.95Å; K247-Q249 PolarHBondContact O-N 2.95Å; Q249-F251 PolarHBondContact O-N 3.5Å; Q249-W254 WeakPolarHBondContact O-CZ2 3.3Å; Q249-S513 PolarHBondContact OE1-O 3.44Å
250	F	46.6	Very low	55.9	Low	22 Å²	22	73.2 Å²	73.2	10%	0.096	34%	0.344	C	S	.	.			trans	-101.6	42.9	-173.6	-154	-89.5	0	0	0	113.2	H162 Y187 W254	H162-F250 AromaticContact NE2-CD1 3.69Å; H162-F250 AromaticContact NE2-CE1 3.36Å; H162-F250 WeakPolarHBondContact NE2-CE1 3.17Å; Y187-F250 HydrophobicContact CD1-CE1 4.1Å; Y187-F250 HydrophobicContact CD1-CE2 4.14Å; Y187-F250 AromaticContact CD1-CZ 3.71Å; Y187-F250 HydrophobicContact CD1-CZ 3.71Å; Y187-F250 HydrophobicContact CE1-CD1 4.02Å; Y187-F250 AromaticContact CE1-CD2 3.95Å; Y187-F250 HydrophobicContact CE1-CD2 3.95Å; Y187-F250 AromaticContact CE1-CE1 3.66Å; Y187-F250 HydrophobicContact CE1-CE1 3.66Å; Y187-F250 AromaticContact CE1-CE2 3.56Å; Y187-F250 HydrophobicContact CE1-CE2 3.56Å; Y187-F250 HydrophobicContact CE1-CG 4.18Å; Y187-F250 AromaticContact CE1-CZ 3.43Å; Y187-F250 HydrophobicContact CE1-CZ 3.43Å; Y187-F250 VanDerWaalsContact CE1-CZ 3.43Å; F250-W254 AromaticContact CD2-CD1 3.86Å; F250-W254 AromaticContact CD2-NE1 3.17Å; F250-W254 AromaticContact CE2-CD1 3.22Å; F250-W254 AromaticContact CE2-NE1 3.06Å; F250-W254 AromaticContact CG-NE1 3.93Å; F250-W254 AromaticContact CZ-CD1 3.54Å; F250-W254 AromaticContact CZ-NE1 3.72Å
251	F	48.6	Very low	57.9	Low	86 Å²	86	71.4 Å²	71.4	38%	0.377	34%	0.336	S	S	.	.	S	Bend	trans	-76.8	-28.8	-169.9	-78.5	-65.4	0	0	0	115.4	K213 N248 Q249	K213-F251 WeakPolarHBondContact CE-O 3.29Å; K213-F251 PolarHBondContact NZ-O 2.86Å; N248-F251 HydrophobicContact CB-CE2 4.06Å; N248-F251 WeakPolarHBondContact O-CD2 3.36Å; N248-F251 WeakPolarHBondContact O-CE2 3.01Å; Q249-F251 PolarHBondContact O-N 3.5Å
252	D	51.9	Low	59.9	Low	85 Å²	85	62.7 Å²	62.7	46%	0.455	30%	0.303	S	S	.	.	S	Bend	trans	-114.9	-2.3	-160.5	-68	-27.8	0	0	0	116.1	P163	P163-D252 WeakPolarHBondContact CG-O 3.44Å
253	G	58.7	Low	62.1	Low	4 Å²	4	55.5 Å²	55.5	4%	0.041	27%	0.272	C	S	.	.			trans	64.6	132.2	-173.6	0	0	0	0	0	113.6	H162	H162-G253 WeakPolarHBondContact CE1-CA 3.49Å; H162-G253 PolarHBondContact CE1-N 2.82Å; H162-G253 VanDerWaalsContact NE2-CA 3.25Å; H162-G253 WeakPolarHBondContact NE2-CA 3.5Å; H162-G253 PolarHBondContact NE2-N 3.23Å
254	W	72	Confident	64.5	Low	8 Å²	8	51.2 Å²	51.2	3%	0.03	25%	0.249	C	C	.	.			trans	-99.4	139	-173.7	-48.9	113.3	0	0	0	110	A209 Q249 F250 D318 P319 G320 G333 F335	A209-W254 PolarHBondContact N-O 3.16Å; Q249-W254 WeakPolarHBondContact O-CZ2 3.3Å; F250-W254 AromaticContact CD2-CD1 3.86Å; F250-W254 AromaticContact CD2-NE1 3.17Å; F250-W254 AromaticContact CE2-CD1 3.22Å; F250-W254 AromaticContact CE2-NE1 3.06Å; F250-W254 AromaticContact CG-NE1 3.93Å; F250-W254 AromaticContact CZ-CD1 3.54Å; F250-W254 AromaticContact CZ-NE1 3.72Å; W254-D318 PolarHBondContact NE1-O 3.41Å; W254-P319 WeakPolarHBondContact CH2-O 3.44Å; W254-P319 VanDerWaalsContact CZ2-C 3.49Å; W254-P319 WeakPolarHBondContact CZ2-O 3.34Å; W254-G320 VanDerWaalsContact CE3-CA 3.46Å; W254-G320 VanDerWaalsContact CZ3-CA 3.42Å; W254-G333 WeakPolarHBondContact CA-O 2.89Å; W254-G333 VanDerWaalsContact CE3-C 3.42Å; W254-G333 VanDerWaalsContact CE3-CA 3.42Å; W254-F335 HydrophobicContact CB-CD1 3.39Å; W254-F335 HydrophobicContact CB-CD2 4.38Å; W254-F335 HydrophobicContact CB-CE1 3.39Å; W254-F335 HydrophobicContact CB-CE2 4.35Å; W254-F335 HydrophobicContact CB-CG 3.93Å; W254-F335 HydrophobicContact CB-CZ 3.88Å; W254-F335 HydrophobicContact CG-CD1 4.23Å; W254-F335 HydrophobicContact CG-CE1 4.36Å; W254-F335 WeakPolarHBondContact O-CE2 3.41Å; W254-F335 WeakPolarHBondContact O-CZ 3.26Å
255	R	82	Confident	66.6	Low	22 Å²	22	49.1 Å²	49.1	8%	0.083	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-122.9	165.2	178.6	65.3	175.1	171.3	167.8	-1.5	112.5	I207 Y208 G333 V334 F335	I207-R255 CarbonylContact O-C 3.53Å; I207-R255 WeakPolarHBondContact O-CA 3.32Å; Y208-R255 HydrophobicContact CD1-CB 3.61Å; Y208-R255 HydrophobicContact CE1-CB 3.51Å; Y208-R255 HydrophobicContact CE1-CG 4.35Å; Y208-R255 HydrophobicContact CG-CB 4.44Å; R255-G333 WeakPolarHBondContact CG-O 3.47Å; R255-G333 PolarHBondContact N-O 3.31Å; R255-V334 HydrophobicContact CG-CG2 4.33Å; R255-V334 WeakPolarHBondContact O-CA 3.46Å; R255-F335 VanDerWaalsContact C-CD2 3.5Å; R255-F335 VanDerWaalsContact O-CD2 3.27Å; R255-F335 WeakPolarHBondContact O-CD2 3.4Å; R255-F335 PolarHBondContact O-N 3.48Å
256	S	86.6	Confident	68.5	Low	2 Å²	2	46.7 Å²	46.7	1%	0.014	22%	0.222	C	C	.	.			trans	-70.8	148.8	167.7	53.2	0	0	0	0	112.8	Q206 I207 S258 W263	Q206-S256 WeakPolarHBondContact CA-OG 3.41Å; I207-S256 PolarHBondContact N-OG 3.45Å; I207-S256 PolarHBondContact O-N 3.39Å; S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.49Å; S256-S258 VanDerWaalsContact O-N 3.11Å; S256-W263 VanDerWaalsContact CB-CZ3 3.5Å
257	N	82.7	Confident	70.3	Confident	15 Å²	15	47.3 Å²	47.3	8%	0.08	23%	0.228	C	C	.	.			trans	-82.6	77.5	164.7	-176.9	4.1	0	0	0	110	Y259 S260 W263 V334	N257-Y259 PolarHBondContact O-N 3.42Å; N257-Y259 VanDerWaalsContact O-N 3.14Å; N257-S260 PolarHBondContact O-N 3.31Å; N257-S260 VanDerWaalsContact O-N 3.09Å; N257-W263 HydrophobicContact CB-CD2 4.02Å; N257-W263 HydrophobicContact CB-CG 4.09Å; N257-W263 HydrophobicContact CB-CZ2 4.11Å; N257-W263 WeakPolarHBondContact O-CB 3.48Å; N257-V334 HydrophobicContact CB-CG1 4Å
258	S	76.8	Confident	72.6	Confident	21 Å²	21	43 Å²	43	15%	0.147	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.9	-175.1	60.9	0	0	0	0	114.3	P205 Q206 S256 S260	P205-S258 WeakPolarHBondContact O-CB 3.15Å; Q206-S258 PolarHBondContact NE2-OG 3.2Å; S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.49Å; S256-S258 VanDerWaalsContact O-N 3.11Å; S258-S260 VanDerWaalsContact C-N 3.31Å
259	Y	72.4	Confident	75	Confident	144 Å²	144	42 Å²	42	57%	0.565	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15	179.3	-59.5	-72.1	0	0	0	113.2	N257	N257-Y259 PolarHBondContact O-N 3.42Å; N257-Y259 VanDerWaalsContact O-N 3.14Å
260	S	78.2	Confident	77.2	Confident	10 Å²	10	40.1 Å²	40.1	7%	0.07	19%	0.193	C	C	.	.			trans	-87.6	121.4	179.7	177.7	0	0	0	0	111.4	N257 S258 L262 W263 F264	N257-S260 PolarHBondContact O-N 3.31Å; N257-S260 VanDerWaalsContact O-N 3.09Å; S258-S260 VanDerWaalsContact C-N 3.31Å; S260-L262 PolarHBondContact O-N 3.09Å; S260-L262 VanDerWaalsContact O-N 3.14Å; S260-L262 PolarHBondContact OG-N 3.08Å; S260-W263 WeakPolarHBondContact O-CB 3.25Å; S260-W263 PolarHBondContact O-N 3.09Å; S260-F264 PolarHBondContact O-N 2.82Å
261	K	77.8	Confident	79.4	Confident	105 Å²	105	40.7 Å²	40.7	46%	0.457	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.4	172	-69.4	-162.8	175.3	-157.9	0	113.4	F264 E266 L448	K261-F264 CarbonylContact C-O 3.54Å; K261-F264 WeakPolarHBondContact CA-O 3.31Å; K261-F264 CarbonylContact O-C 3.59Å; K261-E266 IonicContact NZ-OE1 2.79Å; K261-L448 HydrophobicContact CB-CD1 4.41Å
262	L	84.4	Confident	81.5	Confident	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.3	174.2	-74.7	172.2	0	0	0	112.3	S260 I290 K340 I446 L448 L526 P528 L529	S260-L262 PolarHBondContact O-N 3.09Å; S260-L262 VanDerWaalsContact O-N 3.14Å; S260-L262 PolarHBondContact OG-N 3.08Å; L262-I290 HydrophobicContact CD2-CD1 3.79Å; L262-K340 WeakPolarHBondContact O-CE 3.38Å; L262-K340 PolarHBondContact O-NZ 3.39Å; L262-I446 HydrophobicContact CD2-CG2 4.3Å; L262-L448 HydrophobicContact CD1-CG 4.46Å; L262-L448 HydrophobicContact CD2-CD1 4.22Å; L262-L448 HydrophobicContact CD2-CD2 4.42Å; L262-L448 HydrophobicContact CD2-CG 3.86Å; L262-L448 HydrophobicContact CG-CD1 4.03Å; L262-L448 HydrophobicContact CG-CG 4.07Å; L262-L526 VanDerWaalsContact CD1-O 3.28Å; L262-L526 WeakPolarHBondContact CD1-O 3.42Å; L262-P528 WeakPolarHBondContact O-CG 3.46Å; L262-L529 HydrophobicContact CD2-CB 4.49Å; L262-L529 HydrophobicContact CD2-CD2 4.43Å
263	W	88.5	Confident	83.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-49.5	172.1	-82.8	67.2	0	0	0	111.5	S256 N257 S260 V334 F335 F338 K340 T525 P528	S256-W263 VanDerWaalsContact CB-CZ3 3.5Å; N257-W263 HydrophobicContact CB-CD2 4.02Å; N257-W263 HydrophobicContact CB-CG 4.09Å; N257-W263 HydrophobicContact CB-CZ2 4.11Å; N257-W263 WeakPolarHBondContact O-CB 3.48Å; S260-W263 WeakPolarHBondContact O-CB 3.25Å; S260-W263 PolarHBondContact O-N 3.09Å; W263-V334 HydrophobicContact CH2-CG1 3.82Å; W263-V334 HydrophobicContact CZ2-CG1 3.51Å; W263-F335 HydrophobicContact CH2-CB 3.97Å; W263-F335 HydrophobicContact CH2-CD2 4.06Å; W263-F335 HydrophobicContact CZ3-CD2 4.23Å; W263-F338 HydrophobicContact CD2-CD1 4.19Å; W263-F338 HydrophobicContact CD2-CE1 4.42Å; W263-F338 AromaticContact CE3-CD1 3.62Å; W263-F338 HydrophobicContact CE3-CD1 3.62Å; W263-F338 AromaticContact CE3-CE1 3.79Å; W263-F338 HydrophobicContact CE3-CE1 3.79Å; W263-F338 HydrophobicContact CE3-CG 4.45Å; W263-F338 HydrophobicContact CH2-CB 3.97Å; W263-F338 AromaticContact CH2-CD1 3.93Å; W263-F338 HydrophobicContact CH2-CD1 3.93Å; W263-F338 HydrophobicContact CH2-CG 4.19Å; W263-F338 HydrophobicContact CZ2-CD1 4.41Å; W263-F338 HydrophobicContact CZ3-CB 4.14Å; W263-F338 AromaticContact CZ3-CD1 3.44Å; W263-F338 HydrophobicContact CZ3-CD1 3.44Å; W263-F338 VanDerWaalsContact CZ3-CD1 3.44Å; W263-F338 HydrophobicContact CZ3-CE1 4.01Å; W263-F338 AromaticContact CZ3-CG 3.85Å; W263-F338 HydrophobicContact CZ3-CG 3.85Å; W263-K340 VanDerWaalsContact C-NZ 3.34Å; W263-K340 WeakPolarHBondContact O-CE 3.35Å; W263-K340 PolarHBondContact O-NZ 3.01Å; W263-T525 PolarHBondContact NE1-O 3.27Å; W263-P528 HydrophobicContact CB-CG 4.43Å; W263-P528 VanDerWaalsContact CD1-CG 3.49Å; W263-P528 HydrophobicContact CD2-CG 4.09Å; W263-P528 HydrophobicContact CG-CG 3.79Å
264	F	89	Confident	85.2	Confident	7 Å²	7	34.9 Å²	34.9	3%	0.031	17%	0.172	C	C	.	.			trans	-140	128.6	-176.6	-62.5	-59	0	0	0	110.8	P205 I207 S260 K261 V268 F270 F285 E287	P205-F264 HydrophobicContact CB-CB 4.28Å; P205-F264 HydrophobicContact CB-CD1 4.1Å; P205-F264 HydrophobicContact CB-CD2 3.72Å; P205-F264 HydrophobicContact CB-CE1 4.37Å; P205-F264 HydrophobicContact CB-CE2 3.97Å; P205-F264 HydrophobicContact CB-CG 3.77Å; P205-F264 HydrophobicContact CB-CZ 4.29Å; P205-F264 HydrophobicContact CG-CB 3.48Å; P205-F264 VanDerWaalsContact CG-CB 3.48Å; P205-F264 HydrophobicContact CG-CD1 4.24Å; P205-F264 HydrophobicContact CG-CD2 3.45Å; P205-F264 VanDerWaalsContact CG-CD2 3.45Å; P205-F264 HydrophobicContact CG-CE2 4.18Å; P205-F264 HydrophobicContact CG-CG 3.46Å; P205-F264 VanDerWaalsContact CG-CG 3.46Å; I207-F264 HydrophobicContact CD1-CE1 4.19Å; I207-F264 HydrophobicContact CD1-CZ 3.58Å; I207-F264 HydrophobicContact CG1-CZ 3.94Å; S260-F264 PolarHBondContact O-N 2.82Å; K261-F264 CarbonylContact C-O 3.54Å; K261-F264 WeakPolarHBondContact CA-O 3.31Å; K261-F264 CarbonylContact O-C 3.59Å; F264-V268 HydrophobicContact CB-CG2 3.86Å; F264-V268 HydrophobicContact CD1-CG1 4.38Å; F264-V268 HydrophobicContact CD1-CG2 4.11Å; F264-V268 HydrophobicContact CG-CG2 4.26Å; F264-F270 HydrophobicContact CE1-CE1 4.08Å; F264-F270 AromaticContact CE1-CZ 3.92Å; F264-F270 HydrophobicContact CE1-CZ 3.92Å; F264-F270 HydrophobicContact CZ-CE1 4.41Å; F264-F270 HydrophobicContact CZ-CZ 4.01Å; F264-F285 AromaticContact CD1-CE2 3.93Å; F264-F285 HydrophobicContact CD1-CE2 3.93Å; F264-F285 HydrophobicContact CD1-CZ 4.21Å; F264-F285 HydrophobicContact CE1-CE2 4.17Å; F264-F285 HydrophobicContact CE1-CZ 4.1Å; F264-E287 WeakPolarHBondContact CA-OE2 3Å
265	G	83.9	Confident	86.2	Confident	12 Å²	12	36.5 Å²	36.5	12%	0.124	18%	0.184	C	C	.	.			trans	-70.1	-166	162.9	0	0	0	0	0	111.7	V268 E287	G265-V268 WeakPolarHBondContact O-CG2 3.39Å; G265-E287 PolarHBondContact N-OE2 2.04Å
266	E	81.7	Confident	86.8	Confident	72 Å²	72	35.8 Å²	35.8	34%	0.336	18%	0.182	S	C	.	.	S	Bend	trans	-81.8	165	174.1	-57.9	-179.3	-169.5	0	0	110.9	K261 V268 Q288 Y294	K261-E266 IonicContact NZ-OE1 2.79Å; E266-V268 VanDerWaalsContact C-N 3.34Å; E266-V268 PolarHBondContact O-N 2.82Å; E266-Q288 HydrophobicContact CB-CB 4.07Å; E266-Q288 PolarHBondContact O-N 2.95Å; E266-Q288 PolarHBondContact OE2-OE1 2.66Å; E266-Y294 WeakPolarHBondContact OE1-CE2 3.38Å; E266-Y294 PolarHBondContact OE1-OH 2.79Å
267	N	83.3	Confident	86.9	Confident	113 Å²	113	41.4 Å²	41.4	60%	0.604	21%	0.212	S	C	*	.	S	Bend	trans	53.8	41.9	174	-58.9	-39.7	0	0	0	115	Q269	N267-Q269 PolarHBondContact O-N 2.92Å
268	V	90.5	Very high	87.2	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.042	22%	0.219	C	C	.	.			trans	-64.2	132.6	-179.1	178.2	0	0	0	0	112.2	N193 P205 F264 G265 E266 F270 F285 T286 E287	N193-V268 PolarHBondContact ND2-O 3.13Å; P205-V268 HydrophobicContact CB-CB 3.87Å; P205-V268 HydrophobicContact CB-CG1 3.93Å; P205-V268 HydrophobicContact CB-CG2 3.99Å; P205-V268 HydrophobicContact CG-CB 4.2Å; P205-V268 HydrophobicContact CG-CG2 3.86Å; F264-V268 HydrophobicContact CB-CG2 3.86Å; F264-V268 HydrophobicContact CD1-CG1 4.38Å; F264-V268 HydrophobicContact CD1-CG2 4.11Å; F264-V268 HydrophobicContact CG-CG2 4.26Å; G265-V268 WeakPolarHBondContact O-CG2 3.39Å; E266-V268 VanDerWaalsContact C-N 3.34Å; E266-V268 PolarHBondContact O-N 2.82Å; V268-F270 HydrophobicContact CG1-CD2 4.29Å; V268-F270 HydrophobicContact CG1-CE1 4.34Å; V268-F270 HydrophobicContact CG1-CE2 3.92Å; V268-F270 HydrophobicContact CG1-CZ 3.96Å; V268-F285 HydrophobicContact CG1-CB 4.46Å; V268-F285 HydrophobicContact CG1-CD2 3.98Å; V268-T286 CarbonylContact C-O 3.25Å; V268-T286 WeakPolarHBondContact CA-O 3.29Å; V268-E287 HydrophobicContact CG2-CB 4.05Å
269	Q	91.6	Very high	87.9	Confident	83 Å²	83	44.9 Å²	44.9	39%	0.388	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.2	170.8	-176.6	-177.2	0.5	0	0	109.4	N267 L271 F285 T286	N267-Q269 PolarHBondContact O-N 2.92Å; Q269-L271 HydrophobicContact CG-CD2 4.16Å; Q269-F285 CarbonylContact O-C 3.28Å; Q269-F285 WeakPolarHBondContact O-CA 3.11Å; Q269-F285 VanDerWaalsContact O-CB 3.26Å; Q269-F285 WeakPolarHBondContact O-CB 3.09Å; Q269-T286 PolarHBondContact N-O 2.76Å; Q269-T286 PolarHBondContact O-N 3.5Å
270	F	93.6	Very high	89	Confident	18 Å²	18	38.6 Å²	38.6	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.6	173	-63.1	-77.4	0	0	0	110.2	V178 A191 A192 N193 P205 I207 F264 V268 I283 F285	V178-F270 HydrophobicContact CG2-CB 3.64Å; V178-F270 HydrophobicContact CG2-CG 4.38Å; A191-F270 HydrophobicContact CB-CD1 3.67Å; A191-F270 HydrophobicContact CB-CD2 4.03Å; A191-F270 HydrophobicContact CB-CE1 3.73Å; A191-F270 HydrophobicContact CB-CE2 4.09Å; A191-F270 HydrophobicContact CB-CG 3.83Å; A191-F270 HydrophobicContact CB-CZ 3.94Å; A192-F270 VanDerWaalsContact C-CE2 3.49Å; A192-F270 WeakPolarHBondContact O-CE2 3.35Å; N193-F270 HydrophobicContact CB-CE2 4.48Å; P205-F270 HydrophobicContact CB-CE2 4.06Å; P205-F270 HydrophobicContact CB-CZ 4.08Å; I207-F270 HydrophobicContact CD1-CE1 4.27Å; I207-F270 HydrophobicContact CG1-CE1 4.07Å; I207-F270 HydrophobicContact CG1-CZ 4.1Å; F264-F270 HydrophobicContact CE1-CE1 4.08Å; F264-F270 AromaticContact CE1-CZ 3.92Å; F264-F270 HydrophobicContact CE1-CZ 3.92Å; F264-F270 HydrophobicContact CZ-CE1 4.41Å; F264-F270 HydrophobicContact CZ-CZ 4.01Å; V268-F270 HydrophobicContact CG1-CD2 4.29Å; V268-F270 HydrophobicContact CG1-CE1 4.34Å; V268-F270 HydrophobicContact CG1-CE2 3.92Å; V268-F270 HydrophobicContact CG1-CZ 3.96Å; F270-I283 HydrophobicContact CD1-CG2 3.87Å; F270-I283 HydrophobicContact CE1-CG2 4.16Å; F270-F285 HydrophobicContact CD1-CB 3.84Å; F270-F285 HydrophobicContact CD1-CD1 4.5Å; F270-F285 HydrophobicContact CD1-CG 4.32Å; F270-F285 HydrophobicContact CE1-CB 4.35Å; F270-F285 HydrophobicContact CE1-CD1 4.45Å; F270-F285 HydrophobicContact CE1-CG 4.38Å; F270-F285 HydrophobicContact CG-CB 4.43Å
271	L	93.2	Very high	89.9	Confident	34 Å²	34	38.2 Å²	38.2	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-45.9	-177	-59.9	178.5	0	0	0	111.4	Q269 I284 T286 A395 V398	Q269-L271 HydrophobicContact CG-CD2 4.16Å; L271-I284 WeakPolarHBondContact CB-O 3.33Å; L271-I284 HydrophobicContact CD1-CG2 4.43Å; L271-I284 PolarHBondContact N-O 3.01Å; L271-T286 HydrophobicContact CD1-CG2 4.09Å; L271-A395 HydrophobicContact CD1-CB 3.53Å; L271-V398 HydrophobicContact CB-CG2 4.18Å; L271-V398 HydrophobicContact CD1-CG2 3.93Å
272	S	93.5	Very high	90.8	Very high	19 Å²	19	33.3 Å²	33.3	13%	0.133	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	154.1	-179.3	63.6	0	0	0	0	112.9	I283 I284	S272-I283 WeakPolarHBondContact O-CA 3.34Å; S272-I284 PolarHBondContact N-O 2.77Å; S272-I284 PolarHBondContact O-N 3.14Å
273	I	94.6	Very high	91.5	Very high	17 Å²	17	33 Å²	33	9%	0.087	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.7	165.9	-58.2	177.4	0	0	0	107.9	V178 S180 L189 A191 F281 Y282 I283	V178-I273 HydrophobicContact CB-CD1 4.32Å; V178-I273 HydrophobicContact CB-CG1 4.3Å; V178-I273 HydrophobicContact CG2-CD1 3.7Å; V178-I273 HydrophobicContact CG2-CG1 3.74Å; V178-I273 WeakPolarHBondContact O-CD1 3.45Å; S180-I273 VanDerWaalsContact CB-CG2 3.46Å; L189-I273 HydrophobicContact CB-CG2 4.28Å; L189-I273 HydrophobicContact CD2-CD1 4.26Å; L189-I273 HydrophobicContact CD2-CG2 3.99Å; L189-I273 HydrophobicContact CG-CD1 4.46Å; A191-I273 HydrophobicContact CB-CD1 3.84Å; I273-F281 HydrophobicContact CG2-CD1 4.18Å; I273-Y282 CarbonylContact C-O 3.52Å; I273-Y282 VanDerWaalsContact CA-O 3.27Å; I273-Y282 WeakPolarHBondContact CA-O 3.29Å; I273-I283 HydrophobicContact CG1-CG1 4.47Å; I273-I283 HydrophobicContact CG1-CG2 4.24Å
274	S	94	Very high	91.9	Very high	17 Å²	17	33 Å²	33	12%	0.119	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.8	175.8	-56.3	0	0	0	0	110.8	F281 Y282	S274-F281 WeakPolarHBondContact O-CA 3.35Å; S274-Y282 PolarHBondContact N-O 2.96Å; S274-Y282 PolarHBondContact O-N 2.99Å
275	S	93	Very high	92.3	Very high	42 Å²	42	32.7 Å²	32.7	29%	0.294	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.5	166.2	47.7	0	0	0	0	109.4	S180	S180-S275 PolarHBondContact OG-N 2.88Å
276	V	93.3	Very high	92.8	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.9	-175.9	176.7	0	0	0	0	110.3	S278 K279 Y280 Y282 I401 L433	V276-S278 PolarHBondContact O-N 3.46Å; V276-K279 PolarHBondContact O-N 2.79Å; V276-Y280 PolarHBondContact N-O 2.01Å; V276-Y280 PolarHBondContact O-N 2.81Å; V276-Y282 HydrophobicContact CB-CD2 3.93Å; V276-Y282 HydrophobicContact CB-CE2 3.78Å; V276-Y282 HydrophobicContact CG1-CE2 4.22Å; V276-Y282 HydrophobicContact CG2-CD2 3.74Å; V276-Y282 HydrophobicContact CG2-CE2 4.05Å; V276-I401 HydrophobicContact CG2-CG2 4.4Å; V276-L433 HydrophobicContact CB-CD1 4.38Å; V276-L433 HydrophobicContact CG1-CD1 3.93Å; V276-L433 HydrophobicContact CG2-CD1 4Å
277	N	89.8	Confident	93.2	Very high	119 Å²	119	28.7 Å²	28.7	64%	0.636	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	22.5	176	-63.4	-25.3	0	0	0	115	K279 H410	N277-K279 PolarHBondContact O-N 2.87Å; N277-H410 PolarHBondContact OD1-CE1 2.99Å; N277-H410 VanDerWaalsContact OD1-CE1 3.24Å
278	S	88.2	Confident	93.3	Very high	34 Å²	34	24.3 Å²	24.3	24%	0.238	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	27.5	-176.6	-65.8	0	0	0	0	114.5	D182 K184 T185 V276 Q316	D182-S278 WeakPolarHBondContact OD2-CA 3.49Å; D182-S278 PolarHBondContact OD2-OG 3.29Å; K184-S278 WeakPolarHBondContact CD-OG 3.38Å; T185-S278 VanDerWaalsContact CG2-CB 3.4Å; T185-S278 WeakPolarHBondContact CG2-O 3.48Å; V276-S278 PolarHBondContact O-N 3.46Å; S278-Q316 VanDerWaalsContact C-OE1 3.3Å; S278-Q316 PolarHBondContact O-OE1 3.37Å
279	K	91.8	Very high	92.8	Very high	76 Å²	76	24.8 Å²	24.8	33%	0.33	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-43.7	-173.8	-172.7	177.4	177.2	-163.9	0	111.7	V276 N277 C315 Q316 K509	V276-K279 PolarHBondContact O-N 2.79Å; N277-K279 PolarHBondContact O-N 2.87Å; K279-C315 WeakPolarHBondContact O-CA 3.23Å; K279-Q316 PolarHBondContact O-N 3.42Å; K279-K509 PolarHBondContact NZ-O 2.88Å
280	Y	95.5	Very high	91.9	Very high	12 Å²	12	22.3 Å²	22.3	5%	0.047	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152	-173.6	-64.2	-64.5	0	0	0	112.6	V276 Y282 R313 V314 Q316 S508 K509 C511	V276-Y280 PolarHBondContact N-O 2.01Å; V276-Y280 PolarHBondContact O-N 2.81Å; Y280-Y282 HydrophobicContact CG-CE2 4.46Å; Y280-R313 HydrophobicContact CD1-CG 3.53Å; Y280-R313 HydrophobicContact CD2-CG 4.42Å; Y280-R313 HydrophobicContact CE1-CG 4.08Å; Y280-R313 HydrophobicContact CG-CG 3.71Å; Y280-V314 WeakPolarHBondContact CA-O 3.44Å; Y280-Q316 PolarHBondContact O-NE2 2.98Å; Y280-S508 WeakPolarHBondContact CE1-O 3.4Å; Y280-S508 PolarHBondContact OH-O 2.83Å; Y280-S508 VanDerWaalsContact OH-O 3.09Å; Y280-K509 VanDerWaalsContact OH-C 3.24Å; Y280-K509 WeakPolarHBondContact OH-CA 3.35Å; Y280-K509 PolarHBondContact OH-O 2.8Å; Y280-C511 WeakPolarHBondContact CE1-SG 3.29Å
281	F	96.6	Very high	90.1	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.1	151.4	-67.2	-72.3	0	0	0	109.2	Y187 L189 I273 S274 R313 V314 Q316	Y187-F281 WeakPolarHBondContact O-CZ 3.49Å; L189-F281 HydrophobicContact CB-CD1 4Å; L189-F281 HydrophobicContact CB-CD2 3.87Å; L189-F281 HydrophobicContact CB-CE1 4.1Å; L189-F281 HydrophobicContact CB-CE2 3.98Å; L189-F281 HydrophobicContact CB-CG 3.88Å; L189-F281 HydrophobicContact CB-CZ 4.1Å; L189-F281 HydrophobicContact CD1-CD2 4.37Å; L189-F281 HydrophobicContact CD2-CB 3.71Å; L189-F281 HydrophobicContact CD2-CD2 4.28Å; L189-F281 HydrophobicContact CD2-CG 3.98Å; L189-F281 HydrophobicContact CG-CD2 4.42Å; L189-F281 HydrophobicContact CG-CG 4.45Å; I273-F281 HydrophobicContact CG2-CD1 4.18Å; S274-F281 WeakPolarHBondContact O-CA 3.35Å; F281-R313 WeakPolarHBondContact O-CA 3.17Å; F281-V314 HydrophobicContact CB-CG1 3.89Å; F281-V314 HydrophobicContact CD2-CG1 4.45Å; F281-V314 PolarHBondContact N-O 3.17Å; F281-V314 PolarHBondContact O-N 2.5Å; F281-Q316 HydrophobicContact CD2-CB 4.43Å; F281-Q316 HydrophobicContact CD2-CG 3.75Å; F281-Q316 HydrophobicContact CE2-CB 4.11Å; F281-Q316 HydrophobicContact CE2-CG 3.6Å; F281-Q316 HydrophobicContact CG-CG 4.38Å; F281-Q316 HydrophobicContact CZ-CG 4.1Å
282	Y	97.9	Very high	88.2	Confident	3 Å²	3	24.6 Å²	24.6	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.5	168.1	-67.4	-88	0	0	0	109.4	I273 S274 V276 Y280 I311 G312 R313 L433 V436 D437	I273-Y282 CarbonylContact C-O 3.52Å; I273-Y282 VanDerWaalsContact CA-O 3.27Å; I273-Y282 WeakPolarHBondContact CA-O 3.29Å; S274-Y282 PolarHBondContact N-O 2.96Å; S274-Y282 PolarHBondContact O-N 2.99Å; V276-Y282 HydrophobicContact CB-CD2 3.93Å; V276-Y282 HydrophobicContact CB-CE2 3.78Å; V276-Y282 HydrophobicContact CG1-CE2 4.22Å; V276-Y282 HydrophobicContact CG2-CD2 3.74Å; V276-Y282 HydrophobicContact CG2-CE2 4.05Å; Y280-Y282 HydrophobicContact CG-CE2 4.46Å; Y282-I311 HydrophobicContact CD1-CD1 4.26Å; Y282-I311 HydrophobicContact CD1-CG1 4.43Å; Y282-G312 CarbonylContact C-O 3.55Å; Y282-G312 VanDerWaalsContact CA-O 3.3Å; Y282-G312 WeakPolarHBondContact CA-O 3.46Å; Y282-R313 HydrophobicContact CD1-CB 4.05Å; Y282-R313 HydrophobicContact CD1-CG 4.08Å; Y282-R313 HydrophobicContact CE1-CB 3.86Å; Y282-R313 HydrophobicContact CE1-CG 3.56Å; Y282-R313 WeakPolarHBondContact OH-CD 3.46Å; Y282-L433 HydrophobicContact CD1-CD2 3.93Å; Y282-L433 HydrophobicContact CD2-CD1 3.9Å; Y282-L433 HydrophobicContact CE1-CD1 4.38Å; Y282-L433 HydrophobicContact CE1-CD2 3.94Å; Y282-L433 HydrophobicContact CE2-CD1 3.58Å; Y282-L433 HydrophobicContact CG-CD1 4.42Å; Y282-L433 HydrophobicContact CG-CD2 4.22Å; Y282-V436 HydrophobicContact CD1-CG1 4.46Å; Y282-V436 HydrophobicContact CE1-CG1 4.19Å; Y282-D437 VanDerWaalsContact OH-CG 3.29Å; Y282-D437 PolarHBondContact OH-OD1 2.91Å; Y282-D437 PolarHBondContact OH-OD2 2.84Å
283	I	97.2	Very high	85.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.5	-176.8	-46.8	171.2	0	0	0	107.7	L189 I207 F270 S272 I273 F285 I311 G312 F338	L189-I283 HydrophobicContact CD2-CD1 3.48Å; L189-I283 VanDerWaalsContact CD2-CD1 3.48Å; L189-I283 HydrophobicContact CD2-CG1 3.73Å; I207-I283 HydrophobicContact CD1-CD1 3.56Å; I207-I283 HydrophobicContact CG1-CD1 4.35Å; I207-I283 HydrophobicContact CG2-CD1 4.25Å; F270-I283 HydrophobicContact CD1-CG2 3.87Å; F270-I283 HydrophobicContact CE1-CG2 4.16Å; S272-I283 WeakPolarHBondContact O-CA 3.34Å; I273-I283 HydrophobicContact CG1-CG1 4.47Å; I273-I283 HydrophobicContact CG1-CG2 4.24Å; I283-F285 HydrophobicContact CG2-CD1 4.04Å; I283-I311 CarbonylContact O-C 3.55Å; I283-I311 WeakPolarHBondContact O-CA 3.28Å; I283-G312 PolarHBondContact N-O 3.15Å; I283-G312 PolarHBondContact O-N 2.67Å; I283-F338 HydrophobicContact CD1-CE2 4.04Å
284	I	98	Very high	83.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.9	176	-56.9	168.8	0	0	0	108.6	L271 S272 T309 R310 I311 L343 V398 I401 F412	L271-I284 WeakPolarHBondContact CB-O 3.33Å; L271-I284 HydrophobicContact CD1-CG2 4.43Å; L271-I284 PolarHBondContact N-O 3.01Å; S272-I284 PolarHBondContact N-O 2.77Å; S272-I284 PolarHBondContact O-N 3.14Å; I284-T309 HydrophobicContact CG2-CG2 3.95Å; I284-R310 WeakPolarHBondContact CA-O 3.25Å; I284-I311 HydrophobicContact CD1-CD1 4.03Å; I284-I311 HydrophobicContact CG1-CB 4.22Å; I284-I311 HydrophobicContact CG1-CD1 3.85Å; I284-I311 HydrophobicContact CG1-CG1 3.85Å; I284-L343 HydrophobicContact CG2-CD1 4.47Å; I284-V398 HydrophobicContact CB-CG2 4.47Å; I284-V398 HydrophobicContact CD1-CG1 3.76Å; I284-V398 HydrophobicContact CG2-CG2 3.88Å; I284-I401 HydrophobicContact CD1-CD1 4.46Å; I284-F412 HydrophobicContact CD1-CD2 4.16Å; I284-F412 HydrophobicContact CD1-CE2 3.72Å; I284-F412 HydrophobicContact CD1-CZ 3.91Å
285	F	96.3	Very high	80.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161.9	-177.2	61.5	-84.3	0	0	0	110.8	F264 V268 Q269 F270 I283 E287 R310 F338 K340	F264-F285 AromaticContact CD1-CE2 3.93Å; F264-F285 HydrophobicContact CD1-CE2 3.93Å; F264-F285 HydrophobicContact CD1-CZ 4.21Å; F264-F285 HydrophobicContact CE1-CE2 4.17Å; F264-F285 HydrophobicContact CE1-CZ 4.1Å; V268-F285 HydrophobicContact CG1-CB 4.46Å; V268-F285 HydrophobicContact CG1-CD2 3.98Å; Q269-F285 CarbonylContact O-C 3.28Å; Q269-F285 WeakPolarHBondContact O-CA 3.11Å; Q269-F285 VanDerWaalsContact O-CB 3.26Å; Q269-F285 WeakPolarHBondContact O-CB 3.09Å; F270-F285 HydrophobicContact CD1-CB 3.84Å; F270-F285 HydrophobicContact CD1-CD1 4.5Å; F270-F285 HydrophobicContact CD1-CG 4.32Å; F270-F285 HydrophobicContact CE1-CB 4.35Å; F270-F285 HydrophobicContact CE1-CD1 4.45Å; F270-F285 HydrophobicContact CE1-CG 4.38Å; F270-F285 HydrophobicContact CG-CB 4.43Å; I283-F285 HydrophobicContact CG2-CD1 4.04Å; F285-E287 HydrophobicContact CD2-CB 4.44Å; F285-E287 HydrophobicContact CE2-CB 4.39Å; F285-E287 HydrophobicContact CE2-CG 4.36Å; F285-R310 HydrophobicContact CD1-CB 4.31Å; F285-R310 HydrophobicContact CD2-CB 4.19Å; F285-R310 HydrophobicContact CE1-CB 3.93Å; F285-R310 HydrophobicContact CE2-CB 3.8Å; F285-R310 HydrophobicContact CE2-CG 4.02Å; F285-R310 HydrophobicContact CG-CB 4.45Å; F285-R310 HydrophobicContact CZ-CB 3.67Å; F285-R310 HydrophobicContact CZ-CG 4.19Å; F285-R310 PolarHBondContact N-O 3.1Å; F285-R310 PolarHBondContact O-N 2.6Å; F285-F338 HydrophobicContact CE1-CZ 4.49Å; F285-K340 HydrophobicContact CZ-CD 3.86Å
286	T	94.4	Very high	77.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	149.1	170.1	63.1	0	0	0	0	110.2	V268 Q269 L271 I308 T309 R394 A395	V268-T286 CarbonylContact C-O 3.25Å; V268-T286 WeakPolarHBondContact CA-O 3.29Å; Q269-T286 PolarHBondContact N-O 2.76Å; Q269-T286 PolarHBondContact O-N 3.5Å; L271-T286 HydrophobicContact CD1-CG2 4.09Å; T286-I308 CarbonylContact C-O 3.58Å; T286-I308 WeakPolarHBondContact CA-O 3.45Å; T286-I308 WeakPolarHBondContact CB-O 3.22Å; T286-T309 HydrophobicContact CG2-CG2 4.49Å; T286-R394 HydrophobicContact CG2-CG 3.99Å; T286-A395 HydrophobicContact CG2-CB 4.43Å
287	E	90.6	Very high	75	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.5	176.4	66.9	179.1	179.9	0	0	109.8	F264 G265 V268 F285 D289 T307 I308 R310 K340	F264-E287 WeakPolarHBondContact CA-OE2 3Å; G265-E287 PolarHBondContact N-OE2 2.04Å; V268-E287 HydrophobicContact CG2-CB 4.05Å; F285-E287 HydrophobicContact CD2-CB 4.44Å; F285-E287 HydrophobicContact CE2-CB 4.39Å; F285-E287 HydrophobicContact CE2-CG 4.36Å; E287-D289 PolarHBondContact O-N 3.24Å; E287-T307 CarbonylContact O-C 3.54Å; E287-T307 WeakPolarHBondContact O-CA 3.36Å; E287-I308 HydrophobicContact CG-CG1 4.18Å; E287-I308 PolarHBondContact N-O 3.42Å; E287-I308 WeakPolarHBondContact O-CG1 3.45Å; E287-I308 PolarHBondContact O-N 3.09Å; E287-R310 HydrophobicContact CG-CG 3.88Å; E287-R310 VanDerWaalsContact OE1-CG 3.22Å; E287-R310 WeakPolarHBondContact OE1-CG 3.3Å; E287-R310 IonicContact OE1-CZ 3.94Å; E287-R310 IonicContact OE1-NE 3.73Å; E287-R310 PolarHBondContact OE1-NE 3.22Å; E287-R310 IonicContact OE1-NH2 3.68Å; E287-K340 IonicContact OE1-NZ 2.87Å; E287-K340 PolarHBondContact OE1-NZ 2.86Å; E287-K340 IonicContact OE2-NZ 2.75Å; E287-K340 PolarHBondContact OE2-NZ 2.99Å
288	Q	85.1	Confident	72.3	Confident	20 Å²	20	45.2 Å²	45.2	9%	0.093	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.3	168.3	-169.3	173	46.9	0	0	110.4	E266 I290 G305	E266-Q288 HydrophobicContact CB-CB 4.07Å; E266-Q288 PolarHBondContact O-N 2.95Å; E266-Q288 PolarHBondContact OE2-OE1 2.66Å; Q288-I290 PolarHBondContact O-N 3.09Å; Q288-G305 WeakPolarHBondContact CG-O 3.04Å; Q288-G305 VanDerWaalsContact NE2-CA 3.31Å
289	D	80.9	Confident	69.8	Low	17 Å²	17	47.4 Å²	47.4	9%	0.091	26%	0.264	C	S	.	.			trans	-64.1	126.5	178.3	-175.8	24.4	0	0	0	111.8	E287 S291 A292 S306 I308 R310	E287-D289 PolarHBondContact O-N 3.24Å; D289-S291 VanDerWaalsContact CG-OG 3.3Å; D289-S291 WeakPolarHBondContact OD1-CB 3.4Å; D289-S291 PolarHBondContact OD1-N 2.89Å; D289-S291 PolarHBondContact OD1-OG 2.96Å; D289-S291 PolarHBondContact OD2-OG 2.73Å; D289-A292 PolarHBondContact OD2-N 2.78Å; D289-S306 VanDerWaalsContact CB-O 3.27Å; D289-S306 WeakPolarHBondContact CB-O 3.48Å; D289-S306 PolarHBondContact N-O 2.91Å; D289-I308 HydrophobicContact CB-CD1 3.76Å; D289-I308 HydrophobicContact CB-CG1 3.94Å; D289-I308 HydrophobicContact CB-CG2 3.89Å; D289-R310 IonicContact OD1-NH2 3.76Å
290	I	71.6	Confident	67.1	Low	31 Å²	31	46.9 Å²	46.9	16%	0.159	27%	0.27	C	S	.	.	S	Bend	trans	-85.5	-14.8	177	66.7	171.9	0	0	0	112.6	L262 Q288 L529	L262-I290 HydrophobicContact CD2-CD1 3.79Å; Q288-I290 PolarHBondContact O-N 3.09Å; I290-L529 HydrophobicContact CD1-CD2 3.62Å; I290-L529 HydrophobicContact CG1-CD2 4.22Å
291	S	57.7	Low	64.3	Low	69 Å²	69	53.6 Å²	53.6	48%	0.483	31%	0.306	S	S	.	.	S	Bend	trans	-80.3	-30.7	-177.9	88.3	0	0	0	0	112.8	D289	D289-S291 VanDerWaalsContact CG-OG 3.3Å; D289-S291 WeakPolarHBondContact OD1-CB 3.4Å; D289-S291 PolarHBondContact OD1-N 2.89Å; D289-S291 PolarHBondContact OD1-OG 2.96Å; D289-S291 PolarHBondContact OD2-OG 2.73Å
292	A	51.6	Low	61.5	Low	32 Å²	32	57.7 Å²	57.7	26%	0.264	34%	0.335	S	S	.	.	S	Bend	trans	-57.8	125.9	166.8	0	0	0	0	0	108.7	D289 Y294	D289-A292 PolarHBondContact OD2-N 2.78Å; A292-Y294 PolarHBondContact O-N 2.76Å
293	P	44	Very low	58.8	Low	72 Å²	72	62.3 Å²	62.3	47%	0.468	36%	0.36	S	S	.	.			trans	-54.7	112.9	-179.7	21.3	-31.4	0	0	0	108.2	T295	P293-T295 PolarHBondContact O-N 3.13Å
294	Y	39.1	Very low	56.4	Low	117 Å²	117	67.6 Å²	67.6	46%	0.459	39%	0.387	S	S	.	.			trans	-63.2	86	177.5	-164.1	-93.2	0	0	0	107.6	E266 A292 A296	E266-Y294 WeakPolarHBondContact OE1-CE2 3.38Å; E266-Y294 PolarHBondContact OE1-OH 2.79Å; A292-Y294 PolarHBondContact O-N 2.76Å; Y294-A296 HydrophobicContact CD1-CB 3.97Å; Y294-A296 HydrophobicContact CE1-CB 3.96Å; Y294-A296 PolarHBondContact O-N 2.02Å
295	T	39.5	Very low	54.4	Low	63 Å²	63	68.3 Å²	68.3	39%	0.387	39%	0.394	S	S	.	.			trans	-74.5	91.2	168.7	57	0	0	0	0	104.8	P293 Y297 N303	P293-T295 PolarHBondContact O-N 3.13Å; T295-Y297 PolarHBondContact O-N 3.41Å; T295-N303 PolarHBondContact OG1-ND2 3.32Å
296	A	34	Very low	53.3	Low	52 Å²	52	69.4 Å²	69.4	43%	0.43	40%	0.402	S	S	.	.			trans	-65.2	67.2	165.2	0	0	0	0	0	108.7	Y294 E298	Y294-A296 HydrophobicContact CD1-CB 3.97Å; Y294-A296 HydrophobicContact CE1-CB 3.96Å; Y294-A296 PolarHBondContact O-N 2.02Å; A296-E298 PolarHBondContact O-N 2.91Å
297	Y	35.6	Very low	52.9	Low	186 Å²	186	70.4 Å²	70.4	73%	0.729	41%	0.408	S	S	*	.			trans	-84	100	164.5	-119.2	-84.9	0	0	0	105.7	T295 G299	T295-Y297 PolarHBondContact O-N 3.41Å; Y297-G299 PolarHBondContact O-N 2.82Å
298	E	33.6	Very low	52.8	Low	164 Å²	164	70.5 Å²	70.5	77%	0.766	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	106.9	167.9	-72.2	170.6	136.2	0	0	108.6	A296 K485	A296-E298 PolarHBondContact O-N 2.91Å; E298-K485 IonicContact OE2-NZ 3Å; E298-K485 PolarHBondContact OE2-NZ 3.24Å
299	G	35.9	Very low	53.3	Low	80 Å²	80	69.5 Å²	69.5	83%	0.825	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	-0.7	165	0	0	0	0	0	118.4	Y297	Y297-G299 PolarHBondContact O-N 2.82Å
300	S	33.6	Very low	54	Low	65 Å²	65	69.2 Å²	69.2	46%	0.455	40%	0.402	S	S	.	.			trans	-98.5	106.4	172.9	-155.4	0	0	0	0	110.7	S302	S300-S302 PolarHBondContact O-N 2.62Å; S300-S302 PolarHBondContact OG-OG 3.21Å
301	L	37.9	Very low	55.2	Low	152 Å²	152	67.7 Å²	67.7	80%	0.796	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-57.9	-2.7	171.9	-94	102.6	0	0	0	114	N303	L301-N303 PolarHBondContact O-N 2.92Å
302	S	36.6	Very low	57.1	Low	88 Å²	88	64.4 Å²	64.4	62%	0.615	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-76.8	-14.5	-173.7	57.1	0	0	0	0	115.1	S300	S300-S302 PolarHBondContact O-N 2.62Å; S300-S302 PolarHBondContact OG-OG 3.21Å
303	N	42.3	Very low	59.2	Low	100 Å²	100	63 Å²	63	54%	0.535	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-118.8	52.5	175.5	-68.6	-4.1	0	0	0	111	T295 L301 G305	T295-N303 PolarHBondContact OG1-ND2 3.32Å; L301-N303 PolarHBondContact O-N 2.92Å; N303-G305 PolarHBondContact O-N 2.81Å
304	I	45.7	Very low	61.7	Low	111 Å²	111	59.6 Å²	59.6	57%	0.569	34%	0.337	S	S	*	.			trans	-54.1	100.3	157.1	-61.7	162.2	0	0	0	104.9	S306	I304-S306 PolarHBondContact O-N 3.32Å
305	G	56.2	Low	64.3	Low	15 Å²	15	54.1 Å²	54.1	16%	0.155	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-47.3	134.9	175.8	0	0	0	0	0	108.7	Q288 N303 T307	Q288-G305 WeakPolarHBondContact CG-O 3.04Å; Q288-G305 VanDerWaalsContact NE2-CA 3.31Å; N303-G305 PolarHBondContact O-N 2.81Å; G305-T307 PolarHBondContact O-N 3.5Å; G305-T307 VanDerWaalsContact O-N 3.12Å
306	S	72.9	Confident	66.6	Low	23 Å²	23	51.2 Å²	51.2	16%	0.161	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-58	119.9	-173.2	47.3	0	0	0	0	109.9	D289 I304 I308	D289-S306 VanDerWaalsContact CB-O 3.27Å; D289-S306 WeakPolarHBondContact CB-O 3.48Å; D289-S306 PolarHBondContact N-O 2.91Å; I304-S306 PolarHBondContact O-N 3.32Å; S306-I308 PolarHBondContact O-N 3.2Å
307	T	86	Confident	68.9	Low	22 Å²	22	52.7 Å²	52.7	14%	0.135	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125	169.7	-57.8	0	0	0	0	108.6	E287 G305 N393 R394	E287-T307 CarbonylContact O-C 3.54Å; E287-T307 WeakPolarHBondContact O-CA 3.36Å; G305-T307 PolarHBondContact O-N 3.5Å; G305-T307 VanDerWaalsContact O-N 3.12Å; T307-N393 VanDerWaalsContact O-CB 3.29Å; T307-N393 WeakPolarHBondContact O-CB 3.49Å; T307-R394 HydrophobicContact CG2-CB 4.31Å; T307-R394 HydrophobicContact CG2-CG 3.87Å
308	I	89.9	Confident	71.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	160	-179.8	55.1	167	0	0	0	110.5	T286 E287 D289 S306 R310 N393	T286-I308 CarbonylContact C-O 3.58Å; T286-I308 WeakPolarHBondContact CA-O 3.45Å; T286-I308 WeakPolarHBondContact CB-O 3.22Å; E287-I308 HydrophobicContact CG-CG1 4.18Å; E287-I308 PolarHBondContact N-O 3.42Å; E287-I308 WeakPolarHBondContact O-CG1 3.45Å; E287-I308 PolarHBondContact O-N 3.09Å; D289-I308 HydrophobicContact CB-CD1 3.76Å; D289-I308 HydrophobicContact CB-CG1 3.94Å; D289-I308 HydrophobicContact CB-CG2 3.89Å; S306-I308 PolarHBondContact O-N 3.2Å; I308-R310 VanDerWaalsContact CD1-NE 3.3Å; I308-N393 CarbonylContact C-O 3.58Å; I308-N393 VanDerWaalsContact C-O 3.27Å; I308-N393 VanDerWaalsContact CA-O 3.26Å; I308-N393 WeakPolarHBondContact CA-O 3.44Å; I308-N393 HydrophobicContact CG2-CB 4.11Å
309	T	95.3	Very high	73.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.4	177	-50.7	0	0	0	0	109.6	I284 T286 Q342 L343 N393 R394 A395 M416	I284-T309 HydrophobicContact CG2-CG2 3.95Å; T286-T309 HydrophobicContact CG2-CG2 4.49Å; T309-Q342 WeakPolarHBondContact O-CA 3.39Å; T309-L343 HydrophobicContact CG2-CB 4.38Å; T309-L343 HydrophobicContact CG2-CD1 3.95Å; T309-L343 HydrophobicContact CG2-CG 4.42Å; T309-L343 PolarHBondContact O-N 3.47Å; T309-N393 WeakPolarHBondContact CB-O 3.5Å; T309-N393 PolarHBondContact N-O 3.16Å; T309-N393 PolarHBondContact OG1-O 2.97Å; T309-R394 WeakPolarHBondContact OG1-CA 3.49Å; T309-A395 HydrophobicContact CG2-CB 3.64Å; T309-A395 PolarHBondContact OG1-N 2.78Å; T309-M416 HydrophobicContact CG2-CE 4.33Å; T309-M416 WeakPolarHBondContact OG1-CE 3.49Å
310	R	95.4	Very high	75.6	Confident	10 Å²	10	32.7 Å²	32.7	4%	0.038	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.7	175.9	-63.5	-63.5	-167	-173.6	-6.5	110.2	I284 F285 E287 D289 I308 K340 T341	I284-R310 WeakPolarHBondContact CA-O 3.25Å; F285-R310 HydrophobicContact CD1-CB 4.31Å; F285-R310 HydrophobicContact CD2-CB 4.19Å; F285-R310 HydrophobicContact CE1-CB 3.93Å; F285-R310 HydrophobicContact CE2-CB 3.8Å; F285-R310 HydrophobicContact CE2-CG 4.02Å; F285-R310 HydrophobicContact CG-CB 4.45Å; F285-R310 HydrophobicContact CZ-CB 3.67Å; F285-R310 HydrophobicContact CZ-CG 4.19Å; F285-R310 PolarHBondContact N-O 3.1Å; F285-R310 PolarHBondContact O-N 2.6Å; E287-R310 HydrophobicContact CG-CG 3.88Å; E287-R310 VanDerWaalsContact OE1-CG 3.22Å; E287-R310 WeakPolarHBondContact OE1-CG 3.3Å; E287-R310 IonicContact OE1-CZ 3.94Å; E287-R310 IonicContact OE1-NE 3.73Å; E287-R310 PolarHBondContact OE1-NE 3.22Å; E287-R310 IonicContact OE1-NH2 3.68Å; D289-R310 IonicContact OD1-NH2 3.76Å; I308-R310 VanDerWaalsContact CD1-NE 3.3Å; R310-K340 HydrophobicContact CG-CD 4.42Å; R310-T341 VanDerWaalsContact CA-O 3.29Å; R310-T341 WeakPolarHBondContact CA-O 3.25Å; R310-T341 WeakPolarHBondContact CD-O 3.34Å
311	I	97.3	Very high	77.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.9	159.9	-172.6	161	0	0	0	108.5	Y282 I283 I284 K340 T341 L343 F412 L433 V436	Y282-I311 HydrophobicContact CD1-CD1 4.26Å; Y282-I311 HydrophobicContact CD1-CG1 4.43Å; I283-I311 CarbonylContact O-C 3.55Å; I283-I311 WeakPolarHBondContact O-CA 3.28Å; I284-I311 HydrophobicContact CD1-CD1 4.03Å; I284-I311 HydrophobicContact CG1-CB 4.22Å; I284-I311 HydrophobicContact CG1-CD1 3.85Å; I284-I311 HydrophobicContact CG1-CG1 3.85Å; I311-K340 VanDerWaalsContact O-CA 3.26Å; I311-K340 WeakPolarHBondContact O-CA 3.29Å; I311-T341 HydrophobicContact CG2-CG2 3.69Å; I311-T341 PolarHBondContact N-O 2.95Å; I311-T341 PolarHBondContact O-N 3.35Å; I311-L343 HydrophobicContact CB-CD1 4.46Å; I311-L343 HydrophobicContact CB-CD2 4.14Å; I311-L343 HydrophobicContact CB-CG 4.28Å; I311-L343 HydrophobicContact CG2-CD2 3.56Å; I311-L343 HydrophobicContact CG2-CG 4.11Å; I311-F412 HydrophobicContact CD1-CE1 4.18Å; I311-F412 HydrophobicContact CD1-CZ 3.99Å; I311-L433 HydrophobicContact CD1-CD2 4.31Å; I311-V436 HydrophobicContact CD1-CG1 3.93Å; I311-V436 HydrophobicContact CD1-CG2 4.01Å; I311-V436 HydrophobicContact CG1-CG1 4.2Å; I311-V436 HydrophobicContact CG2-CG1 3.85Å; I311-V436 HydrophobicContact CG2-CG2 4.29Å
312	G	96.6	Very high	78.8	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.9	174.2	0	0	0	0	0	111.3	Y282 I283 R339	Y282-G312 CarbonylContact C-O 3.55Å; Y282-G312 VanDerWaalsContact CA-O 3.3Å; Y282-G312 WeakPolarHBondContact CA-O 3.46Å; I283-G312 PolarHBondContact N-O 3.15Å; I283-G312 PolarHBondContact O-N 2.67Å; G312-R339 CarbonylContact C-O 3.51Å; G312-R339 WeakPolarHBondContact CA-O 3.14Å
313	R	96.7	Very high	79.8	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.9	173.4	-172.1	-174.2	72.6	-163.2	-1.1	109.5	Y280 F281 Y282 F338 R339 D437 L440 N441 S508	Y280-R313 HydrophobicContact CD1-CG 3.53Å; Y280-R313 HydrophobicContact CD2-CG 4.42Å; Y280-R313 HydrophobicContact CE1-CG 4.08Å; Y280-R313 HydrophobicContact CG-CG 3.71Å; F281-R313 WeakPolarHBondContact O-CA 3.17Å; Y282-R313 HydrophobicContact CD1-CB 4.05Å; Y282-R313 HydrophobicContact CD1-CG 4.08Å; Y282-R313 HydrophobicContact CE1-CB 3.86Å; Y282-R313 HydrophobicContact CE1-CG 3.56Å; Y282-R313 WeakPolarHBondContact OH-CD 3.46Å; R313-F338 WeakPolarHBondContact O-CA 3.33Å; R313-R339 PolarHBondContact N-O 3.07Å; R313-R339 PolarHBondContact O-N 3.41Å; R313-D437 VanDerWaalsContact CD-OD1 3.27Å; R313-D437 WeakPolarHBondContact CD-OD1 3.15Å; R313-D437 IonicContact CZ-OD1 2.65Å; R313-D437 IonicContact NE-OD1 3.87Å; R313-D437 VanDerWaalsContact NH1-CG 3.3Å; R313-D437 IonicContact NH1-OD1 3.81Å; R313-D437 PolarHBondContact NH1-OD1 3.29Å; R313-L440 HydrophobicContact CB-CD1 3.46Å; R313-L440 VanDerWaalsContact CB-CD1 3.46Å; R313-N441 PolarHBondContact NH1-OD1 3.47Å; R313-N441 PolarHBondContact NH2-OD1 3.38Å; R313-S508 PolarHBondContact NH2-O 3.36Å
314	V	95	Very high	80.1	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.4	172.9	61.6	0	0	0	0	110.5	L189 Y280 F281 D318 F335 F338	L189-V314 HydrophobicContact CD2-CG1 4.3Å; Y280-V314 WeakPolarHBondContact CA-O 3.44Å; F281-V314 HydrophobicContact CB-CG1 3.89Å; F281-V314 HydrophobicContact CD2-CG1 4.45Å; F281-V314 PolarHBondContact N-O 3.17Å; F281-V314 PolarHBondContact O-N 2.5Å; V314-D318 HydrophobicContact CG2-CB 4.46Å; V314-F335 HydrophobicContact CG2-CB 4.08Å; V314-F335 HydrophobicContact CG2-CD1 3.41Å; V314-F335 VanDerWaalsContact CG2-CD1 3.41Å; V314-F335 HydrophobicContact CG2-CE1 3.86Å; V314-F335 HydrophobicContact CG2-CG 3.84Å; V314-F338 HydrophobicContact CB-CB 4.3Å; V314-F338 HydrophobicContact CB-CD2 4.11Å; V314-F338 HydrophobicContact CG2-CB 4.23Å
315	C	93.8	Very high	80.2	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.7	172.5	-65	0	0	0	0	109.8	K279 H317 D318 T337 C511	K279-C315 WeakPolarHBondContact O-CA 3.23Å; C315-H317 PolarHBondContact O-N 3.12Å; C315-D318 PolarHBondContact O-N 3.22Å; C315-T337 HydrophobicContact CB-CG2 4.19Å; C315-T337 WeakPolarHBondContact CB-OG1 3.4Å; C315-T337 PolarHBondContact N-OG1 3.05Å; C315-T337 PolarHBondContact SG-OG1 3.15Å; C315-C511 HydrophobicContact CB-CB 3.71Å; C315-C511 WeakPolarHBondContact CB-SG 3.32Å; C315-C511 WeakPolarHBondContact SG-CA 3.22Å; C315-C511 WeakPolarHBondContact SG-CB 3.46Å; C315-C511 CovalentContact SG-SG 2.04Å; C315-C511 PolarHBondContact SG-SG 2.77Å
316	Q	88.4	Confident	79.6	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.009	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-41.9	175.1	-66.8	-177.8	-4.6	0	0	110.9	D182 T185 Y187 S278 K279 Y280 F281 D318	D182-Q316 PolarHBondContact OD2-NE2 3.28Å; D182-Q316 PolarHBondContact OD2-OE1 2.63Å; T185-Q316 VanDerWaalsContact CG2-OE1 3.23Å; T185-Q316 PolarHBondContact OG1-OE1 3.45Å; Y187-Q316 WeakPolarHBondContact CD1-O 3.36Å; Y187-Q316 HydrophobicContact CD2-CB 4.42Å; Y187-Q316 WeakPolarHBondContact CE1-O 3.49Å; Y187-Q316 HydrophobicContact CG-CB 4.15Å; S278-Q316 VanDerWaalsContact C-OE1 3.3Å; S278-Q316 PolarHBondContact O-OE1 3.37Å; K279-Q316 PolarHBondContact O-N 3.42Å; Y280-Q316 PolarHBondContact O-NE2 2.98Å; F281-Q316 HydrophobicContact CD2-CB 4.43Å; F281-Q316 HydrophobicContact CD2-CG 3.75Å; F281-Q316 HydrophobicContact CE2-CB 4.11Å; F281-Q316 HydrophobicContact CE2-CG 3.6Å; F281-Q316 HydrophobicContact CG-CG 4.38Å; F281-Q316 HydrophobicContact CZ-CG 4.1Å; Q316-D318 PolarHBondContact O-N 3.46Å
317	H	83.3	Confident	78.4	Confident	83 Å²	83	31.1 Å²	31.1	38%	0.384	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	48.6	176.9	-58.5	72.7	0	0	0	111	Y187 C315	Y187-H317 AromaticContact CD2-CE1 3.7Å; Y187-H317 AromaticContact CD2-NE2 3.94Å; Y187-H317 AromaticContact CE2-CD2 3.41Å; Y187-H317 VanDerWaalsContact CE2-CD2 3.41Å; Y187-H317 WeakPolarHBondContact CE2-CD2 3.41Å; Y187-H317 AromaticContact CE2-CE1 3.22Å; Y187-H317 WeakPolarHBondContact CE2-CE1 3.43Å; Y187-H317 AromaticContact CE2-CG 3.83Å; Y187-H317 AromaticContact CE2-ND1 3.73Å; Y187-H317 AromaticContact CE2-NE2 3Å; Y187-H317 WeakPolarHBondContact CE2-NE2 3.24Å; Y187-H317 AromaticContact CZ-CD2 3.29Å; Y187-H317 AromaticContact CZ-CE1 3.91Å; Y187-H317 AromaticContact CZ-CG 3.71Å; Y187-H317 AromaticContact CZ-NE2 3.45Å; Y187-H317 PolarHBondContact OH-CD2 2.8Å; Y187-H317 PolarHBondContact OH-NE2 2.84Å; C315-H317 PolarHBondContact O-N 3.12Å
318	D	87.5	Confident	76.7	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.179	C	C	.	.			trans	-56	131	175.7	-163.7	-67.2	0	0	0	109.5	W254 V314 C315 Q316 G320 F335 T336 T337	W254-D318 PolarHBondContact NE1-O 3.41Å; V314-D318 HydrophobicContact CG2-CB 4.46Å; C315-D318 PolarHBondContact O-N 3.22Å; Q316-D318 PolarHBondContact O-N 3.46Å; D318-G320 PolarHBondContact O-N 3.21Å; D318-G320 WeakPolarHBondContact OD1-CA 3.22Å; D318-G320 PolarHBondContact OD1-N 3.49Å; D318-F335 HydrophobicContact CB-CD1 3.86Å; D318-T336 PolarHBondContact OD1-N 2.75Å; D318-T336 PolarHBondContact OD1-OG1 3.06Å; D318-T336 PolarHBondContact OD2-N 3.28Å; D318-T336 VanDerWaalsContact OD2-N 3.15Å; D318-T337 WeakPolarHBondContact OD2-CA 3.43Å; D318-T337 WeakPolarHBondContact OD2-CB 3.42Å; D318-T337 WeakPolarHBondContact OD2-CG2 3.33Å; D318-T337 PolarHBondContact OD2-N 3.48Å; D318-T337 PolarHBondContact OD2-OG1 3.44Å
319	P	78.6	Confident	74.4	Confident	10 Å²	10	35.2 Å²	35.2	7%	0.065	21%	0.207	C	C	.	.			trans	-74.8	-15.9	177.8	31.3	-36.6	0	0	0	112.7	W254 S513	W254-P319 WeakPolarHBondContact CH2-O 3.44Å; W254-P319 VanDerWaalsContact CZ2-C 3.49Å; W254-P319 WeakPolarHBondContact CZ2-O 3.34Å; P319-S513 WeakPolarHBondContact CB-O 3.3Å
320	G	78.4	Confident	71.9	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.			trans	60.9	178.2	176.3	0	0	0	0	0	115.6	W254 D318 V334 T336	W254-G320 VanDerWaalsContact CE3-CA 3.46Å; W254-G320 VanDerWaalsContact CZ3-CA 3.42Å; D318-G320 PolarHBondContact O-N 3.21Å; D318-G320 WeakPolarHBondContact OD1-CA 3.22Å; D318-G320 PolarHBondContact OD1-N 3.49Å; G320-V334 CarbonylContact C-O 3.51Å; G320-V334 WeakPolarHBondContact CA-O 3.37Å; G320-T336 WeakPolarHBondContact O-CG2 3.09Å
321	S	75.5	Confident	69.4	Low	1 Å²	1	41.4 Å²	41.4	1%	0.007	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-101.6	129.6	176.3	74.1	0	0	0	0	110.9	L323 G333 V334 S521	S321-L323 PolarHBondContact O-N 3.48Å; S321-L323 VanDerWaalsContact O-N 3.1Å; S321-L323 WeakPolarHBondContact OG-CD1 3.32Å; S321-G333 WeakPolarHBondContact O-CA 3.48Å; S321-V334 PolarHBondContact N-O 2.95Å; S321-V334 PolarHBondContact OG-N 3.11Å; S321-S521 VanDerWaalsContact CA-OG 3.25Å; S321-S521 WeakPolarHBondContact CA-OG 3.44Å; S321-S521 WeakPolarHBondContact CB-OG 3.47Å
322	K	64	Low	67.5	Low	159 Å²	159	42.3 Å²	42.3	69%	0.691	27%	0.265	S	S	*	.			trans	-82.1	38.5	169	-60.1	-174.7	-179.3	-176	0	112.1	S324	K322-S324 PolarHBondContact O-N 3.19Å
323	L	57.9	Low	66.3	Low	43 Å²	43	42.6 Å²	42.6	23%	0.225	27%	0.268	C	S	.	.			trans	-57.8	131.4	-176.8	-77.6	169.7	0	0	0	109.7	S321 L328 Q522	S321-L323 PolarHBondContact O-N 3.48Å; S321-L323 VanDerWaalsContact O-N 3.1Å; S321-L323 WeakPolarHBondContact OG-CD1 3.32Å; L323-L328 HydrophobicContact CB-CD1 4.1Å; L323-L328 HydrophobicContact CD1-CD1 3.54Å; L323-L328 HydrophobicContact CD1-CG 4.47Å; L323-L328 HydrophobicContact CG-CD1 4.47Å; L323-Q522 HydrophobicContact CD2-CB 4.05Å; L323-Q522 HydrophobicContact CD2-CG 4.02Å
324	S	48.1	Very low	65.7	Low	77 Å²	77	42.6 Å²	42.6	54%	0.538	27%	0.268	S	S	.	.			trans	-57.2	143.3	174.2	-176.6	0	0	0	0	109.9	K322 S326 V327	K322-S324 PolarHBondContact O-N 3.19Å; S324-S326 PolarHBondContact O-N 3.11Å; S324-S326 PolarHBondContact OG-OG 3.16Å; S324-V327 PolarHBondContact O-N 3.13Å
325	A	47.2	Very low	65.4	Low	59 Å²	59	42.7 Å²	42.7	49%	0.488	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-17.9	177.9	0	0	0	0	0	113.4	V327 L328 P329	A325-V327 VanDerWaalsContact C-N 3.3Å; A325-V327 PolarHBondContact O-N 3.44Å; A325-L328 WeakPolarHBondContact CA-O 3.46Å; A325-L328 CarbonylContact O-C 3.59Å; A325-L328 VanDerWaalsContact O-C 3.28Å; A325-L328 VanDerWaalsContact O-O 3.12Å; A325-P329 WeakPolarHBondContact O-CA 3.17Å
326	S	43.5	Very low	65.2	Low	104 Å²	104	42.6 Å²	42.6	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.4	173.6	60.2	0	0	0	0	114.6	S324	S324-S326 PolarHBondContact O-N 3.11Å; S324-S326 PolarHBondContact OG-OG 3.16Å
327	V	48.7	Very low	65.5	Low	78 Å²	78	42.6 Å²	42.6	47%	0.473	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-30.9	179.2	-175.5	0	0	0	0	111.3	S324 A325	S324-V327 PolarHBondContact O-N 3.13Å; A325-V327 VanDerWaalsContact C-N 3.3Å; A325-V327 PolarHBondContact O-N 3.44Å
328	L	49	Very low	66	Low	15 Å²	15	38.7 Å²	38.7	8%	0.079	25%	0.25	C	S	.	.	S	Bend	trans	-133.6	104.4	179.5	-71.9	162.3	0	0	0	109.1	L323 A325 N330 V334	L323-L328 HydrophobicContact CB-CD1 4.1Å; L323-L328 HydrophobicContact CD1-CD1 3.54Å; L323-L328 HydrophobicContact CD1-CG 4.47Å; L323-L328 HydrophobicContact CG-CD1 4.47Å; A325-L328 WeakPolarHBondContact CA-O 3.46Å; A325-L328 CarbonylContact O-C 3.59Å; A325-L328 VanDerWaalsContact O-C 3.28Å; A325-L328 VanDerWaalsContact O-O 3.12Å; L328-N330 PolarHBondContact O-N 2.88Å; L328-V334 HydrophobicContact CD1-CB 4.34Å; L328-V334 HydrophobicContact CD1-CG2 3.34Å; L328-V334 HydrophobicContact CD2-CG2 4.44Å
329	P	42.6	Very low	66.4	Low	93 Å²	93	38.6 Å²	38.6	60%	0.604	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.6	-161.4	19.4	-31	0	0	0	116.8	A325	A325-P329 WeakPolarHBondContact O-CA 3.17Å
330	N	43	Very low	67.1	Low	79 Å²	79	38.1 Å²	38.1	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	33	-170.1	-51.4	-2.2	0	0	0	114.2	L328 G332	L328-N330 PolarHBondContact O-N 2.88Å; N330-G332 PolarHBondContact O-N 3.43Å
331	G	42.3	Very low	67.8	Low	61 Å²	61	38.1 Å²	38.1	63%	0.629	25%	0.247	S	C	*	.	S	Bend	trans	60.1	12.7	158.9	0	0	0	0	0	118.9
332	G	56.4	Low	68.6	Low	20 Å²	20	39.3 Å²	39.3	21%	0.206	25%	0.252	C	S	.	.			trans	-118.5	145	177.6	0	0	0	0	0	111.7	N330	N330-G332 PolarHBondContact O-N 3.43Å
333	G	72.2	Confident	70	Confident	6 Å²	6	31.8 Å²	31.8	6%	0.062	22%	0.219	C	C	.	.			trans	-74.7	157.2	-176.6	0	0	0	0	0	113.8	W254 R255 S321	W254-G333 WeakPolarHBondContact CA-O 2.89Å; W254-G333 VanDerWaalsContact CE3-C 3.42Å; W254-G333 VanDerWaalsContact CE3-CA 3.42Å; R255-G333 WeakPolarHBondContact CG-O 3.47Å; R255-G333 PolarHBondContact N-O 3.31Å; S321-G333 WeakPolarHBondContact O-CA 3.48Å
