A0A087YK89_POEFO Loading...

Proprotein convertase subtilisin/kexin type 5b

AlphaFold DB , UniProt , Accession A0A087YK89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 920 aa.

						>A0A087YK89_POEFO|A0A087YK89
MVHNAAWRRSFLCVLALYLGFASPPCKARLYTNHWAVRIAGGPEVADRIAEKYGYRNMGQIGDLKDHYHFFHSRTIKRSTLSSRGRHSFISMEPKVEWIEQQVVKRRIKRDYKPVPPLSQTSPAQNSVAQNNIFYNDAKWSSMWYIHCSDDVHNCQSDMNIMGAWKRGYTGKDVVVTILDDGIERTHPDLSQNYDPQASYDVNSNDLDPMPRYDATNENKHGTRCAGEVAAAANNSHCIVGIAYNARIGGVRMLDGDVTDMVEARSLSLNPQHIDIYSASWGPDDDGKTVDGPATLARQAFENGIRMGRKGRGSVFVWASGNGGRSRDHCSCDGYTNSIYTISISSTAESGRKPWYLEECSSTLTTTYSSGENYDRKIITTDLRHRCTDSHTGTSASAPMAAAIIALALEANPSLTWRDVQHIIVKTSRAGHLSASDWKTNAAGYNVSHLYGFGLMDAEAMVKEAEQWKQVPAQHVCVETADRQIRTIRPEHLVRSVYKATGCSDNANLKVIYLEHVVVRITITHPRRGDLSINLTSPSGTKSQLLANRLFDHSMEGFKNWEFMTTHCWGEKAAGDWILEIYDTPSQLRSQKVPGKLKEWSLVLYGTSVHPYSTQQKDRFIDPLQPEDEFTEEYNGPCDTECNENGCEGPGPHHCINCLHYFLKFKNNTRMCVSECPSGFFRDDRKRCKKCSSMCETCVGSRSDQCMSCRTGYHLIEGSNTCAVSCADGFYLDSDSNICRRCQENCRRCSASNVCTECKPGMSLQGHKCQMTCNPGTYFNGHRRTCELCHRACATCAGTGIEACTKCADGYLLEDWRCVLTCSPGYYLSELTSDNGQVQRFCKKCDNSCFECLGPGELNCSSCNSGYNLEAGTCVVSTVCKDANEESWAEGGFCVLVKKNNLCQRRVLQQLCCRTCSQKG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.7	Very low	45.9	Very low	241 Å²	241	146.7 Å²	146.7	100%	1.187	72%	0.719	S	S	*	*				0	45.1	0	-70.9	178.5	-179.7	0	0	112.8
2	V	44	Very low	46.1	Very low	126 Å²	126	144.8 Å²	144.8	76%	0.764	71%	0.713	S	S	*	*			trans	-124.8	-9	179.1	-176.3	0	0	0	0	113
3	H	39.8	Very low	46.2	Very low	171 Å²	171	139.8 Å²	139.8	79%	0.792	70%	0.7	S	S	*	*	S	Bend	trans	-91.5	-17.5	178.2	-90.4	9.1	0	0	0	115.9
4	N	43.9	Very low	46.7	Very low	142 Å²	142	134.8 Å²	134.8	76%	0.759	68%	0.68	S	S	*	*	H	α-helix	trans	-89.4	-7.2	-179.5	-86.7	-12.7	0	0	0	115
5	A	44	Very low	46.8	Very low	63 Å²	63	131.7 Å²	131.7	52%	0.521	67%	0.665	S	S	.	*	H	α-helix	trans	-86	-31.3	177.9	0	0	0	0	0	112.8	R9	A5-R9 PolarHBondContact O-N 3.02Å
6	A	45.7	Very low	46.8	Very low	59 Å²	59	127.5 Å²	127.5	49%	0.488	66%	0.657	S	S	.	*	H	α-helix	trans	-70.7	-41.1	179.8	0	0	0	0	0	111.9	R9 S10	A6-R9 PolarHBondContact O-N 2.97Å; A6-S10 PolarHBondContact O-N 2.63Å; A6-S10 VanDerWaalsContact O-N 3.11Å; A6-S10 PolarHBondContact O-OG 3.08Å
7	W	44.5	Very low	46.9	Very low	200 Å²	200	126.2 Å²	126.2	76%	0.758	65%	0.651	S	S	*	*	H	α-helix	trans	-68.4	-37.6	179.6	-98.2	59.3	0	0	0	113.5	S10 F11	W7-S10 PolarHBondContact O-N 2.92Å; W7-F11 PolarHBondContact O-N 3.13Å
8	R	46.6	Very low	46.6	Very low	201 Å²	201	128.8 Å²	128.8	76%	0.758	65%	0.653	S	S	*	*	H	α-helix	trans	-69	-33.7	175.5	-82.4	-172.9	174.4	-156.2	-0.8	113.1	L12	R8-L12 WeakPolarHBondContact O-CB 3.27Å; R8-L12 WeakPolarHBondContact O-CD1 3.43Å; R8-L12 PolarHBondContact O-N 3.19Å; R8-L12 VanDerWaalsContact O-N 3.11Å
9	R	47.6	Very low	46.2	Very low	194 Å²	194	128.3 Å²	128.3	73%	0.732	65%	0.651	S	S	*	*	H	α-helix	trans	-71.2	-38.5	175.6	-77	-174	176.7	-160.7	-0.3	112.4	A5 A6 C13	A5-R9 PolarHBondContact O-N 3.02Å; A6-R9 PolarHBondContact O-N 2.97Å; R9-C13 WeakPolarHBondContact O-CB 3.21Å; R9-C13 PolarHBondContact O-N 3.17Å; R9-C13 PolarHBondContact O-SG 3.21Å
10	S	51.1	Low	45.6	Very low	77 Å²	77	124.3 Å²	124.3	54%	0.538	64%	0.643	S	S	.	*	H	α-helix	trans	-67.4	-39.8	174.3	-66.9	0	0	0	0	112.2	A6 W7 C13 V14	A6-S10 PolarHBondContact O-N 2.63Å; A6-S10 VanDerWaalsContact O-N 3.11Å; A6-S10 PolarHBondContact O-OG 3.08Å; W7-S10 PolarHBondContact O-N 2.92Å; S10-C13 PolarHBondContact O-N 3.35Å; S10-V14 WeakPolarHBondContact O-CB 3.37Å; S10-V14 WeakPolarHBondContact O-CG2 3.34Å; S10-V14 PolarHBondContact O-N 3.16Å
11	F	50.5	Low	45.1	Very low	140 Å²	140	126.5 Å²	126.5	61%	0.614	65%	0.648	S	S	*	*	H	α-helix	trans	-67.9	-36.2	177.6	-129.6	-95.5	0	0	0	112.8	W7 L15	W7-F11 PolarHBondContact O-N 3.13Å; F11-L15 HydrophobicContact CD1-CD1 3.83Å; F11-L15 HydrophobicContact CE1-CD1 4.13Å; F11-L15 WeakPolarHBondContact O-CB 3.27Å; F11-L15 PolarHBondContact O-N 2.98Å
12	L	48.9	Very low	44.5	Very low	124 Å²	124	119 Å²	119	65%	0.649	63%	0.625	S	S	*	*	H	α-helix	trans	-70.9	-36.5	173.9	-81.4	159.9	0	0	0	112.8	R8 A16	R8-L12 WeakPolarHBondContact O-CB 3.27Å; R8-L12 WeakPolarHBondContact O-CD1 3.43Å; R8-L12 PolarHBondContact O-N 3.19Å; R8-L12 VanDerWaalsContact O-N 3.11Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.48Å
13	C	47.5	Very low	43.9	Very low	79 Å²	79	116.6 Å²	116.6	53%	0.534	61%	0.613	S	S	.	*	H	α-helix	trans	-69.4	-37.5	174.2	-70.9	0	0	0	0	112	R9 S10 A16 L17	R9-C13 WeakPolarHBondContact O-CB 3.21Å; R9-C13 PolarHBondContact O-N 3.17Å; R9-C13 PolarHBondContact O-SG 3.21Å; S10-C13 PolarHBondContact O-N 3.35Å; C13-A16 PolarHBondContact O-N 3.47Å; C13-L17 WeakPolarHBondContact O-CB 3.33Å; C13-L17 WeakPolarHBondContact O-CD1 3.42Å; C13-L17 WeakPolarHBondContact O-CG 3.4Å; C13-L17 PolarHBondContact O-N 3.3Å
14	V	52.9	Low	43.5	Very low	70 Å²	70	113.7 Å²	113.7	42%	0.424	61%	0.609	S	S	.	*	H	α-helix	trans	-69.6	-40.9	175.7	173.5	0	0	0	0	110.6	S10 A16 L17 Y18	S10-V14 WeakPolarHBondContact O-CB 3.37Å; S10-V14 WeakPolarHBondContact O-CG2 3.34Å; S10-V14 PolarHBondContact O-N 3.16Å; V14-A16 PolarHBondContact O-N 3.02Å; V14-L17 PolarHBondContact O-N 3.38Å; V14-Y18 HydrophobicContact CG1-CD2 3.6Å; V14-Y18 HydrophobicContact CG1-CE2 3.72Å; V14-Y18 VanDerWaalsContact O-CD2 3.28Å; V14-Y18 WeakPolarHBondContact O-CD2 3.38Å; V14-Y18 PolarHBondContact O-N 3.48Å
15	L	48.1	Very low	43	Very low	88 Å²	88	112.7 Å²	112.7	46%	0.461	61%	0.611	S	S	.	*	H	α-helix	trans	-64.9	-36.5	172.4	-109.5	110.1	0	0	0	112.9	F11 Y18 L19	F11-L15 HydrophobicContact CD1-CD1 3.83Å; F11-L15 HydrophobicContact CE1-CD1 4.13Å; F11-L15 WeakPolarHBondContact O-CB 3.27Å; F11-L15 PolarHBondContact O-N 2.98Å; L15-Y18 PolarHBondContact O-N 2.95Å; L15-L19 HydrophobicContact CD2-CD1 4.13Å; L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.19Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.38Å
16	A	47.6	Very low	42.6	Very low	65 Å²	65	115.4 Å²	115.4	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-68.6	-35.7	174.7	0	0	0	0	0	112.4	L12 C13 V14 G20	L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.48Å; C13-A16 PolarHBondContact O-N 3.47Å; V14-A16 PolarHBondContact O-N 3.02Å; A16-G20 PolarHBondContact O-N 3.37Å
17	L	47.1	Very low	42.7	Very low	105 Å²	105	118.7 Å²	118.7	55%	0.55	63%	0.628	S	S	.	*	H	α-helix	trans	-66.5	-46.3	171.8	-83.8	155.9	0	0	0	110.9	C13 V14 G20 F21	C13-L17 WeakPolarHBondContact O-CB 3.33Å; C13-L17 WeakPolarHBondContact O-CD1 3.42Å; C13-L17 WeakPolarHBondContact O-CG 3.4Å; C13-L17 PolarHBondContact O-N 3.3Å; V14-L17 PolarHBondContact O-N 3.38Å; L17-G20 PolarHBondContact O-N 3.18Å; L17-F21 HydrophobicContact CD2-CE2 4.41Å; L17-F21 WeakPolarHBondContact O-CD2 3.35Å; L17-F21 PolarHBondContact O-N 3.2Å
18	Y	41.5	Very low	43.2	Very low	174 Å²	174	111.8 Å²	111.8	68%	0.682	61%	0.613	S	S	*	*	H	α-helix	trans	-70.7	-33.1	179	-86.4	-78.1	0	0	0	113.9	V14 L15 G20 F21	V14-Y18 HydrophobicContact CG1-CD2 3.6Å; V14-Y18 HydrophobicContact CG1-CE2 3.72Å; V14-Y18 VanDerWaalsContact O-CD2 3.28Å; V14-Y18 WeakPolarHBondContact O-CD2 3.38Å; V14-Y18 PolarHBondContact O-N 3.48Å; L15-Y18 PolarHBondContact O-N 2.95Å; Y18-G20 VanDerWaalsContact C-N 3.35Å; Y18-F21 PolarHBondContact O-N 3.29Å
19	L	39	Very low	44.4	Very low	119 Å²	119	110.6 Å²	110.6	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-75.3	-23.4	172.5	-74.4	164.2	0	0	0	112.6	L15 F21	L15-L19 HydrophobicContact CD2-CD1 4.13Å; L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.19Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 3.38Å; L19-F21 VanDerWaalsContact C-N 3.32Å
20	G	34.5	Very low	45.9	Very low	48 Å²	48	104.6 Å²	104.6	50%	0.495	59%	0.591	S	S	.	*	H	α-helix	trans	-69.3	-26.7	172.3	0	0	0	0	0	113.8	A16 L17 Y18	A16-G20 PolarHBondContact O-N 3.37Å; L17-G20 PolarHBondContact O-N 3.18Å; Y18-G20 VanDerWaalsContact C-N 3.35Å
21	F	35.5	Very low	47.4	Very low	171 Å²	171	103.1 Å²	103.1	75%	0.75	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-2.7	179.1	-72.4	-69.8	0	0	0	114.6	L17 Y18 L19	L17-F21 HydrophobicContact CD2-CE2 4.41Å; L17-F21 WeakPolarHBondContact O-CD2 3.35Å; L17-F21 PolarHBondContact O-N 3.2Å; Y18-F21 PolarHBondContact O-N 3.29Å; L19-F21 VanDerWaalsContact C-N 3.32Å
22	A	33.3	Very low	49.1	Very low	84 Å²	84	96.8 Å²	96.8	69%	0.694	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	10.4	179.6	0	0	0	0	0	114
23	S	32.1	Very low	50.9	Low	74 Å²	74	91.5 Å²	91.5	52%	0.517	52%	0.519	S	S	.	.	S	Bend	trans	-106.4	132.2	166.1	61.3	0	0	0	0	108.9
24	P	32	Very low	52.9	Low	110 Å²	110	90.2 Å²	90.2	71%	0.714	51%	0.505	S	S	*	.			trans	-56.2	139.5	169.9	25	-31.2	0	0	0	107.3	C26	P24-C26 PolarHBondContact O-N 3.29Å
25	P	31.9	Very low	54.8	Low	121 Å²	121	87.5 Å²	87.5	79%	0.786	49%	0.487	S	S	*	.			trans	-56.7	106.8	178.1	22.5	-31.3	0	0	0	107.7	K27	P25-K27 PolarHBondContact O-N 3.36Å
26	C	35.7	Very low	56.8	Low	121 Å²	121	83.3 Å²	83.3	82%	0.818	47%	0.465	S	S	*	.			trans	-63	109.4	168.5	-159.7	0	0	0	0	104.2	P24 A28	P24-C26 PolarHBondContact O-N 3.29Å; C26-A28 PolarHBondContact O-N 3.21Å
27	K	49.5	Very low	58.9	Low	128 Å²	128	80.2 Å²	80.2	56%	0.557	44%	0.44	S	S	*	.			trans	-59.4	94.7	174	-75.5	-176.1	180	-179.7	0	106.2	P25 R29 D284	P25-K27 PolarHBondContact O-N 3.36Å; K27-R29 PolarHBondContact O-N 3.32Å; K27-D284 IonicContact NZ-OD2 2.59Å; K27-D284 PolarHBondContact NZ-OD2 3.04Å
28	A	54.8	Low	61.1	Low	54 Å²	54	79.8 Å²	79.8	45%	0.446	43%	0.431	S	S	.	.			trans	-66.7	126.6	-176.7	0	0	0	0	0	108.7	C26 L30 T80	C26-A28 PolarHBondContact O-N 3.21Å; A28-L30 PolarHBondContact O-N 3.33Å; A28-T80 HydrophobicContact CB-CG2 3.85Å
29	R	70.4	Confident	63.5	Low	177 Å²	177	71.5 Å²	71.5	67%	0.668	40%	0.399	S	S	*	.			trans	-60.3	122.6	173.7	-71.6	-177.6	178.7	-177.4	-2.8	108.9	K27 Y31 V103	K27-R29 PolarHBondContact O-N 3.32Å; R29-Y31 HydrophobicContact CB-CE2 4.06Å; R29-V103 HydrophobicContact CB-CG1 3.94Å; R29-V103 HydrophobicContact CG-CG1 4.38Å
30	L	79.3	Confident	65.8	Low	67 Å²	67	67.2 Å²	67.2	35%	0.351	38%	0.38	S	S	.	.			trans	-94.2	101.1	178.3	-70.3	171.5	0	0	0	109.7	A28 S79 T80 V103 V104	A28-L30 PolarHBondContact O-N 3.33Å; L30-S79 CarbonylContact C-O 3.57Å; L30-S79 WeakPolarHBondContact CA-O 3.06Å; L30-T80 HydrophobicContact CD2-CG2 4.22Å; L30-V103 WeakPolarHBondContact O-CA 3.45Å; L30-V103 WeakPolarHBondContact O-CG1 3.25Å; L30-V104 HydrophobicContact CB-CB 4.23Å; L30-V104 HydrophobicContact CB-CG2 4.28Å; L30-V104 PolarHBondContact O-N 3.24Å
31	Y	83.4	Confident	68.2	Low	46 Å²	46	67.5 Å²	67.5	18%	0.18	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.2	176.1	-64.5	-89.1	0	0	0	111	R29 R78 S79 L81 Q101 V103	R29-Y31 HydrophobicContact CB-CE2 4.06Å; Y31-R78 WeakPolarHBondContact O-CA 3.23Å; Y31-S79 PolarHBondContact N-O 3.2Å; Y31-S79 PolarHBondContact O-N 3.36Å; Y31-L81 VanDerWaalsContact CD2-C 3.48Å; Y31-Q101 HydrophobicContact CD1-CB 4.3Å; Y31-Q101 HydrophobicContact CD1-CG 4.17Å; Y31-V103 HydrophobicContact CD1-CG2 3.63Å; Y31-V103 HydrophobicContact CE1-CG2 3.7Å; Y31-V103 HydrophobicContact CG-CG2 4.29Å
32	T	86.3	Confident	70.7	Confident	8 Å²	8	60.1 Å²	60.1	5%	0.049	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	172.7	177.8	70.9	0	0	0	0	111.9	H34 K77 Q101 Q102 V104 T259	T32-H34 PolarHBondContact O-N 3.11Å; T32-H34 PolarHBondContact OG1-N 3.37Å; T32-K77 WeakPolarHBondContact CA-O 3.43Å; T32-Q101 WeakPolarHBondContact O-CG 3.35Å; T32-Q101 PolarHBondContact O-NE2 3.49Å; T32-Q102 WeakPolarHBondContact CB-O 3.38Å; T32-Q102 WeakPolarHBondContact CG2-O 3.49Å; T32-Q102 PolarHBondContact N-O 3.29Å; T32-Q102 PolarHBondContact OG1-O 3.38Å; T32-V104 HydrophobicContact CG2-CG2 3.64Å; T32-T259 HydrophobicContact CG2-CG2 4.39Å
33	N	87.4	Confident	73.4	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.07	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	28	169.5	61.4	-30.1	0	0	0	113.3	W35 F71 H72 T75	N33-W35 HydrophobicContact CB-CZ3 4.44Å; N33-W35 WeakPolarHBondContact O-CZ3 3.34Å; N33-F71 WeakPolarHBondContact ND2-CE2 3.39Å; N33-H72 PolarHBondContact O-N 3.07Å; N33-H72 VanDerWaalsContact O-N 3.09Å; N33-T75 HydrophobicContact CB-CG2 4.22Å; N33-T75 WeakPolarHBondContact CB-O 3.37Å
34	H	88.9	Confident	76.2	Confident	51 Å²	51	64 Å²	64	24%	0.236	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.3	178.2	-62.7	-119.5	0	0	0	109.9	T32 H69 F70 F71 Q102	T32-H34 PolarHBondContact O-N 3.11Å; T32-H34 PolarHBondContact OG1-N 3.37Å; H34-H69 AromaticContact CE1-NE2 3.81Å; H34-H69 AromaticContact CG-NE2 3.66Å; H34-H69 AromaticContact ND1-CE1 3.33Å; H34-H69 PolarHBondContact ND1-CE1 3.33Å; H34-H69 VanDerWaalsContact ND1-CE1 3.33Å; H34-H69 AromaticContact ND1-NE2 2.84Å; H34-H69 PolarHBondContact ND1-NE2 3.26Å; H34-F70 CarbonylContact C-O 3.54Å; H34-F70 WeakPolarHBondContact CA-O 3.49Å; H34-F71 AromaticContact CE1-CD2 3.74Å; H34-F71 AromaticContact NE2-CD2 3.65Å; H34-F71 AromaticContact NE2-CE2 3.83Å; H34-Q102 HydrophobicContact CB-CB 4.33Å; H34-Q102 HydrophobicContact CB-CG 4.4Å; H34-Q102 WeakPolarHBondContact O-CB 3.43Å; H34-Q102 PolarHBondContact O-N 3.05Å
35	W	91.6	Very high	79.1	Confident	13 Å²	13	59.5 Å²	59.5	5%	0.049	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.5	177.9	-75.1	-104	0	0	0	109.8	N33 V37 Y55 F70 H72 T75 I99 E100 Q101	N33-W35 HydrophobicContact CB-CZ3 4.44Å; N33-W35 WeakPolarHBondContact O-CZ3 3.34Å; W35-V37 HydrophobicContact CB-CG2 4.13Å; W35-Y55 AromaticContact CD2-CE1 3.68Å; W35-Y55 HydrophobicContact CD2-CE1 3.68Å; W35-Y55 HydrophobicContact CE3-CD1 4.24Å; W35-Y55 AromaticContact CE3-CE1 3.59Å; W35-Y55 HydrophobicContact CE3-CE1 3.59Å; W35-Y55 HydrophobicContact CG-CE1 4.12Å; W35-Y55 HydrophobicContact CH2-CE1 4.45Å; W35-Y55 HydrophobicContact CZ3-CE1 4Å; W35-F70 HydrophobicContact CB-CB 4.19Å; W35-F70 PolarHBondContact N-O 2.7Å; W35-F70 PolarHBondContact O-N 2.74Å; W35-H72 HydrophobicContact CE3-CB 4.2Å; W35-H72 HydrophobicContact CH2-CB 3.97Å; W35-H72 HydrophobicContact CZ3-CB 3.43Å; W35-H72 VanDerWaalsContact CZ3-CB 3.43Å; W35-T75 HydrophobicContact CH2-CG2 3.79Å; W35-I99 HydrophobicContact CG-CD1 4.29Å; W35-I99 HydrophobicContact CG-CG1 4.46Å; W35-E100 WeakPolarHBondContact CA-O 3.4Å; W35-Q101 HydrophobicContact CD2-CG 4.23Å; W35-Q101 HydrophobicContact CG-CB 4.48Å; W35-Q101 HydrophobicContact CH2-CG 4.48Å; W35-Q101 HydrophobicContact CZ2-CB 4.41Å; W35-Q101 HydrophobicContact CZ2-CG 3.8Å
36	A	91.4	Very high	82	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.2	160.7	0	0	0	0	0	107.4	I61 Y68 W98 I99 E100 L296	A36-I61 HydrophobicContact CB-CD1 3.59Å; A36-Y68 WeakPolarHBondContact CA-O 3.48Å; A36-W98 HydrophobicContact CB-CH2 3.84Å; A36-W98 HydrophobicContact CB-CZ3 3.62Å; A36-W98 VanDerWaalsContact O-CZ3 3.3Å; A36-W98 WeakPolarHBondContact O-CZ3 3.41Å; A36-I99 WeakPolarHBondContact O-CA 3.26Å; A36-E100 PolarHBondContact N-O 3.35Å; A36-E100 PolarHBondContact O-N 2.84Å; A36-L296 HydrophobicContact CB-CD1 3.68Å
37	V	92.1	Very high	84.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.6	-176.4	-164.5	0	0	0	0	108.7	W35 I39 H67 Y68 F70 V96 W98 I99	W35-V37 HydrophobicContact CB-CG2 4.13Å; V37-I39 HydrophobicContact CB-CD1 4.33Å; V37-I39 HydrophobicContact CB-CG1 4.24Å; V37-I39 HydrophobicContact CG1-CD1 3.81Å; V37-I39 HydrophobicContact CG1-CG1 3.58Å; V37-H67 CarbonylContact O-C 3.53Å; V37-H67 WeakPolarHBondContact O-CA 3.34Å; V37-Y68 PolarHBondContact N-O 3.48Å; V37-Y68 PolarHBondContact O-N 2.85Å; V37-F70 HydrophobicContact CB-CD2 4.47Å; V37-F70 HydrophobicContact CG2-CB 4Å; V37-F70 HydrophobicContact CG2-CD1 4.31Å; V37-F70 HydrophobicContact CG2-CD2 3.67Å; V37-F70 HydrophobicContact CG2-CE2 4.19Å; V37-F70 HydrophobicContact CG2-CG 3.74Å; V37-V96 HydrophobicContact CG1-CG1 3.78Å; V37-V96 HydrophobicContact CG1-CG2 4.41Å; V37-W98 WeakPolarHBondContact CA-O 3.48Å; V37-W98 WeakPolarHBondContact CG1-O 3.49Å; V37-I99 HydrophobicContact CG1-CB 4.21Å; V37-I99 HydrophobicContact CG1-CG1 4.5Å; V37-I99 HydrophobicContact CG2-CD1 3.89Å; V37-I99 HydrophobicContact CG2-CG1 3.97Å
38	R	91.8	Very high	86.8	Confident	97 Å²	97	52.5 Å²	52.5	37%	0.366	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.6	171.9	-172.5	-179.7	165.8	169.9	-13	109.1	D66 E97 W98	R38-D66 CarbonylContact C-O 3.55Å; R38-D66 VanDerWaalsContact CA-O 3.28Å; R38-D66 WeakPolarHBondContact CA-O 3.46Å; R38-E97 WeakPolarHBondContact CD-OE2 3.43Å; R38-E97 HydrophobicContact CG-CB 4.35Å; R38-E97 IonicContact CZ-OE2 3.57Å; R38-E97 IonicContact NE-OE2 3.13Å; R38-E97 PolarHBondContact NE-OE2 3.38Å; R38-E97 IonicContact NH2-OE2 2.81Å; R38-E97 PolarHBondContact NH2-OE2 3.5Å; R38-E97 PolarHBondContact O-N 2.71Å; R38-W98 HydrophobicContact CB-CB 4.04Å; R38-W98 HydrophobicContact CB-CE3 4.23Å; R38-W98 PolarHBondContact N-O 2.87Å
39	I	91.8	Very high	88.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	115.9	-174.7	-56.3	-175	0	0	0	110	V37 V45 A46 I49 D66 Y68 F70 K95 V96	V37-I39 HydrophobicContact CB-CD1 4.33Å; V37-I39 HydrophobicContact CB-CG1 4.24Å; V37-I39 HydrophobicContact CG1-CD1 3.81Å; V37-I39 HydrophobicContact CG1-CG1 3.58Å; I39-V45 HydrophobicContact CG2-CG1 3.86Å; I39-A46 HydrophobicContact CB-CB 4.45Å; I39-A46 HydrophobicContact CD1-CB 3.99Å; I39-I49 HydrophobicContact CD1-CB 4.27Å; I39-I49 HydrophobicContact CD1-CD1 4.42Å; I39-I49 HydrophobicContact CD1-CG2 4.15Å; I39-I49 HydrophobicContact CG2-CD1 3.79Å; I39-D66 PolarHBondContact N-O 3Å; I39-D66 WeakPolarHBondContact O-CB 3.21Å; I39-Y68 HydrophobicContact CB-CD2 4.06Å; I39-Y68 HydrophobicContact CB-CE2 4.17Å; I39-Y68 HydrophobicContact CG1-CD2 4.38Å; I39-F70 HydrophobicContact CD1-CE1 4.21Å; I39-F70 HydrophobicContact CD1-CE2 3.92Å; I39-F70 HydrophobicContact CD1-CZ 3.38Å; I39-K95 WeakPolarHBondContact CA-O 3.32Å; I39-K95 HydrophobicContact CG2-CB 4.46Å; I39-V96 HydrophobicContact CD1-CG2 4.3Å; I39-V96 HydrophobicContact CG1-CG2 4.12Å
40	A	87.8	Confident	89.6	Confident	29 Å²	29	41.8 Å²	41.8	24%	0.24	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	134.9	176.3	0	0	0	0	0	111.6	K95	A40-K95 PolarHBondContact N-O 3.09Å
41	G	84.1	Confident	90.2	Very high	54 Å²	54	46 Å²	46	56%	0.557	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	108.7	15.2	173.3	0	0	0	0	0	115.7	V45	G41-V45 VanDerWaalsContact O-CG2 3.27Å; G41-V45 WeakPolarHBondContact O-CG2 3.46Å
42	G	89	Confident	90.6	Very high	16 Å²	16	50.4 Å²	50.4	17%	0.165	26%	0.257	C	S	.	.			trans	86	178.8	168.5	0	0	0	0	0	115.9	E44 V45 A46 Y68	G42-E44 PolarHBondContact O-N 2.92Å; G42-V45 PolarHBondContact O-N 2.98Å; G42-A46 PolarHBondContact O-N 3.21Å; G42-Y68 WeakPolarHBondContact CA-OH 3.29Å
43	P	90.1	Very high	90.8	Very high	78 Å²	78	52.2 Å²	52.2	51%	0.506	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-36.7	-167.4	22.9	-32.7	0	0	0	113.4	V45 A46 D47 Y68	P43-V45 VanDerWaalsContact C-N 3.29Å; P43-V45 PolarHBondContact O-N 3.2Å; P43-A46 WeakPolarHBondContact O-CA 3.34Å; P43-A46 WeakPolarHBondContact O-CB 3.5Å; P43-A46 PolarHBondContact O-N 2.98Å; P43-A46 VanDerWaalsContact O-N 3.09Å; P43-D47 PolarHBondContact O-N 2.69Å; P43-Y68 HydrophobicContact CB-CE1 4.1Å; P43-Y68 VanDerWaalsContact N-OH 3.09Å
44	E	91.3	Very high	90.8	Very high	162 Å²	162	53.7 Å²	53.7	76%	0.757	28%	0.282	S	S	*	.	H	α-helix	trans	-62	-37.8	178.6	-62	177.4	-178.6	0	0	112.4	G42 R48	G42-E44 PolarHBondContact O-N 2.92Å; E44-R48 PolarHBondContact O-N 2.73Å
45	V	92.1	Very high	90.9	Very high	15 Å²	15	51.7 Å²	51.7	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-39.5	176	176.2	0	0	0	0	110.1	I39 G41 G42 P43 R48 I49 K95	I39-V45 HydrophobicContact CG2-CG1 3.86Å; G41-V45 VanDerWaalsContact O-CG2 3.27Å; G41-V45 WeakPolarHBondContact O-CG2 3.46Å; G42-V45 PolarHBondContact O-N 2.98Å; P43-V45 VanDerWaalsContact C-N 3.29Å; P43-V45 PolarHBondContact O-N 3.2Å; V45-R48 PolarHBondContact O-N 3.1Å; V45-I49 HydrophobicContact CG1-CD1 3.84Å; V45-I49 HydrophobicContact CG1-CG1 4.48Å; V45-I49 WeakPolarHBondContact O-CG1 3.49Å; V45-I49 PolarHBondContact O-N 2.91Å; V45-K95 HydrophobicContact CG1-CB 4.47Å; V45-K95 HydrophobicContact CG1-CD 3.59Å
46	A	92.6	Very high	90.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-44.1	176.4	0	0	0	0	0	111.8	I39 G42 P43 R48 I49 A50 Y68 F70	I39-A46 HydrophobicContact CB-CB 4.45Å; I39-A46 HydrophobicContact CD1-CB 3.99Å; G42-A46 PolarHBondContact O-N 3.21Å; P43-A46 WeakPolarHBondContact O-CA 3.34Å; P43-A46 WeakPolarHBondContact O-CB 3.5Å; P43-A46 PolarHBondContact O-N 2.98Å; P43-A46 VanDerWaalsContact O-N 3.09Å; A46-R48 PolarHBondContact O-N 3.16Å; A46-I49 PolarHBondContact O-N 3.4Å; A46-A50 WeakPolarHBondContact O-CB 3.47Å; A46-A50 PolarHBondContact O-N 2.82Å; A46-Y68 HydrophobicContact CB-CD1 3.91Å; A46-Y68 HydrophobicContact CB-CD2 3.55Å; A46-Y68 HydrophobicContact CB-CE1 4.05Å; A46-Y68 HydrophobicContact CB-CE2 3.68Å; A46-Y68 HydrophobicContact CB-CG 3.67Å; A46-F70 HydrophobicContact CB-CE1 4.3Å; A46-F70 HydrophobicContact CB-CZ 4.3Å; A46-F70 VanDerWaalsContact O-CZ 3.29Å; A46-F70 WeakPolarHBondContact O-CZ 3.47Å
47	D	92.6	Very high	90.9	Very high	73 Å²	73	60.7 Å²	60.7	39%	0.39	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-48.4	176.4	-71.3	-27.6	0	0	0	111.6	P43 I49 A50 E51 N57	P43-D47 PolarHBondContact O-N 2.69Å; D47-I49 VanDerWaalsContact C-N 3.34Å; D47-I49 PolarHBondContact O-N 2.83Å; D47-A50 WeakPolarHBondContact O-CB 3.36Å; D47-A50 PolarHBondContact O-N 2.83Å; D47-E51 PolarHBondContact O-N 2.83Å; D47-N57 WeakPolarHBondContact OD1-CB 3.42Å; D47-N57 PolarHBondContact OD1-ND2 3.22Å
48	R	94	Very high	90.8	Very high	150 Å²	150	64.3 Å²	64.3	57%	0.566	33%	0.326	S	S	*	.	H	α-helix	trans	-61.1	-41.2	178.6	-173.2	-177.1	65.8	-160.9	0.3	112.6	E44 V45 A46 K52	E44-R48 PolarHBondContact O-N 2.73Å; V45-R48 PolarHBondContact O-N 3.1Å; A46-R48 PolarHBondContact O-N 3.16Å; R48-K52 WeakPolarHBondContact O-CB 3.5Å; R48-K52 PolarHBondContact O-N 3.37Å; R48-K52 VanDerWaalsContact O-N 3.16Å
49	I	92.6	Very high	90.5	Very high	5 Å²	5	61 Å²	61	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-70.7	-39.3	177.7	-69.4	174	0	0	0	110.4	I39 V45 A46 D47 K52 Y53 I90 E93 K95 V96	I39-I49 HydrophobicContact CD1-CB 4.27Å; I39-I49 HydrophobicContact CD1-CD1 4.42Å; I39-I49 HydrophobicContact CD1-CG2 4.15Å; I39-I49 HydrophobicContact CG2-CD1 3.79Å; V45-I49 HydrophobicContact CG1-CD1 3.84Å; V45-I49 HydrophobicContact CG1-CG1 4.48Å; V45-I49 WeakPolarHBondContact O-CG1 3.49Å; V45-I49 PolarHBondContact O-N 2.91Å; A46-I49 PolarHBondContact O-N 3.4Å; D47-I49 VanDerWaalsContact C-N 3.34Å; D47-I49 PolarHBondContact O-N 2.83Å; I49-K52 PolarHBondContact O-N 3.41Å; I49-Y53 HydrophobicContact CG2-CD2 4.22Å; I49-Y53 WeakPolarHBondContact O-CD2 3.25Å; I49-Y53 PolarHBondContact O-N 3.3Å; I49-I90 HydrophobicContact CG2-CD1 3.71Å; I49-I90 HydrophobicContact CG2-CG1 3.82Å; I49-E93 HydrophobicContact CG2-CG 4.28Å; I49-K95 HydrophobicContact CD1-CB 4.13Å; I49-V96 HydrophobicContact CD1-CG2 4.21Å; I49-V96 HydrophobicContact CG2-CG2 4.01Å
50	A	92.3	Very high	90.5	Very high	1 Å²	1	65 Å²	65	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-57.7	-53.3	176.6	0	0	0	0	0	110.9	A46 D47 K52 Y53 G54 Y55 N57 F70	A46-A50 WeakPolarHBondContact O-CB 3.47Å; A46-A50 PolarHBondContact O-N 2.82Å; D47-A50 WeakPolarHBondContact O-CB 3.36Å; D47-A50 PolarHBondContact O-N 2.83Å; A50-K52 VanDerWaalsContact C-N 3.34Å; A50-K52 PolarHBondContact O-N 2.87Å; A50-Y53 PolarHBondContact O-N 3.44Å; A50-G54 PolarHBondContact O-N 3.13Å; A50-G54 VanDerWaalsContact O-N 3.1Å; A50-Y55 CarbonylContact C-O 3.24Å; A50-Y55 VanDerWaalsContact C-O 3.24Å; A50-Y55 PolarHBondContact O-N 3.17Å; A50-Y55 VanDerWaalsContact O-O 3.12Å; A50-N57 HydrophobicContact CB-CB 3.95Å; A50-F70 HydrophobicContact CB-CD1 4.48Å; A50-F70 HydrophobicContact CB-CD2 4.1Å; A50-F70 HydrophobicContact CB-CE1 4.03Å; A50-F70 HydrophobicContact CB-CE2 3.6Å; A50-F70 HydrophobicContact CB-CZ 3.57Å
51	E	91.3	Very high	90.6	Very high	155 Å²	155	63.8 Å²	63.8	72%	0.724	33%	0.33	S	S	*	.	H	α-helix	trans	-58.5	-44.1	179.1	-73.3	-175.2	169.7	0	0	112.1	D47 Y53 G54	D47-E51 PolarHBondContact O-N 2.83Å; E51-Y53 PolarHBondContact O-N 3.07Å; E51-G54 PolarHBondContact O-N 2.84Å
52	K	90.9	Very high	90.7	Very high	139 Å²	139	62.6 Å²	62.6	60%	0.604	32%	0.318	S	S	*	.	H	α-helix	trans	-56.2	-36.1	180	-178.8	176.2	175.6	-176.6	0	113.1	R48 I49 A50 E93	R48-K52 WeakPolarHBondContact O-CB 3.5Å; R48-K52 PolarHBondContact O-N 3.37Å; R48-K52 VanDerWaalsContact O-N 3.16Å; I49-K52 PolarHBondContact O-N 3.41Å; A50-K52 VanDerWaalsContact C-N 3.34Å; A50-K52 PolarHBondContact O-N 2.87Å; K52-E93 WeakPolarHBondContact CD-OE1 3.46Å; K52-E93 VanDerWaalsContact CE-OE1 3.27Å; K52-E93 WeakPolarHBondContact CE-OE1 3.43Å; K52-E93 IonicContact NZ-OE1 2.63Å; K52-E93 PolarHBondContact NZ-OE1 2.9Å
53	Y	90.6	Very high	90.4	Very high	45 Å²	45	63.8 Å²	63.8	18%	0.176	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	9.2	-177	-69.4	-86	0	0	0	114	I49 A50 E51 H87 F89 I90 E93	I49-Y53 HydrophobicContact CG2-CD2 4.22Å; I49-Y53 WeakPolarHBondContact O-CD2 3.25Å; I49-Y53 PolarHBondContact O-N 3.3Å; A50-Y53 PolarHBondContact O-N 3.44Å; E51-Y53 PolarHBondContact O-N 3.07Å; Y53-H87 WeakPolarHBondContact O-CB 3.28Å; Y53-F89 HydrophobicContact CE1-CB 3.94Å; Y53-I90 HydrophobicContact CD1-CB 4.14Å; Y53-I90 HydrophobicContact CD2-CB 4.06Å; Y53-I90 HydrophobicContact CD2-CG1 4.06Å; Y53-I90 HydrophobicContact CE2-CB 4.48Å; Y53-I90 HydrophobicContact CE2-CG1 4.49Å; Y53-I90 HydrophobicContact CG-CB 3.88Å; Y53-I90 HydrophobicContact CG-CG1 4.33Å; Y53-E93 HydrophobicContact CD2-CG 4.43Å; Y53-E93 HydrophobicContact CE2-CG 3.41Å; Y53-E93 VanDerWaalsContact CE2-CG 3.41Å; Y53-E93 WeakPolarHBondContact CE2-OE1 3.48Å; Y53-E93 PolarHBondContact OH-OE1 2.85Å
54	G	88.3	Confident	90.3	Very high	44 Å²	44	60.2 Å²	60.2	45%	0.454	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	18.5	176.3	0	0	0	0	0	114.6	A50 E51 H72	A50-G54 PolarHBondContact O-N 3.13Å; A50-G54 VanDerWaalsContact O-N 3.1Å; E51-G54 PolarHBondContact O-N 2.84Å; G54-H72 PolarHBondContact O-CD2 3.03Å
55	Y	91.3	Very high	90	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.039	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-89.4	154.8	170.1	-64.1	-85.5	0	0	0	110.8	W35 A50 F70 F71 H72 H87 I90	W35-Y55 AromaticContact CD2-CE1 3.68Å; W35-Y55 HydrophobicContact CD2-CE1 3.68Å; W35-Y55 HydrophobicContact CE3-CD1 4.24Å; W35-Y55 AromaticContact CE3-CE1 3.59Å; W35-Y55 HydrophobicContact CE3-CE1 3.59Å; W35-Y55 HydrophobicContact CG-CE1 4.12Å; W35-Y55 HydrophobicContact CH2-CE1 4.45Å; W35-Y55 HydrophobicContact CZ3-CE1 4Å; A50-Y55 CarbonylContact C-O 3.24Å; A50-Y55 VanDerWaalsContact C-O 3.24Å; A50-Y55 PolarHBondContact O-N 3.17Å; A50-Y55 VanDerWaalsContact O-O 3.12Å; Y55-F70 HydrophobicContact CD1-CB 3.84Å; Y55-F70 HydrophobicContact CD1-CD2 4.25Å; Y55-F70 HydrophobicContact CD2-CD2 4.04Å; Y55-F70 HydrophobicContact CG-CB 4.12Å; Y55-F70 AromaticContact CG-CD2 3.74Å; Y55-F70 HydrophobicContact CG-CD2 3.74Å; Y55-F70 HydrophobicContact CG-CG 4.35Å; Y55-F71 CarbonylContact C-O 3.58Å; Y55-F71 WeakPolarHBondContact CA-O 3.42Å; Y55-H72 HydrophobicContact CD1-CB 3.77Å; Y55-H72 HydrophobicContact CE1-CB 3.84Å; Y55-H87 HydrophobicContact CE2-CB 3.82Å; Y55-H87 AromaticContact CZ-CD2 4Å; Y55-H87 PolarHBondContact OH-CD2 2.93Å; Y55-H87 PolarHBondContact OH-O 2.83Å; Y55-I90 HydrophobicContact CD2-CD1 4.03Å; Y55-I90 HydrophobicContact CE2-CB 4.3Å; Y55-I90 HydrophobicContact CE2-CD1 3.9Å; Y55-I90 HydrophobicContact CE2-CG2 4.11Å
56	R	90.9	Very high	89.9	Confident	175 Å²	175	60.8 Å²	60.8	66%	0.66	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.7	161.9	-174.2	178	-177.6	-178.4	0.5	108.1	M58 F70 F71	R56-M58 HydrophobicContact CG-SD 4.26Å; R56-F70 WeakPolarHBondContact O-CA 3.34Å; R56-F71 HydrophobicContact CB-CD1 4.46Å; R56-F71 PolarHBondContact N-O 2.79Å; R56-F71 PolarHBondContact O-N 2.82Å
57	N	91.7	Very high	89.9	Confident	26 Å²	26	61.3 Å²	61.3	14%	0.139	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.9	170.5	-171.9	9.2	0	0	0	109.1	D47 A50 G59 F70	D47-N57 WeakPolarHBondContact OD1-CB 3.42Å; D47-N57 PolarHBondContact OD1-ND2 3.22Å; A50-N57 HydrophobicContact CB-CB 3.95Å; N57-G59 PolarHBondContact OD1-N 2.8Å; N57-F70 HydrophobicContact CB-CD1 4.22Å; N57-F70 HydrophobicContact CB-CE1 3.92Å
58	M	88.8	Confident	90	Very high	76 Å²	76	58 Å²	58	37%	0.374	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	1.6	179.5	-58.4	-68.4	-65.9	0	0	111.9	R56 H69 F71	R56-M58 HydrophobicContact CG-SD 4.26Å; M58-H69 HydrophobicContact CB-CB 4.07Å; M58-H69 WeakPolarHBondContact CB-ND1 3.47Å; M58-H69 VanDerWaalsContact CB-O 3.32Å; M58-H69 WeakPolarHBondContact CB-O 3.4Å; M58-H69 PolarHBondContact N-O 3.25Å; M58-F71 HydrophobicContact CG-CB 3.97Å; M58-F71 HydrophobicContact SD-CB 4.26Å
59	G	87.1	Confident	89.8	Confident	29 Å²	29	51.8 Å²	51.8	30%	0.299	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107	-179	179.3	0	0	0	0	0	113.5	N57 Y68 H69	N57-G59 PolarHBondContact OD1-N 2.8Å; G59-Y68 WeakPolarHBondContact O-CA 3.5Å; G59-H69 PolarHBondContact O-N 2.82Å
60	Q	91.6	Very high	89.9	Confident	84 Å²	84	51.5 Å²	51.5	39%	0.393	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.3	178.2	-166.9	177.8	-82.8	0	0	111	G62 L64 H67 Y68	Q60-G62 PolarHBondContact NE2-O 2.94Å; Q60-G62 VanDerWaalsContact NE2-O 3.14Å; Q60-G62 PolarHBondContact O-N 2.95Å; Q60-L64 VanDerWaalsContact CG-O 3.25Å; Q60-L64 WeakPolarHBondContact CG-O 3.23Å; Q60-H67 CarbonylContact C-O 3.51Å; Q60-H67 VanDerWaalsContact CA-O 3.32Å; Q60-H67 WeakPolarHBondContact CA-O 3.45Å; Q60-H67 VanDerWaalsContact CG-O 3.26Å; Q60-H67 WeakPolarHBondContact CG-O 3.49Å; Q60-Y68 HydrophobicContact CB-CD1 4.35Å; Q60-Y68 HydrophobicContact CB-CE1 4.24Å
61	I	89	Confident	89.7	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.27	C	S	.	.			trans	-81.2	95.5	177.2	-60.1	168.7	0	0	0	108.6	A36 D63 L64 H67 H69 M261 A264 L296	A36-I61 HydrophobicContact CB-CD1 3.59Å; I61-D63 PolarHBondContact O-N 2.78Å; I61-L64 HydrophobicContact CG2-CD1 4.19Å; I61-L64 VanDerWaalsContact O-CB 3.28Å; I61-L64 WeakPolarHBondContact O-CB 3.32Å; I61-L64 WeakPolarHBondContact O-CG 3.3Å; I61-L64 PolarHBondContact O-N 2.86Å; I61-L64 VanDerWaalsContact O-N 3.1Å; I61-H67 HydrophobicContact CD1-CB 4.49Å; I61-H67 PolarHBondContact N-O 3.09Å; I61-H69 HydrophobicContact CD1-CB 4.4Å; I61-H69 HydrophobicContact CG1-CB 3.92Å; I61-M261 HydrophobicContact CD1-CG 3.9Å; I61-M261 HydrophobicContact CD1-SD 4.09Å; I61-M261 HydrophobicContact CG1-CG 4.02Å; I61-M261 HydrophobicContact CG1-SD 4.26Å; I61-M261 HydrophobicContact CG2-CG 3.87Å; I61-A264 HydrophobicContact CG2-CB 4.49Å; I61-L296 HydrophobicContact CD1-CD1 4.46Å
62	G	86.1	Confident	89.6	Confident	29 Å²	29	47.5 Å²	47.5	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-134.5	177.8	0	0	0	0	0	112.5	Q60 L64 S268	Q60-G62 PolarHBondContact NE2-O 2.94Å; Q60-G62 VanDerWaalsContact NE2-O 3.14Å; Q60-G62 PolarHBondContact O-N 2.95Å; G62-L64 VanDerWaalsContact C-N 3.31Å; G62-S268 WeakPolarHBondContact CA-OG 3.22Å
63	D	83.6	Confident	89.2	Confident	42 Å²	42	45.1 Å²	45.1	23%	0.225	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.3	177	76.2	-7.6	0	0	0	114.2	I61 K65 S268 N303	I61-D63 PolarHBondContact O-N 2.78Å; D63-K65 PolarHBondContact O-N 3Å; D63-S268 VanDerWaalsContact CG-CB 3.48Å; D63-S268 WeakPolarHBondContact OD1-CB 3.21Å; D63-N303 PolarHBondContact OD1-ND2 3.09Å
64	L	86.6	Confident	88.6	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.272	C	S	.	.			trans	-72.7	99.4	-177	-56	-177.6	0	0	0	110.4	Q60 I61 G62 D66 H67 A264 L296 Q299 N303	Q60-L64 VanDerWaalsContact CG-O 3.25Å; Q60-L64 WeakPolarHBondContact CG-O 3.23Å; I61-L64 HydrophobicContact CG2-CD1 4.19Å; I61-L64 VanDerWaalsContact O-CB 3.28Å; I61-L64 WeakPolarHBondContact O-CB 3.32Å; I61-L64 WeakPolarHBondContact O-CG 3.3Å; I61-L64 PolarHBondContact O-N 2.86Å; I61-L64 VanDerWaalsContact O-N 3.1Å; G62-L64 VanDerWaalsContact C-N 3.31Å; L64-D66 PolarHBondContact O-N 3.46Å; L64-H67 HydrophobicContact CB-CB 3.83Å; L64-H67 PolarHBondContact O-N 3.24Å; L64-A264 HydrophobicContact CD1-CB 4.2Å; L64-L296 HydrophobicContact CD1-CB 4.08Å; L64-L296 HydrophobicContact CD1-CD2 3.89Å; L64-Q299 HydrophobicContact CD2-CB 3.95Å; L64-N303 WeakPolarHBondContact CD2-ND2 3.32Å
65	K	86.4	Confident	88.2	Confident	154 Å²	154	52.4 Å²	52.4	67%	0.67	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	135.4	178.4	-173	-178.7	175.3	-178.4	0	111.3	D63 H67	D63-K65 PolarHBondContact O-N 3Å; K65-H67 PolarHBondContact O-N 2.73Å; K65-H67 PolarHBondContact O-ND1 2.8Å
66	D	90.3	Very high	87.3	Confident	35 Å²	35	57.8 Å²	57.8	19%	0.187	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	11.3	177.4	-62.7	-44.8	0	0	0	114.6	R38 I39 L64 Y68	R38-D66 CarbonylContact C-O 3.55Å; R38-D66 VanDerWaalsContact CA-O 3.28Å; R38-D66 WeakPolarHBondContact CA-O 3.46Å; I39-D66 PolarHBondContact N-O 3Å; I39-D66 WeakPolarHBondContact O-CB 3.21Å; L64-D66 PolarHBondContact O-N 3.46Å; D66-Y68 WeakPolarHBondContact O-CD2 3.2Å; D66-Y68 WeakPolarHBondContact O-CE2 3.32Å
67	H	92.1	Very high	86.3	Confident	11 Å²	11	56 Å²	56	5%	0.051	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122	173.7	-68.7	72	0	0	0	110.7	V37 Q60 I61 L64 K65	V37-H67 CarbonylContact O-C 3.53Å; V37-H67 WeakPolarHBondContact O-CA 3.34Å; Q60-H67 CarbonylContact C-O 3.51Å; Q60-H67 VanDerWaalsContact CA-O 3.32Å; Q60-H67 WeakPolarHBondContact CA-O 3.45Å; Q60-H67 VanDerWaalsContact CG-O 3.26Å; Q60-H67 WeakPolarHBondContact CG-O 3.49Å; I61-H67 HydrophobicContact CD1-CB 4.49Å; I61-H67 PolarHBondContact N-O 3.09Å; L64-H67 HydrophobicContact CB-CB 3.83Å; L64-H67 PolarHBondContact O-N 3.24Å; K65-H67 PolarHBondContact O-N 2.73Å; K65-H67 PolarHBondContact O-ND1 2.8Å
68	Y	93.5	Very high	85.4	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.8	-172.8	-60	-82	0	0	0	112	A36 V37 I39 G42 P43 A46 G59 Q60 D66	A36-Y68 WeakPolarHBondContact CA-O 3.48Å; V37-Y68 PolarHBondContact N-O 3.48Å; V37-Y68 PolarHBondContact O-N 2.85Å; I39-Y68 HydrophobicContact CB-CD2 4.06Å; I39-Y68 HydrophobicContact CB-CE2 4.17Å; I39-Y68 HydrophobicContact CG1-CD2 4.38Å; G42-Y68 WeakPolarHBondContact CA-OH 3.29Å; P43-Y68 HydrophobicContact CB-CE1 4.1Å; P43-Y68 VanDerWaalsContact N-OH 3.09Å; A46-Y68 HydrophobicContact CB-CD1 3.91Å; A46-Y68 HydrophobicContact CB-CD2 3.55Å; A46-Y68 HydrophobicContact CB-CE1 4.05Å; A46-Y68 HydrophobicContact CB-CE2 3.68Å; A46-Y68 HydrophobicContact CB-CG 3.67Å; G59-Y68 WeakPolarHBondContact O-CA 3.5Å; Q60-Y68 HydrophobicContact CB-CD1 4.35Å; Q60-Y68 HydrophobicContact CB-CE1 4.24Å; D66-Y68 WeakPolarHBondContact O-CD2 3.2Å; D66-Y68 WeakPolarHBondContact O-CE2 3.32Å
69	H	91.3	Very high	84.9	Confident	19 Å²	19	59.4 Å²	59.4	9%	0.088	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.3	174.5	171.9	-160.6	0	0	0	109.5	H34 M58 G59 I61 M261	H34-H69 AromaticContact CE1-NE2 3.81Å; H34-H69 AromaticContact CG-NE2 3.66Å; H34-H69 AromaticContact ND1-CE1 3.33Å; H34-H69 PolarHBondContact ND1-CE1 3.33Å; H34-H69 VanDerWaalsContact ND1-CE1 3.33Å; H34-H69 AromaticContact ND1-NE2 2.84Å; H34-H69 PolarHBondContact ND1-NE2 3.26Å; M58-H69 HydrophobicContact CB-CB 4.07Å; M58-H69 WeakPolarHBondContact CB-ND1 3.47Å; M58-H69 VanDerWaalsContact CB-O 3.32Å; M58-H69 WeakPolarHBondContact CB-O 3.4Å; M58-H69 PolarHBondContact N-O 3.25Å; G59-H69 PolarHBondContact O-N 2.82Å; I61-H69 HydrophobicContact CD1-CB 4.4Å; I61-H69 HydrophobicContact CG1-CB 3.92Å; H69-M261 HydrophobicContact CB-SD 3.62Å; H69-M261 VanDerWaalsContact CD2-SD 3.5Å
70	F	93.4	Very high	84.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.3	175.7	-78.8	20.4	0	0	0	111.4	H34 W35 V37 I39 A46 A50 Y55 R56 N57 I90	H34-F70 CarbonylContact C-O 3.54Å; H34-F70 WeakPolarHBondContact CA-O 3.49Å; W35-F70 HydrophobicContact CB-CB 4.19Å; W35-F70 PolarHBondContact N-O 2.7Å; W35-F70 PolarHBondContact O-N 2.74Å; V37-F70 HydrophobicContact CB-CD2 4.47Å; V37-F70 HydrophobicContact CG2-CB 4Å; V37-F70 HydrophobicContact CG2-CD1 4.31Å; V37-F70 HydrophobicContact CG2-CD2 3.67Å; V37-F70 HydrophobicContact CG2-CE2 4.19Å; V37-F70 HydrophobicContact CG2-CG 3.74Å; I39-F70 HydrophobicContact CD1-CE1 4.21Å; I39-F70 HydrophobicContact CD1-CE2 3.92Å; I39-F70 HydrophobicContact CD1-CZ 3.38Å; A46-F70 HydrophobicContact CB-CE1 4.3Å; A46-F70 HydrophobicContact CB-CZ 4.3Å; A46-F70 VanDerWaalsContact O-CZ 3.29Å; A46-F70 WeakPolarHBondContact O-CZ 3.47Å; A50-F70 HydrophobicContact CB-CD1 4.48Å; A50-F70 HydrophobicContact CB-CD2 4.1Å; A50-F70 HydrophobicContact CB-CE1 4.03Å; A50-F70 HydrophobicContact CB-CE2 3.6Å; A50-F70 HydrophobicContact CB-CZ 3.57Å; Y55-F70 HydrophobicContact CD1-CB 3.84Å; Y55-F70 HydrophobicContact CD1-CD2 4.25Å; Y55-F70 HydrophobicContact CD2-CD2 4.04Å; Y55-F70 HydrophobicContact CG-CB 4.12Å; Y55-F70 AromaticContact CG-CD2 3.74Å; Y55-F70 HydrophobicContact CG-CD2 3.74Å; Y55-F70 HydrophobicContact CG-CG 4.35Å; R56-F70 WeakPolarHBondContact O-CA 3.34Å; N57-F70 HydrophobicContact CB-CD1 4.22Å; N57-F70 HydrophobicContact CB-CE1 3.92Å; F70-I90 HydrophobicContact CD2-CD1 3.94Å; F70-I90 HydrophobicContact CE2-CD1 3.68Å
71	F	89.7	Confident	83.3	Confident	55 Å²	55	64.1 Å²	64.1	24%	0.241	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.3	176.5	172.3	-98.9	0	0	0	110.8	N33 H34 Y55 R56 M58	N33-F71 WeakPolarHBondContact ND2-CE2 3.39Å; H34-F71 AromaticContact CE1-CD2 3.74Å; H34-F71 AromaticContact NE2-CD2 3.65Å; H34-F71 AromaticContact NE2-CE2 3.83Å; Y55-F71 CarbonylContact C-O 3.58Å; Y55-F71 WeakPolarHBondContact CA-O 3.42Å; R56-F71 HydrophobicContact CB-CD1 4.46Å; R56-F71 PolarHBondContact N-O 2.79Å; R56-F71 PolarHBondContact O-N 2.82Å; M58-F71 HydrophobicContact CG-CB 3.97Å; M58-F71 HydrophobicContact SD-CB 4.26Å
72	H	89.1	Confident	82.9	Confident	17 Å²	17	66.5 Å²	66.5	8%	0.079	33%	0.332	C	S	.	.			trans	-119.8	108.7	176.6	-166	-91.6	0	0	0	111.4	N33 W35 G54 Y55 R74 T75 H87	N33-H72 PolarHBondContact O-N 3.07Å; N33-H72 VanDerWaalsContact O-N 3.09Å; W35-H72 HydrophobicContact CE3-CB 4.2Å; W35-H72 HydrophobicContact CH2-CB 3.97Å; W35-H72 HydrophobicContact CZ3-CB 3.43Å; W35-H72 VanDerWaalsContact CZ3-CB 3.43Å; G54-H72 PolarHBondContact O-CD2 3.03Å; Y55-H72 HydrophobicContact CD1-CB 3.77Å; Y55-H72 HydrophobicContact CE1-CB 3.84Å; H72-R74 VanDerWaalsContact C-N 3.28Å; H72-R74 PolarHBondContact O-N 3.24Å; H72-T75 PolarHBondContact ND1-N 3.07Å; H72-T75 PolarHBondContact ND1-OG1 3.03Å; H72-T75 PolarHBondContact O-N 2.88Å; H72-H87 AromaticContact NE2-CG 3.75Å
73	S	82.5	Confident	82.5	Confident	88 Å²	88	66.4 Å²	66.4	62%	0.615	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.7	-172.3	58.9	0	0	0	0	114.5
74	R	78.2	Confident	81.9	Confident	227 Å²	227	75 Å²	75	86%	0.857	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	1	-177.8	-58	-178.6	-177.2	178.8	1.8	113.8	H72	H72-R74 VanDerWaalsContact C-N 3.28Å; H72-R74 PolarHBondContact O-N 3.24Å
75	T	78.4	Confident	81.3	Confident	16 Å²	16	76.5 Å²	76.5	10%	0.098	37%	0.372	C	S	.	.	S	Bend	trans	-92.5	139.8	175.3	-58.7	0	0	0	0	110.3	N33 W35 H72 K77 S83	N33-T75 HydrophobicContact CB-CG2 4.22Å; N33-T75 WeakPolarHBondContact CB-O 3.37Å; W35-T75 HydrophobicContact CH2-CG2 3.79Å; H72-T75 PolarHBondContact ND1-N 3.07Å; H72-T75 PolarHBondContact ND1-OG1 3.03Å; H72-T75 PolarHBondContact O-N 2.88Å; T75-K77 PolarHBondContact O-N 3.27Å; T75-S83 WeakPolarHBondContact CG2-OG 3.03Å
76	I	73.4	Confident	80.5	Confident	123 Å²	123	79.8 Å²	79.8	63%	0.631	38%	0.38	S	S	*	.			trans	-58.9	128.3	177.3	-55.3	174.9	0	0	0	109.5	R78	I76-R78 VanDerWaalsContact C-N 3.25Å; I76-R78 VanDerWaalsContact CG2-O 3.3Å; I76-R78 WeakPolarHBondContact CG2-O 3.46Å; I76-R78 PolarHBondContact O-N 2.96Å
77	K	69.8	Low	79.8	Confident	138 Å²	138	79 Å²	79	60%	0.6	38%	0.375	S	S	*	.	S	Bend	trans	-59.1	-31.9	-177	-174.3	177.4	178.2	179.9	0	113.6	T32 T75	T32-K77 WeakPolarHBondContact CA-O 3.43Å; T75-K77 PolarHBondContact O-N 3.27Å
78	R	72.9	Confident	79.2	Confident	140 Å²	140	80.6 Å²	80.6	53%	0.528	39%	0.387	S	S	.	.	S	Bend	trans	-137.9	118.6	175.9	-70.3	-173.8	175.7	173.3	-2.1	110.5	Y31 I76 D257	Y31-R78 WeakPolarHBondContact O-CA 3.23Å; I76-R78 VanDerWaalsContact C-N 3.25Å; I76-R78 VanDerWaalsContact CG2-O 3.3Å; I76-R78 WeakPolarHBondContact CG2-O 3.46Å; I76-R78 PolarHBondContact O-N 2.96Å; R78-D257 IonicContact CZ-OD1 3.54Å; R78-D257 IonicContact CZ-OD2 3.11Å; R78-D257 IonicContact NE-OD2 2.79Å; R78-D257 PolarHBondContact NE-OD2 3.06Å; R78-D257 VanDerWaalsContact NH2-CG 3.25Å; R78-D257 IonicContact NH2-OD1 2.8Å; R78-D257 PolarHBondContact NH2-OD1 2.87Å; R78-D257 IonicContact NH2-OD2 2.63Å; R78-D257 PolarHBondContact NH2-OD2 3.17Å
79	S	77.6	Confident	78.7	Confident	33 Å²	33	85.4 Å²	85.4	23%	0.231	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-138.7	142.4	-179.9	177	0	0	0	0	110.9	L30 Y31 L81	L30-S79 CarbonylContact C-O 3.57Å; L30-S79 WeakPolarHBondContact CA-O 3.06Å; Y31-S79 PolarHBondContact N-O 3.2Å; Y31-S79 PolarHBondContact O-N 3.36Å; S79-L81 WeakPolarHBondContact CB-O 3.5Å; S79-L81 PolarHBondContact OG-N 3.36Å; S79-L81 VanDerWaalsContact OG-N 3.07Å; S79-L81 PolarHBondContact OG-O 2.99Å
80	T	73.1	Confident	78.5	Confident	86 Å²	86	84.5 Å²	84.5	53%	0.528	40%	0.404	S	S	.	.	S	Bend	trans	-79	-9.5	170.7	53.4	0	0	0	0	112.8	A28 L30	A28-T80 HydrophobicContact CB-CG2 3.85Å; L30-T80 HydrophobicContact CD2-CG2 4.22Å
81	L	73.1	Confident	78.1	Confident	126 Å²	126	87.9 Å²	87.9	66%	0.66	43%	0.428	S	S	*	.	S	Bend	trans	-116	140.4	177.9	-63.5	173.5	0	0	0	110.3	Y31 S79	Y31-L81 VanDerWaalsContact CD2-C 3.48Å; S79-L81 WeakPolarHBondContact CB-O 3.5Å; S79-L81 PolarHBondContact OG-N 3.36Å; S79-L81 VanDerWaalsContact OG-N 3.07Å; S79-L81 PolarHBondContact OG-O 2.99Å
82	S	78.7	Confident	77.9	Confident	51 Å²	51	91.9 Å²	91.9	36%	0.357	45%	0.449	S	S	.	.			trans	-62.8	145.6	172.9	61.4	0	0	0	0	110.8	R84	S82-R84 PolarHBondContact O-N 2.04Å
83	S	78.3	Confident	77.9	Confident	27 Å²	27	92.5 Å²	92.5	19%	0.189	45%	0.452	C	S	.	.			trans	-70.7	128.9	-177	-174.2	0	0	0	0	110.5	T75 H87 S88	T75-S83 WeakPolarHBondContact CG2-OG 3.03Å; S83-H87 PolarHBondContact OG-CE1 2.88Å; S83-H87 VanDerWaalsContact OG-CE1 3.3Å; S83-H87 PolarHBondContact OG-NE2 3.14Å; S83-S88 PolarHBondContact O-OG 2.91Å
84	R	71.4	Confident	78.1	Confident	224 Å²	224	94.2 Å²	94.2	85%	0.845	46%	0.461	S	S	*	.			trans	-120.4	127.4	176.4	-64.7	-177.1	179.1	-174.8	-2.1	109.2	S82	S82-R84 PolarHBondContact O-N 2.04Å
85	G	73.8	Confident	78.6	Confident	33 Å²	33	87.7 Å²	87.7	34%	0.34	44%	0.439	S	S	.	.	S	Bend	trans	177.1	-168.7	178.8	0	0	0	0	0	113.3	H87 S88	G85-H87 VanDerWaalsContact C-N 3.26Å; G85-H87 PolarHBondContact O-N 3.13Å; G85-S88 PolarHBondContact N-OG 3.14Å; G85-S88 VanDerWaalsContact N-OG 3.11Å; G85-S88 VanDerWaalsContact O-CB 3.23Å; G85-S88 WeakPolarHBondContact O-CB 3.39Å; G85-S88 PolarHBondContact O-N 2.83Å; G85-S88 PolarHBondContact O-OG 3.18Å
86	R	69.6	Low	79.1	Confident	223 Å²	223	87.6 Å²	87.6	84%	0.842	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-63	-31.9	-179.9	-115.9	180	164.2	-179.8	-5.4	112.9	S88 F89	R86-S88 PolarHBondContact O-N 3.24Å; R86-F89 HydrophobicContact CG-CD2 4.35Å; R86-F89 HydrophobicContact CG-CE2 4.41Å; R86-F89 WeakPolarHBondContact O-CD2 3.32Å; R86-F89 PolarHBondContact O-N 3.44Å
87	H	75.1	Confident	79.9	Confident	18 Å²	18	87 Å²	87	8%	0.083	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-64.1	-26.6	174.1	60.2	-68.5	0	0	0	112.4	Y53 Y55 H72 S83 G85 F89 I90	Y53-H87 WeakPolarHBondContact O-CB 3.28Å; Y55-H87 HydrophobicContact CE2-CB 3.82Å; Y55-H87 AromaticContact CZ-CD2 4Å; Y55-H87 PolarHBondContact OH-CD2 2.93Å; Y55-H87 PolarHBondContact OH-O 2.83Å; H72-H87 AromaticContact NE2-CG 3.75Å; S83-H87 PolarHBondContact OG-CE1 2.88Å; S83-H87 VanDerWaalsContact OG-CE1 3.3Å; S83-H87 PolarHBondContact OG-NE2 3.14Å; G85-H87 VanDerWaalsContact C-N 3.26Å; G85-H87 PolarHBondContact O-N 3.13Å; H87-F89 PolarHBondContact O-N 3.1Å; H87-I90 WeakPolarHBondContact O-CB 3.48Å; H87-I90 WeakPolarHBondContact O-CG2 3.28Å; H87-I90 PolarHBondContact O-N 2.8Å
88	S	79.5	Confident	80.9	Confident	44 Å²	44	84.1 Å²	84.1	31%	0.308	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-67.6	-14.7	177.9	-49.8	0	0	0	0	114	S83 G85 R86 I90 S91	S83-S88 PolarHBondContact O-OG 2.91Å; G85-S88 PolarHBondContact N-OG 3.14Å; G85-S88 VanDerWaalsContact N-OG 3.11Å; G85-S88 VanDerWaalsContact O-CB 3.23Å; G85-S88 WeakPolarHBondContact O-CB 3.39Å; G85-S88 PolarHBondContact O-N 2.83Å; G85-S88 PolarHBondContact O-OG 3.18Å; R86-S88 PolarHBondContact O-N 3.24Å; S88-I90 PolarHBondContact O-N 2.63Å; S88-S91 PolarHBondContact O-OG 3.22Å
89	F	83.4	Confident	81.7	Confident	105 Å²	105	79.5 Å²	79.5	46%	0.461	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-76.5	-3.3	176.5	-67.2	-66.8	0	0	0	113.8	Y53 R86 H87 S91 M92	Y53-F89 HydrophobicContact CE1-CB 3.94Å; R86-F89 HydrophobicContact CG-CD2 4.35Å; R86-F89 HydrophobicContact CG-CE2 4.41Å; R86-F89 WeakPolarHBondContact O-CD2 3.32Å; R86-F89 PolarHBondContact O-N 3.44Å; H87-F89 PolarHBondContact O-N 3.1Å; F89-S91 PolarHBondContact O-N 3.45Å; F89-M92 HydrophobicContact CD1-CE 3.8Å; F89-M92 HydrophobicContact CD1-SD 3.79Å; F89-M92 HydrophobicContact CE1-CE 4.1Å; F89-M92 WeakPolarHBondContact O-CB 3.41Å; F89-M92 PolarHBondContact O-N 2.86Å
90	I	88	Confident	82.3	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-56.1	-28.1	172.1	-172.8	171.2	0	0	0	112.4	I49 Y53 Y55 F70 H87 S88 M92 E93 V96 I99	I49-I90 HydrophobicContact CG2-CD1 3.71Å; I49-I90 HydrophobicContact CG2-CG1 3.82Å; Y53-I90 HydrophobicContact CD1-CB 4.14Å; Y53-I90 HydrophobicContact CD2-CB 4.06Å; Y53-I90 HydrophobicContact CD2-CG1 4.06Å; Y53-I90 HydrophobicContact CE2-CB 4.48Å; Y53-I90 HydrophobicContact CE2-CG1 4.49Å; Y53-I90 HydrophobicContact CG-CB 3.88Å; Y53-I90 HydrophobicContact CG-CG1 4.33Å; Y55-I90 HydrophobicContact CD2-CD1 4.03Å; Y55-I90 HydrophobicContact CE2-CB 4.3Å; Y55-I90 HydrophobicContact CE2-CD1 3.9Å; Y55-I90 HydrophobicContact CE2-CG2 4.11Å; F70-I90 HydrophobicContact CD2-CD1 3.94Å; F70-I90 HydrophobicContact CE2-CD1 3.68Å; H87-I90 WeakPolarHBondContact O-CB 3.48Å; H87-I90 WeakPolarHBondContact O-CG2 3.28Å; H87-I90 PolarHBondContact O-N 2.8Å; S88-I90 PolarHBondContact O-N 2.63Å; I90-M92 PolarHBondContact O-N 3.05Å; I90-M92 VanDerWaalsContact O-N 3.13Å; I90-E93 WeakPolarHBondContact O-CB 3.26Å; I90-E93 PolarHBondContact O-N 3.25Å; I90-E93 VanDerWaalsContact O-N 3.08Å; I90-V96 HydrophobicContact CG1-CG2 3.94Å; I90-I99 HydrophobicContact CD1-CD1 4.43Å; I90-I99 HydrophobicContact CG2-CD1 3.24Å
91	S	84.8	Confident	83	Confident	71 Å²	71	78.5 Å²	78.5	50%	0.497	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-65.5	-11.2	175.1	59	0	0	0	0	114.2	S88 F89	S88-S91 PolarHBondContact O-OG 3.22Å; F89-S91 PolarHBondContact O-N 3.45Å
92	M	85.3	Confident	83.8	Confident	140 Å²	140	72.6 Å²	72.6	69%	0.69	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-92.4	-4.5	175.1	-60.2	-177.3	174.7	0	0	112.9	F89 I90	F89-M92 HydrophobicContact CD1-CE 3.8Å; F89-M92 HydrophobicContact CD1-SD 3.79Å; F89-M92 HydrophobicContact CE1-CE 4.1Å; F89-M92 WeakPolarHBondContact O-CB 3.41Å; F89-M92 PolarHBondContact O-N 2.86Å; I90-M92 PolarHBondContact O-N 3.05Å; I90-M92 VanDerWaalsContact O-N 3.13Å
93	E	88.9	Confident	84.1	Confident	29 Å²	29	71.6 Å²	71.6	14%	0.136	35%	0.35	C	S	.	.	S	Bend	trans	-68.3	129.5	175.7	-81.3	-67.4	165.8	0	0	111	I49 K52 Y53 I90 K95 V96	I49-E93 HydrophobicContact CG2-CG 4.28Å; K52-E93 WeakPolarHBondContact CD-OE1 3.46Å; K52-E93 VanDerWaalsContact CE-OE1 3.27Å; K52-E93 WeakPolarHBondContact CE-OE1 3.43Å; K52-E93 IonicContact NZ-OE1 2.63Å; K52-E93 PolarHBondContact NZ-OE1 2.9Å; Y53-E93 HydrophobicContact CD2-CG 4.43Å; Y53-E93 HydrophobicContact CE2-CG 3.41Å; Y53-E93 VanDerWaalsContact CE2-CG 3.41Å; Y53-E93 WeakPolarHBondContact CE2-OE1 3.48Å; Y53-E93 PolarHBondContact OH-OE1 2.85Å; I90-E93 WeakPolarHBondContact O-CB 3.26Å; I90-E93 PolarHBondContact O-N 3.25Å; I90-E93 VanDerWaalsContact O-N 3.08Å; E93-K95 PolarHBondContact O-N 2.86Å; E93-V96 HydrophobicContact CB-CB 3.97Å; E93-V96 HydrophobicContact CB-CG2 3.54Å; E93-V96 HydrophobicContact CG-CG2 4.34Å; E93-V96 PolarHBondContact O-N 3.4Å
94	P	87.1	Confident	84.1	Confident	124 Å²	124	71.9 Å²	71.9	81%	0.805	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.8	-177.3	-25.1	33.5	0	0	0	114.5
95	K	88.6	Confident	84.3	Confident	90 Å²	90	62.9 Å²	62.9	39%	0.391	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.1	-179.8	-63.6	-165.7	174.9	-160.2	0	113.8	I39 A40 V45 I49 E93 E97	I39-K95 WeakPolarHBondContact CA-O 3.32Å; I39-K95 HydrophobicContact CG2-CB 4.46Å; A40-K95 PolarHBondContact N-O 3.09Å; V45-K95 HydrophobicContact CG1-CB 4.47Å; V45-K95 HydrophobicContact CG1-CD 3.59Å; I49-K95 HydrophobicContact CD1-CB 4.13Å; E93-K95 PolarHBondContact O-N 2.86Å; K95-E97 PolarHBondContact O-N 2.9Å
96	V	88.6	Confident	84.2	Confident	14 Å²	14	68 Å²	68	9%	0.085	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	101.5	176.2	175.2	0	0	0	0	107.6	V37 I39 I49 I90 E93 I99	V37-V96 HydrophobicContact CG1-CG1 3.78Å; V37-V96 HydrophobicContact CG1-CG2 4.41Å; I39-V96 HydrophobicContact CD1-CG2 4.3Å; I39-V96 HydrophobicContact CG1-CG2 4.12Å; I49-V96 HydrophobicContact CD1-CG2 4.21Å; I49-V96 HydrophobicContact CG2-CG2 4.01Å; I90-V96 HydrophobicContact CG1-CG2 3.94Å; E93-V96 HydrophobicContact CB-CB 3.97Å; E93-V96 HydrophobicContact CB-CG2 3.54Å; E93-V96 HydrophobicContact CG-CG2 4.34Å; E93-V96 PolarHBondContact O-N 3.4Å; V96-I99 HydrophobicContact CG1-CB 4.41Å
97	E	90.1	Very high	84.7	Confident	111 Å²	111	58.7 Å²	58.7	52%	0.519	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-30.1	-177.8	-63.9	-177.8	165.5	0	0	111.5	R38 K95	R38-E97 WeakPolarHBondContact CD-OE2 3.43Å; R38-E97 HydrophobicContact CG-CB 4.35Å; R38-E97 IonicContact CZ-OE2 3.57Å; R38-E97 IonicContact NE-OE2 3.13Å; R38-E97 PolarHBondContact NE-OE2 3.38Å; R38-E97 IonicContact NH2-OE2 2.81Å; R38-E97 PolarHBondContact NH2-OE2 3.5Å; R38-E97 PolarHBondContact O-N 2.71Å; K95-E97 PolarHBondContact O-N 2.9Å
98	W	91.3	Very high	84.1	Confident	77 Å²	77	60.4 Å²	60.4	29%	0.292	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	147.7	-177.8	173.3	91	0	0	0	111.3	A36 V37 R38 E100 L296	A36-W98 HydrophobicContact CB-CH2 3.84Å; A36-W98 HydrophobicContact CB-CZ3 3.62Å; A36-W98 VanDerWaalsContact O-CZ3 3.3Å; A36-W98 WeakPolarHBondContact O-CZ3 3.41Å; V37-W98 WeakPolarHBondContact CA-O 3.48Å; V37-W98 WeakPolarHBondContact CG1-O 3.49Å; R38-W98 HydrophobicContact CB-CB 4.04Å; R38-W98 HydrophobicContact CB-CE3 4.23Å; R38-W98 PolarHBondContact N-O 2.87Å; W98-E100 HydrophobicContact CH2-CB 3.53Å; W98-E100 HydrophobicContact CZ2-CB 3.24Å; W98-E100 HydrophobicContact CZ2-CG 4.25Å; W98-E100 WeakPolarHBondContact CZ2-OE2 3.45Å; W98-E100 HydrophobicContact CZ3-CB 4.35Å; W98-L296 HydrophobicContact CH2-CD1 4.44Å; W98-L296 HydrophobicContact CH2-CD2 4.15Å; W98-L296 HydrophobicContact CH2-CG 4.38Å; W98-L296 HydrophobicContact CZ3-CD2 4.3Å
99	I	90	Very high	83.6	Confident	44 Å²	44	60.7 Å²	60.7	23%	0.226	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	133.8	173.1	178.6	164.8	0	0	0	110.8	W35 A36 V37 I90 V96	W35-I99 HydrophobicContact CG-CD1 4.29Å; W35-I99 HydrophobicContact CG-CG1 4.46Å; A36-I99 WeakPolarHBondContact O-CA 3.26Å; V37-I99 HydrophobicContact CG1-CB 4.21Å; V37-I99 HydrophobicContact CG1-CG1 4.5Å; V37-I99 HydrophobicContact CG2-CD1 3.89Å; V37-I99 HydrophobicContact CG2-CG1 3.97Å; I90-I99 HydrophobicContact CD1-CD1 4.43Å; I90-I99 HydrophobicContact CG2-CD1 3.24Å; V96-I99 HydrophobicContact CG1-CB 4.41Å
100	E	88.8	Confident	82.7	Confident	79 Å²	79	55.8 Å²	55.8	37%	0.369	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.1	173.4	-174.2	172.7	169.2	0	0	112.1	W35 A36 W98 Q102	W35-E100 WeakPolarHBondContact CA-O 3.4Å; A36-E100 PolarHBondContact N-O 3.35Å; A36-E100 PolarHBondContact O-N 2.84Å; W98-E100 HydrophobicContact CH2-CB 3.53Å; W98-E100 HydrophobicContact CZ2-CB 3.24Å; W98-E100 HydrophobicContact CZ2-CG 4.25Å; W98-E100 WeakPolarHBondContact CZ2-OE2 3.45Å; W98-E100 HydrophobicContact CZ3-CB 4.35Å; E100-Q102 PolarHBondContact O-N 3.33Å; E100-Q102 PolarHBondContact O-NE2 3.28Å
101	Q	88.8	Confident	80.3	Confident	18 Å²	18	57.9 Å²	57.9	8%	0.084	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124	170.8	-170.2	176.6	12.2	0	0	109.5	Y31 T32 W35	Y31-Q101 HydrophobicContact CD1-CB 4.3Å; Y31-Q101 HydrophobicContact CD1-CG 4.17Å; T32-Q101 WeakPolarHBondContact O-CG 3.35Å; T32-Q101 PolarHBondContact O-NE2 3.49Å; W35-Q101 HydrophobicContact CD2-CG 4.23Å; W35-Q101 HydrophobicContact CG-CB 4.48Å; W35-Q101 HydrophobicContact CH2-CG 4.48Å; W35-Q101 HydrophobicContact CZ2-CB 4.41Å; W35-Q101 HydrophobicContact CZ2-CG 3.8Å