334	V	84	Confident	71.6	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-109	146.3	179.7	175.6	0	0	0	0	110.3	R255 N257 W263 G320 S321 L328 T336 T525	R255-V334 HydrophobicContact CG-CG2 4.33Å; R255-V334 WeakPolarHBondContact O-CA 3.46Å; N257-V334 HydrophobicContact CB-CG1 4Å; W263-V334 HydrophobicContact CH2-CG1 3.82Å; W263-V334 HydrophobicContact CZ2-CG1 3.51Å; G320-V334 CarbonylContact C-O 3.51Å; G320-V334 WeakPolarHBondContact CA-O 3.37Å; S321-V334 PolarHBondContact N-O 2.95Å; S321-V334 PolarHBondContact OG-N 3.11Å; L328-V334 HydrophobicContact CD1-CB 4.34Å; L328-V334 HydrophobicContact CD1-CG2 3.34Å; L328-V334 HydrophobicContact CD2-CG2 4.44Å; V334-T336 PolarHBondContact O-N 2.89Å; V334-T525 HydrophobicContact CB-CG2 3.85Å; V334-T525 HydrophobicContact CG1-CG2 3.67Å
335	F	89.6	Confident	73.7	Confident	3 Å²	3	26.2 Å²	26.2	1%	0.013	18%	0.184	C	C	.	.			trans	-60.3	134.4	176.2	-56	-80.6	0	0	0	111.6	L189 I207 A209 W254 R255 W263 V314 D318 F338 T525	L189-F335 HydrophobicContact CD1-CE1 4.48Å; L189-F335 HydrophobicContact CD1-CZ 3.83Å; I207-F335 HydrophobicContact CB-CE2 4.41Å; I207-F335 HydrophobicContact CG2-CE2 3.96Å; I207-F335 HydrophobicContact CG2-CZ 4.31Å; A209-F335 HydrophobicContact CB-CE1 3.55Å; A209-F335 HydrophobicContact CB-CZ 3.5Å; A209-F335 VanDerWaalsContact CB-CZ 3.5Å; W254-F335 HydrophobicContact CB-CD1 3.39Å; W254-F335 HydrophobicContact CB-CD2 4.38Å; W254-F335 HydrophobicContact CB-CE1 3.39Å; W254-F335 HydrophobicContact CB-CE2 4.35Å; W254-F335 HydrophobicContact CB-CG 3.93Å; W254-F335 HydrophobicContact CB-CZ 3.88Å; W254-F335 HydrophobicContact CG-CD1 4.23Å; W254-F335 HydrophobicContact CG-CE1 4.36Å; W254-F335 WeakPolarHBondContact O-CE2 3.41Å; W254-F335 WeakPolarHBondContact O-CZ 3.26Å; R255-F335 VanDerWaalsContact C-CD2 3.5Å; R255-F335 VanDerWaalsContact O-CD2 3.27Å; R255-F335 WeakPolarHBondContact O-CD2 3.4Å; R255-F335 PolarHBondContact O-N 3.48Å; W263-F335 HydrophobicContact CH2-CB 3.97Å; W263-F335 HydrophobicContact CH2-CD2 4.06Å; W263-F335 HydrophobicContact CZ3-CD2 4.23Å; V314-F335 HydrophobicContact CG2-CB 4.08Å; V314-F335 HydrophobicContact CG2-CD1 3.41Å; V314-F335 VanDerWaalsContact CG2-CD1 3.41Å; V314-F335 HydrophobicContact CG2-CE1 3.86Å; V314-F335 HydrophobicContact CG2-CG 3.84Å; D318-F335 HydrophobicContact CB-CD1 3.86Å; F335-F338 HydrophobicContact CB-CB 3.9Å; F335-T525 WeakPolarHBondContact O-CG2 3.34Å
336	T	89.9	Confident	75.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-99.3	-21.4	177.3	54.7	0	0	0	0	112.8	D318 G320 V334 R339 S521 T525	D318-T336 PolarHBondContact OD1-N 2.75Å; D318-T336 PolarHBondContact OD1-OG1 3.06Å; D318-T336 PolarHBondContact OD2-N 3.28Å; D318-T336 VanDerWaalsContact OD2-N 3.15Å; G320-T336 WeakPolarHBondContact O-CG2 3.09Å; V334-T336 PolarHBondContact O-N 2.89Å; T336-R339 PolarHBondContact O-NH1 3.31Å; T336-R339 PolarHBondContact O-NH2 3.44Å; T336-S521 WeakPolarHBondContact CG2-OG 3.41Å; T336-T525 HydrophobicContact CG2-CG2 4.01Å
337	T	93.3	Very high	78	Confident	1 Å²	1	21 Å²	21	1%	0.006	14%	0.14	C	C	.	.	S	Bend	trans	-98.5	-8.5	-177.4	71.6	0	0	0	0	113.7	C315 D318 R339	C315-T337 HydrophobicContact CB-CG2 4.19Å; C315-T337 WeakPolarHBondContact CB-OG1 3.4Å; C315-T337 PolarHBondContact N-OG1 3.05Å; C315-T337 PolarHBondContact SG-OG1 3.15Å; D318-T337 WeakPolarHBondContact OD2-CA 3.43Å; D318-T337 WeakPolarHBondContact OD2-CB 3.42Å; D318-T337 WeakPolarHBondContact OD2-CG2 3.33Å; D318-T337 PolarHBondContact OD2-N 3.48Å; D318-T337 PolarHBondContact OD2-OG1 3.44Å; T337-R339 PolarHBondContact O-N 3.48Å
338	F	94.5	Very high	79.5	Confident	1 Å²	1	19.1 Å²	19.1	0%	0.004	13%	0.125	C	C	.	.			trans	-62.8	119.3	-179.2	178.2	-103.6	0	0	0	111.5	I207 W263 I283 F285 R313 V314 F335 K340 P528	I207-F338 HydrophobicContact CD1-CE2 4.36Å; W263-F338 HydrophobicContact CD2-CD1 4.19Å; W263-F338 HydrophobicContact CD2-CE1 4.42Å; W263-F338 AromaticContact CE3-CD1 3.62Å; W263-F338 HydrophobicContact CE3-CD1 3.62Å; W263-F338 AromaticContact CE3-CE1 3.79Å; W263-F338 HydrophobicContact CE3-CE1 3.79Å; W263-F338 HydrophobicContact CE3-CG 4.45Å; W263-F338 HydrophobicContact CH2-CB 3.97Å; W263-F338 AromaticContact CH2-CD1 3.93Å; W263-F338 HydrophobicContact CH2-CD1 3.93Å; W263-F338 HydrophobicContact CH2-CG 4.19Å; W263-F338 HydrophobicContact CZ2-CD1 4.41Å; W263-F338 HydrophobicContact CZ3-CB 4.14Å; W263-F338 AromaticContact CZ3-CD1 3.44Å; W263-F338 HydrophobicContact CZ3-CD1 3.44Å; W263-F338 VanDerWaalsContact CZ3-CD1 3.44Å; W263-F338 HydrophobicContact CZ3-CE1 4.01Å; W263-F338 AromaticContact CZ3-CG 3.85Å; W263-F338 HydrophobicContact CZ3-CG 3.85Å; I283-F338 HydrophobicContact CD1-CE2 4.04Å; F285-F338 HydrophobicContact CE1-CZ 4.49Å; R313-F338 WeakPolarHBondContact O-CA 3.33Å; V314-F338 HydrophobicContact CB-CB 4.3Å; V314-F338 HydrophobicContact CB-CD2 4.11Å; V314-F338 HydrophobicContact CG2-CB 4.23Å; F335-F338 HydrophobicContact CB-CB 3.9Å; F338-K340 HydrophobicContact CE1-CB 4.43Å; F338-K340 HydrophobicContact CZ-CB 4.27Å; F338-P528 HydrophobicContact CD1-CB 3.65Å; F338-P528 HydrophobicContact CD1-CG 4.43Å; F338-P528 HydrophobicContact CE1-CB 4.08Å; F338-P528 VanDerWaalsContact O-CB 3.29Å; F338-P528 WeakPolarHBondContact O-CB 3.45Å
339	R	95	Very high	80.6	Confident	0 Å²	0	21 Å²	21	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.4	174.4	-62.3	-64.7	170.2	-97.7	-15.2	110.5	G312 R313 T336 T337 L440 A524 P528 V530	G312-R339 CarbonylContact C-O 3.51Å; G312-R339 WeakPolarHBondContact CA-O 3.14Å; R313-R339 PolarHBondContact N-O 3.07Å; R313-R339 PolarHBondContact O-N 3.41Å; T336-R339 PolarHBondContact O-NH1 3.31Å; T336-R339 PolarHBondContact O-NH2 3.44Å; T337-R339 PolarHBondContact O-N 3.48Å; R339-L440 HydrophobicContact CB-CD2 3.95Å; R339-A524 PolarHBondContact NH1-O 3.08Å; R339-A524 VanDerWaalsContact NH1-O 3.1Å; R339-P528 CarbonylContact C-O 3.59Å; R339-P528 VanDerWaalsContact CA-O 3.25Å; R339-P528 WeakPolarHBondContact CA-O 3.5Å; R339-P528 WeakPolarHBondContact CD-O 3.39Å; R339-V530 HydrophobicContact CB-CG2 4.24Å
340	K	94.9	Very high	81.4	Confident	0 Å²	0	21 Å²	21	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.6	176.9	69.9	172.4	-173.2	173.1	0	112.9	L262 W263 F285 E287 R310 I311 F338 P528 L529 V530	L262-K340 WeakPolarHBondContact O-CE 3.38Å; L262-K340 PolarHBondContact O-NZ 3.39Å; W263-K340 VanDerWaalsContact C-NZ 3.34Å; W263-K340 WeakPolarHBondContact O-CE 3.35Å; W263-K340 PolarHBondContact O-NZ 3.01Å; F285-K340 HydrophobicContact CZ-CD 3.86Å; E287-K340 IonicContact OE1-NZ 2.87Å; E287-K340 PolarHBondContact OE1-NZ 2.86Å; E287-K340 IonicContact OE2-NZ 2.75Å; E287-K340 PolarHBondContact OE2-NZ 2.99Å; R310-K340 HydrophobicContact CG-CD 4.42Å; I311-K340 VanDerWaalsContact O-CA 3.26Å; I311-K340 WeakPolarHBondContact O-CA 3.29Å; F338-K340 HydrophobicContact CE1-CB 4.43Å; F338-K340 HydrophobicContact CZ-CB 4.27Å; K340-P528 PolarHBondContact N-O 3.48Å; K340-L529 HydrophobicContact CG-CD1 4.08Å; K340-V530 PolarHBondContact O-N 3.14Å
341	T	92	Very high	81.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.2	178	-180	0	0	0	0	110.3	R310 I311 L440 T532 S533 V534	R310-T341 VanDerWaalsContact CA-O 3.29Å; R310-T341 WeakPolarHBondContact CA-O 3.25Å; R310-T341 WeakPolarHBondContact CD-O 3.34Å; I311-T341 HydrophobicContact CG2-CG2 3.69Å; I311-T341 PolarHBondContact N-O 2.95Å; I311-T341 PolarHBondContact O-N 3.35Å; T341-L440 HydrophobicContact CG2-CD2 3.62Å; T341-L440 HydrophobicContact CG2-CG 3.95Å; T341-T532 PolarHBondContact OG1-O 2.73Å; T341-S533 WeakPolarHBondContact OG1-CA 3.48Å; T341-V534 HydrophobicContact CG2-CG2 3.58Å
342	Q	92.2	Very high	81.9	Confident	26 Å²	26	21.7 Å²	21.7	12%	0.121	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142	176.6	-176	172.5	-12.2	0	0	111.4	T309 V344 V534	T309-Q342 WeakPolarHBondContact O-CA 3.39Å; Q342-V344 HydrophobicContact CG-CG2 4.04Å; Q342-V534 PolarHBondContact O-N 2.95Å
343	L	94.5	Very high	81.3	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.8	162.4	-61.8	-175.1	0	0	0	109.5	I284 T309 I311 F412 M416 F431 V534	I284-L343 HydrophobicContact CG2-CD1 4.47Å; T309-L343 HydrophobicContact CG2-CB 4.38Å; T309-L343 HydrophobicContact CG2-CD1 3.95Å; T309-L343 HydrophobicContact CG2-CG 4.42Å; T309-L343 PolarHBondContact O-N 3.47Å; I311-L343 HydrophobicContact CB-CD1 4.46Å; I311-L343 HydrophobicContact CB-CD2 4.14Å; I311-L343 HydrophobicContact CB-CG 4.28Å; I311-L343 HydrophobicContact CG2-CD2 3.56Å; I311-L343 HydrophobicContact CG2-CG 4.11Å; L343-F412 HydrophobicContact CD1-CE2 4.14Å; L343-F412 HydrophobicContact CD1-CZ 4.22Å; L343-M416 HydrophobicContact CB-CE 4.48Å; L343-F431 HydrophobicContact CB-CE1 4.04Å; L343-F431 HydrophobicContact CB-CZ 3.89Å; L343-F431 HydrophobicContact CD1-CD2 4.46Å; L343-F431 HydrophobicContact CD1-CE2 4.31Å; L343-F431 HydrophobicContact CD1-CZ 4.43Å; L343-F431 HydrophobicContact CD2-CD1 4Å; L343-F431 HydrophobicContact CD2-CE1 4.02Å; L343-F431 HydrophobicContact CD2-CG 4.45Å; L343-F431 HydrophobicContact CG-CE1 4.47Å; L343-V534 HydrophobicContact CD2-CB 3.83Å; L343-V534 HydrophobicContact CD2-CG1 4.2Å; L343-V534 HydrophobicContact CD2-CG2 4.37Å
344	V	90.4	Very high	79.6	Confident	3 Å²	3	31 Å²	31	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.5	-176.8	174.2	0	0	0	0	109.9	Q342 R346 V534 W535 A536	Q342-V344 HydrophobicContact CG-CG2 4.04Å; V344-R346 HydrophobicContact CG1-CG 4.08Å; V344-R346 VanDerWaalsContact CG1-NE 3.34Å; V344-V534 PolarHBondContact N-O 2.87Å; V344-W535 HydrophobicContact CG1-CD2 4.26Å; V344-W535 HydrophobicContact CG1-CE3 3.83Å; V344-W535 HydrophobicContact CG1-CZ3 4.11Å; V344-A536 PolarHBondContact O-N 3.06Å
345	C	93.5	Very high	77.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.			trans	-135	133.9	173.8	-171.2	0	0	0	0	110.8	F392 M416 C429 A536 G561 A563	C345-F392 HydrophobicContact CB-CB 4.32Å; C345-F392 PolarHBondContact O-N 2.99Å; C345-M416 HydrophobicContact CB-SD 3.6Å; C345-C429 HydrophobicContact CB-CB 3.78Å; C345-C429 WeakPolarHBondContact CB-SG 3.28Å; C345-C429 WeakPolarHBondContact SG-CB 3.34Å; C345-C429 CovalentContact SG-SG 2.01Å; C345-C429 PolarHBondContact SG-SG 2.87Å; C345-A536 HydrophobicContact CB-CB 4.28Å; C345-G561 CarbonylContact C-O 3.42Å; C345-A563 VanDerWaalsContact SG-CB 3.6Å
346	R	91	Very high	74.8	Confident	30 Å²	30	43.1 Å²	43.1	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.1	-167.5	-66.7	177.2	-177.7	-178.5	6.4	112.7	V344 Y348 Y389 L390 E391 G561 K562 A563	V344-R346 HydrophobicContact CG1-CG 4.08Å; V344-R346 VanDerWaalsContact CG1-NE 3.34Å; R346-Y348 HydrophobicContact CB-CE2 3.91Å; R346-Y348 WeakPolarHBondContact CD-OH 2.99Å; R346-Y389 HydrophobicContact CB-CD2 4.38Å; R346-Y389 HydrophobicContact CG-CD2 3.92Å; R346-Y389 HydrophobicContact CG-CE2 4.3Å; R346-L390 CarbonylContact C-O 3.49Å; R346-L390 VanDerWaalsContact CA-O 3.22Å; R346-L390 WeakPolarHBondContact CA-O 3.29Å; R346-E391 HydrophobicContact CG-CB 4.48Å; R346-E391 HydrophobicContact CG-CG 4.05Å; R346-E391 IonicContact NE-OE1 3.63Å; R346-E391 IonicContact NH2-OE1 3.58Å; R346-G561 PolarHBondContact N-O 2.83Å; R346-K562 CarbonylContact O-C 3.56Å; R346-K562 WeakPolarHBondContact O-CA 3.03Å; R346-A563 PolarHBondContact O-N 3.42Å
347	A	88.2	Confident	72.2	Confident	22 Å²	22	49.6 Å²	49.6	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.4	164.5	0	0	0	0	0	110.3	Y389 L390 F392 V566	A347-Y389 CarbonylContact O-C 3.45Å; A347-Y389 WeakPolarHBondContact O-CA 3.28Å; A347-Y389 VanDerWaalsContact O-CB 3.31Å; A347-Y389 WeakPolarHBondContact O-CB 3.37Å; A347-L390 PolarHBondContact N-O 3.18Å; A347-L390 PolarHBondContact O-N 2.84Å; A347-F392 HydrophobicContact CB-CE2 3.76Å; A347-F392 HydrophobicContact CB-CZ 4.48Å; A347-V566 HydrophobicContact CB-CG2 3.62Å
348	Y	82.2	Confident	69.6	Low	39 Å²	39	53.9 Å²	53.9	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.7	-174.9	-65.5	-90.8	0	0	0	109.7	R346 Y389 Q559 P560 K562	R346-Y348 HydrophobicContact CB-CE2 3.91Å; R346-Y348 WeakPolarHBondContact CD-OH 2.99Å; Y348-Y389 HydrophobicContact CE1-CD1 4.34Å; Y348-Y389 HydrophobicContact CE1-CG 4.17Å; Y348-Q559 HydrophobicContact CD1-CB 4.45Å; Y348-Q559 HydrophobicContact CD1-CG 4.05Å; Y348-Q559 HydrophobicContact CD2-CB 3.63Å; Y348-Q559 HydrophobicContact CD2-CG 3.84Å; Y348-Q559 HydrophobicContact CE1-CG 4.49Å; Y348-Q559 HydrophobicContact CE2-CB 3.69Å; Y348-Q559 HydrophobicContact CE2-CG 4.29Å; Y348-Q559 HydrophobicContact CG-CB 4.05Å; Y348-Q559 HydrophobicContact CG-CG 3.72Å; Y348-P560 WeakPolarHBondContact OH-CD 3.42Å; Y348-P560 PolarHBondContact OH-O 2.95Å; Y348-K562 HydrophobicContact CD2-CB 4.34Å; Y348-K562 HydrophobicContact CD2-CG 4.31Å; Y348-K562 HydrophobicContact CE2-CB 4.24Å
349	S	71.8	Confident	66.9	Low	55 Å²	55	59.4 Å²	59.4	39%	0.385	31%	0.312	S	S	.	.			trans	-68.2	135	175.4	179.1	0	0	0	0	111.3	E351 S352 S388	S349-E351 VanDerWaalsContact C-N 3.3Å; S349-E351 PolarHBondContact O-N 2.85Å; S349-E351 PolarHBondContact OG-N 3.14Å; S349-S352 PolarHBondContact O-OG 3.32Å; S349-S388 PolarHBondContact N-O 3.21Å
350	S	59.6	Low	64.1	Low	93 Å²	93	64.5 Å²	64.5	65%	0.65	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.9	175.8	49.1	0	0	0	0	113.3	S352 I353	S350-S352 VanDerWaalsContact C-N 3.26Å; S350-S352 PolarHBondContact O-N 2.88Å; S350-I353 PolarHBondContact O-N 2.88Å
351	E	50.1	Low	61.3	Low	109 Å²	109	74.1 Å²	74.1	51%	0.509	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.8	-175.4	-71.7	-174.6	162.9	0	0	113.8	S349 I353 H354	S349-E351 VanDerWaalsContact C-N 3.3Å; S349-E351 PolarHBondContact O-N 2.85Å; S349-E351 PolarHBondContact OG-N 3.14Å; E351-I353 PolarHBondContact O-N 3.33Å; E351-I353 VanDerWaalsContact O-N 3.11Å; E351-H354 PolarHBondContact O-N 2.61Å
352	S	44.9	Very low	58.6	Low	46 Å²	46	82.4 Å²	82.4	32%	0.322	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-14.7	176.4	62.1	0	0	0	0	113.8	S349 S350	S349-S352 PolarHBondContact O-OG 3.32Å; S350-S352 VanDerWaalsContact C-N 3.26Å; S350-S352 PolarHBondContact O-N 2.88Å
353	I	44.4	Very low	56	Low	84 Å²	84	84.3 Å²	84.3	43%	0.431	43%	0.428	S	S	.	.	H	α-helix	trans	-83	-35.6	-177.5	-59.4	173.8	0	0	0	111.6	S350 E351	S350-I353 PolarHBondContact O-N 2.88Å; E351-I353 PolarHBondContact O-N 3.33Å; E351-I353 VanDerWaalsContact O-N 3.11Å
354	H	35.8	Very low	53.1	Low	138 Å²	138	92.2 Å²	92.2	64%	0.639	46%	0.459	S	S	*	.	H	α-helix	trans	-86.9	-24.5	-171.8	-75.9	-46.6	0	0	0	115.1	E351 T358	E351-H354 PolarHBondContact O-N 2.61Å; H354-T358 PolarHBondContact O-OG1 3.47Å
355	Q	33.3	Very low	50.6	Low	142 Å²	142	99.8 Å²	99.8	66%	0.664	50%	0.499	S	S	*	.	H	α-helix	trans	-86.2	-23.9	-178.2	-71.2	-173.7	-10.2	0	0	113.9	T358 N359	Q355-T358 PolarHBondContact O-OG1 2.77Å; Q355-N359 PolarHBondContact O-N 2.92Å; Q355-N359 PolarHBondContact O-ND2 3.16Å
356	E	38.9	Very low	48	Very low	115 Å²	115	108.7 Å²	108.7	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-76.2	-32.7	174.6	-74.5	-166.8	154.8	0	0	112.5	T358 H360 K558	E356-T358 PolarHBondContact O-N 3.43Å; E356-H360 WeakPolarHBondContact O-CB 3.5Å; E356-H360 PolarHBondContact O-N 2.8Å; E356-K558 IonicContact OE2-NZ 2.95Å; E356-K558 PolarHBondContact OE2-NZ 3.02Å
357	E	36.7	Very low	45.4	Very low	136 Å²	136	115.6 Å²	115.6	64%	0.636	57%	0.569	S	S	*	*	H	α-helix	trans	-69.7	-32.5	179.4	-72.4	-176.2	166.3	0	0	112.7
358	T	38.9	Very low	42.7	Very low	92 Å²	92	123 Å²	123	56%	0.564	61%	0.606	S	S	*	*	H	α-helix	trans	-80.6	-35.7	180	44.4	0	0	0	0	112.9	H354 Q355 E356	H354-T358 PolarHBondContact O-OG1 3.47Å; Q355-T358 PolarHBondContact O-OG1 2.77Å; E356-T358 PolarHBondContact O-N 3.43Å
359	N	37.5	Very low	40.4	Very low	116 Å²	116	124 Å²	124	62%	0.62	63%	0.628	S	S	*	*	H	α-helix	trans	-80.5	-21	179.2	-72.3	-25.7	0	0	0	113.5	Q355	Q355-N359 PolarHBondContact O-N 2.92Å; Q355-N359 PolarHBondContact O-ND2 3.16Å
360	H	35.2	Very low	38.5	Very low	107 Å²	107	130.5 Å²	130.5	50%	0.495	65%	0.652	S	S	.	*	H	α-helix	trans	-79.3	-24	177.6	-147.5	25.8	0	0	0	113.2	E356 Q362 S363 Y364	E356-H360 WeakPolarHBondContact O-CB 3.5Å; E356-H360 PolarHBondContact O-N 2.8Å; H360-Q362 VanDerWaalsContact C-N 3.3Å; H360-Q362 PolarHBondContact O-N 3.08Å; H360-S363 PolarHBondContact O-N 2.78Å; H360-Y364 AromaticContact CD2-CE2 3.84Å; H360-Y364 AromaticContact CE1-CE2 3.54Å; H360-Y364 AromaticContact ND1-CE2 3.92Å; H360-Y364 AromaticContact NE2-CE2 3.47Å; H360-Y364 WeakPolarHBondContact NE2-CE2 3.21Å; H360-Y364 AromaticContact NE2-CZ 3.94Å; H360-Y364 WeakPolarHBondContact O-CD2 3.01Å
361	Y	36	Very low	37.4	Very low	203 Å²	203	129.1 Å²	129.1	80%	0.796	65%	0.653	S	S	*	*	H	α-helix	trans	-71.7	-22.4	178.1	-147	-93.4	0	0	0	113.3
362	Q	35.9	Very low	36.7	Very low	173 Å²	173	131.8 Å²	131.8	81%	0.808	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-3.9	178.4	-70.3	-172.8	-4.2	0	0	114.7	H360	H360-Q362 VanDerWaalsContact C-N 3.3Å; H360-Q362 PolarHBondContact O-N 3.08Å
363	S	38.5	Very low	36.3	Very low	67 Å²	67	136.2 Å²	136.2	47%	0.469	70%	0.696	S	S	.	*	S	Bend	trans	-96.3	-8.8	178.5	-173.4	0	0	0	0	114.2	H360	H360-S363 PolarHBondContact O-N 2.78Å
364	Y	32.6	Very low	36	Very low	167 Å²	167	141.9 Å²	141.9	66%	0.655	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-84.1	-11.2	-176	-88.3	-78.2	0	0	0	115.3	H360	H360-Y364 AromaticContact CD2-CE2 3.84Å; H360-Y364 AromaticContact CE1-CE2 3.54Å; H360-Y364 AromaticContact ND1-CE2 3.92Å; H360-Y364 AromaticContact NE2-CE2 3.47Å; H360-Y364 WeakPolarHBondContact NE2-CE2 3.21Å; H360-Y364 AromaticContact NE2-CZ 3.94Å; H360-Y364 WeakPolarHBondContact O-CD2 3.01Å
365	D	38.7	Very low	35.9	Very low	161 Å²	161	144.8 Å²	144.8	86%	0.861	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-93.7	10.3	-176.3	-82.9	-17	0	0	0	115.8
366	K	38	Very low	35.8	Very low	187 Å²	187	141.4 Å²	141.4	81%	0.813	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-130.7	14.6	179.2	-129.9	176.9	-174.7	176.4	0	117.9
367	F	35.6	Very low	35.5	Very low	175 Å²	175	144.8 Å²	144.8	77%	0.768	74%	0.741	S	S	*	*			trans	-124.6	42.3	175.7	-78.5	-79.8	0	0	0	113.6	G369	F367-G369 PolarHBondContact O-N 2.77Å
368	N	32.7	Very low	35.2	Very low	179 Å²	179	146.6 Å²	146.6	96%	0.957	75%	0.746	S	S	*	*			trans	-83.8	76.9	153.5	-80.3	-16.4	0	0	0	108.5
369	G	34.7	Very low	34.9	Very low	59 Å²	59	145.8 Å²	145.8	61%	0.608	74%	0.739	S	S	*	*	S	Bend	trans	-161.2	78.2	-177.7	0	0	0	0	0	111.4	F367	F367-G369 PolarHBondContact O-N 2.77Å
370	Q	31.8	Very low	34.9	Very low	192 Å²	192	146.8 Å²	146.8	90%	0.897	74%	0.74	S	S	*	*			trans	34.9	101.4	150.1	-146.7	90.5	-7.5	0	0	118
371	G	35.1	Very low	35.1	Very low	64 Å²	64	147.7 Å²	147.7	66%	0.66	74%	0.744	S	S	*	*			trans	68.2	93.8	134.9	0	0	0	0	0	118.4
372	N	36.2	Very low	35.1	Very low	164 Å²	164	146 Å²	146	88%	0.877	74%	0.741	S	S	*	*			trans	-179.4	91	131.6	-87.7	-28.2	0	0	0	108.5	K374	N372-K374 VanDerWaalsContact C-N 3.32Å; N372-K374 PolarHBondContact O-N 3.35Å
373	T	36.2	Very low	35.2	Very low	140 Å²	140	142.1 Å²	142.1	86%	0.859	73%	0.725	S	S	*	*			trans	-65.3	81.3	-179.1	48.7	0	0	0	0	111.6	K375	T373-K375 PolarHBondContact O-N 2.81Å; T373-K375 VanDerWaalsContact O-N 3.12Å
374	K	36.9	Very low	35.2	Very low	203 Å²	203	142.3 Å²	142.3	88%	0.883	72%	0.723	S	S	*	*			trans	-74.6	94.2	160.9	-83.1	-176.7	176.4	176.6	0	108.1	N372 G376	N372-K374 VanDerWaalsContact C-N 3.32Å; N372-K374 PolarHBondContact O-N 3.35Å; K374-G376 PolarHBondContact O-N 3.03Å
375	K	34.7	Very low	35.7	Very low	198 Å²	198	140.6 Å²	140.6	86%	0.861	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-47	123.4	171.1	-78.3	177.2	172.9	178.4	0	110.2	T373 Y377	T373-K375 PolarHBondContact O-N 2.81Å; T373-K375 VanDerWaalsContact O-N 3.12Å; K375-Y377 PolarHBondContact O-N 3.44Å
376	G	31.7	Very low	35.9	Very low	71 Å²	71	139.7 Å²	139.7	73%	0.732	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-60.9	121.4	-179.4	0	0	0	0	0	112.2	K374	K374-G376 PolarHBondContact O-N 3.03Å
377	Y	31.1	Very low	36.7	Very low	187 Å²	187	137 Å²	137	73%	0.733	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-76.6	117.8	-178	-142.9	-97.8	0	0	0	110.1	K375	K375-Y377 PolarHBondContact O-N 3.44Å
378	F	31	Very low	38.4	Very low	173 Å²	173	131.1 Å²	131.1	76%	0.759	69%	0.685	S	S	*	*			trans	-85.8	107.1	170.4	-102.8	-89.9	0	0	0	109.5
379	N	33	Very low	40.6	Very low	75 Å²	75	124.1 Å²	124.1	40%	0.401	65%	0.645	S	S	.	*			trans	-105	130.8	167	-92.5	-6.4	0	0	0	107.7	Q381 K382	N379-Q381 HydrophobicContact CB-CB 4.12Å; N379-Q381 PolarHBondContact O-N 2.85Å; N379-K382 WeakPolarHBondContact O-CB 2.95Å; N379-K382 PolarHBondContact O-N 3.37Å
380	E	38.3	Very low	42.9	Very low	137 Å²	137	124.8 Å²	124.8	64%	0.64	64%	0.635	S	S	*	*	H	α-helix	trans	-52.2	-25.7	165.2	-72.9	-179.5	148.2	0	0	111.6	K382 I383 T384 L635	E380-K382 PolarHBondContact O-N 2.91Å; E380-I383 PolarHBondContact O-N 3.35Å; E380-I383 VanDerWaalsContact O-N 3.13Å; E380-T384 PolarHBondContact O-N 3.05Å; E380-L635 HydrophobicContact CG-CD2 4.32Å
381	Q	38.7	Very low	45.5	Very low	127 Å²	127	117.5 Å²	117.5	59%	0.593	60%	0.6	S	S	*	*	H	α-helix	trans	-60.8	-24.1	172.1	-68.4	179.4	-16.2	0	0	114.3	N379 I383 T384 N385	N379-Q381 HydrophobicContact CB-CB 4.12Å; N379-Q381 PolarHBondContact O-N 2.85Å; Q381-I383 VanDerWaalsContact C-N 3.34Å; Q381-T384 VanDerWaalsContact CA-OG1 3.23Å; Q381-T384 WeakPolarHBondContact CA-OG1 3.46Å; Q381-T384 PolarHBondContact O-N 2.81Å; Q381-T384 PolarHBondContact O-OG1 2.93Å; Q381-N385 VanDerWaalsContact O-CG 3.27Å; Q381-N385 PolarHBondContact O-N 3.26Å; Q381-N385 PolarHBondContact O-OD1 3.33Å
382	K	35.8	Very low	48.2	Very low	168 Å²	168	114.4 Å²	114.4	73%	0.73	57%	0.569	S	S	*	*	H	α-helix	trans	-73.6	-28.9	177.3	-153	179.4	-177.8	-171.3	0	111.7	N379 E380	N379-K382 WeakPolarHBondContact O-CB 2.95Å; N379-K382 PolarHBondContact O-N 3.37Å; E380-K382 PolarHBondContact O-N 2.91Å
383	I	37.3	Very low	50.7	Low	90 Å²	90	107.1 Å²	107.1	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-76.4	-29.3	170.9	-60.7	175.5	0	0	0	110.5	E380 Q381 N385 E386 Y389	E380-I383 PolarHBondContact O-N 3.35Å; E380-I383 VanDerWaalsContact O-N 3.13Å; Q381-I383 VanDerWaalsContact C-N 3.34Å; I383-N385 VanDerWaalsContact C-N 3.33Å; I383-N385 PolarHBondContact O-N 3.1Å; I383-E386 CarbonylContact O-C 3.56Å; I383-Y389 HydrophobicContact CG2-CD1 4.4Å; I383-Y389 HydrophobicContact CG2-CE1 3.88Å
384	T	38.4	Very low	53.4	Low	72 Å²	72	103.5 Å²	103.5	44%	0.442	50%	0.501	S	S	.	.	H	α-helix	trans	-73.2	-23.9	177.5	60.9	0	0	0	0	114	E380 Q381 E386	E380-T384 PolarHBondContact O-N 3.05Å; Q381-T384 VanDerWaalsContact CA-OG1 3.23Å; Q381-T384 WeakPolarHBondContact CA-OG1 3.46Å; Q381-T384 PolarHBondContact O-N 2.81Å; Q381-T384 PolarHBondContact O-OG1 2.93Å; T384-E386 VanDerWaalsContact C-N 3.29Å; T384-E386 PolarHBondContact O-N 3.25Å
385	N	43.3	Very low	56.1	Low	131 Å²	131	93.8 Å²	93.8	70%	0.701	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.5	-178.6	-70.3	-4.5	0	0	0	112.9	Q381 I383	Q381-N385 VanDerWaalsContact O-CG 3.27Å; Q381-N385 PolarHBondContact O-N 3.26Å; Q381-N385 PolarHBondContact O-OD1 3.33Å; I383-N385 VanDerWaalsContact C-N 3.33Å; I383-N385 PolarHBondContact O-N 3.1Å
386	E	43.8	Very low	58.8	Low	141 Å²	141	85.6 Å²	85.6	66%	0.659	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.3	79.4	173	-70.3	175.8	-173.3	0	0	107.7	I383 T384 S388	I383-E386 CarbonylContact O-C 3.56Å; T384-E386 VanDerWaalsContact C-N 3.29Å; T384-E386 PolarHBondContact O-N 3.25Å; E386-S388 PolarHBondContact O-N 3.17Å
387	K	54.6	Low	61.8	Low	130 Å²	130	82.5 Å²	82.5	57%	0.565	39%	0.392	S	S	*	.			trans	-65.3	80.2	172.2	-73.8	-172.7	179.8	-175.7	0	109.5	Y389	K387-Y389 HydrophobicContact CB-CE1 4.45Å; K387-Y389 HydrophobicContact CG-CE1 4.16Å; K387-Y389 PolarHBondContact O-N 2.8Å
388	S	70.4	Confident	64.8	Low	52 Å²	52	74.5 Å²	74.5	36%	0.364	36%	0.362	S	S	.	.			trans	-77.7	13.3	171.1	59.4	0	0	0	0	112.6	S349 E386	S349-S388 PolarHBondContact N-O 3.21Å; E386-S388 PolarHBondContact O-N 3.17Å
389	Y	78.7	Confident	67.9	Low	32 Å²	32	66.6 Å²	66.6	13%	0.125	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148	-178.8	70.5	-91	0	0	0	112.3	R346 A347 Y348 I383 K387 E391	R346-Y389 HydrophobicContact CB-CD2 4.38Å; R346-Y389 HydrophobicContact CG-CD2 3.92Å; R346-Y389 HydrophobicContact CG-CE2 4.3Å; A347-Y389 CarbonylContact O-C 3.45Å; A347-Y389 WeakPolarHBondContact O-CA 3.28Å; A347-Y389 VanDerWaalsContact O-CB 3.31Å; A347-Y389 WeakPolarHBondContact O-CB 3.37Å; Y348-Y389 HydrophobicContact CE1-CD1 4.34Å; Y348-Y389 HydrophobicContact CE1-CG 4.17Å; I383-Y389 HydrophobicContact CG2-CD1 4.4Å; I383-Y389 HydrophobicContact CG2-CE1 3.88Å; K387-Y389 HydrophobicContact CB-CE1 4.45Å; K387-Y389 HydrophobicContact CG-CE1 4.16Å; K387-Y389 PolarHBondContact O-N 2.8Å; Y389-E391 HydrophobicContact CE2-CB 4.36Å
390	L	84.1	Confident	70.6	Confident	74 Å²	74	69.1 Å²	69.1	39%	0.387	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.5	169.7	-176.6	69.9	0	0	0	109	R346 A347 F392 T418 L425	R346-L390 CarbonylContact C-O 3.49Å; R346-L390 VanDerWaalsContact CA-O 3.22Å; R346-L390 WeakPolarHBondContact CA-O 3.29Å; A347-L390 PolarHBondContact N-O 3.18Å; A347-L390 PolarHBondContact O-N 2.84Å; L390-F392 HydrophobicContact CD2-CE1 4.44Å; L390-F392 HydrophobicContact CD2-CE2 4.16Å; L390-F392 HydrophobicContact CD2-CZ 3.77Å; L390-F392 HydrophobicContact CG-CE2 4.4Å; L390-F392 HydrophobicContact CG-CZ 4.44Å; L390-T418 HydrophobicContact CD1-CG2 4.03Å; L390-T418 HydrophobicContact CD2-CG2 3.96Å; L390-T418 HydrophobicContact CG-CG2 4.04Å; L390-L425 HydrophobicContact CD2-CD1 3.72Å
391	E	87.1	Confident	73.3	Confident	38 Å²	38	63.1 Å²	63.1	18%	0.178	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.2	-178.4	-159.6	168.8	-164	0	0	111.8	R346 Y389 N393	R346-E391 HydrophobicContact CG-CB 4.48Å; R346-E391 HydrophobicContact CG-CG 4.05Å; R346-E391 IonicContact NE-OE1 3.63Å; R346-E391 IonicContact NH2-OE1 3.58Å; Y389-E391 HydrophobicContact CE2-CB 4.36Å; E391-N393 VanDerWaalsContact CD-OD1 3.27Å; E391-N393 WeakPolarHBondContact CG-OD1 3.46Å
392	F	91.5	Very high	75.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.			trans	-99.6	87.9	178.1	-63.7	-92	0	0	0	108.5	C345 A347 L390 M416 T417 T418 L425 A427 V566	C345-F392 HydrophobicContact CB-CB 4.32Å; C345-F392 PolarHBondContact O-N 2.99Å; A347-F392 HydrophobicContact CB-CE2 3.76Å; A347-F392 HydrophobicContact CB-CZ 4.48Å; L390-F392 HydrophobicContact CD2-CE1 4.44Å; L390-F392 HydrophobicContact CD2-CE2 4.16Å; L390-F392 HydrophobicContact CD2-CZ 3.77Å; L390-F392 HydrophobicContact CG-CE2 4.4Å; L390-F392 HydrophobicContact CG-CZ 4.44Å; F392-M416 HydrophobicContact CB-CB 3.78Å; F392-M416 WeakPolarHBondContact O-CE 3.28Å; F392-T417 CarbonylContact C-O 3.53Å; F392-T417 WeakPolarHBondContact CA-O 3.42Å; F392-T418 HydrophobicContact CD1-CG2 4.16Å; F392-T418 HydrophobicContact CE1-CG2 4.1Å; F392-L425 HydrophobicContact CE1-CB 4.1Å; F392-A427 HydrophobicContact CB-CB 4.06Å; F392-A427 HydrophobicContact CD1-CB 3.42Å; F392-A427 VanDerWaalsContact CD1-CB 3.42Å; F392-A427 HydrophobicContact CD2-CB 3.54Å; F392-A427 HydrophobicContact CE1-CB 3.65Å; F392-A427 HydrophobicContact CE2-CB 3.77Å; F392-A427 HydrophobicContact CG-CB 3.37Å; F392-A427 HydrophobicContact CZ-CB 3.83Å; F392-V566 HydrophobicContact CE1-CG1 4.37Å; F392-V566 HydrophobicContact CE2-CG1 4.48Å; F392-V566 HydrophobicContact CE2-CG2 3.72Å; F392-V566 HydrophobicContact CZ-CB 4.31Å; F392-V566 HydrophobicContact CZ-CG1 3.64Å; F392-V566 HydrophobicContact CZ-CG2 3.67Å
393	N	88.5	Confident	78.5	Confident	11 Å²	11	52 Å²	52	6%	0.059	27%	0.265	C	S	.	.			trans	-81.9	-29.1	-169.8	-72	-40	0	0	0	113.3	T307 I308 T309 E391 T417 I419	T307-N393 VanDerWaalsContact O-CB 3.29Å; T307-N393 WeakPolarHBondContact O-CB 3.49Å; I308-N393 CarbonylContact C-O 3.58Å; I308-N393 VanDerWaalsContact C-O 3.27Å; I308-N393 VanDerWaalsContact CA-O 3.26Å; I308-N393 WeakPolarHBondContact CA-O 3.44Å; I308-N393 HydrophobicContact CG2-CB 4.11Å; T309-N393 WeakPolarHBondContact CB-O 3.5Å; T309-N393 PolarHBondContact N-O 3.16Å; T309-N393 PolarHBondContact OG1-O 2.97Å; E391-N393 VanDerWaalsContact CD-OD1 3.27Å; E391-N393 WeakPolarHBondContact CG-OD1 3.46Å; N393-T417 PolarHBondContact N-O 3.31Å; N393-T417 VanDerWaalsContact N-O 3.13Å; N393-I419 HydrophobicContact CB-CG1 4.44Å
394	R	92	Very high	81.1	Confident	63 Å²	63	47.9 Å²	47.9	24%	0.238	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.2	-169.7	-177.5	179.5	177.6	-101.2	-5.5	112.1	T286 T307 T309 M416 T417	T286-R394 HydrophobicContact CG2-CG 3.99Å; T307-R394 HydrophobicContact CG2-CB 4.31Å; T307-R394 HydrophobicContact CG2-CG 3.87Å; T309-R394 WeakPolarHBondContact OG1-CA 3.49Å; R394-M416 CarbonylContact O-C 3.59Å; R394-M416 VanDerWaalsContact O-CA 3.28Å; R394-M416 WeakPolarHBondContact O-CA 3.3Å; R394-T417 HydrophobicContact CB-CG2 4.13Å; R394-T417 HydrophobicContact CG-CG2 4.46Å; R394-T417 PolarHBondContact N-O 2.97Å; R394-T417 VanDerWaalsContact N-O 3.09Å; R394-T417 PolarHBondContact O-N 3.4Å
395	A	94.5	Very high	83.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.9	169	0	0	0	0	0	110.8	L271 T286 T309 V398 L415 M416	L271-A395 HydrophobicContact CD1-CB 3.53Å; T286-A395 HydrophobicContact CG2-CB 4.43Å; T309-A395 HydrophobicContact CG2-CB 3.64Å; T309-A395 PolarHBondContact OG1-N 2.78Å; A395-V398 HydrophobicContact CB-CG2 4.39Å; A395-L415 WeakPolarHBondContact CA-O 3.41Å; A395-M416 HydrophobicContact CB-CG 4.27Å
396	I	92	Very high	85.1	Confident	25 Å²	25	45.5 Å²	45.5	13%	0.128	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-46.2	174.1	-63.9	177.9	0	0	0	109.2	L415 T417 Y426 P583	I396-L415 PolarHBondContact N-O 2.81Å; I396-T417 HydrophobicContact CD1-CG2 3.88Å; I396-T417 HydrophobicContact CG1-CG2 3.89Å; I396-Y426 HydrophobicContact CD1-CD1 3.61Å; I396-Y426 HydrophobicContact CD1-CE1 3.47Å; I396-Y426 VanDerWaalsContact CD1-CE1 3.47Å; I396-P583 HydrophobicContact CD1-CG 3.73Å; I396-P583 WeakPolarHBondContact CG2-O 3.41Å
397	A	93	Very high	87	Confident	7 Å²	7	45.2 Å²	45.2	6%	0.058	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.6	177.6	0	0	0	0	0	109.4	L415 F586	A397-L415 PolarHBondContact O-N 3.04Å; A397-F586 HydrophobicContact CB-CD1 3.74Å; A397-F586 HydrophobicContact CB-CE1 4.09Å; A397-F586 WeakPolarHBondContact O-CE1 3.35Å
398	V	95.8	Very high	88.5	Confident	19 Å²	19	43.4 Å²	43.4	12%	0.115	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.1	-179.4	-168.8	0	0	0	0	107.7	L271 I284 A395 F412 Y413	L271-V398 HydrophobicContact CB-CG2 4.18Å; L271-V398 HydrophobicContact CD1-CG2 3.93Å; I284-V398 HydrophobicContact CB-CG2 4.47Å; I284-V398 HydrophobicContact CD1-CG1 3.76Å; I284-V398 HydrophobicContact CG2-CG2 3.88Å; A395-V398 HydrophobicContact CB-CG2 4.39Å; V398-F412 HydrophobicContact CG1-CD2 3.53Å; V398-F412 HydrophobicContact CG1-CE2 4.09Å; V398-F412 HydrophobicContact CG1-CG 4.36Å; V398-Y413 VanDerWaalsContact CG1-O 3.3Å; V398-Y413 WeakPolarHBondContact CG1-O 3.49Å
399	S	94.5	Very high	89.5	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.042	23%	0.225	C	C	.	.			trans	-67.9	170.5	172.7	72.6	0	0	0	0	111	F412 Y413 F586	S399-F412 WeakPolarHBondContact OG-CA 3.41Å; S399-F412 WeakPolarHBondContact OG-CB 3.3Å; S399-Y413 PolarHBondContact N-O 2.65Å; S399-Y413 PolarHBondContact OG-N 2.95Å; S399-Y413 PolarHBondContact OG-O 2.94Å; S399-F586 VanDerWaalsContact N-CZ 3.32Å
400	E	91.1	Very high	90.3	Very high	129 Å²	129	40.7 Å²	40.7	60%	0.603	22%	0.224	S	C	*	.			trans	-56.4	148.6	159.7	-174.3	178.5	-179.4	0	0	110.9	V402	E400-V402 HydrophobicContact CB-CG1 4.32Å; E400-V402 HydrophobicContact CG-CG1 4.13Å
401	I	94.4	Very high	90.8	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.056	21%	0.205	C	C	.	.			trans	-86.3	110.2	170.3	-56.9	-176.4	0	0	0	108.1	V276 I284 H410 V411 F412 L433	V276-I401 HydrophobicContact CG2-CG2 4.4Å; I284-I401 HydrophobicContact CD1-CD1 4.46Å; I401-H410 HydrophobicContact CG2-CB 3.6Å; I401-V411 WeakPolarHBondContact CA-O 3.17Å; I401-F412 HydrophobicContact CD1-CD1 4.29Å; I401-F412 HydrophobicContact CG1-CB 4.07Å; I401-F412 HydrophobicContact CG1-CD1 4.01Å; I401-F412 HydrophobicContact CG1-CG 4.19Å; I401-L433 HydrophobicContact CD1-CD2 4.34Å; I401-L433 HydrophobicContact CG2-CD1 3.86Å; I401-L433 HydrophobicContact CG2-CG 4.08Å
402	V	92	Very high	91.3	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.2	-174.9	-62.3	0	0	0	0	111.4	E400 H410 V411 W590 K622	E400-V402 HydrophobicContact CB-CG1 4.32Å; E400-V402 HydrophobicContact CG-CG1 4.13Å; V402-H410 CarbonylContact O-C 3.57Å; V402-H410 WeakPolarHBondContact O-CA 3.49Å; V402-H410 WeakPolarHBondContact O-CB 3.25Å; V402-V411 HydrophobicContact CG2-CG2 3.94Å; V402-V411 PolarHBondContact N-O 2.84Å; V402-V411 PolarHBondContact O-N 2.79Å; V402-W590 HydrophobicContact CB-CZ2 4.42Å; V402-W590 HydrophobicContact CG1-CD2 4.47Å; V402-W590 HydrophobicContact CG1-CZ2 3.95Å; V402-W590 HydrophobicContact CG2-CD2 3.87Å; V402-W590 HydrophobicContact CG2-CE3 3.99Å; V402-W590 HydrophobicContact CG2-CH2 3.68Å; V402-W590 HydrophobicContact CG2-CZ2 3.57Å; V402-W590 HydrophobicContact CG2-CZ3 3.89Å; V402-K622 HydrophobicContact CG2-CD 3.98Å; V402-K622 HydrophobicContact CG2-CG 3.96Å
403	P	92.6	Very high	91.6	Very high	47 Å²	47	35.3 Å²	35.3	31%	0.305	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	149.9	174.7	29.4	-34.9	0	0	0	111.2	M407 D409	P403-M407 HydrophobicContact CB-CE 3.82Å; P403-M407 HydrophobicContact CB-SD 3.79Å; P403-M407 HydrophobicContact CG-CE 4.02Å; P403-M407 HydrophobicContact CG-SD 4.07Å; P403-D409 WeakPolarHBondContact CA-O 3.29Å
404	T	90.2	Very high	92	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.025	19%	0.194	C	C	.	.			trans	-68.5	161.1	169.4	53	0	0	0	0	111.1	D406 M407 T408 D409 V411 K622 I625	T404-D406 WeakPolarHBondContact CB-OD1 3Å; T404-D406 PolarHBondContact O-N 3.39Å; T404-D406 PolarHBondContact OG1-OD1 3.17Å; T404-M407 WeakPolarHBondContact O-CA 3.49Å; T404-M407 PolarHBondContact O-N 3.32Å; T404-T408 PolarHBondContact OG1-N 3.45Å; T404-D409 HydrophobicContact CG2-CB 3.93Å; T404-D409 PolarHBondContact N-O 3.17Å; T404-D409 PolarHBondContact OG1-N 2.93Å; T404-D409 VanDerWaalsContact OG1-N 3.08Å; T404-D409 PolarHBondContact OG1-O 2.88Å; T404-D409 VanDerWaalsContact OG1-O 3.06Å; T404-V411 HydrophobicContact CG2-CG1 4.23Å; T404-V411 HydrophobicContact CG2-CG2 4.46Å; T404-K622 CarbonylContact C-O 3.56Å; T404-K622 WeakPolarHBondContact CA-O 3.5Å; T404-K622 WeakPolarHBondContact CB-O 3.44Å; T404-I625 HydrophobicContact CG2-CD1 3.48Å; T404-I625 VanDerWaalsContact CG2-CD1 3.48Å
405	G	83.7	Confident	92.1	Very high	51 Å²	51	31.9 Å²	31.9	53%	0.526	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.5	-177.1	0	0	0	0	0	113.9	K622	G405-K622 PolarHBondContact N-O 2.95Å
406	D	82.6	Confident	92.1	Very high	103 Å²	103	31.9 Å²	31.9	55%	0.551	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.6	172.7	66.7	-15.9	0	0	0	113.3	T404 T408	T404-D406 WeakPolarHBondContact CB-OD1 3Å; T404-D406 PolarHBondContact O-N 3.39Å; T404-D406 PolarHBondContact OG1-OD1 3.17Å; D406-T408 HydrophobicContact CB-CG2 4.12Å; D406-T408 PolarHBondContact O-N 3.48Å; D406-T408 VanDerWaalsContact O-N 3.16Å; D406-T408 PolarHBondContact OD1-N 2.83Å; D406-T408 PolarHBondContact OD1-OG1 3.24Å; D406-T408 VanDerWaalsContact OD1-OG1 3.05Å; D406-T408 WeakPolarHBondContact OD2-CB 3.3Å; D406-T408 WeakPolarHBondContact OD2-CG2 3.1Å; D406-T408 PolarHBondContact OD2-OG1 2.93Å
407	M	84.7	Confident	92.1	Very high	134 Å²	134	30.7 Å²	30.7	66%	0.66	18%	0.177	S	C	*	.	S	Bend	trans	59.3	18.1	-178.5	-51.9	-64.9	-66.6	0	0	114.5	P403 T404	P403-M407 HydrophobicContact CB-CE 3.82Å; P403-M407 HydrophobicContact CB-SD 3.79Å; P403-M407 HydrophobicContact CG-CE 4.02Å; P403-M407 HydrophobicContact CG-SD 4.07Å; T404-M407 WeakPolarHBondContact O-CA 3.49Å; T404-M407 PolarHBondContact O-N 3.32Å
408	T	85.7	Confident	91.8	Very high	92 Å²	92	30.8 Å²	30.8	56%	0.564	18%	0.177	S	C	*	.	S	Bend	trans	-88.2	-22.2	-177.8	66.9	0	0	0	0	113.5	T404 D406	T404-T408 PolarHBondContact OG1-N 3.45Å; D406-T408 HydrophobicContact CB-CG2 4.12Å; D406-T408 PolarHBondContact O-N 3.48Å; D406-T408 VanDerWaalsContact O-N 3.16Å; D406-T408 PolarHBondContact OD1-N 2.83Å; D406-T408 PolarHBondContact OD1-OG1 3.24Å; D406-T408 VanDerWaalsContact OD1-OG1 3.05Å; D406-T408 WeakPolarHBondContact OD2-CB 3.3Å; D406-T408 WeakPolarHBondContact OD2-CG2 3.1Å; D406-T408 PolarHBondContact OD2-OG1 2.93Å
409	D	91.1	Very high	90.5	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.027	19%	0.192	C	C	.	.			trans	-145.1	178.5	-178.2	-159.6	-5	0	0	0	109.8	P403 T404 N432 L433 N434	P403-D409 WeakPolarHBondContact CA-O 3.29Å; T404-D409 HydrophobicContact CG2-CB 3.93Å; T404-D409 PolarHBondContact N-O 3.17Å; T404-D409 PolarHBondContact OG1-N 2.93Å; T404-D409 VanDerWaalsContact OG1-N 3.08Å; T404-D409 PolarHBondContact OG1-O 2.88Å; T404-D409 VanDerWaalsContact OG1-O 3.06Å; D409-N432 WeakPolarHBondContact OD2-CB 3.47Å; D409-N432 PolarHBondContact OD2-ND2 2.93Å; D409-L433 PolarHBondContact OD1-N 3.29Å; D409-N434 WeakPolarHBondContact CB-ND2 3.28Å; D409-N434 PolarHBondContact OD1-N 2.96Å; D409-N434 VanDerWaalsContact OD2-CB 3.29Å; D409-N434 WeakPolarHBondContact OD2-CB 3.13Å; D409-N434 VanDerWaalsContact OD2-CG 3.29Å; D409-N434 PolarHBondContact OD2-ND2 2.6Å
410	H	94.7	Very high	89	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.4	170.4	-56.4	57.6	0	0	0	109.9	N277 I401 V402 N432 L433	N277-H410 PolarHBondContact OD1-CE1 2.99Å; N277-H410 VanDerWaalsContact OD1-CE1 3.24Å; I401-H410 HydrophobicContact CG2-CB 3.6Å; V402-H410 CarbonylContact O-C 3.57Å; V402-H410 WeakPolarHBondContact O-CA 3.49Å; V402-H410 WeakPolarHBondContact O-CB 3.25Å; H410-N432 CarbonylContact O-C 3.47Å; H410-N432 VanDerWaalsContact O-CA 3.25Å; H410-N432 WeakPolarHBondContact O-CA 3.48Å; H410-L433 HydrophobicContact CB-CB 4.31Å; H410-L433 HydrophobicContact CB-CD1 3.76Å; H410-L433 HydrophobicContact CB-CG 3.92Å; H410-L433 PolarHBondContact O-N 3.35Å
411	V	95.2	Very high	87.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156.3	-176.3	-75.9	0	0	0	0	112.6	I401 V402 T404 F431 N432 L621 K622 I625	I401-V411 WeakPolarHBondContact CA-O 3.17Å; V402-V411 HydrophobicContact CG2-CG2 3.94Å; V402-V411 PolarHBondContact N-O 2.84Å; V402-V411 PolarHBondContact O-N 2.79Å; T404-V411 HydrophobicContact CG2-CG1 4.23Å; T404-V411 HydrophobicContact CG2-CG2 4.46Å; V411-F431 WeakPolarHBondContact CA-O 3.26Å; V411-N432 HydrophobicContact CG1-CB 3.86Å; V411-L621 HydrophobicContact CB-CD2 3.78Å; V411-L621 HydrophobicContact CB-CG 3.92Å; V411-L621 HydrophobicContact CG1-CD2 4.35Å; V411-L621 HydrophobicContact CG1-CG 4.11Å; V411-L621 HydrophobicContact CG2-CD2 4.04Å; V411-L621 HydrophobicContact CG2-CG 3.91Å; V411-K622 HydrophobicContact CG2-CG 4.33Å; V411-I625 HydrophobicContact CG1-CD1 3.13Å; V411-I625 HydrophobicContact CG1-CG1 4.24Å
412	F	97.2	Very high	86	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.3	173	62.3	-85	0	0	0	111.2	I284 I311 L343 V398 S399 I401 A430 F431 L433	I284-F412 HydrophobicContact CD1-CD2 4.16Å; I284-F412 HydrophobicContact CD1-CE2 3.72Å; I284-F412 HydrophobicContact CD1-CZ 3.91Å; I311-F412 HydrophobicContact CD1-CE1 4.18Å; I311-F412 HydrophobicContact CD1-CZ 3.99Å; L343-F412 HydrophobicContact CD1-CE2 4.14Å; L343-F412 HydrophobicContact CD1-CZ 4.22Å; V398-F412 HydrophobicContact CG1-CD2 3.53Å; V398-F412 HydrophobicContact CG1-CE2 4.09Å; V398-F412 HydrophobicContact CG1-CG 4.36Å; S399-F412 WeakPolarHBondContact OG-CA 3.41Å; S399-F412 WeakPolarHBondContact OG-CB 3.3Å; I401-F412 HydrophobicContact CD1-CD1 4.29Å; I401-F412 HydrophobicContact CG1-CB 4.07Å; I401-F412 HydrophobicContact CG1-CD1 4.01Å; I401-F412 HydrophobicContact CG1-CG 4.19Å; F412-A430 WeakPolarHBondContact O-CA 3.41Å; F412-F431 HydrophobicContact CD1-CB 4.27Å; F412-F431 HydrophobicContact CD2-CB 4.35Å; F412-F431 HydrophobicContact CD2-CD2 4.34Å; F412-F431 HydrophobicContact CE1-CB 3.67Å; F412-F431 HydrophobicContact CE2-CB 3.78Å; F412-F431 AromaticContact CE2-CD2 3.69Å; F412-F431 HydrophobicContact CE2-CD2 3.69Å; F412-F431 HydrophobicContact CE2-CG 4.02Å; F412-F431 HydrophobicContact CZ-CB 3.4Å; F412-F431 VanDerWaalsContact CZ-CB 3.4Å; F412-F431 HydrophobicContact CZ-CD2 4.1Å; F412-F431 AromaticContact CZ-CG 3.94Å; F412-F431 HydrophobicContact CZ-CG 3.94Å; F412-F431 PolarHBondContact N-O 2.82Å; F412-F431 PolarHBondContact O-N 2.85Å; F412-L433 HydrophobicContact CE1-CD2 4.14Å
413	Y	97.3	Very high	85	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148	168.3	-70.9	-73.9	0	0	0	110.3	V398 S399 L428 C429 A430 L564 V588 W590 D601 I603 L621	V398-Y413 VanDerWaalsContact CG1-O 3.3Å; V398-Y413 WeakPolarHBondContact CG1-O 3.49Å; S399-Y413 PolarHBondContact N-O 2.65Å; S399-Y413 PolarHBondContact OG-N 2.95Å; S399-Y413 PolarHBondContact OG-O 2.94Å; Y413-L428 HydrophobicContact CD1-CD1 4.15Å; Y413-L428 HydrophobicContact CD1-CD2 4.08Å; Y413-L428 HydrophobicContact CD1-CG 4.06Å; Y413-L428 HydrophobicContact CE1-CD2 4.2Å; Y413-L428 HydrophobicContact CG-CD1 4.4Å; Y413-C429 CarbonylContact C-O 3.46Å; Y413-C429 WeakPolarHBondContact CA-O 3.02Å; Y413-A430 HydrophobicContact CD1-CB 3.9Å; Y413-A430 HydrophobicContact CE1-CB 3.91Å; Y413-L564 HydrophobicContact CD1-CD1 4.07Å; Y413-L564 HydrophobicContact CE1-CD1 3.51Å; Y413-V588 HydrophobicContact CD2-CG1 4.33Å; Y413-V588 HydrophobicContact CD2-CG2 4.1Å; Y413-V588 HydrophobicContact CE2-CG1 4.31Å; Y413-W590 AromaticContact CD2-CH2 3.6Å; Y413-W590 HydrophobicContact CD2-CH2 3.6Å; Y413-W590 AromaticContact CD2-CZ3 3.74Å; Y413-W590 HydrophobicContact CD2-CZ3 3.74Å; Y413-W590 HydrophobicContact CE2-CE3 4.31Å; Y413-W590 AromaticContact CE2-CH2 3.89Å; Y413-W590 HydrophobicContact CE2-CH2 3.89Å; Y413-W590 AromaticContact CE2-CZ3 3.5Å; Y413-W590 HydrophobicContact CE2-CZ3 3.5Å; Y413-W590 VanDerWaalsContact CE2-CZ3 3.5Å; Y413-D601 HydrophobicContact CE2-CB 4.32Å; Y413-D601 PolarHBondContact OH-OD2 3.37Å; Y413-I603 HydrophobicContact CD2-CD1 4.41Å; Y413-I603 HydrophobicContact CG-CD1 4.39Å; Y413-L621 HydrophobicContact CD1-CD2 4.28Å; Y413-L621 HydrophobicContact CD2-CD2 4.14Å; Y413-L621 HydrophobicContact CE1-CD2 3.88Å; Y413-L621 HydrophobicContact CE2-CB 4.2Å; Y413-L621 HydrophobicContact CE2-CD2 3.74Å; Y413-L621 HydrophobicContact CG-CD2 4.41Å; Y413-L621 WeakPolarHBondContact OH-CB 3.46Å
414	A	97.5	Very high	84.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.4	168.4	0	0	0	0	0	109.7	M416 C429 F431	A414-M416 HydrophobicContact CB-CG 3.92Å; A414-M416 HydrophobicContact CB-SD 4.25Å; A414-C429 PolarHBondContact N-O 3.06Å; A414-C429 PolarHBondContact O-N 2.81Å; A414-F431 HydrophobicContact CB-CD2 4.33Å; A414-F431 HydrophobicContact CB-CE2 3.99Å
415	L	95.3	Very high	84.2	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	110.3	169.9	-179.9	62.7	0	0	0	108	A395 I396 A397 F567 P583 F586 I605	A395-L415 WeakPolarHBondContact CA-O 3.41Å; I396-L415 PolarHBondContact N-O 2.81Å; A397-L415 PolarHBondContact O-N 3.04Å; L415-F567 HydrophobicContact CD1-CE1 4.2Å; L415-F567 HydrophobicContact CD1-CZ 3.73Å; L415-P583 HydrophobicContact CD2-CB 3.67Å; L415-P583 HydrophobicContact CD2-CG 3.88Å; L415-F586 HydrophobicContact CB-CD1 3.89Å; L415-F586 HydrophobicContact CB-CE1 3.85Å; L415-I605 HydrophobicContact CD2-CD1 4.34Å; L415-I605 HydrophobicContact CD2-CG2 4.25Å
416	M	94	Very high	84.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.4	-170.9	-54.2	-174.6	81.7	0	0	111.6	T309 L343 C345 F392 R394 A395 A414 Y426 A427 C429 F431	T309-M416 HydrophobicContact CG2-CE 4.33Å; T309-M416 WeakPolarHBondContact OG1-CE 3.49Å; L343-M416 HydrophobicContact CB-CE 4.48Å; C345-M416 HydrophobicContact CB-SD 3.6Å; F392-M416 HydrophobicContact CB-CB 3.78Å; F392-M416 WeakPolarHBondContact O-CE 3.28Å; R394-M416 CarbonylContact O-C 3.59Å; R394-M416 VanDerWaalsContact O-CA 3.28Å; R394-M416 WeakPolarHBondContact O-CA 3.3Å; A395-M416 HydrophobicContact CB-CG 4.27Å; A414-M416 HydrophobicContact CB-CG 3.92Å; A414-M416 HydrophobicContact CB-SD 4.25Å; M416-Y426 CarbonylContact O-C 3.53Å; M416-Y426 VanDerWaalsContact O-CA 3.3Å; M416-Y426 WeakPolarHBondContact O-CA 3.3Å; M416-A427 PolarHBondContact N-O 2.77Å; M416-A427 PolarHBondContact O-N 2.83Å; M416-C429 HydrophobicContact SD-CB 4.13Å; M416-F431 HydrophobicContact SD-CE2 4.18Å; M416-F431 HydrophobicContact SD-CZ 4.2Å
417	T	92	Very high	85	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	166.2	177.5	-170.3	0	0	0	0	110.2	F392 N393 R394 I396 L425	F392-T417 CarbonylContact C-O 3.53Å; F392-T417 WeakPolarHBondContact CA-O 3.42Å; N393-T417 PolarHBondContact N-O 3.31Å; N393-T417 VanDerWaalsContact N-O 3.13Å; R394-T417 HydrophobicContact CB-CG2 4.13Å; R394-T417 HydrophobicContact CG-CG2 4.46Å; R394-T417 PolarHBondContact N-O 2.97Å; R394-T417 VanDerWaalsContact N-O 3.09Å; R394-T417 PolarHBondContact O-N 3.4Å; I396-T417 HydrophobicContact CD1-CG2 3.88Å; I396-T417 HydrophobicContact CG1-CG2 3.89Å; T417-L425 PolarHBondContact OG1-O 2.79Å
418	T	85.5	Confident	85.4	Confident	8 Å²	8	30.2 Å²	30.2	5%	0.049	18%	0.176	C	C	.	.			trans	-70.1	177.8	175	62.8	0	0	0	0	110.8	L390 F392 D420 S423 L425	L390-T418 HydrophobicContact CD1-CG2 4.03Å; L390-T418 HydrophobicContact CD2-CG2 3.96Å; L390-T418 HydrophobicContact CG-CG2 4.04Å; F392-T418 HydrophobicContact CD1-CG2 4.16Å; F392-T418 HydrophobicContact CE1-CG2 4.1Å; T418-D420 PolarHBondContact O-N 2.87Å; T418-D420 PolarHBondContact OG1-O 2.87Å; T418-D420 VanDerWaalsContact OG1-O 3.1Å; T418-D420 PolarHBondContact OG1-OD1 3Å; T418-S423 WeakPolarHBondContact OG1-CB 3.15Å; T418-S423 PolarHBondContact OG1-OG 3.44Å; T418-L425 HydrophobicContact CG2-CB 4.35Å
419	I	70.1	Confident	85.9	Confident	85 Å²	85	25.9 Å²	25.9	44%	0.436	15%	0.149	S	C	.	.	S	Bend	trans	-57.1	-35.1	-177.4	-63.3	163.6	0	0	0	111.3	N393	N393-I419 HydrophobicContact CB-CG1 4.44Å
420	D	62.1	Low	86.1	Confident	74 Å²	74	25.6 Å²	25.6	40%	0.396	15%	0.148	S	C	.	.			trans	-106.1	116.2	175.1	60.9	-25	0	0	0	110.6	T418 I422 S423	T418-D420 PolarHBondContact O-N 2.87Å; T418-D420 PolarHBondContact OG1-O 2.87Å; T418-D420 VanDerWaalsContact OG1-O 3.1Å; T418-D420 PolarHBondContact OG1-OD1 3Å; D420-I422 HydrophobicContact CB-CB 4.07Å; D420-I422 HydrophobicContact CB-CD1 4.44Å; D420-I422 HydrophobicContact CB-CG1 4.27Å; D420-I422 PolarHBondContact O-N 2.93Å; D420-S423 PolarHBondContact O-N 3.16Å; D420-S423 PolarHBondContact O-OG 2.91Å
421	S	60.5	Low	86.2	Confident	75 Å²	75	24.6 Å²	24.6	52%	0.524	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-56.9	-12.1	165.6	50	0	0	0	0	112.8	S423 G424	S421-S423 VanDerWaalsContact C-N 3.32Å; S421-G424 PolarHBondContact O-N 2.82Å
422	I	62.7	Low	86.1	Confident	150 Å²	150	24.6 Å²	24.6	77%	0.769	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-65.3	-32.8	176	-54	173.4	0	0	0	111.7	D420 G424	D420-I422 HydrophobicContact CB-CB 4.07Å; D420-I422 HydrophobicContact CB-CD1 4.44Å; D420-I422 HydrophobicContact CB-CG1 4.27Å; D420-I422 PolarHBondContact O-N 2.93Å; I422-G424 PolarHBondContact O-N 3.2Å; I422-G424 VanDerWaalsContact O-N 3.16Å
423	S	69.8	Low	86	Confident	42 Å²	42	24.7 Å²	24.7	29%	0.294	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-61.1	-26	179	74.4	0	0	0	0	112.1	T418 D420 S421 L425	T418-S423 WeakPolarHBondContact OG1-CB 3.15Å; T418-S423 PolarHBondContact OG1-OG 3.44Å; D420-S423 PolarHBondContact O-N 3.16Å; D420-S423 PolarHBondContact O-OG 2.91Å; S421-S423 VanDerWaalsContact C-N 3.32Å; S423-L425 PolarHBondContact O-N 3.35Å; S423-L425 PolarHBondContact OG-N 2.94Å; S423-L425 VanDerWaalsContact OG-N 3.14Å
424	G	79.1	Confident	85.7	Confident	22 Å²	22	27.1 Å²	27.1	23%	0.227	16%	0.157	C	C	.	.			trans	63.5	15.1	-174	0	0	0	0	0	113.4	S421 I422 Y426 T568	S421-G424 PolarHBondContact O-N 2.82Å; I422-G424 PolarHBondContact O-N 3.2Å; I422-G424 VanDerWaalsContact O-N 3.16Å; G424-Y426 WeakPolarHBondContact O-CD2 3.25Å; G424-Y426 WeakPolarHBondContact O-CE2 3.45Å; G424-T568 WeakPolarHBondContact O-CA 3.18Å; G424-T568 WeakPolarHBondContact O-CB 3.35Å
425	L	86.6	Confident	85.3	Confident	50 Å²	50	27.7 Å²	27.7	26%	0.262	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.5	178	-70.1	164.2	0	0	0	110.4	L390 F392 T417 T418 S423 V566 T568	L390-L425 HydrophobicContact CD2-CD1 3.72Å; F392-L425 HydrophobicContact CE1-CB 4.1Å; T417-L425 PolarHBondContact OG1-O 2.79Å; T418-L425 HydrophobicContact CG2-CB 4.35Å; S423-L425 PolarHBondContact O-N 3.35Å; S423-L425 PolarHBondContact OG-N 2.94Å; S423-L425 VanDerWaalsContact OG-N 3.14Å; L425-V566 HydrophobicContact CD2-CG1 4.38Å; L425-T568 HydrophobicContact CD2-CG2 3.57Å; L425-T568 HydrophobicContact CG-CG2 4.29Å
426	Y	91.3	Very high	85.3	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.8	179	-52.4	-75.9	0	0	0	110.3	I396 M416 G424 V566 F567 M569 P583	I396-Y426 HydrophobicContact CD1-CD1 3.61Å; I396-Y426 HydrophobicContact CD1-CE1 3.47Å; I396-Y426 VanDerWaalsContact CD1-CE1 3.47Å; M416-Y426 CarbonylContact O-C 3.53Å; M416-Y426 VanDerWaalsContact O-CA 3.3Å; M416-Y426 WeakPolarHBondContact O-CA 3.3Å; G424-Y426 WeakPolarHBondContact O-CD2 3.25Å; G424-Y426 WeakPolarHBondContact O-CE2 3.45Å; Y426-V566 WeakPolarHBondContact O-CA 3.06Å; Y426-F567 HydrophobicContact CD2-CE2 4.31Å; Y426-F567 HydrophobicContact CG-CE2 4.42Å; Y426-F567 PolarHBondContact N-O 2.78Å; Y426-F567 PolarHBondContact O-N 3.43Å; Y426-F567 VanDerWaalsContact O-O 3.13Å; Y426-M569 HydrophobicContact CD2-CE 4.15Å; Y426-M569 HydrophobicContact CD2-CG 4.32Å; Y426-M569 HydrophobicContact CE2-CE 4.17Å; Y426-M569 HydrophobicContact CE2-CG 3.78Å; Y426-P583 HydrophobicContact CD1-CG 3.69Å; Y426-P583 HydrophobicContact CE1-CG 3.5Å; Y426-P583 VanDerWaalsContact CE1-CG 3.5Å; Y426-P583 HydrophobicContact CE2-CG 4.38Å; Y426-P583 HydrophobicContact CG-CG 4.22Å; Y426-P583 VanDerWaalsContact OH-CD 3.29Å; Y426-P583 WeakPolarHBondContact OH-CD 3.46Å