102	Q	90.2	Very high	78.3	Confident	3 Å²	3	59 Å²	59	1%	0.014	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.9	-175.6	-63	-61.7	-64.5	0	0	111.1	T32 H34 E100 T259 M261	T32-Q102 WeakPolarHBondContact CB-O 3.38Å; T32-Q102 WeakPolarHBondContact CG2-O 3.49Å; T32-Q102 PolarHBondContact N-O 3.29Å; T32-Q102 PolarHBondContact OG1-O 3.38Å; H34-Q102 HydrophobicContact CB-CB 4.33Å; H34-Q102 HydrophobicContact CB-CG 4.4Å; H34-Q102 WeakPolarHBondContact O-CB 3.43Å; H34-Q102 PolarHBondContact O-N 3.05Å; E100-Q102 PolarHBondContact O-N 3.33Å; E100-Q102 PolarHBondContact O-NE2 3.28Å; Q102-T259 HydrophobicContact CB-CG2 4.25Å; Q102-M261 HydrophobicContact CG-CB 4.28Å; Q102-M261 VanDerWaalsContact OE1-CB 3.3Å
103	V	84.4	Confident	76.1	Confident	30 Å²	30	60.6 Å²	60.6	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.5	179.8	179.7	0	0	0	0	109	R29 L30 Y31 K105	R29-V103 HydrophobicContact CB-CG1 3.94Å; R29-V103 HydrophobicContact CG-CG1 4.38Å; L30-V103 WeakPolarHBondContact O-CA 3.45Å; L30-V103 WeakPolarHBondContact O-CG1 3.25Å; Y31-V103 HydrophobicContact CD1-CG2 3.63Å; Y31-V103 HydrophobicContact CE1-CG2 3.7Å; Y31-V103 HydrophobicContact CG-CG2 4.29Å; V103-K105 PolarHBondContact O-N 2.99Å
104	V	78.4	Confident	73.5	Confident	33 Å²	33	61.6 Å²	61.6	20%	0.2	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-66.7	119.2	174.1	-175.2	0	0	0	0	109.2	L30 T32 D257	L30-V104 HydrophobicContact CB-CB 4.23Å; L30-V104 HydrophobicContact CB-CG2 4.28Å; L30-V104 PolarHBondContact O-N 3.24Å; T32-V104 HydrophobicContact CG2-CG2 3.64Å; V104-D257 HydrophobicContact CG1-CB 4.1Å; V104-D257 HydrophobicContact CG2-CB 4.07Å
105	K	76.6	Confident	70.9	Confident	34 Å²	34	61.3 Å²	61.3	15%	0.148	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-94.3	138.6	170.4	-56.4	-165.9	-167.6	167.7	0	108.6	V103 V258 D260 E263 A294	V103-K105 PolarHBondContact O-N 2.99Å; K105-V258 WeakPolarHBondContact CA-O 3.42Å; K105-V258 PolarHBondContact N-O 3.18Å; K105-D260 IonicContact NZ-OD1 3.36Å; K105-D260 PolarHBondContact NZ-OD1 3.01Å; K105-E263 IonicContact NZ-OE2 3.28Å; K105-E263 PolarHBondContact NZ-OE2 3.33Å; K105-A294 VanDerWaalsContact NZ-CB 3.32Å
106	R	71.1	Confident	68.1	Low	141 Å²	141	63 Å²	63	53%	0.532	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-84.5	119.9	171.2	-169.3	166.6	73.5	165.5	9.6	107.8	D284 D286	R106-D284 IonicContact CZ-OD1 3.79Å; R106-D284 VanDerWaalsContact CZ-OD1 3.3Å; R106-D284 IonicContact CZ-OD2 3.48Å; R106-D284 IonicContact NE-OD1 3.66Å; R106-D284 PolarHBondContact NE-OD1 3.09Å; R106-D284 IonicContact NE-OD2 2.83Å; R106-D284 PolarHBondContact NE-OD2 3.41Å; R106-D284 IonicContact NH2-OD1 3.42Å; R106-D284 PolarHBondContact NH2-OD1 2.91Å; R106-D284 IonicContact NH2-OD2 3.14Å; R106-D284 PolarHBondContact NH2-OD2 3.31Å; R106-D286 IonicContact NH2-OD2 2.71Å
107	R	78.9	Confident	65.4	Low	27 Å²	27	67.8 Å²	67.8	10%	0.102	34%	0.34	C	S	.	.			trans	-119.6	136.7	169.6	-62.1	-58.2	174.3	-125	9.6	108.6	L254 V258 E263 W281 G282 D291 Y335	R107-L254 HydrophobicContact CB-CD2 4.2Å; R107-V258 HydrophobicContact CB-CG2 4.32Å; R107-V258 HydrophobicContact CG-CB 4.08Å; R107-V258 HydrophobicContact CG-CG1 3.79Å; R107-V258 HydrophobicContact CG-CG2 4.32Å; R107-E263 IonicContact CZ-OE1 2.62Å; R107-E263 IonicContact NE-OE1 3.94Å; R107-E263 PolarHBondContact NE-OE1 2.64Å; R107-E263 IonicContact NH2-OE1 3.94Å; R107-E263 PolarHBondContact NH2-OE1 2.63Å; R107-E263 IonicContact NH2-OE2 2.83Å; R107-W281 HydrophobicContact CG-CE3 4.42Å; R107-G282 WeakPolarHBondContact CD-O 3.45Å; R107-D291 IonicContact CZ-OD2 3.86Å; R107-D291 IonicContact NH1-OD2 2.72Å; R107-D291 PolarHBondContact NH1-OD2 3.45Å; R107-D291 IonicContact NH2-OD2 2.73Å; R107-Y335 PolarHBondContact NH2-OH 3.28Å
108	I	63.7	Low	62.6	Low	55 Å²	55	71.2 Å²	71.2	28%	0.282	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.3	174.9	56.6	163.8	0	0	0	108.6	G282 P283 D284 D285	I108-G282 PolarHBondContact N-O 3.21Å; I108-P283 WeakPolarHBondContact CG1-O 3.09Å; I108-D284 WeakPolarHBondContact CG2-OD1 3.48Å; I108-D285 HydrophobicContact CD1-CB 3.89Å; I108-D285 VanDerWaalsContact CD1-N 3.28Å
109	K	68.8	Low	59.7	Low	49 Å²	49	72.6 Å²	72.6	21%	0.213	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.4	163.7	-57.4	177.5	-162.4	-178.6	0	107.1	D111 D181 E218 N219 H221 L254	K109-D111 PolarHBondContact O-N 3.24Å; K109-D181 HydrophobicContact CD-CB 4.22Å; K109-D181 VanDerWaalsContact CE-CB 3.48Å; K109-D181 VanDerWaalsContact NZ-CG 3.34Å; K109-D181 IonicContact NZ-OD2 3.77Å; K109-D181 PolarHBondContact NZ-OD2 2.87Å; K109-E218 PolarHBondContact NZ-O 3.38Å; K109-N219 PolarHBondContact NZ-OD1 2.86Å; K109-H221 HydrophobicContact CD-CB 4.28Å; K109-L254 HydrophobicContact CD-CD1 4.48Å; K109-L254 HydrophobicContact CG-CB 4.38Å; K109-L254 HydrophobicContact CG-CD1 3.66Å
110	R	65.3	Low	56.8	Low	2 Å²	2	79.9 Å²	79.9	1%	0.008	42%	0.415	C	S	.	.			trans	-83.2	51.5	-180	-75.7	173.5	179.7	158.3	-5.5	111.8	S280 D285 A319 N322 D333 S395	R110-S280 VanDerWaalsContact CB-O 3.29Å; R110-S280 WeakPolarHBondContact CB-O 3.44Å; R110-S280 WeakPolarHBondContact CG-O 3.44Å; R110-S280 PolarHBondContact N-O 3.39Å; R110-S280 VanDerWaalsContact N-O 3.12Å; R110-D285 IonicContact NE-OD1 3.57Å; R110-D285 IonicContact NE-OD2 3.92Å; R110-D285 PolarHBondContact NE-OD2 2.8Å; R110-D285 IonicContact NH2-OD1 3.54Å; R110-A319 VanDerWaalsContact NH1-C 3.28Å; R110-A319 PolarHBondContact NH1-O 3.43Å; R110-N322 WeakPolarHBondContact CA-ND2 3.12Å; R110-N322 VanDerWaalsContact CB-ND2 3.35Å; R110-N322 WeakPolarHBondContact CB-ND2 3.28Å; R110-N322 PolarHBondContact O-ND2 2.8Å; R110-D333 IonicContact CZ-OD2 2.63Å; R110-D333 IonicContact NH2-OD2 2.95Å; R110-D333 PolarHBondContact NH2-OD2 3.33Å; R110-S395 WeakPolarHBondContact CA-OG 3.45Å; R110-S395 WeakPolarHBondContact CB-OG 3.23Å; R110-S395 WeakPolarHBondContact O-CB 3.29Å; R110-S395 PolarHBondContact O-OG 3.2Å
111	D	37.3	Very low	53.9	Low	45 Å²	45	82.5 Å²	82.5	24%	0.241	44%	0.437	C	S	.	.			trans	-99.5	119.3	-178.9	-113.2	-19.5	0	0	0	110.9	K109 H221 H391	K109-D111 PolarHBondContact O-N 3.24Å; D111-H221 IonicContact OD1-CD2 2.64Å; D111-H221 PolarHBondContact OD1-CD2 3.46Å; D111-H221 IonicContact OD1-CG 3.8Å; D111-H221 IonicContact OD1-NE2 3.78Å; D111-H221 VanDerWaalsContact OD2-CB 3.28Å; D111-H221 WeakPolarHBondContact OD2-CB 3.35Å; D111-H221 IonicContact OD2-CD2 3.71Å; D111-H221 PolarHBondContact OD2-CD2 2.99Å; D111-H221 IonicContact OD2-CG 2.63Å; D111-H391 IonicContact OD1-CE1 3.42Å; D111-H391 IonicContact OD1-ND1 2.81Å
112	Y	43	Very low	50.9	Low	94 Å²	94	86.9 Å²	86.9	37%	0.369	47%	0.469	S	S	.	.			trans	-88.1	119.1	174.3	179.5	-108.1	0	0	0	111.3	P114 W355 T392	Y112-P114 WeakPolarHBondContact O-CD 3.4Å; Y112-W355 HydrophobicContact CD1-CH2 4.4Å; Y112-W355 AromaticContact CD1-CZ2 3.74Å; Y112-W355 HydrophobicContact CD1-CZ2 3.74Å; Y112-W355 AromaticContact CD2-CH2 3.21Å; Y112-W355 HydrophobicContact CD2-CH2 3.21Å; Y112-W355 AromaticContact CD2-CZ2 3.43Å; Y112-W355 HydrophobicContact CD2-CZ2 3.43Å; Y112-W355 VanDerWaalsContact CD2-CZ2 3.43Å; Y112-W355 HydrophobicContact CD2-CZ3 4.47Å; Y112-W355 HydrophobicContact CE1-CH2 4.26Å; Y112-W355 AromaticContact CE1-CZ2 3.53Å; Y112-W355 HydrophobicContact CE1-CZ2 3.53Å; Y112-W355 AromaticContact CE2-CH2 3.02Å; Y112-W355 HydrophobicContact CE2-CH2 3.02Å; Y112-W355 AromaticContact CE2-CZ2 3.2Å; Y112-W355 HydrophobicContact CE2-CZ2 3.2Å; Y112-W355 HydrophobicContact CE2-CZ3 4.13Å; Y112-W355 AromaticContact CG-CH2 3.9Å; Y112-W355 HydrophobicContact CG-CH2 3.9Å; Y112-W355 AromaticContact CG-CZ2 3.66Å; Y112-W355 HydrophobicContact CG-CZ2 3.66Å; Y112-W355 AromaticContact CZ-CH2 3.58Å; Y112-W355 AromaticContact CZ-CZ2 3.22Å; Y112-T392 WeakPolarHBondContact CB-OG1 3.25Å; Y112-T392 PolarHBondContact O-OG1 2.9Å
113	K	37.5	Very low	48.2	Very low	174 Å²	174	93 Å²	93	76%	0.757	51%	0.509	S	S	*	.			trans	-66.8	113.7	176.9	-71	-171.1	177.7	-175	0	110.9
114	P	35.5	Very low	45.8	Very low	49 Å²	49	96 Å²	96	32%	0.318	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-77.3	151.1	177.1	-8.5	26	0	0	0	112.6	Y112	Y112-P114 WeakPolarHBondContact O-CD 3.4Å
115	V	31.6	Very low	43.4	Very low	119 Å²	119	103.9 Å²	103.9	72%	0.721	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-81.9	143.2	159.6	179.1	0	0	0	0	108.2
116	P	29.7	Very low	41.1	Very low	124 Å²	124	109.6 Å²	109.6	81%	0.805	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-80.2	137.2	-168.6	12.8	-1.4	0	0	0	113.4
117	P	33.2	Very low	39	Very low	116 Å²	116	108.4 Å²	108.4	75%	0.753	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-103.4	155.2	163.3	3.9	17.7	0	0	0	113.6
118	L	30.8	Very low	36.6	Very low	182 Å²	182	113.8 Å²	113.8	95%	0.953	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-76.5	140.5	-177.8	-77.4	143.2	0	0	0	113.1
119	S	29.8	Very low	35.1	Very low	106 Å²	106	115.5 Å²	115.5	74%	0.741	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-83	138.2	-177.5	52.9	0	0	0	0	114.2
120	Q	28.6	Very low	33.3	Very low	198 Å²	198	121.7 Å²	121.7	93%	0.925	71%	0.705	S	S	*	*			trans	-145.1	137.5	148.9	-71.4	-167.9	-3	0	0	111.2
121	T	28.2	Very low	32.1	Very low	134 Å²	134	129.6 Å²	129.6	82%	0.822	75%	0.747	S	S	*	*			trans	-119.5	161.2	179.8	44.6	0	0	0	0	111
122	S	27.4	Very low	32.9	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	76%	0.763	S	S	*	*			trans	125.9	162.2	147.9	-43.2	0	0	0	0	114.3
123	P	33.6	Very low	34.1	Very low	130 Å²	130	130.6 Å²	130.6	84%	0.844	76%	0.759	S	S	*	*				-127.1	176.9	-84.9	31.7	-10.6	0	0	0	114.9
124	A	32.8	Very low	36	Very low	93 Å²	93	129.9 Å²	129.9	77%	0.769	76%	0.755	S	S	*	*			trans	-68.5	162.1	-167.6	0	0	0	0	0	118.4
125	Q	28.8	Very low	38.4	Very low	199 Å²	199	128.8 Å²	128.8	93%	0.93	75%	0.745	S	S	*	*			trans	-156.5	151.5	144.2	-107.8	176.5	18	0	0	113.8
126	N	27.3	Very low	40.9	Very low	154 Å²	154	126.4 Å²	126.4	82%	0.824	73%	0.728	S	S	*	*			trans	-80	157	-156.9	-63.1	-41.4	0	0	0	117.7
127	S	26.8	Very low	43.8	Very low	117 Å²	117	120.8 Å²	120.8	82%	0.818	69%	0.692	S	S	*	*				-172.5	117.2	121.9	45.2	0	0	0	0	116.2
128	V	28.5	Very low	46.5	Very low	140 Å²	140	118.6 Å²	118.6	85%	0.848	68%	0.683	S	S	*	*			trans	41.2	102.5	138.7	-162.9	0	0	0	0	123
129	A	33.3	Very low	49.4	Very low	91 Å²	91	113.7 Å²	113.7	75%	0.752	65%	0.654	S	S	*	*				51.2	109.6	129	0	0	0	0	0	122.8
130	Q	31.4	Very low	52.2	Low	179 Å²	179	109.1 Å²	109.1	84%	0.836	62%	0.621	S	S	*	*	S	Bend	trans	-153.4	114.3	131.7	-100.7	173.9	10.6	0	0	109.8	N132	Q130-N132 PolarHBondContact O-N 3.17Å
131	N	39.3	Very low	55	Low	168 Å²	168	103.9 Å²	103.9	90%	0.898	61%	0.606	S	S	*	*	S	Bend	trans	41.1	41.1	166.2	-79.1	-0.8	0	0	0	119.6
132	N	54.5	Low	57.8	Low	108 Å²	108	99.8 Å²	99.8	58%	0.578	58%	0.583	S	S	*	*			trans	-106.6	125.4	175.4	-77.2	-15.1	0	0	0	111.4	Q130 F134	Q130-N132 PolarHBondContact O-N 3.17Å; N132-F134 PolarHBondContact O-N 3.06Å; N132-F134 VanDerWaalsContact O-N 3.11Å
133	I	66.8	Low	60.8	Low	52 Å²	52	94.6 Å²	94.6	27%	0.267	55%	0.547	S	S	.	.			trans	-60.5	112.3	167.7	-64.9	170.9	0	0	0	106.5	Y135 M162 W165 K166	I133-Y135 HydrophobicContact CG2-CD2 4.1Å; I133-Y135 HydrophobicContact CG2-CE1 4.42Å; I133-Y135 HydrophobicContact CG2-CE2 3.36Å; I133-M162 HydrophobicContact CB-CE 3.6Å; I133-M162 HydrophobicContact CD1-CE 4.25Å; I133-M162 HydrophobicContact CG1-CE 4.43Å; I133-M162 HydrophobicContact CG2-CE 3.93Å; I133-W165 HydrophobicContact CD1-CB 4.1Å; I133-W165 HydrophobicContact CG2-CE3 4.48Å; I133-K166 HydrophobicContact CD1-CG 3.68Å
134	F	77.9	Confident	63.4	Low	158 Å²	158	89 Å²	89	69%	0.693	51%	0.509	S	S	*	.			trans	-127	130	179.4	-178.7	-91	0	0	0	108.7	N132 W140	N132-F134 PolarHBondContact O-N 3.06Å; N132-F134 VanDerWaalsContact O-N 3.11Å; F134-W140 AromaticContact CD2-CD1 3.98Å; F134-W140 AromaticContact CD2-NE1 3.86Å; F134-W140 AromaticContact CE2-CD1 3.92Å
135	Y	85.3	Confident	66.1	Low	26 Å²	26	84.7 Å²	84.7	10%	0.102	47%	0.472	C	S	.	.			trans	-111.9	145.1	176.7	-61.1	-71.3	0	0	0	110.6	I133 D137 W140 W165 A233 N234 V240 Y244	I133-Y135 HydrophobicContact CG2-CD2 4.1Å; I133-Y135 HydrophobicContact CG2-CE1 4.42Å; I133-Y135 HydrophobicContact CG2-CE2 3.36Å; Y135-D137 WeakPolarHBondContact CB-OD2 3.49Å; Y135-D137 PolarHBondContact O-N 2.83Å; Y135-W140 HydrophobicContact CD2-CD2 4.13Å; Y135-W140 AromaticContact CD2-CE3 3.87Å; Y135-W140 HydrophobicContact CD2-CE3 3.87Å; Y135-W140 AromaticContact CD2-CH2 3.77Å; Y135-W140 HydrophobicContact CD2-CH2 3.77Å; Y135-W140 AromaticContact CD2-CZ2 3.96Å; Y135-W140 HydrophobicContact CD2-CZ2 3.96Å; Y135-W140 AromaticContact CD2-CZ3 3.69Å; Y135-W140 HydrophobicContact CD2-CZ3 3.69Å; Y135-W140 HydrophobicContact CE2-CH2 4.12Å; Y135-W140 HydrophobicContact CE2-CZ3 4.23Å; Y135-W165 HydrophobicContact CD2-CZ3 4.38Å; Y135-W165 AromaticContact CE2-CE3 3.97Å; Y135-W165 HydrophobicContact CE2-CE3 3.97Å; Y135-W165 HydrophobicContact CE2-CH2 4.32Å; Y135-W165 AromaticContact CE2-CZ3 3.58Å; Y135-W165 HydrophobicContact CE2-CZ3 3.58Å; Y135-A233 HydrophobicContact CD1-CB 3.98Å; Y135-A233 HydrophobicContact CE1-CB 3.86Å; Y135-N234 HydrophobicContact CD1-CB 4.02Å; Y135-V240 HydrophobicContact CD2-CB 4.49Å; Y135-V240 HydrophobicContact CD2-CG1 4.29Å; Y135-V240 HydrophobicContact CD2-CG2 3.8Å; Y135-V240 HydrophobicContact CE2-CG1 4.22Å; Y135-V240 HydrophobicContact CG-CG2 3.87Å; Y135-Y244 WeakPolarHBondContact OH-CE1 3.13Å; Y135-Y244 VanDerWaalsContact OH-CZ 3.25Å; Y135-Y244 PolarHBondContact OH-OH 2.96Å
136	N	85.9	Confident	68.9	Low	69 Å²	69	75.3 Å²	75.3	37%	0.369	43%	0.429	S	S	.	.			trans	-77.8	2.1	-178	67.9	5.9	0	0	0	113.8	N234 N235 S236	N136-N234 PolarHBondContact ND2-O 3Å; N136-N234 PolarHBondContact ND2-OD1 3.09Å; N136-N234 WeakPolarHBondContact OD1-CA 3.49Å; N136-N234 PolarHBondContact OD1-O 2.87Å; N136-N234 PolarHBondContact OD1-OD1 2.86Å; N136-N235 PolarHBondContact OD1-N 3.08Å; N136-S236 PolarHBondContact ND2-OG 3.01Å; N136-S236 VanDerWaalsContact ND2-OG 3.11Å; N136-S236 PolarHBondContact OD1-N 2.83Å
137	D	90.7	Very high	71.3	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.032	40%	0.396	C	S	.	.			trans	-62.6	137.8	-175.9	-58.6	-70	0	0	0	112.2	Y135 K139 W140 N234 N235 S236 H237 V240	Y135-D137 WeakPolarHBondContact CB-OD2 3.49Å; Y135-D137 PolarHBondContact O-N 2.83Å; D137-K139 PolarHBondContact O-N 2.87Å; D137-K139 VanDerWaalsContact O-N 3.09Å; D137-W140 HydrophobicContact CB-CB 4.35Å; D137-W140 WeakPolarHBondContact O-CB 3.47Å; D137-W140 PolarHBondContact O-N 3.03Å; D137-N234 PolarHBondContact OD1-N 3.25Å; D137-N234 WeakPolarHBondContact OD2-CA 3.3Å; D137-N234 PolarHBondContact OD2-N 3.41Å; D137-N235 PolarHBondContact OD1-N 2.69Å; D137-N235 VanDerWaalsContact OD1-N 3.1Å; D137-N235 PolarHBondContact OD1-OD1 2.93Å; D137-S236 PolarHBondContact OD1-N 2.87Å; D137-H237 CarbonylContact C-O 3.58Å; D137-H237 VanDerWaalsContact CA-O 3.3Å; D137-H237 WeakPolarHBondContact CA-O 3.13Å; D137-H237 VanDerWaalsContact CB-O 3.24Å; D137-H237 WeakPolarHBondContact CB-O 3.17Å; D137-V240 HydrophobicContact CB-CG2 4.03Å; D137-V240 WeakPolarHBondContact OD2-CG2 3.49Å
138	A	89.1	Confident	73.2	Confident	70 Å²	70	65.2 Å²	65.2	58%	0.579	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.4	-162.2	0	0	0	0	0	114	H237 C238	A138-H237 PolarHBondContact N-O 2.87Å; A138-C238 PolarHBondContact N-O 3.19Å
139	K	91.2	Very high	74.4	Confident	79 Å²	79	61.5 Å²	61.5	34%	0.343	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	6.5	179	-58.2	-64	-172	173.7	0	113.3	D137 S141 S142 M143 C238 I239 I379	D137-K139 PolarHBondContact O-N 2.87Å; D137-K139 VanDerWaalsContact O-N 3.09Å; K139-S141 VanDerWaalsContact C-N 3.3Å; K139-S141 PolarHBondContact O-N 2.89Å; K139-S142 WeakPolarHBondContact O-CB 3.45Å; K139-S142 PolarHBondContact O-N 2.89Å; K139-M143 WeakPolarHBondContact O-CG 3.37Å; K139-C238 WeakPolarHBondContact CA-O 3.37Å; K139-C238 WeakPolarHBondContact CB-O 3.39Å; K139-C238 PolarHBondContact N-O 3.45Å; K139-I239 HydrophobicContact CB-CG2 3.86Å; K139-I379 HydrophobicContact CB-CG2 3.85Å; K139-I379 HydrophobicContact CG-CG2 4.07Å
140	W	89.6	Confident	74.9	Confident	11 Å²	11	63.4 Å²	63.4	4%	0.042	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-46.8	-51.4	-178.4	172.8	-115.2	0	0	0	112.2	F134 Y135 D137 S142 M143 I146 H147 M162 W165 V240	F134-W140 AromaticContact CD2-CD1 3.98Å; F134-W140 AromaticContact CD2-NE1 3.86Å; F134-W140 AromaticContact CE2-CD1 3.92Å; Y135-W140 HydrophobicContact CD2-CD2 4.13Å; Y135-W140 AromaticContact CD2-CE3 3.87Å; Y135-W140 HydrophobicContact CD2-CE3 3.87Å; Y135-W140 AromaticContact CD2-CH2 3.77Å; Y135-W140 HydrophobicContact CD2-CH2 3.77Å; Y135-W140 AromaticContact CD2-CZ2 3.96Å; Y135-W140 HydrophobicContact CD2-CZ2 3.96Å; Y135-W140 AromaticContact CD2-CZ3 3.69Å; Y135-W140 HydrophobicContact CD2-CZ3 3.69Å; Y135-W140 HydrophobicContact CE2-CH2 4.12Å; Y135-W140 HydrophobicContact CE2-CZ3 4.23Å; D137-W140 HydrophobicContact CB-CB 4.35Å; D137-W140 WeakPolarHBondContact O-CB 3.47Å; D137-W140 PolarHBondContact O-N 3.03Å; W140-S142 PolarHBondContact O-N 2.91Å; W140-M143 HydrophobicContact CE3-SD 4.07Å; W140-M143 WeakPolarHBondContact O-CB 3.38Å; W140-M143 PolarHBondContact O-N 2.82Å; W140-M143 VanDerWaalsContact O-N 3.12Å; W140-I146 HydrophobicContact CH2-CG2 4.08Å; W140-I146 HydrophobicContact CZ3-CG2 4.16Å; W140-H147 AromaticContact CD2-NE2 3.44Å; W140-H147 AromaticContact CE2-CD2 3.72Å; W140-H147 AromaticContact CE2-CE1 3.84Å; W140-H147 AromaticContact CE2-NE2 3.31Å; W140-H147 VanDerWaalsContact CE2-NE2 3.31Å; W140-H147 AromaticContact CE3-NE2 3.73Å; W140-H147 AromaticContact CG-NE2 3.99Å; W140-H147 AromaticContact CH2-CD2 3.26Å; W140-H147 WeakPolarHBondContact CH2-CD2 3.24Å; W140-H147 AromaticContact CH2-NE2 3.71Å; W140-H147 AromaticContact CZ2-CD2 3.34Å; W140-H147 WeakPolarHBondContact CZ2-CD2 3.31Å; W140-H147 AromaticContact CZ2-CG 3.91Å; W140-H147 AromaticContact CZ2-NE2 3.49Å; W140-H147 WeakPolarHBondContact CZ2-NE2 3.45Å; W140-H147 AromaticContact CZ3-CD2 3.65Å; W140-H147 AromaticContact CZ3-NE2 3.86Å; W140-H147 AromaticContact NE1-CE1 3.91Å; W140-H147 AromaticContact NE1-NE2 3.8Å; W140-H147 PolarHBondContact O-CE1 2.95Å; W140-H147 VanDerWaalsContact O-CE1 3.24Å; W140-H147 PolarHBondContact O-NE2 3.42Å; W140-M162 HydrophobicContact CH2-CE 4.24Å; W140-M162 HydrophobicContact CH2-SD 3.8Å; W140-M162 HydrophobicContact CZ2-CE 4.22Å; W140-M162 HydrophobicContact CZ2-SD 4.33Å; W140-W165 HydrophobicContact CH2-CH2 4.29Å; W140-W165 AromaticContact CH2-CZ3 3.62Å; W140-W165 HydrophobicContact CH2-CZ3 3.62Å; W140-W165 HydrophobicContact CZ3-CH2 4.05Å; W140-W165 AromaticContact CZ3-CZ3 3.82Å; W140-W165 HydrophobicContact CZ3-CZ3 3.82Å; W140-V240 HydrophobicContact CE3-CB 4.11Å; W140-V240 HydrophobicContact CE3-CG2 3.74Å; W140-V240 HydrophobicContact CZ3-CB 4.11Å; W140-V240 HydrophobicContact CZ3-CG2 4.14Å
141	S	86.3	Confident	75.6	Confident	87 Å²	87	62.4 Å²	62.4	61%	0.608	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.2	-18.1	-179	60.4	0	0	0	0	115.2	K139	K139-S141 VanDerWaalsContact C-N 3.3Å; K139-S141 PolarHBondContact O-N 2.89Å
142	S	87.9	Confident	75.8	Confident	49 Å²	49	58.6 Å²	58.6	34%	0.343	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-94.8	-9.5	-177.9	-55.5	0	0	0	0	113	K139 W140 W144 I379	K139-S142 WeakPolarHBondContact O-CB 3.45Å; K139-S142 PolarHBondContact O-N 2.89Å; W140-S142 PolarHBondContact O-N 2.91Å; S142-W144 PolarHBondContact O-N 3.25Å; S142-I379 VanDerWaalsContact C-CD1 3.46Å; S142-I379 VanDerWaalsContact CB-CD1 3.45Å; S142-I379 WeakPolarHBondContact O-CD1 3.13Å
143	M	88.9	Confident	74.8	Confident	1 Å²	1	62 Å²	62	1%	0.005	34%	0.339	C	S	.	.			trans	-77.5	65.8	-174.2	-57.8	-173.5	76.8	0	0	113.2	K139 W140 Y145 I146 H147 I239 V240	K139-M143 WeakPolarHBondContact O-CG 3.37Å; W140-M143 HydrophobicContact CE3-SD 4.07Å; W140-M143 WeakPolarHBondContact O-CB 3.38Å; W140-M143 PolarHBondContact O-N 2.82Å; W140-M143 VanDerWaalsContact O-N 3.12Å; M143-Y145 HydrophobicContact CE-CE2 4.01Å; M143-Y145 WeakPolarHBondContact CE-OH 3.3Å; M143-Y145 PolarHBondContact O-N 3.26Å; M143-Y145 VanDerWaalsContact O-N 3.09Å; M143-I146 HydrophobicContact CB-CB 4.47Å; M143-I146 HydrophobicContact CB-CG1 4.47Å; M143-I146 HydrophobicContact CE-CD1 3.51Å; M143-I146 HydrophobicContact CE-CG1 4.31Å; M143-I146 PolarHBondContact O-N 3.37Å; M143-I146 HydrophobicContact SD-CD1 4.33Å; M143-H147 PolarHBondContact O-N 3.48Å; M143-I239 HydrophobicContact CE-CB 3.71Å; M143-I239 HydrophobicContact CE-CD1 4.11Å; M143-I239 HydrophobicContact CE-CG2 4.08Å; M143-I239 HydrophobicContact CG-CG2 4.39Å; M143-I239 HydrophobicContact SD-CB 3.73Å; M143-I239 HydrophobicContact SD-CG2 4Å; M143-V240 VanDerWaalsContact CE-O 3.27Å; M143-V240 WeakPolarHBondContact CE-O 3.44Å; M143-V240 HydrophobicContact SD-CB 4.48Å; M143-V240 PolarHBondContact SD-N 2.84Å
144	W	88.4	Confident	73.6	Confident	12 Å²	12	67.8 Å²	67.8	5%	0.045	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.3	-173.2	65.8	-90.6	0	0	0	115.6	S142 I146 H147 E349 Y368 R376 K377 I378	S142-W144 PolarHBondContact O-N 3.25Å; W144-I146 VanDerWaalsContact C-N 3.31Å; W144-H147 CarbonylContact C-O 3.59Å; W144-H147 WeakPolarHBondContact CA-O 3.34Å; W144-E349 HydrophobicContact CD2-CG 4.46Å; W144-E349 HydrophobicContact CE3-CB 4.01Å; W144-E349 HydrophobicContact CE3-CG 3.8Å; W144-E349 HydrophobicContact CH2-CB 3.67Å; W144-E349 HydrophobicContact CH2-CG 4.37Å; W144-E349 HydrophobicContact CZ2-CB 4.27Å; W144-E349 HydrophobicContact CZ3-CB 3.55Å; W144-E349 HydrophobicContact CZ3-CG 3.77Å; W144-Y368 AromaticContact CH2-CD1 3.72Å; W144-Y368 HydrophobicContact CH2-CD1 3.72Å; W144-Y368 HydrophobicContact CH2-CD2 4.49Å; W144-Y368 HydrophobicContact CH2-CE1 4.5Å; W144-Y368 AromaticContact CH2-CG 3.73Å; W144-Y368 HydrophobicContact CH2-CG 3.73Å; W144-Y368 AromaticContact CZ3-CD1 3.61Å; W144-Y368 HydrophobicContact CZ3-CD1 3.61Å; W144-Y368 HydrophobicContact CZ3-CD2 4.01Å; W144-Y368 AromaticContact CZ3-CE1 3.99Å; W144-Y368 HydrophobicContact CZ3-CE1 3.99Å; W144-Y368 HydrophobicContact CZ3-CE2 4.36Å; W144-Y368 AromaticContact CZ3-CG 3.64Å; W144-Y368 HydrophobicContact CZ3-CG 3.64Å; W144-R376 HydrophobicContact CD2-CB 4.25Å; W144-R376 HydrophobicContact CG-CB 4.1Å; W144-R376 HydrophobicContact CZ2-CB 4.47Å; W144-R376 VanDerWaalsContact NE1-CB 3.33Å; W144-K377 PolarHBondContact NE1-O 2.77Å; W144-I378 HydrophobicContact CZ2-CD1 4.02Å
145	Y	89.2	Confident	72.1	Confident	2 Å²	2	63 Å²	63	1%	0.008	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.1	180	51.6	-93.3	0	0	0	112.5	M143 S157 M159 I378 I379 M400	M143-Y145 HydrophobicContact CE-CE2 4.01Å; M143-Y145 WeakPolarHBondContact CE-OH 3.3Å; M143-Y145 PolarHBondContact O-N 3.26Å; M143-Y145 VanDerWaalsContact O-N 3.09Å; Y145-S157 PolarHBondContact O-OG 3.33Å; Y145-M159 WeakPolarHBondContact O-CE 3.46Å; Y145-I378 HydrophobicContact CD1-CD1 3.56Å; Y145-I378 HydrophobicContact CE1-CB 4.49Å; Y145-I378 HydrophobicContact CE1-CD1 3.87Å; Y145-I378 HydrophobicContact CE1-CG2 3.95Å; Y145-I378 HydrophobicContact CG-CD1 4.09Å; Y145-I379 PolarHBondContact OH-O 3Å; Y145-M400 HydrophobicContact CD2-SD 3.86Å; Y145-M400 HydrophobicContact CE2-SD 4.29Å; Y145-M400 HydrophobicContact CG-SD 4.32Å
146	I	88.1	Confident	70.5	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.015	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-48.2	174	-58.6	-167.1	0	0	0	111	W140 M143 W144 I161 M162 W165 I242	W140-I146 HydrophobicContact CH2-CG2 4.08Å; W140-I146 HydrophobicContact CZ3-CG2 4.16Å; M143-I146 HydrophobicContact CB-CB 4.47Å; M143-I146 HydrophobicContact CB-CG1 4.47Å; M143-I146 HydrophobicContact CE-CD1 3.51Å; M143-I146 HydrophobicContact CE-CG1 4.31Å; M143-I146 PolarHBondContact O-N 3.37Å; M143-I146 HydrophobicContact SD-CD1 4.33Å; W144-I146 VanDerWaalsContact C-N 3.31Å; I146-I161 HydrophobicContact CG1-CD1 4.06Å; I146-I161 HydrophobicContact CG2-CB 4.32Å; I146-I161 HydrophobicContact CG2-CG2 4.1Å; I146-M162 HydrophobicContact CG2-CG 4.27Å; I146-M162 HydrophobicContact CG2-SD 3.89Å; I146-W165 HydrophobicContact CD1-CH2 4.04Å; I146-W165 HydrophobicContact CD1-CZ2 4.5Å; I146-W165 HydrophobicContact CG2-CH2 3.75Å; I146-W165 HydrophobicContact CG2-CZ3 3.88Å; I146-I242 HydrophobicContact CD1-CG1 4.16Å
147	H	78.1	Confident	69.5	Low	28 Å²	28	66.7 Å²	66.7	13%	0.13	37%	0.374	C	S	.	.			trans	-150	165.5	-175.4	69.7	90.3	0	0	0	111.5	W140 M143 W144 M162	W140-H147 AromaticContact CD2-NE2 3.44Å; W140-H147 AromaticContact CE2-CD2 3.72Å; W140-H147 AromaticContact CE2-CE1 3.84Å; W140-H147 AromaticContact CE2-NE2 3.31Å; W140-H147 VanDerWaalsContact CE2-NE2 3.31Å; W140-H147 AromaticContact CE3-NE2 3.73Å; W140-H147 AromaticContact CG-NE2 3.99Å; W140-H147 AromaticContact CH2-CD2 3.26Å; W140-H147 WeakPolarHBondContact CH2-CD2 3.24Å; W140-H147 AromaticContact CH2-NE2 3.71Å; W140-H147 AromaticContact CZ2-CD2 3.34Å; W140-H147 WeakPolarHBondContact CZ2-CD2 3.31Å; W140-H147 AromaticContact CZ2-CG 3.91Å; W140-H147 AromaticContact CZ2-NE2 3.49Å; W140-H147 WeakPolarHBondContact CZ2-NE2 3.45Å; W140-H147 AromaticContact CZ3-CD2 3.65Å; W140-H147 AromaticContact CZ3-NE2 3.86Å; W140-H147 AromaticContact NE1-CE1 3.91Å; W140-H147 AromaticContact NE1-NE2 3.8Å; W140-H147 PolarHBondContact O-CE1 2.95Å; W140-H147 VanDerWaalsContact O-CE1 3.24Å; W140-H147 PolarHBondContact O-NE2 3.42Å; M143-H147 PolarHBondContact O-N 3.48Å; W144-H147 CarbonylContact C-O 3.59Å; W144-H147 WeakPolarHBondContact CA-O 3.34Å; H147-M162 HydrophobicContact CB-CG 4.1Å; H147-M162 HydrophobicContact CB-SD 4.39Å
148	C	67	Low	69	Low	30 Å²	30	69.2 Å²	69.2	20%	0.203	39%	0.387	C	S	.	.			trans	-114.4	147.4	177	-56.7	0	0	0	0	111.2	C155	C148-C155 HydrophobicContact CB-CB 3.19Å; C148-C155 WeakPolarHBondContact CB-SG 3.45Å; C148-C155 VanDerWaalsContact SG-C 3.53Å; C148-C155 WeakPolarHBondContact SG-CB 3.46Å; C148-C155 PolarHBondContact SG-O 3.11Å; C148-C155 CovalentContact SG-SG 2.02Å; C148-C155 PolarHBondContact SG-SG 3.02Å
149	S	52.9	Low	69.2	Low	62 Å²	62	65.9 Å²	65.9	43%	0.434	36%	0.36	S	S	.	.			trans	-71.2	144.1	173.8	52.4	0	0	0	0	112.5	D151 V152	S149-D151 PolarHBondContact O-N 3.38Å; S149-V152 PolarHBondContact O-N 2.94Å
150	D	45.3	Very low	69.2	Low	132 Å²	132	63.5 Å²	63.5	71%	0.706	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.7	-173.4	-66.9	-44.1	0	0	0	115.5	V152	D150-V152 PolarHBondContact O-N 3.26Å