427	A	92.4	Very high	85.3	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.3	176.1	0	0	0	0	0	110.3	F392 M416 A563 K565 V566	F392-A427 HydrophobicContact CB-CB 4.06Å; F392-A427 HydrophobicContact CD1-CB 3.42Å; F392-A427 VanDerWaalsContact CD1-CB 3.42Å; F392-A427 HydrophobicContact CD2-CB 3.54Å; F392-A427 HydrophobicContact CE1-CB 3.65Å; F392-A427 HydrophobicContact CE2-CB 3.77Å; F392-A427 HydrophobicContact CG-CB 3.37Å; F392-A427 HydrophobicContact CZ-CB 3.83Å; M416-A427 PolarHBondContact N-O 2.77Å; M416-A427 PolarHBondContact O-N 2.83Å; A427-A563 HydrophobicContact CB-CB 3.81Å; A427-K565 CarbonylContact C-O 3.43Å; A427-K565 VanDerWaalsContact CA-O 3.25Å; A427-K565 WeakPolarHBondContact CA-O 3.44Å; A427-V566 HydrophobicContact CB-CG2 4.11Å
428	L	93.8	Very high	85.1	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.6	164.6	-173.5	75	0	0	0	109	Y413 L564 K565 I603 T617 F655	Y413-L428 HydrophobicContact CD1-CD1 4.15Å; Y413-L428 HydrophobicContact CD1-CD2 4.08Å; Y413-L428 HydrophobicContact CD1-CG 4.06Å; Y413-L428 HydrophobicContact CE1-CD2 4.2Å; Y413-L428 HydrophobicContact CG-CD1 4.4Å; L428-L564 HydrophobicContact CD2-CD1 4.43Å; L428-L564 WeakPolarHBondContact O-CB 3.41Å; L428-L564 PolarHBondContact O-N 3.31Å; L428-K565 PolarHBondContact N-O 3.22Å; L428-I603 HydrophobicContact CD1-CD1 3.72Å; L428-I603 HydrophobicContact CD2-CD1 3.38Å; L428-I603 HydrophobicContact CG-CD1 4.19Å; L428-T617 HydrophobicContact CD2-CG2 4.35Å; L428-F655 HydrophobicContact CD2-CE2 3.4Å; L428-F655 VanDerWaalsContact CD2-CE2 3.4Å; L428-F655 HydrophobicContact CD2-CZ 3.84Å
429	C	95.9	Very high	85.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.4	-176.8	-43.5	0	0	0	0	108.5	C345 Y413 A414 M416 F431 A536	C345-C429 HydrophobicContact CB-CB 3.78Å; C345-C429 WeakPolarHBondContact CB-SG 3.28Å; C345-C429 WeakPolarHBondContact SG-CB 3.34Å; C345-C429 CovalentContact SG-SG 2.01Å; C345-C429 PolarHBondContact SG-SG 2.87Å; Y413-C429 CarbonylContact C-O 3.46Å; Y413-C429 WeakPolarHBondContact CA-O 3.02Å; A414-C429 PolarHBondContact N-O 3.06Å; A414-C429 PolarHBondContact O-N 2.81Å; M416-C429 HydrophobicContact SD-CB 4.13Å; C429-F431 HydrophobicContact CB-CE2 3.7Å; C429-F431 HydrophobicContact CB-CZ 4.11Å; C429-A536 HydrophobicContact CB-CB 4.07Å
430	A	95.8	Very high	86.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.7	173.8	0	0	0	0	0	110.1	F412 Y413 A536 L537 L564 L621 I647	F412-A430 WeakPolarHBondContact O-CA 3.41Å; Y413-A430 HydrophobicContact CD1-CB 3.9Å; Y413-A430 HydrophobicContact CE1-CB 3.91Å; A430-A536 CarbonylContact O-C 3.54Å; A430-A536 WeakPolarHBondContact O-CA 3.32Å; A430-L537 HydrophobicContact CB-CB 4.36Å; A430-L537 HydrophobicContact CB-CD1 4.21Å; A430-L537 PolarHBondContact O-N 3.37Å; A430-L564 HydrophobicContact CB-CD1 3.69Å; A430-L564 HydrophobicContact CB-CG 4.44Å; A430-L621 HydrophobicContact CB-CD1 4.05Å; A430-L621 HydrophobicContact CB-CD2 3.83Å; A430-I647 HydrophobicContact CB-CD1 3.92Å
431	F	95.5	Very high	87.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.1	179.2	-61.7	-87.1	0	0	0	109.5	L343 V411 F412 A414 M416 C429 V534 A536	L343-F431 HydrophobicContact CB-CE1 4.04Å; L343-F431 HydrophobicContact CB-CZ 3.89Å; L343-F431 HydrophobicContact CD1-CD2 4.46Å; L343-F431 HydrophobicContact CD1-CE2 4.31Å; L343-F431 HydrophobicContact CD1-CZ 4.43Å; L343-F431 HydrophobicContact CD2-CD1 4Å; L343-F431 HydrophobicContact CD2-CE1 4.02Å; L343-F431 HydrophobicContact CD2-CG 4.45Å; L343-F431 HydrophobicContact CG-CE1 4.47Å; V411-F431 WeakPolarHBondContact CA-O 3.26Å; F412-F431 HydrophobicContact CD1-CB 4.27Å; F412-F431 HydrophobicContact CD2-CB 4.35Å; F412-F431 HydrophobicContact CD2-CD2 4.34Å; F412-F431 HydrophobicContact CE1-CB 3.67Å; F412-F431 HydrophobicContact CE2-CB 3.78Å; F412-F431 AromaticContact CE2-CD2 3.69Å; F412-F431 HydrophobicContact CE2-CD2 3.69Å; F412-F431 HydrophobicContact CE2-CG 4.02Å; F412-F431 HydrophobicContact CZ-CB 3.4Å; F412-F431 VanDerWaalsContact CZ-CB 3.4Å; F412-F431 HydrophobicContact CZ-CD2 4.1Å; F412-F431 AromaticContact CZ-CG 3.94Å; F412-F431 HydrophobicContact CZ-CG 3.94Å; F412-F431 PolarHBondContact N-O 2.82Å; F412-F431 PolarHBondContact O-N 2.85Å; A414-F431 HydrophobicContact CB-CD2 4.33Å; A414-F431 HydrophobicContact CB-CE2 3.99Å; M416-F431 HydrophobicContact SD-CE2 4.18Å; M416-F431 HydrophobicContact SD-CZ 4.2Å; C429-F431 HydrophobicContact CB-CE2 3.7Å; C429-F431 HydrophobicContact CB-CZ 4.11Å; F431-V534 HydrophobicContact CD1-CG1 4.03Å; F431-A536 HydrophobicContact CD1-CB 4.48Å; F431-A536 VanDerWaalsContact CE1-CA 3.49Å; F431-A536 HydrophobicContact CE1-CB 3.86Å; F431-A536 HydrophobicContact CZ-CB 3.88Å
432	N	93.9	Very high	88.8	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.4	171.9	71	-41.4	0	0	0	111.3	D409 H410 V411 S435 V436 L537 I625 Y645	D409-N432 WeakPolarHBondContact OD2-CB 3.47Å; D409-N432 PolarHBondContact OD2-ND2 2.93Å; H410-N432 CarbonylContact O-C 3.47Å; H410-N432 VanDerWaalsContact O-CA 3.25Å; H410-N432 WeakPolarHBondContact O-CA 3.48Å; V411-N432 HydrophobicContact CG1-CB 3.86Å; N432-S435 PolarHBondContact O-N 3.06Å; N432-S435 WeakPolarHBondContact OD1-CB 3.39Å; N432-S435 PolarHBondContact OD1-OG 3.06Å; N432-V436 WeakPolarHBondContact O-CG2 3.21Å; N432-V436 PolarHBondContact O-N 2.61Å; N432-L537 HydrophobicContact CB-CD1 4.32Å; N432-I625 HydrophobicContact CB-CD1 4.47Å; N432-Y645 VanDerWaalsContact ND2-CD1 3.32Å; N432-Y645 WeakPolarHBondContact ND2-CD1 3.5Å; N432-Y645 WeakPolarHBondContact ND2-CD2 3.19Å; N432-Y645 VanDerWaalsContact ND2-CG 3.27Å
433	L	94.4	Very high	89.7	Confident	3 Å²	3	18 Å²	18	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-72	-28.6	-176.2	-75.3	-165.6	0	0	0	113	V276 Y282 I311 I401 D409 H410 F412 S435 V436 D437	V276-L433 HydrophobicContact CB-CD1 4.38Å; V276-L433 HydrophobicContact CG1-CD1 3.93Å; V276-L433 HydrophobicContact CG2-CD1 4Å; Y282-L433 HydrophobicContact CD1-CD2 3.93Å; Y282-L433 HydrophobicContact CD2-CD1 3.9Å; Y282-L433 HydrophobicContact CE1-CD1 4.38Å; Y282-L433 HydrophobicContact CE1-CD2 3.94Å; Y282-L433 HydrophobicContact CE2-CD1 3.58Å; Y282-L433 HydrophobicContact CG-CD1 4.42Å; Y282-L433 HydrophobicContact CG-CD2 4.22Å; I311-L433 HydrophobicContact CD1-CD2 4.31Å; I401-L433 HydrophobicContact CD1-CD2 4.34Å; I401-L433 HydrophobicContact CG2-CD1 3.86Å; I401-L433 HydrophobicContact CG2-CG 4.08Å; D409-L433 PolarHBondContact OD1-N 3.29Å; H410-L433 HydrophobicContact CB-CB 4.31Å; H410-L433 HydrophobicContact CB-CD1 3.76Å; H410-L433 HydrophobicContact CB-CG 3.92Å; H410-L433 PolarHBondContact O-N 3.35Å; F412-L433 HydrophobicContact CE1-CD2 4.14Å; L433-S435 VanDerWaalsContact C-N 3.35Å; L433-S435 PolarHBondContact O-N 3.28Å; L433-V436 HydrophobicContact CD2-CB 4.34Å; L433-V436 HydrophobicContact CD2-CG2 4.29Å; L433-V436 CarbonylContact O-C 3.27Å; L433-V436 WeakPolarHBondContact O-CB 3.26Å; L433-V436 PolarHBondContact O-N 3.36Å; L433-V436 VanDerWaalsContact O-N 3.13Å; L433-D437 WeakPolarHBondContact O-CB 3.26Å; L433-D437 PolarHBondContact O-N 2.75Å
434	N	91.7	Very high	90.2	Very high	50 Å²	50	19 Å²	19	27%	0.267	11%	0.105	S	C	.	.	H	α-helix	trans	-60.5	-43.8	174.8	-74.6	-27.1	0	0	0	112.2	D409 V436 D437 E438 Y645	D409-N434 WeakPolarHBondContact CB-ND2 3.28Å; D409-N434 PolarHBondContact OD1-N 2.96Å; D409-N434 VanDerWaalsContact OD2-CB 3.29Å; D409-N434 WeakPolarHBondContact OD2-CB 3.13Å; D409-N434 VanDerWaalsContact OD2-CG 3.29Å; D409-N434 PolarHBondContact OD2-ND2 2.6Å; N434-V436 VanDerWaalsContact C-N 3.3Å; N434-V436 PolarHBondContact O-N 2.82Å; N434-D437 PolarHBondContact O-N 2.79Å; N434-E438 VanDerWaalsContact O-CG 3.3Å; N434-E438 WeakPolarHBondContact O-CG 3.4Å; N434-E438 PolarHBondContact O-N 3.27Å; N434-Y645 HydrophobicContact CB-CE1 4.22Å; N434-Y645 HydrophobicContact CB-CE2 4.17Å; N434-Y645 VanDerWaalsContact CB-OH 3.26Å; N434-Y645 WeakPolarHBondContact CB-OH 3.09Å
435	S	89.8	Confident	90.5	Very high	13 Å²	13	18 Å²	18	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-38.7	174	-61.4	0	0	0	0	112.1	N432 L433 N439 Y645	N432-S435 PolarHBondContact O-N 3.06Å; N432-S435 WeakPolarHBondContact OD1-CB 3.39Å; N432-S435 PolarHBondContact OD1-OG 3.06Å; L433-S435 VanDerWaalsContact C-N 3.35Å; L433-S435 PolarHBondContact O-N 3.28Å; S435-N439 PolarHBondContact O-N 3.22Å; S435-N439 VanDerWaalsContact O-N 3.16Å; S435-N439 PolarHBondContact O-ND2 3.01Å; S435-Y645 WeakPolarHBondContact OG-CD2 3.18Å; S435-Y645 WeakPolarHBondContact OG-CE2 3.02Å
436	V	93.6	Very high	90.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-47.9	175.3	173	0	0	0	0	110.1	Y282 I311 N432 L433 N434 N439 L440 V534	Y282-V436 HydrophobicContact CD1-CG1 4.46Å; Y282-V436 HydrophobicContact CE1-CG1 4.19Å; I311-V436 HydrophobicContact CD1-CG1 3.93Å; I311-V436 HydrophobicContact CD1-CG2 4.01Å; I311-V436 HydrophobicContact CG1-CG1 4.2Å; I311-V436 HydrophobicContact CG2-CG1 3.85Å; I311-V436 HydrophobicContact CG2-CG2 4.29Å; N432-V436 WeakPolarHBondContact O-CG2 3.21Å; N432-V436 PolarHBondContact O-N 2.61Å; L433-V436 HydrophobicContact CD2-CB 4.34Å; L433-V436 HydrophobicContact CD2-CG2 4.29Å; L433-V436 CarbonylContact O-C 3.27Å; L433-V436 WeakPolarHBondContact O-CB 3.26Å; L433-V436 PolarHBondContact O-N 3.36Å; L433-V436 VanDerWaalsContact O-N 3.13Å; N434-V436 VanDerWaalsContact C-N 3.3Å; N434-V436 PolarHBondContact O-N 2.82Å; V436-N439 PolarHBondContact O-N 3.17Å; V436-L440 HydrophobicContact CG1-CD1 3.59Å; V436-L440 HydrophobicContact CG1-CG 4.21Å; V436-L440 WeakPolarHBondContact O-CB 3.2Å; V436-L440 VanDerWaalsContact O-CG 3.28Å; V436-L440 WeakPolarHBondContact O-CG 3.11Å; V436-L440 PolarHBondContact O-N 3.39Å; V436-V534 HydrophobicContact CB-CG2 4.39Å; V436-V534 HydrophobicContact CG2-CG1 3.92Å; V436-V534 HydrophobicContact CG2-CG2 4.11Å
437	D	93.9	Very high	89.7	Confident	29 Å²	29	19.7 Å²	19.7	16%	0.155	10%	0.099	C	C	.	.	H	α-helix	trans	-65.4	-42.7	-178.2	-81.6	-16	0	0	0	112.3	Y282 R313 L433 N434 N439 L440 N441	Y282-D437 VanDerWaalsContact OH-CG 3.29Å; Y282-D437 PolarHBondContact OH-OD1 2.91Å; Y282-D437 PolarHBondContact OH-OD2 2.84Å; R313-D437 VanDerWaalsContact CD-OD1 3.27Å; R313-D437 WeakPolarHBondContact CD-OD1 3.15Å; R313-D437 IonicContact CZ-OD1 2.65Å; R313-D437 IonicContact NE-OD1 3.87Å; R313-D437 VanDerWaalsContact NH1-CG 3.3Å; R313-D437 IonicContact NH1-OD1 3.81Å; R313-D437 PolarHBondContact NH1-OD1 3.29Å; L433-D437 WeakPolarHBondContact O-CB 3.26Å; L433-D437 PolarHBondContact O-N 2.75Å; N434-D437 PolarHBondContact O-N 2.79Å; D437-N439 VanDerWaalsContact C-N 3.33Å; D437-N439 PolarHBondContact O-N 3.2Å; D437-L440 PolarHBondContact O-N 3.21Å; D437-N441 WeakPolarHBondContact O-CB 3.34Å; D437-N441 PolarHBondContact O-N 3.13Å; D437-N441 PolarHBondContact O-ND2 2.9Å
438	E	89	Confident	88.6	Confident	51 Å²	51	22 Å²	22	24%	0.238	11%	0.112	C	C	.	.	H	α-helix	trans	-56.7	-47.6	173.9	-74.5	171.6	-157.6	0	0	111.8	N434 N441 T442 I643 Y645	N434-E438 VanDerWaalsContact O-CG 3.3Å; N434-E438 WeakPolarHBondContact O-CG 3.4Å; N434-E438 PolarHBondContact O-N 3.27Å; E438-N441 PolarHBondContact O-N 3.31Å; E438-T442 PolarHBondContact O-N 3.11Å; E438-T442 PolarHBondContact O-OG1 2.98Å; E438-I643 WeakPolarHBondContact OE1-CB 3.18Å; E438-I643 WeakPolarHBondContact OE1-CD1 3.49Å; E438-I643 WeakPolarHBondContact OE1-CG2 3.09Å; E438-I643 WeakPolarHBondContact OE2-CB 3.18Å; E438-Y645 PolarHBondContact OE1-OH 3.13Å
439	N	88.2	Confident	87.2	Confident	16 Å²	16	27 Å²	27	9%	0.086	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-48	177.4	-82.4	-81.3	0	0	0	111.5	S435 V436 D437 N441 T442 T532 S533 V534	S435-N439 PolarHBondContact O-N 3.22Å; S435-N439 VanDerWaalsContact O-N 3.16Å; S435-N439 PolarHBondContact O-ND2 3.01Å; V436-N439 PolarHBondContact O-N 3.17Å; D437-N439 VanDerWaalsContact C-N 3.33Å; D437-N439 PolarHBondContact O-N 3.2Å; N439-N441 PolarHBondContact O-N 3.48Å; N439-T442 VanDerWaalsContact O-CB 3.31Å; N439-T442 WeakPolarHBondContact O-CB 3.24Å; N439-T442 PolarHBondContact O-N 3.33Å; N439-T442 VanDerWaalsContact O-N 3.1Å; N439-T442 PolarHBondContact O-OG1 2.88Å; N439-T532 PolarHBondContact O-OG1 3.35Å; N439-T532 WeakPolarHBondContact OD1-CB 3.3Å; N439-T532 PolarHBondContact OD1-OG1 2.81Å; N439-S533 PolarHBondContact OD1-O 3.22Å; N439-S533 VanDerWaalsContact OD1-O 3.09Å; N439-V534 HydrophobicContact CB-CG2 3.81Å
440	L	92.9	Very high	85.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-17.5	179.4	-70.3	178	0	0	0	114	R313 R339 T341 V436 D437 M505 V530	R313-L440 HydrophobicContact CB-CD1 3.46Å; R313-L440 VanDerWaalsContact CB-CD1 3.46Å; R339-L440 HydrophobicContact CB-CD2 3.95Å; T341-L440 HydrophobicContact CG2-CD2 3.62Å; T341-L440 HydrophobicContact CG2-CG 3.95Å; V436-L440 HydrophobicContact CG1-CD1 3.59Å; V436-L440 HydrophobicContact CG1-CG 4.21Å; V436-L440 WeakPolarHBondContact O-CB 3.2Å; V436-L440 VanDerWaalsContact O-CG 3.28Å; V436-L440 WeakPolarHBondContact O-CG 3.11Å; V436-L440 PolarHBondContact O-N 3.39Å; D437-L440 PolarHBondContact O-N 3.21Å; L440-M505 WeakPolarHBondContact O-CE 3.45Å; L440-V530 HydrophobicContact CD2-CG2 4.39Å
441	N	90.8	Very high	83.4	Confident	42 Å²	42	32.5 Å²	32.5	23%	0.225	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4	175.5	-68.9	-27	0	0	0	112.9	R313 D437 E438 N439 M505 K509	R313-N441 PolarHBondContact NH1-OD1 3.47Å; R313-N441 PolarHBondContact NH2-OD1 3.38Å; D437-N441 WeakPolarHBondContact O-CB 3.34Å; D437-N441 PolarHBondContact O-N 3.13Å; D437-N441 PolarHBondContact O-ND2 2.9Å; E438-N441 PolarHBondContact O-N 3.31Å; N439-N441 PolarHBondContact O-N 3.48Å; N441-M505 VanDerWaalsContact C-CE 3.49Å; N441-K509 HydrophobicContact CB-CD 4.42Å; N441-K509 WeakPolarHBondContact OD1-CB 3.49Å
442	T	83	Confident	81.2	Confident	22 Å²	22	38 Å²	38	14%	0.135	19%	0.191	C	C	.	.	S	Bend	trans	-76.7	130.2	-177.8	-55.5	0	0	0	0	110.8	E438 N439 H444 M505 T532 L640	E438-T442 PolarHBondContact O-N 3.11Å; E438-T442 PolarHBondContact O-OG1 2.98Å; N439-T442 VanDerWaalsContact O-CB 3.31Å; N439-T442 WeakPolarHBondContact O-CB 3.24Å; N439-T442 PolarHBondContact O-N 3.33Å; N439-T442 VanDerWaalsContact O-N 3.1Å; N439-T442 PolarHBondContact O-OG1 2.88Å; T442-H444 HydrophobicContact CG2-CB 4.4Å; T442-H444 VanDerWaalsContact CG2-ND1 3.34Å; T442-H444 WeakPolarHBondContact CG2-ND1 3.3Å; T442-H444 PolarHBondContact O-N 3.45Å; T442-M505 WeakPolarHBondContact O-CE 3.37Å; T442-T532 HydrophobicContact CG2-CG2 3.88Å; T442-L640 HydrophobicContact CG2-CD2 3.83Å
443	D	81.6	Confident	78.9	Confident	31 Å²	31	45 Å²	45	17%	0.166	23%	0.228	C	C	.	.	S	Bend	trans	-75.7	61.6	-177.8	-169.6	19	0	0	0	112.9	T501 M505	D443-T501 WeakPolarHBondContact OD1-CB 3.47Å; D443-T501 PolarHBondContact OD1-OG1 3.46Å; D443-T501 PolarHBondContact OD2-OG1 3.35Å; D443-T501 VanDerWaalsContact OD2-OG1 3.05Å; D443-M505 HydrophobicContact CB-CG 4.36Å
444	H	81.5	Confident	76.4	Confident	63 Å²	63	47.2 Å²	47.2	29%	0.292	25%	0.248	S	C	.	.			trans	-134.6	60.4	-177.6	-71.8	57.1	0	0	0	109.9	T442 V494 G531	T442-H444 HydrophobicContact CG2-CB 4.4Å; T442-H444 VanDerWaalsContact CG2-ND1 3.34Å; T442-H444 WeakPolarHBondContact CG2-ND1 3.3Å; T442-H444 PolarHBondContact O-N 3.45Å; H444-V494 HydrophobicContact CB-CG1 4.21Å; H444-G531 PolarHBondContact O-N 3.16Å
445	L	85.5	Confident	74	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-66.8	145.4	176.3	-64.7	178.2	0	0	0	110.7	V495 T501 I504 M505 F523 V530	L445-V495 HydrophobicContact CB-CB 4.22Å; L445-V495 HydrophobicContact CB-CG2 4.13Å; L445-V495 WeakPolarHBondContact O-CB 3.39Å; L445-V495 WeakPolarHBondContact O-CG2 3.44Å; L445-V495 PolarHBondContact O-N 2.9Å; L445-T501 HydrophobicContact CD1-CG2 4.33Å; L445-I504 HydrophobicContact CD1-CG2 4.03Å; L445-M505 HydrophobicContact CD1-SD 4.45Å; L445-M505 HydrophobicContact CD2-SD 3.72Å; L445-M505 HydrophobicContact CG-SD 4.12Å; L445-F523 HydrophobicContact CD1-CE1 3.97Å; L445-V530 HydrophobicContact CD2-CG2 4.46Å
446	I	82.1	Confident	71.6	Confident	10 Å²	10	61 Å²	61	5%	0.051	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.4	-177.5	-66.7	-62.3	0	0	0	111	L262 V492 V494 H527 L529	L262-I446 HydrophobicContact CD2-CG2 4.3Å; I446-V492 HydrophobicContact CB-CG1 4.49Å; I446-V492 HydrophobicContact CD1-CG1 4.17Å; I446-V492 HydrophobicContact CG2-CG1 3.22Å; I446-V494 HydrophobicContact CD1-CG2 3.87Å; I446-H527 PolarHBondContact O-CD2 3.23Å; I446-L529 HydrophobicContact CB-CB 4.23Å; I446-L529 HydrophobicContact CB-CD2 4.09Å; I446-L529 HydrophobicContact CB-CG 4.03Å; I446-L529 HydrophobicContact CG1-CD2 4.37Å; I446-L529 HydrophobicContact CG1-CG 4.14Å; I446-L529 HydrophobicContact CG2-CD2 3.91Å; I446-L529 HydrophobicContact CG2-CG 4.41Å; I446-L529 PolarHBondContact N-O 3.06Å
447	K	78.9	Confident	69	Low	79 Å²	79	65 Å²	65	34%	0.343	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.7	170.3	64.3	178	177.7	-177.2	0	111.5	D493 V495	K447-D493 HydrophobicContact CG-CB 3.98Å; K447-D493 WeakPolarHBondContact CG-O 3.2Å; K447-D493 PolarHBondContact N-O 2.83Å; K447-D493 PolarHBondContact O-N 3.28Å; K447-V495 HydrophobicContact CB-CG2 3.97Å; K447-V495 HydrophobicContact CD-CG2 4.15Å; K447-V495 HydrophobicContact CG-CG2 4.03Å
448	L	69	Low	66.2	Low	50 Å²	50	69.8 Å²	69.8	26%	0.262	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.3	169.6	-65.8	172.4	0	0	0	109.1	K261 L262 W490 V492	K261-L448 HydrophobicContact CB-CD1 4.41Å; L262-L448 HydrophobicContact CD1-CG 4.46Å; L262-L448 HydrophobicContact CD2-CD1 4.22Å; L262-L448 HydrophobicContact CD2-CD2 4.42Å; L262-L448 HydrophobicContact CD2-CG 3.86Å; L262-L448 HydrophobicContact CG-CD1 4.03Å; L262-L448 HydrophobicContact CG-CG 4.07Å; L448-W490 HydrophobicContact CB-CE3 4.03Å; L448-W490 HydrophobicContact CB-CZ3 4.32Å; L448-V492 HydrophobicContact CD2-CG2 4.14Å
449	K	64.8	Low	63.6	Low	107 Å²	107	73 Å²	73	47%	0.465	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.5	172.9	-176.5	173.5	178.8	-178.4	0	109.4	W490 T491 D493	K449-W490 CarbonylContact O-C 3.54Å; K449-W490 WeakPolarHBondContact O-CA 3.43Å; K449-T491 PolarHBondContact N-O 3.39Å; K449-T491 PolarHBondContact O-N 2.85Å; K449-D493 WeakPolarHBondContact CD-OD2 3.28Å
450	Q	57.1	Low	60.6	Low	89 Å²	89	82 Å²	82	42%	0.416	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125.4	168.4	-161.8	170.4	6.7	0	0	107.8	N452 S488 W490	Q450-N452 PolarHBondContact O-N 2.96Å; Q450-N452 PolarHBondContact O-OD1 2.67Å; Q450-S488 PolarHBondContact NE2-OG 2.9Å; Q450-W490 HydrophobicContact CB-CD2 4.34Å; Q450-W490 HydrophobicContact CB-CE3 3.96Å; Q450-W490 HydrophobicContact CB-CH2 3.89Å; Q450-W490 HydrophobicContact CB-CZ2 4.26Å; Q450-W490 HydrophobicContact CB-CZ3 3.73Å; Q450-W490 HydrophobicContact CG-CD2 4.4Å; Q450-W490 HydrophobicContact CG-CE3 4.5Å; Q450-W490 HydrophobicContact CG-CH2 4.21Å; Q450-W490 HydrophobicContact CG-CZ2 4.08Å; Q450-W490 HydrophobicContact CG-CZ3 4.42Å
451	S	53.8	Low	57.5	Low	27 Å²	27	86.9 Å²	86.9	19%	0.189	46%	0.457	C	S	.	.			trans	-67.8	117.1	174.5	-178.8	0	0	0	0	109.5	N453 K489	S451-N453 PolarHBondContact O-N 3.38Å; S451-N453 WeakPolarHBondContact OG-CB 3.13Å; S451-N453 PolarHBondContact OG-N 3.05Å; S451-K489 WeakPolarHBondContact CB-O 3.29Å; S451-K489 PolarHBondContact N-O 3.27Å
452	N	50.1	Low	54.6	Low	116 Å²	116	90.3 Å²	90.3	62%	0.62	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	7.1	174	-67.1	2.7	0	0	0	113.4	Q450 A454	Q450-N452 PolarHBondContact O-N 2.96Å; Q450-N452 PolarHBondContact O-OD1 2.67Å; N452-A454 CarbonylContact O-C 3.6Å; N452-A454 PolarHBondContact O-N 2.98Å
453	N	46.1	Very low	52.1	Low	146 Å²	146	97.9 Å²	97.9	78%	0.781	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-4.3	176.4	-69	-3.6	0	0	0	113	S451 Y455	S451-N453 PolarHBondContact O-N 3.38Å; S451-N453 WeakPolarHBondContact OG-CB 3.13Å; S451-N453 PolarHBondContact OG-N 3.05Å; N453-Y455 PolarHBondContact O-N 3.02Å
454	A	41.5	Very low	50	Low	51 Å²	51	106.4 Å²	106.4	42%	0.421	54%	0.535	S	S	.	.	S	Bend	trans	-79.2	92.8	157.6	0	0	0	0	0	108.6	N452 N456	N452-A454 CarbonylContact O-C 3.6Å; N452-A454 PolarHBondContact O-N 2.98Å; A454-N456 PolarHBondContact O-N 3.05Å
455	Y	40.8	Very low	48	Very low	212 Å²	212	108.7 Å²	108.7	83%	0.831	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	108.4	169.9	-120.5	-92.4	0	0	0	109.2	N453	N453-Y455 PolarHBondContact O-N 3.02Å
456	N	40.2	Very low	46.1	Very low	140 Å²	140	115.6 Å²	115.6	75%	0.749	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.7	79	171.1	-56.9	-12.8	0	0	0	116.4	A454 L458	A454-N456 PolarHBondContact O-N 3.05Å; N456-L458 PolarHBondContact O-N 3.32Å
457	G	38.5	Very low	44	Very low	83 Å²	83	121.2 Å²	121.2	86%	0.856	62%	0.616	S	S	*	*	S	Bend	trans	62.1	-10.6	133.8	0	0	0	0	0	120.8
458	L	33.9	Very low	42.2	Very low	130 Å²	130	124.8 Å²	124.8	68%	0.681	64%	0.639	S	S	*	*	S	Bend	trans	-133.7	115.9	173.3	-81.4	154.6	0	0	0	104	N456 R460	N456-L458 PolarHBondContact O-N 3.32Å; L458-R460 PolarHBondContact O-N 2.79Å
459	S	34.6	Very low	41	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	67%	0.666	S	S	*	*			trans	-57.6	76.7	165.6	47.6	0	0	0	0	108.6	M461	S459-M461 PolarHBondContact O-N 2.95Å
460	R	26.6	Very low	39.9	Very low	205 Å²	205	131.8 Å²	131.8	77%	0.774	68%	0.682	S	S	*	*			trans	-79.2	114.1	180	-157.1	-172.9	-74.4	-147.7	1.4	105.2	L458 V462	L458-R460 PolarHBondContact O-N 2.79Å; R460-V462 VanDerWaalsContact C-N 3.34Å; R460-V462 PolarHBondContact O-N 2.76Å
461	M	28.2	Very low	39.3	Very low	103 Å²	103	134.2 Å²	134.2	51%	0.507	70%	0.698	S	S	.	*			trans	-62.3	93.1	175.9	-162.9	125.5	139.5	0	0	108.2	S459 W463 Y483	S459-M461 PolarHBondContact O-N 2.95Å; M461-W463 HydrophobicContact CE-CH2 4.1Å; M461-W463 HydrophobicContact CE-CZ2 3.57Å; M461-W463 HydrophobicContact CG-CZ2 4.48Å; M461-W463 PolarHBondContact O-N 2.77Å; M461-Y483 HydrophobicContact CE-CE2 3.49Å; M461-Y483 VanDerWaalsContact CE-CE2 3.49Å; M461-Y483 HydrophobicContact SD-CE2 4Å
462	V	29.9	Very low	39	Very low	114 Å²	114	140 Å²	140	69%	0.691	73%	0.727	S	S	*	*			trans	-87.2	103.2	177.3	-178.5	0	0	0	0	108	R460 R464	R460-V462 VanDerWaalsContact C-N 3.34Å; R460-V462 PolarHBondContact O-N 2.76Å; V462-R464 PolarHBondContact O-N 2.64Å
463	W	30.6	Very low	38.5	Very low	181 Å²	181	144.4 Å²	144.4	69%	0.686	74%	0.741	S	S	*	*			trans	-69.5	108.3	162.7	-55	92.1	0	0	0	107.3	M461 D465	M461-W463 HydrophobicContact CE-CH2 4.1Å; M461-W463 HydrophobicContact CE-CZ2 3.57Å; M461-W463 HydrophobicContact CG-CZ2 4.48Å; M461-W463 PolarHBondContact O-N 2.77Å; W463-D465 PolarHBondContact O-N 3.2Å
464	R	36.5	Very low	38.3	Very low	210 Å²	210	143.1 Å²	143.1	79%	0.792	74%	0.738	S	S	*	*			trans	-90.1	103.3	170.8	-169.7	176.5	-87.9	147.9	-7.4	107.5	V462 N466	V462-R464 PolarHBondContact O-N 2.64Å; R464-N466 PolarHBondContact O-N 2.86Å
465	D	39.6	Very low	38.4	Very low	111 Å²	111	148 Å²	148	59%	0.594	76%	0.757	S	S	*	*			trans	-69.4	113.1	170.4	-166.5	6.2	0	0	0	108	W463 N467	W463-D465 PolarHBondContact O-N 3.2Å; D465-N467 PolarHBondContact O-N 3.16Å
466	N	46	Very low	38.2	Very low	145 Å²	145	143.9 Å²	143.9	78%	0.775	76%	0.759	S	S	*	*			trans	-83.7	39.5	-173.8	-125.1	19.4	0	0	0	110.8	R464 N468	R464-N466 PolarHBondContact O-N 2.86Å; N466-N468 PolarHBondContact O-N 3.47Å
467	N	37.7	Very low	38.2	Very low	127 Å²	127	142.3 Å²	142.3	68%	0.679	76%	0.759	S	S	*	*			trans	-99	48.1	-171	-132.8	3.2	0	0	0	111.7	D465	D465-N467 PolarHBondContact O-N 3.16Å
468	N	41.9	Very low	38.4	Very low	154 Å²	154	143.2 Å²	143.2	82%	0.824	75%	0.753	S	S	*	*			trans	-118.3	68.5	166.7	-91	-3.7	0	0	0	108.7	N466	N466-N468 PolarHBondContact O-N 3.47Å
469	N	43.2	Very low	38.6	Very low	153 Å²	153	142 Å²	142	82%	0.818	75%	0.751	S	S	*	*			trans	-142.8	80.1	159.8	-85.6	-27.1	0	0	0	108.2	N471	N469-N471 PolarHBondContact O-N 2.76Å
470	N	41.7	Very low	38.6	Very low	151 Å²	151	144.9 Å²	144.9	81%	0.807	75%	0.751	S	S	*	*			trans	-53.5	135.8	156.4	-74.3	-26.1	0	0	0	108
471	N	43.4	Very low	39	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	74%	0.743	S	S	*	*			trans	87.1	79.3	173.7	-41.9	-26.9	0	0	0	114.6	N469	N469-N471 PolarHBondContact O-N 2.76Å
472	N	48.5	Very low	39.4	Very low	149 Å²	149	142 Å²	142	80%	0.797	75%	0.749	S	S	*	*				177.6	114.8	107.7	-82.1	-22.9	0	0	0	109.3	T474	N472-T474 PolarHBondContact O-N 3.23Å
473	K	38.8	Very low	39.4	Very low	208 Å²	208	143.1 Å²	143.1	90%	0.904	74%	0.742	S	S	*	*			trans	-65.5	94.5	171.1	-76.2	175.3	174.7	175.6	0	108.8
474	T	43.1	Very low	39.6	Very low	119 Å²	119	143.8 Å²	143.8	73%	0.73	75%	0.746	S	S	*	*			trans	-134.4	111.9	155.6	47.7	0	0	0	0	107.9	N472	N472-T474 PolarHBondContact O-N 3.23Å
475	N	43	Very low	39.6	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	73%	0.732	S	S	*	*			trans	-53.6	144.7	-178.7	-59.4	-32.6	0	0	0	110.7
476	S	37.2	Very low	39.5	Very low	125 Å²	125	141.9 Å²	141.9	87%	0.874	74%	0.74	S	S	*	*			trans	86.6	75.4	169.4	-44.6	0	0	0	0	116.1
477	S	40.5	Very low	39.3	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	73%	0.727	S	S	*	*			trans	-146.9	117.2	152.1	61.7	0	0	0	0	110.8	T479	S477-T479 PolarHBondContact O-N 2.9Å
478	S	42.7	Very low	39.7	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	71%	0.711	S	S	*	*			trans	-43.7	120.2	171.5	51.1	0	0	0	0	112.1	H480	S478-H480 PolarHBondContact O-N 2.89Å
479	T	36.4	Very low	40.2	Very low	105 Å²	105	134 Å²	134	64%	0.644	70%	0.698	S	S	*	*			trans	-59.8	103.4	168.3	20.8	0	0	0	0	109.5	S477 Y481	S477-T479 PolarHBondContact O-N 2.9Å; T479-Y481 WeakPolarHBondContact O-CD2 3.44Å; T479-Y481 PolarHBondContact O-N 3.36Å
480	H	35.6	Very low	40.8	Very low	178 Å²	178	131.5 Å²	131.5	82%	0.824	68%	0.677	S	S	*	*			trans	-83	98.3	177.7	-130.3	-69.4	0	0	0	108.9	S478 S482	S478-H480 PolarHBondContact O-N 2.89Å; H480-S482 PolarHBondContact O-N 3.46Å
481	Y	34.7	Very low	41.7	Very low	158 Å²	158	126.8 Å²	126.8	62%	0.62	65%	0.654	S	S	*	*			trans	-78	111	173.3	-61.9	-83	0	0	0	109.4	T479	T479-Y481 WeakPolarHBondContact O-CD2 3.44Å; T479-Y481 PolarHBondContact O-N 3.36Å
482	S	37.4	Very low	42.8	Very low	89 Å²	89	122.6 Å²	122.6	62%	0.622	63%	0.634	S	S	*	*			trans	-92.3	120.9	173.5	62.9	0	0	0	0	111	H480	H480-S482 PolarHBondContact O-N 3.46Å
483	Y	30.3	Very low	43.9	Very low	139 Å²	139	117.8 Å²	117.8	55%	0.545	61%	0.608	S	S	.	*			trans	-88.9	115	-177.8	-170	-94.6	0	0	0	111.1	M461 K485	M461-Y483 HydrophobicContact CE-CE2 3.49Å; M461-Y483 VanDerWaalsContact CE-CE2 3.49Å; M461-Y483 HydrophobicContact SD-CE2 4Å; Y483-K485 HydrophobicContact CD1-CB 4.43Å; Y483-K485 HydrophobicContact CE1-CB 3.78Å; Y483-K485 HydrophobicContact CE1-CD 4.24Å; Y483-K485 HydrophobicContact CE1-CG 4.49Å
484	Y	34.5	Very low	45.8	Very low	195 Å²	195	111.5 Å²	111.5	77%	0.765	59%	0.587	S	S	*	*			trans	-119.3	101.4	171.7	-71.7	-81.3	0	0	0	110.3	H486	Y484-H486 PolarHBondContact O-N 3.42Å
485	K	36.2	Very low	47.6	Very low	119 Å²	119	106.4 Å²	106.4	52%	0.517	56%	0.555	S	S	.	*			trans	-87.1	102.6	173	-166.6	176.4	178.8	-174.3	0	107.8	E298 Y483 T487	E298-K485 IonicContact OE2-NZ 3Å; E298-K485 PolarHBondContact OE2-NZ 3.24Å; Y483-K485 HydrophobicContact CD1-CB 4.43Å; Y483-K485 HydrophobicContact CE1-CB 3.78Å; Y483-K485 HydrophobicContact CE1-CD 4.24Å; Y483-K485 HydrophobicContact CE1-CG 4.49Å; K485-T487 PolarHBondContact O-N 2.85Å
486	H	37.3	Very low	49.4	Very low	162 Å²	162	103.4 Å²	103.4	75%	0.75	55%	0.547	S	S	*	.			trans	-66.8	94.5	174.3	-73.4	-72.8	0	0	0	109.8	Y484	Y484-H486 PolarHBondContact O-N 3.42Å
487	T	42.4	Very low	51.6	Low	82 Å²	82	101.7 Å²	101.7	50%	0.503	53%	0.533	S	S	.	.			trans	-76	137.2	169.6	51.3	0	0	0	0	109.3	K485 K489	K485-T487 PolarHBondContact O-N 2.85Å; T487-K489 PolarHBondContact O-N 2.77Å
488	S	45.6	Very low	53.8	Low	49 Å²	49	98.8 Å²	98.8	34%	0.343	51%	0.512	S	S	.	.			trans	-63.1	110.1	177.1	53.8	0	0	0	0	109.6	Q450 W490	Q450-S488 PolarHBondContact NE2-OG 2.9Å; S488-W490 PolarHBondContact O-N 3.13Å
489	K	52.2	Low	56.1	Low	129 Å²	129	100.7 Å²	100.7	56%	0.561	51%	0.51	S	S	*	.			trans	-76.6	116.6	177.5	-165.3	174.4	-177.8	179.6	0	108.5	S451 T487	S451-K489 WeakPolarHBondContact CB-O 3.29Å; S451-K489 PolarHBondContact N-O 3.27Å; T487-K489 PolarHBondContact O-N 2.77Å
490	W	56.4	Low	58.8	Low	100 Å²	100	96.6 Å²	96.6	38%	0.379	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.7	168.8	-67.8	88.4	0	0	0	108.9	L448 K449 Q450 S488	L448-W490 HydrophobicContact CB-CE3 4.03Å; L448-W490 HydrophobicContact CB-CZ3 4.32Å; K449-W490 CarbonylContact O-C 3.54Å; K449-W490 WeakPolarHBondContact O-CA 3.43Å; Q450-W490 HydrophobicContact CB-CD2 4.34Å; Q450-W490 HydrophobicContact CB-CE3 3.96Å; Q450-W490 HydrophobicContact CB-CH2 3.89Å; Q450-W490 HydrophobicContact CB-CZ2 4.26Å; Q450-W490 HydrophobicContact CB-CZ3 3.73Å; Q450-W490 HydrophobicContact CG-CD2 4.4Å; Q450-W490 HydrophobicContact CG-CE3 4.5Å; Q450-W490 HydrophobicContact CG-CH2 4.21Å; Q450-W490 HydrophobicContact CG-CZ2 4.08Å; Q450-W490 HydrophobicContact CG-CZ3 4.42Å; S488-W490 PolarHBondContact O-N 3.13Å
491	T	60.2	Low	61.4	Low	53 Å²	53	88.1 Å²	88.1	33%	0.325	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.1	172.1	60.3	0	0	0	0	109.6	K449	K449-T491 PolarHBondContact N-O 3.39Å; K449-T491 PolarHBondContact O-N 2.85Å
492	V	67.1	Low	64.1	Low	52 Å²	52	87 Å²	87	32%	0.315	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123	175.6	-177.5	0	0	0	0	108	I446 L448	I446-V492 HydrophobicContact CB-CG1 4.49Å; I446-V492 HydrophobicContact CD1-CG1 4.17Å; I446-V492 HydrophobicContact CG2-CG1 3.22Å; L448-V492 HydrophobicContact CD2-CG2 4.14Å
493	D	71	Confident	66.7	Low	49 Å²	49	85.7 Å²	85.7	26%	0.262	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.4	178.1	-75	-5.2	0	0	0	110.2	K447 K449	K447-D493 HydrophobicContact CG-CB 3.98Å; K447-D493 WeakPolarHBondContact CG-O 3.2Å; K447-D493 PolarHBondContact N-O 2.83Å; K447-D493 PolarHBondContact O-N 3.28Å; K449-D493 WeakPolarHBondContact CD-OD2 3.28Å
494	V	77.3	Confident	69.7	Low	75 Å²	75	79 Å²	79	46%	0.455	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.5	169.5	-175.3	0	0	0	0	109.1	H444 I446	H444-V494 HydrophobicContact CB-CG1 4.21Å; I446-V494 HydrophobicContact CD1-CG2 3.87Å
495	V	81.1	Confident	72.4	Confident	12 Å²	12	70.2 Å²	70.2	7%	0.073	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-71.3	127.4	172.9	-178.5	0	0	0	0	108.3	L445 K447 T501 F523	L445-V495 HydrophobicContact CB-CB 4.22Å; L445-V495 HydrophobicContact CB-CG2 4.13Å; L445-V495 WeakPolarHBondContact O-CB 3.39Å; L445-V495 WeakPolarHBondContact O-CG2 3.44Å; L445-V495 PolarHBondContact O-N 2.9Å; K447-V495 HydrophobicContact CB-CG2 3.97Å; K447-V495 HydrophobicContact CD-CG2 4.15Å; K447-V495 HydrophobicContact CG-CG2 4.03Å; V495-T501 HydrophobicContact CG1-CG2 3.7Å; V495-F523 HydrophobicContact CB-CZ 4.42Å; V495-F523 HydrophobicContact CG1-CE1 4.32Å; V495-F523 HydrophobicContact CG1-CZ 3.75Å; V495-F523 HydrophobicContact CG2-CE1 4.47Å; V495-F523 HydrophobicContact CG2-CZ 3.84Å
496	S	81.1	Confident	75.1	Confident	91 Å²	91	70.1 Å²	70.1	64%	0.636	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-60	136	177.7	-54.8	0	0	0	0	111.1	S498	S496-S498 PolarHBondContact O-N 2.89Å
497	P	83.1	Confident	77.7	Confident	89 Å²	89	62.6 Å²	62.6	58%	0.578	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-55.8	131.6	176.6	-26.2	34.5	0	0	0	111.5
498	S	88.4	Confident	80.1	Confident	45 Å²	45	58.7 Å²	58.7	32%	0.315	30%	0.304	S	S	.	.			trans	-146.6	171.4	-179.3	62.5	0	0	0	0	110.3	S496 M500 T501 K502	S496-S498 PolarHBondContact O-N 2.89Å; S498-M500 PolarHBondContact O-N 3.08Å; S498-T501 PolarHBondContact N-OG1 3.4Å; S498-T501 PolarHBondContact O-N 3.23Å; S498-T501 PolarHBondContact O-OG1 2.9Å; S498-T501 VanDerWaalsContact O-OG1 3.12Å; S498-T501 WeakPolarHBondContact OG-CG2 3.46Å; S498-T501 PolarHBondContact OG-N 3.42Å; S498-K502 WeakPolarHBondContact O-CB 2.94Å; S498-K502 WeakPolarHBondContact O-CG 3.23Å; S498-K502 PolarHBondContact O-N 3.31Å
499	Q	90.5	Very high	82.4	Confident	144 Å²	144	61.9 Å²	61.9	67%	0.673	31%	0.312	S	S	*	.	H	α-helix	trans	-57.9	-37.2	172.6	-176.4	177.1	1.3	0	0	111.6	E503	Q499-E503 PolarHBondContact O-N 2.97Å
500	M	92.3	Very high	84.3	Confident	18 Å²	18	58.9 Å²	58.9	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-54.5	175	176	-177.5	73.2	0	0	111.3	S498 K502 E503 I504 Y519 Y520 F523	S498-M500 PolarHBondContact O-N 3.08Å; M500-K502 VanDerWaalsContact C-N 3.31Å; M500-K502 PolarHBondContact O-N 3.23Å; M500-E503 PolarHBondContact O-N 3.4Å; M500-I504 HydrophobicContact CG-CD1 3.55Å; M500-I504 HydrophobicContact CG-CG1 4.33Å; M500-I504 WeakPolarHBondContact O-CB 3.37Å; M500-I504 WeakPolarHBondContact O-CG1 3.16Å; M500-I504 PolarHBondContact O-N 3.27Å; M500-I504 HydrophobicContact SD-CD1 4.35Å; M500-Y519 HydrophobicContact SD-CD1 4.03Å; M500-Y519 HydrophobicContact SD-CE1 3.52Å; M500-Y519 VanDerWaalsContact SD-CE1 3.52Å; M500-Y520 HydrophobicContact CB-CD1 3.89Å; M500-Y520 HydrophobicContact CB-CD2 4.38Å; M500-Y520 HydrophobicContact CB-CE1 3.63Å; M500-Y520 HydrophobicContact CB-CE2 4.13Å; M500-Y520 HydrophobicContact CB-CG 4.27Å; M500-Y520 HydrophobicContact CG-CD1 3.49Å; M500-Y520 VanDerWaalsContact CG-CD1 3.49Å; M500-Y520 HydrophobicContact CG-CD2 4.23Å; M500-Y520 HydrophobicContact CG-CE1 3.8Å; M500-Y520 HydrophobicContact CG-CE2 4.47Å; M500-Y520 HydrophobicContact CG-CG 3.75Å; M500-Y520 HydrophobicContact SD-CD1 4.02Å; M500-Y520 HydrophobicContact SD-CE1 4.4Å; M500-F523 HydrophobicContact CE-CB 4.22Å; M500-F523 HydrophobicContact CE-CD1 3.6Å; M500-F523 HydrophobicContact CE-CD2 3.47Å; M500-F523 VanDerWaalsContact CE-CD2 3.47Å; M500-F523 HydrophobicContact CE-CE1 3.73Å; M500-F523 HydrophobicContact CE-CE2 3.62Å; M500-F523 HydrophobicContact CE-CG 3.46Å; M500-F523 VanDerWaalsContact CE-CG 3.46Å; M500-F523 HydrophobicContact CE-CZ 3.74Å; M500-F523 HydrophobicContact SD-CB 3.67Å; M500-F523 HydrophobicContact SD-CD1 4.08Å; M500-F523 HydrophobicContact SD-CD2 3.95Å; M500-F523 HydrophobicContact SD-CG 3.61Å
501	T	90.9	Very high	85.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-39.5	-177.6	64.8	0	0	0	0	111	D443 L445 V495 S498 E503 I504 M505	D443-T501 WeakPolarHBondContact OD1-CB 3.47Å; D443-T501 PolarHBondContact OD1-OG1 3.46Å; D443-T501 PolarHBondContact OD2-OG1 3.35Å; D443-T501 VanDerWaalsContact OD2-OG1 3.05Å; L445-T501 HydrophobicContact CD1-CG2 4.33Å; V495-T501 HydrophobicContact CG1-CG2 3.7Å; S498-T501 PolarHBondContact N-OG1 3.4Å; S498-T501 PolarHBondContact O-N 3.23Å; S498-T501 PolarHBondContact O-OG1 2.9Å; S498-T501 VanDerWaalsContact O-OG1 3.12Å; S498-T501 WeakPolarHBondContact OG-CG2 3.46Å; S498-T501 PolarHBondContact OG-N 3.42Å; T501-E503 PolarHBondContact O-N 3.16Å; T501-I504 PolarHBondContact O-N 3.17Å; T501-M505 WeakPolarHBondContact O-CB 3.33Å; T501-M505 WeakPolarHBondContact O-CG 3.37Å; T501-M505 PolarHBondContact O-N 3.4Å
502	K	91	Very high	87.2	Confident	134 Å²	134	54.3 Å²	54.3	58%	0.583	29%	0.289	S	S	*	.	H	α-helix	trans	-58.1	-49.3	173.6	-73.4	178.6	-179	-178.4	0	113.3	S498 M500 M505 R506	S498-K502 WeakPolarHBondContact O-CB 2.94Å; S498-K502 WeakPolarHBondContact O-CG 3.23Å; S498-K502 PolarHBondContact O-N 3.31Å; M500-K502 VanDerWaalsContact C-N 3.31Å; M500-K502 PolarHBondContact O-N 3.23Å; K502-M505 PolarHBondContact O-N 3.49Å; K502-R506 VanDerWaalsContact O-CB 3.28Å; K502-R506 WeakPolarHBondContact O-CB 3.27Å; K502-R506 PolarHBondContact O-N 3.35Å
503	E	92	Very high	87.7	Confident	62 Å²	62	54.6 Å²	54.6	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-40.3	177.9	-79	-56	129.1	0	0	111.7	Q499 M500 T501 M505 R506 T507 L516 Y520	Q499-E503 PolarHBondContact O-N 2.97Å; M500-E503 PolarHBondContact O-N 3.4Å; T501-E503 PolarHBondContact O-N 3.16Å; E503-M505 VanDerWaalsContact C-N 3.3Å; E503-M505 PolarHBondContact O-N 2.87Å; E503-R506 PolarHBondContact O-N 3.05Å; E503-R506 IonicContact OE1-NE 3.22Å; E503-R506 PolarHBondContact OE1-NE 2.92Å; E503-R506 IonicContact OE2-CZ 3.64Å; E503-R506 IonicContact OE2-NE 2.83Å; E503-R506 PolarHBondContact OE2-NE 2.96Å; E503-R506 IonicContact OE2-NH2 3.77Å; E503-R506 PolarHBondContact OE2-NH2 3.24Å; E503-R506 VanDerWaalsContact OE2-NH2 3.11Å; E503-T507 WeakPolarHBondContact O-CG2 3.14Å; E503-T507 PolarHBondContact O-N 2.05Å; E503-T507 PolarHBondContact O-OG1 3.12Å; E503-L516 HydrophobicContact CB-CD2 4.24Å; E503-Y520 HydrophobicContact CB-CD2 4.18Å; E503-Y520 HydrophobicContact CB-CE2 4.25Å; E503-Y520 HydrophobicContact CG-CE2 4.47Å
504	I	92.3	Very high	88.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-40.8	176.6	-73.2	175.7	0	0	0	111.9	L445 M500 T501 T507 S508 L516 Y520 F523 A524	L445-I504 HydrophobicContact CD1-CG2 4.03Å; M500-I504 HydrophobicContact CG-CD1 3.55Å; M500-I504 HydrophobicContact CG-CG1 4.33Å; M500-I504 WeakPolarHBondContact O-CB 3.37Å; M500-I504 WeakPolarHBondContact O-CG1 3.16Å; M500-I504 PolarHBondContact O-N 3.27Å; M500-I504 HydrophobicContact SD-CD1 4.35Å; T501-I504 PolarHBondContact O-N 3.17Å; I504-T507 PolarHBondContact O-OG1 2.9Å; I504-T507 VanDerWaalsContact O-OG1 3.1Å; I504-S508 PolarHBondContact O-N 3.29Å; I504-L516 HydrophobicContact CG1-CD1 3.95Å; I504-Y520 WeakPolarHBondContact CD1-O 3.31Å; I504-F523 HydrophobicContact CD1-CB 4.1Å; I504-F523 HydrophobicContact CD1-CD1 3.63Å; I504-F523 HydrophobicContact CD1-CG 4.27Å; I504-A524 HydrophobicContact CD1-CB 4.04Å; I504-A524 HydrophobicContact CG1-CB 4.12Å; I504-A524 HydrophobicContact CG2-CB 3.86Å
505	M	92.5	Very high	88.4	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.044	31%	0.305	C	S	.	.	H	α-helix	trans	-76.7	-34.2	177.1	-64.2	-55.5	-64.4	0	0	111.9	L440 N441 T442 D443 L445 T501 K502 E503 S508 K509	L440-M505 WeakPolarHBondContact O-CE 3.45Å; N441-M505 VanDerWaalsContact C-CE 3.49Å; T442-M505 WeakPolarHBondContact O-CE 3.37Å; D443-M505 HydrophobicContact CB-CG 4.36Å; L445-M505 HydrophobicContact CD1-SD 4.45Å; L445-M505 HydrophobicContact CD2-SD 3.72Å; L445-M505 HydrophobicContact CG-SD 4.12Å; T501-M505 WeakPolarHBondContact O-CB 3.33Å; T501-M505 WeakPolarHBondContact O-CG 3.37Å; T501-M505 PolarHBondContact O-N 3.4Å; K502-M505 PolarHBondContact O-N 3.49Å; E503-M505 VanDerWaalsContact C-N 3.3Å; E503-M505 PolarHBondContact O-N 2.87Å; M505-S508 PolarHBondContact O-N 3.45Å; M505-S508 PolarHBondContact O-OG 2.88Å; M505-K509 WeakPolarHBondContact O-CB 3.47Å; M505-K509 PolarHBondContact O-N 3.39Å; M505-K509 VanDerWaalsContact O-N 3.1Å
506	R	92.7	Very high	88.7	Confident	118 Å²	118	58 Å²	58	45%	0.445	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-46.5	174.1	-167	-175.7	76.7	79.5	0.5	110.9	K502 E503 K509 T510	K502-R506 VanDerWaalsContact O-CB 3.28Å; K502-R506 WeakPolarHBondContact O-CB 3.27Å; K502-R506 PolarHBondContact O-N 3.35Å; E503-R506 PolarHBondContact O-N 3.05Å; E503-R506 IonicContact OE1-NE 3.22Å; E503-R506 PolarHBondContact OE1-NE 2.92Å; E503-R506 IonicContact OE2-CZ 3.64Å; E503-R506 IonicContact OE2-NE 2.83Å; E503-R506 PolarHBondContact OE2-NE 2.96Å; E503-R506 IonicContact OE2-NH2 3.77Å; E503-R506 PolarHBondContact OE2-NH2 3.24Å; E503-R506 VanDerWaalsContact OE2-NH2 3.11Å; R506-K509 PolarHBondContact O-N 2.9Å; R506-T510 HydrophobicContact CG-CG2 4.31Å; R506-T510 PolarHBondContact O-N 2.95Å; R506-T510 PolarHBondContact O-OG1 2.75Å; R506-T510 VanDerWaalsContact O-OG1 3.06Å
507	T	91.4	Very high	89	Confident	4 Å²	4	57.2 Å²	57.2	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-36.6	179.6	58.2	0	0	0	0	112.4	E503 I504 K509 C511 P512 L516	E503-T507 WeakPolarHBondContact O-CG2 3.14Å; E503-T507 PolarHBondContact O-N 2.05Å; E503-T507 PolarHBondContact O-OG1 3.12Å; I504-T507 PolarHBondContact O-OG1 2.9Å; I504-T507 VanDerWaalsContact O-OG1 3.1Å; T507-K509 VanDerWaalsContact C-N 3.25Å; T507-K509 PolarHBondContact O-N 3.34Å; T507-C511 WeakPolarHBondContact O-CA 3.46Å; T507-C511 PolarHBondContact O-N 3.48Å; T507-P512 HydrophobicContact CG2-CG 3.72Å; T507-P512 VanDerWaalsContact O-CD 3.25Å; T507-P512 WeakPolarHBondContact O-CD 3.37Å; T507-L516 HydrophobicContact CG2-CD2 3.52Å; T507-L516 HydrophobicContact CG2-CG 3.97Å
508	S	93	Very high	89	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-28.6	173.6	82.5	0	0	0	0	113.1	Y280 R313 I504 M505	Y280-S508 WeakPolarHBondContact CE1-O 3.4Å; Y280-S508 PolarHBondContact OH-O 2.83Å; Y280-S508 VanDerWaalsContact OH-O 3.09Å; R313-S508 PolarHBondContact NH2-O 3.36Å; I504-S508 PolarHBondContact O-N 3.29Å; M505-S508 PolarHBondContact O-N 3.45Å; M505-S508 PolarHBondContact O-OG 2.88Å
509	K	93.4	Very high	88.9	Confident	115 Å²	115	63.8 Å²	63.8	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-85.1	-38.5	177.1	-176.5	179.3	178.3	179.9	0	113.9	K279 Y280 N441 M505 R506 T507	K279-K509 PolarHBondContact NZ-O 2.88Å; Y280-K509 VanDerWaalsContact OH-C 3.24Å; Y280-K509 WeakPolarHBondContact OH-CA 3.35Å; Y280-K509 PolarHBondContact OH-O 2.8Å; N441-K509 HydrophobicContact CB-CD 4.42Å; N441-K509 WeakPolarHBondContact OD1-CB 3.49Å; M505-K509 WeakPolarHBondContact O-CB 3.47Å; M505-K509 PolarHBondContact O-N 3.39Å; M505-K509 VanDerWaalsContact O-N 3.1Å; R506-K509 PolarHBondContact O-N 2.9Å; T507-K509 VanDerWaalsContact C-N 3.25Å; T507-K509 PolarHBondContact O-N 3.34Å
510	T	91.9	Very high	88.9	Confident	67 Å²	67	59.1 Å²	59.1	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-94.1	-19.1	-175.3	63.1	0	0	0	0	113.1	R506 P512	R506-T510 HydrophobicContact CG-CG2 4.31Å; R506-T510 PolarHBondContact O-N 2.95Å; R506-T510 PolarHBondContact O-OG1 2.75Å; R506-T510 VanDerWaalsContact O-OG1 3.06Å; T510-P512 WeakPolarHBondContact OG1-CD 3.36Å
511	C	91.6	Very high	88.7	Confident	25 Å²	25	58.5 Å²	58.5	17%	0.169	29%	0.287	C	S	.	.			trans	50.3	55.3	-172.7	-57	0	0	0	0	113.1	Y280 C315 T507	Y280-C511 WeakPolarHBondContact CE1-SG 3.29Å; C315-C511 HydrophobicContact CB-CB 3.71Å; C315-C511 WeakPolarHBondContact CB-SG 3.32Å; C315-C511 WeakPolarHBondContact SG-CA 3.22Å; C315-C511 WeakPolarHBondContact SG-CB 3.46Å; C315-C511 CovalentContact SG-SG 2.04Å; C315-C511 PolarHBondContact SG-SG 2.77Å; T507-C511 WeakPolarHBondContact O-CA 3.46Å; T507-C511 PolarHBondContact O-N 3.48Å
512	P	85.9	Confident	88.4	Confident	31 Å²	31	62 Å²	62	20%	0.201	30%	0.304	C	S	.	.			trans	-70.9	150.4	178.4	31.9	-28.5	0	0	0	110.2	T507 T510 K514	T507-P512 HydrophobicContact CG2-CG 3.72Å; T507-P512 VanDerWaalsContact O-CD 3.25Å; T507-P512 WeakPolarHBondContact O-CD 3.37Å; T510-P512 WeakPolarHBondContact OG1-CD 3.36Å; P512-K514 VanDerWaalsContact C-N 3.31Å; P512-K514 PolarHBondContact O-N 2.99Å
513	S	78.8	Confident	88.2	Confident	59 Å²	59	57.1 Å²	57.1	41%	0.413	28%	0.282	S	S	.	.	S	Bend	trans	-66.6	-34.1	174.8	54.5	0	0	0	0	112.2	Q249 P319 S515	Q249-S513 PolarHBondContact OE1-O 3.44Å; P319-S513 WeakPolarHBondContact CB-O 3.3Å; S513-S515 PolarHBondContact O-N 2.94Å
514	K	82.3	Confident	88.1	Confident	159 Å²	159	54.1 Å²	54.1	69%	0.691	27%	0.268	S	S	*	.	S	Bend	trans	-68.1	129	-179.9	-171	177.7	178.7	179	0	111.5	P512	P512-K514 VanDerWaalsContact C-N 3.31Å; P512-K514 PolarHBondContact O-N 2.99Å
515	S	80.9	Confident	87.8	Confident	39 Å²	39	54.2 Å²	54.2	27%	0.273	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-65.4	149.8	173.3	63.8	0	0	0	0	112.2	S513	S513-S515 PolarHBondContact O-N 2.94Å
516	L	86.7	Confident	87.5	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.042	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61.5	154.6	167.9	-74.1	167	0	0	0	110.6	E503 I504 T507 Y520 A524	E503-L516 HydrophobicContact CB-CD2 4.24Å; I504-L516 HydrophobicContact CG1-CD1 3.95Å; T507-L516 HydrophobicContact CG2-CD2 3.52Å; T507-L516 HydrophobicContact CG2-CG 3.97Å; L516-Y520 HydrophobicContact CD2-CD2 4.48Å; L516-A524 HydrophobicContact CD1-CB 4.13Å
517	P	88	Confident	87.3	Confident	76 Å²	76	52.4 Å²	52.4	49%	0.494	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-51.7	147.1	165.6	-24	33.4	0	0	0	111.2	Y519 Y520 S521	P517-Y519 VanDerWaalsContact C-N 3.31Å; P517-Y519 PolarHBondContact O-N 2.83Å; P517-Y520 HydrophobicContact CB-CG 4.37Å; P517-Y520 HydrophobicContact CG-CD2 4.09Å; P517-Y520 HydrophobicContact CG-CE2 4.49Å; P517-Y520 HydrophobicContact CG-CG 4.34Å; P517-Y520 WeakPolarHBondContact O-CA 3.27Å; P517-Y520 WeakPolarHBondContact O-CB 3.13Å; P517-Y520 PolarHBondContact O-N 2.93Å; P517-S521 PolarHBondContact O-N 2.92Å
518	D	83.2	Confident	87.3	Confident	120 Å²	120	52.2 Å²	52.2	64%	0.642	27%	0.266	S	S	*	.	H	α-helix	trans	-54.1	-43.6	-170.2	-66.7	-22.2	0	0	0	113.4	Y520 S521 Q522	D518-Y520 VanDerWaalsContact C-N 3.35Å; D518-Y520 PolarHBondContact O-N 3.48Å; D518-S521 WeakPolarHBondContact O-CB 3.16Å; D518-S521 PolarHBondContact O-N 3.04Å; D518-Q522 WeakPolarHBondContact O-CB 3.4Å; D518-Q522 PolarHBondContact O-N 3.3Å
519	Y	86.2	Confident	87.1	Confident	151 Å²	151	52.6 Å²	52.6	59%	0.592	27%	0.268	S	S	*	.	H	α-helix	trans	-61.1	-41.4	175.8	179.5	-110	0	0	0	112.5	M500 P517 Q522 F523	M500-Y519 HydrophobicContact SD-CD1 4.03Å; M500-Y519 HydrophobicContact SD-CE1 3.52Å; M500-Y519 VanDerWaalsContact SD-CE1 3.52Å; P517-Y519 VanDerWaalsContact C-N 3.31Å; P517-Y519 PolarHBondContact O-N 2.83Å; Y519-Q522 PolarHBondContact O-N 2.78Å; Y519-F523 PolarHBondContact O-N 2.92Å
520	Y	90.5	Very high	86.8	Confident	47 Å²	47	47.2 Å²	47.2	18%	0.184	24%	0.244	C	C	.	.	H	α-helix	trans	-72.1	-37.7	-179.9	-68.4	12.6	0	0	0	110.4	M500 E503 I504 L516 P517 D518 F523 A524	M500-Y520 HydrophobicContact CB-CD1 3.89Å; M500-Y520 HydrophobicContact CB-CD2 4.38Å; M500-Y520 HydrophobicContact CB-CE1 3.63Å; M500-Y520 HydrophobicContact CB-CE2 4.13Å; M500-Y520 HydrophobicContact CB-CG 4.27Å; M500-Y520 HydrophobicContact CG-CD1 3.49Å; M500-Y520 VanDerWaalsContact CG-CD1 3.49Å; M500-Y520 HydrophobicContact CG-CD2 4.23Å; M500-Y520 HydrophobicContact CG-CE1 3.8Å; M500-Y520 HydrophobicContact CG-CE2 4.47Å; M500-Y520 HydrophobicContact CG-CG 3.75Å; M500-Y520 HydrophobicContact SD-CD1 4.02Å; M500-Y520 HydrophobicContact SD-CE1 4.4Å; E503-Y520 HydrophobicContact CB-CD2 4.18Å; E503-Y520 HydrophobicContact CB-CE2 4.25Å; E503-Y520 HydrophobicContact CG-CE2 4.47Å; I504-Y520 WeakPolarHBondContact CD1-O 3.31Å; L516-Y520 HydrophobicContact CD2-CD2 4.48Å; P517-Y520 HydrophobicContact CB-CG 4.37Å; P517-Y520 HydrophobicContact CG-CD2 4.09Å; P517-Y520 HydrophobicContact CG-CE2 4.49Å; P517-Y520 HydrophobicContact CG-CG 4.34Å; P517-Y520 WeakPolarHBondContact O-CA 3.27Å; P517-Y520 WeakPolarHBondContact O-CB 3.13Å; P517-Y520 PolarHBondContact O-N 2.93Å; D518-Y520 VanDerWaalsContact C-N 3.35Å; D518-Y520 PolarHBondContact O-N 3.48Å; Y520-F523 PolarHBondContact O-N 2.9Å; Y520-A524 WeakPolarHBondContact O-CB 3.44Å; Y520-A524 PolarHBondContact O-N 3.02Å
521	S	87.2	Confident	86.1	Confident	4 Å²	4	46 Å²	46	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-47.1	174.3	-171.7	0	0	0	0	111	S321 T336 P517 D518 F523 A524 T525	S321-S521 VanDerWaalsContact CA-OG 3.25Å; S321-S521 WeakPolarHBondContact CA-OG 3.44Å; S321-S521 WeakPolarHBondContact CB-OG 3.47Å; T336-S521 WeakPolarHBondContact CG2-OG 3.41Å; P517-S521 PolarHBondContact O-N 2.92Å; D518-S521 WeakPolarHBondContact O-CB 3.16Å; D518-S521 PolarHBondContact O-N 3.04Å; S521-F523 PolarHBondContact O-N 3.37Å; S521-A524 PolarHBondContact O-N 2.91Å; S521-T525 VanDerWaalsContact O-CG2 3.25Å; S521-T525 WeakPolarHBondContact O-CG2 3.34Å; S521-T525 PolarHBondContact O-N 3.1Å; S521-T525 PolarHBondContact O-OG1 2.85Å
522	Q	84.1	Confident	85.6	Confident	75 Å²	75	46 Å²	46	35%	0.35	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-44.3	174.4	-172.3	178.4	14.6	0	0	111.6	L323 D518 Y519 A524 T525 L526	L323-Q522 HydrophobicContact CD2-CB 4.05Å; L323-Q522 HydrophobicContact CD2-CG 4.02Å; D518-Q522 WeakPolarHBondContact O-CB 3.4Å; D518-Q522 PolarHBondContact O-N 3.3Å; Y519-Q522 PolarHBondContact O-N 2.78Å; Q522-A524 PolarHBondContact O-N 2.71Å; Q522-T525 PolarHBondContact O-N 3.2Å; Q522-T525 PolarHBondContact O-OG1 2.99Å; Q522-L526 HydrophobicContact CG-CD1 4.26Å; Q522-L526 WeakPolarHBondContact O-CG 3.42Å; Q522-L526 PolarHBondContact O-N 2.87Å
523	F	87.6	Confident	85.6	Confident	30 Å²	30	46 Å²	46	13%	0.132	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-45.7	177	-169.5	-86.8	0	0	0	111.9	L445 V495 M500 I504 Y519 Y520 S521 T525 L526 H527	L445-F523 HydrophobicContact CD1-CE1 3.97Å; V495-F523 HydrophobicContact CB-CZ 4.42Å; V495-F523 HydrophobicContact CG1-CE1 4.32Å; V495-F523 HydrophobicContact CG1-CZ 3.75Å; V495-F523 HydrophobicContact CG2-CE1 4.47Å; V495-F523 HydrophobicContact CG2-CZ 3.84Å; M500-F523 HydrophobicContact CE-CB 4.22Å; M500-F523 HydrophobicContact CE-CD1 3.6Å; M500-F523 HydrophobicContact CE-CD2 3.47Å; M500-F523 VanDerWaalsContact CE-CD2 3.47Å; M500-F523 HydrophobicContact CE-CE1 3.73Å; M500-F523 HydrophobicContact CE-CE2 3.62Å; M500-F523 HydrophobicContact CE-CG 3.46Å; M500-F523 VanDerWaalsContact CE-CG 3.46Å; M500-F523 HydrophobicContact CE-CZ 3.74Å; M500-F523 HydrophobicContact SD-CB 3.67Å; M500-F523 HydrophobicContact SD-CD1 4.08Å; M500-F523 HydrophobicContact SD-CD2 3.95Å; M500-F523 HydrophobicContact SD-CG 3.61Å; I504-F523 HydrophobicContact CD1-CB 4.1Å; I504-F523 HydrophobicContact CD1-CD1 3.63Å; I504-F523 HydrophobicContact CD1-CG 4.27Å; Y519-F523 PolarHBondContact O-N 2.92Å; Y520-F523 PolarHBondContact O-N 2.9Å; S521-F523 PolarHBondContact O-N 3.37Å; F523-T525 VanDerWaalsContact C-N 3.32Å; F523-T525 PolarHBondContact O-N 3.02Å; F523-L526 PolarHBondContact O-N 2.95Å; F523-L526 VanDerWaalsContact O-N 3.09Å; F523-H527 HydrophobicContact CD1-CB 4.45Å; F523-H527 AromaticContact CD1-ND1 3.81Å; F523-H527 AromaticContact CD2-CE1 3.74Å; F523-H527 AromaticContact CD2-ND1 3.75Å; F523-H527 HydrophobicContact CE1-CB 4.01Å; F523-H527 AromaticContact CE1-CG 3.83Å; F523-H527 AromaticContact CE1-ND1 3.7Å; F523-H527 AromaticContact CE2-CE1 3.45Å; F523-H527 VanDerWaalsContact CE2-CE1 3.45Å; F523-H527 WeakPolarHBondContact CE2-CE1 3.3Å; F523-H527 AromaticContact CE2-ND1 3.63Å; F523-H527 AromaticContact CE2-NE2 3.99Å; F523-H527 AromaticContact CG-ND1 3.84Å; F523-H527 HydrophobicContact CZ-CB 4.43Å; F523-H527 AromaticContact CZ-CE1 3.77Å; F523-H527 AromaticContact CZ-CG 3.81Å; F523-H527 AromaticContact CZ-ND1 3.6Å; F523-H527 PolarHBondContact O-N 2.96Å; F523-H527 VanDerWaalsContact O-N 3.1Å; F523-H527 PolarHBondContact O-ND1 3.25Å
524	A	89.3	Confident	86.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-37	-179.7	0	0	0	0	0	113.1	R339 I504 L516 Y520 S521 Q522 L526	R339-A524 PolarHBondContact NH1-O 3.08Å; R339-A524 VanDerWaalsContact NH1-O 3.1Å; I504-A524 HydrophobicContact CD1-CB 4.04Å; I504-A524 HydrophobicContact CG1-CB 4.12Å; I504-A524 HydrophobicContact CG2-CB 3.86Å; L516-A524 HydrophobicContact CD1-CB 4.13Å; Y520-A524 WeakPolarHBondContact O-CB 3.44Å; Y520-A524 PolarHBondContact O-N 3.02Å; S521-A524 PolarHBondContact O-N 2.91Å; Q522-A524 PolarHBondContact O-N 2.71Å; A524-L526 VanDerWaalsContact C-N 3.26Å; A524-L526 PolarHBondContact O-N 3.27Å