151	D	45.1	Very low	69.4	Low	158 Å²	158	63 Å²	63	85%	0.845	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.3	179.8	-68.3	-37	0	0	0	114.7	S149	S149-D151 PolarHBondContact O-N 3.38Å
152	V	43.5	Very low	69.6	Low	87 Å²	87	60.3 Å²	60.3	53%	0.527	33%	0.327	S	S	.	.	S	Bend	trans	-118.8	96.4	177.2	-172.1	0	0	0	0	109.5	S149 D150 N154 C155	S149-V152 PolarHBondContact O-N 2.94Å; D150-V152 PolarHBondContact O-N 3.26Å; V152-N154 PolarHBondContact O-N 2.99Å; V152-C155 HydrophobicContact CB-CB 4.31Å; V152-C155 HydrophobicContact CG1-CB 4.27Å; V152-C155 PolarHBondContact O-N 2.92Å
153	H	33.2	Very low	69.7	Low	180 Å²	180	58.5 Å²	58.5	83%	0.833	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	127.6	171.2	-79.9	8.4	0	0	0	110.2
154	N	41.3	Very low	69.9	Low	174 Å²	174	58.4 Å²	58.4	93%	0.93	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	32.4	-175.1	-73.4	-4.5	0	0	0	118.7	V152	V152-N154 PolarHBondContact O-N 2.99Å
155	C	47.8	Very low	70.1	Confident	58 Å²	58	58.3 Å²	58.3	39%	0.392	32%	0.315	S	S	.	.			trans	-103.1	98.2	173.4	-160.2	0	0	0	0	112.1	C148 V152	C148-C155 HydrophobicContact CB-CB 3.19Å; C148-C155 WeakPolarHBondContact CB-SG 3.45Å; C148-C155 VanDerWaalsContact SG-C 3.53Å; C148-C155 WeakPolarHBondContact SG-CB 3.46Å; C148-C155 PolarHBondContact SG-O 3.11Å; C148-C155 CovalentContact SG-SG 2.02Å; C148-C155 PolarHBondContact SG-SG 3.02Å; V152-C155 HydrophobicContact CB-CB 4.31Å; V152-C155 HydrophobicContact CG1-CB 4.27Å; V152-C155 PolarHBondContact O-N 2.92Å
156	Q	50.3	Low	70.1	Confident	159 Å²	159	64.9 Å²	64.9	74%	0.743	34%	0.344	S	S	*	.			trans	-99.4	133.1	158.3	-73.6	-174.8	-22.5	0	0	107.2	D158	Q156-D158 PolarHBondContact O-N 3.49Å
157	S	66.3	Low	70.2	Confident	12 Å²	12	68.2 Å²	68.2	8%	0.084	36%	0.356	C	S	.	.			trans	-66.9	122.9	165.6	167.3	0	0	0	0	107.9	Y145 M159 N160	Y145-S157 PolarHBondContact O-OG 3.33Å; S157-M159 PolarHBondContact O-N 3.11Å; S157-M159 PolarHBondContact OG-N 3.4Å; S157-N160 PolarHBondContact O-N 3.34Å; S157-N160 PolarHBondContact O-OD1 3.25Å
158	D	80.1	Confident	70.8	Confident	60 Å²	60	69.2 Å²	69.2	32%	0.321	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12	-176.4	-78.1	2.2	0	0	0	113.3	Q156 N160 H432 L455	Q156-D158 PolarHBondContact O-N 3.49Å; D158-N160 VanDerWaalsContact C-N 3.33Å; D158-H432 IonicContact OD2-CE1 3.74Å; D158-H432 IonicContact OD2-CG 3.43Å; D158-H432 IonicContact OD2-ND1 2.7Å; D158-H432 PolarHBondContact OD2-ND1 2.63Å; D158-L455 HydrophobicContact CB-CD2 3.47Å; D158-L455 VanDerWaalsContact CB-CD2 3.47Å
159	M	92.1	Very high	72.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.9	172.6	-64.4	-164.9	-48.3	0	0	114.1	Y145 S157 I161 T367 Y368 M400 I404 L455 M456 A458	Y145-M159 WeakPolarHBondContact O-CE 3.46Å; S157-M159 PolarHBondContact O-N 3.11Å; S157-M159 PolarHBondContact OG-N 3.4Å; M159-I161 HydrophobicContact CB-CD1 4.23Å; M159-I161 HydrophobicContact CB-CG1 4.31Å; M159-I161 HydrophobicContact CE-CD1 3.82Å; M159-I161 PolarHBondContact O-N 3.37Å; M159-T367 HydrophobicContact SD-CG2 4.11Å; M159-Y368 HydrophobicContact CE-CD2 3.52Å; M159-Y368 HydrophobicContact CE-CE2 4.34Å; M159-Y368 HydrophobicContact CE-CG 4.37Å; M159-Y368 HydrophobicContact CG-CD2 3.72Å; M159-Y368 HydrophobicContact CG-CE2 3.73Å; M159-Y368 HydrophobicContact SD-CD2 3.61Å; M159-Y368 HydrophobicContact SD-CE2 4.26Å; M159-Y368 HydrophobicContact SD-CG 4.3Å; M159-M400 HydrophobicContact CE-SD 3.96Å; M159-I404 HydrophobicContact SD-CD1 4.41Å; M159-L455 HydrophobicContact CG-CD1 4.12Å; M159-L455 HydrophobicContact CG-CD2 3.77Å; M159-L455 HydrophobicContact CG-CG 3.84Å; M159-L455 HydrophobicContact SD-CD1 4.34Å; M159-M456 VanDerWaalsContact CA-O 3.27Å; M159-M456 WeakPolarHBondContact CA-O 3.49Å; M159-A458 WeakPolarHBondContact O-CB 3.49Å; M159-A458 PolarHBondContact O-N 3.45Å
160	N	91.8	Very high	74.2	Confident	29 Å²	29	67.5 Å²	67.5	16%	0.155	36%	0.356	C	S	.	.			trans	49.9	33	171.1	-71.7	-31.7	0	0	0	115.8	S157 D158 M162 G163 A164 D457 E459	S157-N160 PolarHBondContact O-N 3.34Å; S157-N160 PolarHBondContact O-OD1 3.25Å; D158-N160 VanDerWaalsContact C-N 3.33Å; N160-M162 VanDerWaalsContact C-N 3.33Å; N160-M162 PolarHBondContact O-N 3.29Å; N160-G163 WeakPolarHBondContact O-CA 3.18Å; N160-G163 PolarHBondContact O-N 3.03Å; N160-A164 PolarHBondContact O-N 3.09Å; N160-D457 VanDerWaalsContact CB-OD1 3.3Å; N160-D457 WeakPolarHBondContact CB-OD1 3.44Å; N160-D457 VanDerWaalsContact ND2-CG 3.34Å; N160-D457 PolarHBondContact ND2-OD1 3.23Å; N160-D457 PolarHBondContact ND2-OD2 2.89Å; N160-E459 HydrophobicContact CB-CB 4.04Å; N160-E459 PolarHBondContact O-N 2.89Å
161	I	94	Very high	76.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-43.3	179.3	-66.2	157.1	0	0	0	111.2	I146 M159 G163 A164 W165 I242 A458	I146-I161 HydrophobicContact CG1-CD1 4.06Å; I146-I161 HydrophobicContact CG2-CB 4.32Å; I146-I161 HydrophobicContact CG2-CG2 4.1Å; M159-I161 HydrophobicContact CB-CD1 4.23Å; M159-I161 HydrophobicContact CB-CG1 4.31Å; M159-I161 HydrophobicContact CE-CD1 3.82Å; M159-I161 PolarHBondContact O-N 3.37Å; I161-G163 PolarHBondContact O-N 3.36Å; I161-A164 WeakPolarHBondContact O-CB 3.36Å; I161-A164 PolarHBondContact O-N 3.49Å; I161-W165 HydrophobicContact CG2-CD2 4.05Å; I161-W165 VanDerWaalsContact CG2-CE2 3.47Å; I161-W165 HydrophobicContact CG2-CH2 4.21Å; I161-W165 HydrophobicContact CG2-CZ2 3.59Å; I161-W165 PolarHBondContact O-N 2.78Å; I161-W165 VanDerWaalsContact O-N 3.08Å; I161-I242 HydrophobicContact CD1-CD1 3.67Å; I161-I242 HydrophobicContact CD1-CG1 3.84Å; I161-I242 HydrophobicContact CD1-CG2 4.34Å; I161-I242 HydrophobicContact CG1-CG2 4.23Å; I161-I242 HydrophobicContact CG2-CG2 4.08Å; I161-A458 HydrophobicContact CG1-CB 4.17Å
162	M	90.1	Very high	79.1	Confident	31 Å²	31	59.1 Å²	59.1	15%	0.153	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-31.4	175.3	-62.9	-61.4	-72.8	0	0	112.7	I133 W140 I146 H147 N160 W165 K166	I133-M162 HydrophobicContact CB-CE 3.6Å; I133-M162 HydrophobicContact CD1-CE 4.25Å; I133-M162 HydrophobicContact CG1-CE 4.43Å; I133-M162 HydrophobicContact CG2-CE 3.93Å; W140-M162 HydrophobicContact CH2-CE 4.24Å; W140-M162 HydrophobicContact CH2-SD 3.8Å; W140-M162 HydrophobicContact CZ2-CE 4.22Å; W140-M162 HydrophobicContact CZ2-SD 4.33Å; I146-M162 HydrophobicContact CG2-CG 4.27Å; I146-M162 HydrophobicContact CG2-SD 3.89Å; H147-M162 HydrophobicContact CB-CG 4.1Å; H147-M162 HydrophobicContact CB-SD 4.39Å; N160-M162 VanDerWaalsContact C-N 3.33Å; N160-M162 PolarHBondContact O-N 3.29Å; M162-W165 HydrophobicContact CE-CE3 4.36Å; M162-W165 PolarHBondContact O-N 2.77Å; M162-W165 HydrophobicContact SD-CD2 4.44Å; M162-W165 HydrophobicContact SD-CE3 3.39Å; M162-W165 HydrophobicContact SD-CZ3 3.5Å; M162-W165 VanDerWaalsContact SD-CZ3 3.5Å; M162-K166 WeakPolarHBondContact O-CB 3.49Å; M162-K166 VanDerWaalsContact O-CG 3.25Å; M162-K166 WeakPolarHBondContact O-CG 3.29Å; M162-K166 PolarHBondContact O-N 3.16Å
163	G	90.3	Very high	81.6	Confident	10 Å²	10	60.5 Å²	60.5	10%	0.103	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-42.5	175.5	0	0	0	0	0	111.8	N160 I161 K166 R167	N160-G163 WeakPolarHBondContact O-CA 3.18Å; N160-G163 PolarHBondContact O-N 3.03Å; I161-G163 PolarHBondContact O-N 3.36Å; G163-K166 PolarHBondContact O-N 2.9Å; G163-R167 VanDerWaalsContact O-CG 3.28Å; G163-R167 WeakPolarHBondContact O-CG 3.46Å; G163-R167 PolarHBondContact O-N 2.88Å
164	A	92.4	Very high	84.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-43	173.7	0	0	0	0	0	112.3	N160 I161 R167 G168 Y169 L407 A458 V462	N160-A164 PolarHBondContact O-N 3.09Å; I161-A164 WeakPolarHBondContact O-CB 3.36Å; I161-A164 PolarHBondContact O-N 3.49Å; A164-R167 WeakPolarHBondContact O-CA 3.3Å; A164-R167 WeakPolarHBondContact O-CB 3.44Å; A164-R167 PolarHBondContact O-N 3.27Å; A164-R167 VanDerWaalsContact O-N 3.08Å; A164-G168 PolarHBondContact O-N 3.19Å; A164-Y169 PolarHBondContact O-N 3.41Å; A164-L407 HydrophobicContact CB-CD1 3.8Å; A164-A458 HydrophobicContact CB-CB 4.07Å; A164-V462 HydrophobicContact CB-CG2 4.05Å
165	W	93.3	Very high	87.4	Confident	10 Å²	10	43.9 Å²	43.9	4%	0.038	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-40.9	177.8	-64.2	-7.2	0	0	0	113	I133 Y135 W140 I146 I161 M162 R167 G168 V240 I242 Y244	I133-W165 HydrophobicContact CD1-CB 4.1Å; I133-W165 HydrophobicContact CG2-CE3 4.48Å; Y135-W165 HydrophobicContact CD2-CZ3 4.38Å; Y135-W165 AromaticContact CE2-CE3 3.97Å; Y135-W165 HydrophobicContact CE2-CE3 3.97Å; Y135-W165 HydrophobicContact CE2-CH2 4.32Å; Y135-W165 AromaticContact CE2-CZ3 3.58Å; Y135-W165 HydrophobicContact CE2-CZ3 3.58Å; W140-W165 HydrophobicContact CH2-CH2 4.29Å; W140-W165 AromaticContact CH2-CZ3 3.62Å; W140-W165 HydrophobicContact CH2-CZ3 3.62Å; W140-W165 HydrophobicContact CZ3-CH2 4.05Å; W140-W165 AromaticContact CZ3-CZ3 3.82Å; W140-W165 HydrophobicContact CZ3-CZ3 3.82Å; I146-W165 HydrophobicContact CD1-CH2 4.04Å; I146-W165 HydrophobicContact CD1-CZ2 4.5Å; I146-W165 HydrophobicContact CG2-CH2 3.75Å; I146-W165 HydrophobicContact CG2-CZ3 3.88Å; I161-W165 HydrophobicContact CG2-CD2 4.05Å; I161-W165 VanDerWaalsContact CG2-CE2 3.47Å; I161-W165 HydrophobicContact CG2-CH2 4.21Å; I161-W165 HydrophobicContact CG2-CZ2 3.59Å; I161-W165 PolarHBondContact O-N 2.78Å; I161-W165 VanDerWaalsContact O-N 3.08Å; M162-W165 HydrophobicContact CE-CE3 4.36Å; M162-W165 PolarHBondContact O-N 2.77Å; M162-W165 HydrophobicContact SD-CD2 4.44Å; M162-W165 HydrophobicContact SD-CE3 3.39Å; M162-W165 HydrophobicContact SD-CZ3 3.5Å; M162-W165 VanDerWaalsContact SD-CZ3 3.5Å; W165-R167 PolarHBondContact O-N 2.94Å; W165-G168 WeakPolarHBondContact O-CA 3.39Å; W165-G168 PolarHBondContact O-N 2.78Å; W165-V240 HydrophobicContact CH2-CB 4.38Å; W165-V240 HydrophobicContact CH2-CG1 3.68Å; W165-V240 HydrophobicContact CZ2-CG1 4.18Å; W165-V240 HydrophobicContact CZ3-CG1 4.41Å; W165-I242 PolarHBondContact NE1-O 2.81Å; W165-Y244 AromaticContact CD2-CE1 3.79Å; W165-Y244 HydrophobicContact CD2-CE1 3.79Å; W165-Y244 AromaticContact CE2-CD1 3.85Å; W165-Y244 AromaticContact CE2-CE1 3.52Å; W165-Y244 HydrophobicContact CE3-CE1 4.28Å; W165-Y244 HydrophobicContact CG-CE1 4.17Å; W165-Y244 HydrophobicContact CH2-CD1 4.25Å; W165-Y244 HydrophobicContact CH2-CE1 4.28Å; W165-Y244 AromaticContact CZ2-CD1 3.69Å; W165-Y244 HydrophobicContact CZ2-CD1 3.69Å; W165-Y244 AromaticContact CZ2-CE1 3.78Å; W165-Y244 HydrophobicContact CZ2-CE1 3.78Å; W165-Y244 HydrophobicContact CZ3-CE1 4.5Å; W165-Y244 AromaticContact NE1-CE1 3.76Å
166	K	88.8	Confident	89.9	Confident	139 Å²	139	41.1 Å²	41.1	60%	0.604	21%	0.209	S	C	*	.	H	α-helix	trans	-60.4	-23.6	173.3	-76.7	174.9	-178.2	-178.1	0	112.8	I133 M162 G163 G168	I133-K166 HydrophobicContact CD1-CG 3.68Å; M162-K166 WeakPolarHBondContact O-CB 3.49Å; M162-K166 VanDerWaalsContact O-CG 3.25Å; M162-K166 WeakPolarHBondContact O-CG 3.29Å; M162-K166 PolarHBondContact O-N 3.16Å; G163-K166 PolarHBondContact O-N 2.9Å; K166-G168 VanDerWaalsContact C-N 3.32Å
167	R	91.6	Very high	92.2	Very high	74 Å²	74	33.6 Å²	33.6	28%	0.279	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.4	174.7	-62.2	175.6	84.1	-93.5	-16.4	113.2	G163 A164 W165 Y169 K463 E466	G163-R167 VanDerWaalsContact O-CG 3.28Å; G163-R167 WeakPolarHBondContact O-CG 3.46Å; G163-R167 PolarHBondContact O-N 2.88Å; A164-R167 WeakPolarHBondContact O-CA 3.3Å; A164-R167 WeakPolarHBondContact O-CB 3.44Å; A164-R167 PolarHBondContact O-N 3.27Å; A164-R167 VanDerWaalsContact O-N 3.08Å; W165-R167 PolarHBondContact O-N 2.94Å; R167-Y169 HydrophobicContact CB-CD2 3.78Å; R167-Y169 HydrophobicContact CB-CE2 3.96Å; R167-Y169 VanDerWaalsContact NH1-CE2 3.31Å; R167-Y169 WeakPolarHBondContact O-CD2 3.18Å; R167-Y169 WeakPolarHBondContact O-CE2 3.29Å; R167-K463 VanDerWaalsContact CZ-CG 3.48Å; R167-E466 IonicContact CZ-OE1 3.85Å; R167-E466 IonicContact CZ-OE2 2.83Å; R167-E466 VanDerWaalsContact NH1-CD 3.29Å; R167-E466 IonicContact NH1-OE1 2.92Å; R167-E466 PolarHBondContact NH1-OE1 3.44Å; R167-E466 IonicContact NH1-OE2 3.51Å; R167-E466 PolarHBondContact NH1-OE2 3.01Å; R167-E466 IonicContact NH2-OE1 3.24Å; R167-E466 PolarHBondContact NH2-OE1 3.44Å; R167-E466 IonicContact NH2-OE2 2.78Å; R167-E466 PolarHBondContact NH2-OE2 3.25Å
168	G	90.4	Very high	93.7	Very high	49 Å²	49	33.2 Å²	33.2	51%	0.505	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	4.5	175.4	0	0	0	0	0	115.3	A164 W165 K166	A164-G168 PolarHBondContact O-N 3.19Å; W165-G168 WeakPolarHBondContact O-CA 3.39Å; W165-G168 PolarHBondContact O-N 2.78Å; K166-G168 VanDerWaalsContact C-N 3.32Å
169	Y	94.8	Very high	94.6	Very high	43 Å²	43	30.4 Å²	30.4	17%	0.169	16%	0.155	C	C	.	.			trans	-96.1	125.4	-178.3	-59.4	-77.5	0	0	0	110.4	A164 R167 E410 A411 V462 E466	A164-Y169 PolarHBondContact O-N 3.41Å; R167-Y169 HydrophobicContact CB-CD2 3.78Å; R167-Y169 HydrophobicContact CB-CE2 3.96Å; R167-Y169 VanDerWaalsContact NH1-CE2 3.31Å; R167-Y169 WeakPolarHBondContact O-CD2 3.18Å; R167-Y169 WeakPolarHBondContact O-CE2 3.29Å; Y169-E410 WeakPolarHBondContact CA-OE2 3.33Å; Y169-E410 HydrophobicContact CD1-CB 4.24Å; Y169-E410 HydrophobicContact CD1-CG 3.92Å; Y169-A411 HydrophobicContact CD1-CB 3.83Å; Y169-A411 HydrophobicContact CE1-CB 3.5Å; Y169-A411 VanDerWaalsContact CE1-CB 3.5Å; Y169-A411 HydrophobicContact CE2-CB 4.45Å; Y169-A411 HydrophobicContact CG-CB 4.44Å; Y169-V462 HydrophobicContact CD1-CG1 4.21Å; Y169-V462 HydrophobicContact CD2-CB 4.42Å; Y169-V462 HydrophobicContact CD2-CG1 3.05Å; Y169-V462 HydrophobicContact CE1-CG1 4.43Å; Y169-V462 HydrophobicContact CE2-CG1 3.27Å; Y169-V462 HydrophobicContact CG-CG1 3.52Å; Y169-E466 VanDerWaalsContact CE2-OE1 3.24Å; Y169-E466 WeakPolarHBondContact CE2-OE1 3.38Å; Y169-E466 VanDerWaalsContact CZ-OE1 3.3Å; Y169-E466 WeakPolarHBondContact OH-CG 3.29Å; Y169-E466 PolarHBondContact OH-OE1 3.25Å
170	T	96.1	Very high	94.9	Very high	13 Å²	13	30.4 Å²	30.4	8%	0.08	16%	0.155	C	C	.	.	S	Bend	trans	-139.6	5.8	-168.6	59.4	0	0	0	0	112.9	A243 Y244 N245 L407 E410	T170-A243 CarbonylContact O-C 3.59Å; T170-A243 VanDerWaalsContact O-CA 3.23Å; T170-A243 WeakPolarHBondContact O-CA 3.44Å; T170-Y244 HydrophobicContact CG2-CE1 4.01Å; T170-Y244 HydrophobicContact CG2-CE2 3.9Å; T170-Y244 WeakPolarHBondContact CG2-OH 3.19Å; T170-Y244 PolarHBondContact O-N 2.87Å; T170-N245 WeakPolarHBondContact CB-ND2 3.32Å; T170-N245 PolarHBondContact O-N 2.93Å; T170-N245 WeakPolarHBondContact OG1-CB 3.37Å; T170-N245 PolarHBondContact OG1-ND2 3.47Å; T170-L407 VanDerWaalsContact C-CD2 3.46Å; T170-E410 PolarHBondContact N-OE2 2.85Å
171	G	96.7	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.			trans	93.3	7.4	-176.8	0	0	0	0	0	114.2	D173 V174 A246 L407 E410	G171-D173 PolarHBondContact O-N 2.84Å; G171-V174 WeakPolarHBondContact O-CB 3.43Å; G171-V174 PolarHBondContact O-N 2.9Å; G171-A246 WeakPolarHBondContact O-CA 3.41Å; G171-A246 VanDerWaalsContact O-CB 3.31Å; G171-A246 WeakPolarHBondContact O-CB 3.42Å; G171-A246 PolarHBondContact O-N 2.69Å; G171-L407 VanDerWaalsContact N-CD2 3.3Å; G171-E410 WeakPolarHBondContact CA-OE2 2.98Å; G171-E410 PolarHBondContact N-OE2 2.93Å
172	K	96.4	Very high	95.2	Very high	114 Å²	114	29.1 Å²	29.1	50%	0.496	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	140.2	-170.6	-169.3	-176.5	169.8	-176.8	0	111.6	V174 N245 E410	K172-V174 PolarHBondContact O-N 3.5Å; K172-N245 HydrophobicContact CB-CB 4.29Å; K172-E410 HydrophobicContact CB-CG 4.43Å; K172-E410 VanDerWaalsContact CB-OE1 3.23Å; K172-E410 WeakPolarHBondContact CB-OE1 3.46Å; K172-E410 VanDerWaalsContact N-CD 3.28Å; K172-E410 PolarHBondContact N-OE2 3.36Å; K172-E410 VanDerWaalsContact N-OE2 3.11Å
173	D	95.1	Very high	95.5	Very high	115 Å²	115	27.7 Å²	27.7	62%	0.615	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	-5	179.4	-60.4	-45.4	0	0	0	115.7	G171 R247	G171-D173 PolarHBondContact O-N 2.84Å; D173-R247 PolarHBondContact O-NH2 2.85Å
174	V	98.8	Very high	95.9	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.036	14%	0.137	C	C	.	.			trans	-85.1	140.8	173.6	-175.8	0	0	0	0	110.6	G171 K172 R247 D275 I276 A406 L409 E410	G171-V174 WeakPolarHBondContact O-CB 3.43Å; G171-V174 PolarHBondContact O-N 2.9Å; K172-V174 PolarHBondContact O-N 3.5Å; V174-R247 PolarHBondContact O-N 2.89Å; V174-D275 HydrophobicContact CG1-CB 3.93Å; V174-I276 HydrophobicContact CG1-CD1 4.15Å; V174-A406 HydrophobicContact CB-CB 4.24Å; V174-A406 HydrophobicContact CG1-CB 3.82Å; V174-A406 WeakPolarHBondContact CG2-O 3.4Å; V174-L409 HydrophobicContact CG1-CB 4.37Å; V174-L409 HydrophobicContact CG1-CD1 4.33Å; V174-L409 HydrophobicContact CG2-CB 3.95Å; V174-E410 HydrophobicContact CG2-CB 4.18Å
175	V	98.9	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122	-180	-175.8	0	0	0	0	110.8	A198 R247 H273 I274 D275 I276	V175-A198 HydrophobicContact CG1-CB 3.54Å; V175-R247 HydrophobicContact CG2-CB 4.17Å; V175-R247 VanDerWaalsContact CG2-CZ 3.46Å; V175-H273 WeakPolarHBondContact CB-O 3.42Å; V175-H273 WeakPolarHBondContact CG2-O 3.5Å; V175-I274 HydrophobicContact CG1-CG1 4.27Å; V175-D275 PolarHBondContact N-OD2 2.65Å; V175-D275 WeakPolarHBondContact O-CB 3.28Å; V175-D275 PolarHBondContact O-N 3.29Å; V175-I276 PolarHBondContact O-N 2.85Å; V175-I276 VanDerWaalsContact O-N 3.12Å
176	V	98.9	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.8	177	-171.5	0	0	0	0	109.8	V229 R247 I248 G249 I276 A402 A406	V176-V229 HydrophobicContact CB-CG1 4.03Å; V176-V229 HydrophobicContact CG1-CG1 4.03Å; V176-V229 HydrophobicContact CG2-CG1 3.93Å; V176-R247 PolarHBondContact N-O 3.25Å; V176-I248 HydrophobicContact CB-CD1 3.88Å; V176-I248 HydrophobicContact CG1-CD1 4.07Å; V176-I248 CarbonylContact O-C 3.43Å; V176-I248 WeakPolarHBondContact O-CA 3.38Å; V176-G249 PolarHBondContact O-N 3.03Å; V176-I276 CarbonylContact C-O 3.44Å; V176-I276 WeakPolarHBondContact CA-O 3.46Å; V176-I276 HydrophobicContact CG1-CB 4.2Å; V176-I276 HydrophobicContact CG1-CG2 4.34Å; V176-I276 HydrophobicContact CG2-CB 4.18Å; V176-I276 HydrophobicContact CG2-CD1 4.18Å; V176-A402 HydrophobicContact CG1-CB 4.47Å; V176-A406 HydrophobicContact CG2-CB 4.21Å
177	T	98.9	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138	170.9	-166.4	0	0	0	0	111.4	L179 A198 I274 I276 Y277 S278	T177-L179 HydrophobicContact CG2-CD2 3.97Å; T177-A198 WeakPolarHBondContact CB-O 3.43Å; T177-A198 PolarHBondContact OG1-O 2.91Å; T177-I274 HydrophobicContact CG2-CD1 3.85Å; T177-I274 HydrophobicContact CG2-CG2 3.61Å; T177-I276 PolarHBondContact N-O 3.22Å; T177-Y277 HydrophobicContact CG2-CD1 3.31Å; T177-Y277 HydrophobicContact CG2-CE1 3.79Å; T177-Y277 HydrophobicContact CG2-CG 3.88Å; T177-S278 PolarHBondContact O-N 3.09Å
178	I	98.8	Very high	97	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113	174.6	-54.2	-54.3	0	0	0	108.8	D180 C225 A226 V229 I248 G249 G250 V251	I178-D180 HydrophobicContact CG2-CB 3.83Å; I178-D180 PolarHBondContact O-N 3.5Å; I178-C225 HydrophobicContact CD1-CB 4.32Å; I178-C225 HydrophobicContact CG2-CB 3.92Å; I178-A226 HydrophobicContact CG1-CB 4Å; I178-V229 HydrophobicContact CD1-CG2 4.14Å; I178-I248 HydrophobicContact CD1-CD1 4.14Å; I178-I248 HydrophobicContact CG1-CD1 4Å; I178-G249 PolarHBondContact N-O 2.86Å; I178-G250 CarbonylContact O-C 3.47Å; I178-G250 WeakPolarHBondContact O-CA 3.35Å; I178-V251 PolarHBondContact O-N 2.83Å
179	L	98.5	Very high	97.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	93	177	-56.5	-174.3	0	0	0	109.5	T177 V251 L267 Y277 S278 A279 W281	T177-L179 HydrophobicContact CG2-CD2 3.97Å; L179-V251 HydrophobicContact CD2-CB 3.6Å; L179-V251 HydrophobicContact CD2-CG1 4.36Å; L179-V251 HydrophobicContact CD2-CG2 3.42Å; L179-V251 VanDerWaalsContact CD2-CG2 3.42Å; L179-L267 HydrophobicContact CD1-CD2 3.9Å; L179-Y277 HydrophobicContact CD1-CD1 4.15Å; L179-Y277 HydrophobicContact CD2-CD1 4.17Å; L179-Y277 HydrophobicContact CG-CD1 4.38Å; L179-S278 PolarHBondContact N-O 3.25Å; L179-A279 HydrophobicContact CB-CB 4.23Å; L179-W281 PolarHBondContact O-NE1 3.04Å
180	D	97.8	Very high	97.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-136.9	-170.4	-152.1	-86.5	0	0	0	113.8	I178 H221 G222 V251 M253 L254	I178-D180 HydrophobicContact CG2-CB 3.83Å; I178-D180 PolarHBondContact O-N 3.5Å; D180-H221 WeakPolarHBondContact OD1-CB 3.27Å; D180-H221 IonicContact OD1-CG 3.73Å; D180-H221 IonicContact OD1-ND1 3.74Å; D180-H221 PolarHBondContact OD1-ND1 2.93Å; D180-H221 IonicContact OD2-CE1 3.46Å; D180-H221 PolarHBondContact OD2-CE1 3.34Å; D180-H221 VanDerWaalsContact OD2-CE1 3.29Å; D180-H221 IonicContact OD2-CG 3.28Å; D180-H221 IonicContact OD2-ND1 3.61Å; D180-H221 PolarHBondContact OD2-ND1 3.01Å; D180-G222 PolarHBondContact OD1-N 3.03Å; D180-V251 CarbonylContact C-O 3.55Å; D180-V251 PolarHBondContact N-O 3.25Å; D180-V251 VanDerWaalsContact O-O 3.04Å; D180-M253 PolarHBondContact O-N 2.71Å; D180-L254 HydrophobicContact CB-CD1 4.41Å; D180-L254 PolarHBondContact O-N 3.45Å
181	D	95.7	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-96.3	8.2	-175.5	64.5	12.8	0	0	0	115	K109 N219 K220 H221 G222 L254	K109-D181 HydrophobicContact CD-CB 4.22Å; K109-D181 VanDerWaalsContact CE-CB 3.48Å; K109-D181 VanDerWaalsContact NZ-CG 3.34Å; K109-D181 IonicContact NZ-OD2 3.77Å; K109-D181 PolarHBondContact NZ-OD2 2.87Å; D181-N219 HydrophobicContact CB-CB 4.25Å; D181-N219 VanDerWaalsContact OD2-C 3.24Å; D181-N219 WeakPolarHBondContact OD2-CA 3.23Å; D181-K220 PolarHBondContact OD2-N 2.8Å; D181-H221 PolarHBondContact OD1-N 3.27Å; D181-H221 WeakPolarHBondContact OD2-CB 3.28Å; D181-H221 PolarHBondContact OD2-N 2.95Å; D181-H221 VanDerWaalsContact OD2-N 3.08Å; D181-G222 PolarHBondContact OD1-N 2.87Å; D181-L254 HydrophobicContact CB-CB 4.35Å
182	G	96.3	Very high	97.5	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	16%	0.157	C	C	.	.			trans	115.5	167.4	-178.9	0	0	0	0	0	112.7	P209 G222 T223	G182-P209 CarbonylContact C-O 3.51Å; G182-P209 WeakPolarHBondContact CA-O 3.36Å; G182-G222 CarbonylContact O-C 3.6Å; G182-G222 WeakPolarHBondContact O-CA 3.31Å; G182-T223 PolarHBondContact O-N 2.86Å
183	I	97.8	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.			trans	-127.2	125.9	177.4	-175.7	176.4	0	0	0	108.7	R185 L190 Y194 P209 P211 A226 I248	I183-R185 PolarHBondContact O-N 3.4Å; I183-L190 HydrophobicContact CD1-CD1 4.28Å; I183-L190 HydrophobicContact CG1-CD1 4.04Å; I183-Y194 HydrophobicContact CD1-CD2 4.49Å; I183-Y194 HydrophobicContact CG2-CE2 4.05Å; I183-P209 HydrophobicContact CG2-CB 3.96Å; I183-P209 HydrophobicContact CG2-CG 3.47Å; I183-P209 VanDerWaalsContact CG2-CG 3.47Å; I183-P209 PolarHBondContact N-O 2.77Å; I183-P211 VanDerWaalsContact C-CD 3.48Å; I183-P211 WeakPolarHBondContact O-CD 3.3Å; I183-A226 HydrophobicContact CD1-CB 3.49Å; I183-A226 VanDerWaalsContact CD1-CB 3.49Å; I183-A226 HydrophobicContact CG1-CB 3.89Å; I183-I248 HydrophobicContact CD1-CG1 4.15Å; I183-I248 HydrophobicContact CD1-CG2 4.42Å
184	E	98.1	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.			trans	-71.5	78.1	174.1	-170.3	174.7	-108.1	0	0	109.4	T186 H187 M210 P211 Y213 T223 L383 R384 H385	E184-T186 PolarHBondContact O-N 2.9Å; E184-H187 HydrophobicContact CB-CB 4.37Å; E184-H187 HydrophobicContact CG-CB 4.29Å; E184-H187 WeakPolarHBondContact O-CB 3.34Å; E184-H187 PolarHBondContact O-N 2.8Å; E184-H187 IonicContact OE2-CD2 3.76Å; E184-H187 PolarHBondContact OE2-CD2 3.44Å; E184-M210 HydrophobicContact CG-CE 4.28Å; E184-M210 HydrophobicContact CG-SD 4.28Å; E184-P211 HydrophobicContact CB-CG 4.39Å; E184-Y213 WeakPolarHBondContact OE1-CE1 3.36Å; E184-Y213 VanDerWaalsContact OE1-CZ 3.24Å; E184-Y213 PolarHBondContact OE1-OH 3.49Å; E184-T223 HydrophobicContact CB-CG2 3.79Å; E184-T223 WeakPolarHBondContact CB-OG1 3.49Å; E184-T223 PolarHBondContact N-OG1 3.41Å; E184-L383 HydrophobicContact CB-CD1 4.38Å; E184-R384 VanDerWaalsContact OE1-CA 3.29Å; E184-R384 WeakPolarHBondContact OE1-CA 3.41Å; E184-R384 PolarHBondContact OE1-N 2.88Å; E184-R384 PolarHBondContact OE2-N 3.07Å; E184-H385 VanDerWaalsContact CD-CD2 3.49Å; E184-H385 IonicContact OE1-CD2 3.33Å; E184-H385 IonicContact OE2-CD2 3.94Å; E184-H385 PolarHBondContact OE2-CD2 2.94Å; E184-H385 PolarHBondContact OE2-N 3.21Å
185	R	96.1	Very high	97.7	Very high	87 Å²	87	22.4 Å²	22.4	33%	0.328	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.7	-175.6	64.6	175.3	177.9	82.6	0.6	114.7	I183 S191 Y194 D208 M210	I183-R185 PolarHBondContact O-N 3.4Å; R185-S191 WeakPolarHBondContact O-CA 3.42Å; R185-Y194 HydrophobicContact CB-CD1 3.85Å; R185-Y194 HydrophobicContact CB-CD2 3.42Å; R185-Y194 VanDerWaalsContact CB-CD2 3.42Å; R185-Y194 HydrophobicContact CB-CE1 3.85Å; R185-Y194 HydrophobicContact CB-CE2 3.41Å; R185-Y194 VanDerWaalsContact CB-CE2 3.41Å; R185-Y194 HydrophobicContact CB-CG 3.63Å; R185-Y194 HydrophobicContact CG-CE1 4.33Å; R185-Y194 HydrophobicContact CG-CE2 4.42Å; R185-D208 IonicContact CZ-OD1 2.7Å; R185-D208 IonicContact CZ-OD2 3.41Å; R185-D208 IonicContact NE-OD1 2.8Å; R185-D208 PolarHBondContact NE-OD1 3.3Å; R185-D208 IonicContact NE-OD2 3.12Å; R185-D208 PolarHBondContact NE-OD2 3.01Å; R185-D208 IonicContact NH2-OD1 3.54Å; R185-D208 IonicContact NH2-OD2 3.28Å; R185-D208 PolarHBondContact NH2-OD2 3Å; R185-M210 HydrophobicContact CG-CG 3.96Å; R185-M210 HydrophobicContact CG-SD 3.76Å
186	T	97.4	Very high	97.7	Very high	61 Å²	61	26.4 Å²	26.4	37%	0.374	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.5	176.5	59.9	0	0	0	0	113.3	E184 H385	E184-T186 PolarHBondContact O-N 2.9Å; T186-H385 PolarHBondContact O-NE2 3.08Å; T186-H385 PolarHBondContact OG1-NE2 2.78Å; T186-H385 VanDerWaalsContact OG1-NE2 3.1Å
187	H	98.1	Very high	97.7	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.019	17%	0.167	C	C	.	.			trans	-56.7	129.5	175.5	-170.5	-73.8	0	0	0	109.4	E184 D189 L190 S191 T381 D382 R386	E184-H187 HydrophobicContact CB-CB 4.37Å; E184-H187 HydrophobicContact CG-CB 4.29Å; E184-H187 WeakPolarHBondContact O-CB 3.34Å; E184-H187 PolarHBondContact O-N 2.8Å; E184-H187 IonicContact OE2-CD2 3.76Å; E184-H187 PolarHBondContact OE2-CD2 3.44Å; H187-D189 VanDerWaalsContact ND1-CB 3.33Å; H187-D189 WeakPolarHBondContact ND1-CB 3.5Å; H187-D189 PolarHBondContact ND1-N 2.91Å; H187-D189 VanDerWaalsContact ND1-N 3.13Å; H187-D189 PolarHBondContact O-N 3.41Å; H187-L190 HydrophobicContact CB-CB 4.11Å; H187-L190 HydrophobicContact CB-CD1 4.01Å; H187-L190 HydrophobicContact CB-CG 4.08Å; H187-L190 PolarHBondContact O-N 2.94Å; H187-S191 WeakPolarHBondContact O-CB 3.33Å; H187-S191 PolarHBondContact O-N 3.48Å; H187-T381 WeakPolarHBondContact CE1-CG2 3.32Å; H187-D382 PolarHBondContact CD2-O 3.47Å; H187-R386 PolarHBondContact NE2-O 2.91Å