525	T	87	Confident	86.6	Confident	2 Å²	2	40 Å²	40	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-75.2	-11.9	176.6	57.8	0	0	0	0	113.4	W263 V334 F335 T336 S521 Q522 F523	W263-T525 PolarHBondContact NE1-O 3.27Å; V334-T525 HydrophobicContact CB-CG2 3.85Å; V334-T525 HydrophobicContact CG1-CG2 3.67Å; F335-T525 WeakPolarHBondContact O-CG2 3.34Å; T336-T525 HydrophobicContact CG2-CG2 4.01Å; S521-T525 VanDerWaalsContact O-CG2 3.25Å; S521-T525 WeakPolarHBondContact O-CG2 3.34Å; S521-T525 PolarHBondContact O-N 3.1Å; S521-T525 PolarHBondContact O-OG1 2.85Å; Q522-T525 PolarHBondContact O-N 3.2Å; Q522-T525 PolarHBondContact O-OG1 2.99Å; F523-T525 VanDerWaalsContact C-N 3.32Å; F523-T525 PolarHBondContact O-N 3.02Å
526	L	85.6	Confident	87.1	Confident	60 Å²	60	38.3 Å²	38.3	31%	0.314	20%	0.198	S	C	.	.	H	α-helix	trans	-101	-24.2	177.2	-68.3	173.2	0	0	0	112.8	L262 Q522 F523 A524 P528	L262-L526 VanDerWaalsContact CD1-O 3.28Å; L262-L526 WeakPolarHBondContact CD1-O 3.42Å; Q522-L526 HydrophobicContact CG-CD1 4.26Å; Q522-L526 WeakPolarHBondContact O-CG 3.42Å; Q522-L526 PolarHBondContact O-N 2.87Å; F523-L526 PolarHBondContact O-N 2.95Å; F523-L526 VanDerWaalsContact O-N 3.09Å; A524-L526 VanDerWaalsContact C-N 3.26Å; A524-L526 PolarHBondContact O-N 3.27Å; L526-P528 VanDerWaalsContact C-CD 3.44Å; L526-P528 WeakPolarHBondContact O-CD 3.49Å
527	H	88.3	Confident	87.3	Confident	28 Å²	28	38 Å²	38	13%	0.13	20%	0.196	C	C	.	.			trans	-124.5	67.7	-172	-54.1	84.3	0	0	0	112.4	I446 F523	I446-H527 PolarHBondContact O-CD2 3.23Å; F523-H527 HydrophobicContact CD1-CB 4.45Å; F523-H527 AromaticContact CD1-ND1 3.81Å; F523-H527 AromaticContact CD2-CE1 3.74Å; F523-H527 AromaticContact CD2-ND1 3.75Å; F523-H527 HydrophobicContact CE1-CB 4.01Å; F523-H527 AromaticContact CE1-CG 3.83Å; F523-H527 AromaticContact CE1-ND1 3.7Å; F523-H527 AromaticContact CE2-CE1 3.45Å; F523-H527 VanDerWaalsContact CE2-CE1 3.45Å; F523-H527 WeakPolarHBondContact CE2-CE1 3.3Å; F523-H527 AromaticContact CE2-ND1 3.63Å; F523-H527 AromaticContact CE2-NE2 3.99Å; F523-H527 AromaticContact CG-ND1 3.84Å; F523-H527 HydrophobicContact CZ-CB 4.43Å; F523-H527 AromaticContact CZ-CE1 3.77Å; F523-H527 AromaticContact CZ-CG 3.81Å; F523-H527 AromaticContact CZ-ND1 3.6Å; F523-H527 PolarHBondContact O-N 2.96Å; F523-H527 VanDerWaalsContact O-N 3.1Å; F523-H527 PolarHBondContact O-ND1 3.25Å
528	P	91.4	Very high	87.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.			trans	-81	-17.5	178.2	34.6	-39.5	0	0	0	114.1	L262 W263 F338 R339 K340 L526	L262-P528 WeakPolarHBondContact O-CG 3.46Å; W263-P528 HydrophobicContact CB-CG 4.43Å; W263-P528 VanDerWaalsContact CD1-CG 3.49Å; W263-P528 HydrophobicContact CD2-CG 4.09Å; W263-P528 HydrophobicContact CG-CG 3.79Å; F338-P528 HydrophobicContact CD1-CB 3.65Å; F338-P528 HydrophobicContact CD1-CG 4.43Å; F338-P528 HydrophobicContact CE1-CB 4.08Å; F338-P528 VanDerWaalsContact O-CB 3.29Å; F338-P528 WeakPolarHBondContact O-CB 3.45Å; R339-P528 CarbonylContact C-O 3.59Å; R339-P528 VanDerWaalsContact CA-O 3.25Å; R339-P528 WeakPolarHBondContact CA-O 3.5Å; R339-P528 WeakPolarHBondContact CD-O 3.39Å; K340-P528 PolarHBondContact N-O 3.48Å; L526-P528 VanDerWaalsContact C-CD 3.44Å; L526-P528 WeakPolarHBondContact O-CD 3.49Å
529	L	90	Very high	87	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.5	-176	177.6	63.3	0	0	0	111.1	L262 I290 K340 I446	L262-L529 HydrophobicContact CD2-CB 4.49Å; L262-L529 HydrophobicContact CD2-CD2 4.43Å; I290-L529 HydrophobicContact CD1-CD2 3.62Å; I290-L529 HydrophobicContact CG1-CD2 4.22Å; K340-L529 HydrophobicContact CG-CD1 4.08Å; I446-L529 HydrophobicContact CB-CB 4.23Å; I446-L529 HydrophobicContact CB-CD2 4.09Å; I446-L529 HydrophobicContact CB-CG 4.03Å; I446-L529 HydrophobicContact CG1-CD2 4.37Å; I446-L529 HydrophobicContact CG1-CG 4.14Å; I446-L529 HydrophobicContact CG2-CD2 3.91Å; I446-L529 HydrophobicContact CG2-CG 4.41Å; I446-L529 PolarHBondContact N-O 3.06Å
530	V	86.7	Confident	86.5	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.8	171.2	-171.6	0	0	0	0	109.5	R339 K340 L440 L445 T532	R339-V530 HydrophobicContact CB-CG2 4.24Å; K340-V530 PolarHBondContact O-N 3.14Å; L440-V530 HydrophobicContact CD2-CG2 4.39Å; L445-V530 HydrophobicContact CD2-CG2 4.46Å; V530-T532 VanDerWaalsContact C-N 3.27Å; V530-T532 HydrophobicContact CG1-CG2 4.47Å; V530-T532 WeakPolarHBondContact CG1-OG1 3.13Å; V530-T532 PolarHBondContact O-N 2.83Å
531	G	77.5	Confident	85.5	Confident	42 Å²	42	27.5 Å²	27.5	43%	0.433	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-8.2	-176.8	0	0	0	0	0	115.1	H444	H444-G531 PolarHBondContact O-N 3.16Å
532	T	81.6	Confident	84.3	Confident	25 Å²	25	28.7 Å²	28.7	15%	0.153	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	168.2	176.1	61.2	0	0	0	0	111.2	T341 N439 T442 V530	T341-T532 PolarHBondContact OG1-O 2.73Å; N439-T532 PolarHBondContact O-OG1 3.35Å; N439-T532 WeakPolarHBondContact OD1-CB 3.3Å; N439-T532 PolarHBondContact OD1-OG1 2.81Å; T442-T532 HydrophobicContact CG2-CG2 3.88Å; V530-T532 VanDerWaalsContact C-N 3.27Å; V530-T532 HydrophobicContact CG1-CG2 4.47Å; V530-T532 WeakPolarHBondContact CG1-OG1 3.13Å; V530-T532 PolarHBondContact O-N 2.83Å
533	S	85.8	Confident	83	Confident	30 Å²	30	29.8 Å²	29.8	21%	0.21	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144	180	-63.6	0	0	0	0	110.6	T341 N439 W535	T341-S533 WeakPolarHBondContact OG1-CA 3.48Å; N439-S533 PolarHBondContact OD1-O 3.22Å; N439-S533 VanDerWaalsContact OD1-O 3.09Å; S533-W535 VanDerWaalsContact O-CD1 3.23Å
534	V	90.2	Very high	81.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.2	178.6	-174.6	0	0	0	0	108.8	T341 Q342 L343 V344 F431 V436 N439	T341-V534 HydrophobicContact CG2-CG2 3.58Å; Q342-V534 PolarHBondContact O-N 2.95Å; L343-V534 HydrophobicContact CD2-CB 3.83Å; L343-V534 HydrophobicContact CD2-CG1 4.2Å; L343-V534 HydrophobicContact CD2-CG2 4.37Å; V344-V534 PolarHBondContact N-O 2.87Å; F431-V534 HydrophobicContact CD1-CG1 4.03Å; V436-V534 HydrophobicContact CB-CG2 4.39Å; V436-V534 HydrophobicContact CG2-CG1 3.92Å; V436-V534 HydrophobicContact CG2-CG2 4.11Å; N439-V534 HydrophobicContact CB-CG2 3.81Å
535	W	90.2	Very high	79.6	Confident	92 Å²	92	36.5 Å²	36.5	35%	0.348	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.6	-179.6	-61.9	75.8	0	0	0	110.2	V344 S533 P560	V344-W535 HydrophobicContact CG1-CD2 4.26Å; V344-W535 HydrophobicContact CG1-CE3 3.83Å; V344-W535 HydrophobicContact CG1-CZ3 4.11Å; S533-W535 VanDerWaalsContact O-CD1 3.23Å; W535-P560 HydrophobicContact CD2-CB 4.25Å; W535-P560 VanDerWaalsContact CE3-C 3.47Å; W535-P560 HydrophobicContact CE3-CB 3.65Å; W535-P560 HydrophobicContact CE3-CG 4.1Å; W535-P560 HydrophobicContact CH2-CB 4.24Å; W535-P560 HydrophobicContact CH2-CG 3.91Å; W535-P560 HydrophobicContact CZ3-CB 3.63Å; W535-P560 HydrophobicContact CZ3-CG 3.53Å; W535-P560 WeakPolarHBondContact CZ3-O 3.36Å
536	A	92.5	Very high	77.6	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.033	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-58.8	148.7	172.6	0	0	0	0	0	111.4	V344 C345 C429 A430 F431 N538 G561	V344-A536 PolarHBondContact O-N 3.06Å; C345-A536 HydrophobicContact CB-CB 4.28Å; C429-A536 HydrophobicContact CB-CB 4.07Å; A430-A536 CarbonylContact O-C 3.54Å; A430-A536 WeakPolarHBondContact O-CA 3.32Å; F431-A536 HydrophobicContact CD1-CB 4.48Å; F431-A536 VanDerWaalsContact CE1-CA 3.49Å; F431-A536 HydrophobicContact CE1-CB 3.86Å; F431-A536 HydrophobicContact CZ-CB 3.88Å; A536-N538 PolarHBondContact O-N 3.44Å; A536-G561 WeakPolarHBondContact O-CA 3.25Å
537	L	90.5	Very high	75.5	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.3	131.3	177.2	-64.1	175.3	0	0	0	110.8	A430 N432 L621 Y645 I647	A430-L537 HydrophobicContact CB-CB 4.36Å; A430-L537 HydrophobicContact CB-CD1 4.21Å; A430-L537 PolarHBondContact O-N 3.37Å; N432-L537 HydrophobicContact CB-CD1 4.32Å; L537-L621 HydrophobicContact CD1-CD1 4.08Å; L537-Y645 VanDerWaalsContact CD2-CB 3.45Å; L537-Y645 WeakPolarHBondContact CD2-O 3.15Å; L537-I647 HydrophobicContact CB-CD1 3.59Å; L537-I647 HydrophobicContact CB-CG1 3.94Å; L537-I647 HydrophobicContact CD1-CD1 4.03Å; L537-I647 HydrophobicContact CD1-CG1 4.06Å; L537-I647 HydrophobicContact CG-CD1 4.48Å
538	N	84.4	Confident	73.2	Confident	14 Å²	14	49.7 Å²	49.7	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	149.7	175.9	-76.4	1.2	0	0	0	111.1	A536 L556 Q559 G561 K562 F646 I647	A536-N538 PolarHBondContact O-N 3.44Å; N538-L556 HydrophobicContact CB-CD1 4.33Å; N538-Q559 PolarHBondContact ND2-O 2.76Å; N538-G561 PolarHBondContact OD1-N 3.22Å; N538-K562 WeakPolarHBondContact OD1-CB 3.44Å; N538-K562 PolarHBondContact OD1-N 3.37Å; N538-F646 HydrophobicContact CB-CD1 3.75Å; N538-F646 HydrophobicContact CB-CE1 3.95Å; N538-F646 WeakPolarHBondContact O-CA 3.26Å; N538-I647 PolarHBondContact O-N 3.43Å
539	M	80.5	Confident	70.9	Confident	80 Å²	80	56.4 Å²	56.4	39%	0.394	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.9	171.3	-65.4	-177.1	-71.3	0	0	111.9	L564 I619 I647 T649	M539-L564 HydrophobicContact CE-CD2 4.44Å; M539-L564 WeakPolarHBondContact CE-O 3.48Å; M539-L564 HydrophobicContact CG-CD2 3.54Å; M539-L564 HydrophobicContact SD-CD2 4Å; M539-I619 HydrophobicContact CG-CD1 4.46Å; M539-I619 HydrophobicContact SD-CD1 3.94Å; M539-I647 CarbonylContact C-O 3.58Å; M539-I647 WeakPolarHBondContact CA-O 3.44Å; M539-T649 HydrophobicContact CB-CG2 4.46Å; M539-T649 HydrophobicContact CG-CG2 4.2Å; M539-T649 HydrophobicContact SD-CG2 4.25Å
540	I	75.5	Confident	68.8	Low	16 Å²	16	61.3 Å²	61.3	8%	0.082	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.5	170.4	60.3	173.8	0	0	0	110.4	L556 F646 I647 K648 T649	I540-L556 HydrophobicContact CG2-CD1 3.64Å; I540-L556 HydrophobicContact CG2-CD2 3.58Å; I540-L556 HydrophobicContact CG2-CG 4.27Å; I540-F646 HydrophobicContact CD1-CB 3.71Å; I540-F646 HydrophobicContact CD1-CG 4.38Å; I540-F646 HydrophobicContact CG1-CB 3.9Å; I540-F646 HydrophobicContact CG2-CB 3.94Å; I540-F646 HydrophobicContact CG2-CD1 3.81Å; I540-F646 HydrophobicContact CG2-CG 3.95Å; I540-I647 PolarHBondContact N-O 3.05Å; I540-K648 HydrophobicContact CG1-CB 4.3Å; I540-K648 WeakPolarHBondContact O-CA 3.45Å; I540-T649 PolarHBondContact O-N 3.36Å
541	N	69.8	Low	67	Low	62 Å²	62	67.5 Å²	67.5	33%	0.332	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138.4	179.1	-72.7	-40.2	0	0	0	110.6	L543 D544 Q651	N541-L543 PolarHBondContact O-N 3.29Å; N541-L543 VanDerWaalsContact O-N 3.07Å; N541-D544 WeakPolarHBondContact O-CB 3.32Å; N541-D544 PolarHBondContact O-N 3.26Å; N541-Q651 HydrophobicContact CB-CG 4.39Å
542	A	63	Low	65.6	Low	29 Å²	29	70.5 Å²	70.5	24%	0.24	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-55.4	-29.8	179.1	0	0	0	0	0	114.5	D544 K648 T649	A542-D544 PolarHBondContact O-N 2.98Å; A542-K648 HydrophobicContact CB-CD 4.5Å; A542-K648 VanDerWaalsContact CB-CE 3.46Å; A542-K648 HydrophobicContact CB-CG 4.26Å; A542-T649 PolarHBondContact N-O 2.8Å
543	L	55.6	Low	64	Low	98 Å²	98	73.3 Å²	73.3	51%	0.513	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-69.1	-20.9	179.9	-167.3	64.2	0	0	0	113.1	N541 N545 Q546	N541-L543 PolarHBondContact O-N 3.29Å; N541-L543 VanDerWaalsContact O-N 3.07Å; L543-N545 PolarHBondContact O-N 3.37Å; L543-N545 VanDerWaalsContact O-N 3.07Å; L543-Q546 PolarHBondContact O-N 2.72Å
544	D	54.1	Low	62.1	Low	64 Å²	64	76.3 Å²	76.3	34%	0.342	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-65.4	-14.6	-176.2	-68.5	-26.3	0	0	0	113.4	N541 A542 K552	N541-D544 WeakPolarHBondContact O-CB 3.32Å; N541-D544 PolarHBondContact O-N 3.26Å; A542-D544 PolarHBondContact O-N 2.98Å; D544-K552 WeakPolarHBondContact OD1-CE 3.26Å; D544-K552 IonicContact OD1-NZ 2.63Å; D544-K552 PolarHBondContact OD1-NZ 3.39Å
545	N	52.2	Low	60.1	Low	108 Å²	108	80.9 Å²	80.9	58%	0.578	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-81.1	-14.3	178.8	-76.6	2	0	0	0	114.8	L543	L543-N545 PolarHBondContact O-N 3.37Å; L543-N545 VanDerWaalsContact O-N 3.07Å
546	Q	43.8	Very low	58.2	Low	161 Å²	161	78.1 Å²	78.1	75%	0.752	43%	0.426	S	S	*	.	S	Bend	trans	-103.8	-13.1	-164	-101.5	-179.3	6.1	0	0	118.4	L543	L543-Q546 PolarHBondContact O-N 2.72Å
547	T	41.2	Very low	56.4	Low	103 Å²	103	80.9 Å²	80.9	63%	0.632	44%	0.44	S	S	*	.	S	Bend	trans	-152.8	141.6	179.6	47.5	0	0	0	0	113.7
548	T	40.5	Very low	54.9	Low	103 Å²	103	86.5 Å²	86.5	63%	0.632	46%	0.464	S	S	*	.			trans	82.3	88.7	166.3	68.5	0	0	0	0	117.7	T550	T548-T550 PolarHBondContact O-N 2.87Å
549	T	44.4	Very low	54.3	Low	141 Å²	141	87.4 Å²	87.4	87%	0.865	47%	0.467	S	S	*	.	S	Bend	trans	-58.2	77.2	152.8	45.9	0	0	0	0	110.8
550	T	44.2	Very low	54.2	Low	110 Å²	110	84.7 Å²	84.7	68%	0.675	46%	0.456	S	S	*	.	S	Bend	trans	176.3	123.5	154	38.3	0	0	0	0	109.6	T548 K552	T548-T550 PolarHBondContact O-N 2.87Å; T550-K552 PolarHBondContact O-N 3.43Å
551	N	49.1	Very low	54.7	Low	132 Å²	132	84 Å²	84	71%	0.706	45%	0.453	S	S	*	.	S	Bend	trans	80.2	-11.6	164.3	-55.3	-15.4	0	0	0	120.8	H553 I554	N551-H553 VanDerWaalsContact C-N 3.27Å; N551-H553 PolarHBondContact O-N 3.07Å; N551-I554 PolarHBondContact O-N 3.15Å
552	K	48.8	Very low	55.5	Low	106 Å²	106	85.3 Å²	85.3	46%	0.461	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.2	179.1	-141.6	176.5	-165.1	178.3	0	115.3	D544 T550 I554	D544-K552 WeakPolarHBondContact OD1-CE 3.26Å; D544-K552 IonicContact OD1-NZ 2.63Å; D544-K552 PolarHBondContact OD1-NZ 3.39Å; T550-K552 PolarHBondContact O-N 3.43Å; K552-I554 PolarHBondContact O-N 3.3Å; K552-I554 VanDerWaalsContact O-N 3.13Å
553	H	48.2	Very low	56.9	Low	83 Å²	83	84.3 Å²	84.3	38%	0.384	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-17.3	175.9	-105.9	-81.9	0	0	0	113.9	N551 N630 F631	N551-H553 VanDerWaalsContact C-N 3.27Å; N551-H553 PolarHBondContact O-N 3.07Å; H553-N630 PolarHBondContact CE1-O 3.37Å; H553-F631 AromaticContact CE1-CD1 3.5Å; H553-F631 AromaticContact CE1-CE1 3.45Å; H553-F631 VanDerWaalsContact CE1-CE1 3.45Å; H553-F631 WeakPolarHBondContact CE1-CE1 3.28Å; H553-F631 AromaticContact CE1-CG 3.88Å; H553-F631 AromaticContact CE1-CZ 3.83Å; H553-F631 AromaticContact ND1-CD1 3.49Å; H553-F631 WeakPolarHBondContact ND1-CD1 3.22Å; H553-F631 AromaticContact ND1-CE1 3.34Å; H553-F631 VanDerWaalsContact ND1-CE1 3.34Å; H553-F631 WeakPolarHBondContact ND1-CE1 3.39Å
554	I	46.2	Very low	58.5	Low	94 Å²	94	80.1 Å²	80.1	48%	0.482	43%	0.426	S	S	.	.	H	α-helix	trans	-78.3	-37.6	-168.7	-61.8	172.4	0	0	0	112.5	N551 K552 K558	N551-I554 PolarHBondContact O-N 3.15Å; K552-I554 PolarHBondContact O-N 3.3Å; K552-I554 VanDerWaalsContact O-N 3.13Å; I554-K558 HydrophobicContact CG2-CD 4.3Å; I554-K558 VanDerWaalsContact O-CG 3.32Å; I554-K558 WeakPolarHBondContact O-CG 3.13Å; I554-K558 PolarHBondContact O-N 3Å
555	T	48	Very low	60.2	Low	96 Å²	96	81 Å²	81	59%	0.589	43%	0.426	S	S	*	.	H	α-helix	trans	-74.3	-37.1	-172.9	22	0	0	0	0	113.9	K558	T555-K558 PolarHBondContact O-N 3.46Å
556	L	51	Low	61.9	Low	33 Å²	33	78.3 Å²	78.3	17%	0.173	41%	0.414	C	S	.	.	H	α-helix	trans	-70.9	-39.3	-179.2	-167	68.6	0	0	0	112.2	N538 I540 K558 Q559 F631 F646	N538-L556 HydrophobicContact CB-CD1 4.33Å; I540-L556 HydrophobicContact CG2-CD1 3.64Å; I540-L556 HydrophobicContact CG2-CD2 3.58Å; I540-L556 HydrophobicContact CG2-CG 4.27Å; L556-K558 VanDerWaalsContact C-N 3.26Å; L556-K558 PolarHBondContact O-N 3.46Å; L556-Q559 PolarHBondContact O-N 2.77Å; L556-F631 HydrophobicContact CB-CE1 4.18Å; L556-F631 HydrophobicContact CD2-CD1 4Å; L556-F631 HydrophobicContact CD2-CE1 3.46Å; L556-F631 VanDerWaalsContact CD2-CE1 3.46Å; L556-F631 HydrophobicContact CD2-CE2 4.15Å; L556-F631 HydrophobicContact CD2-CZ 3.54Å; L556-F631 HydrophobicContact CG-CE1 4.39Å; L556-F646 HydrophobicContact CD1-CD1 4.21Å; L556-F646 HydrophobicContact CD1-CE1 3.99Å; L556-F646 HydrophobicContact CD2-CD1 3.71Å; L556-F646 HydrophobicContact CD2-CE1 3.24Å; L556-F646 HydrophobicContact CD2-CE2 4.1Å; L556-F646 HydrophobicContact CD2-CG 4.33Å; L556-F646 HydrophobicContact CD2-CZ 3.45Å; L556-F646 VanDerWaalsContact CD2-CZ 3.45Å; L556-F646 HydrophobicContact CG-CD1 4.23Å; L556-F646 HydrophobicContact CG-CE1 3.59Å; L556-F646 HydrophobicContact CG-CZ 4.11Å
557	M	53.8	Low	63.9	Low	63 Å²	63	70.9 Å²	70.9	31%	0.31	38%	0.379	S	S	.	.	H	α-helix	trans	-69.6	-22.3	177	-68.7	-168.7	177.6	0	0	112.8	Q559 F631 F633	M557-Q559 VanDerWaalsContact C-N 3.28Å; M557-Q559 PolarHBondContact O-N 3.16Å; M557-F631 HydrophobicContact CE-CD1 3.99Å; M557-F631 HydrophobicContact CG-CD1 4.48Å; M557-F633 HydrophobicContact CB-CE2 4.42Å; M557-F633 HydrophobicContact CG-CE2 4.4Å
558	K	59.3	Low	65.9	Low	120 Å²	120	67 Å²	67	52%	0.522	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.8	177.5	-82.7	-175.5	176.7	-159.1	0	113.7	E356 I554 T555 L556	E356-K558 IonicContact OE2-NZ 2.95Å; E356-K558 PolarHBondContact OE2-NZ 3.02Å; I554-K558 HydrophobicContact CG2-CD 4.3Å; I554-K558 VanDerWaalsContact O-CG 3.32Å; I554-K558 WeakPolarHBondContact O-CG 3.13Å; I554-K558 PolarHBondContact O-N 3Å; T555-K558 PolarHBondContact O-N 3.46Å; L556-K558 VanDerWaalsContact C-N 3.26Å; L556-K558 PolarHBondContact O-N 3.46Å
559	Q	72	Confident	67.7	Low	33 Å²	33	62.3 Å²	62.3	15%	0.154	33%	0.326	C	S	.	.	S	Bend	trans	-131	60.4	-173.3	-62.9	-173	-11.9	0	0	113.6	Y348 N538 L556 M557 K562	Y348-Q559 HydrophobicContact CD1-CB 4.45Å; Y348-Q559 HydrophobicContact CD1-CG 4.05Å; Y348-Q559 HydrophobicContact CD2-CB 3.63Å; Y348-Q559 HydrophobicContact CD2-CG 3.84Å; Y348-Q559 HydrophobicContact CE1-CG 4.49Å; Y348-Q559 HydrophobicContact CE2-CB 3.69Å; Y348-Q559 HydrophobicContact CE2-CG 4.29Å; Y348-Q559 HydrophobicContact CG-CB 4.05Å; Y348-Q559 HydrophobicContact CG-CG 3.72Å; N538-Q559 PolarHBondContact ND2-O 2.76Å; L556-Q559 PolarHBondContact O-N 2.77Å; M557-Q559 VanDerWaalsContact C-N 3.28Å; M557-Q559 PolarHBondContact O-N 3.16Å; Q559-K562 HydrophobicContact CB-CD 4.45Å
560	P	77.8	Confident	69	Low	23 Å²	23	57.3 Å²	57.3	15%	0.149	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	143.7	-179.4	28.1	-34.6	0	0	0	112.7	Y348 W535 K562 F633	Y348-P560 WeakPolarHBondContact OH-CD 3.42Å; Y348-P560 PolarHBondContact OH-O 2.95Å; W535-P560 HydrophobicContact CD2-CB 4.25Å; W535-P560 VanDerWaalsContact CE3-C 3.47Å; W535-P560 HydrophobicContact CE3-CB 3.65Å; W535-P560 HydrophobicContact CE3-CG 4.1Å; W535-P560 HydrophobicContact CH2-CB 4.24Å; W535-P560 HydrophobicContact CH2-CG 3.91Å; W535-P560 HydrophobicContact CZ3-CB 3.63Å; W535-P560 HydrophobicContact CZ3-CG 3.53Å; W535-P560 WeakPolarHBondContact CZ3-O 3.36Å; P560-K562 VanDerWaalsContact C-N 3.3Å; P560-K562 PolarHBondContact O-N 3.48Å; P560-F633 HydrophobicContact CB-CZ 4.39Å; P560-F633 HydrophobicContact CG-CZ 4.38Å
561	G	84.9	Confident	70.3	Confident	2 Å²	2	56.2 Å²	56.2	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	30.3	178.8	0	0	0	0	0	114.3	C345 R346 A536 N538 A563	C345-G561 CarbonylContact C-O 3.42Å; R346-G561 PolarHBondContact N-O 2.83Å; A536-G561 WeakPolarHBondContact O-CA 3.25Å; N538-G561 PolarHBondContact OD1-N 3.22Å; G561-A563 PolarHBondContact O-N 3.22Å
562	K	88.2	Confident	71.2	Confident	89 Å²	89	50.6 Å²	50.6	39%	0.387	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-67.6	126	179.9	-175	178.2	-177	169.6	0	109.7	R346 Y348 N538 Q559 P560	R346-K562 CarbonylContact O-C 3.56Å; R346-K562 WeakPolarHBondContact O-CA 3.03Å; Y348-K562 HydrophobicContact CD2-CB 4.34Å; Y348-K562 HydrophobicContact CD2-CG 4.31Å; Y348-K562 HydrophobicContact CE2-CB 4.24Å; N538-K562 WeakPolarHBondContact OD1-CB 3.44Å; N538-K562 PolarHBondContact OD1-N 3.37Å; Q559-K562 HydrophobicContact CB-CD 4.45Å; P560-K562 VanDerWaalsContact C-N 3.3Å; P560-K562 PolarHBondContact O-N 3.48Å
563	A	91	Very high	71.8	Confident	8 Å²	8	46.2 Å²	46.2	7%	0.066	24%	0.235	C	C	.	.			trans	-54.4	141.6	171.7	0	0	0	0	0	110.7	C345 R346 A427 G561 K565 V566	C345-A563 VanDerWaalsContact SG-CB 3.6Å; R346-A563 PolarHBondContact O-N 3.42Å; A427-A563 HydrophobicContact CB-CB 3.81Å; G561-A563 PolarHBondContact O-N 3.22Å; A563-K565 VanDerWaalsContact C-N 3.27Å; A563-K565 PolarHBondContact O-N 3.16Å; A563-V566 HydrophobicContact CB-CG2 3.86Å
564	L	90.3	Very high	72.2	Confident	11 Å²	11	47.3 Å²	47.3	6%	0.058	24%	0.244	C	C	.	.	S	Bend	trans	-62.9	-41	175	-63.7	179.8	0	0	0	110.9	Y413 L428 A430 M539 I619 I647	Y413-L564 HydrophobicContact CD1-CD1 4.07Å; Y413-L564 HydrophobicContact CE1-CD1 3.51Å; L428-L564 HydrophobicContact CD2-CD1 4.43Å; L428-L564 WeakPolarHBondContact O-CB 3.41Å; L428-L564 PolarHBondContact O-N 3.31Å; A430-L564 HydrophobicContact CB-CD1 3.69Å; A430-L564 HydrophobicContact CB-CG 4.44Å; M539-L564 HydrophobicContact CE-CD2 4.44Å; M539-L564 WeakPolarHBondContact CE-O 3.48Å; M539-L564 HydrophobicContact CG-CD2 3.54Å; M539-L564 HydrophobicContact SD-CD2 4Å; L564-I619 HydrophobicContact CD1-CD1 3.87Å; L564-I619 HydrophobicContact CD2-CD1 3.93Å; L564-I619 HydrophobicContact CG-CD1 4.35Å; L564-I647 HydrophobicContact CD1-CD1 4.42Å; L564-I647 HydrophobicContact CD2-CD1 3.82Å
565	K	88.6	Confident	72.5	Confident	81 Å²	81	47.8 Å²	47.8	35%	0.352	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.8	175.3	-173.5	74.8	172.7	-165.3	0	109.7	A427 L428 A563 F567 F655	A427-K565 CarbonylContact C-O 3.43Å; A427-K565 VanDerWaalsContact CA-O 3.25Å; A427-K565 WeakPolarHBondContact CA-O 3.44Å; L428-K565 PolarHBondContact N-O 3.22Å; A563-K565 VanDerWaalsContact C-N 3.27Å; A563-K565 PolarHBondContact O-N 3.16Å; K565-F567 HydrophobicContact CG-CD1 4.03Å; K565-F655 HydrophobicContact CB-CD1 3.87Å; K565-F655 HydrophobicContact CB-CD2 4.06Å; K565-F655 HydrophobicContact CB-CE1 3.82Å; K565-F655 HydrophobicContact CB-CE2 4.07Å; K565-F655 HydrophobicContact CB-CG 3.93Å; K565-F655 HydrophobicContact CB-CZ 3.9Å; K565-F655 HydrophobicContact CD-CB 4.1Å; K565-F655 HydrophobicContact CD-CD1 3.63Å; K565-F655 HydrophobicContact CD-CE1 4.21Å; K565-F655 HydrophobicContact CD-CG 3.97Å; K565-F655 HydrophobicContact CG-CD1 3.47Å; K565-F655 VanDerWaalsContact CG-CD1 3.47Å; K565-F655 HydrophobicContact CG-CE1 3.53Å; K565-F655 HydrophobicContact CG-CG 3.99Å; K565-F655 HydrophobicContact CG-CZ 4.13Å
566	V	88.4	Confident	72.7	Confident	52 Å²	52	50 Å²	50	32%	0.315	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139	162.4	176.5	0	0	0	0	109.2	A347 F392 L425 Y426 A427 A563	A347-V566 HydrophobicContact CB-CG2 3.62Å; F392-V566 HydrophobicContact CE1-CG1 4.37Å; F392-V566 HydrophobicContact CE2-CG1 4.48Å; F392-V566 HydrophobicContact CE2-CG2 3.72Å; F392-V566 HydrophobicContact CZ-CB 4.31Å; F392-V566 HydrophobicContact CZ-CG1 3.64Å; F392-V566 HydrophobicContact CZ-CG2 3.67Å; L425-V566 HydrophobicContact CD2-CG1 4.38Å; Y426-V566 WeakPolarHBondContact O-CA 3.06Å; A427-V566 HydrophobicContact CB-CG2 4.11Å; A563-V566 HydrophobicContact CB-CG2 3.86Å
567	F	86.2	Confident	72.8	Confident	5 Å²	5	54.6 Å²	54.6	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	156.9	-179.2	61	-85.2	0	0	0	111.2	L415 Y426 K565 M569 L572 I605	L415-F567 HydrophobicContact CD1-CE1 4.2Å; L415-F567 HydrophobicContact CD1-CZ 3.73Å; Y426-F567 HydrophobicContact CD2-CE2 4.31Å; Y426-F567 HydrophobicContact CG-CE2 4.42Å; Y426-F567 PolarHBondContact N-O 2.78Å; Y426-F567 PolarHBondContact O-N 3.43Å; Y426-F567 VanDerWaalsContact O-O 3.13Å; K565-F567 HydrophobicContact CG-CD1 4.03Å; F567-M569 HydrophobicContact CE2-CE 4.07Å; F567-L572 HydrophobicContact CB-CD2 4.27Å; F567-L572 HydrophobicContact CD2-CD1 3.72Å; F567-L572 HydrophobicContact CD2-CD2 3.93Å; F567-L572 HydrophobicContact CD2-CG 3.84Å; F567-L572 HydrophobicContact CE2-CD1 3.74Å; F567-L572 HydrophobicContact CE2-CG 4.38Å; F567-L572 HydrophobicContact CG-CD2 4.22Å; F567-I605 HydrophobicContact CE2-CD1 4.45Å; F567-I605 HydrophobicContact CZ-CD1 3.9Å
568	T	83.9	Confident	72.9	Confident	23 Å²	23	58.1 Å²	58.1	14%	0.141	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	161.2	161.3	69.1	0	0	0	0	109.7	G424 L425 N570 D571 L572	G424-T568 WeakPolarHBondContact O-CA 3.18Å; G424-T568 WeakPolarHBondContact O-CB 3.35Å; L425-T568 HydrophobicContact CD2-CG2 3.57Å; L425-T568 HydrophobicContact CG-CG2 4.29Å; T568-N570 PolarHBondContact O-N 2.63Å; T568-N570 PolarHBondContact OG1-N 3.34Å; T568-D571 WeakPolarHBondContact CB-OD2 3.34Å; T568-D571 PolarHBondContact N-OD2 3.41Å; T568-D571 WeakPolarHBondContact O-CB 3.35Å; T568-D571 PolarHBondContact O-N 3.08Å; T568-D571 VanDerWaalsContact O-N 3.15Å; T568-D571 PolarHBondContact OG1-N 3.15Å; T568-D571 VanDerWaalsContact OG1-N 3.08Å; T568-D571 PolarHBondContact OG1-OD1 3.26Å; T568-D571 PolarHBondContact OG1-OD2 3.06Å; T568-L572 PolarHBondContact O-N 3.26Å
569	M	78.2	Confident	73	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-25.6	172.7	-71.1	-59.7	166	0	0	112.6	Y426 F567 L572 N573 E581 P583 I605 T607 Y613	Y426-M569 HydrophobicContact CD2-CE 4.15Å; Y426-M569 HydrophobicContact CD2-CG 4.32Å; Y426-M569 HydrophobicContact CE2-CE 4.17Å; Y426-M569 HydrophobicContact CE2-CG 3.78Å; F567-M569 HydrophobicContact CE2-CE 4.07Å; M569-L572 PolarHBondContact O-N 2.81Å; M569-L572 HydrophobicContact SD-CD1 3.81Å; M569-N573 PolarHBondContact O-N 2.71Å; M569-N573 VanDerWaalsContact O-N 3.13Å; M569-N573 PolarHBondContact O-ND2 2.89Å; M569-E581 HydrophobicContact CB-CB 4.18Å; M569-E581 HydrophobicContact CG-CB 4.38Å; M569-E581 HydrophobicContact CG-CG 4.5Å; M569-E581 WeakPolarHBondContact CG-O 3.48Å; M569-P583 HydrophobicContact CE-CB 3.54Å; M569-P583 VanDerWaalsContact CE-CD 3.43Å; M569-P583 HydrophobicContact CE-CG 3.5Å; M569-P583 VanDerWaalsContact CE-CG 3.5Å; M569-I605 HydrophobicContact CE-CG2 4.37Å; M569-T607 HydrophobicContact CE-CG2 4.4Å; M569-T607 HydrophobicContact SD-CG2 4.35Å; M569-Y613 HydrophobicContact SD-CE2 4.12Å
570	N	71.8	Confident	72.9	Confident	36 Å²	36	60.4 Å²	60.4	19%	0.193	31%	0.312	C	S	.	.	H	α-helix	trans	-70.7	-36.8	174.4	-59.6	-17.3	0	0	0	111.7	T568 L572 N573 N574 I577 S579	T568-N570 PolarHBondContact O-N 2.63Å; T568-N570 PolarHBondContact OG1-N 3.34Å; N570-L572 PolarHBondContact O-N 3.17Å; N570-N573 PolarHBondContact O-N 3.09Å; N570-N574 PolarHBondContact O-N 3.14Å; N570-I577 PolarHBondContact OD1-O 2.55Å; N570-S579 VanDerWaalsContact OD1-CB 3.24Å; N570-S579 WeakPolarHBondContact OD1-CB 3.33Å; N570-S579 PolarHBondContact OD1-N 3.06Å; N570-S579 PolarHBondContact OD1-OG 3.47Å
571	D	70.7	Confident	73	Confident	86 Å²	86	59.7 Å²	59.7	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-29.4	175.5	-57.2	-32.4	0	0	0	111.1	T568	T568-D571 WeakPolarHBondContact CB-OD2 3.34Å; T568-D571 PolarHBondContact N-OD2 3.41Å; T568-D571 WeakPolarHBondContact O-CB 3.35Å; T568-D571 PolarHBondContact O-N 3.08Å; T568-D571 VanDerWaalsContact O-N 3.15Å; T568-D571 PolarHBondContact OG1-N 3.15Å; T568-D571 VanDerWaalsContact OG1-N 3.08Å; T568-D571 PolarHBondContact OG1-OD1 3.26Å; T568-D571 PolarHBondContact OG1-OD2 3.06Å
572	L	67.3	Low	73	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-79.2	-33.7	175.8	-54.8	-175.9	0	0	0	113.1	F567 T568 M569 N570 Y613 I657	F567-L572 HydrophobicContact CB-CD2 4.27Å; F567-L572 HydrophobicContact CD2-CD1 3.72Å; F567-L572 HydrophobicContact CD2-CD2 3.93Å; F567-L572 HydrophobicContact CD2-CG 3.84Å; F567-L572 HydrophobicContact CE2-CD1 3.74Å; F567-L572 HydrophobicContact CE2-CG 4.38Å; F567-L572 HydrophobicContact CG-CD2 4.22Å; T568-L572 PolarHBondContact O-N 3.26Å; M569-L572 PolarHBondContact O-N 2.81Å; M569-L572 HydrophobicContact SD-CD1 3.81Å; N570-L572 PolarHBondContact O-N 3.17Å; L572-Y613 HydrophobicContact CB-CD1 3.89Å; L572-Y613 HydrophobicContact CB-CE1 3.72Å; L572-Y613 HydrophobicContact CD1-CD1 3.99Å; L572-Y613 HydrophobicContact CD1-CD2 4.32Å; L572-Y613 HydrophobicContact CD1-CE1 4.31Å; L572-Y613 HydrophobicContact CD1-CG 3.99Å; L572-I657 HydrophobicContact CB-CD1 3.91Å; L572-I657 HydrophobicContact CD2-CD1 3.26Å; L572-I657 HydrophobicContact CD2-CG1 3.72Å; L572-I657 HydrophobicContact CG-CD1 4.15Å
573	N	61.2	Low	73.1	Confident	13 Å²	13	58 Å²	58	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-83.8	-10	-175.2	-83.4	-26.5	0	0	0	114.7	M569 N570 E575 E581 Y613 Q660	M569-N573 PolarHBondContact O-N 2.71Å; M569-N573 VanDerWaalsContact O-N 3.13Å; M569-N573 PolarHBondContact O-ND2 2.89Å; N570-N573 PolarHBondContact O-N 3.09Å; N573-E575 HydrophobicContact CB-CB 3.93Å; N573-E575 HydrophobicContact CB-CG 3.96Å; N573-E575 PolarHBondContact O-N 3.24Å; N573-E581 PolarHBondContact ND2-OE2 2.96Å; N573-E581 VanDerWaalsContact ND2-OE2 3.15Å; N573-Y613 PolarHBondContact ND2-OH 2.65Å; N573-Y613 VanDerWaalsContact ND2-OH 3.1Å; N573-Y613 WeakPolarHBondContact OD1-CE1 3.35Å; N573-Y613 PolarHBondContact OD1-OH 3.45Å; N573-Q660 PolarHBondContact OD1-NE2 2.89Å; N573-Q660 PolarHBondContact OD1-OE1 3.35Å
574	N	57.8	Low	72.9	Confident	107 Å²	107	60 Å²	60	57%	0.572	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	19.2	-164	-72.4	-21.2	0	0	0	113	N570	N570-N574 PolarHBondContact O-N 3.14Å
575	E	52.2	Low	72.9	Confident	103 Å²	103	61 Å²	61	48%	0.481	32%	0.317	S	S	.	.			trans	-90.5	130.7	-178.4	-78.5	-173.2	172.6	0	0	110.2	N573 I577	N573-E575 HydrophobicContact CB-CB 3.93Å; N573-E575 HydrophobicContact CB-CG 3.96Å; N573-E575 PolarHBondContact O-N 3.24Å; E575-I577 VanDerWaalsContact C-N 3.27Å; E575-I577 PolarHBondContact O-N 2.87Å
576	T	51.4	Low	73.2	Confident	143 Å²	143	57.4 Å²	57.4	88%	0.877	30%	0.302	S	S	*	.	S	Bend	trans	-75.9	-16.9	175.8	51.7	0	0	0	0	113
577	I	54.3	Low	73.3	Confident	130 Å²	130	56.1 Å²	56.1	67%	0.667	29%	0.294	S	S	*	.	S	Bend	trans	-87.4	133.1	-177.9	-57.8	174	0	0	0	108.7	N570 E575 S579	N570-I577 PolarHBondContact OD1-O 2.55Å; E575-I577 VanDerWaalsContact C-N 3.27Å; E575-I577 PolarHBondContact O-N 2.87Å; I577-S579 PolarHBondContact O-N 2.76Å
578	I	55.9	Low	73.5	Confident	136 Å²	136	56.1 Å²	56.1	70%	0.697	30%	0.295	S	S	*	.			trans	-59.9	102.5	178.1	-57.4	171.5	0	0	0	109.3
579	S	60.4	Low	73.8	Confident	16 Å²	16	56.8 Å²	56.8	11%	0.112	30%	0.296	C	S	.	.			trans	-72.6	130.4	175	71.7	0	0	0	0	109.2	N570 I577 E581	N570-S579 VanDerWaalsContact OD1-CB 3.24Å; N570-S579 WeakPolarHBondContact OD1-CB 3.33Å; N570-S579 PolarHBondContact OD1-N 3.06Å; N570-S579 PolarHBondContact OD1-OG 3.47Å; I577-S579 PolarHBondContact O-N 2.76Å; S579-E581 PolarHBondContact O-N 3.11Å; S579-E581 VanDerWaalsContact O-N 3.08Å
580	K	70.9	Confident	74.3	Confident	185 Å²	185	57.6 Å²	57.6	80%	0.804	30%	0.299	S	S	*	.			trans	-77	25.8	166.7	-65.9	-176.8	177.8	-179.9	0	111.9	N608	K580-N608 PolarHBondContact O-ND2 3.46Å
581	E	79.7	Confident	75.1	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.037	29%	0.29	C	S	.	.			trans	-84.5	131.1	-174.1	-166	168.1	159.9	0	0	109.2	M569 N573 S579 T607 N608 K609 T611 Y613	M569-E581 HydrophobicContact CB-CB 4.18Å; M569-E581 HydrophobicContact CG-CB 4.38Å; M569-E581 HydrophobicContact CG-CG 4.5Å; M569-E581 WeakPolarHBondContact CG-O 3.48Å; N573-E581 PolarHBondContact ND2-OE2 2.96Å; N573-E581 VanDerWaalsContact ND2-OE2 3.15Å; S579-E581 PolarHBondContact O-N 3.11Å; S579-E581 VanDerWaalsContact O-N 3.08Å; E581-T607 HydrophobicContact CG-CG2 3.88Å; E581-T607 WeakPolarHBondContact CG-OG1 3.48Å; E581-T607 WeakPolarHBondContact OE1-CG2 3.38Å; E581-T607 PolarHBondContact OE1-OG1 2.94Å; E581-N608 WeakPolarHBondContact CA-OD1 3.49Å; E581-K609 HydrophobicContact CB-CD 4.02Å; E581-K609 HydrophobicContact CB-CG 4.33Å; E581-K609 HydrophobicContact CG-CB 4.14Å; E581-K609 HydrophobicContact CG-CD 4.04Å; E581-K609 HydrophobicContact CG-CG 4.06Å; E581-K609 IonicContact OE2-NZ 2.71Å; E581-T611 WeakPolarHBondContact OE1-CB 3.17Å; E581-T611 PolarHBondContact OE1-OG1 3.31Å; E581-Y613 VanDerWaalsContact CD-OH 3.23Å; E581-Y613 VanDerWaalsContact OE1-CE2 3.24Å; E581-Y613 WeakPolarHBondContact OE1-CE2 3.26Å; E581-Y613 PolarHBondContact OE1-OH 3.42Å; E581-Y613 PolarHBondContact OE2-OH 3.45Å
582	T	85.6	Confident	75.3	Confident	49 Å²	49	57.1 Å²	57.1	30%	0.301	30%	0.296	S	S	.	.			trans	-133.8	135.3	-176.5	57.7	0	0	0	0	108.8	T607 N608	T582-T607 VanDerWaalsContact O-CA 3.23Å; T582-T607 WeakPolarHBondContact O-CA 3.27Å; T582-T607 VanDerWaalsContact O-CB 3.24Å; T582-T607 WeakPolarHBondContact O-CB 3.5Å; T582-N608 PolarHBondContact N-OD1 2.86Å; T582-N608 PolarHBondContact O-N 3.22Å; T582-N608 PolarHBondContact O-OD1 2.99Å; T582-N608 PolarHBondContact OG1-ND2 2.97Å; T582-N608 VanDerWaalsContact OG1-ND2 3.11Å
583	P	89.3	Confident	75.2	Confident	7 Å²	7	57.7 Å²	57.7	5%	0.045	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	143.8	175.2	27.8	-26.7	0	0	0	109.3	I396 L415 Y426 M569 I605 V606	I396-P583 HydrophobicContact CD1-CG 3.73Å; I396-P583 WeakPolarHBondContact CG2-O 3.41Å; L415-P583 HydrophobicContact CD2-CB 3.67Å; L415-P583 HydrophobicContact CD2-CG 3.88Å; Y426-P583 HydrophobicContact CD1-CG 3.69Å; Y426-P583 HydrophobicContact CE1-CG 3.5Å; Y426-P583 VanDerWaalsContact CE1-CG 3.5Å; Y426-P583 HydrophobicContact CE2-CG 4.38Å; Y426-P583 HydrophobicContact CG-CG 4.22Å; Y426-P583 VanDerWaalsContact OH-CD 3.29Å; Y426-P583 WeakPolarHBondContact OH-CD 3.46Å; M569-P583 HydrophobicContact CE-CB 3.54Å; M569-P583 VanDerWaalsContact CE-CD 3.43Å; M569-P583 HydrophobicContact CE-CG 3.5Å; M569-P583 VanDerWaalsContact CE-CG 3.5Å; P583-I605 HydrophobicContact CB-CG2 3.72Å; P583-V606 CarbonylContact C-O 3.56Å; P583-V606 WeakPolarHBondContact CA-O 3.49Å
584	I	87.7	Confident	75.2	Confident	50 Å²	50	62.3 Å²	62.3	26%	0.256	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-46.5	178.3	-67.1	-178.8	0	0	0	109.8	V606 N608 I670 I671 Q672	I584-V606 PolarHBondContact N-O 3.47Å; I584-N608 VanDerWaalsContact CD1-CA 3.45Å; I584-N608 HydrophobicContact CD1-CB 3.85Å; I584-N608 HydrophobicContact CG1-CB 4.24Å; I584-I670 HydrophobicContact CD1-CG2 4.29Å; I584-I671 VanDerWaalsContact CD1-O 3.24Å; I584-I671 WeakPolarHBondContact CD1-O 3.32Å; I584-Q672 WeakPolarHBondContact CG2-O 3.11Å
585	D	90.3	Very high	75.1	Confident	31 Å²	31	65.4 Å²	65.4	17%	0.166	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	166	-171.6	-168.1	19	0	0	0	110	V606 S673 I674	D585-V606 HydrophobicContact CB-CG2 3.71Å; D585-V606 VanDerWaalsContact O-CG2 3.28Å; D585-V606 WeakPolarHBondContact O-CG2 3.38Å; D585-V606 PolarHBondContact O-N 2.83Å; D585-S673 VanDerWaalsContact OD2-CA 3.3Å; D585-S673 WeakPolarHBondContact OD2-CA 3.5Å; D585-S673 WeakPolarHBondContact OD2-CB 3.11Å; D585-I674 HydrophobicContact CB-CG2 4.46Å; D585-I674 PolarHBondContact OD2-N 3.21Å
586	F	93.6	Very high	75.5	Confident	7 Å²	7	65.1 Å²	65.1	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.2	170.8	82	-84.7	0	0	0	112.4	A397 S399 L415 V588 I603 Y604 I605	A397-F586 HydrophobicContact CB-CD1 3.74Å; A397-F586 HydrophobicContact CB-CE1 4.09Å; A397-F586 WeakPolarHBondContact O-CE1 3.35Å; S399-F586 VanDerWaalsContact N-CZ 3.32Å; L415-F586 HydrophobicContact CB-CD1 3.89Å; L415-F586 HydrophobicContact CB-CE1 3.85Å; F586-V588 HydrophobicContact CD2-CG2 3.92Å; F586-V588 HydrophobicContact CE2-CG2 3.48Å; F586-V588 VanDerWaalsContact CE2-CG2 3.48Å; F586-I603 HydrophobicContact CB-CG2 4.33Å; F586-I603 HydrophobicContact CD2-CG2 3.72Å; F586-I603 HydrophobicContact CE2-CG2 4.42Å; F586-I603 HydrophobicContact CG-CG2 4.33Å; F586-Y604 CarbonylContact C-O 3.46Å; F586-Y604 WeakPolarHBondContact CA-O 3.43Å; F586-Y604 VanDerWaalsContact CB-O 3.26Å; F586-Y604 WeakPolarHBondContact CB-O 3.35Å; F586-I605 HydrophobicContact CB-CG1 4.12Å
587	T	90.8	Very high	76.1	Confident	24 Å²	24	63.7 Å²	63.7	15%	0.147	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159	170.6	-167.8	0	0	0	0	110.7	Y604 I674 K676 L683	T587-Y604 HydrophobicContact CG2-CD2 4.11Å; T587-Y604 PolarHBondContact N-O 2.84Å; T587-Y604 PolarHBondContact O-N 3.36Å; T587-I674 HydrophobicContact CG2-CD1 4.39Å; T587-I674 HydrophobicContact CG2-CG1 4.06Å; T587-I674 HydrophobicContact CG2-CG2 4.16Å; T587-K676 HydrophobicContact CG2-CB 4.09Å; T587-L683 HydrophobicContact CG2-CD2 3.84Å
588	V	91.5	Very high	76.7	Confident	6 Å²	6	64.4 Å²	64.4	4%	0.036	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.9	-173.5	-170.8	0	0	0	0	109.7	Y413 F586 W590 D601 I602 I603	Y413-V588 HydrophobicContact CD2-CG1 4.33Å; Y413-V588 HydrophobicContact CD2-CG2 4.1Å; Y413-V588 HydrophobicContact CE2-CG1 4.31Å; F586-V588 HydrophobicContact CD2-CG2 3.92Å; F586-V588 HydrophobicContact CE2-CG2 3.48Å; F586-V588 VanDerWaalsContact CE2-CG2 3.48Å; V588-W590 HydrophobicContact CB-CD2 4.16Å; V588-W590 HydrophobicContact CB-CZ2 4.02Å; V588-W590 HydrophobicContact CG1-CD2 3.63Å; V588-W590 HydrophobicContact CG1-CE3 3.87Å; V588-W590 HydrophobicContact CG1-CG 4.09Å; V588-W590 HydrophobicContact CG1-CH2 4.33Å; V588-W590 HydrophobicContact CG1-CZ2 4.1Å; V588-W590 HydrophobicContact CG1-CZ3 4.22Å; V588-W590 HydrophobicContact CG2-CZ2 4.19Å; V588-D601 HydrophobicContact CG1-CB 4.31Å; V588-I602 CarbonylContact C-O 3.38Å; V588-I603 HydrophobicContact CG1-CG1 4.37Å; V588-I603 HydrophobicContact CG2-CG1 4.28Å
589	H	89.3	Confident	77.8	Confident	36 Å²	36	60.3 Å²	60.3	17%	0.167	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	95	160.3	-179.9	-63.8	0	0	0	108.8	I602 Y604 K676	H589-I602 HydrophobicContact CB-CB 4.2Å; H589-I602 PolarHBondContact N-O 2.89Å; H589-I602 PolarHBondContact O-N 3.44Å; H589-Y604 HydrophobicContact CB-CE2 3.88Å; H589-K676 HydrophobicContact CB-CD 4.11Å; H589-K676 WeakPolarHBondContact CD2-CE 3.17Å; H589-K676 PolarHBondContact CD2-NZ 3.32Å
590	W	89.1	Confident	78.9	Confident	22 Å²	22	59.8 Å²	59.8	8%	0.083	31%	0.309	C	S	.	.			trans	-66.3	136.7	178.9	-56.2	100.7	0	0	0	112.2	V402 Y413 V588 N592 L621 K622	V402-W590 HydrophobicContact CB-CZ2 4.42Å; V402-W590 HydrophobicContact CG1-CD2 4.47Å; V402-W590 HydrophobicContact CG1-CZ2 3.95Å; V402-W590 HydrophobicContact CG2-CD2 3.87Å; V402-W590 HydrophobicContact CG2-CE3 3.99Å; V402-W590 HydrophobicContact CG2-CH2 3.68Å; V402-W590 HydrophobicContact CG2-CZ2 3.57Å; V402-W590 HydrophobicContact CG2-CZ3 3.89Å; Y413-W590 AromaticContact CD2-CH2 3.6Å; Y413-W590 HydrophobicContact CD2-CH2 3.6Å; Y413-W590 AromaticContact CD2-CZ3 3.74Å; Y413-W590 HydrophobicContact CD2-CZ3 3.74Å; Y413-W590 HydrophobicContact CE2-CE3 4.31Å; Y413-W590 AromaticContact CE2-CH2 3.89Å; Y413-W590 HydrophobicContact CE2-CH2 3.89Å; Y413-W590 AromaticContact CE2-CZ3 3.5Å; Y413-W590 HydrophobicContact CE2-CZ3 3.5Å; Y413-W590 VanDerWaalsContact CE2-CZ3 3.5Å; V588-W590 HydrophobicContact CB-CD2 4.16Å; V588-W590 HydrophobicContact CB-CZ2 4.02Å; V588-W590 HydrophobicContact CG1-CD2 3.63Å; V588-W590 HydrophobicContact CG1-CE3 3.87Å; V588-W590 HydrophobicContact CG1-CG 4.09Å; V588-W590 HydrophobicContact CG1-CH2 4.33Å; V588-W590 HydrophobicContact CG1-CZ2 4.1Å; V588-W590 HydrophobicContact CG1-CZ3 4.22Å; V588-W590 HydrophobicContact CG2-CZ2 4.19Å; W590-N592 PolarHBondContact O-N 3.39Å; W590-L621 HydrophobicContact CZ3-CB 4.28Å; W590-L621 HydrophobicContact CZ3-CD2 4.19Å; W590-K622 HydrophobicContact CB-CD 4.21Å; W590-K622 HydrophobicContact CE3-CD 4.44Å; W590-K622 HydrophobicContact CE3-CG 4.18Å; W590-K622 HydrophobicContact CG-CD 4.5Å
591	A	87.5	Confident	79.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.			trans	-66.1	129.5	171.5	0	0	0	0	0	110.4	E599 D601 K620 K622 Q623	A591-E599 WeakPolarHBondContact CA-OE1 2.93Å; A591-E599 HydrophobicContact CB-CB 4.31Å; A591-E599 HydrophobicContact CB-CG 3.79Å; A591-D601 PolarHBondContact N-OD1 3.04Å; A591-K620 HydrophobicContact CB-CD 4.43Å; A591-K620 HydrophobicContact CB-CG 3.92Å; A591-K622 WeakPolarHBondContact O-CE 3.43Å; A591-K622 PolarHBondContact O-NZ 3.01Å; A591-K622 VanDerWaalsContact O-NZ 3.11Å; A591-Q623 PolarHBondContact O-NE2 3.14Å
592	N	75	Confident	80.3	Confident	111 Å²	111	51.8 Å²	51.8	59%	0.594	28%	0.275	S	S	*	.			trans	-103.6	-32.8	-176.5	-74	-22.2	0	0	0	112.8	W590 V594 E599 K622	W590-N592 PolarHBondContact O-N 3.39Å; N592-V594 PolarHBondContact O-N 3.1Å; N592-E599 PolarHBondContact N-OE1 3.38Å; N592-E599 VanDerWaalsContact N-OE1 3.15Å; N592-E599 PolarHBondContact N-OE2 3.47Å; N592-K622 PolarHBondContact OD1-NZ 3.48Å
593	S	66	Low	80.6	Confident	28 Å²	28	49.5 Å²	49.5	20%	0.196	26%	0.261	C	S	.	.			trans	-76.6	121.9	-176.7	-173.6	0	0	0	0	111.2	Q595 D596 E599 K620	S593-Q595 VanDerWaalsContact C-N 3.33Å; S593-Q595 PolarHBondContact OG-N 3.28Å; S593-D596 WeakPolarHBondContact CB-OD2 3.13Å; S593-D596 WeakPolarHBondContact OG-CB 3.25Å; S593-D596 PolarHBondContact OG-N 3.23Å; S593-D596 PolarHBondContact OG-OD2 3.1Å; S593-E599 WeakPolarHBondContact CA-OE2 3.25Å; S593-E599 WeakPolarHBondContact CB-OE2 3.46Å; S593-E599 PolarHBondContact N-OE2 2.68Å; S593-K620 PolarHBondContact O-NZ 2.79Å
594	V	60.9	Low	80.6	Confident	109 Å²	109	49.3 Å²	49.3	66%	0.661	26%	0.259	S	S	*	.	S	Bend	trans	-71.9	-33.9	169.1	-177.9	0	0	0	0	110.2	N592 Q623	N592-V594 PolarHBondContact O-N 3.1Å; V594-Q623 HydrophobicContact CG2-CG 4.27Å
595	Q	56.5	Low	80.7	Confident	173 Å²	173	47 Å²	47	81%	0.808	25%	0.248	S	C	*	.	S	Bend	trans	-81.8	-33.8	-171.7	-68	-178.2	-10.6	0	0	113.3	S593 N597	S593-Q595 VanDerWaalsContact C-N 3.33Å; S593-Q595 PolarHBondContact OG-N 3.28Å; Q595-N597 PolarHBondContact O-N 3.38Å
596	D	60.2	Low	80.6	Confident	96 Å²	96	45.6 Å²	45.6	51%	0.513	24%	0.24	S	C	.	.			trans	-81.2	89.3	-173.7	-63.8	-44.8	0	0	0	111.4	S593 N598 E599 K620	S593-D596 WeakPolarHBondContact CB-OD2 3.13Å; S593-D596 WeakPolarHBondContact OG-CB 3.25Å; S593-D596 PolarHBondContact OG-N 3.23Å; S593-D596 PolarHBondContact OG-OD2 3.1Å; D596-N598 PolarHBondContact O-N 3.02Å; D596-E599 HydrophobicContact CB-CB 4.34Å; D596-E599 PolarHBondContact O-N 3.29Å; D596-K620 VanDerWaalsContact O-CE 3.26Å; D596-K620 WeakPolarHBondContact O-CE 3.09Å; D596-K620 PolarHBondContact O-NZ 2.69Å
597	N	63.2	Low	80.3	Confident	113 Å²	113	45.2 Å²	45.2	60%	0.604	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-18.3	-179.1	-78.3	-21.4	0	0	0	114.9	Q595 Q653	Q595-N597 PolarHBondContact O-N 3.38Å; N597-Q653 PolarHBondContact O-NE2 2.81Å
598	N	67	Low	79.9	Confident	145 Å²	145	46.6 Å²	46.6	78%	0.775	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-18.4	179.1	-68.3	-2.2	0	0	0	114.4	D596	D596-N598 PolarHBondContact O-N 3.02Å
599	E	78.3	Confident	79.3	Confident	51 Å²	51	50.9 Å²	50.9	24%	0.238	26%	0.263	C	S	.	.			trans	-70.2	141	178.1	-161.1	-173.7	-178.3	0	0	109.7	A591 N592 S593 D596 K620	A591-E599 WeakPolarHBondContact CA-OE1 2.93Å; A591-E599 HydrophobicContact CB-CB 4.31Å; A591-E599 HydrophobicContact CB-CG 3.79Å; N592-E599 PolarHBondContact N-OE1 3.38Å; N592-E599 VanDerWaalsContact N-OE1 3.15Å; N592-E599 PolarHBondContact N-OE2 3.47Å; S593-E599 WeakPolarHBondContact CA-OE2 3.25Å; S593-E599 WeakPolarHBondContact CB-OE2 3.46Å; S593-E599 PolarHBondContact N-OE2 2.68Å; D596-E599 HydrophobicContact CB-CB 4.34Å; D596-E599 PolarHBondContact O-N 3.29Å; E599-K620 WeakPolarHBondContact O-CE 3.08Å; E599-K620 VanDerWaalsContact O-CG 3.22Å; E599-K620 WeakPolarHBondContact O-CG 3.44Å
600	T	85.3	Confident	78.7	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.031	26%	0.258	C	S	.	.			trans	-142.7	162.8	175.9	70.5	0	0	0	0	109.5	I602 E616	T600-I602 PolarHBondContact O-N 2.79Å; T600-E616 VanDerWaalsContact OG1-CD 3.3Å; T600-E616 WeakPolarHBondContact OG1-CG 3.42Å; T600-E616 PolarHBondContact OG1-OE1 3.45Å
601	D	90.7	Very high	78.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.			trans	-67	130	176.4	-59.2	-33.3	0	0	0	109	Y413 V588 A591 T617 I619 L621	Y413-D601 HydrophobicContact CE2-CB 4.32Å; Y413-D601 PolarHBondContact OH-OD2 3.37Å; V588-D601 HydrophobicContact CG1-CB 4.31Å; A591-D601 PolarHBondContact N-OD1 3.04Å; D601-T617 HydrophobicContact CB-CG2 4.24Å; D601-T617 WeakPolarHBondContact CB-OG1 3.44Å; D601-T617 WeakPolarHBondContact O-CB 3.21Å; D601-T617 VanDerWaalsContact O-CG2 3.25Å; D601-T617 WeakPolarHBondContact O-CG2 3.29Å; D601-T617 PolarHBondContact O-N 3.49Å; D601-T617 PolarHBondContact O-OG1 3.46Å; D601-I619 WeakPolarHBondContact CB-O 3.44Å; D601-I619 VanDerWaalsContact CG-O 3.28Å; D601-I619 PolarHBondContact N-O 3.17Å; D601-L621 VanDerWaalsContact OD2-CB 3.29Å; D601-L621 WeakPolarHBondContact OD2-CB 3.31Å; D601-L621 PolarHBondContact OD2-N 3.05Å
602	I	87.9	Confident	77.9	Confident	24 Å²	24	48.9 Å²	48.9	12%	0.123	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.4	175.6	-59.8	170.6	0	0	0	108.8	V588 H589 T600 Y604 T614 I615	V588-I602 CarbonylContact C-O 3.38Å; H589-I602 HydrophobicContact CB-CB 4.2Å; H589-I602 PolarHBondContact N-O 2.89Å; H589-I602 PolarHBondContact O-N 3.44Å; T600-I602 PolarHBondContact O-N 2.79Å; I602-Y604 HydrophobicContact CG2-CE1 4.13Å; I602-Y604 HydrophobicContact CG2-CE2 4.05Å; I602-T614 HydrophobicContact CG2-CG2 3.49Å; I602-T614 VanDerWaalsContact CG2-CG2 3.49Å; I602-I615 CarbonylContact C-O 3.56Å; I602-I615 WeakPolarHBondContact CA-O 3.29Å
603	I	91.7	Very high	78.3	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.8	179.9	-64.9	-180	0	0	0	109.5	Y413 L428 F586 V588 I605 I615 T617	Y413-I603 HydrophobicContact CD2-CD1 4.41Å; Y413-I603 HydrophobicContact CG-CD1 4.39Å; L428-I603 HydrophobicContact CD1-CD1 3.72Å; L428-I603 HydrophobicContact CD2-CD1 3.38Å; L428-I603 HydrophobicContact CG-CD1 4.19Å; F586-I603 HydrophobicContact CB-CG2 4.33Å; F586-I603 HydrophobicContact CD2-CG2 3.72Å; F586-I603 HydrophobicContact CE2-CG2 4.42Å; F586-I603 HydrophobicContact CG-CG2 4.33Å; V588-I603 HydrophobicContact CG1-CG1 4.37Å; V588-I603 HydrophobicContact CG2-CG1 4.28Å; I603-I605 HydrophobicContact CG2-CD1 4.39Å; I603-I605 HydrophobicContact CG2-CG1 3.79Å; I603-I615 HydrophobicContact CB-CB 4.41Å; I603-I615 PolarHBondContact N-O 3.43Å; I603-I615 PolarHBondContact O-N 2.85Å; I603-T617 HydrophobicContact CD1-CG2 3.55Å; I603-T617 HydrophobicContact CG1-CG2 3.82Å
604	Y	90.1	Very high	79.2	Confident	3 Å²	3	42.4 Å²	42.4	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.9	173.4	-57.1	-80.8	0	0	0	109.8	F586 T587 H589 I602 I612 Y613 T614 L683 P721	F586-Y604 CarbonylContact C-O 3.46Å; F586-Y604 WeakPolarHBondContact CA-O 3.43Å; F586-Y604 VanDerWaalsContact CB-O 3.26Å; F586-Y604 WeakPolarHBondContact CB-O 3.35Å; T587-Y604 HydrophobicContact CG2-CD2 4.11Å; T587-Y604 PolarHBondContact N-O 2.84Å; T587-Y604 PolarHBondContact O-N 3.36Å; H589-Y604 HydrophobicContact CB-CE2 3.88Å; I602-Y604 HydrophobicContact CG2-CE1 4.13Å; I602-Y604 HydrophobicContact CG2-CE2 4.05Å; Y604-I612 HydrophobicContact CD1-CG2 4.45Å; Y604-Y613 CarbonylContact C-O 3.57Å; Y604-Y613 VanDerWaalsContact CA-O 3.3Å; Y604-Y613 WeakPolarHBondContact CA-O 3.48Å; Y604-T614 HydrophobicContact CD1-CG2 3.89Å; Y604-T614 WeakPolarHBondContact CD1-OG1 3.5Å; Y604-T614 HydrophobicContact CE1-CG2 3.47Å; Y604-T614 VanDerWaalsContact CE1-CG2 3.47Å; Y604-T614 WeakPolarHBondContact CE1-OG1 3.21Å; Y604-L683 HydrophobicContact CD1-CD1 3.55Å; Y604-L683 HydrophobicContact CD2-CD1 4Å; Y604-L683 HydrophobicContact CD2-CD2 3.83Å; Y604-L683 HydrophobicContact CE1-CD1 3.71Å; Y604-L683 HydrophobicContact CE2-CD1 4.15Å; Y604-L683 HydrophobicContact CE2-CD2 4.07Å; Y604-L683 HydrophobicContact CG-CD1 3.68Å; Y604-L683 HydrophobicContact CG-CD2 4.23Å; Y604-P721 HydrophobicContact CE1-CB 3.98Å; Y604-P721 HydrophobicContact CE1-CG 3.96Å
605	I	90.7	Very high	80.3	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.1	179.7	-55.4	-174.5	0	0	0	109.5	L415 F567 M569 P583 F586 I603 I612 Y613 I615	L415-I605 HydrophobicContact CD2-CD1 4.34Å; L415-I605 HydrophobicContact CD2-CG2 4.25Å; F567-I605 HydrophobicContact CE2-CD1 4.45Å; F567-I605 HydrophobicContact CZ-CD1 3.9Å; M569-I605 HydrophobicContact CE-CG2 4.37Å; P583-I605 HydrophobicContact CB-CG2 3.72Å; F586-I605 HydrophobicContact CB-CG1 4.12Å; I603-I605 HydrophobicContact CG2-CD1 4.39Å; I603-I605 HydrophobicContact CG2-CG1 3.79Å; I605-I612 CarbonylContact O-C 3.49Å; I605-I612 VanDerWaalsContact O-CA 3.25Å; I605-I612 WeakPolarHBondContact O-CA 3.5Å; I605-Y613 PolarHBondContact N-O 2.85Å; I605-Y613 PolarHBondContact O-N 3.34Å; I605-I615 HydrophobicContact CD1-CD1 3.51Å; I605-I615 HydrophobicContact CG1-CD1 4.08Å
606	V	87.7	Confident	81.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.8	172.7	-68.8	0	0	0	0	112.2	P583 I584 D585 T611 I612 I671 I674	P583-V606 CarbonylContact C-O 3.56Å; P583-V606 WeakPolarHBondContact CA-O 3.49Å; I584-V606 PolarHBondContact N-O 3.47Å; D585-V606 HydrophobicContact CB-CG2 3.71Å; D585-V606 VanDerWaalsContact O-CG2 3.28Å; D585-V606 WeakPolarHBondContact O-CG2 3.38Å; D585-V606 PolarHBondContact O-N 2.83Å; V606-T611 WeakPolarHBondContact CA-O 3.34Å; V606-I612 HydrophobicContact CG1-CG1 3.93Å; V606-I671 HydrophobicContact CB-CD1 4.06Å; V606-I671 HydrophobicContact CB-CG2 3.93Å; V606-I671 HydrophobicContact CG1-CD1 4.11Å; V606-I671 HydrophobicContact CG1-CG2 4.21Å; V606-I671 HydrophobicContact CG2-CG2 3.9Å; V606-I674 HydrophobicContact CB-CG2 4.49Å; V606-I674 HydrophobicContact CG1-CB 3.76Å; V606-I674 HydrophobicContact CG1-CD1 3.59Å; V606-I674 HydrophobicContact CG1-CG1 4.22Å; V606-I674 HydrophobicContact CG1-CG2 3.94Å; V606-I674 HydrophobicContact CG2-CB 4.1Å; V606-I674 HydrophobicContact CG2-CG2 3.77Å
607	T	87.1	Confident	83	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	169.1	-179.1	83.9	0	0	0	0	114	M569 E581 T582 K609 N610 T611 Y613	M569-T607 HydrophobicContact CE-CG2 4.4Å; M569-T607 HydrophobicContact SD-CG2 4.35Å; E581-T607 HydrophobicContact CG-CG2 3.88Å; E581-T607 WeakPolarHBondContact CG-OG1 3.48Å; E581-T607 WeakPolarHBondContact OE1-CG2 3.38Å; E581-T607 PolarHBondContact OE1-OG1 2.94Å; T582-T607 VanDerWaalsContact O-CA 3.23Å; T582-T607 WeakPolarHBondContact O-CA 3.27Å; T582-T607 VanDerWaalsContact O-CB 3.24Å; T582-T607 WeakPolarHBondContact O-CB 3.5Å; T607-K609 PolarHBondContact O-N 2.85Å; T607-K609 VanDerWaalsContact O-N 3.17Å; T607-K609 PolarHBondContact OG1-N 3.1Å; T607-N610 PolarHBondContact O-N 2.87Å; T607-T611 WeakPolarHBondContact CB-OG1 3.33Å; T607-T611 WeakPolarHBondContact CG2-OG1 3.17Å; T607-T611 PolarHBondContact N-O 2.88Å; T607-T611 PolarHBondContact OG1-OG1 3.1Å; T607-Y613 HydrophobicContact CG2-CD2 4.05Å; T607-Y613 HydrophobicContact CG2-CE2 3.6Å