188	P	96.8	Very high	97.6	Very high	44 Å²	44	31.8 Å²	31.8	29%	0.286	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-40.2	-175.9	-29.1	34.2	0	0	0	112.6	L190 S191 H237 H385	P188-L190 PolarHBondContact O-N 3.47Å; P188-S191 PolarHBondContact O-OG 2.73Å; P188-H237 HydrophobicContact CB-CB 4.49Å; P188-H385 HydrophobicContact CG-CB 4.38Å
189	D	97.2	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.8	-178	-145.6	17.3	0	0	0	115.1	H187 A231 A232 N235 H237 C238 I239 T381	H187-D189 VanDerWaalsContact ND1-CB 3.33Å; H187-D189 WeakPolarHBondContact ND1-CB 3.5Å; H187-D189 PolarHBondContact ND1-N 2.91Å; H187-D189 VanDerWaalsContact ND1-N 3.13Å; H187-D189 PolarHBondContact O-N 3.41Å; D189-A231 CarbonylContact O-C 3.51Å; D189-A231 VanDerWaalsContact O-CA 3.3Å; D189-A231 WeakPolarHBondContact O-CA 3.47Å; D189-A231 WeakPolarHBondContact OD2-CB 3.15Å; D189-A232 PolarHBondContact O-N 3.37Å; D189-A232 PolarHBondContact OD1-N 3.38Å; D189-A232 VanDerWaalsContact OD1-O 3.07Å; D189-N235 PolarHBondContact OD1-ND2 2.94Å; D189-N235 PolarHBondContact OD1-OD1 3.06Å; D189-H237 HydrophobicContact CB-CB 4.37Å; D189-C238 HydrophobicContact CB-CB 4.36Å; D189-C238 WeakPolarHBondContact OD2-CB 3.42Å; D189-I239 PolarHBondContact OD2-N 3.41Å; D189-I239 VanDerWaalsContact OD2-N 3.08Å; D189-T381 HydrophobicContact CB-CG2 3.71Å
190	L	98.2	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-27.3	179	-61.4	176.6	0	0	0	112.8	I183 H187 P188 Q192 N193 Y194 T223 A226 T381	I183-L190 HydrophobicContact CD1-CD1 4.28Å; I183-L190 HydrophobicContact CG1-CD1 4.04Å; H187-L190 HydrophobicContact CB-CB 4.11Å; H187-L190 HydrophobicContact CB-CD1 4.01Å; H187-L190 HydrophobicContact CB-CG 4.08Å; H187-L190 PolarHBondContact O-N 2.94Å; P188-L190 PolarHBondContact O-N 3.47Å; L190-Q192 PolarHBondContact O-N 2.94Å; L190-Q192 VanDerWaalsContact O-N 3.13Å; L190-N193 PolarHBondContact O-N 2.77Å; L190-Y194 PolarHBondContact O-N 3.08Å; L190-T223 HydrophobicContact CD1-CG2 4.07Å; L190-A226 HydrophobicContact CD1-CB 4.04Å; L190-A226 HydrophobicContact CD2-CB 4.19Å; L190-T381 HydrophobicContact CD2-CG2 4.45Å; L190-T381 HydrophobicContact CG-CG2 4.37Å
191	S	97.2	Very high	97.6	Very high	63 Å²	63	33.3 Å²	33.3	44%	0.441	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.7	-168.9	63	0	0	0	0	114.4	R185 H187 P188	R185-S191 WeakPolarHBondContact O-CA 3.42Å; H187-S191 WeakPolarHBondContact O-CB 3.33Å; H187-S191 PolarHBondContact O-N 3.48Å; P188-S191 PolarHBondContact O-OG 2.73Å
192	Q	96.4	Very high	97.6	Very high	138 Å²	138	34 Å²	34	65%	0.645	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-37.8	177.7	178.4	177.7	-25.4	0	0	112.8	L190 A232	L190-Q192 PolarHBondContact O-N 2.94Å; L190-Q192 VanDerWaalsContact O-N 3.13Å; Q192-A232 HydrophobicContact CB-CB 4.39Å
193	N	98.3	Very high	97.3	Very high	14 Å²	14	36 Å²	36	8%	0.075	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-7.1	-176.2	-71.1	-19.4	0	0	0	112.7	L190 D195 A230 Y244 A246 R247 I248	L190-N193 PolarHBondContact O-N 2.77Å; N193-D195 PolarHBondContact O-N 3Å; N193-A230 HydrophobicContact CB-CB 4.47Å; N193-A230 PolarHBondContact ND2-O 2.86Å; N193-Y244 PolarHBondContact ND2-O 3.34Å; N193-A246 WeakPolarHBondContact CB-O 3.47Å; N193-R247 CarbonylContact O-C 3.48Å; N193-R247 WeakPolarHBondContact O-CA 3.34Å; N193-I248 HydrophobicContact CB-CG2 4.04Å; N193-I248 PolarHBondContact O-N 2.67Å
194	Y	98.7	Very high	97	Very high	43 Å²	43	39 Å²	39	17%	0.169	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-60.7	131.3	-177.7	174.6	-105.1	0	0	0	112.3	I183 R185 L190 P196 S199 P209 I248	I183-Y194 HydrophobicContact CD1-CD2 4.49Å; I183-Y194 HydrophobicContact CG2-CE2 4.05Å; R185-Y194 HydrophobicContact CB-CD1 3.85Å; R185-Y194 HydrophobicContact CB-CD2 3.42Å; R185-Y194 VanDerWaalsContact CB-CD2 3.42Å; R185-Y194 HydrophobicContact CB-CE1 3.85Å; R185-Y194 HydrophobicContact CB-CE2 3.41Å; R185-Y194 VanDerWaalsContact CB-CE2 3.41Å; R185-Y194 HydrophobicContact CB-CG 3.63Å; R185-Y194 HydrophobicContact CG-CE1 4.33Å; R185-Y194 HydrophobicContact CG-CE2 4.42Å; L190-Y194 PolarHBondContact O-N 3.08Å; Y194-P196 HydrophobicContact CE1-CB 4.1Å; Y194-S199 WeakPolarHBondContact CE2-OG 3.5Å; Y194-S199 WeakPolarHBondContact OH-CB 3.49Å; Y194-S199 PolarHBondContact OH-OG 3.46Å; Y194-P209 HydrophobicContact CE2-CG 4.21Å; Y194-P209 WeakPolarHBondContact OH-CD 3.19Å; Y194-I248 CarbonylContact C-O 3.53Å; Y194-I248 VanDerWaalsContact CA-O 3.29Å; Y194-I248 WeakPolarHBondContact CA-O 3.43Å
195	D	98.6	Very high	96.6	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.048	23%	0.226	C	C	.	.			trans	-119.6	113.1	178	-171.7	-12.1	0	0	0	111.7	N193 Q197 A198 S199 R247 I248 H273	N193-D195 PolarHBondContact O-N 3Å; D195-Q197 VanDerWaalsContact C-N 3.29Å; D195-Q197 PolarHBondContact O-N 3.34Å; D195-Q197 WeakPolarHBondContact OD1-CB 3.28Å; D195-Q197 PolarHBondContact OD1-N 3.4Å; D195-A198 HydrophobicContact CB-CB 4.01Å; D195-A198 PolarHBondContact O-N 2.72Å; D195-S199 PolarHBondContact O-OG 2.86Å; D195-R247 HydrophobicContact CB-CB 3.97Å; D195-R247 HydrophobicContact CB-CG 4.49Å; D195-R247 IonicContact OD2-NE 3.48Å; D195-I248 PolarHBondContact N-O 3.32Å; D195-H273 IonicContact OD1-NE2 3.88Å; D195-H273 IonicContact OD2-CD2 2.84Å; D195-H273 IonicContact OD2-CE1 3.17Å; D195-H273 PolarHBondContact OD2-CE1 2.62Å; D195-H273 IonicContact OD2-NE2 3.11Å; D195-H273 PolarHBondContact OD2-NE2 3.33Å
196	P	98.1	Very high	96.5	Very high	83 Å²	83	41.3 Å²	41.3	54%	0.539	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-67.4	-26.6	177.4	27.5	-34.1	0	0	0	112.9	Y194 A198 S199	Y194-P196 HydrophobicContact CE1-CB 4.1Å; P196-A198 PolarHBondContact O-N 2.93Å; P196-S199 PolarHBondContact O-N 3.4Å
197	Q	98.1	Very high	96.4	Very high	114 Å²	114	44.6 Å²	44.6	53%	0.533	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-75.4	-15.9	176	-70	-178.3	82	0	0	112.4	D195 S199 N270 H273	D195-Q197 VanDerWaalsContact C-N 3.29Å; D195-Q197 PolarHBondContact O-N 3.34Å; D195-Q197 WeakPolarHBondContact OD1-CB 3.28Å; D195-Q197 PolarHBondContact OD1-N 3.4Å; Q197-S199 VanDerWaalsContact C-N 3.32Å; Q197-N270 PolarHBondContact O-ND2 3.41Å; Q197-H273 WeakPolarHBondContact CB-NE2 3.35Å
198	A	98.4	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-93.4	7.8	171.2	0	0	0	0	0	112.7	V175 T177 D195 P196 I274	V175-A198 HydrophobicContact CG1-CB 3.54Å; T177-A198 WeakPolarHBondContact CB-O 3.43Å; T177-A198 PolarHBondContact OG1-O 2.91Å; D195-A198 HydrophobicContact CB-CB 4.01Å; D195-A198 PolarHBondContact O-N 2.72Å; P196-A198 PolarHBondContact O-N 2.93Å; A198-I274 HydrophobicContact CB-CD1 4.19Å; A198-I274 HydrophobicContact CB-CG1 4.07Å
199	S	98.6	Very high	96.2	Very high	2 Å²	2	45 Å²	45	1%	0.014	24%	0.242	C	C	.	.			trans	-127.7	147	-167.5	-64.3	0	0	0	0	113.8	Y194 D195 P196 Q197 G249 G250	Y194-S199 WeakPolarHBondContact CE2-OG 3.5Å; Y194-S199 WeakPolarHBondContact OH-CB 3.49Å; Y194-S199 PolarHBondContact OH-OG 3.46Å; D195-S199 PolarHBondContact O-OG 2.86Å; P196-S199 PolarHBondContact O-N 3.4Å; Q197-S199 VanDerWaalsContact C-N 3.32Å; S199-G249 VanDerWaalsContact OG-CA 3.23Å; S199-G249 WeakPolarHBondContact OG-CA 3.5Å; S199-G250 WeakPolarHBondContact CA-O 3.28Å; S199-G250 WeakPolarHBondContact CB-O 3.48Å; S199-G250 PolarHBondContact OG-N 3.12Å; S199-G250 VanDerWaalsContact OG-N 3.12Å
200	Y	98.2	Very high	96.2	Very high	35 Å²	35	46.8 Å²	46.8	14%	0.137	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	146	173.6	-160.7	-94.3	0	0	0	111.4	V202 N205 D206 L207 G250 V251 R252 R265 L269	Y200-V202 HydrophobicContact CD1-CG2 3.77Å; Y200-V202 HydrophobicContact CE1-CG2 4.45Å; Y200-N205 PolarHBondContact OH-OD1 2.87Å; Y200-N205 VanDerWaalsContact OH-OD1 3.07Å; Y200-D206 WeakPolarHBondContact CD2-O 3.46Å; Y200-D206 WeakPolarHBondContact CE2-O 3.38Å; Y200-L207 HydrophobicContact CD2-CD2 3.83Å; Y200-L207 HydrophobicContact CE2-CD2 3.74Å; Y200-G250 PolarHBondContact N-O 3.17Å; Y200-G250 VanDerWaalsContact N-O 3.11Å; Y200-V251 CarbonylContact O-C 3.54Å; Y200-V251 VanDerWaalsContact O-CA 3.23Å; Y200-V251 WeakPolarHBondContact O-CA 3.35Å; Y200-R252 PolarHBondContact O-N 2.99Å; Y200-R265 VanDerWaalsContact CZ-NH2 3.33Å; Y200-R265 PolarHBondContact OH-NH2 3.1Å; Y200-L269 HydrophobicContact CG-CD1 4.39Å
201	D	97.4	Very high	96.1	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	103.8	166.2	-173.8	-14.8	0	0	0	110	N203 S204 N205 D206 D208 R252	D201-N203 WeakPolarHBondContact OD1-CA 2.99Å; D201-N203 WeakPolarHBondContact OD1-CB 3.41Å; D201-N203 PolarHBondContact OD1-N 2.74Å; D201-S204 PolarHBondContact OD1-N 3.3Å; D201-S204 WeakPolarHBondContact OD2-CB 3.46Å; D201-S204 PolarHBondContact OD2-OG 2.89Å; D201-N205 CarbonylContact O-C 3.03Å; D201-N205 WeakPolarHBondContact O-CA 3.19Å; D201-N205 PolarHBondContact O-N 3.36Å; D201-D206 PolarHBondContact N-O 2.76Å; D201-D206 PolarHBondContact O-N 2.79Å; D201-D206 VanDerWaalsContact O-N 3.08Å; D201-D208 WeakPolarHBondContact CB-O 3.38Å; D201-R252 HydrophobicContact CB-CB 4.22Å; D201-R252 IonicContact OD2-CZ 3.59Å; D201-R252 IonicContact OD2-NE 3.4Å; D201-R252 IonicContact OD2-NH1 2.69Å; D201-R252 PolarHBondContact OD2-NH1 3.44Å
202	V	95.2	Very high	95.9	Very high	15 Å²	15	49.1 Å²	49.1	9%	0.091	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-29.2	178	-177.4	0	0	0	0	111.1	Y200 V251 R252 M253 V262	Y200-V202 HydrophobicContact CD1-CG2 3.77Å; Y200-V202 HydrophobicContact CE1-CG2 4.45Å; V202-V251 HydrophobicContact CG2-CG1 3.61Å; V202-R252 PolarHBondContact N-O 2.85Å; V202-M253 HydrophobicContact CB-CB 4.24Å; V202-V262 HydrophobicContact CG1-CB 4.2Å; V202-V262 HydrophobicContact CG1-CG1 3.8Å; V202-V262 HydrophobicContact CG1-CG2 4.15Å
203	N	90.8	Very high	95.6	Very high	44 Å²	44	46.8 Å²	46.8	24%	0.235	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-40.8	178.9	-63.2	129.6	0	0	0	111.9	D201 R252 M253 L254 D255	D201-N203 WeakPolarHBondContact OD1-CA 2.99Å; D201-N203 WeakPolarHBondContact OD1-CB 3.41Å; D201-N203 PolarHBondContact OD1-N 2.74Å; N203-R252 PolarHBondContact N-O 3.28Å; N203-R252 VanDerWaalsContact OD1-C 3.32Å; N203-R252 PolarHBondContact OD1-O 2.85Å; N203-M253 PolarHBondContact ND2-O 3.15Å; N203-M253 WeakPolarHBondContact OD1-CA 3.46Å; N203-M253 PolarHBondContact OD1-N 2.77Å; N203-M253 PolarHBondContact OD1-O 2.94Å; N203-L254 PolarHBondContact OD1-N 3.48Å; N203-D255 PolarHBondContact OD1-N 2.99Å; N203-D255 VanDerWaalsContact OD1-N 3.1Å
204	S	90.4	Very high	95.1	Very high	62 Å²	62	47.5 Å²	47.5	43%	0.434	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.1	179.8	-47.7	0	0	0	0	113.4	D201 D206 R252	D201-S204 PolarHBondContact OD1-N 3.3Å; D201-S204 WeakPolarHBondContact OD2-CB 3.46Å; D201-S204 PolarHBondContact OD2-OG 2.89Å; S204-D206 WeakPolarHBondContact CB-OD2 3.28Å; S204-R252 PolarHBondContact OG-NH1 3.16Å
205	N	90.8	Very high	94.2	Very high	70 Å²	70	50.5 Å²	50.5	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	52.3	-177	-173.1	57.4	0	0	0	113	Y200 D201 R265	Y200-N205 PolarHBondContact OH-OD1 2.87Å; Y200-N205 VanDerWaalsContact OH-OD1 3.07Å; D201-N205 CarbonylContact O-C 3.03Å; D201-N205 WeakPolarHBondContact O-CA 3.19Å; D201-N205 PolarHBondContact O-N 3.36Å; N205-R265 VanDerWaalsContact OD1-CZ 3.24Å; N205-R265 PolarHBondContact OD1-NH1 3.46Å; N205-R265 PolarHBondContact OD1-NH2 3.31Å
206	D	93.7	Very high	93.5	Very high	65 Å²	65	54.1 Å²	54.1	35%	0.348	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-142.3	-179.4	175.6	67	66.3	0	0	0	111.6	Y200 D201 S204 D208	Y200-D206 WeakPolarHBondContact CD2-O 3.46Å; Y200-D206 WeakPolarHBondContact CE2-O 3.38Å; D201-D206 PolarHBondContact N-O 2.76Å; D201-D206 PolarHBondContact O-N 2.79Å; D201-D206 VanDerWaalsContact O-N 3.08Å; S204-D206 WeakPolarHBondContact CB-OD2 3.28Å; D206-D208 PolarHBondContact OD1-N 3.13Å
207	L	94.1	Very high	92.9	Very high	130 Å²	130	52.2 Å²	52.2	68%	0.681	28%	0.281	S	S	*	.	S	Bend	trans	-87.4	-9.3	-173.8	-63.2	174.1	0	0	0	113.8	Y200 P209	Y200-L207 HydrophobicContact CD2-CD2 3.83Å; Y200-L207 HydrophobicContact CE2-CD2 3.74Å; L207-P209 VanDerWaalsContact O-CD 3.32Å; L207-P209 WeakPolarHBondContact O-CD 3.41Å
208	D	95.2	Very high	92.4	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	28%	0.279	S	S	.	.			trans	-101.5	103.4	-172.1	-167.3	-5.6	0	0	0	111.4	R185 D201 D206 M210	R185-D208 IonicContact CZ-OD1 2.7Å; R185-D208 IonicContact CZ-OD2 3.41Å; R185-D208 IonicContact NE-OD1 2.8Å; R185-D208 PolarHBondContact NE-OD1 3.3Å; R185-D208 IonicContact NE-OD2 3.12Å; R185-D208 PolarHBondContact NE-OD2 3.01Å; R185-D208 IonicContact NH2-OD1 3.54Å; R185-D208 IonicContact NH2-OD2 3.28Å; R185-D208 PolarHBondContact NH2-OD2 3Å; D201-D208 WeakPolarHBondContact CB-O 3.38Å; D206-D208 PolarHBondContact OD1-N 3.13Å; D208-M210 PolarHBondContact O-N 2.82Å; D208-M210 WeakPolarHBondContact OD1-CB 3.39Å; D208-M210 WeakPolarHBondContact OD1-CG 3.27Å; D208-M210 PolarHBondContact OD1-N 3.2Å
209	P	97	Very high	92.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.			trans	-78.5	15.4	-177.8	40.3	-44.2	0	0	0	113.4	G182 I183 Y194 L207 G250 R252	G182-P209 CarbonylContact C-O 3.51Å; G182-P209 WeakPolarHBondContact CA-O 3.36Å; I183-P209 HydrophobicContact CG2-CB 3.96Å; I183-P209 HydrophobicContact CG2-CG 3.47Å; I183-P209 VanDerWaalsContact CG2-CG 3.47Å; I183-P209 PolarHBondContact N-O 2.77Å; Y194-P209 HydrophobicContact CE2-CG 4.21Å; Y194-P209 WeakPolarHBondContact OH-CD 3.19Å; L207-P209 VanDerWaalsContact O-CD 3.32Å; L207-P209 WeakPolarHBondContact O-CD 3.41Å; P209-G250 WeakPolarHBondContact CB-O 3.41Å; P209-R252 HydrophobicContact CB-CB 4.49Å
210	M	96.9	Very high	91.8	Very high	38 Å²	38	54.1 Å²	54.1	19%	0.187	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-53.9	130.1	-178.7	-85.4	-70.9	-71.1	0	0	111	E184 R185 D208 Y213	E184-M210 HydrophobicContact CG-CE 4.28Å; E184-M210 HydrophobicContact CG-SD 4.28Å; R185-M210 HydrophobicContact CG-CG 3.96Å; R185-M210 HydrophobicContact CG-SD 3.76Å; D208-M210 PolarHBondContact O-N 2.82Å; D208-M210 WeakPolarHBondContact OD1-CB 3.39Å; D208-M210 WeakPolarHBondContact OD1-CG 3.27Å; D208-M210 PolarHBondContact OD1-N 3.2Å; M210-Y213 HydrophobicContact CE-CE2 4.17Å; M210-Y213 WeakPolarHBondContact CE-OH 3.41Å
211	P	95.6	Very high	91.7	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.032	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-67.1	144.5	179.4	-15.3	27.8	0	0	0	110.6	I183 E184 Y213 N219 L383	I183-P211 VanDerWaalsContact C-CD 3.48Å; I183-P211 WeakPolarHBondContact O-CD 3.3Å; E184-P211 HydrophobicContact CB-CG 4.39Å; P211-Y213 PolarHBondContact O-N 3.04Å; P211-N219 HydrophobicContact CB-CB 3.91Å; P211-N219 VanDerWaalsContact CB-O 3.25Å; P211-N219 WeakPolarHBondContact CB-O 3.27Å; P211-L383 HydrophobicContact CB-CD1 3.83Å; P211-L383 HydrophobicContact CG-CD1 3.79Å
212	R	92.8	Very high	91.7	Very high	106 Å²	106	52.4 Å²	52.4	40%	0.4	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-73.1	118.9	170.4	-179.8	-177.9	57.5	74.6	2	109.5	D214 N219 D255	R212-D214 IonicContact CZ-OD2 3.86Å; R212-D214 IonicContact NH1-OD2 2.77Å; R212-D214 PolarHBondContact NH1-OD2 3.27Å; R212-D214 IonicContact NH2-OD2 3.65Å; R212-D214 PolarHBondContact NH2-OD2 3Å; R212-N219 PolarHBondContact NH2-ND2 3.19Å; R212-N219 PolarHBondContact O-ND2 3.19Å; R212-D255 VanDerWaalsContact CB-OD2 3.31Å; R212-D255 WeakPolarHBondContact CB-OD2 3.47Å; R212-D255 IonicContact CZ-OD1 3.97Å; R212-D255 IonicContact CZ-OD2 2.97Å; R212-D255 IonicContact NE-OD1 2.81Å; R212-D255 PolarHBondContact NE-OD1 2.82Å; R212-D255 IonicContact NE-OD2 3.99Å; R212-D255 PolarHBondContact NE-OD2 2.74Å; R212-D255 VanDerWaalsContact NE-OD2 3.13Å; R212-D255 IonicContact NH2-OD1 3.86Å; R212-D255 PolarHBondContact NH2-OD1 3.26Å; R212-D255 IonicContact NH2-OD2 3.38Å
213	Y	90.6	Very high	91.9	Very high	90 Å²	90	51.7 Å²	51.7	35%	0.353	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-72.8	130.8	172.6	-60.1	-76.1	0	0	0	111.7	E184 M210 P211 L383 R384	E184-Y213 WeakPolarHBondContact OE1-CE1 3.36Å; E184-Y213 VanDerWaalsContact OE1-CZ 3.24Å; E184-Y213 PolarHBondContact OE1-OH 3.49Å; M210-Y213 HydrophobicContact CE-CE2 4.17Å; M210-Y213 WeakPolarHBondContact CE-OH 3.41Å; P211-Y213 PolarHBondContact O-N 3.04Å; Y213-L383 HydrophobicContact CD1-CD1 4.09Å; Y213-L383 HydrophobicContact CD1-CD2 3.91Å; Y213-L383 HydrophobicContact CD1-CG 3.85Å; Y213-L383 HydrophobicContact CE1-CD1 3.62Å; Y213-L383 HydrophobicContact CE1-CD2 4.25Å; Y213-L383 HydrophobicContact CE1-CG 3.67Å; Y213-R384 HydrophobicContact CD1-CG 3.81Å; Y213-R384 HydrophobicContact CE1-CG 3.74Å
214	D	87.1	Confident	92.2	Very high	29 Å²	29	50.1 Å²	50.1	16%	0.155	27%	0.269	C	S	.	.			trans	-136.7	173.7	167.6	53.7	24.8	0	0	0	111.7	R212 T216 N217 E218 R384	R212-D214 IonicContact CZ-OD2 3.86Å; R212-D214 IonicContact NH1-OD2 2.77Å; R212-D214 PolarHBondContact NH1-OD2 3.27Å; R212-D214 IonicContact NH2-OD2 3.65Å; R212-D214 PolarHBondContact NH2-OD2 3Å; D214-T216 PolarHBondContact O-N 2.92Å; D214-T216 PolarHBondContact OD1-OG1 3.31Å; D214-N217 PolarHBondContact O-N 3.46Å; D214-N217 PolarHBondContact O-OD1 2.91Å; D214-N217 VanDerWaalsContact OD1-CA 3.31Å; D214-N217 WeakPolarHBondContact OD1-CA 3.28Å; D214-N217 PolarHBondContact OD1-N 2.86Å; D214-E218 PolarHBondContact OD1-N 3.4Å; D214-E218 VanDerWaalsContact OD1-N 3.08Å; D214-R384 PolarHBondContact O-NH2 3.04Å
215	A	81.6	Confident	92.6	Very high	105 Å²	105	47.2 Å²	47.2	87%	0.868	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.4	-177.8	0	0	0	0	0	112.8
216	T	82.1	Confident	93	Very high	86 Å²	86	43.9 Å²	43.9	53%	0.528	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.7	-179.3	52	0	0	0	0	112.9	D214 E218	D214-T216 PolarHBondContact O-N 2.92Å; D214-T216 PolarHBondContact OD1-OG1 3.31Å; T216-E218 VanDerWaalsContact C-N 3.27Å; T216-E218 WeakPolarHBondContact CB-OE1 3.36Å; T216-E218 PolarHBondContact O-N 3.03Å; T216-E218 VanDerWaalsContact OG1-CD 3.23Å; T216-E218 VanDerWaalsContact OG1-CG 3.27Å; T216-E218 WeakPolarHBondContact OG1-CG 3.16Å; T216-E218 PolarHBondContact OG1-OE1 2.84Å
217	N	86.8	Confident	93.2	Very high	43 Å²	43	40.8 Å²	40.8	23%	0.23	22%	0.215	C	C	.	.			trans	51.5	47.7	-172.1	-61.3	-42.6	0	0	0	111.1	D214 N219 K220 L383 R384	D214-N217 PolarHBondContact O-N 3.46Å; D214-N217 PolarHBondContact O-OD1 2.91Å; D214-N217 VanDerWaalsContact OD1-CA 3.31Å; D214-N217 WeakPolarHBondContact OD1-CA 3.28Å; D214-N217 PolarHBondContact OD1-N 2.86Å; N217-N219 PolarHBondContact O-N 3.03Å; N217-K220 HydrophobicContact CB-CD 4.43Å; N217-K220 VanDerWaalsContact O-CD 3.29Å; N217-K220 WeakPolarHBondContact O-CD 3.14Å; N217-K220 WeakPolarHBondContact O-CG 3.26Å; N217-L383 HydrophobicContact CB-CD2 4.25Å; N217-R384 PolarHBondContact OD1-NE 2.5Å; N217-R384 PolarHBondContact OD1-NH2 3.41Å
218	E	86.6	Confident	93.4	Very high	103 Å²	103	34.8 Å²	34.8	48%	0.481	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.6	-178.6	-85.7	168.6	-151.3	0	0	113.2	K109 D214 T216	K109-E218 PolarHBondContact NZ-O 3.38Å; D214-E218 PolarHBondContact OD1-N 3.4Å; D214-E218 VanDerWaalsContact OD1-N 3.08Å; T216-E218 VanDerWaalsContact C-N 3.27Å; T216-E218 WeakPolarHBondContact CB-OE1 3.36Å; T216-E218 PolarHBondContact O-N 3.03Å; T216-E218 VanDerWaalsContact OG1-CD 3.23Å; T216-E218 VanDerWaalsContact OG1-CG 3.27Å; T216-E218 WeakPolarHBondContact OG1-CG 3.16Å; T216-E218 PolarHBondContact OG1-OE1 2.84Å
219	N	92.4	Very high	93.6	Very high	3 Å²	3	32 Å²	32	2%	0.016	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	42.7	-178.3	-61.5	-42.5	0	0	0	113.3	K109 D181 P211 R212 N217 D255	K109-N219 PolarHBondContact NZ-OD1 2.86Å; D181-N219 HydrophobicContact CB-CB 4.25Å; D181-N219 VanDerWaalsContact OD2-C 3.24Å; D181-N219 WeakPolarHBondContact OD2-CA 3.23Å; P211-N219 HydrophobicContact CB-CB 3.91Å; P211-N219 VanDerWaalsContact CB-O 3.25Å; P211-N219 WeakPolarHBondContact CB-O 3.27Å; R212-N219 PolarHBondContact NH2-ND2 3.19Å; R212-N219 PolarHBondContact O-ND2 3.19Å; N217-N219 PolarHBondContact O-N 3.03Å; N219-D255 PolarHBondContact ND2-OD1 3.07Å; N219-D255 PolarHBondContact ND2-OD2 3.17Å; N219-D255 VanDerWaalsContact ND2-OD2 3.13Å; N219-D255 PolarHBondContact OD1-OD1 2.7Å
220	K	93.3	Very high	93.7	Very high	49 Å²	49	32 Å²	32	21%	0.213	17%	0.168	C	C	.	.			trans	-97.5	-11.8	-179.3	66.6	-174.3	178.5	178.7	0	113.3	D181 N217 T223 R224 L383	D181-K220 PolarHBondContact OD2-N 2.8Å; N217-K220 HydrophobicContact CB-CD 4.43Å; N217-K220 VanDerWaalsContact O-CD 3.29Å; N217-K220 WeakPolarHBondContact O-CD 3.14Å; N217-K220 WeakPolarHBondContact O-CG 3.26Å; K220-T223 PolarHBondContact O-N 2.78Å; K220-R224 WeakPolarHBondContact O-CG 3.45Å; K220-R224 PolarHBondContact O-N 2.84Å; K220-R224 VanDerWaalsContact O-N 3.16Å; K220-L383 HydrophobicContact CB-CB 3.69Å; K220-L383 HydrophobicContact CB-CD2 4.3Å
221	H	95.8	Very high	93.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.3	-50.9	-163.4	-174	-121	0	0	0	111.8	K109 D111 D180 D181 T223 R224 C225 H391 S395	K109-H221 HydrophobicContact CD-CB 4.28Å; D111-H221 IonicContact OD1-CD2 2.64Å; D111-H221 PolarHBondContact OD1-CD2 3.46Å; D111-H221 IonicContact OD1-CG 3.8Å; D111-H221 IonicContact OD1-NE2 3.78Å; D111-H221 VanDerWaalsContact OD2-CB 3.28Å; D111-H221 WeakPolarHBondContact OD2-CB 3.35Å; D111-H221 IonicContact OD2-CD2 3.71Å; D111-H221 PolarHBondContact OD2-CD2 2.99Å; D111-H221 IonicContact OD2-CG 2.63Å; D180-H221 WeakPolarHBondContact OD1-CB 3.27Å; D180-H221 IonicContact OD1-CG 3.73Å; D180-H221 IonicContact OD1-ND1 3.74Å; D180-H221 PolarHBondContact OD1-ND1 2.93Å; D180-H221 IonicContact OD2-CE1 3.46Å; D180-H221 PolarHBondContact OD2-CE1 3.34Å; D180-H221 VanDerWaalsContact OD2-CE1 3.29Å; D180-H221 IonicContact OD2-CG 3.28Å; D180-H221 IonicContact OD2-ND1 3.61Å; D180-H221 PolarHBondContact OD2-ND1 3.01Å; D181-H221 PolarHBondContact OD1-N 3.27Å; D181-H221 WeakPolarHBondContact OD2-CB 3.28Å; D181-H221 PolarHBondContact OD2-N 2.95Å; D181-H221 VanDerWaalsContact OD2-N 3.08Å; H221-T223 VanDerWaalsContact C-N 3.26Å; H221-T223 PolarHBondContact O-N 2.82Å; H221-R224 WeakPolarHBondContact O-CB 3.24Å; H221-R224 PolarHBondContact O-N 3.3Å; H221-C225 PolarHBondContact O-N 2.9Å; H221-C225 PolarHBondContact O-SG 3.11Å; H221-H391 AromaticContact CD2-CE1 3.76Å; H221-H391 AromaticContact NE2-CE1 3.9Å; H221-S395 WeakPolarHBondContact NE2-CB 3.39Å; H221-S395 PolarHBondContact NE2-OG 3.22Å
222	G	97.3	Very high	93.8	Very high	1 Å²	1	30 Å²	30	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-33.8	179.1	0	0	0	0	0	113.1	D180 D181 G182 A226	D180-G222 PolarHBondContact OD1-N 3.03Å; D181-G222 PolarHBondContact OD1-N 2.87Å; G182-G222 CarbonylContact O-C 3.6Å; G182-G222 WeakPolarHBondContact O-CA 3.31Å; G222-A226 VanDerWaalsContact O-CB 3.3Å; G222-A226 WeakPolarHBondContact O-CB 3.49Å; G222-A226 PolarHBondContact O-N 2.96Å
223	T	98.4	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.9	-36.3	174.5	-59.2	0	0	0	0	112.1	G182 E184 L190 K220 H221 G227 T381	G182-T223 PolarHBondContact O-N 2.86Å; E184-T223 HydrophobicContact CB-CG2 3.79Å; E184-T223 WeakPolarHBondContact CB-OG1 3.49Å; E184-T223 PolarHBondContact N-OG1 3.41Å; L190-T223 HydrophobicContact CD1-CG2 4.07Å; K220-T223 PolarHBondContact O-N 2.78Å; H221-T223 VanDerWaalsContact C-N 3.26Å; H221-T223 PolarHBondContact O-N 2.82Å; T223-G227 PolarHBondContact O-N 3.4Å; T223-T381 PolarHBondContact O-OG1 2.96Å
224	R	98.3	Very high	93.8	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-48.5	174.8	-71.5	167.7	174.8	-135.2	-11.9	111.4	K220 H221 A226 G227 E228 T380 T381 D382 T388	K220-R224 WeakPolarHBondContact O-CG 3.45Å; K220-R224 PolarHBondContact O-N 2.84Å; K220-R224 VanDerWaalsContact O-N 3.16Å; H221-R224 WeakPolarHBondContact O-CB 3.24Å; H221-R224 PolarHBondContact O-N 3.3Å; R224-A226 VanDerWaalsContact C-N 3.32Å; R224-A226 PolarHBondContact O-N 2.93Å; R224-G227 PolarHBondContact O-N 2.76Å; R224-E228 PolarHBondContact O-N 3.19Å; R224-T380 HydrophobicContact CB-CG2 3.69Å; R224-T380 HydrophobicContact CG-CG2 4.06Å; R224-T380 WeakPolarHBondContact O-CG2 3.48Å; R224-T380 PolarHBondContact O-OG1 2.85Å; R224-T381 VanDerWaalsContact CA-O 3.3Å; R224-T381 WeakPolarHBondContact CA-O 3.46Å; R224-T381 WeakPolarHBondContact CG-O 3.09Å; R224-D382 IonicContact CZ-OD1 3.58Å; R224-D382 IonicContact CZ-OD2 3.69Å; R224-D382 IonicContact NE-OD1 3.94Å; R224-D382 PolarHBondContact NE-OD1 2.96Å; R224-D382 IonicContact NE-OD2 3.65Å; R224-D382 VanDerWaalsContact NH2-CG 3.32Å; R224-D382 IonicContact NH2-OD1 2.9Å; R224-D382 PolarHBondContact NH2-OD1 3.04Å; R224-D382 IonicContact NH2-OD2 2.75Å; R224-D382 PolarHBondContact NH2-OD2 2.89Å; R224-T388 HydrophobicContact CG-CG2 4.09Å; R224-T388 PolarHBondContact NH2-OG1 3.33Å; R224-T388 VanDerWaalsContact NH2-OG1 3.16Å
225	C	98.6	Very high	94	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-39.6	177.5	-65.1	0	0	0	0	112.3	I178 H221 G227 E228 V229 P399	I178-C225 HydrophobicContact CD1-CB 4.32Å; I178-C225 HydrophobicContact CG2-CB 3.92Å; H221-C225 PolarHBondContact O-N 2.9Å; H221-C225 PolarHBondContact O-SG 3.11Å; C225-G227 VanDerWaalsContact C-N 3.34Å; C225-G227 PolarHBondContact O-N 2.63Å; C225-E228 WeakPolarHBondContact CA-OE1 3.49Å; C225-E228 PolarHBondContact O-N 2.61Å; C225-V229 PolarHBondContact O-N 3.3Å; C225-P399 HydrophobicContact CB-CB 4.18Å; C225-P399 HydrophobicContact CB-CG 3.51Å; C225-P399 WeakPolarHBondContact O-CB 3.47Å
226	A	98.7	Very high	94.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-38.7	178	0	0	0	0	0	112.8	I178 I183 L190 G222 R224 V229 A230 I248	I178-A226 HydrophobicContact CG1-CB 4Å; I183-A226 HydrophobicContact CD1-CB 3.49Å; I183-A226 VanDerWaalsContact CD1-CB 3.49Å; I183-A226 HydrophobicContact CG1-CB 3.89Å; L190-A226 HydrophobicContact CD1-CB 4.04Å; L190-A226 HydrophobicContact CD2-CB 4.19Å; G222-A226 VanDerWaalsContact O-CB 3.3Å; G222-A226 WeakPolarHBondContact O-CB 3.49Å; G222-A226 PolarHBondContact O-N 2.96Å; R224-A226 VanDerWaalsContact C-N 3.32Å; R224-A226 PolarHBondContact O-N 2.93Å; A226-V229 PolarHBondContact O-N 2.91Å; A226-A230 PolarHBondContact O-N 2.95Å; A226-I248 HydrophobicContact CB-CG1 3.96Å