608	N	83.1	Confident	84.1	Confident	53 Å²	53	21.8 Å²	21.8	28%	0.283	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-8	171.9	70.1	-24.4	0	0	0	115.2	K580 E581 T582 I584	K580-N608 PolarHBondContact O-ND2 3.46Å; E581-N608 WeakPolarHBondContact CA-OD1 3.49Å; T582-N608 PolarHBondContact N-OD1 2.86Å; T582-N608 PolarHBondContact O-N 3.22Å; T582-N608 PolarHBondContact O-OD1 2.99Å; T582-N608 PolarHBondContact OG1-ND2 2.97Å; T582-N608 VanDerWaalsContact OG1-ND2 3.11Å; I584-N608 VanDerWaalsContact CD1-CA 3.45Å; I584-N608 HydrophobicContact CD1-CB 3.85Å; I584-N608 HydrophobicContact CG1-CB 4.24Å
609	K	78.7	Confident	85	Confident	96 Å²	96	15 Å²	15	42%	0.417	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	16.7	174.7	-72.2	-165.6	-175.7	172.4	0	113.6	E581 T607 T611	E581-K609 HydrophobicContact CB-CD 4.02Å; E581-K609 HydrophobicContact CB-CG 4.33Å; E581-K609 HydrophobicContact CG-CB 4.14Å; E581-K609 HydrophobicContact CG-CD 4.04Å; E581-K609 HydrophobicContact CG-CG 4.06Å; E581-K609 IonicContact OE2-NZ 2.71Å; T607-K609 PolarHBondContact O-N 2.85Å; T607-K609 VanDerWaalsContact O-N 3.17Å; T607-K609 PolarHBondContact OG1-N 3.1Å; K609-T611 HydrophobicContact CB-CG2 4.45Å; K609-T611 PolarHBondContact O-N 3.49Å
610	N	75.5	Confident	85.5	Confident	9 Å²	9	13 Å²	13	5%	0.048	6%	0.063	C	C	.	.	S	Bend	trans	61.4	27.5	-179	-54.2	-19.3	0	0	0	114.4	T607 I663 I664 Y669 I670 I671	T607-N610 PolarHBondContact O-N 2.87Å; N610-I663 PolarHBondContact O-N 3.21Å; N610-I664 PolarHBondContact ND2-O 3.18Å; N610-Y669 PolarHBondContact ND2-O 2.96Å; N610-Y669 PolarHBondContact OD1-O 3.14Å; N610-I670 WeakPolarHBondContact OD1-CA 3.33Å; N610-I671 VanDerWaalsContact CA-CD1 3.44Å; N610-I671 HydrophobicContact CB-CD1 4.23Å; N610-I671 HydrophobicContact CB-CG1 4.26Å; N610-I671 PolarHBondContact OD1-N 2.95Å
611	T	78.6	Confident	85.7	Confident	5 Å²	5	12.7 Å²	12.7	3%	0.031	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.9	174	55.2	0	0	0	0	110.1	E581 V606 T607 K609 F661 T662	E581-T611 WeakPolarHBondContact OE1-CB 3.17Å; E581-T611 PolarHBondContact OE1-OG1 3.31Å; V606-T611 WeakPolarHBondContact CA-O 3.34Å; T607-T611 WeakPolarHBondContact CB-OG1 3.33Å; T607-T611 WeakPolarHBondContact CG2-OG1 3.17Å; T607-T611 PolarHBondContact N-O 2.88Å; T607-T611 PolarHBondContact OG1-OG1 3.1Å; K609-T611 HydrophobicContact CB-CG2 4.45Å; K609-T611 PolarHBondContact O-N 3.49Å; T611-F661 CarbonylContact C-O 3.57Å; T611-F661 WeakPolarHBondContact CA-O 2.99Å; T611-T662 HydrophobicContact CG2-CG2 3.71Å
612	I	81.2	Confident	85.7	Confident	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.7	168.1	-53.4	156.2	0	0	0	107.7	Y604 I605 V606 Q660 F661 I663 I674 F719	Y604-I612 HydrophobicContact CD1-CG2 4.45Å; I605-I612 CarbonylContact O-C 3.49Å; I605-I612 VanDerWaalsContact O-CA 3.25Å; I605-I612 WeakPolarHBondContact O-CA 3.5Å; V606-I612 HydrophobicContact CG1-CG1 3.93Å; I612-Q660 CarbonylContact O-C 3.57Å; I612-Q660 VanDerWaalsContact O-CA 3.3Å; I612-Q660 WeakPolarHBondContact O-CA 3.46Å; I612-F661 HydrophobicContact CB-CB 4.29Å; I612-F661 HydrophobicContact CB-CD2 4.34Å; I612-F661 HydrophobicContact CD1-CB 4.27Å; I612-F661 PolarHBondContact N-O 3Å; I612-F661 PolarHBondContact O-N 2.99Å; I612-I663 HydrophobicContact CD1-CD1 3.26Å; I612-I663 HydrophobicContact CD1-CG1 3.59Å; I612-I663 HydrophobicContact CG1-CD1 3.64Å; I612-I663 HydrophobicContact CG1-CG1 4.1Å; I612-I674 HydrophobicContact CG2-CD1 4.48Å; I612-F719 HydrophobicContact CD1-CE1 3.86Å; I612-F719 HydrophobicContact CD1-CE2 3.82Å; I612-F719 HydrophobicContact CD1-CZ 3.18Å
613	Y	84.4	Confident	85.6	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.1	166.3	-60.4	-90.9	0	0	0	109	M569 L572 N573 E581 Y604 I605 T607 Q660	M569-Y613 HydrophobicContact SD-CE2 4.12Å; L572-Y613 HydrophobicContact CB-CD1 3.89Å; L572-Y613 HydrophobicContact CB-CE1 3.72Å; L572-Y613 HydrophobicContact CD1-CD1 3.99Å; L572-Y613 HydrophobicContact CD1-CD2 4.32Å; L572-Y613 HydrophobicContact CD1-CE1 4.31Å; L572-Y613 HydrophobicContact CD1-CG 3.99Å; N573-Y613 PolarHBondContact ND2-OH 2.65Å; N573-Y613 VanDerWaalsContact ND2-OH 3.1Å; N573-Y613 WeakPolarHBondContact OD1-CE1 3.35Å; N573-Y613 PolarHBondContact OD1-OH 3.45Å; E581-Y613 VanDerWaalsContact CD-OH 3.23Å; E581-Y613 VanDerWaalsContact OE1-CE2 3.24Å; E581-Y613 WeakPolarHBondContact OE1-CE2 3.26Å; E581-Y613 PolarHBondContact OE1-OH 3.42Å; E581-Y613 PolarHBondContact OE2-OH 3.45Å; Y604-Y613 CarbonylContact C-O 3.57Å; Y604-Y613 VanDerWaalsContact CA-O 3.3Å; Y604-Y613 WeakPolarHBondContact CA-O 3.48Å; I605-Y613 PolarHBondContact N-O 2.85Å; I605-Y613 PolarHBondContact O-N 3.34Å; T607-Y613 HydrophobicContact CG2-CD2 4.05Å; T607-Y613 HydrophobicContact CG2-CE2 3.6Å; Y613-Q660 HydrophobicContact CD1-CB 4.21Å; Y613-Q660 HydrophobicContact CD1-CG 4.08Å; Y613-Q660 HydrophobicContact CE1-CB 4.21Å; Y613-Q660 HydrophobicContact CE1-CG 3.71Å; Y613-Q660 PolarHBondContact OH-NE2 2.97Å
614	T	84	Confident	85.1	Confident	4 Å²	4	17 Å²	17	3%	0.025	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.8	169.7	-54.6	0	0	0	0	108	I602 Y604 M658 D659	I602-T614 HydrophobicContact CG2-CG2 3.49Å; I602-T614 VanDerWaalsContact CG2-CG2 3.49Å; Y604-T614 HydrophobicContact CD1-CG2 3.89Å; Y604-T614 WeakPolarHBondContact CD1-OG1 3.5Å; Y604-T614 HydrophobicContact CE1-CG2 3.47Å; Y604-T614 VanDerWaalsContact CE1-CG2 3.47Å; Y604-T614 WeakPolarHBondContact CE1-OG1 3.21Å; T614-M658 HydrophobicContact CG2-CB 3.94Å; T614-M658 HydrophobicContact CG2-CG 4.47Å; T614-M658 PolarHBondContact O-N 2.04Å; T614-D659 PolarHBondContact N-O 3.44Å; T614-D659 PolarHBondContact O-N 3.33Å
615	I	85.4	Confident	84.7	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.7	-171	-59	178.3	0	0	0	108.9	I602 I603 I605 F655 Q656	I602-I615 CarbonylContact C-O 3.56Å; I602-I615 WeakPolarHBondContact CA-O 3.29Å; I603-I615 HydrophobicContact CB-CB 4.41Å; I603-I615 PolarHBondContact N-O 3.43Å; I603-I615 PolarHBondContact O-N 2.85Å; I605-I615 HydrophobicContact CD1-CD1 3.51Å; I605-I615 HydrophobicContact CG1-CD1 4.08Å; I615-F655 HydrophobicContact CB-CZ 4.49Å; I615-F655 HydrophobicContact CD1-CE1 4.44Å; I615-F655 HydrophobicContact CG2-CD1 3.83Å; I615-F655 HydrophobicContact CG2-CD2 4.47Å; I615-F655 HydrophobicContact CG2-CE1 3.17Å; I615-F655 HydrophobicContact CG2-CE2 3.88Å; I615-F655 HydrophobicContact CG2-CG 4.46Å; I615-F655 HydrophobicContact CG2-CZ 3.23Å; I615-Q656 CarbonylContact C-O 3.59Å; I615-Q656 WeakPolarHBondContact CA-O 3.26Å
616	E	86.2	Confident	83.9	Confident	53 Å²	53	20.6 Å²	20.6	25%	0.248	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.5	171	-167.7	-179.9	175.7	0	0	109.3	T600 F655 Q656 M658	T600-E616 VanDerWaalsContact OG1-CD 3.3Å; T600-E616 WeakPolarHBondContact OG1-CG 3.42Å; T600-E616 PolarHBondContact OG1-OE1 3.45Å; E616-F655 CarbonylContact O-C 3.51Å; E616-F655 WeakPolarHBondContact O-CA 3.26Å; E616-Q656 PolarHBondContact N-O 3.49Å; E616-Q656 PolarHBondContact O-N 3.19Å; E616-M658 HydrophobicContact CB-CG 3.77Å; E616-M658 HydrophobicContact CB-SD 4.03Å
617	T	87	Confident	83.1	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.018	12%	0.119	C	C	.	.			trans	-78.5	-24.5	-173.9	60.4	0	0	0	0	113.3	L428 D601 I603 I619 F655	L428-T617 HydrophobicContact CD2-CG2 4.35Å; D601-T617 HydrophobicContact CB-CG2 4.24Å; D601-T617 WeakPolarHBondContact CB-OG1 3.44Å; D601-T617 WeakPolarHBondContact O-CB 3.21Å; D601-T617 VanDerWaalsContact O-CG2 3.25Å; D601-T617 WeakPolarHBondContact O-CG2 3.29Å; D601-T617 PolarHBondContact O-N 3.49Å; D601-T617 PolarHBondContact O-OG1 3.46Å; I603-T617 HydrophobicContact CD1-CG2 3.55Å; I603-T617 HydrophobicContact CG1-CG2 3.82Å; T617-I619 PolarHBondContact O-N 3.47Å; T617-I619 PolarHBondContact OG1-N 3.09Å; T617-I619 VanDerWaalsContact OG1-N 3.08Å; T617-I619 PolarHBondContact OG1-O 3.4Å; T617-F655 HydrophobicContact CG2-CD2 4.41Å; T617-F655 HydrophobicContact CG2-CE2 3.98Å
618	G	85.5	Confident	81.8	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	72.4	9.2	-166.3	0	0	0	0	0	113.6	Q653	G618-Q653 VanDerWaalsContact O-CB 3.25Å; G618-Q653 WeakPolarHBondContact O-CB 3.46Å; G618-Q653 PolarHBondContact O-OE1 3.46Å
619	I	86.7	Confident	80.4	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.015	15%	0.145	C	C	.	.			trans	-126.7	141.7	-170.8	-63.2	167.2	0	0	0	109.2	M539 L564 D601 T617 L621 I647 T649	M539-I619 HydrophobicContact CG-CD1 4.46Å; M539-I619 HydrophobicContact SD-CD1 3.94Å; L564-I619 HydrophobicContact CD1-CD1 3.87Å; L564-I619 HydrophobicContact CD2-CD1 3.93Å; L564-I619 HydrophobicContact CG-CD1 4.35Å; D601-I619 WeakPolarHBondContact CB-O 3.44Å; D601-I619 VanDerWaalsContact CG-O 3.28Å; D601-I619 PolarHBondContact N-O 3.17Å; T617-I619 PolarHBondContact O-N 3.47Å; T617-I619 PolarHBondContact OG1-N 3.09Å; T617-I619 VanDerWaalsContact OG1-N 3.08Å; T617-I619 PolarHBondContact OG1-O 3.4Å; I619-L621 HydrophobicContact CG2-CB 4.18Å; I619-I647 HydrophobicContact CG1-CG2 4.36Å; I619-I647 HydrophobicContact CG2-CG2 3.54Å; I619-T649 HydrophobicContact CG1-CG2 3.92Å
620	K	88.1	Confident	78.9	Confident	7 Å²	7	31.9 Å²	31.9	3%	0.03	16%	0.155	C	C	.	.			trans	-110.1	79.9	168	-69.6	-172	176.1	-167.7	0	109.3	A591 S593 D596 E599 K622 Q623 Q624	A591-K620 HydrophobicContact CB-CD 4.43Å; A591-K620 HydrophobicContact CB-CG 3.92Å; S593-K620 PolarHBondContact O-NZ 2.79Å; D596-K620 VanDerWaalsContact O-CE 3.26Å; D596-K620 WeakPolarHBondContact O-CE 3.09Å; D596-K620 PolarHBondContact O-NZ 2.69Å; E599-K620 WeakPolarHBondContact O-CE 3.08Å; E599-K620 VanDerWaalsContact O-CG 3.22Å; E599-K620 WeakPolarHBondContact O-CG 3.44Å; K620-K622 PolarHBondContact O-N 2.96Å; K620-Q623 HydrophobicContact CB-CB 4.39Å; K620-Q623 PolarHBondContact O-N 3.28Å; K620-Q623 PolarHBondContact O-OE1 2.99Å; K620-Q624 HydrophobicContact CB-CG 4.02Å; K620-Q624 WeakPolarHBondContact O-CB 3.38Å; K620-Q624 PolarHBondContact O-N 2.95Å
621	L	90.1	Very high	77.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-33.8	-164.2	-173.7	61.9	0	0	0	112.5	V411 Y413 A430 L537 W590 D601 I619 Q623 I625 I647	V411-L621 HydrophobicContact CB-CD2 3.78Å; V411-L621 HydrophobicContact CB-CG 3.92Å; V411-L621 HydrophobicContact CG1-CD2 4.35Å; V411-L621 HydrophobicContact CG1-CG 4.11Å; V411-L621 HydrophobicContact CG2-CD2 4.04Å; V411-L621 HydrophobicContact CG2-CG 3.91Å; Y413-L621 HydrophobicContact CD1-CD2 4.28Å; Y413-L621 HydrophobicContact CD2-CD2 4.14Å; Y413-L621 HydrophobicContact CE1-CD2 3.88Å; Y413-L621 HydrophobicContact CE2-CB 4.2Å; Y413-L621 HydrophobicContact CE2-CD2 3.74Å; Y413-L621 HydrophobicContact CG-CD2 4.41Å; Y413-L621 WeakPolarHBondContact OH-CB 3.46Å; A430-L621 HydrophobicContact CB-CD1 4.05Å; A430-L621 HydrophobicContact CB-CD2 3.83Å; L537-L621 HydrophobicContact CD1-CD1 4.08Å; W590-L621 HydrophobicContact CZ3-CB 4.28Å; W590-L621 HydrophobicContact CZ3-CD2 4.19Å; D601-L621 VanDerWaalsContact OD2-CB 3.29Å; D601-L621 WeakPolarHBondContact OD2-CB 3.31Å; D601-L621 PolarHBondContact OD2-N 3.05Å; I619-L621 HydrophobicContact CG2-CB 4.18Å; L621-Q623 PolarHBondContact O-N 3.09Å; L621-I625 VanDerWaalsContact O-CG1 3.31Å; L621-I625 WeakPolarHBondContact O-CG1 3.38Å; L621-I647 HydrophobicContact CD1-CD1 3.52Å; L621-I647 HydrophobicContact CD1-CG1 3.72Å
622	K	90	Very high	75.9	Confident	30 Å²	30	38.6 Å²	38.6	13%	0.13	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.3	177.9	-62.9	-176.2	-59.2	-172.5	0	113	V402 T404 G405 V411 W590 A591 N592 K620	V402-K622 HydrophobicContact CG2-CD 3.98Å; V402-K622 HydrophobicContact CG2-CG 3.96Å; T404-K622 CarbonylContact C-O 3.56Å; T404-K622 WeakPolarHBondContact CA-O 3.5Å; T404-K622 WeakPolarHBondContact CB-O 3.44Å; G405-K622 PolarHBondContact N-O 2.95Å; V411-K622 HydrophobicContact CG2-CG 4.33Å; W590-K622 HydrophobicContact CB-CD 4.21Å; W590-K622 HydrophobicContact CE3-CD 4.44Å; W590-K622 HydrophobicContact CE3-CG 4.18Å; W590-K622 HydrophobicContact CG-CD 4.5Å; A591-K622 WeakPolarHBondContact O-CE 3.43Å; A591-K622 PolarHBondContact O-NZ 3.01Å; A591-K622 VanDerWaalsContact O-NZ 3.11Å; N592-K622 PolarHBondContact OD1-NZ 3.48Å; K620-K622 PolarHBondContact O-N 2.96Å
623	Q	85.1	Confident	74.2	Confident	52 Å²	52	41.8 Å²	41.8	24%	0.243	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-19.7	-170.8	-60.7	86.5	-8.9	0	0	113.8	A591 V594 K620 L621	A591-Q623 PolarHBondContact O-NE2 3.14Å; V594-Q623 HydrophobicContact CG2-CG 4.27Å; K620-Q623 HydrophobicContact CB-CB 4.39Å; K620-Q623 PolarHBondContact O-N 3.28Å; K620-Q623 PolarHBondContact O-OE1 2.99Å; L621-Q623 PolarHBondContact O-N 3.09Å
624	Q	82.7	Confident	71.8	Confident	32 Å²	32	48 Å²	48	15%	0.15	23%	0.227	C	C	.	.			trans	-106.5	12.8	-167.9	-73.4	177.5	-19.4	0	0	114.9	K620 V626 I647 K648	K620-Q624 HydrophobicContact CB-CG 4.02Å; K620-Q624 WeakPolarHBondContact O-CB 3.38Å; K620-Q624 PolarHBondContact O-N 2.95Å; Q624-V626 PolarHBondContact O-N 2.81Å; Q624-I647 HydrophobicContact CB-CG2 4.46Å; Q624-K648 WeakPolarHBondContact CB-O 3.36Å; Q624-K648 WeakPolarHBondContact CG-O 3.28Å; Q624-K648 PolarHBondContact O-N 3.31Å; Q624-K648 PolarHBondContact OE1-O 3.11Å
625	I	82	Confident	69.7	Low	39 Å²	39	51.2 Å²	51.2	20%	0.2	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.7	174.2	-51.9	175.1	0	0	0	108.7	T404 V411 N432 L621 Y645	T404-I625 HydrophobicContact CG2-CD1 3.48Å; T404-I625 VanDerWaalsContact CG2-CD1 3.48Å; V411-I625 HydrophobicContact CG1-CD1 3.13Å; V411-I625 HydrophobicContact CG1-CG1 4.24Å; N432-I625 HydrophobicContact CB-CD1 4.47Å; L621-I625 VanDerWaalsContact O-CG1 3.31Å; L621-I625 WeakPolarHBondContact O-CG1 3.38Å; I625-Y645 HydrophobicContact CG2-CD1 3.94Å
626	V	73.5	Confident	67.4	Low	44 Å²	44	56.2 Å²	56.2	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.7	174.6	-178.3	0	0	0	0	108.3	Q624 F646 K648	Q624-V626 PolarHBondContact O-N 2.81Å; V626-F646 PolarHBondContact N-O 3.06Å; V626-F646 PolarHBondContact O-N 3.4Å; V626-K648 HydrophobicContact CG2-CB 3.69Å; V626-K648 HydrophobicContact CG2-CD 4.18Å
627	Y	70.5	Confident	65.2	Low	96 Å²	96	59 Å²	59	38%	0.376	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.5	163	169.7	-124.4	0	0	0	109.3	Q629 I643	Y627-Q629 HydrophobicContact CD1-CG 4.27Å; Y627-Q629 HydrophobicContact CE1-CB 4.48Å; Y627-Q629 HydrophobicContact CE1-CG 3.36Å; Y627-I643 HydrophobicContact CD2-CB 4.43Å; Y627-I643 HydrophobicContact CD2-CG2 3.28Å; Y627-I643 HydrophobicContact CE2-CB 3.8Å; Y627-I643 HydrophobicContact CE2-CG1 4.07Å; Y627-I643 HydrophobicContact CE2-CG2 3.02Å; Y627-I643 HydrophobicContact CG-CG2 4.27Å
628	N	59.8	Low	62.9	Low	36 Å²	36	65.4 Å²	65.4	19%	0.193	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	112	174.3	-175.8	-21.3	0	0	0	111.4	N630 F631	N628-N630 PolarHBondContact O-N 2.79Å; N628-N630 VanDerWaalsContact O-N 3.17Å; N628-N630 VanDerWaalsContact OD1-CB 3.28Å; N628-N630 WeakPolarHBondContact OD1-CB 3.47Å; N628-N630 PolarHBondContact OD1-N 2.87Å; N628-F631 HydrophobicContact CB-CD2 3.71Å; N628-F631 HydrophobicContact CB-CE2 4.23Å; N628-F631 VanDerWaalsContact CG-CD2 3.47Å; N628-F631 VanDerWaalsContact ND2-CE2 3.3Å; N628-F631 WeakPolarHBondContact ND2-CE2 3.21Å; N628-F631 PolarHBondContact O-N 3.36Å
629	Q	54.4	Low	60.4	Low	134 Å²	134	75.4 Å²	75.4	63%	0.626	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	-23.9	179.9	-67.1	-174	-3.1	0	0	113.9	Y627	Y627-Q629 HydrophobicContact CD1-CG 4.27Å; Y627-Q629 HydrophobicContact CE1-CB 4.48Å; Y627-Q629 HydrophobicContact CE1-CG 3.36Å
630	N	46.5	Very low	58.3	Low	119 Å²	119	78.5 Å²	78.5	64%	0.636	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	-19.7	-177.3	-61.8	-21.8	0	0	0	112.5	H553 N628 K632	H553-N630 PolarHBondContact CE1-O 3.37Å; N628-N630 PolarHBondContact O-N 2.79Å; N628-N630 VanDerWaalsContact O-N 3.17Å; N628-N630 VanDerWaalsContact OD1-CB 3.28Å; N628-N630 WeakPolarHBondContact OD1-CB 3.47Å; N628-N630 PolarHBondContact OD1-N 2.87Å; N630-K632 VanDerWaalsContact C-N 3.33Å; N630-K632 PolarHBondContact O-N 3.41Å; N630-K632 VanDerWaalsContact O-N 3.16Å
631	F	49.5	Very low	56.1	Low	26 Å²	26	81.7 Å²	81.7	11%	0.114	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	74.3	173.1	-68.7	-81.9	0	0	0	109.4	H553 L556 M557 N628 N644 F646	H553-F631 AromaticContact CE1-CD1 3.5Å; H553-F631 AromaticContact CE1-CE1 3.45Å; H553-F631 VanDerWaalsContact CE1-CE1 3.45Å; H553-F631 WeakPolarHBondContact CE1-CE1 3.28Å; H553-F631 AromaticContact CE1-CG 3.88Å; H553-F631 AromaticContact CE1-CZ 3.83Å; H553-F631 AromaticContact ND1-CD1 3.49Å; H553-F631 WeakPolarHBondContact ND1-CD1 3.22Å; H553-F631 AromaticContact ND1-CE1 3.34Å; H553-F631 VanDerWaalsContact ND1-CE1 3.34Å; H553-F631 WeakPolarHBondContact ND1-CE1 3.39Å; L556-F631 HydrophobicContact CB-CE1 4.18Å; L556-F631 HydrophobicContact CD2-CD1 4Å; L556-F631 HydrophobicContact CD2-CE1 3.46Å; L556-F631 VanDerWaalsContact CD2-CE1 3.46Å; L556-F631 HydrophobicContact CD2-CE2 4.15Å; L556-F631 HydrophobicContact CD2-CZ 3.54Å; L556-F631 HydrophobicContact CG-CE1 4.39Å; M557-F631 HydrophobicContact CE-CD1 3.99Å; M557-F631 HydrophobicContact CG-CD1 4.48Å; N628-F631 HydrophobicContact CB-CD2 3.71Å; N628-F631 HydrophobicContact CB-CE2 4.23Å; N628-F631 VanDerWaalsContact CG-CD2 3.47Å; N628-F631 VanDerWaalsContact ND2-CE2 3.3Å; N628-F631 WeakPolarHBondContact ND2-CE2 3.21Å; N628-F631 PolarHBondContact O-N 3.36Å; F631-N644 HydrophobicContact CB-CB 4.17Å; F631-N644 PolarHBondContact O-ND2 3.15Å; F631-F646 HydrophobicContact CB-CE2 3.85Å; F631-F646 HydrophobicContact CB-CZ 4.2Å; F631-F646 HydrophobicContact CD1-CE2 4.44Å; F631-F646 HydrophobicContact CD1-CZ 4.32Å; F631-F646 HydrophobicContact CD2-CD2 4.42Å; F631-F646 AromaticContact CD2-CE2 3.75Å; F631-F646 HydrophobicContact CD2-CE2 3.75Å; F631-F646 HydrophobicContact CD2-CZ 4.39Å; F631-F646 HydrophobicContact CE2-CE2 4.38Å; F631-F646 AromaticContact CG-CE2 3.77Å; F631-F646 HydrophobicContact CG-CE2 3.77Å; F631-F646 HydrophobicContact CG-CZ 4.06Å
632	K	42.2	Very low	54.1	Low	129 Å²	129	83.8 Å²	83.8	56%	0.561	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.2	166.6	-74.6	-179.8	-177.4	177.3	0	109.1	N630 E634	N630-K632 VanDerWaalsContact C-N 3.33Å; N630-K632 PolarHBondContact O-N 3.41Å; N630-K632 VanDerWaalsContact O-N 3.16Å; K632-E634 PolarHBondContact O-N 2.91Å
633	F	43.8	Very low	52.5	Low	68 Å²	68	84.9 Å²	84.9	30%	0.298	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	103.7	163.5	-112.3	-92.8	0	0	0	107	M557 P560 L635 T642	M557-F633 HydrophobicContact CB-CE2 4.42Å; M557-F633 HydrophobicContact CG-CE2 4.4Å; P560-F633 HydrophobicContact CB-CZ 4.39Å; P560-F633 HydrophobicContact CG-CZ 4.38Å; F633-L635 PolarHBondContact O-N 2.85Å; F633-T642 WeakPolarHBondContact CB-OG1 3.38Å
634	E	35.5	Very low	51.6	Low	132 Å²	132	84 Å²	84	62%	0.617	42%	0.423	S	S	*	.			trans	-87.3	86.3	173	-146.2	169.5	-155.3	0	0	108.1	K632 N636 R639	K632-E634 PolarHBondContact O-N 2.91Å; E634-N636 PolarHBondContact O-N 3.41Å; E634-R639 HydrophobicContact CG-CG 4.46Å; E634-R639 IonicContact OE1-CZ 3.78Å; E634-R639 IonicContact OE1-NE 3.03Å; E634-R639 PolarHBondContact OE1-NE 2.82Å; E634-R639 IonicContact OE1-NH2 3.58Å
635	L	40.1	Very low	51.4	Low	71 Å²	71	83.9 Å²	83.9	37%	0.372	42%	0.421	S	S	.	.			trans	-66.4	121.7	166.2	-92.4	130.6	0	0	0	108.3	E380 F633 S637	E380-L635 HydrophobicContact CG-CD2 4.32Å; F633-L635 PolarHBondContact O-N 2.85Å; L635-S637 PolarHBondContact O-N 2.83Å
636	N	35.5	Very low	51.4	Low	106 Å²	106	82.6 Å²	82.6	57%	0.567	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	134	-174.9	-99.4	-35.4	0	0	0	113	E634	E634-N636 PolarHBondContact O-N 3.41Å
637	S	40.9	Very low	51.9	Low	111 Å²	111	80.5 Å²	80.5	78%	0.776	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	0.2	168.4	-59.9	0	0	0	0	121	L635	L635-S637 PolarHBondContact O-N 2.83Å
638	N	37.8	Very low	52.5	Low	138 Å²	138	79.5 Å²	79.5	74%	0.738	40%	0.399	S	S	*	.	S	Bend	trans	-151.3	107.3	156.2	-83	-37.6	0	0	0	106.9	L640	N638-L640 VanDerWaalsContact C-N 3.27Å; N638-L640 PolarHBondContact O-N 2.83Å
639	R	34.2	Very low	53.3	Low	211 Å²	211	78.2 Å²	78.2	80%	0.796	39%	0.392	S	S	*	.			trans	-55.5	84.8	-177.4	-84.3	-178.5	168.9	165	-1.7	111.6	E634 S641	E634-R639 HydrophobicContact CG-CG 4.46Å; E634-R639 IonicContact OE1-CZ 3.78Å; E634-R639 IonicContact OE1-NE 3.03Å; E634-R639 PolarHBondContact OE1-NE 2.82Å; E634-R639 IonicContact OE1-NH2 3.58Å; R639-S641 PolarHBondContact O-N 3.36Å
640	L	41.1	Very low	54.2	Low	67 Å²	67	75 Å²	75	35%	0.351	38%	0.38	S	S	.	.			trans	-82.8	95	158.3	-78.6	157.3	0	0	0	105.1	T442 N638 T642	T442-L640 HydrophobicContact CG2-CD2 3.83Å; N638-L640 VanDerWaalsContact C-N 3.27Å; N638-L640 PolarHBondContact O-N 2.83Å; L640-T642 VanDerWaalsContact C-N 3.25Å; L640-T642 PolarHBondContact O-N 3.06Å
641	S	42.7	Very low	55.1	Low	74 Å²	74	74.7 Å²	74.7	52%	0.517	37%	0.374	S	S	.	.			trans	-69.5	90.5	167	56.2	0	0	0	0	107.6	R639 I643	R639-S641 PolarHBondContact O-N 3.36Å; S641-I643 PolarHBondContact O-N 2.77Å
642	T	48.6	Very low	55.9	Low	45 Å²	45	80.8 Å²	80.8	28%	0.276	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.3	164.5	22.6	0	0	0	0	107.8	F633 L640 N644	F633-T642 WeakPolarHBondContact CB-OG1 3.38Å; L640-T642 VanDerWaalsContact C-N 3.25Å; L640-T642 PolarHBondContact O-N 3.06Å; T642-N644 PolarHBondContact O-N 3.4Å; T642-N644 PolarHBondContact O-ND2 3.37Å
643	I	56.2	Low	57.1	Low	52 Å²	52	76.4 Å²	76.4	27%	0.267	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.3	172.5	-70.3	170.3	0	0	0	105.2	E438 Y627 S641 Y645	E438-I643 WeakPolarHBondContact OE1-CB 3.18Å; E438-I643 WeakPolarHBondContact OE1-CD1 3.49Å; E438-I643 WeakPolarHBondContact OE1-CG2 3.09Å; E438-I643 WeakPolarHBondContact OE2-CB 3.18Å; Y627-I643 HydrophobicContact CD2-CB 4.43Å; Y627-I643 HydrophobicContact CD2-CG2 3.28Å; Y627-I643 HydrophobicContact CE2-CB 3.8Å; Y627-I643 HydrophobicContact CE2-CG1 4.07Å; Y627-I643 HydrophobicContact CE2-CG2 3.02Å; Y627-I643 HydrophobicContact CG-CG2 4.27Å; S641-I643 PolarHBondContact O-N 2.77Å; I643-Y645 HydrophobicContact CB-CE2 4.23Å; I643-Y645 HydrophobicContact CG2-CD2 4.13Å; I643-Y645 HydrophobicContact CG2-CE1 4.3Å; I643-Y645 HydrophobicContact CG2-CE2 3.37Å; I643-Y645 VanDerWaalsContact CG2-CZ 3.46Å; I643-Y645 WeakPolarHBondContact CG2-OH 3.34Å
644	N	65	Low	58.5	Low	34 Å²	34	80.6 Å²	80.6	18%	0.182	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.3	-177.1	-69.4	-53.4	0	0	0	110.2	F631 T642 F646	F631-N644 HydrophobicContact CB-CB 4.17Å; F631-N644 PolarHBondContact O-ND2 3.15Å; T642-N644 PolarHBondContact O-N 3.4Å; T642-N644 PolarHBondContact O-ND2 3.37Å; N644-F646 HydrophobicContact CB-CE2 3.55Å; N644-F646 HydrophobicContact CB-CZ 3.73Å
645	Y	78.7	Confident	60.5	Low	30 Å²	30	75.9 Å²	75.9	12%	0.118	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.5	176.3	-62.2	-94.9	0	0	0	109.4	N432 N434 S435 E438 L537 I625 I643	N432-Y645 VanDerWaalsContact ND2-CD1 3.32Å; N432-Y645 WeakPolarHBondContact ND2-CD1 3.5Å; N432-Y645 WeakPolarHBondContact ND2-CD2 3.19Å; N432-Y645 VanDerWaalsContact ND2-CG 3.27Å; N434-Y645 HydrophobicContact CB-CE1 4.22Å; N434-Y645 HydrophobicContact CB-CE2 4.17Å; N434-Y645 VanDerWaalsContact CB-OH 3.26Å; N434-Y645 WeakPolarHBondContact CB-OH 3.09Å; S435-Y645 WeakPolarHBondContact OG-CD2 3.18Å; S435-Y645 WeakPolarHBondContact OG-CE2 3.02Å; E438-Y645 PolarHBondContact OE1-OH 3.13Å; L537-Y645 VanDerWaalsContact CD2-CB 3.45Å; L537-Y645 WeakPolarHBondContact CD2-O 3.15Å; I625-Y645 HydrophobicContact CG2-CD1 3.94Å; I643-Y645 HydrophobicContact CB-CE2 4.23Å; I643-Y645 HydrophobicContact CG2-CD2 4.13Å; I643-Y645 HydrophobicContact CG2-CE1 4.3Å; I643-Y645 HydrophobicContact CG2-CE2 3.37Å; I643-Y645 VanDerWaalsContact CG2-CZ 3.46Å; I643-Y645 WeakPolarHBondContact CG2-OH 3.34Å
646	F	83.2	Confident	62.2	Low	12 Å²	12	76.5 Å²	76.5	5%	0.053	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.9	-179.2	-61.6	-79.7	0	0	0	110.6	N538 I540 L556 V626 F631 N644	N538-F646 HydrophobicContact CB-CD1 3.75Å; N538-F646 HydrophobicContact CB-CE1 3.95Å; N538-F646 WeakPolarHBondContact O-CA 3.26Å; I540-F646 HydrophobicContact CD1-CB 3.71Å; I540-F646 HydrophobicContact CD1-CG 4.38Å; I540-F646 HydrophobicContact CG1-CB 3.9Å; I540-F646 HydrophobicContact CG2-CB 3.94Å; I540-F646 HydrophobicContact CG2-CD1 3.81Å; I540-F646 HydrophobicContact CG2-CG 3.95Å; L556-F646 HydrophobicContact CD1-CD1 4.21Å; L556-F646 HydrophobicContact CD1-CE1 3.99Å; L556-F646 HydrophobicContact CD2-CD1 3.71Å; L556-F646 HydrophobicContact CD2-CE1 3.24Å; L556-F646 HydrophobicContact CD2-CE2 4.1Å; L556-F646 HydrophobicContact CD2-CG 4.33Å; L556-F646 HydrophobicContact CD2-CZ 3.45Å; L556-F646 VanDerWaalsContact CD2-CZ 3.45Å; L556-F646 HydrophobicContact CG-CD1 4.23Å; L556-F646 HydrophobicContact CG-CE1 3.59Å; L556-F646 HydrophobicContact CG-CZ 4.11Å; V626-F646 PolarHBondContact N-O 3.06Å; V626-F646 PolarHBondContact O-N 3.4Å; F631-F646 HydrophobicContact CB-CE2 3.85Å; F631-F646 HydrophobicContact CB-CZ 4.2Å; F631-F646 HydrophobicContact CD1-CE2 4.44Å; F631-F646 HydrophobicContact CD1-CZ 4.32Å; F631-F646 HydrophobicContact CD2-CD2 4.42Å; F631-F646 AromaticContact CD2-CE2 3.75Å; F631-F646 HydrophobicContact CD2-CE2 3.75Å; F631-F646 HydrophobicContact CD2-CZ 4.39Å; F631-F646 HydrophobicContact CE2-CE2 4.38Å; F631-F646 AromaticContact CG-CE2 3.77Å; F631-F646 HydrophobicContact CG-CE2 3.77Å; F631-F646 HydrophobicContact CG-CZ 4.06Å; N644-F646 HydrophobicContact CB-CE2 3.55Å; N644-F646 HydrophobicContact CB-CZ 3.73Å
647	I	84.4	Confident	63.9	Low	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.2	173.1	-63.3	160.9	0	0	0	107.5	A430 L537 N538 M539 I540 L564 I619 L621 Q624 T649	A430-I647 HydrophobicContact CB-CD1 3.92Å; L537-I647 HydrophobicContact CB-CD1 3.59Å; L537-I647 HydrophobicContact CB-CG1 3.94Å; L537-I647 HydrophobicContact CD1-CD1 4.03Å; L537-I647 HydrophobicContact CD1-CG1 4.06Å; L537-I647 HydrophobicContact CG-CD1 4.48Å; N538-I647 PolarHBondContact O-N 3.43Å; M539-I647 CarbonylContact C-O 3.58Å; M539-I647 WeakPolarHBondContact CA-O 3.44Å; I540-I647 PolarHBondContact N-O 3.05Å; L564-I647 HydrophobicContact CD1-CD1 4.42Å; L564-I647 HydrophobicContact CD2-CD1 3.82Å; I619-I647 HydrophobicContact CG1-CG2 4.36Å; I619-I647 HydrophobicContact CG2-CG2 3.54Å; L621-I647 HydrophobicContact CD1-CD1 3.52Å; L621-I647 HydrophobicContact CD1-CG1 3.72Å; Q624-I647 HydrophobicContact CB-CG2 4.46Å; I647-T649 HydrophobicContact CG2-CG2 3.85Å; I647-T649 PolarHBondContact O-N 3.23Å
648	K	81.4	Confident	65.2	Low	75 Å²	75	69.8 Å²	69.8	33%	0.326	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	115.9	176.2	-175.1	-177.7	180	-173.1	0	110.1	I540 A542 Q624 V626	I540-K648 HydrophobicContact CG1-CB 4.3Å; I540-K648 WeakPolarHBondContact O-CA 3.45Å; A542-K648 HydrophobicContact CB-CD 4.5Å; A542-K648 VanDerWaalsContact CB-CE 3.46Å; A542-K648 HydrophobicContact CB-CG 4.26Å; Q624-K648 WeakPolarHBondContact CB-O 3.36Å; Q624-K648 WeakPolarHBondContact CG-O 3.28Å; Q624-K648 PolarHBondContact O-N 3.31Å; Q624-K648 PolarHBondContact OE1-O 3.11Å; V626-K648 HydrophobicContact CG2-CB 3.69Å; V626-K648 HydrophobicContact CG2-CD 4.18Å
649	T	77.9	Confident	66.6	Low	8 Å²	8	64 Å²	64	5%	0.049	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	155.2	178.7	68.6	0	0	0	0	111.7	M539 I540 A542 I619 I647	M539-T649 HydrophobicContact CB-CG2 4.46Å; M539-T649 HydrophobicContact CG-CG2 4.2Å; M539-T649 HydrophobicContact SD-CG2 4.25Å; I540-T649 PolarHBondContact O-N 3.36Å; A542-T649 PolarHBondContact N-O 2.8Å; I619-T649 HydrophobicContact CG1-CG2 3.92Å; I647-T649 HydrophobicContact CG2-CG2 3.85Å; I647-T649 PolarHBondContact O-N 3.23Å
650	N	72.1	Confident	68.4	Low	67 Å²	67	57.5 Å²	57.5	36%	0.358	29%	0.288	S	S	.	.			trans	-85.5	141.5	170.3	-69	-28.9	0	0	0	109.3	N652 Q653	N650-N652 PolarHBondContact O-N 2.94Å; N650-Q653 HydrophobicContact CB-CG 4.4Å; N650-Q653 PolarHBondContact O-N 2.93Å
651	Q	66.2	Low	69.7	Low	112 Å²	112	55.7 Å²	55.7	52%	0.523	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.3	-177.4	-74.7	-174.3	-23.6	0	0	114.1	N541	N541-Q651 HydrophobicContact CB-CG 4.39Å
652	N	65.9	Low	70.8	Confident	154 Å²	154	55.3 Å²	55.3	82%	0.824	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-19	-178.2	-63.3	-9.2	0	0	0	113	N650	N650-N652 PolarHBondContact O-N 2.94Å
653	Q	68.9	Low	71.5	Confident	37 Å²	37	55 Å²	55	17%	0.173	27%	0.268	C	S	.	.			trans	-88.6	116.2	-179.4	-70.7	-178.6	-40.6	0	0	109.3	N597 G618 N650	N597-Q653 PolarHBondContact O-NE2 2.81Å; G618-Q653 VanDerWaalsContact O-CB 3.25Å; G618-Q653 WeakPolarHBondContact O-CB 3.46Å; G618-Q653 PolarHBondContact O-OE1 3.46Å; N650-Q653 HydrophobicContact CB-CG 4.4Å; N650-Q653 PolarHBondContact O-N 2.93Å
654	K	71.8	Confident	71.8	Confident	157 Å²	157	54.1 Å²	54.1	68%	0.683	26%	0.264	S	S	*	.			trans	-125.4	151.2	-178	-69.2	-178.1	-178.7	174.9	0	109.8	Q656	K654-Q656 PolarHBondContact O-N 3.07Å
655	F	77.3	Confident	71.3	Confident	33 Å²	33	59.3 Å²	59.3	15%	0.145	29%	0.292	C	S	.	.			trans	-66.1	111.6	171.5	-161.5	-86.3	0	0	0	110.4	L428 K565 I615 E616 T617	L428-F655 HydrophobicContact CD2-CE2 3.4Å; L428-F655 VanDerWaalsContact CD2-CE2 3.4Å; L428-F655 HydrophobicContact CD2-CZ 3.84Å; K565-F655 HydrophobicContact CB-CD1 3.87Å; K565-F655 HydrophobicContact CB-CD2 4.06Å; K565-F655 HydrophobicContact CB-CE1 3.82Å; K565-F655 HydrophobicContact CB-CE2 4.07Å; K565-F655 HydrophobicContact CB-CG 3.93Å; K565-F655 HydrophobicContact CB-CZ 3.9Å; K565-F655 HydrophobicContact CD-CB 4.1Å; K565-F655 HydrophobicContact CD-CD1 3.63Å; K565-F655 HydrophobicContact CD-CE1 4.21Å; K565-F655 HydrophobicContact CD-CG 3.97Å; K565-F655 HydrophobicContact CG-CD1 3.47Å; K565-F655 VanDerWaalsContact CG-CD1 3.47Å; K565-F655 HydrophobicContact CG-CE1 3.53Å; K565-F655 HydrophobicContact CG-CG 3.99Å; K565-F655 HydrophobicContact CG-CZ 4.13Å; I615-F655 HydrophobicContact CB-CZ 4.49Å; I615-F655 HydrophobicContact CD1-CE1 4.44Å; I615-F655 HydrophobicContact CG2-CD1 3.83Å; I615-F655 HydrophobicContact CG2-CD2 4.47Å; I615-F655 HydrophobicContact CG2-CE1 3.17Å; I615-F655 HydrophobicContact CG2-CE2 3.88Å; I615-F655 HydrophobicContact CG2-CG 4.46Å; I615-F655 HydrophobicContact CG2-CZ 3.23Å; E616-F655 CarbonylContact O-C 3.51Å; E616-F655 WeakPolarHBondContact O-CA 3.26Å; T617-F655 HydrophobicContact CG2-CD2 4.41Å; T617-F655 HydrophobicContact CG2-CE2 3.98Å
656	Q	75.5	Confident	70.2	Confident	83 Å²	83	62.5 Å²	62.5	39%	0.388	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.5	-173.9	177.2	168.9	-9.9	0	0	111.3	I615 E616 K654	I615-Q656 CarbonylContact C-O 3.59Å; I615-Q656 WeakPolarHBondContact CA-O 3.26Å; E616-Q656 PolarHBondContact N-O 3.49Å; E616-Q656 PolarHBondContact O-N 3.19Å; K654-Q656 PolarHBondContact O-N 3.07Å
657	I	71.9	Confident	69.2	Low	51 Å²	51	68 Å²	68	26%	0.262	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.4	170.8	-51.8	166.5	0	0	0	106.9	L572	L572-I657 HydrophobicContact CB-CD1 3.91Å; L572-I657 HydrophobicContact CD2-CD1 3.26Å; L572-I657 HydrophobicContact CD2-CG1 3.72Å; L572-I657 HydrophobicContact CG-CD1 4.15Å
658	M	67.8	Low	68.5	Low	25 Å²	25	73.1 Å²	73.1	12%	0.123	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-45.5	-179.5	-70.3	-59.5	-55.3	0	0	111.9	T614 E616 H750 L769	T614-M658 HydrophobicContact CG2-CB 3.94Å; T614-M658 HydrophobicContact CG2-CG 4.47Å; T614-M658 PolarHBondContact O-N 2.04Å; E616-M658 HydrophobicContact CB-CG 3.77Å; E616-M658 HydrophobicContact CB-SD 4.03Å; M658-H750 PolarHBondContact O-CD2 3.31Å; M658-H750 VanDerWaalsContact O-CG 3.29Å; M658-L769 HydrophobicContact CE-CD1 4.34Å
659	D	68.6	Low	68.1	Low	18 Å²	18	70.6 Å²	70.6	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	164	-176.8	-149.4	-16.9	0	0	0	112.3	T614 F661	T614-D659 PolarHBondContact N-O 3.44Å; T614-D659 PolarHBondContact O-N 3.33Å; D659-F661 HydrophobicContact CB-CE1 4.41Å; D659-F661 HydrophobicContact CB-CE2 3.79Å; D659-F661 HydrophobicContact CB-CZ 3.6Å; D659-F661 VanDerWaalsContact CG-CZ 3.45Å; D659-F661 VanDerWaalsContact OD2-CE1 3.29Å; D659-F661 WeakPolarHBondContact OD2-CE1 3.33Å; D659-F661 WeakPolarHBondContact OD2-CZ 3.47Å
660	Q	70.7	Confident	68.1	Low	73 Å²	73	73.2 Å²	73.2	34%	0.341	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.1	173.9	-178.1	-172.2	8.6	0	0	110.8	N573 I612 Y613	N573-Q660 PolarHBondContact OD1-NE2 2.89Å; N573-Q660 PolarHBondContact OD1-OE1 3.35Å; I612-Q660 CarbonylContact O-C 3.57Å; I612-Q660 VanDerWaalsContact O-CA 3.3Å; I612-Q660 WeakPolarHBondContact O-CA 3.46Å; Y613-Q660 HydrophobicContact CD1-CB 4.21Å; Y613-Q660 HydrophobicContact CD1-CG 4.08Å; Y613-Q660 HydrophobicContact CE1-CB 4.21Å; Y613-Q660 HydrophobicContact CE1-CG 3.71Å; Y613-Q660 PolarHBondContact OH-NE2 2.97Å
661	F	68.3	Low	68.4	Low	29 Å²	29	70 Å²	70	13%	0.127	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.5	177.4	-53.8	-76.3	0	0	0	111.6	T611 I612 D659 I724 I725	T611-F661 CarbonylContact C-O 3.57Å; T611-F661 WeakPolarHBondContact CA-O 2.99Å; I612-F661 HydrophobicContact CB-CB 4.29Å; I612-F661 HydrophobicContact CB-CD2 4.34Å; I612-F661 HydrophobicContact CD1-CB 4.27Å; I612-F661 PolarHBondContact N-O 3Å; I612-F661 PolarHBondContact O-N 2.99Å; D659-F661 HydrophobicContact CB-CE1 4.41Å; D659-F661 HydrophobicContact CB-CE2 3.79Å; D659-F661 HydrophobicContact CB-CZ 3.6Å; D659-F661 VanDerWaalsContact CG-CZ 3.45Å; D659-F661 VanDerWaalsContact OD2-CE1 3.29Å; D659-F661 WeakPolarHBondContact OD2-CE1 3.33Å; D659-F661 WeakPolarHBondContact OD2-CZ 3.47Å; F661-I724 HydrophobicContact CD1-CG2 4.1Å; F661-I724 HydrophobicContact CE1-CG2 3.78Å; F661-I725 HydrophobicContact CE1-CG1 4.15Å; F661-I725 HydrophobicContact CE2-CD1 4.47Å; F661-I725 HydrophobicContact CE2-CG1 4.44Å; F661-I725 HydrophobicContact CZ-CD1 3.92Å; F661-I725 HydrophobicContact CZ-CG1 3.45Å; F661-I725 VanDerWaalsContact CZ-CG1 3.45Å
662	T	67.6	Low	69	Low	66 Å²	66	68.3 Å²	68.3	41%	0.405	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.1	163.7	51.9	0	0	0	0	109.3	T611	T611-T662 HydrophobicContact CG2-CG2 3.71Å
663	I	62.7	Low	69.8	Low	38 Å²	38	61.7 Å²	61.7	20%	0.195	30%	0.303	C	S	.	.			trans	-79.5	-48.6	-171.4	-53.7	168.1	0	0	0	110.9	N610 I612 I671 M685 I717	N610-I663 PolarHBondContact O-N 3.21Å; I612-I663 HydrophobicContact CD1-CD1 3.26Å; I612-I663 HydrophobicContact CD1-CG1 3.59Å; I612-I663 HydrophobicContact CG1-CD1 3.64Å; I612-I663 HydrophobicContact CG1-CG1 4.1Å; I663-I671 HydrophobicContact CD1-CD1 4.02Å; I663-M685 HydrophobicContact CB-CE 4.34Å; I663-M685 HydrophobicContact CD1-CE 3.14Å; I663-M685 HydrophobicContact CD1-SD 3.11Å; I663-M685 WeakPolarHBondContact CD1-SD 3.44Å; I663-M685 HydrophobicContact CG1-CE 4.35Å; I663-M685 HydrophobicContact CG2-CE 3.95Å; I663-I717 HydrophobicContact CG2-CD1 4Å; I663-I717 HydrophobicContact CG2-CG2 4.4Å
664	I	62.5	Low	70.6	Confident	34 Å²	34	60 Å²	60	17%	0.174	30%	0.296	C	S	.	.			trans	-143.2	113.4	-176.5	-73.2	158.8	0	0	0	109.1	N610 N666 M687 I717	N610-I664 PolarHBondContact ND2-O 3.18Å; I664-N666 HydrophobicContact CG2-CB 3.5Å; I664-N666 VanDerWaalsContact CG2-N 3.28Å; I664-N666 PolarHBondContact O-N 2.88Å; I664-M687 HydrophobicContact CB-CE 4.33Å; I664-M687 HydrophobicContact CD1-CE 3.7Å; I664-M687 HydrophobicContact CD1-SD 3.44Å; I664-M687 WeakPolarHBondContact CD1-SD 3.38Å; I664-I717 HydrophobicContact CD1-CD1 3.32Å; I664-I717 HydrophobicContact CG1-CD1 4.4Å
665	D	54.1	Low	71.2	Confident	144 Å²	144	54.6 Å²	54.6	77%	0.77	27%	0.272	S	S	*	.			trans	-79.6	4.3	170.9	-166.9	27	0	0	0	112.6	N667	D665-N667 PolarHBondContact O-N 3.15Å
666	N	55.3	Low	71.6	Confident	96 Å²	96	54.6 Å²	54.6	51%	0.513	27%	0.272	S	S	.	.			trans	-80	111.3	173.8	-68.4	-20.1	0	0	0	109.6	I664 Y668 Y669	I664-N666 HydrophobicContact CG2-CB 3.5Å; I664-N666 VanDerWaalsContact CG2-N 3.28Å; I664-N666 PolarHBondContact O-N 2.88Å; N666-Y668 HydrophobicContact CB-CD2 4.08Å; N666-Y668 PolarHBondContact O-N 3.29Å; N666-Y669 PolarHBondContact O-N 3.28Å
667	N	63.2	Low	71.9	Confident	127 Å²	127	50.6 Å²	50.6	68%	0.679	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	9	173.8	-68.6	-25	0	0	0	116.1	D665 H691	D665-N667 PolarHBondContact O-N 3.15Å; N667-H691 PolarHBondContact O-ND1 2.81Å
668	Y	69.9	Low	72	Confident	108 Å²	108	53 Å²	53	42%	0.424	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-24.6	-179.7	-64.5	-55.3	0	0	0	113.2	N666 F689 I690 H691	N666-Y668 HydrophobicContact CB-CD2 4.08Å; N666-Y668 PolarHBondContact O-N 3.29Å; Y668-F689 HydrophobicContact CD1-CE2 4.32Å; Y668-F689 HydrophobicContact CG-CE2 4.23Å; Y668-F689 CarbonylContact O-C 3.54Å; Y668-F689 VanDerWaalsContact O-CA 3.32Å; Y668-F689 WeakPolarHBondContact O-CA 3.43Å; Y668-F689 WeakPolarHBondContact O-CD2 3.49Å; Y668-I690 PolarHBondContact O-N 3.07Å; Y668-H691 HydrophobicContact CD1-CB 3.79Å; Y668-H691 AromaticContact CD1-CG 3.65Å; Y668-H691 AromaticContact CD1-ND1 3.93Å; Y668-H691 HydrophobicContact CE1-CB 4.36Å; Y668-H691 AromaticContact CE1-CD2 3.87Å; Y668-H691 AromaticContact CE1-CG 3.93Å
669	Y	72.1	Confident	72.4	Confident	23 Å²	23	58.9 Å²	58.9	9%	0.09	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.9	-178.7	-66.8	-87.6	0	0	0	110.8	N610 N666 M687 K688 F689 K715	N610-Y669 PolarHBondContact ND2-O 2.96Å; N610-Y669 PolarHBondContact OD1-O 3.14Å; N666-Y669 PolarHBondContact O-N 3.28Å; Y669-M687 HydrophobicContact CD1-CB 4.38Å; Y669-K688 CarbonylContact C-O 3.53Å; Y669-K688 VanDerWaalsContact CA-O 3.26Å; Y669-K688 WeakPolarHBondContact CA-O 3.4Å; Y669-F689 HydrophobicContact CD1-CB 4.04Å; Y669-F689 HydrophobicContact CD1-CD2 4.22Å; Y669-F689 HydrophobicContact CD2-CD2 4.37Å; Y669-F689 HydrophobicContact CE1-CB 3.81Å; Y669-F689 AromaticContact CE1-CD2 3.81Å; Y669-F689 HydrophobicContact CE1-CD2 3.81Å; Y669-F689 HydrophobicContact CE1-CG 4.3Å; Y669-F689 AromaticContact CE2-CD2 3.97Å; Y669-F689 HydrophobicContact CE2-CD2 3.97Å; Y669-F689 HydrophobicContact CE2-CE2 4.48Å; Y669-F689 HydrophobicContact CG-CD2 4.48Å; Y669-F689 AromaticContact CZ-CD2 3.67Å; Y669-K715 HydrophobicContact CE1-CD 4.19Å; Y669-K715 HydrophobicContact CE1-CG 4.16Å; Y669-K715 WeakPolarHBondContact OH-CE 2.96Å
670	I	77.1	Confident	72.6	Confident	62 Å²	62	60.2 Å²	60.2	32%	0.318	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.9	171.7	-96.7	158.3	0	0	0	107.3	I584 N610 M687 K688 I690	I584-I670 HydrophobicContact CD1-CG2 4.29Å; N610-I670 WeakPolarHBondContact OD1-CA 3.33Å; I670-M687 CarbonylContact O-C 3.44Å; I670-M687 WeakPolarHBondContact O-CA 3.22Å; I670-K688 PolarHBondContact N-O 3.06Å; I670-K688 PolarHBondContact O-N 3.26Å; I670-I690 HydrophobicContact CB-CD1 3.65Å; I670-I690 HydrophobicContact CB-CG1 3.72Å; I670-I690 HydrophobicContact CD1-CD1 3.33Å; I670-I690 HydrophobicContact CD1-CG1 3.53Å; I670-I690 HydrophobicContact CD1-CG2 4.37Å; I670-I690 HydrophobicContact CG1-CD1 3.31Å; I670-I690 HydrophobicContact CG1-CG1 3.8Å
671	I	79	Confident	72.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.3	170.1	-54.3	176.3	0	0	0	109.8	I584 V606 N610 I663 M685 M687	I584-I671 VanDerWaalsContact CD1-O 3.24Å; I584-I671 WeakPolarHBondContact CD1-O 3.32Å; V606-I671 HydrophobicContact CB-CD1 4.06Å; V606-I671 HydrophobicContact CB-CG2 3.93Å; V606-I671 HydrophobicContact CG1-CD1 4.11Å; V606-I671 HydrophobicContact CG1-CG2 4.21Å; V606-I671 HydrophobicContact CG2-CG2 3.9Å; N610-I671 VanDerWaalsContact CA-CD1 3.44Å; N610-I671 HydrophobicContact CB-CD1 4.23Å; N610-I671 HydrophobicContact CB-CG1 4.26Å; N610-I671 PolarHBondContact OD1-N 2.95Å; I663-I671 HydrophobicContact CD1-CD1 4.02Å; I671-M685 HydrophobicContact CB-CG 4.44Å; I671-M685 HydrophobicContact CB-SD 4.02Å; I671-M685 HydrophobicContact CD1-CE 4.24Å; I671-M685 HydrophobicContact CD1-SD 3.2Å; I671-M685 WeakPolarHBondContact CD1-SD 3.46Å; I671-M685 HydrophobicContact CG1-CE 3.99Å; I671-M685 HydrophobicContact CG1-CG 4.29Å; I671-M685 HydrophobicContact CG1-SD 3.3Å; I671-M685 WeakPolarHBondContact CG1-SD 3.37Å; I671-M685 HydrophobicContact CG2-CG 3.52Å; I671-M685 HydrophobicContact CG2-SD 3.58Å; I671-M685 VanDerWaalsContact CG2-SD 3.58Å; I671-M687 HydrophobicContact CG1-CE 4.25Å
672	Q	79.5	Confident	73.2	Confident	76 Å²	76	57.6 Å²	57.6	36%	0.355	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-43.5	174.5	-176.5	176.3	-18.1	0	0	112.4	I584 N686	I584-Q672 WeakPolarHBondContact CG2-O 3.11Å; Q672-N686 PolarHBondContact N-O 3.43Å; Q672-N686 PolarHBondContact OE1-ND2 3.31Å
673	S	83	Confident	74	Confident	14 Å²	14	54.4 Å²	54.4	10%	0.098	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	159.6	-179	60.2	0	0	0	0	111.3	D585 H675 M685 N686	D585-S673 VanDerWaalsContact OD2-CA 3.3Å; D585-S673 WeakPolarHBondContact OD2-CA 3.5Å; D585-S673 WeakPolarHBondContact OD2-CB 3.11Å; S673-H675 PolarHBondContact OG-NE2 3.42Å; S673-M685 WeakPolarHBondContact O-CG 3.41Å; S673-N686 PolarHBondContact N-O 3.1Å; S673-N686 PolarHBondContact O-N 3.4Å
674	I	85.5	Confident	74.8	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.1	175.3	-171.9	166.9	0	0	0	110.4	D585 T587 V606 I612 L683	D585-I674 HydrophobicContact CB-CG2 4.46Å; D585-I674 PolarHBondContact OD2-N 3.21Å; T587-I674 HydrophobicContact CG2-CD1 4.39Å; T587-I674 HydrophobicContact CG2-CG1 4.06Å; T587-I674 HydrophobicContact CG2-CG2 4.16Å; V606-I674 HydrophobicContact CB-CG2 4.49Å; V606-I674 HydrophobicContact CG1-CB 3.76Å; V606-I674 HydrophobicContact CG1-CD1 3.59Å; V606-I674 HydrophobicContact CG1-CG1 4.22Å; V606-I674 HydrophobicContact CG1-CG2 3.94Å; V606-I674 HydrophobicContact CG2-CB 4.1Å; V606-I674 HydrophobicContact CG2-CG2 3.77Å; I612-I674 HydrophobicContact CG2-CD1 4.48Å; I674-L683 HydrophobicContact CD1-CD1 4.3Å; I674-L683 HydrophobicContact CD1-CD2 4.46Å
675	H	84.5	Confident	75.5	Confident	42 Å²	42	51 Å²	51	19%	0.194	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.8	-178.4	-56.2	-72.7	0	0	0	109.8	L59 S673 T684	L59-H675 HydrophobicContact CD1-CB 3.88Å; L59-H675 HydrophobicContact CD2-CB 4.05Å; S673-H675 PolarHBondContact OG-NE2 3.42Å; H675-T684 PolarHBondContact N-O 2.84Å; H675-T684 PolarHBondContact O-N 3.47Å
676	K	84.4	Confident	76.6	Confident	33 Å²	33	44.5 Å²	44.5	14%	0.143	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.4	173	-168	-160.7	157	-175.2	0	109.1	T587 H589 L683	T587-K676 HydrophobicContact CG2-CB 4.09Å; H589-K676 HydrophobicContact CB-CD 4.11Å; H589-K676 WeakPolarHBondContact CD2-CE 3.17Å; H589-K676 PolarHBondContact CD2-NZ 3.32Å; K676-L683 HydrophobicContact CB-CD2 4.13Å; K676-L683 HydrophobicContact CG-CD2 4.14Å
677	C	81.7	Confident	77.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-69.9	140.9	163.9	166.7	0	0	0	0	110.6	C60 I679 S680 M682	C60-C677 HydrophobicContact CB-CB 3.98Å; C60-C677 WeakPolarHBondContact CB-SG 3.41Å; C60-C677 WeakPolarHBondContact SG-CB 3.14Å; C60-C677 CovalentContact SG-SG 2.02Å; C60-C677 PolarHBondContact SG-SG 3.17Å; C677-I679 VanDerWaalsContact SG-CG1 3.53Å; C677-I679 PolarHBondContact SG-N 2.77Å; C677-S680 WeakPolarHBondContact CB-OG 3.17Å; C677-S680 PolarHBondContact SG-N 3.15Å; C677-S680 PolarHBondContact SG-OG 2.71Å; C677-M682 HydrophobicContact CB-CB 4.27Å; C677-M682 WeakPolarHBondContact CB-O 3.45Å; C677-M682 PolarHBondContact N-O 2.94Å
678	D	74.6	Confident	77.9	Confident	101 Å²	101	39.2 Å²	39.2	54%	0.54	19%	0.194	S	C	.	.	S	Bend	trans	-74	-33	-176.9	-56.3	-36.7	0	0	0	112	S44	S44-D678 PolarHBondContact N-OD2 2.5Å; S44-D678 WeakPolarHBondContact OG-CB 3.16Å; S44-D678 PolarHBondContact OG-N 2.86Å; S44-D678 PolarHBondContact OG-OD2 3.01Å
679	I	75.3	Confident	77.9	Confident	148 Å²	148	36.3 Å²	36.3	76%	0.759	18%	0.183	S	C	*	.	S	Bend	trans	-102.3	-4.2	-173.8	60.3	169.5	0	0	0	114.3	C60 C677	C60-I679 HydrophobicContact CB-CG1 4.41Å; C677-I679 VanDerWaalsContact SG-CG1 3.53Å; C677-I679 PolarHBondContact SG-N 2.77Å
680	S	72.6	Confident	77.6	Confident	46 Å²	46	38.8 Å²	38.8	32%	0.322	20%	0.197	S	C	.	.	S	Bend	trans	-145.5	170.4	-179.4	79.5	0	0	0	0	111.9	C677 M682	C677-S680 WeakPolarHBondContact CB-OG 3.17Å; C677-S680 PolarHBondContact SG-N 3.15Å; C677-S680 PolarHBondContact SG-OG 2.71Å; S680-M682 PolarHBondContact O-N 2.92Å; S680-M682 WeakPolarHBondContact OG-CB 3.38Å; S680-M682 PolarHBondContact OG-N 2.9Å; S680-M682 VanDerWaalsContact OG-N 3.15Å
681	S	73.1	Confident	76.8	Confident	22 Å²	22	39.9 Å²	39.9	15%	0.154	20%	0.201	C	C	.	.	S	Bend	trans	-76.9	3.8	172.6	60.2	0	0	0	0	113.7	N720 P721	S681-N720 PolarHBondContact OG-ND2 3.42Å; S681-N720 PolarHBondContact OG-OD1 2.96Å; S681-P721 WeakPolarHBondContact O-CD 3.41Å
682	M	80.4	Confident	75.5	Confident	25 Å²	25	44.6 Å²	44.6	12%	0.123	23%	0.232	C	C	.	.			trans	-66.5	137	-177.5	-157	171	81.8	0	0	111.9	L59 C60 C677 S680 H718 F719	L59-M682 WeakPolarHBondContact O-CE 3.34Å; C60-M682 VanDerWaalsContact CA-CE 3.41Å; C60-M682 VanDerWaalsContact O-CE 3.26Å; C60-M682 WeakPolarHBondContact O-CE 3.37Å; C677-M682 HydrophobicContact CB-CB 4.27Å; C677-M682 WeakPolarHBondContact CB-O 3.45Å; C677-M682 PolarHBondContact N-O 2.94Å; S680-M682 PolarHBondContact O-N 2.92Å; S680-M682 WeakPolarHBondContact OG-CB 3.38Å; S680-M682 PolarHBondContact OG-N 2.9Å; S680-M682 VanDerWaalsContact OG-N 3.15Å; M682-H718 HydrophobicContact CE-CB 3.76Å; M682-H718 HydrophobicContact SD-CB 4.15Å; M682-F719 VanDerWaalsContact CG-O 3.31Å; M682-F719 WeakPolarHBondContact CG-O 3.3Å
683	L	82.4	Confident	74.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.9	175.1	-65.3	173.3	0	0	0	109.6	T587 Y604 I674 K676 H718 F719 P721	T587-L683 HydrophobicContact CG2-CD2 3.84Å; Y604-L683 HydrophobicContact CD1-CD1 3.55Å; Y604-L683 HydrophobicContact CD2-CD1 4Å; Y604-L683 HydrophobicContact CD2-CD2 3.83Å; Y604-L683 HydrophobicContact CE1-CD1 3.71Å; Y604-L683 HydrophobicContact CE2-CD1 4.15Å; Y604-L683 HydrophobicContact CE2-CD2 4.07Å; Y604-L683 HydrophobicContact CG-CD1 3.68Å; Y604-L683 HydrophobicContact CG-CD2 4.23Å; I674-L683 HydrophobicContact CD1-CD1 4.3Å; I674-L683 HydrophobicContact CD1-CD2 4.46Å; K676-L683 HydrophobicContact CB-CD2 4.13Å; K676-L683 HydrophobicContact CG-CD2 4.14Å; L683-H718 WeakPolarHBondContact O-CA 3.49Å; L683-F719 HydrophobicContact CB-CD1 4.5Å; L683-F719 HydrophobicContact CB-CE1 3.9Å; L683-F719 HydrophobicContact CB-CE2 4Å; L683-F719 HydrophobicContact CB-CZ 3.58Å; L683-F719 HydrophobicContact CD1-CE2 3.74Å; L683-F719 HydrophobicContact CD1-CZ 3.71Å; L683-F719 HydrophobicContact CG-CE2 4.44Å; L683-F719 HydrophobicContact CG-CZ 4.3Å; L683-F719 PolarHBondContact N-O 2.88Å; L683-F719 PolarHBondContact O-N 2.96Å; L683-P721 HydrophobicContact CD1-CB 4.08Å; L683-P721 HydrophobicContact CD1-CG 3.73Å; L683-P721 HydrophobicContact CG-CG 4.1Å
684	T	79.7	Confident	72.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.5	175.2	-60	0	0	0	0	109.3	L59 H675 M716 I717 H718	L59-T684 WeakPolarHBondContact CA-OG1 3.39Å; L59-T684 HydrophobicContact CD2-CG2 3.65Å; L59-T684 PolarHBondContact O-OG1 3.4Å; H675-T684 PolarHBondContact N-O 2.84Å; H675-T684 PolarHBondContact O-N 3.47Å; T684-M716 HydrophobicContact CG2-CB 4.35Å; T684-M716 HydrophobicContact CG2-CG 4.41Å; T684-M716 HydrophobicContact CG2-SD 4.23Å; T684-I717 CarbonylContact C-O 3.59Å; T684-I717 WeakPolarHBondContact CA-O 3.2Å; T684-H718 PolarHBondContact OG1-CD2 3.48Å
685	M	78	Confident	70.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.6	-175.6	-174.2	-176.5	65.9	0	0	110.6	I663 I671 S673 M687 M716 I717	I663-M685 HydrophobicContact CB-CE 4.34Å; I663-M685 HydrophobicContact CD1-CE 3.14Å; I663-M685 HydrophobicContact CD1-SD 3.11Å; I663-M685 WeakPolarHBondContact CD1-SD 3.44Å; I663-M685 HydrophobicContact CG1-CE 4.35Å; I663-M685 HydrophobicContact CG2-CE 3.95Å; I671-M685 HydrophobicContact CB-CG 4.44Å; I671-M685 HydrophobicContact CB-SD 4.02Å; I671-M685 HydrophobicContact CD1-CE 4.24Å; I671-M685 HydrophobicContact CD1-SD 3.2Å; I671-M685 WeakPolarHBondContact CD1-SD 3.46Å; I671-M685 HydrophobicContact CG1-CE 3.99Å; I671-M685 HydrophobicContact CG1-CG 4.29Å; I671-M685 HydrophobicContact CG1-SD 3.3Å; I671-M685 WeakPolarHBondContact CG1-SD 3.37Å; I671-M685 HydrophobicContact CG2-CG 3.52Å; I671-M685 HydrophobicContact CG2-SD 3.58Å; I671-M685 VanDerWaalsContact CG2-SD 3.58Å; S673-M685 WeakPolarHBondContact O-CG 3.41Å; M685-M687 HydrophobicContact CE-CE 3.99Å; M685-M687 HydrophobicContact CE-CG 3.48Å; M685-M687 VanDerWaalsContact CE-CG 3.48Å; M685-M687 HydrophobicContact CE-SD 3.49Å; M685-M687 WeakPolarHBondContact CE-SD 3Å; M685-M687 HydrophobicContact CG-CG 4.48Å; M685-M716 VanDerWaalsContact O-CA 3.29Å; M685-M716 WeakPolarHBondContact O-CA 3.36Å; M685-I717 HydrophobicContact CE-CB 4.28Å; M685-I717 HydrophobicContact CE-CD1 4.16Å; M685-I717 PolarHBondContact N-O 2.85Å; M685-I717 PolarHBondContact O-N 2.94Å
686	N	76.3	Confident	68.7	Low	7 Å²	7	63.2 Å²	63.2	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	174.4	-178.6	32.4	0	0	0	110	I38 Q672 S673	I38-N686 HydrophobicContact CD1-CB 4.28Å; I38-N686 WeakPolarHBondContact CD1-ND2 3.27Å; Q672-N686 PolarHBondContact N-O 3.43Å; Q672-N686 PolarHBondContact OE1-ND2 3.31Å; S673-N686 PolarHBondContact N-O 3.1Å; S673-N686 PolarHBondContact O-N 3.4Å
687	M	73.3	Confident	66.8	Low	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.3	-179.5	-57.1	-170.2	85.3	0	0	111.6	I664 Y669 I670 I671 M685 N714 K715 I717	I664-M687 HydrophobicContact CB-CE 4.33Å; I664-M687 HydrophobicContact CD1-CE 3.7Å; I664-M687 HydrophobicContact CD1-SD 3.44Å; I664-M687 WeakPolarHBondContact CD1-SD 3.38Å; Y669-M687 HydrophobicContact CD1-CB 4.38Å; I670-M687 CarbonylContact O-C 3.44Å; I670-M687 WeakPolarHBondContact O-CA 3.22Å; I671-M687 HydrophobicContact CG1-CE 4.25Å; M685-M687 HydrophobicContact CE-CE 3.99Å; M685-M687 HydrophobicContact CE-CG 3.48Å; M685-M687 VanDerWaalsContact CE-CG 3.48Å; M685-M687 HydrophobicContact CE-SD 3.49Å; M685-M687 WeakPolarHBondContact CE-SD 3Å; M685-M687 HydrophobicContact CG-CG 4.48Å; M687-N714 CarbonylContact O-C 3.55Å; M687-N714 WeakPolarHBondContact O-CA 3.5Å; M687-N714 WeakPolarHBondContact O-CB 3.3Å; M687-K715 WeakPolarHBondContact CB-O 3.41Å; M687-K715 PolarHBondContact N-O 3.16Å; M687-K715 PolarHBondContact O-N 3.31Å; M687-I717 HydrophobicContact CG-CD1 4.47Å; M687-I717 HydrophobicContact SD-CD1 3.32Å; M687-I717 WeakPolarHBondContact SD-CD1 3.45Å; M687-I717 HydrophobicContact SD-CG1 4.07Å
688	K	73	Confident	65.4	Low	110 Å²	110	76.8 Å²	76.8	48%	0.478	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.1	176.5	-176.8	176	-179.6	178.6	0	111.4	Y669 I670 N714	Y669-K688 CarbonylContact C-O 3.53Å; Y669-K688 VanDerWaalsContact CA-O 3.26Å; Y669-K688 WeakPolarHBondContact CA-O 3.4Å; I670-K688 PolarHBondContact N-O 3.06Å; I670-K688 PolarHBondContact O-N 3.26Å; K688-N714 WeakPolarHBondContact CA-OD1 3.47Å
689	F	69.4	Low	64.1	Low	47 Å²	47	77 Å²	77	21%	0.206	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.6	173.2	-173.4	-100.7	0	0	0	111	Y668 Y669 H691 K712	Y668-F689 HydrophobicContact CD1-CE2 4.32Å; Y668-F689 HydrophobicContact CG-CE2 4.23Å; Y668-F689 CarbonylContact O-C 3.54Å; Y668-F689 VanDerWaalsContact O-CA 3.32Å; Y668-F689 WeakPolarHBondContact O-CA 3.43Å; Y668-F689 WeakPolarHBondContact O-CD2 3.49Å; Y669-F689 HydrophobicContact CD1-CB 4.04Å; Y669-F689 HydrophobicContact CD1-CD2 4.22Å; Y669-F689 HydrophobicContact CD2-CD2 4.37Å; Y669-F689 HydrophobicContact CE1-CB 3.81Å; Y669-F689 AromaticContact CE1-CD2 3.81Å; Y669-F689 HydrophobicContact CE1-CD2 3.81Å; Y669-F689 HydrophobicContact CE1-CG 4.3Å; Y669-F689 AromaticContact CE2-CD2 3.97Å; Y669-F689 HydrophobicContact CE2-CD2 3.97Å; Y669-F689 HydrophobicContact CE2-CE2 4.48Å; Y669-F689 HydrophobicContact CG-CD2 4.48Å; Y669-F689 AromaticContact CZ-CD2 3.67Å; F689-H691 HydrophobicContact CE1-CB 4.01Å; F689-H691 WeakPolarHBondContact CE1-O 3.26Å; F689-H691 HydrophobicContact CZ-CB 3.87Å; F689-K712 HydrophobicContact CE2-CD 4.33Å; F689-K712 HydrophobicContact CZ-CD 4.4Å
690	I	67.4	Low	62.5	Low	75 Å²	75	72.7 Å²	72.7	39%	0.385	37%	0.368	S	S	.	.			trans	-103.5	-29.7	-171.3	-47.8	140.7	0	0	0	112.3	Y668 I670 P692	Y668-I690 PolarHBondContact O-N 3.07Å; I670-I690 HydrophobicContact CB-CD1 3.65Å; I670-I690 HydrophobicContact CB-CG1 3.72Å; I670-I690 HydrophobicContact CD1-CD1 3.33Å; I670-I690 HydrophobicContact CD1-CG1 3.53Å; I670-I690 HydrophobicContact CD1-CG2 4.37Å; I670-I690 HydrophobicContact CG1-CD1 3.31Å; I670-I690 HydrophobicContact CG1-CG1 3.8Å; I690-P692 VanDerWaalsContact O-CD 3.28Å; I690-P692 WeakPolarHBondContact O-CD 3.28Å
691	H	60.6	Low	61.5	Low	86 Å²	86	76.7 Å²	76.7	40%	0.398	39%	0.385	S	S	.	.			trans	-77.8	120.2	-160.7	-115.6	64.5	0	0	0	112.8	N667 Y668 F689 I693	N667-H691 PolarHBondContact O-ND1 2.81Å; Y668-H691 HydrophobicContact CD1-CB 3.79Å; Y668-H691 AromaticContact CD1-CG 3.65Å; Y668-H691 AromaticContact CD1-ND1 3.93Å; Y668-H691 HydrophobicContact CE1-CB 4.36Å; Y668-H691 AromaticContact CE1-CD2 3.87Å; Y668-H691 AromaticContact CE1-CG 3.93Å; F689-H691 HydrophobicContact CE1-CB 4.01Å; F689-H691 WeakPolarHBondContact CE1-O 3.26Å; F689-H691 HydrophobicContact CZ-CB 3.87Å; H691-I693 PolarHBondContact O-N 3.19Å
692	P	51.1	Low	60.4	Low	100 Å²	100	78.5 Å²	78.5	65%	0.649	40%	0.402	S	S	*	.			trans	-67.8	131.3	171.3	26.5	-30.3	0	0	0	109.4	I690 K694	I690-P692 VanDerWaalsContact O-CD 3.28Å; I690-P692 WeakPolarHBondContact O-CD 3.28Å; P692-K694 PolarHBondContact O-N 2.94Å
693	I	49.6	Very low	58.9	Low	74 Å²	74	83 Å²	83	38%	0.379	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-55.9	-2.3	-171.3	-69.8	158.9	0	0	0	115.2	H691 K695 I696 F705 L709	H691-I693 PolarHBondContact O-N 3.19Å; I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 3.11Å; I693-I696 PolarHBondContact O-N 2.91Å; I693-F705 HydrophobicContact CG2-CE1 3.72Å; I693-F705 HydrophobicContact CG2-CZ 3.77Å; I693-L709 HydrophobicContact CD1-CD1 3.77Å; I693-L709 HydrophobicContact CD1-CD2 3.68Å; I693-L709 HydrophobicContact CD1-CG 4.32Å; I693-L709 HydrophobicContact CG1-CD1 3.95Å
694	K	49.9	Very low	57.1	Low	197 Å²	197	88.3 Å²	88.3	86%	0.857	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-56.8	-30.4	-169.3	-87.1	-172.7	175	-179.9	0	115.6	P692	P692-K694 PolarHBondContact O-N 2.94Å
695	K	45.3	Very low	55.3	Low	200 Å²	200	89.5 Å²	89.5	87%	0.87	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-90.5	-13.2	-174.3	-87.2	-170.9	176.5	-177	0	116.7	I693	I693-K695 VanDerWaalsContact C-N 3.31Å; I693-K695 PolarHBondContact O-N 3.11Å
696	I	44.6	Very low	53.6	Low	55 Å²	55	91.9 Å²	91.9	28%	0.282	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-5.5	-173.5	-48.5	175.1	0	0	0	112.9	I693 N698 I700 F705	I693-I696 PolarHBondContact O-N 2.91Å; I696-N698 PolarHBondContact O-N 2.94Å; I696-I700 HydrophobicContact CG2-CD1 3.94Å; I696-I700 HydrophobicContact CG2-CG1 4.4Å; I696-F705 HydrophobicContact CB-CE2 3.66Å; I696-F705 HydrophobicContact CB-CZ 4.12Å; I696-F705 HydrophobicContact CG2-CD2 4.06Å; I696-F705 HydrophobicContact CG2-CE2 3.42Å; I696-F705 VanDerWaalsContact CG2-CE2 3.42Å; I696-F705 HydrophobicContact CG2-CZ 4.37Å
697	K	44.5	Very low	51.9	Low	157 Å²	157	96.4 Å²	96.4	68%	0.683	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19	-179.6	-99.6	-175.2	176.7	178.7	0	114.8
698	N	52.9	Low	50.1	Low	161 Å²	161	101.9 Å²	101.9	86%	0.861	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-11.7	-170.2	-70.1	3.8	0	0	0	115.8	I696	I696-N698 PolarHBondContact O-N 2.94Å
699	S	47.1	Very low	48.5	Very low	104 Å²	104	98.3 Å²	98.3	73%	0.727	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	2.7	-171.9	88.4	0	0	0	0	116.7
700	I	40.9	Very low	47.1	Very low	59 Å²	59	100 Å²	100	30%	0.303	51%	0.51	S	S	.	.	S	Bend	trans	-131.9	124.8	-178.7	-55.3	179.8	0	0	0	109.4	I696 A702 Q704 F705	I696-I700 HydrophobicContact CG2-CD1 3.94Å; I696-I700 HydrophobicContact CG2-CG1 4.4Å; I700-A702 PolarHBondContact O-N 3.05Å; I700-Q704 HydrophobicContact CG2-CB 4.02Å; I700-F705 HydrophobicContact CB-CD2 4.18Å; I700-F705 HydrophobicContact CG2-CB 4.14Å; I700-F705 HydrophobicContact CG2-CD2 4.4Å
701	N	52.3	Low	46	Very low	129 Å²	129	103 Å²	103	69%	0.69	53%	0.527	S	S	*	.			trans	-48.5	125.2	175.9	-153	-9.8	0	0	0	109.6	N703 Q704 F705	N701-N703 PolarHBondContact O-N 2.89Å; N701-Q704 PolarHBondContact O-N 2.88Å; N701-F705 PolarHBondContact O-N 2.83Å
702	A	49.7	Very low	45.3	Very low	60 Å²	60	102.8 Å²	102.8	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-53.5	-30	-165.5	0	0	0	0	0	113.9	I700 F705 N706	I700-A702 PolarHBondContact O-N 3.05Å; A702-F705 PolarHBondContact O-N 2.88Å; A702-N706 VanDerWaalsContact O-CG 3.29Å; A702-N706 PolarHBondContact O-N 3.43Å; A702-N706 PolarHBondContact O-ND2 2.95Å
703	N	48	Very low	45.6	Very low	120 Å²	120	100.9 Å²	100.9	64%	0.642	51%	0.507	S	S	*	.	H	α-helix	trans	-70.7	-42.9	177.6	-68.5	-13.4	0	0	0	113	N701 F705 N706 E707	N701-N703 PolarHBondContact O-N 2.89Å; N703-F705 VanDerWaalsContact C-N 3.28Å; N703-N706 PolarHBondContact O-N 2.94Å; N703-E707 PolarHBondContact O-N 2.9Å
704	Q	45.9	Very low	46	Very low	112 Å²	112	99.1 Å²	99.1	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-30.7	174.1	-116.5	-174.9	-6.3	0	0	111.4	I700 N701 K708	I700-Q704 HydrophobicContact CG2-CB 4.02Å; N701-Q704 PolarHBondContact O-N 2.88Å; Q704-K708 WeakPolarHBondContact O-CB 3.18Å; Q704-K708 PolarHBondContact O-N 2.79Å; Q704-K708 VanDerWaalsContact O-N 3.13Å
705	F	42.2	Very low	46.7	Very low	26 Å²	26	93.7 Å²	93.7	11%	0.114	48%	0.475	C	S	.	.	H	α-helix	trans	-65.5	-42.7	175.9	-165.9	-100.5	0	0	0	111.4	I693 I696 I700 N701 A702 N703 K708 L709	I693-F705 HydrophobicContact CG2-CE1 3.72Å; I693-F705 HydrophobicContact CG2-CZ 3.77Å; I696-F705 HydrophobicContact CB-CE2 3.66Å; I696-F705 HydrophobicContact CB-CZ 4.12Å; I696-F705 HydrophobicContact CG2-CD2 4.06Å; I696-F705 HydrophobicContact CG2-CE2 3.42Å; I696-F705 VanDerWaalsContact CG2-CE2 3.42Å; I696-F705 HydrophobicContact CG2-CZ 4.37Å; I700-F705 HydrophobicContact CB-CD2 4.18Å; I700-F705 HydrophobicContact CG2-CB 4.14Å; I700-F705 HydrophobicContact CG2-CD2 4.4Å; N701-F705 PolarHBondContact O-N 2.83Å; A702-F705 PolarHBondContact O-N 2.88Å; N703-F705 VanDerWaalsContact C-N 3.28Å; F705-K708 PolarHBondContact O-N 3.45Å; F705-L709 HydrophobicContact CE1-CD1 4.16Å; F705-L709 HydrophobicContact CE1-CD2 4.49Å; F705-L709 HydrophobicContact CZ-CD1 4.2Å; F705-L709 WeakPolarHBondContact O-CB 3.3Å; F705-L709 PolarHBondContact O-N 2.96Å
706	N	40.5	Very low	47.8	Very low	50 Å²	50	86 Å²	86	27%	0.267	44%	0.442	S	S	.	.	H	α-helix	trans	-69	-43.7	180	-71.4	-19.9	0	0	0	113.1	A702 N703 K708 L709 L710	A702-N706 VanDerWaalsContact O-CG 3.29Å; A702-N706 PolarHBondContact O-N 3.43Å; A702-N706 PolarHBondContact O-ND2 2.95Å; N703-N706 PolarHBondContact O-N 2.94Å; N706-K708 PolarHBondContact O-N 2.83Å; N706-L709 PolarHBondContact O-N 3.32Å; N706-L710 PolarHBondContact O-N 3.35Å
707	E	40.7	Very low	49	Very low	102 Å²	102	84.4 Å²	84.4	48%	0.477	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-41.7	174.1	-87.2	178.7	-176.1	0	0	111.5	R22 N703	R22-E707 IonicContact CZ-OE1 3.2Å; R22-E707 IonicContact NH1-OE1 3.69Å; R22-E707 IonicContact NH2-OE1 3.89Å; R22-E707 PolarHBondContact NH2-OE1 3.48Å; N703-E707 PolarHBondContact O-N 2.9Å
708	K	37.5	Very low	50.4	Low	116 Å²	116	78.7 Å²	78.7	50%	0.504	41%	0.41	S	S	.	.	H	α-helix	trans	-72.5	-26.9	176.4	-76.9	-175	174.5	-177.4	0	113.7	Q704 F705 N706	Q704-K708 WeakPolarHBondContact O-CB 3.18Å; Q704-K708 PolarHBondContact O-N 2.79Å; Q704-K708 VanDerWaalsContact O-N 3.13Å; F705-K708 PolarHBondContact O-N 3.45Å; N706-K708 PolarHBondContact O-N 2.83Å
709	L	38.6	Very low	51.4	Low	34 Å²	34	72.2 Å²	72.2	18%	0.178	37%	0.374	C	S	.	.	H	α-helix	trans	-78.1	-37.6	178.9	-164.5	82.9	0	0	0	111.8	Y33 I693 F705 N706 L711 K712	Y33-L709 HydrophobicContact CD2-CD2 4.33Å; I693-L709 HydrophobicContact CD1-CD1 3.77Å; I693-L709 HydrophobicContact CD1-CD2 3.68Å; I693-L709 HydrophobicContact CD1-CG 4.32Å; I693-L709 HydrophobicContact CG1-CD1 3.95Å; F705-L709 HydrophobicContact CE1-CD1 4.16Å; F705-L709 HydrophobicContact CE1-CD2 4.49Å; F705-L709 HydrophobicContact CZ-CD1 4.2Å; F705-L709 WeakPolarHBondContact O-CB 3.3Å; F705-L709 PolarHBondContact O-N 2.96Å; N706-L709 PolarHBondContact O-N 3.32Å; L709-L711 PolarHBondContact O-N 3.27Å; L709-K712 PolarHBondContact O-N 3Å
710	L	40.6	Very low	52.9	Low	83 Å²	83	69.7 Å²	69.7	44%	0.435	35%	0.352	S	S	.	.	H	α-helix	trans	-53.6	-28	173.9	-88.5	153.4	0	0	0	112.2	N706 Q713	N706-L710 PolarHBondContact O-N 3.35Å; L710-Q713 WeakPolarHBondContact O-CG 3.44Å; L710-Q713 PolarHBondContact O-NE2 2.92Å
711	L	42.5	Very low	54.3	Low	138 Å²	138	66.9 Å²	66.9	72%	0.723	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.2	179	-77.2	154.5	0	0	0	115.2	L709 Q713	L709-L711 PolarHBondContact O-N 3.27Å; L711-Q713 PolarHBondContact O-N 3.48Å
712	K	47.3	Very low	55.2	Low	81 Å²	81	61.4 Å²	61.4	35%	0.352	31%	0.309	S	S	.	.			trans	-90.2	41	-178.3	-76.7	-177.2	-179.9	-176.4	0	113.3	F689 L709	F689-K712 HydrophobicContact CE2-CD 4.33Å; F689-K712 HydrophobicContact CZ-CD 4.4Å; L709-K712 PolarHBondContact O-N 3Å
713	Q	56.2	Low	56.2	Low	61 Å²	61	63.6 Å²	63.6	29%	0.285	31%	0.307	S	S	.	.	S	Bend	trans	-80.4	179.3	-179	-60.9	-180	12.5	0	0	112.5	F50 L710 L711 K715	F50-Q713 HydrophobicContact CE2-CG 4.33Å; L710-Q713 WeakPolarHBondContact O-CG 3.44Å; L710-Q713 PolarHBondContact O-NE2 2.92Å; L711-Q713 PolarHBondContact O-N 3.48Å; Q713-K715 PolarHBondContact O-N 3.41Å
714	N	58	Low	57.2	Low	37 Å²	37	61 Å²	61	20%	0.198	29%	0.292	C	S	.	.			trans	-51.4	129.2	169.8	-67.9	-13.3	0	0	0	109.4	S35 G36 M687 K688	S35-N714 WeakPolarHBondContact CB-ND2 3.42Å; S35-N714 WeakPolarHBondContact CB-OD1 3.25Å; S35-N714 PolarHBondContact OG-ND2 3.49Å; G36-N714 PolarHBondContact O-ND2 3Å; M687-N714 CarbonylContact O-C 3.55Å; M687-N714 WeakPolarHBondContact O-CA 3.5Å; M687-N714 WeakPolarHBondContact O-CB 3.3Å; K688-N714 WeakPolarHBondContact CA-OD1 3.47Å
715	K	64.4	Low	58.2	Low	83 Å²	83	55.8 Å²	55.8	36%	0.361	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.7	-177.6	-73.2	-170.4	174.5	-173.2	0	109.3	Y669 M687 Q713	Y669-K715 HydrophobicContact CE1-CD 4.19Å; Y669-K715 HydrophobicContact CE1-CG 4.16Å; Y669-K715 WeakPolarHBondContact OH-CE 2.96Å; M687-K715 WeakPolarHBondContact CB-O 3.41Å; M687-K715 PolarHBondContact N-O 3.16Å; M687-K715 PolarHBondContact O-N 3.31Å; Q713-K715 PolarHBondContact O-N 3.41Å
716	M	69.9	Low	59.6	Low	39 Å²	39	54.7 Å²	54.7	19%	0.192	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.2	165	-77.5	-174.5	-111.9	0	0	110	I46 F48 N57 T684 M685	I46-M716 HydrophobicContact CD1-SD 4.47Å; I46-M716 HydrophobicContact CG2-CE 3.99Å; I46-M716 HydrophobicContact CG2-SD 3.61Å; F48-M716 HydrophobicContact CD1-CE 3.4Å; F48-M716 VanDerWaalsContact CD1-CE 3.4Å; F48-M716 HydrophobicContact CE1-CE 3.36Å; F48-M716 HydrophobicContact CG-CE 4.13Å; F48-M716 HydrophobicContact CZ-CE 4.02Å; N57-M716 HydrophobicContact CB-CE 4.16Å; N57-M716 HydrophobicContact CB-SD 4.1Å; N57-M716 WeakPolarHBondContact ND2-CE 3.33Å; N57-M716 PolarHBondContact ND2-SD 3.04Å; N57-M716 VanDerWaalsContact ND2-SD 3.35Å; T684-M716 HydrophobicContact CG2-CB 4.35Å; T684-M716 HydrophobicContact CG2-CG 4.41Å; T684-M716 HydrophobicContact CG2-SD 4.23Å; M685-M716 VanDerWaalsContact O-CA 3.29Å; M685-M716 WeakPolarHBondContact O-CA 3.36Å
717	I	69.8	Low	61.1	Low	20 Å²	20	54.9 Å²	54.9	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.2	175.1	-59	-175.4	0	0	0	107.8	I663 I664 T684 M685 M687 F719	I663-I717 HydrophobicContact CG2-CD1 4Å; I663-I717 HydrophobicContact CG2-CG2 4.4Å; I664-I717 HydrophobicContact CD1-CD1 3.32Å; I664-I717 HydrophobicContact CG1-CD1 4.4Å; T684-I717 CarbonylContact C-O 3.59Å; T684-I717 WeakPolarHBondContact CA-O 3.2Å; M685-I717 HydrophobicContact CE-CB 4.28Å; M685-I717 HydrophobicContact CE-CD1 4.16Å; M685-I717 PolarHBondContact N-O 2.85Å; M685-I717 PolarHBondContact O-N 2.94Å; M687-I717 HydrophobicContact CG-CD1 4.47Å; M687-I717 HydrophobicContact SD-CD1 3.32Å; M687-I717 WeakPolarHBondContact SD-CD1 3.45Å; M687-I717 HydrophobicContact SD-CG1 4.07Å; I717-F719 HydrophobicContact CG2-CD1 4.4Å
718	H	74.1	Confident	62.3	Low	37 Å²	37	51.1 Å²	51.1	17%	0.171	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.8	-178.7	-52.9	78.2	0	0	0	108	M682 L683 T684	M682-H718 HydrophobicContact CE-CB 3.76Å; M682-H718 HydrophobicContact SD-CB 4.15Å; L683-H718 WeakPolarHBondContact O-CA 3.49Å; T684-H718 PolarHBondContact OG1-CD2 3.48Å
719	F	72.2	Confident	63.9	Low	25 Å²	25	46 Å²	46	11%	0.11	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	151.8	176.7	62.6	-80.3	0	0	0	110.8	I612 M682 L683 I717 P721 I724	I612-F719 HydrophobicContact CD1-CE1 3.86Å; I612-F719 HydrophobicContact CD1-CE2 3.82Å; I612-F719 HydrophobicContact CD1-CZ 3.18Å; M682-F719 VanDerWaalsContact CG-O 3.31Å; M682-F719 WeakPolarHBondContact CG-O 3.3Å; L683-F719 HydrophobicContact CB-CD1 4.5Å; L683-F719 HydrophobicContact CB-CE1 3.9Å; L683-F719 HydrophobicContact CB-CE2 4Å; L683-F719 HydrophobicContact CB-CZ 3.58Å; L683-F719 HydrophobicContact CD1-CE2 3.74Å; L683-F719 HydrophobicContact CD1-CZ 3.71Å; L683-F719 HydrophobicContact CG-CE2 4.44Å; L683-F719 HydrophobicContact CG-CZ 4.3Å; L683-F719 PolarHBondContact N-O 2.88Å; L683-F719 PolarHBondContact O-N 2.96Å; I717-F719 HydrophobicContact CG2-CD1 4.4Å; F719-P721 HydrophobicContact CE2-CB 4.25Å; F719-I724 HydrophobicContact CB-CD1 3.84Å; F719-I724 HydrophobicContact CD2-CD1 3.87Å; F719-I724 HydrophobicContact CG-CD1 4.2Å
720	N	78.5	Confident	65.7	Low	51 Å²	51	46.2 Å²	46.2	27%	0.273	23%	0.228	S	C	.	.			trans	-97.2	109.6	171.8	-177.7	-39	0	0	0	107.8	S681 N722 K723 I724	S681-N720 PolarHBondContact OG-ND2 3.42Å; S681-N720 PolarHBondContact OG-OD1 2.96Å; N720-N722 PolarHBondContact O-N 3.45Å; N720-N722 WeakPolarHBondContact OD1-CB 3.48Å; N720-N722 PolarHBondContact OD1-N 3.33Å; N720-N722 VanDerWaalsContact OD1-N 3.14Å; N720-K723 HydrophobicContact CB-CB 3.84Å; N720-K723 PolarHBondContact O-N 3.49Å; N720-K723 PolarHBondContact OD1-N 2.73Å; N720-I724 WeakPolarHBondContact O-CG1 3.2Å; N720-I724 PolarHBondContact O-N 3.36Å; N720-I724 VanDerWaalsContact O-N 3.1Å
721	P	72	Confident	67	Low	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-46.9	-176.5	24.8	-32.6	0	0	0	110.9	Y604 S681 L683 F719 K723 I724 I725	Y604-P721 HydrophobicContact CE1-CB 3.98Å; Y604-P721 HydrophobicContact CE1-CG 3.96Å; S681-P721 WeakPolarHBondContact O-CD 3.41Å; L683-P721 HydrophobicContact CD1-CB 4.08Å; L683-P721 HydrophobicContact CD1-CG 3.73Å; L683-P721 HydrophobicContact CG-CG 4.1Å; F719-P721 HydrophobicContact CE2-CB 4.25Å; P721-K723 VanDerWaalsContact C-N 3.29Å; P721-K723 PolarHBondContact O-N 2.96Å; P721-I724 PolarHBondContact O-N 3.5Å; P721-I725 VanDerWaalsContact O-CG1 3.3Å; P721-I725 WeakPolarHBondContact O-CG1 3.39Å; P721-I725 PolarHBondContact O-N 2.69Å
722	N	71.1	Confident	68.2	Low	14 Å²	14	41.2 Å²	41.2	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-57.9	-44.4	-179.4	-56.8	-2.8	0	0	0	110.8	N720 I724 I725 C726 F772 H776	N720-N722 PolarHBondContact O-N 3.45Å; N720-N722 WeakPolarHBondContact OD1-CB 3.48Å; N720-N722 PolarHBondContact OD1-N 3.33Å; N720-N722 VanDerWaalsContact OD1-N 3.14Å; N722-I724 PolarHBondContact O-N 3.02Å; N722-I725 PolarHBondContact O-N 3.03Å; N722-C726 WeakPolarHBondContact O-CB 3.37Å; N722-C726 PolarHBondContact O-N 3.42Å; N722-C726 PolarHBondContact O-SG 2.89Å; N722-F772 HydrophobicContact CB-CE1 4.34Å; N722-F772 HydrophobicContact CB-CZ 4.11Å; N722-F772 WeakPolarHBondContact OD1-CZ 3.22Å; N722-H776 PolarHBondContact ND2-CD2 3.29Å; N722-H776 PolarHBondContact ND2-NE2 3.35Å
723	K	70.7	Confident	69.3	Low	105 Å²	105	40.2 Å²	40.2	46%	0.457	20%	0.197	S	C	.	.	H	α-helix	trans	-62.5	-41.5	176.7	-173.5	174.5	-178.2	171.2	0	112.3	N720 P721 T727	N720-K723 HydrophobicContact CB-CB 3.84Å; N720-K723 PolarHBondContact O-N 3.49Å; N720-K723 PolarHBondContact OD1-N 2.73Å; P721-K723 VanDerWaalsContact C-N 3.29Å; P721-K723 PolarHBondContact O-N 2.96Å; K723-T727 WeakPolarHBondContact O-CB 3.13Å; K723-T727 PolarHBondContact O-N 3.42Å; K723-T727 PolarHBondContact O-OG1 2.78Å
724	I	68	Low	70	Confident	65 Å²	65	41.3 Å²	41.3	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-65.1	-46.1	178.4	-68.3	176	0	0	0	110.2	F661 F719 N720 P721 N722 T728	F661-I724 HydrophobicContact CD1-CG2 4.1Å; F661-I724 HydrophobicContact CE1-CG2 3.78Å; F719-I724 HydrophobicContact CB-CD1 3.84Å; F719-I724 HydrophobicContact CD2-CD1 3.87Å; F719-I724 HydrophobicContact CG-CD1 4.2Å; N720-I724 WeakPolarHBondContact O-CG1 3.2Å; N720-I724 PolarHBondContact O-N 3.36Å; N720-I724 VanDerWaalsContact O-N 3.1Å; P721-I724 PolarHBondContact O-N 3.5Å; N722-I724 PolarHBondContact O-N 3.02Å; I724-T728 VanDerWaalsContact O-CB 3.28Å; I724-T728 WeakPolarHBondContact O-CB 3.38Å; I724-T728 PolarHBondContact O-N 3.43Å; I724-T728 PolarHBondContact O-OG1 3.38Å
725	I	68.1	Low	70.6	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-56.1	-55.2	176.4	-66.1	165.2	0	0	0	109.8	F661 P721 N722 T728 Y729 L769 F772	F661-I725 HydrophobicContact CE1-CG1 4.15Å; F661-I725 HydrophobicContact CE2-CD1 4.47Å; F661-I725 HydrophobicContact CE2-CG1 4.44Å; F661-I725 HydrophobicContact CZ-CD1 3.92Å; F661-I725 HydrophobicContact CZ-CG1 3.45Å; F661-I725 VanDerWaalsContact CZ-CG1 3.45Å; P721-I725 VanDerWaalsContact O-CG1 3.3Å; P721-I725 WeakPolarHBondContact O-CG1 3.39Å; P721-I725 PolarHBondContact O-N 2.69Å; N722-I725 PolarHBondContact O-N 3.03Å; I725-T728 WeakPolarHBondContact O-CB 3.22Å; I725-T728 PolarHBondContact O-N 3.27Å; I725-Y729 WeakPolarHBondContact O-CB 3.36Å; I725-Y729 PolarHBondContact O-N 2.83Å; I725-L769 HydrophobicContact CG2-CD1 3.96Å; I725-F772 HydrophobicContact CB-CE1 4.22Å; I725-F772 HydrophobicContact CD1-CE1 4.04Å; I725-F772 HydrophobicContact CD1-CZ 4.17Å; I725-F772 HydrophobicContact CG2-CD1 4.3Å; I725-F772 HydrophobicContact CG2-CE1 3.93Å
726	C	71.5	Confident	70.6	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.02	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-39.4	-173.9	-63.9	0	0	0	0	112.9	N722 T728 Y729 F730 C773	N722-C726 WeakPolarHBondContact O-CB 3.37Å; N722-C726 PolarHBondContact O-N 3.42Å; N722-C726 PolarHBondContact O-SG 2.89Å; C726-T728 VanDerWaalsContact C-N 3.28Å; C726-T728 PolarHBondContact O-N 3.34Å; C726-Y729 PolarHBondContact O-N 2.78Å; C726-F730 HydrophobicContact CB-CD2 4.39Å; C726-F730 HydrophobicContact CB-CE2 4.34Å; C726-F730 WeakPolarHBondContact O-CB 3.4Å; C726-F730 WeakPolarHBondContact O-CD2 3.46Å; C726-F730 PolarHBondContact O-N 2.66Å; C726-C773 WeakPolarHBondContact CA-SG 3.39Å; C726-C773 HydrophobicContact CB-CB 3.76Å; C726-C773 WeakPolarHBondContact CB-SG 2.95Å; C726-C773 WeakPolarHBondContact SG-CA 3.41Å; C726-C773 WeakPolarHBondContact SG-CB 3.31Å; C726-C773 CovalentContact SG-SG 2.05Å; C726-C773 PolarHBondContact SG-SG 3.47Å
727	T	71	Confident	70.5	Confident	54 Å²	54	43 Å²	43	33%	0.331	22%	0.219	S	C	.	.	H	α-helix	trans	-59.8	-43.2	172.9	-56.5	0	0	0	0	110.5	K723 L731	K723-T727 WeakPolarHBondContact O-CB 3.13Å; K723-T727 PolarHBondContact O-N 3.42Å; K723-T727 PolarHBondContact O-OG1 2.78Å; T727-L731 HydrophobicContact CG2-CD1 3.84Å; T727-L731 HydrophobicContact CG2-CG 4.3Å; T727-L731 VanDerWaalsContact O-CB 3.25Å; T727-L731 WeakPolarHBondContact O-CB 3.26Å; T727-L731 WeakPolarHBondContact O-CG 3.03Å; T727-L731 PolarHBondContact O-N 2.02Å
728	T	66.9	Low	70.4	Confident	22 Å²	22	46.5 Å²	46.5	14%	0.135	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-44.4	179.3	-58	0	0	0	0	111.6	I724 I725 C726 C732 W745 I810	I724-T728 VanDerWaalsContact O-CB 3.28Å; I724-T728 WeakPolarHBondContact O-CB 3.38Å; I724-T728 PolarHBondContact O-N 3.43Å; I724-T728 PolarHBondContact O-OG1 3.38Å; I725-T728 WeakPolarHBondContact O-CB 3.22Å; I725-T728 PolarHBondContact O-N 3.27Å; C726-T728 VanDerWaalsContact C-N 3.28Å; C726-T728 PolarHBondContact O-N 3.34Å; T728-C732 WeakPolarHBondContact O-CB 3.06Å; T728-C732 PolarHBondContact O-N 3.48Å; T728-W745 HydrophobicContact CG2-CH2 4.34Å; T728-W745 HydrophobicContact CG2-CZ3 4.06Å; T728-I810 HydrophobicContact CG2-CD1 3.42Å; T728-I810 VanDerWaalsContact CG2-CD1 3.42Å
729	Y	71	Confident	69.6	Low	10 Å²	10	49.3 Å²	49.3	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-52.8	175.4	171.8	-101	0	0	0	111.9	I725 C726 L731 C732 K733 L769 Y770	I725-Y729 WeakPolarHBondContact O-CB 3.36Å; I725-Y729 PolarHBondContact O-N 2.83Å; C726-Y729 PolarHBondContact O-N 2.78Å; Y729-L731 PolarHBondContact O-N 3.06Å; Y729-C732 WeakPolarHBondContact O-CB 3.35Å; Y729-C732 PolarHBondContact O-N 2.81Å; Y729-C732 VanDerWaalsContact O-N 3.17Å; Y729-K733 HydrophobicContact CE1-CD 4.19Å; Y729-K733 WeakPolarHBondContact O-CB 3.46Å; Y729-K733 PolarHBondContact O-N 3.07Å; Y729-L769 HydrophobicContact CD2-CD2 3.52Å; Y729-L769 HydrophobicContact CD2-CG 4.35Å; Y729-L769 HydrophobicContact CE2-CD2 4.13Å; Y729-L769 HydrophobicContact CG-CD2 4.08Å; Y729-Y770 HydrophobicContact CE1-CD2 4.09Å
730	F	75	Confident	68.8	Low	38 Å²	38	54.7 Å²	54.7	17%	0.167	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-35.4	-179	-73.3	-61.1	0	0	0	112.9	C726 C732 K733 N734 Y770 C773 D777	C726-F730 HydrophobicContact CB-CD2 4.39Å; C726-F730 HydrophobicContact CB-CE2 4.34Å; C726-F730 WeakPolarHBondContact O-CB 3.4Å; C726-F730 WeakPolarHBondContact O-CD2 3.46Å; C726-F730 PolarHBondContact O-N 2.66Å; F730-C732 VanDerWaalsContact C-N 3.31Å; F730-C732 PolarHBondContact O-N 2.72Å; F730-K733 HydrophobicContact CD1-CD 4.45Å; F730-K733 PolarHBondContact O-N 3.09Å; F730-N734 VanDerWaalsContact O-CB 3.29Å; F730-N734 WeakPolarHBondContact O-CB 3.41Å; F730-N734 VanDerWaalsContact O-CG 3.23Å; F730-N734 PolarHBondContact O-N 2.9Å; F730-N734 PolarHBondContact O-ND2 3.36Å; F730-Y770 HydrophobicContact CE1-CE2 4.28Å; F730-C773 HydrophobicContact CE2-CB 3.86Å; F730-C773 HydrophobicContact CZ-CB 4.12Å; F730-D777 VanDerWaalsContact CE2-OD2 3.23Å; F730-D777 WeakPolarHBondContact CE2-OD2 3.43Å
731	L	69.3	Low	67.8	Low	113 Å²	113	58.8 Å²	58.8	59%	0.592	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-41.1	171.4	-77.3	172.2	0	0	0	111.4	T727 Y729 C735	T727-L731 HydrophobicContact CG2-CD1 3.84Å; T727-L731 HydrophobicContact CG2-CG 4.3Å; T727-L731 VanDerWaalsContact O-CB 3.25Å; T727-L731 WeakPolarHBondContact O-CB 3.26Å; T727-L731 WeakPolarHBondContact O-CG 3.03Å; T727-L731 PolarHBondContact O-N 2.02Å; Y729-L731 PolarHBondContact O-N 3.06Å; L731-C735 WeakPolarHBondContact O-CB 3.32Å; L731-C735 PolarHBondContact O-N 2.95Å
732	C	68	Low	67.3	Low	3 Å²	3	64.6 Å²	64.6	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-67	-45.2	176.4	-159.4	0	0	0	0	111.7	T728 Y729 F730 N734 C735 Q736 W745 C752	T728-C732 WeakPolarHBondContact O-CB 3.06Å; T728-C732 PolarHBondContact O-N 3.48Å; Y729-C732 WeakPolarHBondContact O-CB 3.35Å; Y729-C732 PolarHBondContact O-N 2.81Å; Y729-C732 VanDerWaalsContact O-N 3.17Å; F730-C732 VanDerWaalsContact C-N 3.31Å; F730-C732 PolarHBondContact O-N 2.72Å; C732-N734 PolarHBondContact O-N 2.89Å; C732-C735 WeakPolarHBondContact O-CB 3.06Å; C732-C735 PolarHBondContact O-N 2.96Å; C732-C735 VanDerWaalsContact O-N 3.16Å; C732-Q736 WeakPolarHBondContact O-CG 3.4Å; C732-Q736 PolarHBondContact O-N 2.85Å; C732-W745 HydrophobicContact CB-CE3 3.7Å; C732-W745 HydrophobicContact CB-CZ3 4.11Å; C732-C752 VanDerWaalsContact CA-SG 3.51Å; C732-C752 HydrophobicContact CB-CB 3.61Å; C732-C752 WeakPolarHBondContact CB-SG 3.44Å; C732-C752 WeakPolarHBondContact SG-CB 3.42Å; C732-C752 CovalentContact SG-SG 2.04Å; C732-C752 PolarHBondContact SG-SG 2.79Å
733	K	69.8	Low	66.9	Low	59 Å²	59	64.8 Å²	64.8	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-43.7	176	-170.8	175.9	-177	174.1	0	111.8	Y729 F730 Q736 L737	Y729-K733 HydrophobicContact CE1-CD 4.19Å; Y729-K733 WeakPolarHBondContact O-CB 3.46Å; Y729-K733 PolarHBondContact O-N 3.07Å; F730-K733 HydrophobicContact CD1-CD 4.45Å; F730-K733 PolarHBondContact O-N 3.09Å; K733-Q736 WeakPolarHBondContact O-CB 3.22Å; K733-Q736 PolarHBondContact O-N 3.1Å; K733-L737 HydrophobicContact CG-CD1 4.43Å; K733-L737 WeakPolarHBondContact O-CG 3.43Å; K733-L737 PolarHBondContact O-N 3.28Å
734	N	71	Confident	66.6	Low	84 Å²	84	63.4 Å²	63.4	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-66.8	-37.5	175.2	-73.7	-16.4	0	0	0	112.1	F730 C732 Q736 L737 T738	F730-N734 VanDerWaalsContact O-CB 3.29Å; F730-N734 WeakPolarHBondContact O-CB 3.41Å; F730-N734 VanDerWaalsContact O-CG 3.23Å; F730-N734 PolarHBondContact O-N 2.9Å; F730-N734 PolarHBondContact O-ND2 3.36Å; C732-N734 PolarHBondContact O-N 2.89Å; N734-Q736 VanDerWaalsContact C-N 3.28Å; N734-Q736 PolarHBondContact O-N 2.97Å; N734-L737 PolarHBondContact O-N 2.94Å; N734-T738 WeakPolarHBondContact O-CB 3.4Å; N734-T738 WeakPolarHBondContact O-CG2 3.39Å; N734-T738 PolarHBondContact O-N 2.81Å; N734-T738 PolarHBondContact O-OG1 2.88Å
735	C	69.8	Low	66.4	Low	23 Å²	23	60.6 Å²	60.6	16%	0.155	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-38.9	173.3	-170.1	0	0	0	0	111.8	L731 C732 T738 C743	L731-C735 WeakPolarHBondContact O-CB 3.32Å; L731-C735 PolarHBondContact O-N 2.95Å; C732-C735 WeakPolarHBondContact O-CB 3.06Å; C732-C735 PolarHBondContact O-N 2.96Å; C732-C735 VanDerWaalsContact O-N 3.16Å; C735-T738 PolarHBondContact O-OG1 3.39Å; C735-C743 HydrophobicContact CB-CB 3.57Å; C735-C743 WeakPolarHBondContact CB-SG 3.49Å; C735-C743 WeakPolarHBondContact SG-CB 3.15Å; C735-C743 CovalentContact SG-SG 2.02Å; C735-C743 PolarHBondContact SG-SG 2.85Å
736	Q	64.2	Low	66	Low	44 Å²	44	61.9 Å²	61.9	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-46.2	173.4	-73.9	-177.5	-30.8	0	0	112.3	C732 K733 N734 T738 N739 C743 M765	C732-Q736 WeakPolarHBondContact O-CG 3.4Å; C732-Q736 PolarHBondContact O-N 2.85Å; K733-Q736 WeakPolarHBondContact O-CB 3.22Å; K733-Q736 PolarHBondContact O-N 3.1Å; N734-Q736 VanDerWaalsContact C-N 3.28Å; N734-Q736 PolarHBondContact O-N 2.97Å; Q736-T738 VanDerWaalsContact C-N 3.35Å; Q736-T738 PolarHBondContact O-N 2.86Å; Q736-N739 PolarHBondContact O-N 3.48Å; Q736-C743 HydrophobicContact CG-CB 4.3Å; Q736-C743 VanDerWaalsContact CG-O 3.29Å; Q736-C743 WeakPolarHBondContact CG-O 3.21Å; Q736-M765 VanDerWaalsContact OE1-CE 3.32Å
737	L	68	Low	65.4	Low	128 Å²	128	65.9 Å²	65.9	67%	0.67	33%	0.327	S	S	*	.	H	α-helix	trans	-67	-32.6	-179.7	-70.9	171.5	0	0	0	113.3	K733 N734 N739	K733-L737 HydrophobicContact CG-CD1 4.43Å; K733-L737 WeakPolarHBondContact O-CG 3.43Å; K733-L737 PolarHBondContact O-N 3.28Å; N734-L737 PolarHBondContact O-N 2.94Å; L737-N739 PolarHBondContact O-N 2.92Å
738	T	67.8	Low	64.5	Low	94 Å²	94	69.2 Å²	69.2	58%	0.577	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	10.7	178.1	51.7	0	0	0	0	113.6	N734 C735 Q736 K740	N734-T738 WeakPolarHBondContact O-CB 3.4Å; N734-T738 WeakPolarHBondContact O-CG2 3.39Å; N734-T738 PolarHBondContact O-N 2.81Å; N734-T738 PolarHBondContact O-OG1 2.88Å; C735-T738 PolarHBondContact O-OG1 3.39Å; Q736-T738 VanDerWaalsContact C-N 3.35Å; Q736-T738 PolarHBondContact O-N 2.86Å; T738-K740 PolarHBondContact O-N 3.35Å; T738-K740 VanDerWaalsContact O-N 3.09Å
739	N	56.6	Low	63.7	Low	95 Å²	95	72.1 Å²	72.1	51%	0.508	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	26.8	176.6	-106.4	-4.7	0	0	0	114.3	Q736 L737 H741	Q736-N739 PolarHBondContact O-N 3.48Å; L737-N739 PolarHBondContact O-N 2.92Å; N739-H741 VanDerWaalsContact C-N 3.31Å; N739-H741 PolarHBondContact O-CD2 2.87Å; N739-H741 PolarHBondContact O-N 2.89Å
740	K	55.6	Low	63	Low	139 Å²	139	73 Å²	73	60%	0.604	36%	0.361	S	S	*	.			trans	-71.8	96.2	162.3	-68.5	-173.4	-179.1	-177.9	0	106.2	T738 F742 C743	T738-K740 PolarHBondContact O-N 3.35Å; T738-K740 VanDerWaalsContact O-N 3.09Å; K740-F742 PolarHBondContact O-N 3.43Å; K740-C743 PolarHBondContact O-N 3.38Å
741	H	57.7	Low	62.2	Low	136 Å²	136	73 Å²	73	63%	0.63	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	3.8	-178.1	-77.4	-80.8	0	0	0	116.7	N739	N739-H741 VanDerWaalsContact C-N 3.31Å; N739-H741 PolarHBondContact O-CD2 2.87Å; N739-H741 PolarHBondContact O-N 2.89Å
742	F	61.8	Low	61.7	Low	124 Å²	124	69.2 Å²	69.2	54%	0.544	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-12.3	-174.6	-52.3	-74.2	0	0	0	113.8	K740 L753 L754 N755	K740-F742 PolarHBondContact O-N 3.43Å; F742-L753 VanDerWaalsContact O-O 3.08Å; F742-L754 HydrophobicContact CB-CD2 4.45Å; F742-L754 CarbonylContact O-C 3.48Å; F742-L754 VanDerWaalsContact O-C 3.25Å; F742-L754 WeakPolarHBondContact O-CA 3.5Å; F742-N755 PolarHBondContact O-N 3.18Å
743	C	63.7	Low	61.3	Low	17 Å²	17	72.9 Å²	72.9	12%	0.115	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121	-173.8	-78.7	0	0	0	0	113.6	C735 Q736 K740 L753 L754	C735-C743 HydrophobicContact CB-CB 3.57Å; C735-C743 WeakPolarHBondContact CB-SG 3.49Å; C735-C743 WeakPolarHBondContact SG-CB 3.15Å; C735-C743 CovalentContact SG-SG 2.02Å; C735-C743 PolarHBondContact SG-SG 2.85Å; Q736-C743 HydrophobicContact CG-CB 4.3Å; Q736-C743 VanDerWaalsContact CG-O 3.29Å; Q736-C743 WeakPolarHBondContact CG-O 3.21Å; K740-C743 PolarHBondContact O-N 3.38Å; C743-L753 WeakPolarHBondContact CA-O 3.4Å; C743-L754 WeakPolarHBondContact SG-CD2 3.31Å
744	K	64.7	Low	60.3	Low	77 Å²	77	73.9 Å²	73.9	34%	0.335	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.2	171.2	-174.7	174.9	179.9	-180	0	110.6	N746 L753 S758	K744-N746 PolarHBondContact O-N 3.46Å; K744-L753 PolarHBondContact N-O 2.93Å; K744-L753 PolarHBondContact O-N 3.22Å; K744-S758 PolarHBondContact NZ-OG 3.18Å
745	W	62.8	Low	58.9	Low	6 Å²	6	74.1 Å²	74.1	2%	0.023	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.4	168.6	-171.8	-99.1	0	0	0	110	T728 C732 Y747 H750 C752 M765 L769	T728-W745 HydrophobicContact CG2-CH2 4.34Å; T728-W745 HydrophobicContact CG2-CZ3 4.06Å; C732-W745 HydrophobicContact CB-CE3 3.7Å; C732-W745 HydrophobicContact CB-CZ3 4.11Å; W745-Y747 AromaticContact CD1-CD1 3.65Å; W745-Y747 AromaticContact CD1-CE1 3.69Å; W745-H750 WeakPolarHBondContact CH2-O 3.1Å; W745-H750 HydrophobicContact CZ2-CB 3.84Å; W745-H750 VanDerWaalsContact CZ2-O 3.24Å; W745-H750 WeakPolarHBondContact CZ2-O 3.1Å; W745-C752 HydrophobicContact CE3-CB 4.32Å; W745-M765 HydrophobicContact CB-CE 4.04Å; W745-L769 HydrophobicContact CH2-CD2 4.41Å; W745-L769 HydrophobicContact CZ2-CD2 3.66Å
746	N	60.1	Low	57.5	Low	31 Å²	31	78.5 Å²	78.5	17%	0.166	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.1	168.7	-176.6	-1.1	0	0	0	108.7	K744 D748 N749 H750 S751 L753	K744-N746 PolarHBondContact O-N 3.46Å; N746-D748 WeakPolarHBondContact OD1-CB 3.28Å; N746-D748 PolarHBondContact OD1-N 3.38Å; N746-N749 VanDerWaalsContact ND2-CG 3.27Å; N746-N749 PolarHBondContact ND2-OD1 3.11Å; N746-N749 VanDerWaalsContact ND2-OD1 3.14Å; N746-H750 VanDerWaalsContact O-CA 3.22Å; N746-H750 WeakPolarHBondContact O-CA 3.13Å; N746-H750 PolarHBondContact O-N 3.41Å; N746-S751 WeakPolarHBondContact CB-O 3.2Å; N746-S751 PolarHBondContact N-O 2.56Å; N746-S751 PolarHBondContact O-N 2.82Å; N746-S751 VanDerWaalsContact O-N 3.14Å; N746-L753 HydrophobicContact CB-CD1 3.69Å; N746-L753 HydrophobicContact CB-CG 3.95Å
747	Y	59.2	Low	56.3	Low	86 Å²	86	82.2 Å²	82.2	34%	0.337	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-33.8	178	-62.8	-80.4	0	0	0	112.5	W745 N749 H750 M765 D766	W745-Y747 AromaticContact CD1-CD1 3.65Å; W745-Y747 AromaticContact CD1-CE1 3.69Å; Y747-N749 PolarHBondContact O-N 3.13Å; Y747-H750 PolarHBondContact O-NE2 2.89Å; Y747-M765 VanDerWaalsContact OH-CA 3.25Å; Y747-M765 WeakPolarHBondContact OH-CA 3.23Å; Y747-M765 WeakPolarHBondContact OH-CG 3.28Å; Y747-D766 HydrophobicContact CD1-CB 4.43Å; Y747-D766 HydrophobicContact CE1-CB 4.29Å
748	D	52.2	Low	55	Low	125 Å²	125	78.9 Å²	78.9	67%	0.668	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-30	-176.5	-61.4	-30.8	0	0	0	112.1	N746	N746-D748 WeakPolarHBondContact OD1-CB 3.28Å; N746-D748 PolarHBondContact OD1-N 3.38Å
749	N	50.3	Low	53.5	Low	83 Å²	83	82.5 Å²	82.5	44%	0.444	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	6.6	-174.9	-54.2	34.2	0	0	0	112.1	N746 Y747 S751	N746-N749 VanDerWaalsContact ND2-CG 3.27Å; N746-N749 PolarHBondContact ND2-OD1 3.11Å; N746-N749 VanDerWaalsContact ND2-OD1 3.14Å; Y747-N749 PolarHBondContact O-N 3.13Å; N749-S751 WeakPolarHBondContact O-CB 3.44Å; N749-S751 PolarHBondContact O-N 2.88Å
750	H	55.1	Low	52.3	Low	27 Å²	27	83.5 Å²	83.5	13%	0.125	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	40.9	43.5	-172.4	-65	-79.1	0	0	0	114.1	M658 W745 N746 Y747	M658-H750 PolarHBondContact O-CD2 3.31Å; M658-H750 VanDerWaalsContact O-CG 3.29Å; W745-H750 WeakPolarHBondContact CH2-O 3.1Å; W745-H750 HydrophobicContact CZ2-CB 3.84Å; W745-H750 VanDerWaalsContact CZ2-O 3.24Å; W745-H750 WeakPolarHBondContact CZ2-O 3.1Å; N746-H750 VanDerWaalsContact O-CA 3.22Å; N746-H750 WeakPolarHBondContact O-CA 3.13Å; N746-H750 PolarHBondContact O-N 3.41Å; Y747-H750 PolarHBondContact O-NE2 2.89Å
751	S	57.9	Low	51.3	Low	38 Å²	38	85.1 Å²	85.1	27%	0.266	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.2	-171.4	65.8	0	0	0	0	112	N746 N749 L753	N746-S751 WeakPolarHBondContact CB-O 3.2Å; N746-S751 PolarHBondContact N-O 2.56Å; N746-S751 PolarHBondContact O-N 2.82Å; N746-S751 VanDerWaalsContact O-N 3.14Å; N749-S751 WeakPolarHBondContact O-CB 3.44Å; N749-S751 PolarHBondContact O-N 2.88Å; S751-L753 PolarHBondContact O-N 3.46Å
752	C	59.6	Low	50.1	Low	34 Å²	34	82.6 Å²	82.6	23%	0.23	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.9	175.2	-161.3	0	0	0	0	110.3	C732 W745	C732-C752 VanDerWaalsContact CA-SG 3.51Å; C732-C752 HydrophobicContact CB-CB 3.61Å; C732-C752 WeakPolarHBondContact CB-SG 3.44Å; C732-C752 WeakPolarHBondContact SG-CB 3.42Å; C732-C752 CovalentContact SG-SG 2.04Å; C732-C752 PolarHBondContact SG-SG 2.79Å; W745-C752 HydrophobicContact CE3-CB 4.32Å
753	L	59	Low	48.8	Very low	81 Å²	81	86.6 Å²	86.6	42%	0.424	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.4	174.9	-67.2	174.9	0	0	0	110.6	F742 C743 K744 N746 S751	F742-L753 VanDerWaalsContact O-O 3.08Å; C743-L753 WeakPolarHBondContact CA-O 3.4Å; K744-L753 PolarHBondContact N-O 2.93Å; K744-L753 PolarHBondContact O-N 3.22Å; N746-L753 HydrophobicContact CB-CD1 3.69Å; N746-L753 HydrophobicContact CB-CG 3.95Å; S751-L753 PolarHBondContact O-N 3.46Å
754	L	49.5	Very low	47.4	Very low	79 Å²	79	93.2 Å²	93.2	41%	0.414	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	67.7	171.3	-74.4	166.6	0	0	0	109.8	F742 C743 K808	F742-L754 HydrophobicContact CB-CD2 4.45Å; F742-L754 CarbonylContact O-C 3.48Å; F742-L754 VanDerWaalsContact O-C 3.25Å; F742-L754 WeakPolarHBondContact O-CA 3.5Å; C743-L754 WeakPolarHBondContact SG-CD2 3.31Å; L754-K808 HydrophobicContact CD1-CB 4.24Å; L754-K808 HydrophobicContact CD1-CD 4.11Å; L754-K808 HydrophobicContact CD1-CG 4.45Å
755	N	42	Very low	46.1	Very low	89 Å²	89	92 Å²	92	48%	0.476	48%	0.483	S	S	.	.			trans	169.8	110.3	166.3	-106.5	-6.4	0	0	0	108.3	F742	F742-N755 PolarHBondContact O-N 3.18Å
756	D	40.5	Very low	45.6	Very low	116 Å²	116	94.4 Å²	94.4	62%	0.62	50%	0.496	S	S	*	.				156.8	143.4	126.9	-86.7	-27	0	0	0	112.4	S758	D756-S758 PolarHBondContact O-N 2.71Å; D756-S758 VanDerWaalsContact O-N 3.08Å
757	S	38.1	Very low	45.1	Very low	121 Å²	121	96.3 Å²	96.3	85%	0.846	51%	0.512	S	S	*	.			trans	-71	91.3	176.1	43.1	0	0	0	0	111.5
758	S	41.6	Very low	44.8	Very low	58 Å²	58	97 Å²	97	41%	0.406	52%	0.521	S	S	.	.			trans	-146.1	92.3	162.7	45.9	0	0	0	0	111	K744 D756	K744-S758 PolarHBondContact NZ-OG 3.18Å; D756-S758 PolarHBondContact O-N 2.71Å; D756-S758 VanDerWaalsContact O-N 3.08Å
759	Y	35.6	Very low	45.1	Very low	171 Å²	171	91.6 Å²	91.6	67%	0.671	49%	0.492	S	S	*	.			trans	-90.3	3.9	-171	-145.9	-94.5	0	0	0	114.3	L762	Y759-L762 HydrophobicContact CD1-CD1 4.08Å; Y759-L762 HydrophobicContact CD2-CD1 4.22Å; Y759-L762 HydrophobicContact CE1-CD1 4.32Å; Y759-L762 HydrophobicContact CE2-CD1 4.46Å; Y759-L762 HydrophobicContact CG-CD1 4.03Å; Y759-L762 WeakPolarHBondContact O-CD1 3.42Å
760	S	32.2	Very low	45.6	Very low	116 Å²	116	92 Å²	92	81%	0.811	49%	0.488	S	S	*	.	S	Bend	trans	-109.6	4.7	-164.9	52.2	0	0	0	0	117.2
761	Q	33.2	Very low	45.9	Very low	172 Å²	172	95.6 Å²	95.6	80%	0.804	51%	0.505	S	S	*	.	S	Bend	trans	-110.9	21.1	175.4	-72.7	-176.6	-26.7	0	0	113.8	K763	Q761-K763 PolarHBondContact O-N 2.87Å
762	L	34.2	Very low	46.1	Very low	83 Å²	83	95.5 Å²	95.5	44%	0.435	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	3	-159	-101.1	154.9	0	0	0	117.8	Y759	Y759-L762 HydrophobicContact CD1-CD1 4.08Å; Y759-L762 HydrophobicContact CD2-CD1 4.22Å; Y759-L762 HydrophobicContact CE1-CD1 4.32Å; Y759-L762 HydrophobicContact CE2-CD1 4.46Å; Y759-L762 HydrophobicContact CG-CD1 4.03Å; Y759-L762 WeakPolarHBondContact O-CD1 3.42Å
763	K	33.2	Very low	46.5	Very low	208 Å²	208	93.9 Å²	93.9	90%	0.904	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	0.8	-174.6	-109.7	-175.6	-179.2	-176.9	0	116.8	Q761	Q761-K763 PolarHBondContact O-N 2.87Å
764	L	34.2	Very low	46.6	Very low	156 Å²	156	92.8 Å²	92.8	82%	0.817	48%	0.483	S	S	*	.			trans	-125	49.8	-178.3	-72.3	162.8	0	0	0	111.2	D766	L764-D766 PolarHBondContact O-N 3.02Å
765	M	38.2	Very low	47	Very low	52 Å²	52	94.5 Å²	94.5	26%	0.256	49%	0.493	S	S	.	.			trans	-60.9	122.7	165.3	-60.5	-156.9	102.8	0	0	108.4	Q736 W745 Y747 S767	Q736-M765 VanDerWaalsContact OE1-CE 3.32Å; W745-M765 HydrophobicContact CB-CE 4.04Å; Y747-M765 VanDerWaalsContact OH-CA 3.25Å; Y747-M765 WeakPolarHBondContact OH-CA 3.23Å; Y747-M765 WeakPolarHBondContact OH-CG 3.28Å; M765-S767 PolarHBondContact O-N 3.12Å; M765-S767 VanDerWaalsContact O-N 3.09Å
766	D	51.1	Low	47.6	Very low	57 Å²	57	94.6 Å²	94.6	31%	0.305	49%	0.491	S	S	.	.			trans	-49.8	115.4	-170.9	-162	-9.6	0	0	0	110.9	Y747 L764 N768 L769	Y747-D766 HydrophobicContact CD1-CB 4.43Å; Y747-D766 HydrophobicContact CE1-CB 4.29Å; L764-D766 PolarHBondContact O-N 3.02Å; D766-N768 PolarHBondContact O-N 3.42Å; D766-N768 VanDerWaalsContact O-N 3.08Å; D766-N768 PolarHBondContact OD1-N 3.26Å; D766-N768 PolarHBondContact OD1-ND2 2.97Å; D766-L769 PolarHBondContact O-N 3.18Å
767	S	50.4	Low	47.9	Very low	70 Å²	70	91 Å²	91	49%	0.49	47%	0.471	S	S	.	.	H	α-helix	trans	-55.9	-26.9	179.4	48.6	0	0	0	0	111.2	M765 H771	M765-S767 PolarHBondContact O-N 3.12Å; M765-S767 VanDerWaalsContact O-N 3.09Å; S767-H771 WeakPolarHBondContact O-CB 3.49Å; S767-H771 PolarHBondContact O-CD2 3.13Å; S767-H771 PolarHBondContact O-N 3.22Å
768	N	53	Low	48.2	Very low	101 Å²	101	93.6 Å²	93.6	54%	0.54	47%	0.47	S	S	.	.	H	α-helix	trans	-69.9	-43.8	-173.7	-62	-15.2	0	0	0	112.5	D766 Y770 H771 F772	D766-N768 PolarHBondContact O-N 3.42Å; D766-N768 VanDerWaalsContact O-N 3.08Å; D766-N768 PolarHBondContact OD1-N 3.26Å; D766-N768 PolarHBondContact OD1-ND2 2.97Å; N768-Y770 VanDerWaalsContact C-N 3.35Å; N768-H771 PolarHBondContact O-N 3.47Å; N768-F772 VanDerWaalsContact O-CB 3.32Å; N768-F772 WeakPolarHBondContact O-CB 3.21Å; N768-F772 PolarHBondContact O-N 3.04Å
769	L	57.4	Low	48.1	Very low	11 Å²	11	99.6 Å²	99.6	6%	0.058	49%	0.491	C	S	.	.	H	α-helix	trans	-72.1	-33.2	179.5	-161.8	74	0	0	0	111.6	M658 I725 Y729 W745 D766 F772 C773	M658-L769 HydrophobicContact CE-CD1 4.34Å; I725-L769 HydrophobicContact CG2-CD1 3.96Å; Y729-L769 HydrophobicContact CD2-CD2 3.52Å; Y729-L769 HydrophobicContact CD2-CG 4.35Å; Y729-L769 HydrophobicContact CE2-CD2 4.13Å; Y729-L769 HydrophobicContact CG-CD2 4.08Å; W745-L769 HydrophobicContact CH2-CD2 4.41Å; W745-L769 HydrophobicContact CZ2-CD2 3.66Å; D766-L769 PolarHBondContact O-N 3.18Å; L769-F772 HydrophobicContact CD1-CD1 4.41Å; L769-C773 PolarHBondContact O-N 3.06Å; L769-C773 PolarHBondContact O-SG 3.01Å
770	Y	61.9	Low	48.3	Very low	92 Å²	92	94 Å²	94	36%	0.361	48%	0.475	S	S	.	.	H	α-helix	trans	-66.6	-42.7	172.4	-176.4	-111.1	0	0	0	111.5	Y729 F730 N768 C773 N774	Y729-Y770 HydrophobicContact CE1-CD2 4.09Å; F730-Y770 HydrophobicContact CE1-CE2 4.28Å; N768-Y770 VanDerWaalsContact C-N 3.35Å; Y770-C773 PolarHBondContact O-N 3.24Å; Y770-N774 WeakPolarHBondContact CE1-ND2 3.03Å; Y770-N774 WeakPolarHBondContact CE2-OD1 3.02Å; Y770-N774 WeakPolarHBondContact O-CB 3.34Å; Y770-N774 PolarHBondContact O-N 2.85Å; Y770-N774 PolarHBondContact OH-ND2 3.04Å; Y770-N774 VanDerWaalsContact OH-ND2 3.16Å; Y770-N774 PolarHBondContact OH-OD1 3.27Å
771	H	60.1	Low	48.6	Very low	102 Å²	102	94.3 Å²	94.3	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-61.5	-48	172.3	-87.8	-64.3	0	0	0	111.9	S767 N768 C773 N774 D775	S767-H771 WeakPolarHBondContact O-CB 3.49Å; S767-H771 PolarHBondContact O-CD2 3.13Å; S767-H771 PolarHBondContact O-N 3.22Å; N768-H771 PolarHBondContact O-N 3.47Å; H771-C773 PolarHBondContact O-N 3.45Å; H771-N774 PolarHBondContact O-N 3.48Å; H771-N774 VanDerWaalsContact O-N 3.16Å; H771-D775 WeakPolarHBondContact O-CB 3.37Å; H771-D775 PolarHBondContact O-N 2.93Å
772	F	63.3	Low	48.6	Very low	36 Å²	36	92.4 Å²	92.4	16%	0.158	46%	0.459	C	S	.	.	H	α-helix	trans	-52.4	-43.1	175.3	175.3	-96.7	0	0	0	112.2	N722 I725 N768 L769 H776	N722-F772 HydrophobicContact CB-CE1 4.34Å; N722-F772 HydrophobicContact CB-CZ 4.11Å; N722-F772 WeakPolarHBondContact OD1-CZ 3.22Å; I725-F772 HydrophobicContact CB-CE1 4.22Å; I725-F772 HydrophobicContact CD1-CE1 4.04Å; I725-F772 HydrophobicContact CD1-CZ 4.17Å; I725-F772 HydrophobicContact CG2-CD1 4.3Å; I725-F772 HydrophobicContact CG2-CE1 3.93Å; N768-F772 VanDerWaalsContact O-CB 3.32Å; N768-F772 WeakPolarHBondContact O-CB 3.21Å; N768-F772 PolarHBondContact O-N 3.04Å; L769-F772 HydrophobicContact CD1-CD1 4.41Å; F772-H776 AromaticContact CE2-CD2 3.89Å; F772-H776 AromaticContact CE2-NE2 3.86Å
773	C	66.8	Low	48.6	Very low	0 Å²	0	95.9 Å²	95.9	0%	0	48%	0.478	C	S	.	.	H	α-helix	trans	-78	-36.3	178.6	-70	0	0	0	0	114	C726 F730 L769 Y770 H771 H776 D777	C726-C773 WeakPolarHBondContact CA-SG 3.39Å; C726-C773 HydrophobicContact CB-CB 3.76Å; C726-C773 WeakPolarHBondContact CB-SG 2.95Å; C726-C773 WeakPolarHBondContact SG-CA 3.41Å; C726-C773 WeakPolarHBondContact SG-CB 3.31Å; C726-C773 CovalentContact SG-SG 2.05Å; C726-C773 PolarHBondContact SG-SG 3.47Å; F730-C773 HydrophobicContact CE2-CB 3.86Å; F730-C773 HydrophobicContact CZ-CB 4.12Å; L769-C773 PolarHBondContact O-N 3.06Å; L769-C773 PolarHBondContact O-SG 3.01Å; Y770-C773 PolarHBondContact O-N 3.24Å; H771-C773 PolarHBondContact O-N 3.45Å; C773-H776 PolarHBondContact O-N 3.09Å; C773-D777 VanDerWaalsContact O-CB 3.29Å; C773-D777 WeakPolarHBondContact O-CB 3.27Å; C773-D777 PolarHBondContact O-N 3.38Å
774	N	62.3	Low	48.6	Very low	58 Å²	58	90.1 Å²	90.1	31%	0.31	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-41.3	176	-85.7	2.1	0	0	0	112.2	Y770 H771 H776	Y770-N774 WeakPolarHBondContact CE1-ND2 3.03Å; Y770-N774 WeakPolarHBondContact CE2-OD1 3.02Å; Y770-N774 WeakPolarHBondContact O-CB 3.34Å; Y770-N774 PolarHBondContact O-N 2.85Å; Y770-N774 PolarHBondContact OH-ND2 3.04Å; Y770-N774 VanDerWaalsContact OH-ND2 3.16Å; Y770-N774 PolarHBondContact OH-OD1 3.27Å; H771-N774 PolarHBondContact O-N 3.48Å; H771-N774 VanDerWaalsContact O-N 3.16Å; N774-H776 PolarHBondContact O-N 3.44Å
775	D	58.2	Low	48.5	Very low	115 Å²	115	90.1 Å²	90.1	62%	0.615	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.3	-178.6	-69.6	-14.6	0	0	0	112.2	H771	H771-D775 WeakPolarHBondContact O-CB 3.37Å; H771-D775 PolarHBondContact O-N 2.93Å
776	H	53.2	Low	48.2	Very low	92 Å²	92	96.8 Å²	96.8	43%	0.426	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-8.9	-176.2	-70.3	-0.1	0	0	0	114.6	N722 F772 C773 N774 H778	N722-H776 PolarHBondContact ND2-CD2 3.29Å; N722-H776 PolarHBondContact ND2-NE2 3.35Å; F772-H776 AromaticContact CE2-CD2 3.89Å; F772-H776 AromaticContact CE2-NE2 3.86Å; C773-H776 PolarHBondContact O-N 3.09Å; N774-H776 PolarHBondContact O-N 3.44Å; H776-H778 PolarHBondContact O-N 2.95Å
777	D	48.3	Very low	47.3	Very low	39 Å²	39	102.2 Å²	102.2	21%	0.209	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-87.2	3.4	-171.2	-102.9	-19.2	0	0	0	115.9	F730 C773 E779 V780	F730-D777 VanDerWaalsContact CE2-OD2 3.23Å; F730-D777 WeakPolarHBondContact CE2-OD2 3.43Å; C773-D777 VanDerWaalsContact O-CB 3.29Å; C773-D777 WeakPolarHBondContact O-CB 3.27Å; C773-D777 PolarHBondContact O-N 3.38Å; D777-E779 PolarHBondContact O-N 2.92Å; D777-E779 VanDerWaalsContact O-N 3.07Å; D777-V780 PolarHBondContact O-N 2.79Å
778	H	43.2	Very low	46.4	Very low	176 Å²	176	107.5 Å²	107.5	82%	0.815	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-62	-18.8	-178.6	-91.9	-60.7	0	0	0	114.5	H776	H776-H778 PolarHBondContact O-N 2.95Å
779	E	40.5	Very low	45.4	Very low	185 Å²	185	109.1 Å²	109.1	86%	0.864	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-91.7	-16.8	-176.4	-74.1	-167.7	153.8	0	0	116.1	D777	D777-E779 PolarHBondContact O-N 2.92Å; D777-E779 VanDerWaalsContact O-N 3.07Å
780	V	40.3	Very low	44.3	Very low	54 Å²	54	114 Å²	114	33%	0.327	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-26.6	-161.2	-177.3	0	0	0	0	115.6	D777	D777-V780 PolarHBondContact O-N 2.79Å
781	Y	36.9	Very low	42.7	Very low	121 Å²	121	115.8 Å²	115.8	48%	0.475	56%	0.558	S	S	.	*	S	Bend	trans	-100.4	-1.6	-164	-89.9	-77.2	0	0	0	118.3	N783	Y781-N783 PolarHBondContact O-N 3.47Å
782	V	34.6	Very low	41.3	Very low	133 Å²	133	121 Å²	121	81%	0.806	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-19.9	-179.3	179	0	0	0	0	113.5
783	N	32.8	Very low	39.8	Very low	156 Å²	156	123.3 Å²	123.3	83%	0.834	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	17	-170.4	-83.8	-22.5	0	0	0	117.7	Y781	Y781-N783 PolarHBondContact O-N 3.47Å
784	Q	33.6	Very low	38	Very low	86 Å²	86	131.2 Å²	131.2	40%	0.402	63%	0.629	S	S	.	*			trans	-105.7	8.2	-175.1	-70.9	-158.4	-0.9	0	0	117.8	K786 R787	Q784-K786 PolarHBondContact O-N 3.48Å; Q784-R787 PolarHBondContact O-N 3.19Å; Q784-R787 VanDerWaalsContact O-N 3.1Å
785	L	33.5	Very low	36.5	Very low	157 Å²	157	132.6 Å²	132.6	82%	0.822	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-55.4	-24.8	178.3	-142.1	86.7	0	0	0	113.3	R787	L785-R787 PolarHBondContact O-N 2.85Å
786	K	31.6	Very low	35	Very low	191 Å²	191	134 Å²	134	83%	0.83	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-78.1	-6.4	-179.6	-75.1	-174.5	176.2	-179.9	0	116.4	Q784	Q784-K786 PolarHBondContact O-N 3.48Å
787	R	31	Very low	33.8	Very low	172 Å²	172	138.2 Å²	138.2	65%	0.649	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-95.3	-13.1	179.8	-138.5	177.1	-166.7	169.4	3.6	114.2	Q784 L785 D789 L790	Q784-R787 PolarHBondContact O-N 3.19Å; Q784-R787 VanDerWaalsContact O-N 3.1Å; L785-R787 PolarHBondContact O-N 2.85Å; R787-D789 VanDerWaalsContact C-N 3.28Å; R787-D789 PolarHBondContact O-N 3.48Å; R787-L790 PolarHBondContact O-N 3.37Å
788	Y	32.1	Very low	32.9	Very low	180 Å²	180	142 Å²	142	71%	0.706	70%	0.7	S	S	*	*	H	α-helix	trans	-64.8	-31.2	178	-87	-82.6	0	0	0	112.8
789	D	32.5	Very low	32.1	Very low	135 Å²	135	141.4 Å²	141.4	72%	0.722	70%	0.703	S	S	*	*	H	α-helix	trans	-74.7	-28.4	-178.3	-68.4	-32.1	0	0	0	113.7	R787 L791	R787-D789 VanDerWaalsContact C-N 3.28Å; R787-D789 PolarHBondContact O-N 3.48Å; D789-L791 PolarHBondContact O-N 2.8Å
790	L	33.3	Very low	31.5	Very low	115 Å²	115	137.5 Å²	137.5	60%	0.602	70%	0.696	S	S	*	*	H	α-helix	trans	-77.1	-19.6	-178.6	-100	153.7	0	0	0	113.8	R787 S793	R787-L790 PolarHBondContact O-N 3.37Å; L790-S793 PolarHBondContact O-OG 3.31Å
791	L	29.3	Very low	30.8	Very low	128 Å²	128	142.5 Å²	142.5	67%	0.67	72%	0.72	S	S	*	*	H	α-helix	trans	-85.7	-18.3	178.7	-90.2	150.3	0	0	0	113	D789 S793 F794	D789-L791 PolarHBondContact O-N 2.8Å; L791-S793 VanDerWaalsContact C-N 3.29Å; L791-S793 PolarHBondContact O-N 2.65Å; L791-F794 PolarHBondContact O-N 3.44Å
792	R	30.2	Very low	30.4	Very low	213 Å²	213	144.2 Å²	144.2	80%	0.804	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-73.4	-20.6	177.3	-153.1	174.6	-162	170.7	4.5	113	F794 S795	R792-F794 VanDerWaalsContact C-N 3.35Å; R792-S795 PolarHBondContact O-OG 3.44Å
793	S	32	Very low	30	Very low	83 Å²	83	145.3 Å²	145.3	58%	0.58	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-79.5	-14.9	176.4	64.5	0	0	0	0	113.9	L790 L791	L790-S793 PolarHBondContact O-OG 3.31Å; L791-S793 VanDerWaalsContact C-N 3.29Å; L791-S793 PolarHBondContact O-N 2.65Å
794	F	29.7	Very low	29.7	Very low	167 Å²	167	145.6 Å²	145.6	73%	0.732	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-95.2	0.6	-176.8	-82.7	-76.8	0	0	0	114.6	L791 R792	L791-F794 PolarHBondContact O-N 3.44Å; R792-F794 VanDerWaalsContact C-N 3.35Å
795	S	29	Very low	29.3	Very low	87 Å²	87	149.3 Å²	149.3	61%	0.608	76%	0.761	S	S	*	*	S	Bend	trans	-85.2	-2.3	-177.3	63.7	0	0	0	0	115.6	R792	R792-S795 PolarHBondContact O-OG 3.44Å
796	N	28	Very low	29	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	75%	0.75	S	S	*	*	S	Bend	trans	-104	-0.2	-172	-78.9	4.5	0	0	0	116.5
797	E	26.9	Very low	28.7	Very low	180 Å²	180	146 Å²	146	84%	0.841	75%	0.75	S	S	*	*			trans	-140.8	94.1	176.5	-75	-173.5	157.6	0	0	112.3