227	G	98.4	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-39.7	177.3	0	0	0	0	0	113.4	T223 R224 C225 V229 A231 I239 G241 T380 T381	T223-G227 PolarHBondContact O-N 3.4Å; R224-G227 PolarHBondContact O-N 2.76Å; C225-G227 VanDerWaalsContact C-N 3.34Å; C225-G227 PolarHBondContact O-N 2.63Å; G227-V229 PolarHBondContact O-N 2.96Å; G227-A231 WeakPolarHBondContact O-CB 3.34Å; G227-A231 PolarHBondContact O-N 2.81Å; G227-I239 WeakPolarHBondContact O-CD1 3.44Å; G227-G241 WeakPolarHBondContact O-CA 3.35Å; G227-T380 WeakPolarHBondContact CA-OG1 3.39Å; G227-T381 WeakPolarHBondContact CA-OG1 3.35Å; G227-T381 PolarHBondContact N-OG1 2.86Å
228	E	98.7	Very high	95	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-34.9	177.2	-65	175.6	-93.2	0	0	111.7	R224 C225 I242 I378 T380 H391 A396 P399 M400	R224-E228 PolarHBondContact O-N 3.19Å; C225-E228 WeakPolarHBondContact CA-OE1 3.49Å; C225-E228 PolarHBondContact O-N 2.61Å; E228-I242 PolarHBondContact O-N 2.83Å; E228-I378 HydrophobicContact CG-CG2 4.06Å; E228-I378 WeakPolarHBondContact OE2-CG2 3.29Å; E228-T380 HydrophobicContact CG-CG2 4.24Å; E228-T380 PolarHBondContact N-OG1 3.39Å; E228-H391 IonicContact OE1-CD2 2.62Å; E228-H391 PolarHBondContact OE1-CD2 2.86Å; E228-H391 IonicContact OE1-NE2 3.11Å; E228-H391 PolarHBondContact OE1-NE2 2.95Å; E228-A396 WeakPolarHBondContact OE2-CA 3.43Å; E228-A396 WeakPolarHBondContact OE2-CB 3.46Å; E228-P399 HydrophobicContact CB-CB 4.05Å; E228-M400 HydrophobicContact CB-CG 4.48Å
229	V	98.9	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-77.2	-59.6	178.2	-176.4	0	0	0	0	111.3	V176 I178 C225 A226 G227 G241 I242 A243 I248 P399 A403	V176-V229 HydrophobicContact CB-CG1 4.03Å; V176-V229 HydrophobicContact CG1-CG1 4.03Å; V176-V229 HydrophobicContact CG2-CG1 3.93Å; I178-V229 HydrophobicContact CD1-CG2 4.14Å; C225-V229 PolarHBondContact O-N 3.3Å; A226-V229 PolarHBondContact O-N 2.91Å; G227-V229 PolarHBondContact O-N 2.96Å; V229-G241 CarbonylContact O-C 3.49Å; V229-I242 PolarHBondContact O-N 3.3Å; V229-A243 CarbonylContact O-C 3.44Å; V229-A243 VanDerWaalsContact O-C 3.27Å; V229-A243 WeakPolarHBondContact O-CA 3.09Å; V229-A243 PolarHBondContact O-N 2.87Å; V229-I248 HydrophobicContact CB-CD1 4.07Å; V229-I248 HydrophobicContact CG1-CD1 4.06Å; V229-P399 HydrophobicContact CG2-CB 3.87Å; V229-P399 WeakPolarHBondContact CG2-O 3.4Å; V229-A403 HydrophobicContact CB-CB 4.31Å; V229-A403 HydrophobicContact CG1-CB 4.05Å; V229-A403 HydrophobicContact CG2-CB 4.39Å
230	A	98.5	Very high	95.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-143	32.6	-160.8	0	0	0	0	0	113.5	N193 A226 A232 A246 I248	N193-A230 HydrophobicContact CB-CB 4.47Å; N193-A230 PolarHBondContact ND2-O 2.86Å; A226-A230 PolarHBondContact O-N 2.95Å; A230-A232 PolarHBondContact O-N 3.37Å; A230-A246 HydrophobicContact CB-CB 4.46Å; A230-I248 HydrophobicContact CB-CB 3.73Å; A230-I248 HydrophobicContact CB-CG1 4.27Å; A230-I248 HydrophobicContact CB-CG2 3.97Å
231	A	98.4	Very high	95.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-54	133.8	160.2	0	0	0	0	0	110	D189 G227 I239 G241 Y244 T381	D189-A231 CarbonylContact O-C 3.51Å; D189-A231 VanDerWaalsContact O-CA 3.3Å; D189-A231 WeakPolarHBondContact O-CA 3.47Å; D189-A231 WeakPolarHBondContact OD2-CB 3.15Å; G227-A231 WeakPolarHBondContact O-CB 3.34Å; G227-A231 PolarHBondContact O-N 2.81Å; A231-I239 HydrophobicContact CB-CD1 3.79Å; A231-I239 HydrophobicContact CB-CG1 3.68Å; A231-G241 PolarHBondContact O-N 2.95Å; A231-Y244 VanDerWaalsContact O-CB 3.23Å; A231-Y244 WeakPolarHBondContact O-CB 3.29Å; A231-T381 HydrophobicContact CB-CG2 4.32Å
232	A	96.8	Very high	95.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-69.7	138.1	-174.3	0	0	0	0	0	110.8	D189 Q192 A230 N235	D189-A232 PolarHBondContact O-N 3.37Å; D189-A232 PolarHBondContact OD1-N 3.38Å; D189-A232 VanDerWaalsContact OD1-O 3.07Å; Q192-A232 HydrophobicContact CB-CB 4.39Å; A230-A232 PolarHBondContact O-N 3.37Å; A232-N235 WeakPolarHBondContact CB-ND2 3.24Å; A232-N235 PolarHBondContact O-ND2 3.05Å
233	A	92.8	Very high	96	Very high	21 Å²	21	16.1 Å²	16.1	17%	0.174	9%	0.091	C	C	.	.	S	Bend	trans	-85.6	153.3	179.2	0	0	0	0	0	112.2	Y135 N235 V240 Y244	Y135-A233 HydrophobicContact CD1-CB 3.98Å; Y135-A233 HydrophobicContact CE1-CB 3.86Å; A233-N235 VanDerWaalsContact C-N 3.31Å; A233-N235 PolarHBondContact O-N 3.3Å; A233-V240 HydrophobicContact CB-CG1 3.72Å; A233-V240 HydrophobicContact CB-CG2 4.24Å; A233-Y244 HydrophobicContact CB-CD1 4.29Å; A233-Y244 HydrophobicContact CB-CD2 3.54Å; A233-Y244 HydrophobicContact CB-CE2 4.03Å; A233-Y244 HydrophobicContact CB-CG 3.68Å
234	N	90.7	Very high	95.9	Very high	98 Å²	98	17.4 Å²	17.4	52%	0.524	10%	0.096	S	C	.	.	S	Bend	trans	61.4	32.8	169.3	-158	35.7	0	0	0	114.3	Y135 N136 D137	Y135-N234 HydrophobicContact CD1-CB 4.02Å; N136-N234 PolarHBondContact ND2-O 3Å; N136-N234 PolarHBondContact ND2-OD1 3.09Å; N136-N234 WeakPolarHBondContact OD1-CA 3.49Å; N136-N234 PolarHBondContact OD1-O 2.87Å; N136-N234 PolarHBondContact OD1-OD1 2.86Å; D137-N234 PolarHBondContact OD1-N 3.25Å; D137-N234 WeakPolarHBondContact OD2-CA 3.3Å; D137-N234 PolarHBondContact OD2-N 3.41Å
235	N	90.3	Very high	95.9	Very high	36 Å²	36	20.2 Å²	20.2	19%	0.193	11%	0.112	C	C	.	.	S	Bend	trans	-110.3	5.3	-176.7	71.1	15.1	0	0	0	113.2	N136 D137 D189 A232 A233 H237	N136-N235 PolarHBondContact OD1-N 3.08Å; D137-N235 PolarHBondContact OD1-N 2.69Å; D137-N235 VanDerWaalsContact OD1-N 3.1Å; D137-N235 PolarHBondContact OD1-OD1 2.93Å; D189-N235 PolarHBondContact OD1-ND2 2.94Å; D189-N235 PolarHBondContact OD1-OD1 3.06Å; A232-N235 WeakPolarHBondContact CB-ND2 3.24Å; A232-N235 PolarHBondContact O-ND2 3.05Å; A233-N235 VanDerWaalsContact C-N 3.31Å; A233-N235 PolarHBondContact O-N 3.3Å; N235-H237 PolarHBondContact O-CD2 3.19Å; N235-H237 PolarHBondContact O-N 3.04Å; N235-H237 VanDerWaalsContact O-N 3.16Å; N235-H237 WeakPolarHBondContact OD1-CA 3.42Å; N235-H237 VanDerWaalsContact OD1-CB 3.23Å; N235-H237 WeakPolarHBondContact OD1-CB 3.11Å; N235-H237 PolarHBondContact OD1-N 2.94Å
236	S	90.3	Very high	95.9	Very high	71 Å²	71	20.1 Å²	20.1	50%	0.497	11%	0.112	S	C	.	.	S	Bend	trans	62.7	7.9	-176.2	-52.9	0	0	0	0	115.2	N136 D137	N136-S236 PolarHBondContact ND2-OG 3.01Å; N136-S236 VanDerWaalsContact ND2-OG 3.11Å; N136-S236 PolarHBondContact OD1-N 2.83Å; D137-S236 PolarHBondContact OD1-N 2.87Å
237	H	88.4	Confident	95.9	Very high	92 Å²	92	24.8 Å²	24.8	43%	0.426	13%	0.129	S	C	.	.	S	Bend	trans	-96.5	179.9	171.7	-64.3	-77.4	0	0	0	110	D137 A138 P188 D189 N235 I239	D137-H237 CarbonylContact C-O 3.58Å; D137-H237 VanDerWaalsContact CA-O 3.3Å; D137-H237 WeakPolarHBondContact CA-O 3.13Å; D137-H237 VanDerWaalsContact CB-O 3.24Å; D137-H237 WeakPolarHBondContact CB-O 3.17Å; A138-H237 PolarHBondContact N-O 2.87Å; P188-H237 HydrophobicContact CB-CB 4.49Å; D189-H237 HydrophobicContact CB-CB 4.37Å; N235-H237 PolarHBondContact O-CD2 3.19Å; N235-H237 PolarHBondContact O-N 3.04Å; N235-H237 VanDerWaalsContact O-N 3.16Å; N235-H237 WeakPolarHBondContact OD1-CA 3.42Å; N235-H237 VanDerWaalsContact OD1-CB 3.23Å; N235-H237 WeakPolarHBondContact OD1-CB 3.11Å; N235-H237 PolarHBondContact OD1-N 2.94Å; H237-I239 PolarHBondContact O-N 2.69Å
238	C	93.3	Very high	96	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.027	13%	0.129	C	C	.	.	S	Bend	trans	-13.3	-88.6	-174.9	-139	0	0	0	0	118.4	A138 K139 D189 T381 C387	A138-C238 PolarHBondContact N-O 3.19Å; K139-C238 WeakPolarHBondContact CA-O 3.37Å; K139-C238 WeakPolarHBondContact CB-O 3.39Å; K139-C238 PolarHBondContact N-O 3.45Å; D189-C238 HydrophobicContact CB-CB 4.36Å; D189-C238 WeakPolarHBondContact OD2-CB 3.42Å; C238-T381 HydrophobicContact CB-CG2 4.32Å; C238-C387 WeakPolarHBondContact CA-SG 3.35Å; C238-C387 HydrophobicContact CB-CB 4.33Å; C238-C387 WeakPolarHBondContact CB-SG 3.4Å; C238-C387 WeakPolarHBondContact SG-CA 3.28Å; C238-C387 WeakPolarHBondContact SG-CB 3.38Å; C238-C387 CovalentContact SG-SG 2.01Å; C238-C387 PolarHBondContact SG-SG 3.03Å
239	I	95.4	Very high	96	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.			trans	-141.3	176.3	-161.7	56.7	140.8	0	0	0	109.9	K139 M143 D189 G227 A231 H237 I379 T381	K139-I239 HydrophobicContact CB-CG2 3.86Å; M143-I239 HydrophobicContact CE-CB 3.71Å; M143-I239 HydrophobicContact CE-CD1 4.11Å; M143-I239 HydrophobicContact CE-CG2 4.08Å; M143-I239 HydrophobicContact CG-CG2 4.39Å; M143-I239 HydrophobicContact SD-CB 3.73Å; M143-I239 HydrophobicContact SD-CG2 4Å; D189-I239 PolarHBondContact OD2-N 3.41Å; D189-I239 VanDerWaalsContact OD2-N 3.08Å; G227-I239 WeakPolarHBondContact O-CD1 3.44Å; A231-I239 HydrophobicContact CB-CD1 3.79Å; A231-I239 HydrophobicContact CB-CG1 3.68Å; H237-I239 PolarHBondContact O-N 2.69Å; I239-I379 HydrophobicContact CG2-CB 4.47Å; I239-I379 HydrophobicContact CG2-CG2 3.72Å; I239-T381 HydrophobicContact CG1-CG2 4.48Å
240	V	96	Very high	95.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.			trans	-111.2	119	171.3	-178.8	0	0	0	0	109.3	Y135 D137 W140 M143 W165 A233 Y244	Y135-V240 HydrophobicContact CD2-CB 4.49Å; Y135-V240 HydrophobicContact CD2-CG1 4.29Å; Y135-V240 HydrophobicContact CD2-CG2 3.8Å; Y135-V240 HydrophobicContact CE2-CG1 4.22Å; Y135-V240 HydrophobicContact CG-CG2 3.87Å; D137-V240 HydrophobicContact CB-CG2 4.03Å; D137-V240 WeakPolarHBondContact OD2-CG2 3.49Å; W140-V240 HydrophobicContact CE3-CB 4.11Å; W140-V240 HydrophobicContact CE3-CG2 3.74Å; W140-V240 HydrophobicContact CZ3-CB 4.11Å; W140-V240 HydrophobicContact CZ3-CG2 4.14Å; M143-V240 VanDerWaalsContact CE-O 3.27Å; M143-V240 WeakPolarHBondContact CE-O 3.44Å; M143-V240 HydrophobicContact SD-CB 4.48Å; M143-V240 PolarHBondContact SD-N 2.84Å; W165-V240 HydrophobicContact CH2-CB 4.38Å; W165-V240 HydrophobicContact CH2-CG1 3.68Å; W165-V240 HydrophobicContact CZ2-CG1 4.18Å; W165-V240 HydrophobicContact CZ3-CG1 4.41Å; A233-V240 HydrophobicContact CB-CG1 3.72Å; A233-V240 HydrophobicContact CB-CG2 4.24Å; V240-Y244 HydrophobicContact CG1-CD1 3.58Å; V240-Y244 HydrophobicContact CG1-CE1 4.34Å; V240-Y244 HydrophobicContact CG1-CG 3.95Å
241	G	97.8	Very high	95.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.			trans	-61.6	148.5	174.6	0	0	0	0	0	111.2	G227 V229 A231 A243 Y244	G227-G241 WeakPolarHBondContact O-CA 3.35Å; V229-G241 CarbonylContact O-C 3.49Å; A231-G241 PolarHBondContact O-N 2.95Å; G241-A243 PolarHBondContact O-N 3.39Å; G241-Y244 WeakPolarHBondContact O-CB 3.44Å; G241-Y244 WeakPolarHBondContact O-CD1 3.44Å; G241-Y244 PolarHBondContact O-N 2.95Å
242	I	98.6	Very high	95.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.4	179.5	-69.3	175.6	0	0	0	111.2	I146 I161 W165 E228 V229 M400 A403 I404 L407	I146-I242 HydrophobicContact CD1-CG1 4.16Å; I161-I242 HydrophobicContact CD1-CD1 3.67Å; I161-I242 HydrophobicContact CD1-CG1 3.84Å; I161-I242 HydrophobicContact CD1-CG2 4.34Å; I161-I242 HydrophobicContact CG1-CG2 4.23Å; I161-I242 HydrophobicContact CG2-CG2 4.08Å; W165-I242 PolarHBondContact NE1-O 2.81Å; E228-I242 PolarHBondContact O-N 2.83Å; V229-I242 PolarHBondContact O-N 3.3Å; I242-M400 HydrophobicContact CD1-CB 3.77Å; I242-M400 HydrophobicContact CD1-CG 3.6Å; I242-M400 HydrophobicContact CD1-SD 4.25Å; I242-A403 HydrophobicContact CB-CB 3.5Å; I242-A403 VanDerWaalsContact CB-CB 3.5Å; I242-A403 HydrophobicContact CD1-CB 4.44Å; I242-A403 HydrophobicContact CG1-CB 4.5Å; I242-A403 HydrophobicContact CG2-CB 3.61Å; I242-I404 HydrophobicContact CG2-CG1 4.06Å; I242-L407 HydrophobicContact CG2-CD1 4.06Å
243	A	98.4	Very high	95.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	57.5	174.7	0	0	0	0	0	109.5	T170 V229 G241 N245 A246 A403 A406 L407	T170-A243 CarbonylContact O-C 3.59Å; T170-A243 VanDerWaalsContact O-CA 3.23Å; T170-A243 WeakPolarHBondContact O-CA 3.44Å; V229-A243 CarbonylContact O-C 3.44Å; V229-A243 VanDerWaalsContact O-C 3.27Å; V229-A243 WeakPolarHBondContact O-CA 3.09Å; V229-A243 PolarHBondContact O-N 2.87Å; G241-A243 PolarHBondContact O-N 3.39Å; A243-N245 PolarHBondContact O-N 2.84Å; A243-A246 HydrophobicContact CB-CB 3.91Å; A243-A246 VanDerWaalsContact O-CB 3.23Å; A243-A246 WeakPolarHBondContact O-CB 3.42Å; A243-A246 PolarHBondContact O-N 2.85Å; A243-A403 HydrophobicContact CB-CB 4.09Å; A243-A406 HydrophobicContact CB-CB 3.96Å; A243-L407 HydrophobicContact CB-CD2 4.18Å
244	Y	97.9	Very high	95.9	Very high	27 Å²	27	26 Å²	26	11%	0.106	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.4	-172.3	60.2	-99.8	0	0	0	116.3	Y135 W165 T170 N193 A231 A233 V240 G241	Y135-Y244 WeakPolarHBondContact OH-CE1 3.13Å; Y135-Y244 VanDerWaalsContact OH-CZ 3.25Å; Y135-Y244 PolarHBondContact OH-OH 2.96Å; W165-Y244 AromaticContact CD2-CE1 3.79Å; W165-Y244 HydrophobicContact CD2-CE1 3.79Å; W165-Y244 AromaticContact CE2-CD1 3.85Å; W165-Y244 AromaticContact CE2-CE1 3.52Å; W165-Y244 HydrophobicContact CE3-CE1 4.28Å; W165-Y244 HydrophobicContact CG-CE1 4.17Å; W165-Y244 HydrophobicContact CH2-CD1 4.25Å; W165-Y244 HydrophobicContact CH2-CE1 4.28Å; W165-Y244 AromaticContact CZ2-CD1 3.69Å; W165-Y244 HydrophobicContact CZ2-CD1 3.69Å; W165-Y244 AromaticContact CZ2-CE1 3.78Å; W165-Y244 HydrophobicContact CZ2-CE1 3.78Å; W165-Y244 HydrophobicContact CZ3-CE1 4.5Å; W165-Y244 AromaticContact NE1-CE1 3.76Å; T170-Y244 HydrophobicContact CG2-CE1 4.01Å; T170-Y244 HydrophobicContact CG2-CE2 3.9Å; T170-Y244 WeakPolarHBondContact CG2-OH 3.19Å; T170-Y244 PolarHBondContact O-N 2.87Å; N193-Y244 PolarHBondContact ND2-O 3.34Å; A231-Y244 VanDerWaalsContact O-CB 3.23Å; A231-Y244 WeakPolarHBondContact O-CB 3.29Å; A233-Y244 HydrophobicContact CB-CD1 4.29Å; A233-Y244 HydrophobicContact CB-CD2 3.54Å; A233-Y244 HydrophobicContact CB-CE2 4.03Å; A233-Y244 HydrophobicContact CB-CG 3.68Å; V240-Y244 HydrophobicContact CG1-CD1 3.58Å; V240-Y244 HydrophobicContact CG1-CE1 4.34Å; V240-Y244 HydrophobicContact CG1-CG 3.95Å; G241-Y244 WeakPolarHBondContact O-CB 3.44Å; G241-Y244 WeakPolarHBondContact O-CD1 3.44Å; G241-Y244 PolarHBondContact O-N 2.95Å
245	N	98	Very high	95.9	Very high	69 Å²	69	22.6 Å²	22.6	37%	0.369	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	4	170.6	-77.6	-35.3	0	0	0	113.2	T170 K172 A243	T170-N245 WeakPolarHBondContact CB-ND2 3.32Å; T170-N245 PolarHBondContact O-N 2.93Å; T170-N245 WeakPolarHBondContact OG1-CB 3.37Å; T170-N245 PolarHBondContact OG1-ND2 3.47Å; K172-N245 HydrophobicContact CB-CB 4.29Å; A243-N245 PolarHBondContact O-N 2.84Å
246	A	98.7	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-71.6	153	170.4	0	0	0	0	0	110.9	G171 N193 A230 A243	G171-A246 WeakPolarHBondContact O-CA 3.41Å; G171-A246 VanDerWaalsContact O-CB 3.31Å; G171-A246 WeakPolarHBondContact O-CB 3.42Å; G171-A246 PolarHBondContact O-N 2.69Å; N193-A246 WeakPolarHBondContact CB-O 3.47Å; A230-A246 HydrophobicContact CB-CB 4.46Å; A243-A246 HydrophobicContact CB-CB 3.91Å; A243-A246 VanDerWaalsContact O-CB 3.23Å; A243-A246 WeakPolarHBondContact O-CB 3.42Å; A243-A246 PolarHBondContact O-N 2.85Å
247	R	98.8	Very high	95.5	Very high	97 Å²	97	22 Å²	22	37%	0.366	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.3	168.6	-76.9	-180	-66.8	177.8	1.4	109.5	D173 V174 V175 V176 N193 D195	D173-R247 PolarHBondContact O-NH2 2.85Å; V174-R247 PolarHBondContact O-N 2.89Å; V175-R247 HydrophobicContact CG2-CB 4.17Å; V175-R247 VanDerWaalsContact CG2-CZ 3.46Å; V176-R247 PolarHBondContact N-O 3.25Å; N193-R247 CarbonylContact O-C 3.48Å; N193-R247 WeakPolarHBondContact O-CA 3.34Å; D195-R247 HydrophobicContact CB-CB 3.97Å; D195-R247 HydrophobicContact CB-CG 4.49Å; D195-R247 IonicContact OD2-NE 3.48Å
248	I	98.8	Very high	95.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.5	-175.6	-167.2	64.3	0	0	0	111.8	V176 I178 I183 N193 Y194 D195 A226 V229 A230	V176-I248 HydrophobicContact CB-CD1 3.88Å; V176-I248 HydrophobicContact CG1-CD1 4.07Å; V176-I248 CarbonylContact O-C 3.43Å; V176-I248 WeakPolarHBondContact O-CA 3.38Å; I178-I248 HydrophobicContact CD1-CD1 4.14Å; I178-I248 HydrophobicContact CG1-CD1 4Å; I183-I248 HydrophobicContact CD1-CG1 4.15Å; I183-I248 HydrophobicContact CD1-CG2 4.42Å; N193-I248 HydrophobicContact CB-CG2 4.04Å; N193-I248 PolarHBondContact O-N 2.67Å; Y194-I248 CarbonylContact C-O 3.53Å; Y194-I248 VanDerWaalsContact CA-O 3.29Å; Y194-I248 WeakPolarHBondContact CA-O 3.43Å; D195-I248 PolarHBondContact N-O 3.32Å; A226-I248 HydrophobicContact CB-CG1 3.96Å; V229-I248 HydrophobicContact CB-CD1 4.07Å; V229-I248 HydrophobicContact CG1-CD1 4.06Å; A230-I248 HydrophobicContact CB-CB 3.73Å; A230-I248 HydrophobicContact CB-CG1 4.27Å; A230-I248 HydrophobicContact CB-CG2 3.97Å
249	G	98.6	Very high	95.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	178.3	170.8	0	0	0	0	0	112.4	V176 I178 S199	V176-G249 PolarHBondContact O-N 3.03Å; I178-G249 PolarHBondContact N-O 2.86Å; S199-G249 VanDerWaalsContact OG-CA 3.23Å; S199-G249 WeakPolarHBondContact OG-CA 3.5Å
250	G	98.3	Very high	95.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	142	173	0	0	0	0	0	111.9	I178 S199 Y200 P209	I178-G250 CarbonylContact O-C 3.47Å; I178-G250 WeakPolarHBondContact O-CA 3.35Å; S199-G250 WeakPolarHBondContact CA-O 3.28Å; S199-G250 WeakPolarHBondContact CB-O 3.48Å; S199-G250 PolarHBondContact OG-N 3.12Å; S199-G250 VanDerWaalsContact OG-N 3.12Å; Y200-G250 PolarHBondContact N-O 3.17Å; Y200-G250 VanDerWaalsContact N-O 3.11Å; P209-G250 WeakPolarHBondContact CB-O 3.41Å
251	V	98.6	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.2	173.5	-174.3	0	0	0	0	108.7	I178 L179 D180 Y200 V202 M253 L269	I178-V251 PolarHBondContact O-N 2.83Å; L179-V251 HydrophobicContact CD2-CB 3.6Å; L179-V251 HydrophobicContact CD2-CG1 4.36Å; L179-V251 HydrophobicContact CD2-CG2 3.42Å; L179-V251 VanDerWaalsContact CD2-CG2 3.42Å; D180-V251 CarbonylContact C-O 3.55Å; D180-V251 PolarHBondContact N-O 3.25Å; D180-V251 VanDerWaalsContact O-O 3.04Å; Y200-V251 CarbonylContact O-C 3.54Å; Y200-V251 VanDerWaalsContact O-CA 3.23Å; Y200-V251 WeakPolarHBondContact O-CA 3.35Å; V202-V251 HydrophobicContact CG2-CG1 3.61Å; V251-M253 HydrophobicContact CG1-CB 4.26Å; V251-M253 HydrophobicContact CG1-CG 4.27Å; V251-M253 PolarHBondContact O-N 2.88Å; V251-L269 HydrophobicContact CG2-CD2 3.36Å
252	R	98	Very high	94.7	Very high	30 Å²	30	19.7 Å²	19.7	11%	0.113	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	102.9	173.7	-179.7	165.7	169.6	-122.5	-14.4	108.8	Y200 D201 V202 N203 S204 P209 D255	Y200-R252 PolarHBondContact O-N 2.99Å; D201-R252 HydrophobicContact CB-CB 4.22Å; D201-R252 IonicContact OD2-CZ 3.59Å; D201-R252 IonicContact OD2-NE 3.4Å; D201-R252 IonicContact OD2-NH1 2.69Å; D201-R252 PolarHBondContact OD2-NH1 3.44Å; V202-R252 PolarHBondContact N-O 2.85Å; N203-R252 PolarHBondContact N-O 3.28Å; N203-R252 VanDerWaalsContact OD1-C 3.32Å; N203-R252 PolarHBondContact OD1-O 2.85Å; S204-R252 PolarHBondContact OG-NH1 3.16Å; P209-R252 HydrophobicContact CB-CB 4.49Å; R252-D255 HydrophobicContact CG-CB 4.41Å; R252-D255 IonicContact CZ-OD2 3.56Å; R252-D255 IonicContact NE-OD2 3.62Å; R252-D255 PolarHBondContact NE-OD2 2.86Å; R252-D255 IonicContact NH2-OD2 3.14Å; R252-D255 PolarHBondContact NH2-OD2 3.49Å
253	M	96.2	Very high	94.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.			trans	-134.4	-15.5	-177.1	59.8	82.5	69.9	0	0	113.9	D180 V202 N203 V251 V258 V262 E263 S266 W281	D180-M253 PolarHBondContact O-N 2.71Å; V202-M253 HydrophobicContact CB-CB 4.24Å; N203-M253 PolarHBondContact ND2-O 3.15Å; N203-M253 WeakPolarHBondContact OD1-CA 3.46Å; N203-M253 PolarHBondContact OD1-N 2.77Å; N203-M253 PolarHBondContact OD1-O 2.94Å; V251-M253 HydrophobicContact CG1-CB 4.26Å; V251-M253 HydrophobicContact CG1-CG 4.27Å; V251-M253 PolarHBondContact O-N 2.88Å; M253-V258 HydrophobicContact CE-CG1 4.27Å; M253-V262 HydrophobicContact CB-CG1 3.93Å; M253-V262 HydrophobicContact CE-CG1 4.3Å; M253-E263 HydrophobicContact CE-CG 4.3Å; M253-S266 WeakPolarHBondContact CB-OG 3.41Å; M253-W281 HydrophobicContact CE-CH2 4.05Å; M253-W281 HydrophobicContact CE-CZ2 3.64Å; M253-W281 HydrophobicContact SD-CZ2 4.28Å
254	L	93.5	Very high	94.5	Very high	20 Å²	20	19.6 Å²	19.6	11%	0.105	10%	0.103	C	C	.	.	S	Bend	trans	-95.1	-8.4	179.7	-60.7	-179.6	0	0	0	115.3	R107 K109 D180 D181 N203 G256 V258 W281	R107-L254 HydrophobicContact CB-CD2 4.2Å; K109-L254 HydrophobicContact CD-CD1 4.48Å; K109-L254 HydrophobicContact CG-CB 4.38Å; K109-L254 HydrophobicContact CG-CD1 3.66Å; D180-L254 HydrophobicContact CB-CD1 4.41Å; D180-L254 PolarHBondContact O-N 3.45Å; D181-L254 HydrophobicContact CB-CB 4.35Å; N203-L254 PolarHBondContact OD1-N 3.48Å; L254-G256 PolarHBondContact O-N 3.18Å; L254-V258 HydrophobicContact CD2-CG2 4.04Å; L254-W281 HydrophobicContact CD1-CB 3.92Å; L254-W281 HydrophobicContact CD1-CG 4.01Å; L254-W281 HydrophobicContact CD2-CB 4.21Å; L254-W281 HydrophobicContact CD2-CD2 4.5Å; L254-W281 HydrophobicContact CD2-CG 4.07Å
255	D	90.4	Very high	94.4	Very high	28 Å²	28	21.1 Å²	21.1	15%	0.15	11%	0.109	C	C	.	.	S	Bend	trans	-91.4	49.1	177.3	-171.5	37.2	0	0	0	111	N203 R212 N219 R252	N203-D255 PolarHBondContact OD1-N 2.99Å; N203-D255 VanDerWaalsContact OD1-N 3.1Å; R212-D255 VanDerWaalsContact CB-OD2 3.31Å; R212-D255 WeakPolarHBondContact CB-OD2 3.47Å; R212-D255 IonicContact CZ-OD1 3.97Å; R212-D255 IonicContact CZ-OD2 2.97Å; R212-D255 IonicContact NE-OD1 2.81Å; R212-D255 PolarHBondContact NE-OD1 2.82Å; R212-D255 IonicContact NE-OD2 3.99Å; R212-D255 PolarHBondContact NE-OD2 2.74Å; R212-D255 VanDerWaalsContact NE-OD2 3.13Å; R212-D255 IonicContact NH2-OD1 3.86Å; R212-D255 PolarHBondContact NH2-OD1 3.26Å; R212-D255 IonicContact NH2-OD2 3.38Å; N219-D255 PolarHBondContact ND2-OD1 3.07Å; N219-D255 PolarHBondContact ND2-OD2 3.17Å; N219-D255 VanDerWaalsContact ND2-OD2 3.13Å; N219-D255 PolarHBondContact OD1-OD1 2.7Å; R252-D255 HydrophobicContact CG-CB 4.41Å; R252-D255 IonicContact CZ-OD2 3.56Å; R252-D255 IonicContact NE-OD2 3.62Å; R252-D255 PolarHBondContact NE-OD2 2.86Å; R252-D255 IonicContact NH2-OD2 3.14Å; R252-D255 PolarHBondContact NH2-OD2 3.49Å
256	G	87.4	Confident	94.4	Very high	40 Å²	40	17.9 Å²	17.9	41%	0.412	9%	0.091	S	C	.	.	S	Bend	trans	178	-172.7	-176.7	0	0	0	0	0	114.1	L254 V258	L254-G256 PolarHBondContact O-N 3.18Å; G256-V258 PolarHBondContact O-N 3.03Å; G256-V258 VanDerWaalsContact O-N 3.17Å
257	D	84.8	Confident	94.3	Very high	53 Å²	53	17.9 Å²	17.9	28%	0.283	9%	0.091	S	C	.	.			trans	-69.7	108.6	175	-75.8	-20	0	0	0	109.5	R78 V104	R78-D257 IonicContact CZ-OD1 3.54Å; R78-D257 IonicContact CZ-OD2 3.11Å; R78-D257 IonicContact NE-OD2 2.79Å; R78-D257 PolarHBondContact NE-OD2 3.06Å; R78-D257 VanDerWaalsContact NH2-CG 3.25Å; R78-D257 IonicContact NH2-OD1 2.8Å; R78-D257 PolarHBondContact NH2-OD1 2.87Å; R78-D257 IonicContact NH2-OD2 2.63Å; R78-D257 PolarHBondContact NH2-OD2 3.17Å; V104-D257 HydrophobicContact CG1-CB 4.1Å; V104-D257 HydrophobicContact CG2-CB 4.07Å
258	V	88.9	Confident	94.3	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.03	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-80.3	125.7	176.6	-172.9	0	0	0	0	109.4	K105 R107 M253 L254 G256 V262 E263	K105-V258 WeakPolarHBondContact CA-O 3.42Å; K105-V258 PolarHBondContact N-O 3.18Å; R107-V258 HydrophobicContact CB-CG2 4.32Å; R107-V258 HydrophobicContact CG-CB 4.08Å; R107-V258 HydrophobicContact CG-CG1 3.79Å; R107-V258 HydrophobicContact CG-CG2 4.32Å; M253-V258 HydrophobicContact CE-CG1 4.27Å; L254-V258 HydrophobicContact CD2-CG2 4.04Å; G256-V258 PolarHBondContact O-N 3.03Å; G256-V258 VanDerWaalsContact O-N 3.17Å; V258-V262 HydrophobicContact CG1-CG1 4.36Å; V258-E263 HydrophobicContact CG1-CG 3.81Å
259	T	90.3	Very high	94.2	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.043	8%	0.081	C	C	.	.			trans	-124.9	171.6	174.9	71.1	0	0	0	0	110.4	T32 Q102 M261 V262 E263	T32-T259 HydrophobicContact CG2-CG2 4.39Å; Q102-T259 HydrophobicContact CB-CG2 4.25Å; T259-M261 PolarHBondContact O-N 3.26Å; T259-V262 WeakPolarHBondContact O-CB 3.15Å; T259-V262 PolarHBondContact O-N 2.71Å; T259-V262 VanDerWaalsContact O-N 3.08Å; T259-V262 PolarHBondContact OG1-N 3.25Å; T259-E263 WeakPolarHBondContact O-CG 3.45Å; T259-E263 PolarHBondContact O-N 3.4Å
260	D	91.2	Very high	94.2	Very high	6 Å²	6	18 Å²	18	3%	0.032	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-38.1	176.3	-163	47	0	0	0	112.5	K105 E263 A264 A294 T295 L296 A297	K105-D260 IonicContact NZ-OD1 3.36Å; K105-D260 PolarHBondContact NZ-OD1 3.01Å; D260-E263 PolarHBondContact O-N 3.25Å; D260-A264 VanDerWaalsContact O-CB 3.31Å; D260-A264 WeakPolarHBondContact O-CB 3.38Å; D260-A264 PolarHBondContact O-N 2.81Å; D260-A294 HydrophobicContact CB-CB 4.32Å; D260-A294 WeakPolarHBondContact OD1-CA 3.5Å; D260-A294 VanDerWaalsContact OD1-CB 3.25Å; D260-A294 WeakPolarHBondContact OD1-CB 3.34Å; D260-A294 PolarHBondContact OD1-N 3.04Å; D260-T295 PolarHBondContact OD2-N 2.74Å; D260-L296 VanDerWaalsContact OD2-CB 3.26Å; D260-L296 WeakPolarHBondContact OD2-CB 3.21Å; D260-L296 WeakPolarHBondContact OD2-CG 3.44Å; D260-L296 PolarHBondContact OD2-N 3.15Å; D260-A297 WeakPolarHBondContact OD1-CB 3.42Å; D260-A297 PolarHBondContact OD1-N 2.8Å
261	M	90.8	Very high	94.1	Very high	16 Å²	16	18.8 Å²	18.8	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-63.9	-39.8	173.4	179.2	-174.4	77.8	0	0	112.9	I61 H69 Q102 T259 R265 L296	I61-M261 HydrophobicContact CD1-CG 3.9Å; I61-M261 HydrophobicContact CD1-SD 4.09Å; I61-M261 HydrophobicContact CG1-CG 4.02Å; I61-M261 HydrophobicContact CG1-SD 4.26Å; I61-M261 HydrophobicContact CG2-CG 3.87Å; H69-M261 HydrophobicContact CB-SD 3.62Å; H69-M261 VanDerWaalsContact CD2-SD 3.5Å; Q102-M261 HydrophobicContact CG-CB 4.28Å; Q102-M261 VanDerWaalsContact OE1-CB 3.3Å; T259-M261 PolarHBondContact O-N 3.26Å; M261-R265 VanDerWaalsContact O-CB 3.27Å; M261-R265 WeakPolarHBondContact O-CB 3.49Å; M261-R265 PolarHBondContact O-N 2.79Å; M261-L296 HydrophobicContact CB-CD1 4.25Å