798	S	29.3	Very low	28.5	Very low	119 Å²	119	145 Å²	145	83%	0.832	75%	0.751	S	S	*	*			trans	-171.6	88.6	143.6	60.2	0	0	0	0	110.8
799	N	26.7	Very low	28.3	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	75%	0.747	S	S	*	*			trans	-95.6	142.8	156.5	-95	-24.8	0	0	0	108.9
800	S	27.5	Very low	28.2	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	74%	0.744	S	S	*	*			trans	73.1	99.8	169.1	80	0	0	0	0	117.9
801	N	27.3	Very low	28.1	Very low	158 Å²	158	141 Å²	141	85%	0.845	74%	0.74	S	S	*	*				169.4	119.2	95.4	-94.2	-26.5	0	0	0	110	N803	N801-N803 PolarHBondContact O-N 3.28Å
802	N	27.6	Very low	28.2	Very low	158 Å²	158	142.3 Å²	142.3	85%	0.845	74%	0.74	S	S	*	*			trans	-68	117.8	179	-70.2	-36.5	0	0	0	110.2
803	N	25.7	Very low	28.1	Very low	156 Å²	156	138 Å²	138	83%	0.834	74%	0.737	S	S	*	*			trans	-140.9	124.9	151.1	-94.5	-29.9	0	0	0	109.8	N801 L805	N801-N803 PolarHBondContact O-N 3.28Å; N803-L805 PolarHBondContact O-N 2.76Å
804	I	27.4	Very low	27.8	Very low	161 Å²	161	142.3 Å²	142.3	83%	0.826	75%	0.746	S	S	*	*			trans	-65.8	118.5	-166.7	-64.1	155.8	0	0	0	109.8
805	L	25.4	Very low	27.8	Very low	165 Å²	165	140.9 Å²	140.9	86%	0.864	74%	0.736	S	S	*	*			trans	-123.7	99.2	170.5	-119.8	110.5	0	0	0	109.9	N803	N803-L805 PolarHBondContact O-N 2.76Å
806	S	26.9	Very low	27.7	Very low	84 Å²	84	141.2 Å²	141.2	59%	0.587	75%	0.745	S	S	*	*			trans	-69.5	144.9	174.1	53.9	0	0	0	0	112.4
807	K	25.7	Very low	27.7	Very low	193 Å²	193	141.9 Å²	141.9	84%	0.839	75%	0.748	S	S	*	*			trans	60.5	81.3	167.1	-63.4	-175.7	178.9	-175.9	0	115.8	Q809	K807-Q809 VanDerWaalsContact C-N 3.3Å; K807-Q809 PolarHBondContact O-N 3.49Å
808	K	25.8	Very low	27.7	Very low	151 Å²	151	140.6 Å²	140.6	66%	0.657	75%	0.747	S	S	*	*			trans	-79.2	85.6	148.7	-76.7	-176.1	177.8	177.4	0	108.5	L754	L754-K808 HydrophobicContact CD1-CB 4.24Å; L754-K808 HydrophobicContact CD1-CD 4.11Å; L754-K808 HydrophobicContact CD1-CG 4.45Å
809	Q	28.1	Very low	27.5	Very low	137 Å²	137	144 Å²	144	64%	0.64	75%	0.75	S	S	*	*			trans	-50.2	145.9	137.4	-89.9	173.1	-31.8	0	0	106.2	K807 T811	K807-Q809 VanDerWaalsContact C-N 3.3Å; K807-Q809 PolarHBondContact O-N 3.49Å; Q809-T811 WeakPolarHBondContact O-CG2 3.01Å; Q809-T811 PolarHBondContact O-N 2.97Å
810	I	31.4	Very low	27.5	Very low	126 Å²	126	143.6 Å²	143.6	65%	0.646	75%	0.747	S	S	*	*			trans	-64.1	87.8	-179.7	-63.5	170.2	0	0	0	107.5	T728 K812	T728-I810 HydrophobicContact CG2-CD1 3.42Å; T728-I810 VanDerWaalsContact CG2-CD1 3.42Å; I810-K812 PolarHBondContact O-N 2.87Å
811	T	30	Very low	27.3	Very low	85 Å²	85	146.3 Å²	146.3	52%	0.521	75%	0.753	S	S	.	*			trans	-80.2	118.6	-174.2	44.2	0	0	0	0	106.9	Q809	Q809-T811 WeakPolarHBondContact O-CG2 3.01Å; Q809-T811 PolarHBondContact O-N 2.97Å
812	K	31.2	Very low	27	Very low	154 Å²	154	146.3 Å²	146.3	67%	0.67	75%	0.752	S	S	*	*			trans	74.7	103.8	147.5	-57.5	166.3	-178.9	176.1	0	114	I810 K814	I810-K812 PolarHBondContact O-N 2.87Å; K812-K814 HydrophobicContact CB-CG 4.16Å; K812-K814 PolarHBondContact O-N 3.08Å
813	V	29.6	Very low	26.9	Very low	123 Å²	123	144.9 Å²	144.9	75%	0.745	75%	0.749	S	S	*	*			trans	-63.5	89.5	141.4	-177.5	0	0	0	0	106.3	Y815	V813-Y815 PolarHBondContact O-N 3.28Å
814	K	24.9	Very low	26.8	Very low	174 Å²	174	144.4 Å²	144.4	76%	0.757	75%	0.745	S	S	*	*			trans	-72.4	117.9	165.5	-89.7	-173.4	174	-175.3	0	106.7	K812 A816	K812-K814 HydrophobicContact CB-CG 4.16Å; K812-K814 PolarHBondContact O-N 3.08Å; K814-A816 PolarHBondContact O-N 2.93Å
815	Y	29.7	Very low	26.7	Very low	136 Å²	136	144 Å²	144	53%	0.533	74%	0.743	S	S	.	*			trans	-63.7	119.5	170.5	-68.9	-89.6	0	0	0	108.7	V813 N817	V813-Y815 PolarHBondContact O-N 3.28Å; Y815-N817 VanDerWaalsContact C-N 3.3Å; Y815-N817 PolarHBondContact O-N 3.2Å
816	A	26.5	Very low	26.7	Very low	95 Å²	95	147.3 Å²	147.3	79%	0.785	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	90.8	167.7	0	0	0	0	0	107.7	K814	K814-A816 PolarHBondContact O-N 2.93Å
817	N	27.9	Very low	26.7	Very low	159 Å²	159	152.1 Å²	152.1	85%	0.85	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178.2	23.9	153.6	-91.7	-6.8	0	0	0	113.2	Y815	Y815-N817 VanDerWaalsContact C-N 3.3Å; Y815-N817 PolarHBondContact O-N 3.2Å
818	D	28.5	Very low	26.9	Very low	153 Å²	153	148.2 Å²	148.2	82%	0.818	75%	0.754	S	S	*	*			trans	-103	25.5	172.2	-80.3	-26.7	0	0	0	112.3	L820	D818-L820 VanDerWaalsContact C-N 3.25Å; D818-L820 PolarHBondContact O-N 3.32Å
819	E	25	Very low	26.9	Very low	191 Å²	191	147.5 Å²	147.5	89%	0.893	76%	0.763	S	S	*	*			trans	-76.1	77.8	168.1	-74.4	-163.2	171.6	0	0	110.6
820	L	25.4	Very low	26.8	Very low	154 Å²	154	146.9 Å²	146.9	81%	0.806	77%	0.771	S	S	*	*	S	Bend	trans	-137	85.6	153.8	-99.1	161.2	0	0	0	108	D818 L822	D818-L820 VanDerWaalsContact C-N 3.25Å; D818-L820 PolarHBondContact O-N 3.32Å; L820-L822 PolarHBondContact O-N 3.21Å
821	N	22.8	Very low	26.7	Very low	159 Å²	159	146.2 Å²	146.2	85%	0.85	78%	0.777	S	S	*	*			trans	11.9	89.6	157	-67	-21.3	0	0	0	115.7
822	L	22.2	Very low	26.5	Very low	158 Å²	158	148.4 Å²	148.4	83%	0.827	79%	0.79	S	S	*	*			trans	-107.2	110	162.4	-114.5	126.5	0	0	0	109.1	L820 I824	L820-L822 PolarHBondContact O-N 3.21Å; L822-I824 PolarHBondContact O-N 2.91Å
823	V	24.2	Very low	26.3	Very low	129 Å²	129	148.1 Å²	148.1	78%	0.782	79%	0.794	S	S	*	*			trans	-46.6	125.1	173.8	173.5	0	0	0	0	110.2	I825	V823-I825 PolarHBondContact O-N 2.88Å; V823-I825 VanDerWaalsContact O-N 3.15Å
824	I	24.2	Very low	26.2	Very low	146 Å²	146	148.8 Å²	148.8	75%	0.749	79%	0.794	S	S	*	*			trans	-65.4	106.5	178.4	-61.3	166.5	0	0	0	108.6	L822 R826	L822-I824 PolarHBondContact O-N 2.91Å; I824-R826 HydrophobicContact CG2-CG 4.34Å; I824-R826 PolarHBondContact O-N 2.94Å
825	I	25.8	Very low	26.2	Very low	153 Å²	153	146.3 Å²	146.3	79%	0.785	79%	0.793	S	S	*	*			trans	-79.2	109.3	161.5	-59.5	177.9	0	0	0	106.2	V823 E827	V823-I825 PolarHBondContact O-N 2.88Å; V823-I825 VanDerWaalsContact O-N 3.15Å; I825-E827 PolarHBondContact O-N 2.85Å; I825-E827 VanDerWaalsContact O-N 3.15Å
826	R	26.1	Very low	26.2	Very low	233 Å²	233	148.8 Å²	148.8	88%	0.879	81%	0.807	S	S	*	*			trans	-66.5	104.9	174.9	-70.5	178	175.8	169.6	-1.7	108.8	I824	I824-R826 HydrophobicContact CG2-CG 4.34Å; I824-R826 PolarHBondContact O-N 2.94Å
827	E	26.9	Very low	26.1	Very low	185 Å²	185	150.9 Å²	150.9	86%	0.864	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74	132.1	163	-79.3	-178.2	160	0	0	109.5	I825	I825-E827 PolarHBondContact O-N 2.85Å; I825-E827 VanDerWaalsContact O-N 3.15Å
828	S	28.5	Very low	26	Very low	112 Å²	112	150.7 Å²	150.7	78%	0.783	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.6	134.1	-179.2	40.1	0	0	0	0	111.6
829	T	27.2	Very low	25.9	Very low	135 Å²	135	152.5 Å²	152.5	83%	0.828	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-51.4	122	174.6	42.7	0	0	0	0	112.3
830	P	26	Very low	25.8	Very low	125 Å²	125	154.4 Å²	154.4	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-77.4	140.2	171.3	29.9	-29.1	0	0	0	110.4
831	S	28.6	Very low	25.9	Very low	112 Å²	112	154.1 Å²	154.1	78%	0.783	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64.6	134.1	-173.3	42.5	0	0	0	0	113.4	I833	S831-I833 PolarHBondContact O-N 2.98Å
832	V	26.6	Very low	26	Very low	130 Å²	130	156.2 Å²	156.2	79%	0.788	81%	0.809	S	S	*	*			trans	-65.1	110.4	176.2	176.3	0	0	0	0	110	N834	V832-N834 PolarHBondContact O-N 2.57Å
833	I	26.6	Very low	26.2	Very low	148 Å²	148	156.9 Å²	156.9	76%	0.759	81%	0.808	S	S	*	*			trans	-82.8	105	165.9	-63.5	177	0	0	0	107.9	S831 T835	S831-I833 PolarHBondContact O-N 2.98Å; I833-T835 PolarHBondContact O-N 2.93Å
834	N	26.4	Very low	26.2	Very low	137 Å²	137	156.4 Å²	156.4	73%	0.733	81%	0.806	S	S	*	*			trans	-72.6	96.1	-176.7	-143.2	-2.7	0	0	0	110.1	V832 K836	V832-N834 PolarHBondContact O-N 2.57Å; N834-K836 PolarHBondContact O-N 3Å
835	T	26.4	Very low	26.4	Very low	123 Å²	123	156.9 Å²	156.9	76%	0.755	81%	0.81	S	S	*	*			trans	-88.8	94.3	174	37.4	0	0	0	0	109.5	I833 T837	I833-T835 PolarHBondContact O-N 2.93Å; T835-T837 PolarHBondContact O-N 3.18Å
836	K	28.5	Very low	26.4	Very low	187 Å²	187	157.4 Å²	157.4	81%	0.813	81%	0.814	S	S	*	*			trans	-60.3	120.3	171.6	-83.2	-179.9	174.8	177.3	0	110.1	N834 I838	N834-K836 PolarHBondContact O-N 3Å; K836-I838 PolarHBondContact O-N 3.07Å
837	T	25	Very low	26.5	Very low	140 Å²	140	157.1 Å²	157.1	86%	0.859	81%	0.813	S	S	*	*			trans	-58.5	111.8	168.7	23.7	0	0	0	0	111.1	T835	T835-T837 PolarHBondContact O-N 3.18Å
838	I	25.8	Very low	26.4	Very low	155 Å²	155	153.8 Å²	153.8	80%	0.795	81%	0.81	S	S	*	*			trans	-85.1	113.6	169.4	-63.9	175.8	0	0	0	107.8	K836	K836-I838 PolarHBondContact O-N 3.07Å
839	K	25.7	Very low	26.4	Very low	190 Å²	190	157.6 Å²	157.6	83%	0.826	82%	0.815	S	S	*	*			trans	-66.2	126.8	175.7	-78.3	178	173.4	178.4	0	110.7	N841	K839-N841 PolarHBondContact O-N 3.29Å
840	Y	22.7	Very low	26.4	Very low	232 Å²	232	156 Å²	156	91%	0.91	81%	0.809	S	S	*	*			trans	-74.9	103.5	168.3	-88.8	-93.4	0	0	0	110.1
841	N	28.5	Very low	26.4	Very low	148 Å²	148	158.2 Å²	158.2	79%	0.791	81%	0.809	S	S	*	*			trans	-90.8	120.5	164.7	-94.5	-6	0	0	0	109.7	K839 H843	K839-N841 PolarHBondContact O-N 3.29Å; N841-H843 PolarHBondContact O-N 3.44Å
842	K	23.5	Very low	26.6	Very low	202 Å²	202	161.7 Å²	161.7	88%	0.878	81%	0.812	S	S	*	*			trans	-81.2	98.2	-178.5	-158.9	179.1	-169.6	-179.5	0	108.3
843	H	27.1	Very low	26.7	Very low	172 Å²	172	162 Å²	162	80%	0.796	81%	0.809	S	S	*	*			trans	-111.5	107.2	165.7	-99.5	-67.5	0	0	0	110	N841 N845	N841-H843 PolarHBondContact O-N 3.44Å; H843-N845 PolarHBondContact O-N 3.3Å
844	T	25.4	Very low	26.9	Very low	119 Å²	119	163.8 Å²	163.8	73%	0.73	81%	0.814	S	S	*	*			trans	-59.8	118.6	160.2	42.4	0	0	0	0	109.3
845	N	28.2	Very low	27.4	Very low	157 Å²	157	163.5 Å²	163.5	84%	0.84	82%	0.818	S	S	*	*			trans	-144.4	113.8	154.6	-97.9	-21.4	0	0	0	109.4	H843 R847	H843-N845 PolarHBondContact O-N 3.3Å; N845-R847 PolarHBondContact O-N 2.92Å
846	N	25.5	Very low	27.9	Very low	164 Å²	164	164.5 Å²	164.5	88%	0.877	82%	0.819	S	S	*	*			trans	-56.3	124.5	166.9	-71.1	-29.7	0	0	0	109.5
847	R	26.6	Very low	28.3	Very low	227 Å²	227	164.9 Å²	164.9	86%	0.857	82%	0.821	S	S	*	*			trans	-159	123.1	145.8	-111.4	167.1	-171	-176.3	2.3	110.8	N845	N845-R847 PolarHBondContact O-N 2.92Å
848	S	26.3	Very low	29.3	Very low	114 Å²	114	164.7 Å²	164.7	80%	0.797	82%	0.815	S	S	*	*			trans	-25.9	118.6	166.8	50	0	0	0	0	115.3
849	H	27.5	Very low	30.2	Very low	192 Å²	192	166.3 Å²	166.3	89%	0.889	81%	0.812	S	S	*	*			trans	-103.8	107.8	163.2	-89.2	-64.9	0	0	0	109.7
850	S	27.8	Very low	30.9	Very low	101 Å²	101	164.1 Å²	164.1	71%	0.706	80%	0.802	S	S	*	*			trans	-66.3	142.6	164.2	52.9	0	0	0	0	110.6	H852	S850-H852 PolarHBondContact O-N 3.18Å
851	H	27	Very low	32.4	Very low	173 Å²	173	156.1 Å²	156.1	80%	0.801	78%	0.78	S	S	*	*			trans	-45	125.2	173.2	-77.5	-81.1	0	0	0	114
852	H	31	Very low	33.9	Very low	184 Å²	184	154.1 Å²	154.1	85%	0.852	77%	0.769	S	S	*	*			trans	-133.7	99.8	149.7	-93.9	-57.1	0	0	0	108.6	S850	S850-H852 PolarHBondContact O-N 3.18Å
853	N	28.6	Very low	36	Very low	137 Å²	137	152.7 Å²	152.7	73%	0.733	76%	0.759	S	S	*	*			trans	-85.1	157.3	161.1	-84	-20.2	0	0	0	109.1
854	E	31.6	Very low	37.9	Very low	185 Å²	185	149.2 Å²	149.2	86%	0.864	75%	0.747	S	S	*	*			trans	83	81.8	166.8	-61	-175.4	150.5	0	0	118.3
855	T	37.1	Very low	40.3	Very low	131 Å²	131	150 Å²	150	80%	0.804	74%	0.742	S	S	*	*	S	Bend	trans	-159.1	4.2	137.1	41.7	0	0	0	0	115.8	F857	T855-F857 PolarHBondContact O-N 3.48Å
856	D	36	Very low	42.7	Very low	145 Å²	145	147 Å²	147	78%	0.775	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-3.1	-172.3	-89.8	-9.4	0	0	0	116.8
857	F	37.8	Very low	45.4	Very low	194 Å²	194	144.8 Å²	144.8	85%	0.851	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-14.7	-177.5	-103.1	-83.9	0	0	0	115.5	T855	T855-F857 PolarHBondContact O-N 3.48Å
858	N	45.7	Very low	47.9	Very low	137 Å²	137	137.9 Å²	137.9	73%	0.733	69%	0.688	S	S	*	*	H	α-helix	trans	-86.9	-25	-176.3	-96.1	-17.5	0	0	0	115.1	K860	N858-K860 PolarHBondContact O-N 2.98Å
859	Y	45.3	Very low	50.6	Low	189 Å²	189	134.4 Å²	134.4	74%	0.741	67%	0.67	S	S	*	*	H	α-helix	trans	-71.4	-29.6	-177.4	-99.8	-84.4	0	0	0	113.6	Y863	Y859-Y863 PolarHBondContact O-N 2.89Å
860	K	39.5	Very low	53.3	Low	144 Å²	144	130.2 Å²	130.2	63%	0.626	65%	0.653	S	S	*	*	H	α-helix	trans	-76.8	-32	-175.3	-152.2	171.7	-173	174	0	113.2	N858	N858-K860 PolarHBondContact O-N 2.98Å
861	S	53.6	Low	56	Low	64 Å²	64	129.3 Å²	129.3	45%	0.448	64%	0.64	S	S	.	*	H	α-helix	trans	-72.3	-42.9	176.5	-171.5	0	0	0	0	111.4	Y863 N864 H865	S861-Y863 VanDerWaalsContact C-N 3.34Å; S861-Y863 PolarHBondContact O-N 2.78Å; S861-N864 PolarHBondContact O-N 2.85Å; S861-H865 PolarHBondContact O-CD2 3.47Å; S861-H865 PolarHBondContact O-N 3.14Å
862	L	60.9	Low	58.6	Low	106 Å²	106	125.9 Å²	125.9	56%	0.555	63%	0.626	S	S	*	*	H	α-helix	trans	-61.8	-41.3	179.4	-165.2	77	0	0	0	111.9	N864 H865 I866	L862-N864 PolarHBondContact O-N 3.33Å; L862-H865 PolarHBondContact O-N 3.38Å; L862-I866 HydrophobicContact CD2-CD1 4.33Å; L862-I866 HydrophobicContact CG-CD1 3.99Å; L862-I866 VanDerWaalsContact O-CG1 3.32Å; L862-I866 WeakPolarHBondContact O-CG1 3.47Å; L862-I866 PolarHBondContact O-N 3.17Å
863	Y	67.9	Low	61.1	Low	171 Å²	171	122.1 Å²	122.1	67%	0.671	61%	0.612	S	S	*	*	H	α-helix	trans	-63.8	-40.2	179.9	-160.3	-91.3	0	0	0	112.7	Y859 S861 I866 F867	Y859-Y863 PolarHBondContact O-N 2.89Å; S861-Y863 VanDerWaalsContact C-N 3.34Å; S861-Y863 PolarHBondContact O-N 2.78Å; Y863-I866 PolarHBondContact O-N 3.03Å; Y863-F867 WeakPolarHBondContact O-CB 3.26Å; Y863-F867 PolarHBondContact O-N 3.49Å
864	N	66.4	Low	63.6	Low	99 Å²	99	117.9 Å²	117.9	53%	0.529	59%	0.593	S	S	.	*	H	α-helix	trans	-68.1	-37.8	177.6	-84.4	-7.6	0	0	0	112.5	S861 L862 N868	S861-N864 PolarHBondContact O-N 2.85Å; L862-N864 PolarHBondContact O-N 3.33Å; N864-N868 WeakPolarHBondContact O-CB 3.34Å; N864-N868 PolarHBondContact O-N 3.26Å; N864-N868 PolarHBondContact O-ND2 3.27Å
865	H	76.3	Confident	65.9	Low	135 Å²	135	113.4 Å²	113.4	63%	0.625	57%	0.574	S	S	*	*	H	α-helix	trans	-67.9	-39.9	176.3	-81.9	-65.2	0	0	0	112.4	S861 L862 G869	S861-H865 PolarHBondContact O-CD2 3.47Å; S861-H865 PolarHBondContact O-N 3.14Å; L862-H865 PolarHBondContact O-N 3.38Å; H865-G869 PolarHBondContact O-N 3.31Å
866	I	77.8	Confident	67.9	Low	94 Å²	94	111.3 Å²	111.3	48%	0.482	56%	0.557	S	S	.	*	H	α-helix	trans	-65.3	-44.9	175.6	-66.9	169.2	0	0	0	110.6	L862 Y863 N868 G869 I870	L862-I866 HydrophobicContact CD2-CD1 4.33Å; L862-I866 HydrophobicContact CG-CD1 3.99Å; L862-I866 VanDerWaalsContact O-CG1 3.32Å; L862-I866 WeakPolarHBondContact O-CG1 3.47Å; L862-I866 PolarHBondContact O-N 3.17Å; Y863-I866 PolarHBondContact O-N 3.03Å; I866-N868 PolarHBondContact O-N 3.39Å; I866-G869 PolarHBondContact O-N 3.31Å; I866-I870 HydrophobicContact CG2-CD1 3.86Å; I866-I870 WeakPolarHBondContact O-CG1 3.42Å; I866-I870 PolarHBondContact O-N 2.95Å
867	F	82.2	Confident	70.1	Confident	118 Å²	118	109.6 Å²	109.6	52%	0.518	55%	0.547	S	S	.	.	H	α-helix	trans	-62.3	-45.1	179	-174.1	-95.4	0	0	0	112.3	Y863 G869 I870 L871	Y863-F867 WeakPolarHBondContact O-CB 3.26Å; Y863-F867 PolarHBondContact O-N 3.49Å; F867-G869 VanDerWaalsContact C-N 3.33Å; F867-G869 PolarHBondContact O-N 3.38Å; F867-I870 PolarHBondContact O-N 3.46Å; F867-L871 PolarHBondContact O-N 2.98Å
868	N	79.8	Confident	72.2	Confident	82 Å²	82	105.2 Å²	105.2	44%	0.439	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-36.7	176.2	-76.5	-24.6	0	0	0	112.1	N864 I866 L871 I872	N864-N868 WeakPolarHBondContact O-CB 3.34Å; N864-N868 PolarHBondContact O-N 3.26Å; N864-N868 PolarHBondContact O-ND2 3.27Å; I866-N868 PolarHBondContact O-N 3.39Å; N868-L871 PolarHBondContact O-N 3.19Å; N868-I872 VanDerWaalsContact O-CG1 3.26Å; N868-I872 WeakPolarHBondContact O-CG1 3.23Å; N868-I872 PolarHBondContact O-N 3.2Å
869	G	82.2	Confident	73.5	Confident	41 Å²	41	102 Å²	102	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-44.5	173.6	0	0	0	0	0	112.6	H865 I866 F867 I872 L873	H865-G869 PolarHBondContact O-N 3.31Å; I866-G869 PolarHBondContact O-N 3.31Å; F867-G869 VanDerWaalsContact C-N 3.33Å; F867-G869 PolarHBondContact O-N 3.38Å; G869-I872 PolarHBondContact O-N 2.98Å; G869-L873 WeakPolarHBondContact O-CB 3.46Å; G869-L873 PolarHBondContact O-N 2.74Å
870	I	85.4	Confident	75	Confident	105 Å²	105	97.3 Å²	97.3	54%	0.538	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-40.5	177.3	-65.9	166.5	0	0	0	111.1	I866 F867 L873 S874	I866-I870 HydrophobicContact CG2-CD1 3.86Å; I866-I870 WeakPolarHBondContact O-CG1 3.42Å; I866-I870 PolarHBondContact O-N 2.95Å; F867-I870 PolarHBondContact O-N 3.46Å; I870-L873 PolarHBondContact O-N 3.35Å; I870-S874 WeakPolarHBondContact O-CB 3.48Å; I870-S874 PolarHBondContact O-N 3.23Å; I870-S874 PolarHBondContact O-OG 2.76Å
871	L	82.8	Confident	76.8	Confident	82 Å²	82	93.4 Å²	93.4	43%	0.429	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-45.3	177.5	-169.9	78.6	0	0	0	111.8	F867 N868 S874 I875	F867-L871 PolarHBondContact O-N 2.98Å; N868-L871 PolarHBondContact O-N 3.19Å; L871-S874 WeakPolarHBondContact CA-OG 3.17Å; L871-S874 PolarHBondContact O-N 3.32Å; L871-S874 PolarHBondContact O-OG 3.06Å; L871-I875 HydrophobicContact CG-CD1 4.21Å; L871-I875 VanDerWaalsContact O-CG1 3.27Å; L871-I875 WeakPolarHBondContact O-CG1 3.44Å; L871-I875 PolarHBondContact O-N 2.77Å
872	I	83	Confident	77.7	Confident	100 Å²	100	96.7 Å²	96.7	51%	0.513	50%	0.501	S	S	.	.	H	α-helix	trans	-66.1	-42.3	179	-67.8	166.4	0	0	0	110.5	N868 G869 S874 I875 L876	N868-I872 VanDerWaalsContact O-CG1 3.26Å; N868-I872 WeakPolarHBondContact O-CG1 3.23Å; N868-I872 PolarHBondContact O-N 3.2Å; G869-I872 PolarHBondContact O-N 2.98Å; I872-S874 PolarHBondContact O-N 3.09Å; I872-I875 PolarHBondContact O-N 2.76Å; I872-L876 HydrophobicContact CG2-CD1 4.01Å; I872-L876 WeakPolarHBondContact O-CG 3.3Å; I872-L876 PolarHBondContact O-N 3.33Å
873	L	84.2	Confident	78.3	Confident	106 Å²	106	94.4 Å²	94.4	56%	0.555	50%	0.495	S	S	*	.	H	α-helix	trans	-65.2	-39.7	179	-167.3	70	0	0	0	111.9	G869 I870 L876 I877	G869-L873 WeakPolarHBondContact O-CB 3.46Å; G869-L873 PolarHBondContact O-N 2.74Å; I870-L873 PolarHBondContact O-N 3.35Å; L873-L876 PolarHBondContact O-N 2.72Å; L873-I877 HydrophobicContact CD1-CD1 4.39Å; L873-I877 HydrophobicContact CD2-CD1 4.36Å; L873-I877 HydrophobicContact CG-CD1 3.85Å; L873-I877 WeakPolarHBondContact O-CB 3.13Å; L873-I877 VanDerWaalsContact O-CG1 3.26Å; L873-I877 WeakPolarHBondContact O-CG1 3.3Å; L873-I877 PolarHBondContact O-N 2.79Å
874	S	80.6	Confident	78.4	Confident	47 Å²	47	92.6 Å²	92.6	33%	0.329	49%	0.494	S	S	.	.	H	α-helix	trans	-68.4	-37.8	177.1	44.1	0	0	0	0	112.7	I870 L871 I872 I878	I870-S874 WeakPolarHBondContact O-CB 3.48Å; I870-S874 PolarHBondContact O-N 3.23Å; I870-S874 PolarHBondContact O-OG 2.76Å; L871-S874 WeakPolarHBondContact CA-OG 3.17Å; L871-S874 PolarHBondContact O-N 3.32Å; L871-S874 PolarHBondContact O-OG 3.06Å; I872-S874 PolarHBondContact O-N 3.09Å; S874-I878 WeakPolarHBondContact O-CB 2.85Å; S874-I878 VanDerWaalsContact O-CG1 3.28Å; S874-I878 WeakPolarHBondContact O-CG1 3.45Å; S874-I878 PolarHBondContact O-N 3.4Å
875	I	79.4	Confident	78.7	Confident	91 Å²	91	92.4 Å²	92.4	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-44.7	171.6	-68.3	165.8	0	0	0	110.7	L871 I872 C879	L871-I875 HydrophobicContact CG-CD1 4.21Å; L871-I875 VanDerWaalsContact O-CG1 3.27Å; L871-I875 WeakPolarHBondContact O-CG1 3.44Å; L871-I875 PolarHBondContact O-N 2.77Å; I872-I875 PolarHBondContact O-N 2.76Å; I875-C879 WeakPolarHBondContact O-CB 3.29Å; I875-C879 PolarHBondContact O-N 2.94Å; I875-C879 PolarHBondContact O-SG 2.92Å; I875-C879 VanDerWaalsContact O-SG 3.42Å
876	L	80	Confident	78.2	Confident	88 Å²	88	88.8 Å²	88.8	46%	0.461	48%	0.481	S	S	.	.	H	α-helix	trans	-65.3	-42.8	179.8	-74	167.8	0	0	0	112.5	I872 L873 I880	I872-L876 HydrophobicContact CG2-CD1 4.01Å; I872-L876 WeakPolarHBondContact O-CG 3.3Å; I872-L876 PolarHBondContact O-N 3.33Å; L873-L876 PolarHBondContact O-N 2.72Å; L876-I880 HydrophobicContact CB-CD1 4.36Å; L876-I880 HydrophobicContact CD2-CD1 3.78Å; L876-I880 WeakPolarHBondContact O-CB 3.2Å; L876-I880 WeakPolarHBondContact O-CD1 3.2Å; L876-I880 VanDerWaalsContact O-CG1 3.27Å; L876-I880 WeakPolarHBondContact O-CG1 3.45Å; L876-I880 PolarHBondContact O-N 3.22Å
877	I	82.4	Confident	77.5	Confident	108 Å²	108	85.4 Å²	85.4	55%	0.554	47%	0.469	S	S	*	.	H	α-helix	trans	-70.2	-35.7	-178.7	-68	169.1	0	0	0	111.7	L873 P881	L873-I877 HydrophobicContact CD1-CD1 4.39Å; L873-I877 HydrophobicContact CD2-CD1 4.36Å; L873-I877 HydrophobicContact CG-CD1 3.85Å; L873-I877 WeakPolarHBondContact O-CB 3.13Å; L873-I877 VanDerWaalsContact O-CG1 3.26Å; L873-I877 WeakPolarHBondContact O-CG1 3.3Å; L873-I877 PolarHBondContact O-N 2.79Å; I877-P881 WeakPolarHBondContact O-CD 3.34Å; I877-P881 WeakPolarHBondContact O-CG 3.41Å
878	I	79.9	Confident	76.5	Confident	102 Å²	102	89.5 Å²	89.5	52%	0.523	48%	0.483	S	S	.	.	H	α-helix	trans	-87.8	-45.1	-175.4	-63	169.4	0	0	0	111.6	S874 F882	S874-I878 WeakPolarHBondContact O-CB 2.85Å; S874-I878 VanDerWaalsContact O-CG1 3.28Å; S874-I878 WeakPolarHBondContact O-CG1 3.45Å; S874-I878 PolarHBondContact O-N 3.4Å; I878-F882 PolarHBondContact O-N 3.32Å
879	C	74.9	Confident	75.7	Confident	70 Å²	70	92 Å²	92	47%	0.473	50%	0.495	S	S	.	.	H	α-helix	trans	-79	-32.4	-169.8	-62.9	0	0	0	0	113.2	I875 S883	I875-C879 WeakPolarHBondContact O-CB 3.29Å; I875-C879 PolarHBondContact O-N 2.94Å; I875-C879 PolarHBondContact O-SG 2.92Å; I875-C879 VanDerWaalsContact O-SG 3.42Å; C879-S883 WeakPolarHBondContact O-CB 3.3Å; C879-S883 PolarHBondContact O-N 3.14Å
880	I	75.5	Confident	74.1	Confident	90 Å²	90	96 Å²	96	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-65.8	-50.7	-178.2	-63.3	174.2	0	0	0	111.2	L876 F882 S883 M884	L876-I880 HydrophobicContact CB-CD1 4.36Å; L876-I880 HydrophobicContact CD2-CD1 3.78Å; L876-I880 WeakPolarHBondContact O-CB 3.2Å; L876-I880 WeakPolarHBondContact O-CD1 3.2Å; L876-I880 VanDerWaalsContact O-CG1 3.27Å; L876-I880 WeakPolarHBondContact O-CG1 3.45Å; L876-I880 PolarHBondContact O-N 3.22Å; I880-F882 PolarHBondContact O-N 3.28Å; I880-S883 PolarHBondContact O-N 2.84Å; I880-S883 PolarHBondContact O-OG 2.83Å; I880-M884 PolarHBondContact O-N 2.93Å; I880-M884 VanDerWaalsContact O-N 3.13Å
881	P	76.8	Confident	72	Confident	62 Å²	62	94.2 Å²	94.2	40%	0.403	51%	0.513	S	S	.	.	H	α-helix	trans	-65	-39.9	178.2	-18.7	31.6	0	0	0	112.3	I877 S883 M884 I885	I877-P881 WeakPolarHBondContact O-CD 3.34Å; I877-P881 WeakPolarHBondContact O-CG 3.41Å; P881-S883 VanDerWaalsContact C-N 3.32Å; P881-S883 PolarHBondContact O-N 2.91Å; P881-M884 PolarHBondContact O-N 2.89Å; P881-M884 VanDerWaalsContact O-N 3.16Å; P881-I885 VanDerWaalsContact O-CG1 3.28Å; P881-I885 WeakPolarHBondContact O-CG1 3.44Å; P881-I885 PolarHBondContact O-N 2.03Å
882	F	73.1	Confident	70	Confident	133 Å²	133	95.1 Å²	95.1	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-40.3	177	-105.1	-85.1	0	0	0	112	I878 I880 M884 I885 C886	I878-F882 PolarHBondContact O-N 3.32Å; I880-F882 PolarHBondContact O-N 3.28Å; F882-M884 VanDerWaalsContact C-N 3.31Å; F882-M884 PolarHBondContact O-N 3.06Å; F882-I885 PolarHBondContact O-N 2.87Å; F882-C886 WeakPolarHBondContact O-CB 3.49Å; F882-C886 PolarHBondContact O-N 2.9Å; F882-C886 PolarHBondContact O-SG 3.43Å; F882-C886 VanDerWaalsContact O-SG 3.33Å
883	S	74.5	Confident	68.4	Low	59 Å²	59	100.1 Å²	100.1	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-36.4	175.3	82.4	0	0	0	0	112.3	C879 I880 P881 G887	C879-S883 WeakPolarHBondContact O-CB 3.3Å; C879-S883 PolarHBondContact O-N 3.14Å; I880-S883 PolarHBondContact O-N 2.84Å; I880-S883 PolarHBondContact O-OG 2.83Å; P881-S883 VanDerWaalsContact C-N 3.32Å; P881-S883 PolarHBondContact O-N 2.91Å; S883-G887 PolarHBondContact O-N 3.29Å
884	M	68.9	Low	66.8	Low	133 Å²	133	99.8 Å²	99.8	66%	0.655	54%	0.535	S	S	*	.	H	α-helix	trans	-68.2	-42.5	175.6	-77.1	-171.3	133.3	0	0	111.9	I880 P881 F882 G887 Y888	I880-M884 PolarHBondContact O-N 2.93Å; I880-M884 VanDerWaalsContact O-N 3.13Å; P881-M884 PolarHBondContact O-N 2.89Å; P881-M884 VanDerWaalsContact O-N 3.16Å; F882-M884 VanDerWaalsContact C-N 3.31Å; F882-M884 PolarHBondContact O-N 3.06Å; M884-G887 PolarHBondContact O-N 3.09Å; M884-Y888 PolarHBondContact O-N 3.12Å
885	I	74	Confident	65.1	Low	94 Å²	94	103 Å²	103	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-45.7	178.7	-66.5	163.8	0	0	0	110.5	P881 F882 G887 Y888 L889	P881-I885 VanDerWaalsContact O-CG1 3.28Å; P881-I885 WeakPolarHBondContact O-CG1 3.44Å; P881-I885 PolarHBondContact O-N 2.03Å; F882-I885 PolarHBondContact O-N 2.87Å; I885-G887 VanDerWaalsContact C-N 3.33Å; I885-G887 PolarHBondContact O-N 3Å; I885-Y888 PolarHBondContact O-N 3.06Å; I885-L889 HydrophobicContact CG2-CD1 3.91Å; I885-L889 WeakPolarHBondContact O-CG 3.47Å; I885-L889 PolarHBondContact O-N 3.29Å
886	C	65.7	Low	63.4	Low	60 Å²	60	105.8 Å²	105.8	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-62.7	-40.3	175.1	-72	0	0	0	0	111.7	F882 Y888 L889 I890	F882-C886 WeakPolarHBondContact O-CB 3.49Å; F882-C886 PolarHBondContact O-N 2.9Å; F882-C886 PolarHBondContact O-SG 3.43Å; F882-C886 VanDerWaalsContact O-SG 3.33Å; C886-Y888 VanDerWaalsContact C-N 3.33Å; C886-Y888 PolarHBondContact O-N 2.79Å; C886-L889 PolarHBondContact O-N 3.18Å; C886-I890 WeakPolarHBondContact O-CB 3.32Å; C886-I890 WeakPolarHBondContact O-CD1 3.23Å; C886-I890 VanDerWaalsContact O-CG1 3.29Å; C886-I890 WeakPolarHBondContact O-CG1 2.94Å; C886-I890 PolarHBondContact O-N 2.99Å; C886-I890 VanDerWaalsContact O-N 3.16Å
887	G	62.2	Low	61.8	Low	22 Å²	22	109.1 Å²	109.1	23%	0.227	57%	0.567	C	S	.	*	H	α-helix	trans	-63.1	-36.7	175.8	0	0	0	0	0	113.2	S883 M884 I885	S883-G887 PolarHBondContact O-N 3.29Å; M884-G887 PolarHBondContact O-N 3.09Å; I885-G887 VanDerWaalsContact C-N 3.33Å; I885-G887 PolarHBondContact O-N 3Å
888	Y	62.3	Low	60.2	Low	205 Å²	205	110.5 Å²	110.5	80%	0.804	57%	0.571	S	S	*	*	H	α-helix	trans	-73.8	-41.4	177.4	-166.8	-95.7	0	0	0	112.5	M884 I885 C886 I890 G891	M884-Y888 PolarHBondContact O-N 3.12Å; I885-Y888 PolarHBondContact O-N 3.06Å; C886-Y888 VanDerWaalsContact C-N 3.33Å; C886-Y888 PolarHBondContact O-N 2.79Å; Y888-I890 VanDerWaalsContact C-N 3.32Å; Y888-I890 PolarHBondContact O-N 2.87Å; Y888-G891 PolarHBondContact O-N 2.81Å
889	L	61.5	Low	58.4	Low	135 Å²	135	111.4 Å²	111.4	71%	0.707	57%	0.568	S	S	*	*	H	α-helix	trans	-67.3	-30.6	-179.8	-77.3	168.3	0	0	0	113.3	I885 C886 G891	I885-L889 HydrophobicContact CG2-CD1 3.91Å; I885-L889 WeakPolarHBondContact O-CG 3.47Å; I885-L889 PolarHBondContact O-N 3.29Å; C886-L889 PolarHBondContact O-N 3.18Å; L889-G891 PolarHBondContact O-N 3.02Å
890	I	49.3	Very low	57.2	Low	125 Å²	125	110.8 Å²	110.8	64%	0.641	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	3.3	-174.7	-69.5	168.2	0	0	0	112.7	C886 Y888 N892	C886-I890 WeakPolarHBondContact O-CB 3.32Å; C886-I890 WeakPolarHBondContact O-CD1 3.23Å; C886-I890 VanDerWaalsContact O-CG1 3.29Å; C886-I890 WeakPolarHBondContact O-CG1 2.94Å; C886-I890 PolarHBondContact O-N 2.99Å; C886-I890 VanDerWaalsContact O-N 3.16Å; Y888-I890 VanDerWaalsContact C-N 3.32Å; Y888-I890 PolarHBondContact O-N 2.87Å; I890-N892 PolarHBondContact O-N 3.23Å
891	G	40.3	Very low	56	Low	67 Å²	67	110.7 Å²	110.7	69%	0.691	57%	0.572	S	S	*	*			trans	58.5	19	159.4	0	0	0	0	0	115.3	Y888 L889	Y888-G891 PolarHBondContact O-N 2.81Å; L889-G891 PolarHBondContact O-N 3.02Å
892	N	40.9	Very low	54.4	Low	101 Å²	101	114.1 Å²	114.1	54%	0.54	58%	0.578	S	S	.	*			trans	-101.1	99.5	-173.2	-157.7	-16.7	0	0	0	108.7	I890 N894 Y895	I890-N892 PolarHBondContact O-N 3.23Å; N892-N894 PolarHBondContact O-N 3.27Å; N892-Y895 PolarHBondContact O-N 3.35Å
893	K	49.6	Very low	53.2	Low	205 Å²	205	111.5 Å²	111.5	89%	0.891	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-2.2	177.4	-80.3	-175.4	175.6	179.3	0	114.6
894	N	51.2	Low	52	Low	98 Å²	98	115.8 Å²	115.8	52%	0.524	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.6	-2.5	174.4	-73.8	-34.2	0	0	0	115.6	N892 L896 K897 Q898	N892-N894 PolarHBondContact O-N 3.27Å; N894-L896 VanDerWaalsContact C-N 3.29Å; N894-L896 PolarHBondContact O-N 2.76Å; N894-K897 VanDerWaalsContact O-CB 3.32Å; N894-K897 WeakPolarHBondContact O-CB 3.44Å; N894-K897 PolarHBondContact O-N 3.34Å; N894-Q898 PolarHBondContact O-N 2.91Å
895	Y	44	Very low	51.2	Low	115 Å²	115	112.7 Å²	112.7	45%	0.451	57%	0.569	S	S	.	*	H	α-helix	trans	-64.8	-34.3	175.9	-155.6	-94.1	0	0	0	112.3	N892 K897 Q898 Y899	N892-Y895 PolarHBondContact O-N 3.35Å; Y895-K897 PolarHBondContact O-N 3.36Å; Y895-Q898 PolarHBondContact O-N 2.85Å; Y895-Q898 VanDerWaalsContact O-N 3.16Å; Y895-Y899 PolarHBondContact O-N 2.98Å; Y895-Y899 VanDerWaalsContact O-N 3.08Å
896	L	45.1	Very low	49.8	Very low	150 Å²	150	113.6 Å²	113.6	79%	0.785	57%	0.57	S	S	*	*	H	α-helix	trans	-62.9	-27.4	174.3	-137.4	93.2	0	0	0	112.3	N894 Y899 A900	N894-L896 VanDerWaalsContact C-N 3.29Å; N894-L896 PolarHBondContact O-N 2.76Å; L896-Y899 PolarHBondContact O-N 3.07Å; L896-A900 PolarHBondContact O-N 2.82Å
897	K	46.1	Very low	48.8	Very low	158 Å²	158	119.8 Å²	119.8	69%	0.687	59%	0.585	S	S	*	*	H	α-helix	trans	-73.2	-33.4	177.8	-132.7	177.3	-174.6	179.7	0	111.8	N894 Y895 A900 V901	N894-K897 VanDerWaalsContact O-CB 3.32Å; N894-K897 WeakPolarHBondContact O-CB 3.44Å; N894-K897 PolarHBondContact O-N 3.34Å; Y895-K897 PolarHBondContact O-N 3.36Å; K897-A900 WeakPolarHBondContact O-CB 3.38Å; K897-A900 PolarHBondContact O-N 3.46Å; K897-V901 PolarHBondContact O-N 2.76Å
898	Q	48.6	Very low	48	Very low	136 Å²	136	123.3 Å²	123.3	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-75.3	-32.2	172.2	-75	-175.6	-15.4	0	0	112.2	N894 Y895 A900 V901 Y902	N894-Q898 PolarHBondContact O-N 2.91Å; Y895-Q898 PolarHBondContact O-N 2.85Å; Y895-Q898 VanDerWaalsContact O-N 3.16Å; Q898-A900 VanDerWaalsContact C-N 3.27Å; Q898-A900 PolarHBondContact O-N 2.96Å; Q898-V901 WeakPolarHBondContact O-CB 3.12Å; Q898-V901 PolarHBondContact O-N 2.84Å; Q898-Y902 PolarHBondContact O-N 2.96Å
899	Y	42.8	Very low	47.1	Very low	121 Å²	121	119 Å²	119	48%	0.475	59%	0.588	S	S	.	*	H	α-helix	trans	-67.2	-29.6	172.1	-137.7	-89.2	0	0	0	112.6	Y895 L896 V901 Y902 N903	Y895-Y899 PolarHBondContact O-N 2.98Å; Y895-Y899 VanDerWaalsContact O-N 3.08Å; L896-Y899 PolarHBondContact O-N 3.07Å; Y899-V901 VanDerWaalsContact C-N 3.3Å; Y899-V901 PolarHBondContact O-N 2.88Å; Y899-Y902 PolarHBondContact O-N 3.05Å; Y899-N903 PolarHBondContact O-N 3.38Å
900	A	49.2	Very low	46.2	Very low	58 Å²	58	119 Å²	119	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-63.4	-35.5	169.2	0	0	0	0	0	112	L896 K897 Q898 K904	L896-A900 PolarHBondContact O-N 2.82Å; K897-A900 WeakPolarHBondContact O-CB 3.38Å; K897-A900 PolarHBondContact O-N 3.46Å; Q898-A900 VanDerWaalsContact C-N 3.27Å; Q898-A900 PolarHBondContact O-N 2.96Å; A900-K904 VanDerWaalsContact O-CB 3.27Å; A900-K904 WeakPolarHBondContact O-CB 3.12Å; A900-K904 PolarHBondContact O-N 2.94Å
901	V	49.2	Very low	45.9	Very low	88 Å²	88	119.2 Å²	119.2	53%	0.533	58%	0.583	S	S	.	*	H	α-helix	trans	-68.1	-41.5	174.1	-179.7	0	0	0	0	110.8	K897 Q898 Y899 K904 V905	K897-V901 PolarHBondContact O-N 2.76Å; Q898-V901 WeakPolarHBondContact O-CB 3.12Å; Q898-V901 PolarHBondContact O-N 2.84Å; Y899-V901 VanDerWaalsContact C-N 3.3Å; Y899-V901 PolarHBondContact O-N 2.88Å; V901-K904 CarbonylContact O-C 3.59Å; V901-K904 WeakPolarHBondContact O-CB 3.03Å; V901-K904 PolarHBondContact O-N 3.08Å; V901-K904 VanDerWaalsContact O-N 3.15Å; V901-V905 HydrophobicContact CG1-CG2 4.37Å; V901-V905 WeakPolarHBondContact O-CG2 3.43Å; V901-V905 PolarHBondContact O-N 3.14Å
902	Y	44.2	Very low	45.9	Very low	133 Å²	133	124.4 Å²	124.4	52%	0.522	59%	0.588	S	S	.	*	H	α-helix	trans	-64	-42.7	175.1	-175.7	-102.1	0	0	0	112.3	Q898 Y899 K904 V905 K906	Q898-Y902 PolarHBondContact O-N 2.96Å; Y899-Y902 PolarHBondContact O-N 3.05Å; Y902-K904 VanDerWaalsContact C-N 3.27Å; Y902-K904 PolarHBondContact O-N 3.33Å; Y902-V905 PolarHBondContact O-N 3.05Å; Y902-K906 HydrophobicContact CE1-CD 4.2Å; Y902-K906 VanDerWaalsContact O-CB 3.24Å; Y902-K906 WeakPolarHBondContact O-CB 3.49Å; Y902-K906 PolarHBondContact O-N 3.12Å
903	N	47.2	Very low	45.6	Very low	78 Å²	78	126.8 Å²	126.8	42%	0.417	60%	0.596	S	S	.	*	H	α-helix	trans	-67.7	-27.9	173.9	-82.5	-21.9	0	0	0	112.5	Y899 R907	Y899-N903 PolarHBondContact O-N 3.38Å; N903-R907 WeakPolarHBondContact O-CB 3.38Å; N903-R907 WeakPolarHBondContact O-CG 3.13Å; N903-R907 PolarHBondContact O-N 3.15Å
904	K	49.5	Very low	44.8	Very low	149 Å²	149	123.9 Å²	123.9	65%	0.648	59%	0.585	S	S	*	*	H	α-helix	trans	-71.6	-41.2	173	-152.7	174.5	-172.3	-176.1	0	111.2	A900 V901 Y902 R907 L908	A900-K904 VanDerWaalsContact O-CB 3.27Å; A900-K904 WeakPolarHBondContact O-CB 3.12Å; A900-K904 PolarHBondContact O-N 2.94Å; V901-K904 CarbonylContact O-C 3.59Å; V901-K904 WeakPolarHBondContact O-CB 3.03Å; V901-K904 PolarHBondContact O-N 3.08Å; V901-K904 VanDerWaalsContact O-N 3.15Å; Y902-K904 VanDerWaalsContact C-N 3.27Å; Y902-K904 PolarHBondContact O-N 3.33Å; K904-R907 PolarHBondContact O-N 3.15Å; K904-L908 VanDerWaalsContact O-CB 3.31Å; K904-L908 WeakPolarHBondContact O-CB 3.4Å; K904-L908 WeakPolarHBondContact O-CD1 3.32Å; K904-L908 VanDerWaalsContact O-CG 3.23Å; K904-L908 WeakPolarHBondContact O-CG 2.98Å; K904-L908 PolarHBondContact O-N 3.34Å
905	V	52.7	Low	43.7	Very low	68 Å²	68	127.7 Å²	127.7	41%	0.412	60%	0.6	S	S	.	*	H	α-helix	trans	-70.3	-39.1	174.7	174.8	0	0	0	0	111.2	V901 Y902 L908 L909	V901-V905 HydrophobicContact CG1-CG2 4.37Å; V901-V905 WeakPolarHBondContact O-CG2 3.43Å; V901-V905 PolarHBondContact O-N 3.14Å; Y902-V905 PolarHBondContact O-N 3.05Å; V905-L908 CarbonylContact O-C 3.58Å; V905-L908 PolarHBondContact O-N 2.8Å; V905-L909 HydrophobicContact CG1-CD1 3.8Å; V905-L909 WeakPolarHBondContact O-CB 3.3Å; V905-L909 PolarHBondContact O-N 2.93Å
906	K	44.6	Very low	42.9	Very low	113 Å²	113	131 Å²	131	49%	0.491	62%	0.619	S	S	.	*	H	α-helix	trans	-67.3	-39.5	174.3	-170.4	177.3	179.7	-177.8	0	111.5	Y902 L909 H910	Y902-K906 HydrophobicContact CE1-CD 4.2Å; Y902-K906 VanDerWaalsContact O-CB 3.24Å; Y902-K906 WeakPolarHBondContact O-CB 3.49Å; Y902-K906 PolarHBondContact O-N 3.12Å; K906-L909 PolarHBondContact O-N 3.3Å; K906-H910 WeakPolarHBondContact O-CB 3.46Å; K906-H910 PolarHBondContact O-N 2.66Å
907	R	44.5	Very low	42	Very low	191 Å²	191	131.6 Å²	131.6	72%	0.721	62%	0.618	S	S	*	*	H	α-helix	trans	-66.5	-38.1	170.4	-83.1	-175.6	177	169.6	-0.4	111.9	N903 K904 H910 Q911	N903-R907 WeakPolarHBondContact O-CB 3.38Å; N903-R907 WeakPolarHBondContact O-CG 3.13Å; N903-R907 PolarHBondContact O-N 3.15Å; K904-R907 PolarHBondContact O-N 3.15Å; R907-H910 PolarHBondContact O-N 3.46Å; R907-Q911 VanDerWaalsContact O-CB 3.24Å; R907-Q911 WeakPolarHBondContact O-CB 3.14Å; R907-Q911 WeakPolarHBondContact O-CG 3.34Å; R907-Q911 PolarHBondContact O-N 3.14Å
908	L	45.8	Very low	41.2	Very low	95 Å²	95	132.4 Å²	132.4	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-65.7	-39.8	174.2	-79	164.5	0	0	0	111.7	K904 V905 H912	K904-L908 VanDerWaalsContact O-CB 3.31Å; K904-L908 WeakPolarHBondContact O-CB 3.4Å; K904-L908 WeakPolarHBondContact O-CD1 3.32Å; K904-L908 VanDerWaalsContact O-CG 3.23Å; K904-L908 WeakPolarHBondContact O-CG 2.98Å; K904-L908 PolarHBondContact O-N 3.34Å; V905-L908 CarbonylContact O-C 3.58Å; V905-L908 PolarHBondContact O-N 2.8Å; L908-H912 WeakPolarHBondContact O-CB 3.4Å; L908-H912 PolarHBondContact O-N 3.06Å
909	L	42.4	Very low	40	Very low	114 Å²	114	134.8 Å²	134.8	60%	0.597	64%	0.635	S	S	*	*	H	α-helix	trans	-70.8	-33.3	174.8	-102.2	115.6	0	0	0	112.8	V905 K906 H913	V905-L909 HydrophobicContact CG1-CD1 3.8Å; V905-L909 WeakPolarHBondContact O-CB 3.3Å; V905-L909 PolarHBondContact O-N 2.93Å; K906-L909 PolarHBondContact O-N 3.3Å; L909-H913 PolarHBondContact O-N 2.87Å
910	H	43.1	Very low	40.1	Very low	135 Å²	135	133.8 Å²	133.8	63%	0.625	64%	0.643	S	S	*	*	H	α-helix	trans	-75.8	-35.9	172.8	-106.7	28.5	0	0	0	112.9	K906 R907 H913 H914	K906-H910 WeakPolarHBondContact O-CB 3.46Å; K906-H910 PolarHBondContact O-N 2.66Å; R907-H910 PolarHBondContact O-N 3.46Å; H910-H913 PolarHBondContact O-N 2.73Å; H910-H914 PolarHBondContact O-N 2.81Å; H910-H914 VanDerWaalsContact O-N 3.15Å
911	Q	43	Very low	39.2	Very low	131 Å²	131	137.8 Å²	137.8	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-70.8	-31.5	173	-78.8	-178.3	-48.6	0	0	111.7	R907 H913 H914	R907-Q911 VanDerWaalsContact O-CB 3.24Å; R907-Q911 WeakPolarHBondContact O-CB 3.14Å; R907-Q911 WeakPolarHBondContact O-CG 3.34Å; R907-Q911 PolarHBondContact O-N 3.14Å; Q911-H913 PolarHBondContact O-N 2.89Å; Q911-H914 CarbonylContact O-C 3.56Å; Q911-H914 PolarHBondContact O-N 2.9Å
912	H	39.4	Very low	38	Very low	176 Å²	176	143.5 Å²	143.5	82%	0.815	67%	0.67	S	S	*	*	H	α-helix	trans	-67.9	-21	171.8	-113.1	-54.1	0	0	0	113.2	L908	L908-H912 WeakPolarHBondContact O-CB 3.4Å; L908-H912 PolarHBondContact O-N 3.06Å
913	H	36	Very low	37.1	Very low	151 Å²	151	148.6 Å²	148.6	70%	0.699	69%	0.69	S	S	*	*	H	α-helix	trans	-91.9	-13	174.3	-103.9	-60.6	0	0	0	114.5	L909 H910 Q911	L909-H913 PolarHBondContact O-N 2.87Å; H910-H913 PolarHBondContact O-N 2.73Å; Q911-H913 PolarHBondContact O-N 2.89Å
914	H	31.9	Very low	36	Very low	143 Å²	143	155.8 Å²	155.8	66%	0.662	71%	0.711	S	S	*	*	S	Bend	trans	-142.5	117.4	177.4	-77.5	-67.8	0	0	0	112.3	H910 Q911	H910-H914 PolarHBondContact O-N 2.81Å; H910-H914 VanDerWaalsContact O-N 3.15Å; Q911-H914 CarbonylContact O-C 3.56Å; Q911-H914 PolarHBondContact O-N 2.9Å
915	Q	29.2	Very low	34.9	Very low	178 Å²	178	155.5 Å²	155.5	83%	0.832	72%	0.723	S	S	*	*			trans	77.4	97.5	166.7	-64.4	174.3	-31.6	0	0	114.3
916	Q	26.9	Very low	33.5	Very low	184 Å²	184	157.3 Å²	157.3	86%	0.86	74%	0.738	S	S	*	*				24.5	109	73.8	-76.5	-160.7	2.5	0	0	113.8
917	Q	25.5	Very low	32.6	Very low	163 Å²	163	157.3 Å²	157.3	76%	0.762	75%	0.752	S	S	*	*			trans	90.9	119.1	166.1	-57.1	-173.3	-20.3	0	0	118.2
918	H	29	Very low	31.7	Very low	176 Å²	176	152.6 Å²	152.6	82%	0.815	75%	0.754	S	S	*	*			trans	94.8	107.7	157.7	-56.2	-61.2	0	0	0	120.6
919	Q	24.9	Very low	30.7	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	77%	0.771	S	S	*	*			trans	-52	176.6	147.5	-70.8	-177.9	-23.6	0	0	112.6
920	P	44.5	Very low	29.9	Very low	99 Å²	99	153.9 Å²	153.9	64%	0.643	78%	0.781	S	S	*	*			cis	-135.8	175.1	-7.7	28.5	-5.4	0	0	0	114.6
921	N	29	Very low	29.1	Very low	143 Å²	143	157.4 Å²	157.4	77%	0.765	80%	0.795	S	S	*	*				151.9	120.8	118.9	-86.3	-26	0	0	0	116.1
922	Y	24	Very low	28.3	Very low	207 Å²	207	156.3 Å²	156.3	81%	0.812	80%	0.802	S	S	*	*			trans	-16.1	137.4	157.1	-80	-95	0	0	0	119.5
923	Y	27.1	Very low	27.6	Very low	240 Å²	240	155.8 Å²	155.8	94%	0.941	80%	0.804	S	S	*	*				-150.1	128.2	129.9	-103.6	-78.6	0	0	0	111.6
924	R	22.7	Very low	27.2	Very low	229 Å²	229	156.7 Å²	156.7	86%	0.864	81%	0.806	S	S	*	*			trans	-88.1	127.3	-178.8	-174.5	-167.2	-108.1	-170.7	-3.5	108.8
925	T	27.7	Very low	26.9	Very low	144 Å²	144	156.3 Å²	156.3	88%	0.883	81%	0.814	S	S	*	*			trans	-141	129.1	157.8	47.3	0	0	0	0	111.2
926	S	23.3	Very low	26.8	Very low	105 Å²	105	156.4 Å²	156.4	73%	0.734	81%	0.812	S	S	*	*			trans	-84.3	163	-173	45.6	0	0	0	0	113.3
927	S	24.2	Very low	26.7	Very low	113 Å²	113	156 Å²	156	79%	0.79	81%	0.81	S	S	*	*			trans	62.5	101.3	149.9	61.6	0	0	0	0	118.3
928	A	26.5	Very low	26.8	Very low	92 Å²	92	154.5 Å²	154.5	76%	0.76	81%	0.807	S	S	*	*			trans	-157.2	116	133.2	0	0	0	0	0	109.4	S930	A928-S930 PolarHBondContact O-N 3.25Å
929	S	25	Very low	26.6	Very low	121 Å²	121	158 Å²	158	85%	0.846	81%	0.813	S	S	*	*			trans	-36.4	115.9	168.4	48.7	0	0	0	0	113.3
930	S	26.3	Very low	26.6	Very low	115 Å²	115	158.7 Å²	158.7	80%	0.804	81%	0.809	S	S	*	*			trans	-121.3	127.4	163	50.2	0	0	0	0	109	A928	A928-S930 PolarHBondContact O-N 3.25Å
931	F	25.7	Very low	25.7	Very low	209 Å²	209	160.6 Å²	160.6	92%	0.917	81%	0.814	S	S	*	*			trans	-52.8	129.3	-174.7	-80.1	-103.5	0	0	0	111.8	L933	F931-L933 PolarHBondContact O-N 3.44Å
932	S	25.7	Very low	25.9	Very low	109 Å²	109	158.8 Å²	158.8	76%	0.762	81%	0.81	S	S	*	*			trans	-63.9	111.9	176.6	51.4	0	0	0	0	111.2	F934	S932-F934 PolarHBondContact O-N 3.03Å
933	L	25.7	Very low	26.3	Very low	165 Å²	165	155.7 Å²	155.7	86%	0.864	80%	0.798	S	S	*	*			trans	-89.5	82	167.1	-145.6	105.2	0	0	0	108.1	F931	F931-L933 PolarHBondContact O-N 3.44Å
934	F	25.9	Very low	26.4	Very low	169 Å²	169	151.1 Å²	151.1	74%	0.741	79%	0.788	S	S	*	*			trans	-146.5	91.1	176	-81.9	-74.6	0	0	0	112.5	S932 F936	S932-F934 PolarHBondContact O-N 3.03Å; F934-F936 HydrophobicContact CD1-CD2 4.29Å; F934-F936 HydrophobicContact CE1-CD2 4.46Å
935	T	25.6	Very low	26.8	Very low	135 Å²	135	145.7 Å²	145.7	83%	0.828	78%	0.776	S	S	*	*			trans	-135.8	77.5	143.9	34.3	0	0	0	0	106.9	H937	T935-H937 PolarHBondContact O-N 2.82Å; T935-H937 VanDerWaalsContact O-N 3.13Å
936	F	27.3	Very low	27	Very low	180 Å²	180	144.1 Å²	144.1	79%	0.789	76%	0.762	S	S	*	*			trans	-64.3	109.5	159.7	-96.3	-85.8	0	0	0	106.6	F934 N938	F934-F936 HydrophobicContact CD1-CD2 4.29Å; F934-F936 HydrophobicContact CE1-CD2 4.46Å; F936-N938 PolarHBondContact O-N 3.35Å
937	H	25.4	Very low	27.6	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.815	75%	0.745	S	S	*	*			trans	-51.6	116	165.5	-84.7	-82.2	0	0	0	108.3	T935 R939	T935-H937 PolarHBondContact O-N 2.82Å; T935-H937 VanDerWaalsContact O-N 3.13Å; H937-R939 PolarHBondContact O-N 3.18Å; H937-R939 VanDerWaalsContact O-N 3.07Å
938	N	26.4	Very low	27.9	Very low	131 Å²	131	142.6 Å²	142.6	70%	0.701	74%	0.741	S	S	*	*			trans	-48	117	169.9	-79	-32.2	0	0	0	108.5	F936 Y940	F936-N938 PolarHBondContact O-N 3.35Å; N938-Y940 VanDerWaalsContact C-N 3.3Å; N938-Y940 HydrophobicContact CB-CD2 4.46Å; N938-Y940 HydrophobicContact CB-CE2 4.24Å; N938-Y940 WeakPolarHBondContact O-CD2 3.49Å; N938-Y940 PolarHBondContact O-N 3.23Å
939	R	26	Very low	28.2	Very low	249 Å²	249	143.3 Å²	143.3	94%	0.94	73%	0.732	S	S	*	*			trans	-64	93.2	170.2	-74.8	-176.8	-175.2	179.9	1.2	107.7	H937 N941	H937-R939 PolarHBondContact O-N 3.18Å; H937-R939 VanDerWaalsContact O-N 3.07Å; R939-N941 PolarHBondContact O-N 2.8Å
940	Y	24.7	Very low	28.3	Very low	202 Å²	202	145.6 Å²	145.6	79%	0.792	73%	0.729	S	S	*	*			trans	-66.9	116.3	167.6	-80.6	-85.4	0	0	0	108.2	N938 P942	N938-Y940 VanDerWaalsContact C-N 3.3Å; N938-Y940 HydrophobicContact CB-CD2 4.46Å; N938-Y940 HydrophobicContact CB-CE2 4.24Å; N938-Y940 WeakPolarHBondContact O-CD2 3.49Å; N938-Y940 PolarHBondContact O-N 3.23Å; Y940-P942 VanDerWaalsContact O-CD 3.3Å; Y940-P942 WeakPolarHBondContact O-CD 3.37Å
941	N	26.3	Very low	28.5	Very low	139 Å²	139	146.7 Å²	146.7	74%	0.743	73%	0.725	S	S	*	*			trans	-74.9	113.5	171.9	-155.2	16.1	0	0	0	107.1	R939 Y943	R939-N941 PolarHBondContact O-N 2.8Å; N941-Y943 PolarHBondContact O-N 2.86Å
942	P	31.8	Very low	28.6	Very low	104 Å²	104	145.1 Å²	145.1	68%	0.675	72%	0.721	S	S	*	*	S	Bend	trans	-74.7	11.3	-169.9	-13.3	28.1	0	0	0	115	Y940	Y940-P942 VanDerWaalsContact O-CD 3.3Å; Y940-P942 WeakPolarHBondContact O-CD 3.37Å
943	Y	33.6	Very low	28.6	Very low	142 Å²	142	148.1 Å²	148.1	56%	0.557	73%	0.725	S	S	*	*			trans	-134.4	116.9	-174.7	-67.4	-80.5	0	0	0	110.6	N941 D945	N941-Y943 PolarHBondContact O-N 2.86Å; Y943-D945 PolarHBondContact O-N 2.82Å
944	I	28.1	Very low	28.7	Very low	144 Å²	144	148.9 Å²	148.9	74%	0.738	72%	0.721	S	S	*	*			trans	-66.9	114	158.8	-63.3	172	0	0	0	105.4	L946	I944-L946 VanDerWaalsContact C-N 3.31Å; I944-L946 HydrophobicContact CG2-CG 4.42Å; I944-L946 PolarHBondContact O-N 2.76Å
945	D	31.1	Very low	28.7	Very low	115 Å²	115	149.9 Å²	149.9	62%	0.615	73%	0.728	S	S	*	*			trans	-65.1	91.4	172.6	-172.9	-3.3	0	0	0	108.8	Y943 S947	Y943-D945 PolarHBondContact O-N 2.82Å; D945-S947 VanDerWaalsContact CG-OG 3.25Å; D945-S947 PolarHBondContact O-N 3.38Å; D945-S947 VanDerWaalsContact O-N 3.13Å; D945-S947 WeakPolarHBondContact OD1-CB 3.46Å; D945-S947 PolarHBondContact OD1-N 2.7Å; D945-S947 PolarHBondContact OD1-OG 2.87Å; D945-S947 PolarHBondContact OD2-OG 3.33Å
946	L	33.4	Very low	28.7	Very low	111 Å²	111	148.2 Å²	148.2	58%	0.581	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	13.5	177.7	-84.7	155.4	0	0	0	112.9	I944 N948 D949	I944-L946 VanDerWaalsContact C-N 3.31Å; I944-L946 HydrophobicContact CG2-CG 4.42Å; I944-L946 PolarHBondContact O-N 2.76Å; L946-N948 PolarHBondContact O-N 2.8Å; L946-D949 HydrophobicContact CD2-CB 4.13Å
947	S	34.6	Very low	28.7	Very low	56 Å²	56	146.7 Å²	146.7	39%	0.392	72%	0.722	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.1	-24.4	175.5	60.5	0	0	0	0	113.2	D945	D945-S947 VanDerWaalsContact CG-OG 3.25Å; D945-S947 PolarHBondContact O-N 3.38Å; D945-S947 VanDerWaalsContact O-N 3.13Å; D945-S947 WeakPolarHBondContact OD1-CB 3.46Å; D945-S947 PolarHBondContact OD1-N 2.7Å; D945-S947 PolarHBondContact OD1-OG 2.87Å; D945-S947 PolarHBondContact OD2-OG 3.33Å
948	N	31.9	Very low	28.7	Very low	130 Å²	130	143.7 Å²	143.7	70%	0.695	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-24.4	179	-78.8	-21.2	0	0	0	114.6	L946	L946-N948 PolarHBondContact O-N 2.8Å
949	D	31	Very low	28.8	Very low	107 Å²	107	143.7 Å²	143.7	57%	0.572	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-87.1	-8	-177	-66.6	-17.6	0	0	0	113.3	L946 L951	L946-D949 HydrophobicContact CD2-CB 4.13Å; D949-L951 PolarHBondContact O-N 3Å
950	Q	27.7	Very low	29	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.794	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-75.6	-5.6	173.3	-69.9	-144.7	-36	0	0	114.2
951	L	31.8	Very low	29.3	Very low	137 Å²	137	138.4 Å²	138.4	72%	0.717	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-89.2	-7.5	177.4	-106.2	144.3	0	0	0	114.5	D949	D949-L951 PolarHBondContact O-N 3Å
952	E	27.8	Very low	29.4	Very low	176 Å²	176	140.9 Å²	140.9	82%	0.822	72%	0.723	S	S	*	*	S	Bend	trans	-103.6	7.2	-177.4	-80.1	-163	161.3	0	0	116.4
953	M	25	Very low	29.1	Very low	172 Å²	172	146 Å²	146	85%	0.847	73%	0.73	S	S	*	*			trans	-121.4	52.1	175.1	-66.6	-171	178.6	0	0	112.8
954	F	27.4	Very low	28.9	Very low	181 Å²	181	146.4 Å²	146.4	79%	0.794	74%	0.737	S	S	*	*	S	Bend	trans	-87.3	108.8	154.4	-84	-80.4	0	0	0	108.7	S956	F954-S956 PolarHBondContact O-N 3.3Å
955	H	26	Very low	28.9	Very low	190 Å²	190	147.1 Å²	147.1	88%	0.88	74%	0.737	S	S	*	*			trans	-36.4	100.1	175.4	-69.1	-89.9	0	0	0	113.7	N957	H955-N957 PolarHBondContact O-N 3.2Å
956	S	26.2	Very low	28.8	Very low	101 Å²	101	149.4 Å²	149.4	71%	0.706	75%	0.749	S	S	*	*			trans	-79	106.5	158.8	47.6	0	0	0	0	108	F954 C958	F954-S956 PolarHBondContact O-N 3.3Å; S956-C958 PolarHBondContact O-N 3.35Å
957	N	25.8	Very low	28.5	Very low	147 Å²	147	154.8 Å²	154.8	79%	0.786	76%	0.763	S	S	*	*			trans	-69.8	83.3	174	-148.7	10.7	0	0	0	108	H955 N959	H955-N957 PolarHBondContact O-N 3.2Å; N957-N959 PolarHBondContact O-N 3.49Å
958	C	26.4	Very low	28.1	Very low	114 Å²	114	158.3 Å²	158.3	77%	0.77	79%	0.786	S	S	*	*			trans	-75.9	75.7	178.4	-74.1	0	0	0	0	110.2	S956	S956-C958 PolarHBondContact O-N 3.35Å
959	N	28.6	Very low	27.8	Very low	130 Å²	130	160.9 Å²	160.9	70%	0.695	79%	0.794	S	S	*	*			trans	-93.4	138.3	158.9	-84.7	-19.2	0	0	0	108.9	N957	N957-N959 PolarHBondContact O-N 3.49Å
960	I	30.8	Very low	27.6	Very low	161 Å²	161	161.5 Å²	161.5	83%	0.826	81%	0.806	S	S	*	*			trans	99.4	102.7	167.7	-52.2	160.6	0	0	0	114.4	H962	I960-H962 PolarHBondContact O-N 3.04Å
961	H	30.1	Very low	27.6	Very low	179 Å²	179	158.2 Å²	158.2	83%	0.829	80%	0.802	S	S	*	*			trans	-37.3	124.5	157.5	-67.2	-84.9	0	0	0	112.6
962	H	28.4	Very low	27.4	Very low	192 Å²	192	160.5 Å²	160.5	89%	0.889	81%	0.808	S	S	*	*			trans	-161.8	135.7	133.8	-99.4	-64.9	0	0	0	110.9	I960	I960-H962 PolarHBondContact O-N 3.04Å
963	Y	25.6	Very low	27.4	Very low	211 Å²	211	161.1 Å²	161.1	83%	0.827	81%	0.808	S	S	*	*			trans	-65.9	156	178.5	-106.5	-104.6	0	0	0	113.1
964	H	29.4	Very low	27.4	Very low	151 Å²	151	163.9 Å²	163.9	70%	0.699	81%	0.809	S	S	*	*	S	Bend	trans	79.3	103.5	166.3	-76.5	-75.8	0	0	0	119.7
965	Q	27.9	Very low	27.3	Very low	159 Å²	159	160.3 Å²	160.3	74%	0.743	81%	0.807	S	S	*	*			trans	36.9	94.7	135.7	-68	179.1	-20.9	0	0	117.2
966	N	29	Very low	27.2	Very low	162 Å²	162	160 Å²	160	87%	0.866	81%	0.806	S	S	*	*			trans	-148.3	116.4	141.2	-88.2	-42.4	0	0	0	109.5	C968	N966-C968 PolarHBondContact O-N 3.39Å
967	Y	27.7	Very low	27.1	Very low	225 Å²	225	164.1 Å²	164.1	88%	0.882	81%	0.811	S	S	*	*			trans	-65.2	118.4	177	-81.1	-98.3	0	0	0	110	Q969	Y967-Q969 PolarHBondContact O-N 3.43Å
968	C	26.1	Very low	27.1	Very low	129 Å²	129	162.2 Å²	162.2	87%	0.872	81%	0.809	S	S	*	*			trans	-68.8	91.1	171.2	-75.7	0	0	0	0	110.3	N966 C970	N966-C968 PolarHBondContact O-N 3.39Å; C968-C970 PolarHBondContact O-N 3.34Å
969	Q	26.2	Very low	27.1	Very low	185 Å²	185	164.2 Å²	164.2	86%	0.864	81%	0.81	S	S	*	*			trans	-81.9	96.3	172.8	-146.4	175.3	6.4	0	0	108.8	Y967 S971	Y967-Q969 PolarHBondContact O-N 3.43Å; Q969-S971 PolarHBondContact O-N 3.36Å
970	C	26.8	Very low	26.8	Very low	120 Å²	120	165.8 Å²	165.8	81%	0.811	82%	0.819	S	S	*	*			trans	-66.3	91.6	175.5	-77.1	0	0	0	0	111	C968 Q972	C968-C970 PolarHBondContact O-N 3.34Å; C970-Q972 PolarHBondContact O-N 3.06Å
971	S	27.6	Very low	26.6	Very low	101 Å²	101	161 Å²	161	71%	0.706	81%	0.81	S	S	*	*			trans	-70.8	111.5	169.4	70.6	0	0	0	0	110.4	Q969 K973	Q969-S971 PolarHBondContact O-N 3.36Å; S971-K973 PolarHBondContact O-N 3.1Å
972	Q	27.3	Very low	26.3	Very low	184 Å²	184	161.5 Å²	161.5	86%	0.86	81%	0.809	S	S	*	*			trans	-68.9	86.4	172.7	-73.5	-177.7	-14	0	0	110.4	C970 R974	C970-Q972 PolarHBondContact O-N 3.06Å; Q972-R974 PolarHBondContact O-N 3.11Å; Q972-R974 VanDerWaalsContact O-N 3.16Å
973	K	27.1	Very low	26.1	Very low	189 Å²	189	159.6 Å²	159.6	82%	0.822	81%	0.806	S	S	*	*			trans	-78	94.4	163	-81.9	-172.8	177.7	179	0	109.4	S971 S975	S971-K973 PolarHBondContact O-N 3.1Å; K973-S975 PolarHBondContact O-N 2.74Å
974	R	25.2	Very low	26	Very low	231 Å²	231	157.2 Å²	157.2	87%	0.872	80%	0.802	S	S	*	*			trans	-58.4	97	164.2	-90.1	179.4	170.9	168.2	-1.8	109.5	Q972 Q976	Q972-R974 PolarHBondContact O-N 3.11Å; Q972-R974 VanDerWaalsContact O-N 3.16Å; R974-Q976 PolarHBondContact O-N 3.11Å
975	S	24.5	Very low	25.8	Very low	105 Å²	105	155.6 Å²	155.6	73%	0.734	81%	0.807	S	S	*	*			trans	-82.4	95.2	162.9	63.2	0	0	0	0	108.9	K973 K977	K973-S975 PolarHBondContact O-N 2.74Å; S975-K977 PolarHBondContact O-N 2.92Å