262	V	93.6	Very high	94.1	Very high	14 Å²	14	23.4 Å²	23.4	9%	0.085	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-45.9	176.9	169.1	0	0	0	0	110.2	V202 M253 V258 T259 S266	V202-V262 HydrophobicContact CG1-CB 4.2Å; V202-V262 HydrophobicContact CG1-CG1 3.8Å; V202-V262 HydrophobicContact CG1-CG2 4.15Å; M253-V262 HydrophobicContact CB-CG1 3.93Å; M253-V262 HydrophobicContact CE-CG1 4.3Å; V258-V262 HydrophobicContact CG1-CG1 4.36Å; T259-V262 WeakPolarHBondContact O-CB 3.15Å; T259-V262 PolarHBondContact O-N 2.71Å; T259-V262 VanDerWaalsContact O-N 3.08Å; T259-V262 PolarHBondContact OG1-N 3.25Å; V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.47Å; V262-S266 PolarHBondContact O-OG 2.77Å
263	E	96.3	Very high	94.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.9	-52	175.5	-68.3	167.4	169.1	0	0	110.7	K105 R107 M253 V258 T259 D260 R265 S266 L267 W281 A297 Y335	K105-E263 IonicContact NZ-OE2 3.28Å; K105-E263 PolarHBondContact NZ-OE2 3.33Å; R107-E263 IonicContact CZ-OE1 2.62Å; R107-E263 IonicContact NE-OE1 3.94Å; R107-E263 PolarHBondContact NE-OE1 2.64Å; R107-E263 IonicContact NH2-OE1 3.94Å; R107-E263 PolarHBondContact NH2-OE1 2.63Å; R107-E263 IonicContact NH2-OE2 2.83Å; M253-E263 HydrophobicContact CE-CG 4.3Å; V258-E263 HydrophobicContact CG1-CG 3.81Å; T259-E263 WeakPolarHBondContact O-CG 3.45Å; T259-E263 PolarHBondContact O-N 3.4Å; D260-E263 PolarHBondContact O-N 3.25Å; E263-R265 PolarHBondContact O-N 2.99Å; E263-S266 PolarHBondContact O-N 3.2Å; E263-L267 WeakPolarHBondContact O-CB 3.46Å; E263-L267 VanDerWaalsContact O-CG 3.29Å; E263-L267 WeakPolarHBondContact O-CG 3.49Å; E263-L267 PolarHBondContact O-N 3.29Å; E263-W281 HydrophobicContact CB-CH2 4.41Å; E263-W281 HydrophobicContact CG-CH2 4.02Å; E263-W281 HydrophobicContact CG-CZ3 4.15Å; E263-A297 HydrophobicContact CB-CB 3.98Å; E263-Y335 PolarHBondContact OE1-OH 2.83Å; E263-Y335 PolarHBondContact OE2-OH 3.42Å
264	A	95.9	Very high	94.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-44	-179.1	0	0	0	0	0	112.9	I61 L64 D260 S266 L267 S268 L296 A300	I61-A264 HydrophobicContact CG2-CB 4.49Å; L64-A264 HydrophobicContact CD1-CB 4.2Å; D260-A264 VanDerWaalsContact O-CB 3.31Å; D260-A264 WeakPolarHBondContact O-CB 3.38Å; D260-A264 PolarHBondContact O-N 2.81Å; A264-S266 VanDerWaalsContact C-N 3.32Å; A264-S266 PolarHBondContact O-N 3.43Å; A264-L267 PolarHBondContact O-N 2.83Å; A264-S268 WeakPolarHBondContact O-CB 3.26Å; A264-S268 PolarHBondContact O-N 2.59Å; A264-S268 PolarHBondContact O-OG 3.33Å; A264-L296 HydrophobicContact CB-CB 3.58Å; A264-A300 HydrophobicContact CB-CB 4.2Å
265	R	95.6	Very high	94.5	Very high	59 Å²	59	24.3 Å²	24.3	22%	0.223	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-35.5	178	-172.7	172.5	-176.8	-177.9	-0.5	112.3	Y200 N205 M261 E263 L269	Y200-R265 VanDerWaalsContact CZ-NH2 3.33Å; Y200-R265 PolarHBondContact OH-NH2 3.1Å; N205-R265 VanDerWaalsContact OD1-CZ 3.24Å; N205-R265 PolarHBondContact OD1-NH1 3.46Å; N205-R265 PolarHBondContact OD1-NH2 3.31Å; M261-R265 VanDerWaalsContact O-CB 3.27Å; M261-R265 WeakPolarHBondContact O-CB 3.49Å; M261-R265 PolarHBondContact O-N 2.79Å; E263-R265 PolarHBondContact O-N 2.99Å; R265-L269 PolarHBondContact O-N 2.88Å
266	S	97.6	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.2	-45.9	177	-53.9	0	0	0	0	111.2	M253 V262 E263 A264 S268 L269	M253-S266 WeakPolarHBondContact CB-OG 3.41Å; V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.47Å; V262-S266 PolarHBondContact O-OG 2.77Å; E263-S266 PolarHBondContact O-N 3.2Å; A264-S266 VanDerWaalsContact C-N 3.32Å; A264-S266 PolarHBondContact O-N 3.43Å; S266-S268 VanDerWaalsContact C-N 3.27Å; S266-S268 PolarHBondContact O-N 3.35Å; S266-L269 PolarHBondContact O-N 3.13Å
267	L	97.9	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-26.4	179.2	-71.8	168.3	0	0	0	113.7	L179 E263 A264 A297 A300 F301 F316 W318	L179-L267 HydrophobicContact CD1-CD2 3.9Å; E263-L267 WeakPolarHBondContact O-CB 3.46Å; E263-L267 VanDerWaalsContact O-CG 3.29Å; E263-L267 WeakPolarHBondContact O-CG 3.49Å; E263-L267 PolarHBondContact O-N 3.29Å; A264-L267 PolarHBondContact O-N 2.83Å; L267-A297 HydrophobicContact CD1-CB 4.14Å; L267-A300 HydrophobicContact CB-CB 3.83Å; L267-A300 HydrophobicContact CD1-CB 4.41Å; L267-F301 HydrophobicContact CD1-CD2 4.09Å; L267-F301 HydrophobicContact CD1-CE1 4.21Å; L267-F301 HydrophobicContact CD1-CE2 3.75Å; L267-F301 HydrophobicContact CD1-CG 4.46Å; L267-F301 HydrophobicContact CD1-CZ 3.82Å; L267-F301 HydrophobicContact CD2-CD1 4.25Å; L267-F301 HydrophobicContact CD2-CE1 3.57Å; L267-F301 HydrophobicContact CD2-CE2 4.49Å; L267-F301 HydrophobicContact CD2-CZ 3.71Å; L267-F301 HydrophobicContact CG-CZ 4.44Å; L267-F316 HydrophobicContact CD2-CD1 3.98Å; L267-F316 HydrophobicContact CD2-CE1 3.86Å; L267-W318 HydrophobicContact CD2-CH2 3.84Å; L267-W318 HydrophobicContact CD2-CZ3 3.93Å
268	S	97.2	Very high	96.1	Very high	5 Å²	5	18.6 Å²	18.6	4%	0.035	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.9	-179.1	58.6	0	0	0	0	113.7	G62 D63 A264 S266 N270 P271	G62-S268 WeakPolarHBondContact CA-OG 3.22Å; D63-S268 VanDerWaalsContact CG-CB 3.48Å; D63-S268 WeakPolarHBondContact OD1-CB 3.21Å; A264-S268 WeakPolarHBondContact O-CB 3.26Å; A264-S268 PolarHBondContact O-N 2.59Å; A264-S268 PolarHBondContact O-OG 3.33Å; S266-S268 VanDerWaalsContact C-N 3.27Å; S266-S268 PolarHBondContact O-N 3.35Å; S268-N270 PolarHBondContact O-N 2.81Å; S268-P271 WeakPolarHBondContact O-CD 3.19Å
269	L	97.8	Very high	96.5	Very high	20 Å²	20	18.4 Å²	18.4	11%	0.105	9%	0.091	C	C	.	.	S	Bend	trans	-66.8	117.5	176.6	179.4	66.2	0	0	0	110	Y200 V251 R265 S266 I274 Y277	Y200-L269 HydrophobicContact CG-CD1 4.39Å; V251-L269 HydrophobicContact CG2-CD2 3.36Å; R265-L269 PolarHBondContact O-N 2.88Å; S266-L269 PolarHBondContact O-N 3.13Å; L269-I274 HydrophobicContact CB-CD1 4.37Å; L269-I274 HydrophobicContact CD2-CD1 4.08Å; L269-I274 HydrophobicContact CG-CD1 4.03Å; L269-I274 VanDerWaalsContact O-CD1 3.28Å; L269-I274 WeakPolarHBondContact O-CD1 3.43Å; L269-Y277 PolarHBondContact O-OH 3.19Å
270	N	97.6	Very high	96.7	Very high	76 Å²	76	18.2 Å²	18.2	41%	0.406	9%	0.09	S	C	.	.	S	Bend	trans	41.9	55.5	170.4	-61.2	-18.5	0	0	0	115.4	Q197 S268 Q272 H273 I274	Q197-N270 PolarHBondContact O-ND2 3.41Å; S268-N270 PolarHBondContact O-N 2.81Å; N270-Q272 PolarHBondContact O-N 3.33Å; N270-H273 HydrophobicContact CB-CB 4.26Å; N270-H273 PolarHBondContact O-N 2.86Å; N270-I274 HydrophobicContact CB-CD1 4.38Å; N270-I274 HydrophobicContact CB-CG1 4.36Å; N270-I274 PolarHBondContact O-N 3.08Å
271	P	97	Very high	96.9	Very high	16 Å²	16	17.9 Å²	17.9	10%	0.104	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-7.2	-171.2	30.4	-38	0	0	0	114.6	S268 Y277 G308 R309	S268-P271 WeakPolarHBondContact O-CD 3.19Å; P271-Y277 VanDerWaalsContact CA-OH 3.24Å; P271-Y277 WeakPolarHBondContact CA-OH 3.48Å; P271-G308 CarbonylContact O-C 2.94Å; P271-G308 VanDerWaalsContact O-CA 3.27Å; P271-G308 WeakPolarHBondContact O-CA 3.34Å; P271-R309 PolarHBondContact O-N 3.33Å
272	Q	97.9	Very high	97.1	Very high	97 Å²	97	17.1 Å²	17.1	45%	0.453	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.9	172.8	-57.6	-52	-44.4	0	0	113.4	N270 M307 K310	N270-Q272 PolarHBondContact O-N 3.33Å; Q272-M307 PolarHBondContact NE2-O 3.27Å; Q272-K310 VanDerWaalsContact OE1-CA 3.26Å
273	H	98.2	Very high	97.1	Very high	39 Å²	39	16.7 Å²	16.7	18%	0.181	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-43.6	-179.3	179.1	73.7	0	0	0	111.4	V175 D195 Q197 N270	V175-H273 WeakPolarHBondContact CB-O 3.42Å; V175-H273 WeakPolarHBondContact CG2-O 3.5Å; D195-H273 IonicContact OD1-NE2 3.88Å; D195-H273 IonicContact OD2-CD2 2.84Å; D195-H273 IonicContact OD2-CE1 3.17Å; D195-H273 PolarHBondContact OD2-CE1 2.62Å; D195-H273 IonicContact OD2-NE2 3.11Å; D195-H273 PolarHBondContact OD2-NE2 3.33Å; Q197-H273 WeakPolarHBondContact CB-NE2 3.35Å; N270-H273 HydrophobicContact CB-CB 4.26Å; N270-H273 PolarHBondContact O-N 2.86Å
274	I	98.8	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.			trans	-81.8	128.5	179.8	-56.5	-179.8	0	0	0	109.7	V175 T177 A198 L269 N270 I276 Y277	V175-I274 HydrophobicContact CG1-CG1 4.27Å; T177-I274 HydrophobicContact CG2-CD1 3.85Å; T177-I274 HydrophobicContact CG2-CG2 3.61Å; A198-I274 HydrophobicContact CB-CD1 4.19Å; A198-I274 HydrophobicContact CB-CG1 4.07Å; L269-I274 HydrophobicContact CB-CD1 4.37Å; L269-I274 HydrophobicContact CD2-CD1 4.08Å; L269-I274 HydrophobicContact CG-CD1 4.03Å; L269-I274 VanDerWaalsContact O-CD1 3.28Å; L269-I274 WeakPolarHBondContact O-CD1 3.43Å; N270-I274 HydrophobicContact CB-CD1 4.38Å; N270-I274 HydrophobicContact CB-CG1 4.36Å; N270-I274 PolarHBondContact O-N 3.08Å; I274-I276 WeakPolarHBondContact CG2-O 3.3Å; I274-Y277 HydrophobicContact CB-CE1 4.35Å; I274-Y277 HydrophobicContact CB-CE2 4.07Å; I274-Y277 HydrophobicContact CD1-CE1 4.08Å; I274-Y277 HydrophobicContact CG2-CD1 4.28Å; I274-Y277 HydrophobicContact CG2-CD2 4.03Å; I274-Y277 HydrophobicContact CG2-CE1 3.95Å; I274-Y277 HydrophobicContact CG2-CE2 3.65Å; I274-Y277 HydrophobicContact CG2-CG 4.32Å
275	D	98.8	Very high	96.8	Very high	29 Å²	29	18.2 Å²	18.2	16%	0.155	9%	0.09	C	C	.	.			trans	-88.7	-47.1	176.8	-66.1	-69.5	0	0	0	112	V174 V175 R309 V315 L409	V174-D275 HydrophobicContact CG1-CB 3.93Å; V175-D275 PolarHBondContact N-OD2 2.65Å; V175-D275 WeakPolarHBondContact O-CB 3.28Å; V175-D275 PolarHBondContact O-N 3.29Å; D275-R309 WeakPolarHBondContact O-CD 3.29Å; D275-R309 IonicContact OD1-CZ 3.7Å; D275-R309 IonicContact OD1-NE 2.73Å; D275-R309 PolarHBondContact OD1-NE 2.86Å; D275-R309 IonicContact OD1-NH2 3.58Å; D275-V315 PolarHBondContact O-N 3.41Å; D275-L409 HydrophobicContact CB-CD1 4.03Å
276	I	98.9	Very high	96.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.1	-170.8	-52.2	171.4	0	0	0	110.3	V174 V175 V176 T177 I274 V315 V317 A402 I405 A406 L409	V174-I276 HydrophobicContact CG1-CD1 4.15Å; V175-I276 PolarHBondContact O-N 2.85Å; V175-I276 VanDerWaalsContact O-N 3.12Å; V176-I276 CarbonylContact C-O 3.44Å; V176-I276 WeakPolarHBondContact CA-O 3.46Å; V176-I276 HydrophobicContact CG1-CB 4.2Å; V176-I276 HydrophobicContact CG1-CG2 4.34Å; V176-I276 HydrophobicContact CG2-CB 4.18Å; V176-I276 HydrophobicContact CG2-CD1 4.18Å; T177-I276 PolarHBondContact N-O 3.22Å; I274-I276 WeakPolarHBondContact CG2-O 3.3Å; I276-V315 CarbonylContact C-O 3.52Å; I276-V315 WeakPolarHBondContact CA-O 3.49Å; I276-V315 HydrophobicContact CG1-CB 4.24Å; I276-V317 HydrophobicContact CG2-CG2 3.85Å; I276-A402 WeakPolarHBondContact CD1-O 3.39Å; I276-A402 HydrophobicContact CG2-CB 3.84Å; I276-I405 HydrophobicContact CD1-CB 4.06Å; I276-I405 HydrophobicContact CD1-CG2 3.68Å; I276-I405 HydrophobicContact CG1-CG2 4.31Å; I276-A406 HydrophobicContact CD1-CB 3.83Å; I276-L409 HydrophobicContact CD1-CD1 3.87Å; I276-L409 HydrophobicContact CG1-CD1 3.8Å
277	Y	98.9	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.2	174.3	-62.1	-102.8	0	0	0	108.1	T177 L179 L269 P271 I274 V315 F316 V317	T177-Y277 HydrophobicContact CG2-CD1 3.31Å; T177-Y277 HydrophobicContact CG2-CE1 3.79Å; T177-Y277 HydrophobicContact CG2-CG 3.88Å; L179-Y277 HydrophobicContact CD1-CD1 4.15Å; L179-Y277 HydrophobicContact CD2-CD1 4.17Å; L179-Y277 HydrophobicContact CG-CD1 4.38Å; L269-Y277 PolarHBondContact O-OH 3.19Å; P271-Y277 VanDerWaalsContact CA-OH 3.24Å; P271-Y277 WeakPolarHBondContact CA-OH 3.48Å; I274-Y277 HydrophobicContact CB-CE1 4.35Å; I274-Y277 HydrophobicContact CB-CE2 4.07Å; I274-Y277 HydrophobicContact CD1-CE1 4.08Å; I274-Y277 HydrophobicContact CG2-CD1 4.28Å; I274-Y277 HydrophobicContact CG2-CD2 4.03Å; I274-Y277 HydrophobicContact CG2-CE1 3.95Å; I274-Y277 HydrophobicContact CG2-CE2 3.65Å; I274-Y277 HydrophobicContact CG2-CG 4.32Å; Y277-V315 PolarHBondContact N-O 2.78Å; Y277-F316 HydrophobicContact CD1-CE1 4.28Å; Y277-F316 HydrophobicContact CD2-CD1 4.04Å; Y277-F316 AromaticContact CD2-CE1 3.73Å; Y277-F316 HydrophobicContact CD2-CE1 3.73Å; Y277-F316 HydrophobicContact CD2-CZ 4.37Å; Y277-F316 HydrophobicContact CE2-CE1 4.27Å; Y277-F316 AromaticContact CG-CD1 3.9Å; Y277-F316 HydrophobicContact CG-CD1 3.9Å; Y277-F316 AromaticContact CG-CE1 3.74Å; Y277-F316 HydrophobicContact CG-CE1 3.74Å; Y277-V317 PolarHBondContact O-N 2.68Å
278	S	98.8	Very high	96.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127.3	176.4	-174	0	0	0	0	109.9	T177 L179	T177-S278 PolarHBondContact O-N 3.09Å; L179-S278 PolarHBondContact N-O 3.25Å
279	A	97.8	Very high	96.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.6	-179.9	0	0	0	0	0	111.9	L179 W281 V317 W318 A319	L179-A279 HydrophobicContact CB-CB 4.23Å; A279-W281 HydrophobicContact CB-CZ2 4.47Å; A279-V317 PolarHBondContact N-O 3.36Å; A279-W318 HydrophobicContact CB-CD2 3.73Å; A279-W318 HydrophobicContact CB-CE3 3.65Å; A279-W318 HydrophobicContact CB-CH2 3.35Å; A279-W318 HydrophobicContact CB-CZ2 3.44Å; A279-W318 VanDerWaalsContact CB-CZ2 3.44Å; A279-W318 HydrophobicContact CB-CZ3 3.46Å; A279-W318 VanDerWaalsContact CB-CZ3 3.46Å; A279-W318 WeakPolarHBondContact O-CA 3.43Å; A279-A319 PolarHBondContact O-N 2.7Å; A279-A319 VanDerWaalsContact O-N 3.12Å
280	S	93.6	Very high	96.3	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.021	12%	0.116	C	C	.	.			trans	-130.3	40.2	-175.7	-64.7	0	0	0	0	111	R110 S395	R110-S280 VanDerWaalsContact CB-O 3.29Å; R110-S280 WeakPolarHBondContact CB-O 3.44Å; R110-S280 WeakPolarHBondContact CG-O 3.44Å; R110-S280 PolarHBondContact N-O 3.39Å; R110-S280 VanDerWaalsContact N-O 3.12Å; S280-S395 WeakPolarHBondContact CB-OG 3.4Å; S280-S395 WeakPolarHBondContact OG-CA 3.48Å; S280-S395 PolarHBondContact OG-O 2.84Å
281	W	95.3	Very high	96.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.4	178.9	51.3	-94.9	0	0	0	110.9	R107 L179 M253 L254 E263 A279 W318 Y335	R107-W281 HydrophobicContact CG-CE3 4.42Å; L179-W281 PolarHBondContact O-NE1 3.04Å; M253-W281 HydrophobicContact CE-CH2 4.05Å; M253-W281 HydrophobicContact CE-CZ2 3.64Å; M253-W281 HydrophobicContact SD-CZ2 4.28Å; L254-W281 HydrophobicContact CD1-CB 3.92Å; L254-W281 HydrophobicContact CD1-CG 4.01Å; L254-W281 HydrophobicContact CD2-CB 4.21Å; L254-W281 HydrophobicContact CD2-CD2 4.5Å; L254-W281 HydrophobicContact CD2-CG 4.07Å; E263-W281 HydrophobicContact CB-CH2 4.41Å; E263-W281 HydrophobicContact CG-CH2 4.02Å; E263-W281 HydrophobicContact CG-CZ3 4.15Å; A279-W281 HydrophobicContact CB-CZ2 4.47Å; W281-W318 AromaticContact CD2-CZ2 3.95Å; W281-W318 HydrophobicContact CD2-CZ2 3.95Å; W281-W318 AromaticContact CE2-CZ2 3.7Å; W281-W318 AromaticContact CE3-CZ2 3.97Å; W281-W318 HydrophobicContact CE3-CZ2 3.97Å; W281-W318 AromaticContact CH2-CH2 3.74Å; W281-W318 HydrophobicContact CH2-CH2 3.74Å; W281-W318 AromaticContact CH2-CZ2 3.55Å; W281-W318 HydrophobicContact CH2-CZ2 3.55Å; W281-W318 AromaticContact CZ2-CH2 3.52Å; W281-W318 HydrophobicContact CZ2-CH2 3.52Å; W281-W318 AromaticContact CZ2-CZ2 3.51Å; W281-W318 HydrophobicContact CZ2-CZ2 3.51Å; W281-W318 HydrophobicContact CZ3-CH2 4.43Å; W281-W318 AromaticContact CZ3-CZ2 3.79Å; W281-W318 HydrophobicContact CZ3-CZ2 3.79Å; W281-W318 PolarHBondContact O-NE1 3.28Å; W281-Y335 HydrophobicContact CH2-CD1 4.24Å; W281-Y335 AromaticContact CH2-CE1 3.84Å; W281-Y335 HydrophobicContact CH2-CE1 3.84Å; W281-Y335 AromaticContact CZ3-CD1 3.89Å; W281-Y335 HydrophobicContact CZ3-CD1 3.89Å; W281-Y335 AromaticContact CZ3-CE1 3.47Å; W281-Y335 HydrophobicContact CZ3-CE1 3.47Å; W281-Y335 VanDerWaalsContact CZ3-CE1 3.47Å; W281-Y335 HydrophobicContact CZ3-CE2 4.35Å; W281-Y335 HydrophobicContact CZ3-CG 4.5Å; W281-Y335 AromaticContact CZ3-CZ 3.75Å
282	G	94.8	Very high	96.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	-163.6	179.9	0	0	0	0	0	111.2	R107 I108	R107-G282 WeakPolarHBondContact CD-O 3.45Å; I108-G282 PolarHBondContact N-O 3.21Å
283	P	94.4	Very high	96	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.032	10%	0.096	C	C	.	.	S	Bend	trans	-55.6	174.8	164.9	-21.1	34.9	0	0	0	112	I108 D285 T289 D291 D333	I108-P283 WeakPolarHBondContact CG1-O 3.09Å; P283-D285 PolarHBondContact O-N 3.21Å; P283-T289 HydrophobicContact CB-CG2 3.87Å; P283-D291 HydrophobicContact CB-CB 4.05Å; P283-D291 HydrophobicContact CG-CB 3.9Å; P283-D291 VanDerWaalsContact CG-O 3.32Å; P283-D291 WeakPolarHBondContact CG-O 3.28Å; P283-D333 WeakPolarHBondContact CD-OD1 3.37Å; P283-D333 HydrophobicContact CG-CB 4.15Å
284	D	91.3	Very high	95.7	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.064	10%	0.102	C	C	.	.			trans	-68.9	123.3	175.1	-54	-64.3	0	0	0	111.2	K27 R106 I108 D286	K27-D284 IonicContact NZ-OD2 2.59Å; K27-D284 PolarHBondContact NZ-OD2 3.04Å; R106-D284 IonicContact CZ-OD1 3.79Å; R106-D284 VanDerWaalsContact CZ-OD1 3.3Å; R106-D284 IonicContact CZ-OD2 3.48Å; R106-D284 IonicContact NE-OD1 3.66Å; R106-D284 PolarHBondContact NE-OD1 3.09Å; R106-D284 IonicContact NE-OD2 2.83Å; R106-D284 PolarHBondContact NE-OD2 3.41Å; R106-D284 IonicContact NH2-OD1 3.42Å; R106-D284 PolarHBondContact NH2-OD1 2.91Å; R106-D284 IonicContact NH2-OD2 3.14Å; R106-D284 PolarHBondContact NH2-OD2 3.31Å; I108-D284 WeakPolarHBondContact CG2-OD1 3.48Å; D284-D286 HydrophobicContact CB-CB 4.23Å; D284-D286 PolarHBondContact O-N 3.1Å
285	D	94.2	Very high	95.3	Very high	19 Å²	19	21.1 Å²	21.1	10%	0.102	12%	0.122	C	C	.	.			trans	-75	48.8	175.4	-61.3	-9.1	0	0	0	111.5	I108 R110 P283 N322 G323 S326 D328 E358	I108-D285 HydrophobicContact CD1-CB 3.89Å; I108-D285 VanDerWaalsContact CD1-N 3.28Å; R110-D285 IonicContact NE-OD1 3.57Å; R110-D285 IonicContact NE-OD2 3.92Å; R110-D285 PolarHBondContact NE-OD2 2.8Å; R110-D285 IonicContact NH2-OD1 3.54Å; P283-D285 PolarHBondContact O-N 3.21Å; D285-N322 PolarHBondContact OD2-N 3.24Å; D285-G323 WeakPolarHBondContact O-CA 3.41Å; D285-S326 PolarHBondContact O-OG 3.27Å; D285-D328 VanDerWaalsContact C-OD2 3.27Å; D285-D328 WeakPolarHBondContact CA-OD2 3.13Å; D285-E358 VanDerWaalsContact CG-OE1 3.29Å
286	D	94.1	Very high	95	Very high	28 Å²	28	19.8 Å²	19.8	15%	0.15	12%	0.115	C	C	.	.	S	Bend	trans	-102.7	5.6	-170	62.7	11.9	0	0	0	114.1	R106 D284 K288 T289 D328	R106-D286 IonicContact NH2-OD2 2.71Å; D284-D286 HydrophobicContact CB-CB 4.23Å; D284-D286 PolarHBondContact O-N 3.1Å; D286-K288 HydrophobicContact CB-CG 4.16Å; D286-K288 PolarHBondContact O-N 3.18Å; D286-K288 WeakPolarHBondContact OD1-CG 3.37Å; D286-K288 PolarHBondContact OD1-N 3.31Å; D286-K288 WeakPolarHBondContact OD2-CE 3.33Å; D286-K288 WeakPolarHBondContact OD2-CG 3.49Å; D286-K288 IonicContact OD2-NZ 3.45Å; D286-T289 VanDerWaalsContact CG-OG1 3.3Å; D286-T289 WeakPolarHBondContact OD1-CB 3.38Å; D286-T289 PolarHBondContact OD1-N 3.27Å; D286-T289 PolarHBondContact OD1-OG1 3.12Å; D286-T289 PolarHBondContact OD2-OG1 2.91Å; D286-D328 PolarHBondContact N-OD2 2.86Å
287	G	94.6	Very high	94.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	70.7	13.6	179.2	0	0	0	0	0	113.7	D328 D552	G287-D328 WeakPolarHBondContact CA-OD2 2.75Å; G287-D328 VanDerWaalsContact N-CG 3.3Å; G287-D328 PolarHBondContact N-OD2 2.85Å; G287-D552 PolarHBondContact O-N 2.93Å
288	K	95	Very high	94.7	Very high	94 Å²	94	25 Å²	25	41%	0.409	13%	0.134	S	C	.	.	S	Bend	trans	-139.4	-27.3	-177.4	60	178.1	176.1	-168.5	0	114.2	D286 R528 R549 D552	D286-K288 HydrophobicContact CB-CG 4.16Å; D286-K288 PolarHBondContact O-N 3.18Å; D286-K288 WeakPolarHBondContact OD1-CG 3.37Å; D286-K288 PolarHBondContact OD1-N 3.31Å; D286-K288 WeakPolarHBondContact OD2-CE 3.33Å; D286-K288 WeakPolarHBondContact OD2-CG 3.49Å; D286-K288 IonicContact OD2-NZ 3.45Å; K288-R528 PolarHBondContact O-NH2 3.42Å; K288-R549 VanDerWaalsContact C-NH2 3.33Å; K288-R549 PolarHBondContact O-NH2 3.43Å; K288-R549 VanDerWaalsContact O-NH2 3.07Å; K288-D552 HydrophobicContact CB-CB 4.23Å
289	T	95.1	Very high	94.5	Very high	24 Å²	24	27.9 Å²	27.9	15%	0.147	15%	0.148	C	C	.	.			trans	-72.5	144.3	-178	-58.9	0	0	0	0	110.8	P283 D286 D291 R549	P283-T289 HydrophobicContact CB-CG2 3.87Å; D286-T289 VanDerWaalsContact CG-OG1 3.3Å; D286-T289 WeakPolarHBondContact OD1-CB 3.38Å; D286-T289 PolarHBondContact OD1-N 3.27Å; D286-T289 PolarHBondContact OD1-OG1 3.12Å; D286-T289 PolarHBondContact OD2-OG1 2.91Å; T289-D291 HydrophobicContact CG2-CB 4.12Å; T289-R549 PolarHBondContact O-NH1 2.84Å; T289-R549 PolarHBondContact O-NH2 3.4Å
290	V	97.1	Very high	94.5	Very high	31 Å²	31	27.9 Å²	27.9	19%	0.188	15%	0.148	C	C	.	.			trans	-134.7	109.8	168.1	176.7	0	0	0	0	104.9	C332 R549 F558 W561	V290-C332 WeakPolarHBondContact CA-O 3.49Å; V290-C332 HydrophobicContact CG2-CB 3.98Å; V290-R549 VanDerWaalsContact CG2-NH2 3.35Å; V290-F558 HydrophobicContact CG1-CD1 4.42Å; V290-F558 HydrophobicContact CG1-CE1 4.14Å; V290-F558 HydrophobicContact CG2-CE1 3.97Å; V290-W561 HydrophobicContact CG1-CD2 3.74Å; V290-W561 HydrophobicContact CG1-CE3 3.65Å; V290-W561 HydrophobicContact CG1-CH2 3.69Å; V290-W561 HydrophobicContact CG1-CZ2 3.78Å; V290-W561 HydrophobicContact CG1-CZ3 3.62Å
291	D	95.9	Very high	94.7	Very high	61 Å²	61	27.8 Å²	27.8	33%	0.326	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-157.5	163.4	-176.1	-170.1	26.3	0	0	0	109.8	R107 P283 T289 C332 G334 W561	R107-D291 IonicContact CZ-OD2 3.86Å; R107-D291 IonicContact NH1-OD2 2.72Å; R107-D291 PolarHBondContact NH1-OD2 3.45Å; R107-D291 IonicContact NH2-OD2 2.73Å; P283-D291 HydrophobicContact CB-CB 4.05Å; P283-D291 HydrophobicContact CG-CB 3.9Å; P283-D291 VanDerWaalsContact CG-O 3.32Å; P283-D291 WeakPolarHBondContact CG-O 3.28Å; T289-D291 HydrophobicContact CG2-CB 4.12Å; D291-C332 PolarHBondContact N-O 2.88Å; D291-G334 PolarHBondContact O-N 3.37Å; D291-W561 WeakPolarHBondContact O-CH2 3.17Å
292	G	94.4	Very high	94.7	Very high	9 Å²	9	30.6 Å²	30.6	9%	0.093	16%	0.16	C	C	.	.			trans	-160	-168.3	-177.1	0	0	0	0	0	113	A294 Y335	G292-A294 PolarHBondContact O-N 3.49Å; G292-Y335 VanDerWaalsContact C-CE2 3.49Å; G292-Y335 PolarHBondContact O-OH 2.84Å
293	P	95.1	Very high	94.8	Very high	20 Å²	20	32.2 Å²	32.2	13%	0.13	17%	0.169	C	C	.	.			trans	-61	132.3	172.1	25.5	-32.8	0	0	0	109.6	A297 F301 G334 Y335	P293-A297 HydrophobicContact CB-CB 3.75Å; P293-F301 HydrophobicContact CB-CD2 4.41Å; P293-F301 HydrophobicContact CB-CE2 4.21Å; P293-F301 HydrophobicContact CG-CE2 4.38Å; P293-G334 VanDerWaalsContact CD-C 3.43Å; P293-G334 WeakPolarHBondContact CD-O 3.44Å; P293-Y335 WeakPolarHBondContact CA-OH 3.32Å; P293-Y335 HydrophobicContact CB-CD1 4.44Å; P293-Y335 HydrophobicContact CB-CE1 3.89Å; P293-Y335 HydrophobicContact CG-CE1 4.49Å
294	A	92	Very high	95	Very high	37 Å²	37	32 Å²	32	31%	0.306	17%	0.168	S	C	.	.			trans	-85.4	-166.1	169.7	0	0	0	0	0	109.4	K105 D260 G292 L296 A297 R298	K105-A294 VanDerWaalsContact NZ-CB 3.32Å; D260-A294 HydrophobicContact CB-CB 4.32Å; D260-A294 WeakPolarHBondContact OD1-CA 3.5Å; D260-A294 VanDerWaalsContact OD1-CB 3.25Å; D260-A294 WeakPolarHBondContact OD1-CB 3.34Å; D260-A294 PolarHBondContact OD1-N 3.04Å; G292-A294 PolarHBondContact O-N 3.49Å; A294-L296 PolarHBondContact O-N 3.33Å; A294-A297 PolarHBondContact O-N 3.03Å; A294-R298 WeakPolarHBondContact O-CB 3.32Å; A294-R298 PolarHBondContact O-N 3.02Å
295	T	91.8	Very high	95.2	Very high	69 Å²	69	32 Å²	32	42%	0.423	17%	0.168	S	C	.	.	H	α-helix	trans	-62.7	-44.1	-162.2	47.5	0	0	0	0	113	D260 Q299	D260-T295 PolarHBondContact OD2-N 2.74Å; T295-Q299 WeakPolarHBondContact O-CG 3.44Å; T295-Q299 PolarHBondContact O-N 3.44Å
296	L	91.9	Very high	95.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-43.3	-178.8	-57.1	173.6	0	0	0	111	A36 I61 L64 W98 D260 M261 A264 A294 R298 Q299 A300	A36-L296 HydrophobicContact CB-CD1 3.68Å; I61-L296 HydrophobicContact CD1-CD1 4.46Å; L64-L296 HydrophobicContact CD1-CB 4.08Å; L64-L296 HydrophobicContact CD1-CD2 3.89Å; W98-L296 HydrophobicContact CH2-CD1 4.44Å; W98-L296 HydrophobicContact CH2-CD2 4.15Å; W98-L296 HydrophobicContact CH2-CG 4.38Å; W98-L296 HydrophobicContact CZ3-CD2 4.3Å; D260-L296 VanDerWaalsContact OD2-CB 3.26Å; D260-L296 WeakPolarHBondContact OD2-CB 3.21Å; D260-L296 WeakPolarHBondContact OD2-CG 3.44Å; D260-L296 PolarHBondContact OD2-N 3.15Å; M261-L296 HydrophobicContact CB-CD1 4.25Å; A264-L296 HydrophobicContact CB-CB 3.58Å; A294-L296 PolarHBondContact O-N 3.33Å; L296-R298 VanDerWaalsContact C-N 3.34Å; L296-R298 PolarHBondContact O-N 2.59Å; L296-Q299 PolarHBondContact O-N 3.34Å; L296-A300 PolarHBondContact O-N 3.11Å
297	A	95.3	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-39.8	177.8	0	0	0	0	0	111.7	D260 E263 L267 P293 A294 A300 F301	D260-A297 WeakPolarHBondContact OD1-CB 3.42Å; D260-A297 PolarHBondContact OD1-N 2.8Å; E263-A297 HydrophobicContact CB-CB 3.98Å; L267-A297 HydrophobicContact CD1-CB 4.14Å; P293-A297 HydrophobicContact CB-CB 3.75Å; A294-A297 PolarHBondContact O-N 3.03Å; A297-A300 PolarHBondContact O-N 3.19Å; A297-F301 VanDerWaalsContact O-CD2 3.3Å; A297-F301 WeakPolarHBondContact O-CD2 3.34Å; A297-F301 PolarHBondContact O-N 2.71Å
298	R	95.2	Very high	95.6	Very high	109 Å²	109	43 Å²	43	41%	0.411	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-42.5	174.1	-179.5	175.9	-98.7	158.8	-10.7	111.7	A294 L296 A300 F301 E302 E562	A294-R298 WeakPolarHBondContact O-CB 3.32Å; A294-R298 PolarHBondContact O-N 3.02Å; L296-R298 VanDerWaalsContact C-N 3.34Å; L296-R298 PolarHBondContact O-N 2.59Å; R298-A300 VanDerWaalsContact C-N 3.33Å; R298-F301 PolarHBondContact O-N 2.82Å; R298-E302 WeakPolarHBondContact O-CG 3.23Å; R298-E302 PolarHBondContact O-N 3.41Å; R298-E562 IonicContact CZ-OE2 2.77Å; R298-E562 IonicContact NH2-OE2 3.3Å; R298-E562 PolarHBondContact NH2-OE2 2.75Å
299	Q	94.9	Very high	95.7	Very high	63 Å²	63	38.8 Å²	38.8	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-63.4	-38.7	174.3	-74.7	176.5	11.5	0	0	112.2	L64 T295 L296 F301 E302 N303	L64-Q299 HydrophobicContact CD2-CB 3.95Å; T295-Q299 WeakPolarHBondContact O-CG 3.44Å; T295-Q299 PolarHBondContact O-N 3.44Å; L296-Q299 PolarHBondContact O-N 3.34Å; Q299-F301 PolarHBondContact O-N 2.77Å; Q299-E302 PolarHBondContact O-N 2.94Å; Q299-N303 WeakPolarHBondContact O-CB 3.35Å; Q299-N303 PolarHBondContact O-N 3.07Å
300	A	97.6	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-40.4	176.1	0	0	0	0	0	111.8	A264 L267 L296 A297 R298 G304	A264-A300 HydrophobicContact CB-CB 4.2Å; L267-A300 HydrophobicContact CB-CB 3.83Å; L267-A300 HydrophobicContact CD1-CB 4.41Å; L296-A300 PolarHBondContact O-N 3.11Å; A297-A300 PolarHBondContact O-N 3.19Å; R298-A300 VanDerWaalsContact C-N 3.33Å; A300-G304 PolarHBondContact O-N 3.43Å