976	Q	24.2	Very low	25.7	Very low	184 Å²	184	154.3 Å²	154.3	86%	0.86	81%	0.81	S	S	*	*			trans	-67.3	95.9	163.6	-76.9	177.3	-32.1	0	0	108.5	R974 S978	R974-Q976 PolarHBondContact O-N 3.11Å; Q976-S978 PolarHBondContact O-N 2.88Å
977	K	25.4	Very low	25.4	Very low	188 Å²	188	157.5 Å²	157.5	82%	0.817	81%	0.811	S	S	*	*			trans	-81.5	99.1	162.5	-91.2	-178	173.9	178.5	0	107.9	S975 I979	S975-K977 PolarHBondContact O-N 2.92Å; K977-I979 PolarHBondContact O-N 3.37Å
978	S	25	Very low	25.3	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	81%	0.807	S	S	*	*			trans	-68.1	110.4	163.8	47.1	0	0	0	0	108.8	Q976 N980	Q976-S978 PolarHBondContact O-N 2.88Å; S978-N980 PolarHBondContact O-N 2.06Å
979	I	25.7	Very low	25.2	Very low	156 Å²	156	153.3 Å²	153.3	80%	0.8	81%	0.805	S	S	*	*			trans	-94.8	92.8	170.2	-61.4	175.3	0	0	0	106.5	K977	K977-I979 PolarHBondContact O-N 3.37Å
980	N	23.5	Very low	25.3	Very low	164 Å²	164	151.6 Å²	151.6	88%	0.877	80%	0.802	S	S	*	*			trans	-77.5	110.3	162.9	-88.8	-15.4	0	0	0	108	S978	S978-N980 PolarHBondContact O-N 2.06Å
981	G	26.3	Very low	25.4	Very low	61 Å²	61	153.1 Å²	153.1	63%	0.629	80%	0.802	S	S	*	*			trans	-150.9	70.5	174.5	0	0	0	0	0	110	N983	G981-N983 PolarHBondContact O-N 3.5Å
982	K	22.9	Very low	25.2	Very low	188 Å²	188	158.6 Å²	158.6	82%	0.817	81%	0.813	S	S	*	*			trans	-67.8	105.8	167	-82.6	-179.6	172.8	-177.8	0	108.1
983	N	25.5	Very low	25.2	Very low	153 Å²	153	153.2 Å²	153.2	82%	0.818	81%	0.807	S	S	*	*			trans	-102	97.4	159.8	-75.6	-6.2	0	0	0	107.4	G981 C985	G981-N983 PolarHBondContact O-N 3.5Å; N983-C985 PolarHBondContact O-N 3.09Å
984	E	23.3	Very low	25.1	Very low	160 Å²	160	151.9 Å²	151.9	75%	0.748	81%	0.809	S	S	*	*			trans	-66.8	103.4	172.1	-73	174.4	162.3	0	0	109.3	T986	E984-T986 PolarHBondContact O-N 3.28Å
985	C	24	Very low	25	Very low	118 Å²	118	148.4 Å²	148.4	80%	0.797	81%	0.807	S	S	*	*			trans	-81.9	97.8	165.7	-69.9	0	0	0	0	108.4	N983 Y987	N983-C985 PolarHBondContact O-N 3.09Å; C985-Y987 PolarHBondContact O-N 3.25Å
986	T	25.8	Very low	25	Very low	132 Å²	132	151.6 Å²	151.6	81%	0.81	81%	0.812	S	S	*	*			trans	-59.8	118	175.6	41.5	0	0	0	0	111.8	E984 G988	E984-T986 PolarHBondContact O-N 3.28Å; T986-G988 PolarHBondContact O-N 3.35Å
987	Y	23.5	Very low	24.9	Very low	228 Å²	228	149.9 Å²	149.9	89%	0.894	81%	0.809	S	S	*	*			trans	-70.3	105.2	172.5	-97.6	-98.5	0	0	0	110.9	C985 K989	C985-Y987 PolarHBondContact O-N 3.25Å; Y987-K989 PolarHBondContact O-N 2.84Å
988	G	26.7	Very low	24.8	Very low	78 Å²	78	145 Å²	145	80%	0.804	80%	0.799	S	S	*	*			trans	-74.3	98.6	165.2	0	0	0	0	0	110.4	T986	T986-G988 PolarHBondContact O-N 3.35Å
989	K	23.4	Very low	24.6	Very low	189 Å²	189	148.8 Å²	148.8	82%	0.822	81%	0.805	S	S	*	*			trans	-62.2	129.6	159.4	-73.5	174.2	175.1	174.4	0	108.1	Y987	Y987-K989 PolarHBondContact O-N 2.84Å
990	N	28.1	Very low	24.6	Very low	149 Å²	149	151.8 Å²	151.8	80%	0.797	81%	0.807	S	S	*	*			trans	-162.8	114.7	145	-91.3	-24.1	0	0	0	111.8
991	N	28.6	Very low	24.6	Very low	151 Å²	151	152 Å²	152	81%	0.807	80%	0.803	S	S	*	*			trans	63.6	114.7	139.5	-60.6	-14.2	0	0	0	122.6
992	K	22.9	Very low	24.6	Very low	216 Å²	216	155.6 Å²	155.6	94%	0.939	82%	0.817	S	S	*	*			trans	-33.8	140.7	150.4	-64.9	172.8	172.1	-179.2	0	113.8
993	G	27.1	Very low	24.7	Very low	72 Å²	72	153.8 Å²	153.8	74%	0.742	82%	0.816	S	S	*	*			trans	-176.4	128.3	164.7	0	0	0	0	0	109.9
994	D	26.3	Very low	24.6	Very low	161 Å²	161	153.4 Å²	153.4	86%	0.861	81%	0.814	S	S	*	*			trans	-71.6	158.7	-158	-64.2	-59.6	0	0	0	117.7
995	L	21.9	Very low	24.7	Very low	157 Å²	157	154.5 Å²	154.5	82%	0.822	82%	0.821	S	S	*	*			trans	-0.7	122.1	147.4	-116.1	81.6	0	0	0	116.6
996	M	24.7	Very low	24.7	Very low	173 Å²	173	155.7 Å²	155.7	85%	0.852	82%	0.82	S	S	*	*				178.8	153.9	122.9	-98	-71.1	165.8	0	0	112.8
997	N	22.7	Very low	24.7	Very low	147 Å²	147	155.9 Å²	155.9	79%	0.786	82%	0.821	S	S	*	*			trans	-55.9	160	-169.3	-106.6	-25.3	0	0	0	118.9
998	S	22.7	Very low	24.8	Very low	87 Å²	87	151.8 Å²	151.8	61%	0.608	82%	0.82	S	S	*	*			trans	93.4	114.2	145.7	74	0	0	0	0	120.4
999	Q	22.1	Very low	24.9	Very low	185 Å²	185	152.8 Å²	152.8	86%	0.864	82%	0.821	S	S	*	*			trans	27.7	102.9	138.8	-70	175	-40.4	0	0	117.5
1000	Y	25.1	Very low	25	Very low	219 Å²	219	151.7 Å²	151.7	86%	0.859	82%	0.823	S	S	*	*			trans	-136.9	128.9	150.6	-86	-78.1	0	0	0	113.2
1001	H	24.2	Very low	24.9	Very low	168 Å²	168	151.4 Å²	151.4	78%	0.778	82%	0.822	S	S	*	*			trans	-38.8	127.7	170.4	-80.2	-95.1	0	0	0	113.9	N1003	H1001-N1003 PolarHBondContact O-N 2.89Å
1002	C	24.8	Very low	24.9	Very low	137 Å²	137	151.7 Å²	151.7	93%	0.926	82%	0.823	S	S	*	*			trans	-70.8	96.3	164.9	-73.8	0	0	0	0	109.2
1003	N	25.3	Very low	25.1	Very low	150 Å²	150	147.6 Å²	147.6	80%	0.802	81%	0.812	S	S	*	*			trans	-73.3	135.5	169.4	-86.6	-25	0	0	0	111.1	H1001 M1005	H1001-N1003 PolarHBondContact O-N 2.89Å; N1003-M1005 PolarHBondContact O-N 2.85Å
1004	N	24.2	Very low	25.2	Very low	145 Å²	145	150.7 Å²	150.7	78%	0.775	81%	0.811	S	S	*	*			trans	-42.6	121.6	170.3	-74.7	-30.7	0	0	0	113	N1006	N1004-N1006 PolarHBondContact O-N 3.4Å
1005	M	23.9	Very low	25.4	Very low	182 Å²	182	150.8 Å²	150.8	90%	0.897	81%	0.812	S	S	*	*			trans	-83.5	97.8	158	-83.6	-156.5	165.5	0	0	109.4	N1003 T1007	N1003-M1005 PolarHBondContact O-N 2.85Å; M1005-T1007 PolarHBondContact O-N 3.05Å
1006	N	24.7	Very low	25.5	Very low	143 Å²	143	150.9 Å²	150.9	77%	0.765	81%	0.814	S	S	*	*			trans	-59.8	113.9	163	-77.5	-23.9	0	0	0	109.4	N1004	N1004-N1006 PolarHBondContact O-N 3.4Å
1007	T	27	Very low	25.7	Very low	137 Å²	137	151 Å²	151	84%	0.84	81%	0.812	S	S	*	*			trans	-92.8	103.3	162	33.7	0	0	0	0	108	M1005 A1009	M1005-T1007 PolarHBondContact O-N 3.05Å; T1007-A1009 PolarHBondContact O-N 3.08Å
1008	T	23.8	Very low	25.8	Very low	142 Å²	142	150 Å²	150	87%	0.871	81%	0.811	S	S	*	*			trans	-59.6	110.3	168.6	22.8	0	0	0	0	110
1009	A	28.8	Very low	26.1	Very low	99 Å²	99	152.7 Å²	152.7	82%	0.818	82%	0.824	S	S	*	*			trans	-110.6	116.6	164.8	0	0	0	0	0	108.5	T1007	T1007-A1009 PolarHBondContact O-N 3.08Å
1010	N	26.1	Very low	26.1	Very low	165 Å²	165	153 Å²	153	88%	0.882	82%	0.822	S	S	*	*			trans	-59.6	143.3	-171.6	-101.6	-25	0	0	0	114.4
1011	N	25.3	Very low	26	Very low	143 Å²	143	151.6 Å²	151.6	77%	0.765	82%	0.821	S	S	*	*			trans	-46.6	143.2	161	-82.8	-29	0	0	0	113.2
1012	N	28.7	Very low	26.1	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	82%	0.822	S	S	*	*			trans	-160	101.7	138.3	-95.4	-21	0	0	0	111.8
1013	N	29.1	Very low	26	Very low	131 Å²	131	155.9 Å²	155.9	70%	0.701	82%	0.821	S	S	*	*			trans	30.9	128	136.7	-70.6	-13.2	0	0	0	122.8
1014	N	27.4	Very low	26	Very low	136 Å²	136	155.3 Å²	155.3	73%	0.727	82%	0.818	S	S	*	*				48.6	119.2	128.2	-61.5	-12	0	0	0	119.6
1015	N	30.7	Very low	26	Very low	163 Å²	163	153.9 Å²	153.9	87%	0.872	82%	0.82	S	S	*	*				-163.2	120.3	116	-88.4	-22.2	0	0	0	110.8
1016	N	25.2	Very low	26	Very low	160 Å²	160	153.3 Å²	153.3	86%	0.856	82%	0.82	S	S	*	*			trans	-69.2	135.8	156.8	-74.5	-32.4	0	0	0	108.1
1017	E	27.5	Very low	26	Very low	174 Å²	174	155.6 Å²	155.6	81%	0.813	83%	0.826	S	S	*	*				172.2	111.5	128.7	-95.5	-179.2	179.2	0	0	111.1
1018	T	26.2	Very low	25.8	Very low	127 Å²	127	158.4 Å²	158.4	78%	0.779	83%	0.826	S	S	*	*			trans	21.1	100.1	135.8	40.5	0	0	0	0	119
1019	V	27.7	Very low	25.9	Very low	144 Å²	144	156.5 Å²	156.5	87%	0.873	82%	0.816	S	S	*	*			trans	-128	96.7	145	-178.5	0	0	0	0	108.6
1020	K	23.6	Very low	25.6	Very low	190 Å²	190	159.6 Å²	159.6	83%	0.826	82%	0.819	S	S	*	*			trans	-100.5	85.9	173	-174.8	-171.4	-169.1	-178	0	106.6
1021	F	22.7	Very low	25.6	Very low	190 Å²	190	157.6 Å²	157.6	83%	0.833	81%	0.813	S	S	*	*			trans	-161.7	140.1	159.4	-106.3	-75.5	0	0	0	111.6
1022	L	25	Very low	25.5	Very low	154 Å²	154	157.5 Å²	157.5	81%	0.806	82%	0.818	S	S	*	*			trans	77.9	62.9	169.6	-72.3	146.9	0	0	0	117.9	N1024	L1022-N1024 PolarHBondContact O-N 3.48Å
1023	R	23.7	Very low	25.2	Very low	241 Å²	241	159 Å²	159	91%	0.909	82%	0.822	S	S	*	*			trans	-65.5	94.4	143.5	-163.8	-175.8	-142.1	150.6	2.5	108.1
1024	N	24.3	Very low	25	Very low	138 Å²	138	161.6 Å²	161.6	74%	0.738	83%	0.83	S	S	*	*			trans	168.7	130.8	148.6	-86.7	-11.5	0	0	0	109.6	L1022	L1022-N1024 PolarHBondContact O-N 3.48Å
1025	S	24.3	Very low	24.8	Very low	116 Å²	116	158.3 Å²	158.3	81%	0.811	83%	0.828	S	S	*	*	S	Bend	trans	90.9	88.1	179.7	-45.3	0	0	0	0	115
1026	L	24.8	Very low	24.5	Very low	170 Å²	170	156.3 Å²	156.3	89%	0.89	83%	0.825	S	S	*	*			trans	163.3	66.2	133.7	-84.4	163.1	0	0	0	110.3
1027	E	24.2	Very low	24.6	Very low	191 Å²	191	157.6 Å²	157.6	89%	0.893	82%	0.824	S	S	*	*			trans	-114.9	91.2	159.2	-81.7	-175.5	167.6	0	0	108
1028	K	22.5	Very low	24.3	Very low	195 Å²	195	159.2 Å²	159.2	85%	0.848	82%	0.824	S	S	*	*			trans	-114.5	91.3	160.2	-82	-173.3	176	-178.4	0	107.9
1029	P	26.1	Very low	24.3	Very low	102 Å²	102	161 Å²	161	66%	0.662	82%	0.823	S	S	*	*			trans	-85.2	117.7	165.3	19.9	-6.2	0	0	0	109.2	T1031	P1029-T1031 PolarHBondContact O-N 3.39Å; P1029-T1031 VanDerWaalsContact O-N 3.13Å
1030	N	23.4	Very low	24.1	Very low	164 Å²	164	161.6 Å²	161.6	88%	0.877	82%	0.816	S	S	*	*			trans	-66.4	102.1	171.4	-72.4	-28.2	0	0	0	109.8
1031	T	24.4	Very low	24.2	Very low	123 Å²	123	163.4 Å²	163.4	76%	0.755	82%	0.819	S	S	*	*			trans	-109.9	111.7	168.3	48.2	0	0	0	0	110.3	P1029 M1033	P1029-T1031 PolarHBondContact O-N 3.39Å; P1029-T1031 VanDerWaalsContact O-N 3.13Å; T1031-M1033 PolarHBondContact O-N 3.22Å
1032	T	23.3	Very low	24.4	Very low	142 Å²	142	164.6 Å²	164.6	87%	0.871	82%	0.82	S	S	*	*			trans	-57.5	113	172.3	45.2	0	0	0	0	111.2
1033	M	23.4	Very low	24.6	Very low	189 Å²	189	164.7 Å²	164.7	93%	0.931	82%	0.821	S	S	*	*			trans	-106	110.8	-178.1	-141.1	176.5	-176.2	0	0	109.8	T1031 G1035	T1031-M1033 PolarHBondContact O-N 3.22Å; M1033-G1035 PolarHBondContact O-N 3.31Å
1034	H	23.8	Very low	24.8	Very low	184 Å²	184	160.5 Å²	160.5	85%	0.852	82%	0.817	S	S	*	*			trans	-75.2	112.2	167.2	-83.4	-56.6	0	0	0	108.9	C1036	H1034-C1036 PolarHBondContact O-N 3.11Å
1035	G	24.9	Very low	24.9	Very low	68 Å²	68	160.8 Å²	160.8	70%	0.701	82%	0.818	S	S	*	*			trans	-68.4	118.4	178.8	0	0	0	0	0	112.4	M1033	M1033-G1035 PolarHBondContact O-N 3.31Å
1036	C	24.6	Very low	25	Very low	120 Å²	120	164.5 Å²	164.5	81%	0.811	82%	0.823	S	S	*	*			trans	-83.4	119.4	162.5	-67.1	0	0	0	0	109	H1034 Y1038	H1034-C1036 PolarHBondContact O-N 3.11Å; C1036-Y1038 PolarHBondContact O-N 2.73Å
1037	F	26.1	Very low	25.3	Very low	187 Å²	187	162 Å²	162	82%	0.82	82%	0.816	S	S	*	*			trans	-82.7	108.6	166.3	-75.7	-87.6	0	0	0	109.2
1038	Y	21.9	Very low	25.4	Very low	209 Å²	209	159.6 Å²	159.6	82%	0.82	81%	0.81	S	S	*	*			trans	-96.6	111.7	159.5	-109.3	-94.2	0	0	0	106.9	C1036	C1036-Y1038 PolarHBondContact O-N 2.73Å
1039	H	25.5	Very low	25.5	Very low	163 Å²	163	158 Å²	158	76%	0.755	81%	0.805	S	S	*	*			trans	-100.7	112.1	167.7	-95	-50.3	0	0	0	109
1040	H	23.4	Very low	25.5	Very low	157 Å²	157	159.3 Å²	159.3	73%	0.727	81%	0.812	S	S	*	*			trans	-73.1	128.5	160.9	-89.5	16.5	0	0	0	109	Y1042	H1040-Y1042 PolarHBondContact O-N 2.8Å
1041	Y	26.3	Very low	25.4	Very low	228 Å²	228	156 Å²	156	89%	0.894	80%	0.802	S	S	*	*			trans	-70.3	111.3	166.7	-94.1	-92.4	0	0	0	108.2
1042	Y	27.1	Very low	25.5	Very low	216 Å²	216	157.4 Å²	157.4	85%	0.847	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.8	125.6	164.8	-97	-96.7	0	0	0	108.5	H1040	H1040-Y1042 PolarHBondContact O-N 2.8Å
1043	N	28.9	Very low	25.4	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.9	140.3	163	-80.8	-28.2	0	0	0	108.7	D1045	N1043-D1045 PolarHBondContact O-N 3.3Å
1044	D	27.7	Very low	25.4	Very low	153 Å²	153	157.8 Å²	157.8	82%	0.818	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-55.6	125.8	-179.5	-63.1	-49	0	0	0	112.9
1045	D	25.4	Very low	25.4	Very low	145 Å²	145	155.3 Å²	155.3	78%	0.775	79%	0.789	S	S	*	*			trans	35.9	103.6	141.3	-58.7	-29.9	0	0	0	119.9	N1043	N1043-D1045 PolarHBondContact O-N 3.3Å
1046	Q	27.5	Very low	25.2	Very low	194 Å²	194	157.4 Å²	157.4	91%	0.907	79%	0.793	S	S	*	*				-149.3	128.5	118.1	-82	-146.7	-28	0	0	110.4
1047	P	30.6	Very low	25.1	Very low	116 Å²	116	158.9 Å²	158.9	75%	0.753	79%	0.793	S	S	*	*			trans	-91	141.4	-171	35.6	-32.1	0	0	0	111.9
1048	N	26.4	Very low	24.8	Very low	142 Å²	142	158.5 Å²	158.5	76%	0.759	79%	0.794	S	S	*	*			trans	-165.9	122.1	132.4	-101.8	-4.9	0	0	0	112.2
1049	E	24.8	Very low	24.8	Very low	160 Å²	160	159.7 Å²	159.7	75%	0.748	80%	0.799	S	S	*	*			trans	72.5	114	141.5	-67.4	-176.5	163.2	0	0	121.5
1050	T	25.4	Very low	24.7	Very low	130 Å²	130	157.2 Å²	157.2	80%	0.798	80%	0.8	S	S	*	*			trans	74.2	132.7	142.1	62.7	0	0	0	0	116.9
1051	S	22.6	Very low	24.7	Very low	96 Å²	96	158.1 Å²	158.1	67%	0.671	81%	0.809	S	S	*	*			cis	-177.1	158.7	8.4	41.8	0	0	0	0	108.3
1052	N	24.9	Very low	24.6	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	81%	0.806	S	S	*	*			trans	94.6	78.6	158.6	-56.4	-16.7	0	0	0	118.2
1053	E	22.2	Very low	24.6	Very low	170 Å²	170	149.3 Å²	149.3	79%	0.794	80%	0.804	S	S	*	*				-15.8	134.9	128.6	-61	174.9	146.7	0	0	115.7
1054	I	24.4	Very low	24.5	Very low	170 Å²	170	150.2 Å²	150.2	87%	0.872	81%	0.809	S	S	*	*				-141	124.9	125.6	-62.2	-170.6	0	0	0	108.8
1055	I	22.3	Very low	24.4	Very low	131 Å²	131	152.1 Å²	152.1	67%	0.672	81%	0.813	S	S	*	*			trans	-63.9	133.6	-178.7	-67.3	153.8	0	0	0	112
1056	S	20.3	Very low	24.4	Very low	112 Å²	112	155 Å²	155	78%	0.783	82%	0.822	S	S	*	*			trans	-112.8	124.7	167.1	47.2	0	0	0	0	109.6
1057	N	23.2	Very low	24.2	Very low	151 Å²	151	151.8 Å²	151.8	81%	0.807	82%	0.82	S	S	*	*			trans	-93.4	132.3	174.7	-82.6	-21.8	0	0	0	111
1058	E	20	Very low	23.9	Very low	180 Å²	180	152 Å²	152	84%	0.841	82%	0.824	S	S	*	*			trans	-72.6	146.8	177.1	-63.9	176.6	132.4	0	0	112.9
1059	Y	22	Very low	23.8	Very low	233 Å²	233	152.4 Å²	152.4	91%	0.914	83%	0.832	S	S	*	*			trans	-143.9	134.2	150	-88.8	-78.7	0	0	0	110.9
1060	S	22.7	Very low	23.6	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	84%	0.84	S	S	*	*			trans	-108.6	136.6	-177.1	40.2	0	0	0	0	110.3
1061	L	23.7	Very low	23.4	Very low	177 Å²	177	156.5 Å²	156.5	93%	0.927	84%	0.842	S	S	*	*			trans	-146.6	140.4	174.2	-91.8	166.6	0	0	0	112.2
1062	T	24.4	Very low	23.5	Very low	134 Å²	134	157.6 Å²	157.6	82%	0.822	84%	0.844	S	S	*	*			trans	-90.4	154	-169.4	39.2	0	0	0	0	115
1063	P	27.9	Very low	23.4	Very low	124 Å²	124	157.7 Å²	157.7	81%	0.805	85%	0.845	S	S	*	*			trans	-104.8	146.9	-169.4	35.2	-24	0	0	0	115.2
1064	N	25.5	Very low	23.4	Very low	174 Å²	174	155.7 Å²	155.7	93%	0.93	84%	0.84	S	S	*	*			trans	-110.4	139.2	174.9	-92.5	-22.6	0	0	0	112.5
1065	Q	26	Very low	23.3	Very low	194 Å²	194	154.7 Å²	154.7	91%	0.907	83%	0.834	S	S	*	*			trans	-97.3	138.5	179.4	-66.8	176.9	-15.4	0	0	111.7
1066	Q	24.9	Very low	23.3	Very low	205 Å²	205	155.7 Å²	155.7	96%	0.958	84%	0.836	S	S	*	*			trans	-158.8	127.8	151.8	-108	175.1	12.5	0	0	110.4
1067	S	24.1	Very low	23.2	Very low	126 Å²	126	156.6 Å²	156.6	88%	0.881	83%	0.831	S	S	*	*			trans	-109.8	137.2	-176.3	52.3	0	0	0	0	111
1068	S	24.2	Very low	23.3	Very low	120 Å²	120	159.7 Å²	159.7	84%	0.839	83%	0.833	S	S	*	*			trans	-127.4	123.3	173.7	66.6	0	0	0	0	110.8
1069	T	23.7	Very low	23.4	Very low	151 Å²	151	160.4 Å²	160.4	93%	0.926	83%	0.83	S	S	*	*			trans	-87.3	126.4	178.1	39.5	0	0	0	0	110.9
1070	R	21.6	Very low	23.6	Very low	241 Å²	241	155.5 Å²	155.5	91%	0.909	82%	0.824	S	S	*	*			trans	-124.8	121.5	172.3	-150.9	178.3	-167.3	-178.3	4	109.5
1071	T	21.8	Very low	23.8	Very low	135 Å²	135	155.8 Å²	155.8	83%	0.828	82%	0.821	S	S	*	*			trans	-79.3	123	179.3	35	0	0	0	0	111
1072	T	22.8	Very low	24	Very low	119 Å²	119	153.3 Å²	153.3	73%	0.73	81%	0.809	S	S	*	*			trans	-99.7	111.7	174	44.1	0	0	0	0	110.3	N1074	T1072-N1074 PolarHBondContact O-N 3.48Å
1073	N	22.7	Very low	24.3	Very low	153 Å²	153	155.4 Å²	155.4	82%	0.818	81%	0.81	S	S	*	*			trans	-76.3	109.5	170.5	-75.3	-17.7	0	0	0	109.6	I1075	N1073-I1075 PolarHBondContact O-N 2.9Å
1074	N	23.6	Very low	24.5	Very low	128 Å²	128	157.5 Å²	157.5	68%	0.684	81%	0.808	S	S	*	*			trans	-82.7	102.5	176.6	-69.6	-17.7	0	0	0	110.3	T1072	T1072-N1074 PolarHBondContact O-N 3.48Å
1075	I	21.1	Very low	24.8	Very low	149 Å²	149	153.9 Å²	153.9	76%	0.764	79%	0.788	S	S	*	*			trans	-83.4	113.2	168.1	-61.8	173.2	0	0	0	107.5	N1073 L1077	N1073-I1075 PolarHBondContact O-N 2.9Å; I1075-L1077 PolarHBondContact O-N 3.35Å
1076	H	22.3	Very low	25	Very low	153 Å²	153	148.5 Å²	148.5	71%	0.708	77%	0.765	S	S	*	*			trans	-80.7	104.6	176.1	-81	-96.4	0	0	0	110.2
1077	L	19.7	Very low	25.7	Very low	130 Å²	130	142 Å²	142	68%	0.681	74%	0.743	S	S	*	*			trans	-86.8	117.2	167.1	-83.3	151.9	0	0	0	109.2	I1075 Y1079	I1075-L1077 PolarHBondContact O-N 3.35Å; L1077-Y1079 HydrophobicContact CB-CD2 4.34Å; L1077-Y1079 HydrophobicContact CB-CE2 3.88Å; L1077-Y1079 PolarHBondContact O-N 3.01Å
1078	Y	24	Very low	26.3	Very low	217 Å²	217	140.7 Å²	140.7	85%	0.851	72%	0.724	S	S	*	*			trans	-78.7	111.7	174	-67.4	-92	0	0	0	109
1079	Y	23.2	Very low	26.7	Very low	195 Å²	195	136.7 Å²	136.7	77%	0.765	69%	0.694	S	S	*	*			trans	-98.9	125.9	171.4	-77.2	-84.8	0	0	0	110.2	L1077 T1081	L1077-Y1079 HydrophobicContact CB-CD2 4.34Å; L1077-Y1079 HydrophobicContact CB-CE2 3.88Å; L1077-Y1079 PolarHBondContact O-N 3.01Å; Y1079-T1081 PolarHBondContact O-N 2.77Å
1080	T	25.1	Very low	27.2	Very low	129 Å²	129	135.4 Å²	135.4	79%	0.791	68%	0.681	S	S	*	*			trans	-77.4	111	171.9	49.3	0	0	0	0	109.4	D1082	T1080-D1082 PolarHBondContact O-N 3.18Å; T1080-D1082 VanDerWaalsContact O-N 3.12Å
1081	T	26.7	Very low	27.9	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	67%	0.668	S	S	*	*			trans	-79.1	79.1	-179.4	49.4	0	0	0	0	111.4	Y1079	Y1079-T1081 PolarHBondContact O-N 2.77Å
1082	D	29.3	Very low	28.7	Very low	126 Å²	126	125.4 Å²	125.4	67%	0.674	65%	0.646	S	S	*	*			trans	-122.1	-2.8	178.3	-84.2	-29.6	0	0	0	115.8	T1080	T1080-D1082 PolarHBondContact O-N 3.18Å; T1080-D1082 VanDerWaalsContact O-N 3.12Å
1083	Q	30.8	Very low	29.1	Very low	178 Å²	178	126 Å²	126	83%	0.832	64%	0.639	S	S	*	*	S	Bend	trans	-101.1	-16.6	-173.9	-77.1	-170.7	-22.4	0	0	117.6
1084	H	30.5	Very low	29.7	Very low	168 Å²	168	122.9 Å²	122.9	78%	0.778	63%	0.629	S	S	*	*	S	Bend	trans	-110.7	-4	-177.8	-80.1	-75.3	0	0	0	116.2	N1086	H1084-N1086 VanDerWaalsContact C-N 3.32Å
1085	I	31.8	Very low	30.1	Very low	97 Å²	97	126.5 Å²	126.5	50%	0.497	63%	0.633	S	S	.	*	H	α-helix	trans	-74.4	-25.7	173.7	-66.1	174.2	0	0	0	111.1	S1087 I1088 D1089	I1085-S1087 VanDerWaalsContact C-N 3.3Å; I1085-S1087 PolarHBondContact O-N 3.48Å; I1085-S1087 VanDerWaalsContact O-N 3.13Å; I1085-I1088 PolarHBondContact O-N 3.49Å; I1085-D1089 HydrophobicContact CG2-CB 4.26Å; I1085-D1089 WeakPolarHBondContact O-CB 3.47Å; I1085-D1089 PolarHBondContact O-N 3.49Å
1086	N	31.2	Very low	30.3	Very low	82 Å²	82	126.3 Å²	126.3	44%	0.439	63%	0.629	S	S	.	*	H	α-helix	trans	-64.5	-20.5	-172.2	-75.1	-28.1	0	0	0	116	H1084 N1090	H1084-N1086 VanDerWaalsContact C-N 3.32Å; N1086-N1090 WeakPolarHBondContact O-CB 3.3Å; N1086-N1090 VanDerWaalsContact O-CG 3.28Å; N1086-N1090 PolarHBondContact O-N 3.36Å; N1086-N1090 VanDerWaalsContact O-N 3.09Å; N1086-N1090 PolarHBondContact O-ND2 3.1Å
1087	S	39.3	Very low	30.6	Very low	69 Å²	69	126.8 Å²	126.8	48%	0.483	64%	0.635	S	S	.	*	H	α-helix	trans	-74.8	-46.5	174.5	143.6	0	0	0	0	111.3	I1085 D1089 N1090	I1085-S1087 VanDerWaalsContact C-N 3.3Å; I1085-S1087 PolarHBondContact O-N 3.48Å; I1085-S1087 VanDerWaalsContact O-N 3.13Å; S1087-D1089 VanDerWaalsContact C-N 3.32Å; S1087-N1090 PolarHBondContact O-N 3Å
1088	I	37.5	Very low	30.9	Very low	97 Å²	97	128.9 Å²	128.9	50%	0.497	64%	0.638	S	S	.	*	H	α-helix	trans	-69.1	-37.6	175.7	-63.8	174.5	0	0	0	109.8	I1085 N1090 C1091 I1092	I1085-I1088 PolarHBondContact O-N 3.49Å; I1088-N1090 VanDerWaalsContact C-N 3.33Å; I1088-N1090 PolarHBondContact O-N 3.03Å; I1088-C1091 PolarHBondContact O-N 3.31Å; I1088-I1092 HydrophobicContact CG2-CD1 3.51Å; I1088-I1092 HydrophobicContact CG2-CG1 4.26Å; I1088-I1092 WeakPolarHBondContact O-CB 3.45Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.46Å; I1088-I1092 PolarHBondContact O-N 2.98Å
1089	D	32	Very low	31	Very low	36 Å²	36	125 Å²	125	19%	0.193	64%	0.637	C	S	.	*	H	α-helix	trans	-68.3	-26.1	177.8	-115.9	-3.9	0	0	0	113.1	I1085 S1087 I1092 K1093	I1085-D1089 HydrophobicContact CG2-CB 4.26Å; I1085-D1089 WeakPolarHBondContact O-CB 3.47Å; I1085-D1089 PolarHBondContact O-N 3.49Å; S1087-D1089 VanDerWaalsContact C-N 3.32Å; D1089-I1092 PolarHBondContact O-N 3.43Å; D1089-K1093 HydrophobicContact CB-CD 3.99Å; D1089-K1093 HydrophobicContact CB-CG 4.26Å; D1089-K1093 VanDerWaalsContact CG-CE 3.45Å; D1089-K1093 WeakPolarHBondContact O-CA 3.19Å; D1089-K1093 WeakPolarHBondContact O-CB 3.2Å; D1089-K1093 VanDerWaalsContact O-CG 3.27Å; D1089-K1093 WeakPolarHBondContact O-CG 3.39Å; D1089-K1093 PolarHBondContact O-N 3.44Å; D1089-K1093 WeakPolarHBondContact OD2-CE 3.34Å; D1089-K1093 IonicContact OD2-NZ 2.66Å; D1089-K1093 PolarHBondContact OD2-NZ 3.1Å
1090	N	34	Very low	31.1	Very low	124 Å²	124	122.8 Å²	122.8	66%	0.663	64%	0.638	S	S	*	*	H	α-helix	trans	-71.9	-31.8	176.2	-82.5	-15.8	0	0	0	112.5	N1086 S1087 I1088	N1086-N1090 WeakPolarHBondContact O-CB 3.3Å; N1086-N1090 VanDerWaalsContact O-CG 3.28Å; N1086-N1090 PolarHBondContact O-N 3.36Å; N1086-N1090 VanDerWaalsContact O-N 3.09Å; N1086-N1090 PolarHBondContact O-ND2 3.1Å; S1087-N1090 PolarHBondContact O-N 3Å; I1088-N1090 VanDerWaalsContact C-N 3.33Å; I1088-N1090 PolarHBondContact O-N 3.03Å
1091	C	37.4	Very low	31.2	Very low	93 Å²	93	122.3 Å²	122.3	63%	0.628	64%	0.637	S	S	*	*	H	α-helix	trans	-74.3	-37.3	169.9	-86.2	0	0	0	0	111.9	I1088 S1094	I1088-C1091 PolarHBondContact O-N 3.31Å; C1091-S1094 PolarHBondContact O-OG 3.08Å; C1091-S1094 VanDerWaalsContact O-OG 3.08Å
1092	I	37.6	Very low	31.1	Very low	74 Å²	74	125.2 Å²	125.2	38%	0.379	65%	0.648	S	S	.	*	H	α-helix	trans	-82	-38.5	-176.1	-66.5	-179	0	0	0	113.2	I1088 D1089 S1094 R1095 H1096	I1088-I1092 HydrophobicContact CG2-CD1 3.51Å; I1088-I1092 HydrophobicContact CG2-CG1 4.26Å; I1088-I1092 WeakPolarHBondContact O-CB 3.45Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.46Å; I1088-I1092 PolarHBondContact O-N 2.98Å; D1089-I1092 PolarHBondContact O-N 3.43Å; I1092-S1094 PolarHBondContact O-N 3.03Å; I1092-R1095 PolarHBondContact O-N 3.32Å; I1092-H1096 VanDerWaalsContact CG2-CD2 3.42Å; I1092-H1096 WeakPolarHBondContact CG2-CD2 3.41Å
1093	K	31.1	Very low	30.7	Very low	130 Å²	130	126.4 Å²	126.4	57%	0.565	65%	0.652	S	S	*	*	H	α-helix	trans	-70.8	-15.6	179.7	-74.8	175.3	165.8	152.6	0	113.8	D1089 R1095	D1089-K1093 HydrophobicContact CB-CD 3.99Å; D1089-K1093 HydrophobicContact CB-CG 4.26Å; D1089-K1093 VanDerWaalsContact CG-CE 3.45Å; D1089-K1093 WeakPolarHBondContact O-CA 3.19Å; D1089-K1093 WeakPolarHBondContact O-CB 3.2Å; D1089-K1093 VanDerWaalsContact O-CG 3.27Å; D1089-K1093 WeakPolarHBondContact O-CG 3.39Å; D1089-K1093 PolarHBondContact O-N 3.44Å; D1089-K1093 WeakPolarHBondContact OD2-CE 3.34Å; D1089-K1093 IonicContact OD2-NZ 2.66Å; D1089-K1093 PolarHBondContact OD2-NZ 3.1Å; K1093-R1095 PolarHBondContact O-N 2.89Å
1094	S	35.6	Very low	30.3	Very low	89 Å²	89	122.6 Å²	122.6	62%	0.622	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-8.3	167.4	74.2	0	0	0	0	113.1	C1091 I1092	C1091-S1094 PolarHBondContact O-OG 3.08Å; C1091-S1094 VanDerWaalsContact O-OG 3.08Å; I1092-S1094 PolarHBondContact O-N 3.03Å
1095	R	31	Very low	29.8	Very low	203 Å²	203	120.6 Å²	120.6	77%	0.766	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.5	31.8	-173.2	-65.3	-168.7	-179.1	-170.4	0.9	117	I1092 K1093	I1092-R1095 PolarHBondContact O-N 3.32Å; K1093-R1095 PolarHBondContact O-N 2.89Å
1096	H	26.9	Very low	29.3	Very low	145 Å²	145	123.1 Å²	123.1	67%	0.671	67%	0.665	S	S	*	*			trans	-122.2	117.3	169.7	-84.9	-75.5	0	0	0	113.5	I1092	I1092-H1096 VanDerWaalsContact CG2-CD2 3.42Å; I1092-H1096 WeakPolarHBondContact CG2-CD2 3.41Å
1097	I	29	Very low	28.8	Very low	163 Å²	163	125 Å²	125	84%	0.836	68%	0.68	S	S	*	*			trans	-137	116.7	157.4	-58.9	-178.1	0	0	0	111.3
1098	K	25.6	Very low	27.9	Very low	174 Å²	174	128.7 Å²	128.7	76%	0.757	69%	0.692	S	S	*	*			trans	27.4	114.9	157.8	-73.9	-177.7	170.4	-172.4	0	120.8
1099	V	24.8	Very low	27.2	Very low	136 Å²	136	128.9 Å²	128.9	82%	0.824	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-97.5	131.5	171.8	179.4	0	0	0	0	110.2
1100	N	25.5	Very low	26.7	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-87.9	130.8	167.1	-78.3	-17.4	0	0	0	109.9
1101	P	27.4	Very low	26.1	Very low	119 Å²	119	137.1 Å²	137.1	77%	0.773	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-70.9	138.1	-176.5	26.8	-32.4	0	0	0	113
1102	L	24.6	Very low	25.4	Very low	178 Å²	178	139.5 Å²	139.5	93%	0.932	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77.7	141.3	-178.7	-92.8	127.7	0	0	0	112.8
1103	I	21.9	Very low	24.8	Very low	151 Å²	151	141 Å²	141	77%	0.774	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-76.5	124.8	-178	-64.2	164.9	0	0	0	110.4	V1105	I1103-V1105 HydrophobicContact CG2-CG2 4.5Å
1104	A	21.5	Very low	24.5	Very low	99 Å²	99	143.3 Å²	143.3	82%	0.818	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-80.1	118.8	168	0	0	0	0	0	109.8
1105	V	20.8	Very low	23.9	Very low	126 Å²	126	146.6 Å²	146.6	76%	0.764	78%	0.784	S	S	*	*			trans	-92.1	108	177.6	-179.4	0	0	0	0	108.5	I1103 V1107	I1103-V1105 HydrophobicContact CG2-CG2 4.5Å; V1105-V1107 HydrophobicContact CG1-CG2 4.19Å
1106	N	20.6	Very low	23.6	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	79%	0.787	S	S	*	*			trans	-91	123.4	171.4	-157.4	9.1	0	0	0	108.9
1107	V	21.8	Very low	23.3	Very low	123 Å²	123	148.1 Å²	148.1	75%	0.745	80%	0.796	S	S	*	*			trans	-102.8	111	-177	179.1	0	0	0	0	108.5	V1105	V1105-V1107 HydrophobicContact CG1-CG2 4.19Å
1108	I	20.4	Very low	23.1	Very low	145 Å²	145	149.4 Å²	149.4	74%	0.744	80%	0.796	S	S	*	*			trans	-92.4	119.3	174.7	-60.6	171.1	0	0	0	107.8
1109	S	22	Very low	23	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	79%	0.794	S	S	*	*			trans	-90.6	114.2	177	56.3	0	0	0	0	110.8
1110	E	20.8	Very low	22.9	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	79%	0.791	S	S	*	*			trans	-91.6	121.6	171.8	-71.8	-175.7	167.2	0	0	110.7	L1112	E1110-L1112 PolarHBondContact O-N 2.77Å
1111	N	21.9	Very low	22.8	Very low	162 Å²	162	147.5 Å²	147.5	87%	0.866	79%	0.794	S	S	*	*			trans	-81.6	109.6	173.2	-79.2	-32.5	0	0	0	109.8
1112	L	22	Very low	22.6	Very low	143 Å²	143	147.1 Å²	147.1	75%	0.749	79%	0.794	S	S	*	*			trans	-99.1	121.8	170.8	-89.1	152.1	0	0	0	110.4	E1110	E1110-L1112 PolarHBondContact O-N 2.77Å
1113	P	26.2	Very low	22.6	Very low	106 Å²	106	145.4 Å²	145.4	69%	0.688	79%	0.791	S	S	*	*			trans	-94.9	124.8	177.3	33.7	-26.8	0	0	0	110.5
1114	H	24.8	Very low	22.6	Very low	179 Å²	179	145.4 Å²	145.4	83%	0.829	79%	0.791	S	S	*	*			trans	-136.5	108.2	163.1	-83.8	-60.5	0	0	0	111.9
1115	N	22.1	Very low	22.8	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	79%	0.792	S	S	*	*			trans	-53.1	129.9	162.5	-76.6	-34.5	0	0	0	110.7
1116	N	25.8	Very low	22.9	Very low	153 Å²	153	147 Å²	147	82%	0.818	79%	0.788	S	S	*	*			trans	-146.8	111.6	146	-96.1	-22	0	0	0	109.4
1117	R	20.8	Very low	23	Very low	227 Å²	227	144.9 Å²	144.9	86%	0.857	78%	0.784	S	S	*	*			trans	-98	108.9	-178.8	-166.4	-176.8	-161.3	176.3	4.7	106.4
1118	F	23.8	Very low	23.2	Very low	190 Å²	190	147 Å²	147	83%	0.833	79%	0.791	S	S	*	*			trans	-121.1	123.1	167.4	-85.1	-79.7	0	0	0	109.6
1119	I	23.4	Very low	23.4	Very low	140 Å²	140	144.7 Å²	144.7	72%	0.718	79%	0.793	S	S	*	*			trans	-82.3	137.3	-172	-67.1	168.4	0	0	0	108.8
1120	P	22.6	Very low	23.5	Very low	117 Å²	117	145.5 Å²	145.5	76%	0.76	80%	0.799	S	S	*	*			trans	-84.2	128.1	-175.5	32.6	-31.2	0	0	0	111.2
1121	N	24.5	Very low	23.7	Very low	162 Å²	162	144 Å²	144	87%	0.866	80%	0.801	S	S	*	*			trans	-96.4	109.7	163.5	-85.2	-9.3	0	0	0	109.1
1122	S	22.4	Very low	23.9	Very low	110 Å²	110	142.1 Å²	142.1	77%	0.769	80%	0.796	S	S	*	*			trans	-74.7	125.5	167.4	52.4	0	0	0	0	110.1
1123	T	24.9	Very low	24	Very low	142 Å²	142	141.5 Å²	141.5	87%	0.871	80%	0.802	S	S	*	*			trans	-140.7	115.3	153.6	10.9	0	0	0	0	109.7
1124	I	22.4	Very low	24	Very low	151 Å²	151	143.7 Å²	143.7	77%	0.774	81%	0.807	S	S	*	*			trans	-50	144.4	169.9	-63.3	153.4	0	0	0	109.7
1125	I	24	Very low	24	Very low	163 Å²	163	141.2 Å²	141.2	84%	0.836	81%	0.81	S	S	*	*				-177	144	127	-86.9	151.3	0	0	0	110.6
1126	S	23.3	Very low	24.3	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	80%	0.804	S	S	*	*			trans	-54	150.4	-165.4	46.6	0	0	0	0	120
1127	S	24.1	Very low	24.2	Very low	103 Å²	103	139.7 Å²	139.7	72%	0.72	81%	0.809	S	S	*	*			trans	-38.9	142.7	157.3	53.6	0	0	0	0	117.6
1128	L	24.4	Very low	24.3	Very low	169 Å²	169	137.6 Å²	137.6	89%	0.885	81%	0.809	S	S	*	*			trans	-164	98.6	140.1	-98.8	129.1	0	0	0	106.8
1129	A	25.5	Very low	24.4	Very low	96 Å²	96	135.1 Å²	135.1	79%	0.793	81%	0.81	S	S	*	*				71.9	88.6	97.5	0	0	0	0	0	112.4
1130	S	24.5	Very low	24.5	Very low	119 Å²	119	133.7 Å²	133.7	83%	0.832	81%	0.812	S	S	*	*			trans	-116.9	118.4	163.5	53.7	0	0	0	0	110
1131	T	25.3	Very low	24.7	Very low	138 Å²	138	134.6 Å²	134.6	85%	0.847	82%	0.816	S	S	*	*			trans	-65.6	118.8	-177	36.4	0	0	0	0	112.5
1132	T	26	Very low	24.7	Very low	122 Å²	122	133.7 Å²	133.7	75%	0.748	82%	0.816	S	S	*	*			trans	-86.3	114	163.4	45.5	0	0	0	0	109.8	L1134	T1132-L1134 PolarHBondContact O-N 2.84Å
1133	C	24.1	Very low	25	Very low	131 Å²	131	134.5 Å²	134.5	89%	0.885	82%	0.817	S	S	*	*			trans	-72.6	106	167.3	-71.3	0	0	0	0	109.9
1134	L	24.9	Very low	25.1	Very low	152 Å²	152	137.8 Å²	137.8	80%	0.796	82%	0.819	S	S	*	*			trans	-99.7	118.7	160.6	-94.1	109.8	0	0	0	108.8	T1132 S1136	T1132-L1134 PolarHBondContact O-N 2.84Å; L1134-S1136 PolarHBondContact O-N 2.9Å
1135	S	26.1	Very low	25.3	Very low	127 Å²	127	137 Å²	137	89%	0.888	82%	0.821	S	S	*	*			trans	-82	97.2	163.8	42.1	0	0	0	0	108.9
1136	S	26.9	Very low	25.5	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-85.4	123.1	172.8	57.6	0	0	0	0	110.9	L1134 Q1138	L1134-S1136 PolarHBondContact O-N 2.9Å; S1136-Q1138 PolarHBondContact O-N 3.12Å
1137	L	24.2	Very low	25.6	Very low	178 Å²	178	136.2 Å²	136.2	93%	0.932	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74	119.8	165.7	-130.2	82.8	0	0	0	108.8
1138	Q	23.9	Very low	25.6	Very low	182 Å²	182	138.4 Å²	138.4	85%	0.85	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71.8	128.2	-178.1	-71.5	170.4	-40.6	0	0	111.5	S1136	S1136-Q1138 PolarHBondContact O-N 3.12Å
1139	T	25.9	Very low	25.6	Very low	139 Å²	139	134.7 Å²	134.7	85%	0.853	82%	0.818	S	S	*	*			trans	-125.9	112	150.8	44.8	0	0	0	0	107.8
1140	S	23.9	Very low	25.6	Very low	109 Å²	109	136 Å²	136	76%	0.762	82%	0.816	S	S	*	*			trans	-80.2	118	-174	49.6	0	0	0	0	111.1
1141	T	27.3	Very low	25.6	Very low	137 Å²	137	135.8 Å²	135.8	84%	0.84	81%	0.81	S	S	*	*			trans	-135.3	112.3	152.6	39.3	0	0	0	0	109.1
1142	T	24.7	Very low	25.4	Very low	142 Å²	142	137.9 Å²	137.9	87%	0.871	81%	0.812	S	S	*	*			trans	-76.6	112.9	-176.8	29.4	0	0	0	0	110.5
1143	T	29.3	Very low	25.3	Very low	128 Å²	128	137.9 Å²	137.9	79%	0.785	81%	0.808	S	S	*	*			trans	-128.9	118.1	160	46.2	0	0	0	0	109.4	T1145	T1143-T1145 PolarHBondContact O-N 2.89Å
1144	K	27.1	Very low	25.2	Very low	211 Å²	211	140.4 Å²	140.4	92%	0.917	81%	0.809	S	S	*	*			trans	-67.2	108.3	-177	-70.8	172.6	174.2	176.7	0	109.8
1145	T	26.9	Very low	25.3	Very low	133 Å²	133	142 Å²	142	82%	0.816	81%	0.809	S	S	*	*			trans	-103.8	104.5	164	47	0	0	0	0	109.5	T1143	T1143-T1145 PolarHBondContact O-N 2.89Å
1146	T	27.5	Very low	25.3	Very low	119 Å²	119	140 Å²	140	73%	0.73	80%	0.801	S	S	*	*			trans	-68.9	133.7	167.3	43.4	0	0	0	0	110.1	I1148	T1146-I1148 PolarHBondContact O-N 3.45Å
1147	P	24.7	Very low	25.1	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	81%	0.806	S	S	*	*			trans	-80.7	116.3	-175.9	32.1	-30.8	0	0	0	110.1	A1149	P1147-A1149 PolarHBondContact O-N 2.95Å
1148	I	25.6	Very low	25.2	Very low	148 Å²	148	137.9 Å²	137.9	76%	0.759	80%	0.796	S	S	*	*			trans	-89.1	103.9	167.5	-62.2	174.9	0	0	0	106.7	T1146 V1150	T1146-I1148 PolarHBondContact O-N 3.45Å; I1148-V1150 HydrophobicContact CG2-CG2 4.05Å; I1148-V1150 PolarHBondContact O-N 2.94Å; I1148-V1150 VanDerWaalsContact O-N 3.15Å
1149	A	23.4	Very low	25.2	Very low	92 Å²	92	135.8 Å²	135.8	76%	0.76	80%	0.796	S	S	*	*			trans	-65.5	104.1	168	0	0	0	0	0	108.8	P1147	P1147-A1149 PolarHBondContact O-N 2.95Å
1150	V	24.8	Very low	25.1	Very low	124 Å²	124	134.5 Å²	134.5	75%	0.752	79%	0.788	S	S	*	*			trans	-92.5	101.9	168	-178	0	0	0	0	107.2	I1148 M1152	I1148-V1150 HydrophobicContact CG2-CG2 4.05Å; I1148-V1150 PolarHBondContact O-N 2.94Å; I1148-V1150 VanDerWaalsContact O-N 3.15Å; V1150-M1152 PolarHBondContact O-N 3.08Å
1151	T	24.9	Very low	25.1	Very low	113 Å²	113	136 Å²	136	69%	0.693	79%	0.793	S	S	*	*			trans	-57.5	118.9	172.2	31.9	0	0	0	0	110.4	N1153	T1151-N1153 PolarHBondContact O-N 3.32Å
1152	M	20.9	Very low	24.9	Very low	183 Å²	183	134.3 Å²	134.3	90%	0.901	78%	0.782	S	S	*	*			trans	-67.9	94.3	168.6	-76.5	-176.6	80.6	0	0	109.1	V1150 M1154	V1150-M1152 PolarHBondContact O-N 3.08Å; M1152-M1154 PolarHBondContact O-N 2.95Å
1153	N	25.5	Very low	24.8	Very low	122 Å²	122	136.4 Å²	136.4	65%	0.652	78%	0.782	S	S	*	*			trans	-76.6	103.3	164.8	-79.4	-14	0	0	0	108.8	T1151 F1155	T1151-N1153 PolarHBondContact O-N 3.32Å; N1153-F1155 HydrophobicContact CB-CD2 3.97Å; N1153-F1155 HydrophobicContact CB-CE2 3.88Å; N1153-F1155 PolarHBondContact O-N 3.27Å; N1153-F1155 VanDerWaalsContact O-N 3.11Å
1154	M	21.6	Very low	24.5	Very low	183 Å²	183	139.3 Å²	139.3	90%	0.901	78%	0.784	S	S	*	*			trans	-57.5	105.7	161.5	-73.1	176.6	126.4	0	0	108.7	M1152	M1152-M1154 PolarHBondContact O-N 2.95Å
1155	F	25.8	Very low	24.4	Very low	185 Å²	185	135.1 Å²	135.1	81%	0.811	78%	0.777	S	S	*	*			trans	-111.7	121	162	-83.7	-76.5	0	0	0	109.4	N1153	N1153-F1155 HydrophobicContact CB-CD2 3.97Å; N1153-F1155 HydrophobicContact CB-CE2 3.88Å; N1153-F1155 PolarHBondContact O-N 3.27Å; N1153-F1155 VanDerWaalsContact O-N 3.11Å
1156	A	26.3	Very low	24.2	Very low	86 Å²	86	134.3 Å²	134.3	71%	0.711	78%	0.777	S	S	*	*			trans	-57.5	140.2	-177.3	0	0	0	0	0	111.9	T1158	A1156-T1158 PolarHBondContact O-N 3.28Å
1157	S	23.4	Very low	24	Very low	117 Å²	117	134.8 Å²	134.8	82%	0.818	78%	0.779	S	S	*	*			trans	-50.9	100.6	169.9	52.3	0	0	0	0	111.2
1158	T	25.7	Very low	24.1	Very low	117 Å²	117	133.7 Å²	133.7	72%	0.718	77%	0.774	S	S	*	*			trans	-99.6	97.4	161.2	39.7	0	0	0	0	107.4	A1156 T1160	A1156-T1158 PolarHBondContact O-N 3.28Å; T1158-T1160 VanDerWaalsContact C-N 3.28Å; T1158-T1160 PolarHBondContact O-N 3.2Å; T1158-T1160 PolarHBondContact O-OG1 3.02Å
1159	T	23.5	Very low	23.9	Very low	138 Å²	138	132.4 Å²	132.4	85%	0.847	78%	0.777	S	S	*	*			trans	-55.6	92.7	163.7	35.3	0	0	0	0	108.9
1160	T	24.5	Very low	24	Very low	112 Å²	112	133.7 Å²	133.7	69%	0.687	78%	0.779	S	S	*	*			trans	-95.5	96.8	167.7	28.1	0	0	0	0	107.6	T1158 T1162	T1158-T1160 VanDerWaalsContact C-N 3.28Å; T1158-T1160 PolarHBondContact O-N 3.2Å; T1158-T1160 PolarHBondContact O-OG1 3.02Å; T1160-T1162 VanDerWaalsContact C-N 3.32Å; T1160-T1162 PolarHBondContact O-N 3.31Å
1161	T	24	Very low	24.1	Very low	140 Å²	140	134.4 Å²	134.4	86%	0.859	78%	0.784	S	S	*	*			trans	-60	92.6	165.5	18.2	0	0	0	0	108.8	Q1163	T1161-Q1163 PolarHBondContact O-N 3.32Å
1162	T	22.9	Very low	24.4	Very low	101 Å²	101	134.8 Å²	134.8	62%	0.62	79%	0.788	S	S	*	*			trans	-86.6	99.7	172	32	0	0	0	0	108.7	T1160 F1164	T1160-T1162 VanDerWaalsContact C-N 3.32Å; T1160-T1162 PolarHBondContact O-N 3.31Å; T1162-F1164 PolarHBondContact O-N 3.15Å
1163	Q	23.4	Very low	24.7	Very low	187 Å²	187	133.6 Å²	133.6	87%	0.874	78%	0.784	S	S	*	*			trans	-69.8	104.7	166.8	-80.1	-179.1	-28.5	0	0	108.7	T1161 T1165	T1161-Q1163 PolarHBondContact O-N 3.32Å; Q1163-T1165 PolarHBondContact O-N 3.2Å
1164	F	22.2	Very low	24.7	Very low	189 Å²	189	136 Å²	136	83%	0.829	79%	0.792	S	S	*	*			trans	-74.7	102.7	170	-80.7	-90.2	0	0	0	109.4	T1162 S1166	T1162-F1164 PolarHBondContact O-N 3.15Å; F1164-S1166 PolarHBondContact O-N 3.1Å
1165	T	25	Very low	24.8	Very low	123 Å²	123	132.7 Å²	132.7	76%	0.755	79%	0.786	S	S	*	*			trans	-79.4	109	163.4	40.8	0	0	0	0	107.9	Q1163 V1167	Q1163-T1165 PolarHBondContact O-N 3.2Å; T1165-V1167 PolarHBondContact O-N 3.01Å; T1165-V1167 VanDerWaalsContact O-N 3.1Å
1166	S	23.8	Very low	24.9	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	78%	0.784	S	S	*	*			trans	-68.3	102	175.5	54.3	0	0	0	0	109.9	F1164 S1168	F1164-S1166 PolarHBondContact O-N 3.1Å; S1166-S1168 PolarHBondContact O-N 2.66Å
1167	V	23.5	Very low	24.7	Very low	128 Å²	128	136.5 Å²	136.5	78%	0.776	79%	0.794	S	S	*	*			trans	-81.4	93.3	170.3	-179.2	0	0	0	0	107.8	T1165 C1169	T1165-V1167 PolarHBondContact O-N 3.01Å; T1165-V1167 VanDerWaalsContact O-N 3.1Å; V1167-C1169 PolarHBondContact O-N 2.76Å
1168	S	25.9	Very low	24.9	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	80%	0.796	S	S	*	*			trans	-71.6	113.2	168.6	62.7	0	0	0	0	108.9	S1166 C1170	S1166-S1168 PolarHBondContact O-N 2.66Å; S1168-C1170 PolarHBondContact O-N 2.92Å; S1168-C1170 VanDerWaalsContact O-N 3.07Å
1169	C	21.5	Very low	24.8	Very low	121 Å²	121	142 Å²	142	82%	0.818	80%	0.8	S	S	*	*			trans	-64.2	102.6	172.8	-68.7	0	0	0	0	110	V1167	V1167-C1169 PolarHBondContact O-N 2.76Å
1170	C	25.9	Very low	24.7	Very low	120 Å²	120	143.7 Å²	143.7	81%	0.811	80%	0.798	S	S	*	*			trans	-130.3	112	158.4	-79.3	0	0	0	0	107.2	S1168	S1168-C1170 PolarHBondContact O-N 2.92Å; S1168-C1170 VanDerWaalsContact O-N 3.07Å
1171	T	26.6	Very low	24.7	Very low	138 Å²	138	147.1 Å²	147.1	85%	0.847	81%	0.807	S	S	*	*			trans	-61.6	152.1	-177.3	40	0	0	0	0	112.3
1172	P	29.9	Very low	24.8	Very low	122 Å²	122	149.4 Å²	149.4	79%	0.792	81%	0.808	S	S	*	*			trans	-92.3	135.2	-155.2	35	-31	0	0	0	112.8
1173	I	27.2	Very low	24.8	Very low	158 Å²	158	154.9 Å²	154.9	81%	0.81	82%	0.823	S	S	*	*			trans	-125.5	111.6	157.7	-64.1	177	0	0	0	107.7
1174	Q	27.3	Very low	24.8	Very low	173 Å²	173	154.3 Å²	154.3	81%	0.808	82%	0.821	S	S	*	*			trans	57.1	93.9	155.3	-68.1	178.5	-21.1	0	0	119.3
1175	S	22	Very low	24.9	Very low	112 Å²	112	151.2 Å²	151.2	78%	0.783	82%	0.822	S	S	*	*			trans	-7.4	122.5	134	55.3	0	0	0	0	118.1
1176	S	27.7	Very low	24.9	Very low	111 Å²	111	150.5 Å²	150.5	78%	0.776	82%	0.822	S	S	*	*				-176.7	112.1	110.4	56	0	0	0	0	112.6
1177	R	23.8	Very low	25	Very low	240 Å²	240	152.7 Å²	152.7	91%	0.906	82%	0.824	S	S	*	*			trans	35.7	114.6	142.7	-62	-179.6	177.6	175.4	-0.8	119.2
1178	L	26.3	Very low	25.1	Very low	168 Å²	168	150 Å²	150	88%	0.88	82%	0.822	S	S	*	*				-172.8	116.2	110.4	-99	151.9	0	0	0	112
1179	F	23.5	Very low	25	Very low	182 Å²	182	155 Å²	155	80%	0.798	83%	0.831	S	S	*	*			trans	6.6	129.1	160.1	-89.9	-97.8	0	0	0	122.8
1180	Q	22.4	Very low	25.2	Very low	173 Å²	173	159.3 Å²	159.3	81%	0.808	84%	0.836	S	S	*	*			trans	-8.1	115.1	143.6	-71.2	169.3	-44.5	0	0	116.6
1181	Q	24.6	Very low	25.3	Very low	185 Å²	185	158 Å²	158	86%	0.864	83%	0.828	S	S	*	*			trans	-124.5	116.7	144.2	-86	-175.7	-17	0	0	108.8	F1183	Q1181-F1183 PolarHBondContact O-N 3.26Å
1182	Q	25	Very low	25.8	Very low	187 Å²	187	157.1 Å²	157.1	87%	0.874	82%	0.824	S	S	*	*			trans	-57.4	124.8	173.3	-73.7	169.8	-43.6	0	0	109.5	Q1184	Q1182-Q1184 VanDerWaalsContact C-N 3.33Å; Q1182-Q1184 PolarHBondContact O-N 3.39Å
1183	F	23.1	Very low	26	Very low	217 Å²	217	156.9 Å²	156.9	95%	0.952	82%	0.817	S	S	*	*			trans	-66.2	89.7	170.2	-79.9	-91.3	0	0	0	109.7	Q1181	Q1181-F1183 PolarHBondContact O-N 3.26Å
1184	Q	23.6	Very low	26.2	Very low	174 Å²	174	155.5 Å²	155.5	81%	0.813	81%	0.811	S	S	*	*			trans	-92.9	118.7	152.9	-86.8	-171	-22.8	0	0	108.7	Q1182 S1186	Q1182-Q1184 VanDerWaalsContact C-N 3.33Å; Q1182-Q1184 PolarHBondContact O-N 3.39Å; Q1184-S1186 PolarHBondContact O-N 3.45Å
1185	S	24.5	Very low	26.3	Very low	124 Å²	124	153.7 Å²	153.7	87%	0.867	80%	0.798	S	S	*	*			trans	-34.6	118.1	170.7	52.2	0	0	0	0	113.4
1186	S	24.2	Very low	26.6	Very low	108 Å²	108	154.1 Å²	154.1	76%	0.755	79%	0.791	S	S	*	*			trans	-135.8	103.5	163.6	34	0	0	0	0	109.9	Q1184 G1188	Q1184-S1186 PolarHBondContact O-N 3.45Å; S1186-G1188 PolarHBondContact O-N 3.25Å
1187	I	26	Very low	26.8	Very low	163 Å²	163	151.8 Å²	151.8	84%	0.836	78%	0.778	S	S	*	*			trans	-0.8	111	148.6	-63.6	157.7	0	0	0	113.3	F1189	I1187-F1189 PolarHBondContact O-N 3.07Å
1188	G	25.9	Very low	27.2	Very low	72 Å²	72	144 Å²	144	74%	0.742	76%	0.757	S	S	*	*			trans	-60.1	122.9	179.2	0	0	0	0	0	112.6	S1186	S1186-G1188 PolarHBondContact O-N 3.25Å
1189	F	25	Very low	27.5	Very low	207 Å²	207	140.2 Å²	140.2	91%	0.908	74%	0.738	S	S	*	*			trans	-66.7	130.1	166.9	-94	-95.1	0	0	0	110.5	I1187 S1191	I1187-F1189 PolarHBondContact O-N 3.07Å; F1189-S1191 PolarHBondContact O-N 3.29Å
1190	K	24.8	Very low	28.1	Very low	211 Å²	211	138.1 Å²	138.1	92%	0.917	74%	0.735	S	S	*	*			trans	-64.2	110.2	171.4	-73.7	176.2	174.8	177	0	109.8
1191	S	27.6	Very low	29.1	Very low	92 Å²	92	137 Å²	137	64%	0.643	73%	0.734	S	S	*	*			trans	-97.1	138.7	161.5	168.6	0	0	0	0	109	F1189 N1193	F1189-S1191 PolarHBondContact O-N 3.29Å; S1191-N1193 VanDerWaalsContact C-N 3.29Å; S1191-N1193 PolarHBondContact O-N 3.23Å; S1191-N1193 VanDerWaalsContact O-N 3.14Å
1192	P	37.9	Very low	29.8	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	73%	0.733	S	S	*	*	S	Bend	trans	-77.3	1.6	-161.6	-13.6	30	0	0	0	116.7
1193	N	34.7	Very low	30.3	Very low	118 Å²	118	132.5 Å²	132.5	63%	0.631	72%	0.723	S	S	*	*	S	Bend	trans	-121.3	98.6	-173.7	-68.6	-22.2	0	0	0	110	S1191 Y1195	S1191-N1193 VanDerWaalsContact C-N 3.29Å; S1191-N1193 PolarHBondContact O-N 3.23Å; S1191-N1193 VanDerWaalsContact O-N 3.14Å; N1193-Y1195 HydrophobicContact CB-CD2 3.9Å; N1193-Y1195 HydrophobicContact CB-CE2 4.01Å; N1193-Y1195 PolarHBondContact O-N 3.1Å
1194	N	30.7	Very low	31.2	Very low	128 Å²	128	126.1 Å²	126.1	68%	0.684	71%	0.705	S	S	*	*			trans	-64.5	68.3	-176.8	-70.8	-25	0	0	0	113.7
1195	Y	29.4	Very low	31.9	Very low	135 Å²	135	124.6 Å²	124.6	53%	0.529	70%	0.702	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	120.7	172.1	-64.5	-80.6	0	0	0	109.6	N1193 Y1209 Y1211	N1193-Y1195 HydrophobicContact CB-CD2 3.9Å; N1193-Y1195 HydrophobicContact CB-CE2 4.01Å; N1193-Y1195 PolarHBondContact O-N 3.1Å; Y1195-Y1209 HydrophobicContact CD1-CD1 4.24Å; Y1195-Y1211 HydrophobicContact CE1-CD2 4.41Å
1196	L	28.8	Very low	32.1	Very low	122 Å²	122	124.3 Å²	124.3	64%	0.639	69%	0.687	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.3	114.4	166.6	-125.2	119.1	0	0	0	107.5
1197	A	30.7	Very low	32.6	Very low	62 Å²	62	125.3 Å²	125.3	51%	0.512	68%	0.675	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.7	121.5	175.6	0	0	0	0	0	109.1
1198	T	33.7	Very low	32.8	Very low	77 Å²	77	124.3 Å²	124.3	47%	0.472	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.3	125.1	172.5	49.1	0	0	0	0	109.4
1199	N	32.1	Very low	33	Very low	88 Å²	88	128.4 Å²	128.4	47%	0.471	66%	0.656	S	S	.	*			trans	-99.5	123.1	179.4	-169.5	0.4	0	0	0	108.6
1200	N	36.2	Very low	33.1	Very low	137 Å²	137	122.2 Å²	122.2	73%	0.733	64%	0.636	S	S	*	*			trans	-102.1	123.7	179.5	-142.4	1.3	0	0	0	108.6	N1202	N1200-N1202 PolarHBondContact O-N 3.5Å
1201	N	43	Very low	33.1	Very low	149 Å²	149	120.2 Å²	120.2	80%	0.797	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	18.7	-152.7	-109.9	0.5	0	0	0	118.8
1202	N	39.5	Very low	33.1	Very low	156 Å²	156	119.8 Å²	119.8	83%	0.834	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.6	14.9	-176.5	-82.7	-15.3	0	0	0	116.1	N1200	N1200-N1202 PolarHBondContact O-N 3.5Å
1203	N	34.8	Very low	32.5	Very low	123 Å²	123	118.7 Å²	118.7	66%	0.658	61%	0.608	S	S	*	*			trans	-162	118	160	-99.3	-22.1	0	0	0	109.4	D1205	N1203-D1205 PolarHBondContact O-N 3.43Å; N1203-D1205 VanDerWaalsContact O-N 3.09Å
1204	S	43.2	Very low	32	Very low	83 Å²	83	121.7 Å²	121.7	58%	0.58	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-11.8	-172.3	52.9	0	0	0	0	115.2
1205	D	37.6	Very low	31.8	Very low	141 Å²	141	125.4 Å²	125.4	75%	0.754	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	13.6	-165.2	-60.2	-5	0	0	0	113.6	N1203	N1203-D1205 PolarHBondContact O-N 3.43Å; N1203-D1205 VanDerWaalsContact O-N 3.09Å
1206	Q	28.5	Very low	31.7	Very low	119 Å²	119	124.1 Å²	124.1	56%	0.556	64%	0.641	S	S	*	*			trans	-126.6	104.8	174.8	-75.8	-170.5	-17.3	0	0	112.7
1207	Y	34.5	Very low	31.6	Very low	128 Å²	128	124 Å²	124	50%	0.502	65%	0.651	S	S	.	*			trans	-94.4	125.9	173.5	-63.6	-86.4	0	0	0	110.5
1208	Y	29.7	Very low	31.6	Very low	142 Å²	142	123.9 Å²	123.9	56%	0.557	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.8	115.2	172	-68.4	-89.4	0	0	0	109.5
1209	Y	30.4	Very low	31.3	Very low	158 Å²	158	126.2 Å²	126.2	62%	0.62	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.9	111.8	175.8	-63.9	-86	0	0	0	109.3	Y1195	Y1195-Y1209 HydrophobicContact CD1-CD1 4.24Å
1210	T	27.1	Very low	31.1	Very low	78 Å²	78	126.5 Å²	126.5	48%	0.479	68%	0.684	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	116.5	177.6	-47.8	0	0	0	0	109.9	V1212	T1210-V1212 PolarHBondContact O-N 3.22Å
1211	Y	25.5	Very low	30.6	Very low	169 Å²	169	127.7 Å²	127.7	66%	0.663	69%	0.689	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.8	110	178.3	-169.6	-108.4	0	0	0	110.1	Y1195 T1213	Y1195-Y1211 HydrophobicContact CE1-CD2 4.41Å; Y1211-T1213 HydrophobicContact CD1-CG2 3.6Å; Y1211-T1213 HydrophobicContact CE1-CG2 3.2Å
1212	V	26.6	Very low	29.9	Very low	83 Å²	83	129.1 Å²	129.1	50%	0.503	69%	0.691	S	S	.	*			trans	-97.3	98.7	-179	-176.8	0	0	0	0	109.6	T1210 M1214	T1210-V1212 PolarHBondContact O-N 3.22Å; V1212-M1214 PolarHBondContact O-N 3.38Å
1213	T	25.2	Very low	29.3	Very low	97 Å²	97	129.7 Å²	129.7	60%	0.595	69%	0.688	S	S	*	*			trans	-83.8	103.6	169.2	51.9	0	0	0	0	110.4	Y1211 K1215	Y1211-T1213 HydrophobicContact CD1-CG2 3.6Å; Y1211-T1213 HydrophobicContact CE1-CG2 3.2Å; T1213-K1215 PolarHBondContact O-N 3.19Å
1214	M	25.8	Very low	28.9	Very low	181 Å²	181	131.5 Å²	131.5	89%	0.892	70%	0.698	S	S	*	*			trans	-76.6	105.5	158.3	-81.7	-171.8	166.6	0	0	108.4	V1212 S1216	V1212-M1214 PolarHBondContact O-N 3.38Å; M1214-S1216 VanDerWaalsContact C-N 3.28Å; M1214-S1216 PolarHBondContact O-N 3.41Å
1215	K	24.7	Very low	28.3	Very low	205 Å²	205	134.2 Å²	134.2	89%	0.891	71%	0.706	S	S	*	*			trans	-65.3	89.9	167.5	-85.9	-179.2	175.7	175	0	108.8	T1213 S1217	T1213-K1215 PolarHBondContact O-N 3.19Å; K1215-S1217 PolarHBondContact O-N 3.3Å
1216	S	28.9	Very low	28.1	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	71%	0.708	S	S	*	*			trans	-65.6	116.3	158.6	165.7	0	0	0	0	107.6	M1214 G1218	M1214-S1216 VanDerWaalsContact C-N 3.28Å; M1214-S1216 PolarHBondContact O-N 3.41Å; S1216-G1218 PolarHBondContact O-N 2.93Å
1217	S	26.4	Very low	28.3	Very low	120 Å²	120	136.7 Å²	136.7	84%	0.839	72%	0.723	S	S	*	*			trans	-69.1	69.1	168.9	56.9	0	0	0	0	109.4	K1215 T1219	K1215-S1217 PolarHBondContact O-N 3.3Å; S1217-T1219 PolarHBondContact O-N 3.25Å
1218	G	29.6	Very low	28.2	Very low	59 Å²	59	137 Å²	137	61%	0.608	74%	0.738	S	S	*	*			trans	-80.8	106	171	0	0	0	0	0	108.6	S1216 A1220	S1216-G1218 PolarHBondContact O-N 2.93Å; G1218-A1220 PolarHBondContact O-N 3.43Å
1219	T	28.8	Very low	28.2	Very low	127 Å²	127	140.4 Å²	140.4	78%	0.779	76%	0.756	S	S	*	*			trans	-50.1	124.3	167.1	33.3	0	0	0	0	109.6	S1217 I1221	S1217-T1219 PolarHBondContact O-N 3.25Å; T1219-I1221 PolarHBondContact O-N 2.86Å
1220	A	26.8	Very low	28.2	Very low	93 Å²	93	141.5 Å²	141.5	77%	0.769	77%	0.767	S	S	*	*			trans	-60.2	106.4	175.5	0	0	0	0	0	109.4	G1218 Q1222	G1218-A1220 PolarHBondContact O-N 3.43Å; A1220-Q1222 PolarHBondContact O-N 2.97Å
1221	I	26.4	Very low	28.4	Very low	162 Å²	162	145.3 Å²	145.3	83%	0.831	78%	0.783	S	S	*	*			trans	-76.1	86.7	166.6	-59.9	174.8	0	0	0	105.6	T1219 H1223	T1219-I1221 PolarHBondContact O-N 2.86Å; I1221-H1223 PolarHBondContact O-N 3.47Å
1222	Q	27.1	Very low	28.7	Very low	180 Å²	180	143 Å²	143	84%	0.841	79%	0.79	S	S	*	*			trans	-80.8	115.5	173.4	-148.7	171.7	5.5	0	0	107.6	A1220 N1224	A1220-Q1222 PolarHBondContact O-N 2.97Å; Q1222-N1224 PolarHBondContact O-N 3.4Å
1223	H	27	Very low	28.9	Very low	167 Å²	167	151.3 Å²	151.3	77%	0.773	82%	0.823	S	S	*	*			trans	-42.4	127.4	167.9	-89.2	-83.5	0	0	0	110.9	I1221	I1221-H1223 PolarHBondContact O-N 3.47Å
1224	N	28.1	Very low	29	Very low	162 Å²	162	154 Å²	154	87%	0.866	84%	0.835	S	S	*	*			trans	-151.3	112.1	146.8	-103.1	-18.1	0	0	0	110.3	Q1222 N1226	Q1222-N1224 PolarHBondContact O-N 3.4Å; N1224-N1226 PolarHBondContact O-N 3.15Å
1225	N	30.1	Very low	29.2	Very low	139 Å²	139	152.6 Å²	152.6	74%	0.743	83%	0.832	S	S	*	*			trans	-53.2	124.1	157.7	-68.5	-28	0	0	0	108.3
1226	N	32.9	Very low	29.5	Very low	151 Å²	151	149.7 Å²	149.7	81%	0.807	83%	0.828	S	S	*	*				177.8	130.4	122.2	-88.1	-19.5	0	0	0	109.9	N1224 T1228	N1224-N1226 PolarHBondContact O-N 3.15Å; N1226-T1228 PolarHBondContact O-N 3Å
1227	N	32.6	Very low	29.5	Very low	162 Å²	162	152.1 Å²	152.1	87%	0.866	83%	0.833	S	S	*	*			trans	-46.6	116.1	167	-65.2	-33.5	0	0	0	110.6
1228	T	33.3	Very low	29.7	Very low	133 Å²	133	154.1 Å²	154.1	82%	0.816	83%	0.832	S	S	*	*			trans	-173.7	113.1	136.9	25.2	0	0	0	0	107.3	N1226 E1230	N1226-T1228 PolarHBondContact O-N 3Å; T1228-E1230 PolarHBondContact O-N 3.34Å; T1228-E1230 VanDerWaalsContact O-N 3.11Å
1229	F	28.5	Very low	29.7	Very low	215 Å²	215	160.5 Å²	160.5	94%	0.943	85%	0.847	S	S	*	*			trans	-62	104.6	169	-83	-97.9	0	0	0	109.1
1230	E	31.7	Very low	29.8	Very low	180 Å²	180	162.9 Å²	162.9	84%	0.841	85%	0.852	S	S	*	*			trans	-121.5	116.5	153.4	-84.3	-172.6	159.5	0	0	108.4	T1228 C1232	T1228-E1230 PolarHBondContact O-N 3.34Å; T1228-E1230 VanDerWaalsContact O-N 3.11Å; E1230-C1232 PolarHBondContact O-N 3.22Å
1231	I	31.3	Very low	30	Very low	159 Å²	159	168.2 Å²	168.2	82%	0.815	86%	0.858	S	S	*	*			trans	-60.9	113.2	179.8	-66.3	163.5	0	0	0	107.1	E1233	I1231-E1233 PolarHBondContact O-N 3.11Å; I1231-E1233 VanDerWaalsContact O-N 3.11Å
1232	C	31.2	Very low	30.3	Very low	121 Å²	121	168.8 Å²	168.8	82%	0.818	86%	0.861	S	S	*	*			trans	-69.5	104.4	169.9	-67.9	0	0	0	0	108.9	E1230	E1230-C1232 PolarHBondContact O-N 3.22Å
1233	E	29.8	Very low	30.6	Very low	256 Å²	256	167.7 Å²	167.7	100%	1.196	86%	0.862	S	S	*	*			trans	-53.6	0	142.1	-66.7	-174.3	150.3	0	0	110.8	I1231	I1231-E1233 PolarHBondContact O-N 3.11Å; I1231-E1233 VanDerWaalsContact O-N 3.11Å

Retrieved 1,233 of 1,233 residues in 1782.6 ms (Link to these results)

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