301	F	97.8	Very high	95.7	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-47	171.2	-78.4	-59.4	0	0	0	112.3	L267 P293 A297 R298 Q299 N303 G304 I305 F316 W318 Y335 Y340 T341	L267-F301 HydrophobicContact CD1-CD2 4.09Å; L267-F301 HydrophobicContact CD1-CE1 4.21Å; L267-F301 HydrophobicContact CD1-CE2 3.75Å; L267-F301 HydrophobicContact CD1-CG 4.46Å; L267-F301 HydrophobicContact CD1-CZ 3.82Å; L267-F301 HydrophobicContact CD2-CD1 4.25Å; L267-F301 HydrophobicContact CD2-CE1 3.57Å; L267-F301 HydrophobicContact CD2-CE2 4.49Å; L267-F301 HydrophobicContact CD2-CZ 3.71Å; L267-F301 HydrophobicContact CG-CZ 4.44Å; P293-F301 HydrophobicContact CB-CD2 4.41Å; P293-F301 HydrophobicContact CB-CE2 4.21Å; P293-F301 HydrophobicContact CG-CE2 4.38Å; A297-F301 VanDerWaalsContact O-CD2 3.3Å; A297-F301 WeakPolarHBondContact O-CD2 3.34Å; A297-F301 PolarHBondContact O-N 2.71Å; R298-F301 PolarHBondContact O-N 2.82Å; Q299-F301 PolarHBondContact O-N 2.77Å; F301-N303 PolarHBondContact O-N 3.09Å; F301-G304 PolarHBondContact O-N 2.93Å; F301-I305 VanDerWaalsContact O-CG1 3.29Å; F301-I305 WeakPolarHBondContact O-CG1 3.36Å; F301-I305 PolarHBondContact O-N 3.04Å; F301-F316 HydrophobicContact CD1-CD1 4.09Å; F301-F316 AromaticContact CD1-CD2 3.74Å; F301-F316 HydrophobicContact CD1-CD2 3.74Å; F301-F316 HydrophobicContact CD1-CE1 4.22Å; F301-F316 AromaticContact CD1-CE2 3.85Å; F301-F316 HydrophobicContact CD1-CE2 3.85Å; F301-F316 AromaticContact CD1-CG 3.87Å; F301-F316 HydrophobicContact CD1-CG 3.87Å; F301-F316 HydrophobicContact CD1-CZ 4.09Å; F301-F316 HydrophobicContact CE1-CB 4.09Å; F301-F316 AromaticContact CE1-CD1 3.81Å; F301-F316 HydrophobicContact CE1-CD1 3.81Å; F301-F316 HydrophobicContact CE1-CD2 4.1Å; F301-F316 HydrophobicContact CE1-CE1 4.27Å; F301-F316 AromaticContact CE1-CG 3.73Å; F301-F316 HydrophobicContact CE1-CG 3.73Å; F301-W318 HydrophobicContact CE1-CH2 4.45Å; F301-W318 AromaticContact CE1-CZ3 3.91Å; F301-W318 HydrophobicContact CE1-CZ3 3.91Å; F301-W318 HydrophobicContact CZ-CE3 4.41Å; F301-W318 AromaticContact CZ-CH2 3.91Å; F301-W318 HydrophobicContact CZ-CH2 3.91Å; F301-W318 AromaticContact CZ-CZ3 3.78Å; F301-W318 HydrophobicContact CZ-CZ3 3.78Å; F301-Y335 HydrophobicContact CE2-CD1 4.03Å; F301-Y335 HydrophobicContact CE2-CE1 4.36Å; F301-Y335 HydrophobicContact CZ-CD1 4.17Å; F301-Y340 HydrophobicContact CB-CD2 3.7Å; F301-Y340 HydrophobicContact CB-CE2 4.46Å; F301-Y340 HydrophobicContact CB-CG 4.3Å; F301-Y340 HydrophobicContact CG-CD2 4.44Å; F301-T341 HydrophobicContact CE1-CG2 3.8Å; F301-T341 HydrophobicContact CZ-CG2 3.94Å
302	E	96.1	Very high	95.7	Very high	59 Å²	59	48 Å²	48	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-40.9	179.8	-74	176.9	-171.4	0	0	112.6	R298 Q299 R306 Y340	R298-E302 WeakPolarHBondContact O-CG 3.23Å; R298-E302 PolarHBondContact O-N 3.41Å; Q299-E302 PolarHBondContact O-N 2.94Å; E302-R306 VanDerWaalsContact O-CB 3.29Å; E302-R306 WeakPolarHBondContact O-CB 3.42Å; E302-R306 WeakPolarHBondContact O-CD 3.13Å; E302-R306 WeakPolarHBondContact O-CG 3.1Å; E302-R306 PolarHBondContact O-N 2.85Å; E302-Y340 HydrophobicContact CG-CE2 3.75Å
303	N	97.4	Very high	95.9	Very high	35 Å²	35	47.6 Å²	47.6	19%	0.187	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-44.3	173.3	-76.3	-4.9	0	0	0	111	D63 L64 Q299 F301 I305 R306 M307	D63-N303 PolarHBondContact OD1-ND2 3.09Å; L64-N303 WeakPolarHBondContact CD2-ND2 3.32Å; Q299-N303 WeakPolarHBondContact O-CB 3.35Å; Q299-N303 PolarHBondContact O-N 3.07Å; F301-N303 PolarHBondContact O-N 3.09Å; N303-I305 PolarHBondContact O-N 2.9Å; N303-R306 PolarHBondContact O-N 3.11Å; N303-M307 WeakPolarHBondContact O-CA 3.34Å; N303-M307 WeakPolarHBondContact O-CB 3.1Å; N303-M307 PolarHBondContact O-N 2.95Å
304	G	97.6	Very high	96.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-52.7	177.9	0	0	0	0	0	112.2	A300 F301 R306 G308 G313 S314	A300-G304 PolarHBondContact O-N 3.43Å; F301-G304 PolarHBondContact O-N 2.93Å; G304-R306 VanDerWaalsContact C-N 3.33Å; G304-R306 PolarHBondContact O-N 2.96Å; G304-G308 VanDerWaalsContact O-CA 3.27Å; G304-G308 WeakPolarHBondContact O-CA 3.1Å; G304-G308 PolarHBondContact O-N 2.81Å; G304-G313 CarbonylContact O-C 3.6Å; G304-G313 WeakPolarHBondContact O-CA 3.33Å; G304-S314 PolarHBondContact O-N 3.41Å; G304-S314 PolarHBondContact O-OG 2.82Å
305	I	96.9	Very high	96.4	Very high	12 Å²	12	45 Å²	45	6%	0.062	21%	0.212	C	C	.	.	H	α-helix	trans	-72.4	-21.7	-178.7	63.3	98.7	0	0	0	114	F301 N303 G313 F316 Y340 W417	F301-I305 VanDerWaalsContact O-CG1 3.29Å; F301-I305 WeakPolarHBondContact O-CG1 3.36Å; F301-I305 PolarHBondContact O-N 3.04Å; N303-I305 PolarHBondContact O-N 2.9Å; I305-G313 WeakPolarHBondContact O-CA 3.29Å; I305-F316 HydrophobicContact CG2-CD2 4.18Å; I305-F316 HydrophobicContact CG2-CE2 4.04Å; I305-Y340 HydrophobicContact CD1-CD1 4.13Å; I305-Y340 HydrophobicContact CD1-CE1 3.96Å; I305-Y340 HydrophobicContact CG1-CD1 3.82Å; I305-Y340 HydrophobicContact CG1-CE1 4.06Å; I305-Y340 HydrophobicContact CG1-CG 4.4Å; I305-Y340 HydrophobicContact CG2-CD1 4.19Å; I305-Y340 HydrophobicContact CG2-CG 4.33Å; I305-W417 HydrophobicContact CB-CD2 4.12Å; I305-W417 HydrophobicContact CB-CG 4.14Å; I305-W417 HydrophobicContact CB-CZ2 4.49Å; I305-W417 HydrophobicContact CD1-CZ2 4.03Å; I305-W417 HydrophobicContact CG2-CD2 4.09Å; I305-W417 HydrophobicContact CG2-CE3 4.46Å; I305-W417 HydrophobicContact CG2-CG 4.22Å; I305-W417 PolarHBondContact O-NE1 2.03Å
306	R	95.7	Very high	96.7	Very high	168 Å²	168	41.7 Å²	41.7	63%	0.634	19%	0.192	S	C	*	.	H	α-helix	trans	-92.2	-39.2	179.2	-71.2	178.6	-179.2	-157.3	1.3	113.8	E302 N303 G304	E302-R306 VanDerWaalsContact O-CB 3.29Å; E302-R306 WeakPolarHBondContact O-CB 3.42Å; E302-R306 WeakPolarHBondContact O-CD 3.13Å; E302-R306 WeakPolarHBondContact O-CG 3.1Å; E302-R306 PolarHBondContact O-N 2.85Å; N303-R306 PolarHBondContact O-N 3.11Å; G304-R306 VanDerWaalsContact C-N 3.33Å; G304-R306 PolarHBondContact O-N 2.96Å
307	M	96.5	Very high	97.1	Very high	108 Å²	108	41.7 Å²	41.7	53%	0.532	19%	0.192	S	C	.	.	H	α-helix	trans	-114.2	-28.6	-168.3	-53.9	-172.6	-169	0	0	112.2	Q272 N303 G311	Q272-M307 PolarHBondContact NE2-O 3.27Å; N303-M307 WeakPolarHBondContact O-CA 3.34Å; N303-M307 WeakPolarHBondContact O-CB 3.1Å; N303-M307 PolarHBondContact O-N 2.95Å; M307-G311 PolarHBondContact O-N 2.81Å; M307-G311 VanDerWaalsContact O-N 3.09Å
308	G	97.3	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	155.6	-179.8	0	0	0	0	0	112.9	P271 G304 K310 G311 R312 G313	P271-G308 CarbonylContact O-C 2.94Å; P271-G308 VanDerWaalsContact O-CA 3.27Å; P271-G308 WeakPolarHBondContact O-CA 3.34Å; G304-G308 VanDerWaalsContact O-CA 3.27Å; G304-G308 WeakPolarHBondContact O-CA 3.1Å; G304-G308 PolarHBondContact O-N 2.81Å; G308-K310 VanDerWaalsContact C-N 3.26Å; G308-K310 PolarHBondContact O-N 2.91Å; G308-G311 PolarHBondContact O-N 3.28Å; G308-R312 PolarHBondContact O-N 2.63Å; G308-G313 WeakPolarHBondContact O-CA 3.45Å; G308-G313 PolarHBondContact O-N 3.33Å
309	R	97.4	Very high	97.4	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	48.9	46.4	-178.4	-60.8	176	67.8	-130.4	-5.7	112.6	P271 D275 G311 R312 G313 P413 L415	P271-R309 PolarHBondContact O-N 3.33Å; D275-R309 WeakPolarHBondContact O-CD 3.29Å; D275-R309 IonicContact OD1-CZ 3.7Å; D275-R309 IonicContact OD1-NE 2.73Å; D275-R309 PolarHBondContact OD1-NE 2.86Å; D275-R309 IonicContact OD1-NH2 3.58Å; R309-G311 VanDerWaalsContact C-N 3.3Å; R309-G311 PolarHBondContact O-N 3.02Å; R309-R312 HydrophobicContact CB-CB 4.04Å; R309-R312 WeakPolarHBondContact O-CB 3.49Å; R309-R312 WeakPolarHBondContact O-CG 3.49Å; R309-R312 PolarHBondContact O-N 2.9Å; R309-G313 WeakPolarHBondContact CD-O 3.48Å; R309-P413 PolarHBondContact NH2-O 3.38Å; R309-L415 PolarHBondContact NH1-O 3.14Å
310	K	96.3	Very high	97.4	Very high	168 Å²	168	33.5 Å²	33.5	73%	0.73	16%	0.158	S	C	*	.	H	α-helix	trans	57.1	40.3	-179.2	-54.1	171.8	-175.4	173.3	0	112.8	Q272 G308	Q272-K310 VanDerWaalsContact OE1-CA 3.26Å; G308-K310 VanDerWaalsContact C-N 3.26Å; G308-K310 PolarHBondContact O-N 2.91Å
311	G	95.7	Very high	97.2	Very high	48 Å²	48	33.5 Å²	33.5	50%	0.495	16%	0.158	S	C	.	.	H	α-helix	trans	87.4	1.4	-179.8	0	0	0	0	0	115.5	M307 G308 R309 G313	M307-G311 PolarHBondContact O-N 2.81Å; M307-G311 VanDerWaalsContact O-N 3.09Å; G308-G311 PolarHBondContact O-N 3.28Å; R309-G311 VanDerWaalsContact C-N 3.3Å; R309-G311 PolarHBondContact O-N 3.02Å; G311-G313 VanDerWaalsContact C-N 3.29Å
312	R	97.4	Very high	97.1	Very high	93 Å²	93	34.7 Å²	34.7	35%	0.351	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.6	172.3	-62.2	176.7	-170.5	131.7	-0.4	112.5	G308 R309 P413 T416 W417	G308-R312 PolarHBondContact O-N 2.63Å; R309-R312 HydrophobicContact CB-CB 4.04Å; R309-R312 WeakPolarHBondContact O-CB 3.49Å; R309-R312 WeakPolarHBondContact O-CG 3.49Å; R309-R312 PolarHBondContact O-N 2.9Å; R312-P413 VanDerWaalsContact CD-O 3.3Å; R312-P413 WeakPolarHBondContact CD-O 3.35Å; R312-P413 PolarHBondContact NE-O 3.27Å; R312-P413 PolarHBondContact NH1-O 3.1Å; R312-T416 CarbonylContact O-C 3.59Å; R312-T416 WeakPolarHBondContact O-CA 3.13Å; R312-T416 VanDerWaalsContact O-CB 3.28Å; R312-T416 WeakPolarHBondContact O-CB 3.11Å; R312-W417 PolarHBondContact O-N 2.76Å
313	G	98.3	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.			trans	88	131.3	-178.2	0	0	0	0	0	112.6	G304 I305 G308 R309 G311	G304-G313 CarbonylContact O-C 3.6Å; G304-G313 WeakPolarHBondContact O-CA 3.33Å; I305-G313 WeakPolarHBondContact O-CA 3.29Å; G308-G313 WeakPolarHBondContact O-CA 3.45Å; G308-G313 PolarHBondContact O-N 3.33Å; R309-G313 WeakPolarHBondContact CD-O 3.48Å; G311-G313 VanDerWaalsContact C-N 3.29Å
314	S	98.7	Very high	96.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.			trans	-56.9	142.5	170.4	-60	0	0	0	0	111	G304	G304-S314 PolarHBondContact O-N 3.41Å; G304-S314 PolarHBondContact O-OG 2.82Å
315	V	98.9	Very high	96.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.2	176.6	-175.9	0	0	0	0	109.3	D275 I276 Y277 V317 I342 I405 L409 V420	D275-V315 PolarHBondContact O-N 3.41Å; I276-V315 CarbonylContact C-O 3.52Å; I276-V315 WeakPolarHBondContact CA-O 3.49Å; I276-V315 HydrophobicContact CG1-CB 4.24Å; Y277-V315 PolarHBondContact N-O 2.78Å; V315-V317 HydrophobicContact CG1-CG2 4.2Å; V315-I342 HydrophobicContact CG1-CD1 3.66Å; V315-I405 HydrophobicContact CG1-CD1 4.44Å; V315-I405 HydrophobicContact CG1-CG2 4.22Å; V315-L409 HydrophobicContact CG2-CD1 4.48Å; V315-V420 HydrophobicContact CG1-CG1 4.43Å; V315-V420 HydrophobicContact CG2-CG2 4.3Å
316	F	98.9	Very high	96.4	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.3	177.4	-59.3	-79.8	0	0	0	109.9	L267 Y277 F301 I305 W318 T341 I342	L267-F316 HydrophobicContact CD2-CD1 3.98Å; L267-F316 HydrophobicContact CD2-CE1 3.86Å; Y277-F316 HydrophobicContact CD1-CE1 4.28Å; Y277-F316 HydrophobicContact CD2-CD1 4.04Å; Y277-F316 AromaticContact CD2-CE1 3.73Å; Y277-F316 HydrophobicContact CD2-CE1 3.73Å; Y277-F316 HydrophobicContact CD2-CZ 4.37Å; Y277-F316 HydrophobicContact CE2-CE1 4.27Å; Y277-F316 AromaticContact CG-CD1 3.9Å; Y277-F316 HydrophobicContact CG-CD1 3.9Å; Y277-F316 AromaticContact CG-CE1 3.74Å; Y277-F316 HydrophobicContact CG-CE1 3.74Å; F301-F316 HydrophobicContact CD1-CD1 4.09Å; F301-F316 AromaticContact CD1-CD2 3.74Å; F301-F316 HydrophobicContact CD1-CD2 3.74Å; F301-F316 HydrophobicContact CD1-CE1 4.22Å; F301-F316 AromaticContact CD1-CE2 3.85Å; F301-F316 HydrophobicContact CD1-CE2 3.85Å; F301-F316 AromaticContact CD1-CG 3.87Å; F301-F316 HydrophobicContact CD1-CG 3.87Å; F301-F316 HydrophobicContact CD1-CZ 4.09Å; F301-F316 HydrophobicContact CE1-CB 4.09Å; F301-F316 AromaticContact CE1-CD1 3.81Å; F301-F316 HydrophobicContact CE1-CD1 3.81Å; F301-F316 HydrophobicContact CE1-CD2 4.1Å; F301-F316 HydrophobicContact CE1-CE1 4.27Å; F301-F316 AromaticContact CE1-CG 3.73Å; F301-F316 HydrophobicContact CE1-CG 3.73Å; I305-F316 HydrophobicContact CG2-CD2 4.18Å; I305-F316 HydrophobicContact CG2-CE2 4.04Å; F316-W318 HydrophobicContact CB-CE3 4.43Å; F316-T341 HydrophobicContact CB-CG2 4.13Å; F316-T341 CarbonylContact O-C 3.27Å; F316-T341 WeakPolarHBondContact O-CA 3.43Å; F316-I342 PolarHBondContact O-N 3.34Å
317	V	98.9	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.7	179	-174.7	0	0	0	0	108.6	I276 Y277 A279 V315 I344 A398 A401 A402 I405	I276-V317 HydrophobicContact CG2-CG2 3.85Å; Y277-V317 PolarHBondContact O-N 2.68Å; A279-V317 PolarHBondContact N-O 3.36Å; V315-V317 HydrophobicContact CG1-CG2 4.2Å; V317-I344 HydrophobicContact CG1-CD1 4.24Å; V317-I344 HydrophobicContact CG1-CG1 3.57Å; V317-A398 HydrophobicContact CG1-CB 4.23Å; V317-A398 WeakPolarHBondContact CG1-O 3.31Å; V317-A401 HydrophobicContact CG1-CB 4.04Å; V317-A402 HydrophobicContact CB-CB 4.26Å; V317-A402 HydrophobicContact CG1-CB 4.39Å; V317-A402 HydrophobicContact CG2-CB 4.11Å; V317-I405 HydrophobicContact CG2-CD1 3.68Å
318	W	98.6	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.2	-170.1	-130.4	-88.6	0	0	0	111.4	L267 A279 W281 F301 F316 Y335 T341 I342 S343 I344	L267-W318 HydrophobicContact CD2-CH2 3.84Å; L267-W318 HydrophobicContact CD2-CZ3 3.93Å; A279-W318 HydrophobicContact CB-CD2 3.73Å; A279-W318 HydrophobicContact CB-CE3 3.65Å; A279-W318 HydrophobicContact CB-CH2 3.35Å; A279-W318 HydrophobicContact CB-CZ2 3.44Å; A279-W318 VanDerWaalsContact CB-CZ2 3.44Å; A279-W318 HydrophobicContact CB-CZ3 3.46Å; A279-W318 VanDerWaalsContact CB-CZ3 3.46Å; A279-W318 WeakPolarHBondContact O-CA 3.43Å; W281-W318 AromaticContact CD2-CZ2 3.95Å; W281-W318 HydrophobicContact CD2-CZ2 3.95Å; W281-W318 AromaticContact CE2-CZ2 3.7Å; W281-W318 AromaticContact CE3-CZ2 3.97Å; W281-W318 HydrophobicContact CE3-CZ2 3.97Å; W281-W318 AromaticContact CH2-CH2 3.74Å; W281-W318 HydrophobicContact CH2-CH2 3.74Å; W281-W318 AromaticContact CH2-CZ2 3.55Å; W281-W318 HydrophobicContact CH2-CZ2 3.55Å; W281-W318 AromaticContact CZ2-CH2 3.52Å; W281-W318 HydrophobicContact CZ2-CH2 3.52Å; W281-W318 AromaticContact CZ2-CZ2 3.51Å; W281-W318 HydrophobicContact CZ2-CZ2 3.51Å; W281-W318 HydrophobicContact CZ3-CH2 4.43Å; W281-W318 AromaticContact CZ3-CZ2 3.79Å; W281-W318 HydrophobicContact CZ3-CZ2 3.79Å; W281-W318 PolarHBondContact O-NE1 3.28Å; F301-W318 HydrophobicContact CE1-CH2 4.45Å; F301-W318 AromaticContact CE1-CZ3 3.91Å; F301-W318 HydrophobicContact CE1-CZ3 3.91Å; F301-W318 HydrophobicContact CZ-CE3 4.41Å; F301-W318 AromaticContact CZ-CH2 3.91Å; F301-W318 HydrophobicContact CZ-CH2 3.91Å; F301-W318 AromaticContact CZ-CZ3 3.78Å; F301-W318 HydrophobicContact CZ-CZ3 3.78Å; F316-W318 HydrophobicContact CB-CE3 4.43Å; W318-Y335 HydrophobicContact CH2-CD1 4.31Å; W318-Y335 AromaticContact CZ2-CD1 3.72Å; W318-Y335 HydrophobicContact CZ2-CD1 3.72Å; W318-Y335 HydrophobicContact CZ2-CG 4.2Å; W318-T341 HydrophobicContact CB-CG2 4.43Å; W318-T341 HydrophobicContact CD2-CG2 4.15Å; W318-T341 HydrophobicContact CE3-CG2 3.75Å; W318-T341 HydrophobicContact CG-CG2 4.45Å; W318-T341 HydrophobicContact CZ3-CG2 4.43Å; W318-I342 PolarHBondContact N-O 2.98Å; W318-S343 CarbonylContact O-C 3.56Å; W318-S343 WeakPolarHBondContact O-CA 3.38Å; W318-I344 PolarHBondContact O-N 2.85Å
319	A	98.1	Very high	96.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	149.8	169.2	0	0	0	0	0	110.6	R110 A279 T394 A398	R110-A319 VanDerWaalsContact NH1-C 3.28Å; R110-A319 PolarHBondContact NH1-O 3.43Å; A279-A319 PolarHBondContact O-N 2.7Å; A279-A319 VanDerWaalsContact O-N 3.12Å; A319-T394 WeakPolarHBondContact CB-O 3.33Å; A319-A398 HydrophobicContact CB-CB 4.05Å
320	S	95.9	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.			trans	-79.4	-33.7	-178.2	65.8	0	0	0	0	114	C330 I344	S320-C330 WeakPolarHBondContact O-CB 3.47Å; S320-I344 WeakPolarHBondContact CB-O 3.48Å; S320-I344 PolarHBondContact N-O 2.92Å; S320-I344 PolarHBondContact OG-O 3.11Å
321	G	93.9	Very high	96.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.			trans	140.6	155.1	-177.7	0	0	0	0	0	114.3	E358 T394	G321-E358 VanDerWaalsContact C-OE1 3.3Å; G321-E358 VanDerWaalsContact CA-OE1 3.23Å; G321-E358 WeakPolarHBondContact CA-OE1 3.33Å; G321-T394 PolarHBondContact N-OG1 2.98Å; G321-T394 WeakPolarHBondContact O-CG2 3.36Å; G321-T394 PolarHBondContact O-OG1 3.32Å
322	N	95.7	Very high	96.4	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.139	12%	0.115	C	C	.	.	S	Bend	trans	-115.4	16.7	179.4	-72.9	-16.3	0	0	0	113.8	R110 D285 G324 Y356 E358 T394	R110-N322 WeakPolarHBondContact CA-ND2 3.12Å; R110-N322 VanDerWaalsContact CB-ND2 3.35Å; R110-N322 WeakPolarHBondContact CB-ND2 3.28Å; R110-N322 PolarHBondContact O-ND2 2.8Å; D285-N322 PolarHBondContact OD2-N 3.24Å; N322-G324 VanDerWaalsContact C-N 3.33Å; N322-G324 PolarHBondContact O-N 3.1Å; N322-Y356 CarbonylContact C-O 3.35Å; N322-Y356 WeakPolarHBondContact CA-O 3.46Å; N322-Y356 WeakPolarHBondContact OD1-CD2 2.95Å; N322-E358 PolarHBondContact N-OE1 2.84Å; N322-E358 VanDerWaalsContact N-OE1 3.15Å; N322-T394 PolarHBondContact OD1-N 3.24Å; N322-T394 PolarHBondContact OD1-OG1 2.8Å
323	G	95.2	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.			trans	-84.5	10.2	-175.5	0	0	0	0	0	115.7	D285 R325 S326 R327 D328 Y356 E358	D285-G323 WeakPolarHBondContact O-CA 3.41Å; G323-R325 VanDerWaalsContact C-N 3.3Å; G323-R325 PolarHBondContact O-N 3.05Å; G323-S326 CarbonylContact O-C 3.55Å; G323-S326 VanDerWaalsContact O-CA 3.29Å; G323-S326 WeakPolarHBondContact O-CA 3.48Å; G323-S326 VanDerWaalsContact O-CB 3.32Å; G323-S326 WeakPolarHBondContact O-CB 3.37Å; G323-S326 PolarHBondContact O-N 3.1Å; G323-R327 PolarHBondContact O-N 3.16Å; G323-R327 VanDerWaalsContact O-N 3.14Å; G323-D328 PolarHBondContact O-N 2.91Å; G323-Y356 PolarHBondContact N-O 2.69Å; G323-E358 VanDerWaalsContact CA-OE1 3.3Å; G323-E358 WeakPolarHBondContact CA-OE1 3.24Å; G323-E358 PolarHBondContact N-OE1 2.92Å
324	G	92.3	Very high	96.3	Very high	21 Å²	21	22.8 Å²	22.8	22%	0.216	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-54.4	-41.3	-177.3	0	0	0	0	0	113.9	N322 S326 R327 Y356 L357	N322-G324 VanDerWaalsContact C-N 3.33Å; N322-G324 PolarHBondContact O-N 3.1Å; G324-S326 VanDerWaalsContact C-N 3.25Å; G324-S326 PolarHBondContact O-N 3.35Å; G324-R327 PolarHBondContact O-N 3.4Å; G324-Y356 WeakPolarHBondContact CA-O 3.5Å; G324-Y356 PolarHBondContact N-O 3.25Å; G324-L357 VanDerWaalsContact CA-O 3.22Å; G324-L357 WeakPolarHBondContact CA-O 3.47Å
325	R	91.7	Very high	96.3	Very high	198 Å²	198	22.8 Å²	22.8	75%	0.747	11%	0.105	S	C	*	.	G	3₁₀ helix	trans	-64.9	-30.5	174.9	-171.3	176.6	-179.9	-179	1.5	112.7	G323 R327 W355	G323-R325 VanDerWaalsContact C-N 3.3Å; G323-R325 PolarHBondContact O-N 3.05Å; R325-R327 PolarHBondContact O-N 2.83Å; R325-W355 HydrophobicContact CB-CE3 4.09Å; R325-W355 HydrophobicContact CB-CZ3 4.07Å; R325-W355 PolarHBondContact N-O 3.01Å
326	S	93	Very high	96.2	Very high	35 Å²	35	22.7 Å²	22.7	25%	0.245	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-83.2	3.3	175.1	-55.5	0	0	0	0	112.4	D285 G323 G324 D328 F551	D285-S326 PolarHBondContact O-OG 3.27Å; G323-S326 CarbonylContact O-C 3.55Å; G323-S326 VanDerWaalsContact O-CA 3.29Å; G323-S326 WeakPolarHBondContact O-CA 3.48Å; G323-S326 VanDerWaalsContact O-CB 3.32Å; G323-S326 WeakPolarHBondContact O-CB 3.37Å; G323-S326 PolarHBondContact O-N 3.1Å; G324-S326 VanDerWaalsContact C-N 3.25Å; G324-S326 PolarHBondContact O-N 3.35Å; S326-D328 PolarHBondContact O-N 3.12Å; S326-F551 WeakPolarHBondContact O-CD2 3.46Å; S326-F551 WeakPolarHBondContact O-CE2 3.16Å
327	R	92.6	Very high	96.1	Very high	158 Å²	158	23.1 Å²	23.1	60%	0.596	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	41.8	-170.7	-56.9	-172.5	177.2	-164.6	-0.7	111.7	G323 G324 R325	G323-R327 PolarHBondContact O-N 3.16Å; G323-R327 VanDerWaalsContact O-N 3.14Å; G324-R327 PolarHBondContact O-N 3.4Å; R325-R327 PolarHBondContact O-N 2.83Å
328	D	96.6	Very high	96	Very high	14 Å²	14	24 Å²	24	8%	0.075	11%	0.113	C	C	.	.			trans	-76.1	168.1	172.3	-145	-10.5	0	0	0	111.4	D285 D286 G287 G323 S326 E358 R549	D285-D328 VanDerWaalsContact C-OD2 3.27Å; D285-D328 WeakPolarHBondContact CA-OD2 3.13Å; D286-D328 PolarHBondContact N-OD2 2.86Å; G287-D328 WeakPolarHBondContact CA-OD2 2.75Å; G287-D328 VanDerWaalsContact N-CG 3.3Å; G287-D328 PolarHBondContact N-OD2 2.85Å; G323-D328 PolarHBondContact O-N 2.91Å; S326-D328 PolarHBondContact O-N 3.12Å; D328-E358 HydrophobicContact CB-CG 4.15Å; D328-R549 IonicContact OD1-CZ 2.72Å; D328-R549 IonicContact OD1-NH1 3.69Å; D328-R549 PolarHBondContact OD1-NH1 3.22Å
329	H	97.1	Very high	96	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.014	12%	0.116	C	C	.	.			trans	-143.2	118	-177.8	-166.9	-78.6	0	0	0	109.3	S331 C332 E359 L545 L546 A547 R549	H329-S331 PolarHBondContact CE1-OG 3.21Å; H329-S331 PolarHBondContact ND1-OG 3.43Å; H329-S331 VanDerWaalsContact ND1-OG 3.16Å; H329-S331 PolarHBondContact O-N 3.49Å; H329-C332 WeakPolarHBondContact O-CB 3.49Å; H329-C332 PolarHBondContact O-N 3.32Å; H329-E359 PolarHBondContact CD2-O 3.34Å; H329-E359 PolarHBondContact NE2-O 3.29Å; H329-L545 PolarHBondContact CE1-O 2.7Å; H329-L546 HydrophobicContact CB-CD1 4.48Å; H329-A547 VanDerWaalsContact CD2-CB 3.47Å; H329-A547 WeakPolarHBondContact CD2-CB 3.49Å; H329-A547 PolarHBondContact CD2-N 3.45Å; H329-A547 PolarHBondContact NE2-N 2.66Å; H329-R549 HydrophobicContact CB-CG 4.35Å
330	C	97.1	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-64.8	-16.9	-166.9	38.4	0	0	0	0	114.5	S320 C332 D333 T336 E358 C360	S320-C330 WeakPolarHBondContact O-CB 3.47Å; C330-C332 PolarHBondContact O-N 3.13Å; C330-D333 WeakPolarHBondContact O-CB 3.03Å; C330-D333 PolarHBondContact O-N 3.13Å; C330-T336 HydrophobicContact CB-CG2 3.77Å; C330-T336 WeakPolarHBondContact O-CG2 3.37Å; C330-E358 WeakPolarHBondContact CA-OE2 3.23Å; C330-E358 HydrophobicContact CB-CB 3.98Å; C330-E358 PolarHBondContact N-OE2 2.03Å; C330-C360 HydrophobicContact CB-CB 3.98Å; C330-C360 WeakPolarHBondContact CB-SG 3.39Å; C330-C360 WeakPolarHBondContact SG-CB 3.22Å; C330-C360 PolarHBondContact SG-N 3.03Å; C330-C360 CovalentContact SG-SG 2.02Å; C330-C360 PolarHBondContact SG-SG 2.81Å
331	S	97.4	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-63.4	-9.4	168.1	-38.9	0	0	0	0	114.9	H329 C360 L545 W561	H329-S331 PolarHBondContact CE1-OG 3.21Å; H329-S331 PolarHBondContact ND1-OG 3.43Å; H329-S331 VanDerWaalsContact ND1-OG 3.16Å; H329-S331 PolarHBondContact O-N 3.49Å; S331-C360 VanDerWaalsContact OG-CB 3.29Å; S331-C360 WeakPolarHBondContact OG-CB 2.95Å; S331-L545 WeakPolarHBondContact CB-O 3.42Å; S331-L545 PolarHBondContact OG-O 3.5Å; S331-W561 WeakPolarHBondContact O-CZ2 3.39Å; S331-W561 PolarHBondContact O-NE1 2.8Å
332	C	97.9	Very high	96.4	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.02	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-88.6	-7.5	171.6	-66.2	0	0	0	0	113.1	V290 D291 H329 C330 L546 R549	V290-C332 WeakPolarHBondContact CA-O 3.49Å; V290-C332 HydrophobicContact CG2-CB 3.98Å; D291-C332 PolarHBondContact N-O 2.88Å; H329-C332 WeakPolarHBondContact O-CB 3.49Å; H329-C332 PolarHBondContact O-N 3.32Å; C330-C332 PolarHBondContact O-N 3.13Å; C332-L546 VanDerWaalsContact SG-CD1 3.6Å; C332-R549 VanDerWaalsContact SG-CZ 3.55Å
333	D	97.8	Very high	96.5	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-98.9	110.8	170.3	168.1	11.6	0	0	0	109.2	R110 P283 C330 Y335 T336 N337	R110-D333 IonicContact CZ-OD2 2.63Å; R110-D333 IonicContact NH2-OD2 2.95Å; R110-D333 PolarHBondContact NH2-OD2 3.33Å; P283-D333 WeakPolarHBondContact CD-OD1 3.37Å; P283-D333 HydrophobicContact CG-CB 4.15Å; C330-D333 WeakPolarHBondContact O-CB 3.03Å; C330-D333 PolarHBondContact O-N 3.13Å; D333-Y335 PolarHBondContact O-N 2.9Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.44Å; D333-Y335 VanDerWaalsContact OD1-CD2 3.28Å; D333-Y335 WeakPolarHBondContact OD1-CD2 3.27Å; D333-Y335 PolarHBondContact OD1-N 3.47Å; D333-T336 HydrophobicContact CB-CG2 3.54Å; D333-T336 VanDerWaalsContact CG-CG2 3.49Å; D333-T336 WeakPolarHBondContact O-CG2 3.45Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.29Å; D333-N337 WeakPolarHBondContact O-CB 3.26Å; D333-N337 PolarHBondContact O-N 3.22Å
334	G	97.2	Very high	96.7	Very high	11 Å²	11	25.2 Å²	25.2	11%	0.113	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-10.5	-178.5	0	0	0	0	0	115	D291 P293	D291-G334 PolarHBondContact O-N 3.37Å; P293-G334 VanDerWaalsContact CD-C 3.43Å; P293-G334 WeakPolarHBondContact CD-O 3.44Å
335	Y	97.6	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-61.5	172	-63.1	-91.5	0	0	0	109.5	R107 E263 W281 G292 P293 F301 W318 D333 N337 S338 T341	R107-Y335 PolarHBondContact NH2-OH 3.28Å; E263-Y335 PolarHBondContact OE1-OH 2.83Å; E263-Y335 PolarHBondContact OE2-OH 3.42Å; W281-Y335 HydrophobicContact CH2-CD1 4.24Å; W281-Y335 AromaticContact CH2-CE1 3.84Å; W281-Y335 HydrophobicContact CH2-CE1 3.84Å; W281-Y335 AromaticContact CZ3-CD1 3.89Å; W281-Y335 HydrophobicContact CZ3-CD1 3.89Å; W281-Y335 AromaticContact CZ3-CE1 3.47Å; W281-Y335 HydrophobicContact CZ3-CE1 3.47Å; W281-Y335 VanDerWaalsContact CZ3-CE1 3.47Å; W281-Y335 HydrophobicContact CZ3-CE2 4.35Å; W281-Y335 HydrophobicContact CZ3-CG 4.5Å; W281-Y335 AromaticContact CZ3-CZ 3.75Å; G292-Y335 VanDerWaalsContact C-CE2 3.49Å; G292-Y335 PolarHBondContact O-OH 2.84Å; P293-Y335 WeakPolarHBondContact CA-OH 3.32Å; P293-Y335 HydrophobicContact CB-CD1 4.44Å; P293-Y335 HydrophobicContact CB-CE1 3.89Å; P293-Y335 HydrophobicContact CG-CE1 4.49Å; F301-Y335 HydrophobicContact CE2-CD1 4.03Å; F301-Y335 HydrophobicContact CE2-CE1 4.36Å; F301-Y335 HydrophobicContact CZ-CD1 4.17Å; W318-Y335 HydrophobicContact CH2-CD1 4.31Å; W318-Y335 AromaticContact CZ2-CD1 3.72Å; W318-Y335 HydrophobicContact CZ2-CD1 3.72Å; W318-Y335 HydrophobicContact CZ2-CG 4.2Å; D333-Y335 PolarHBondContact O-N 2.9Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.44Å; D333-Y335 VanDerWaalsContact OD1-CD2 3.28Å; D333-Y335 WeakPolarHBondContact OD1-CD2 3.27Å; D333-Y335 PolarHBondContact OD1-N 3.47Å; Y335-N337 VanDerWaalsContact C-N 3.25Å; Y335-N337 PolarHBondContact O-N 2.77Å; Y335-S338 WeakPolarHBondContact O-CB 3.26Å; Y335-S338 PolarHBondContact O-N 3.36Å; Y335-T341 PolarHBondContact O-OG1 3.3Å
336	T	96.1	Very high	97.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.7	179.1	-175	0	0	0	0	113.7	C330 D333 S338 S343	C330-T336 HydrophobicContact CB-CG2 3.77Å; C330-T336 WeakPolarHBondContact O-CG2 3.37Å; D333-T336 HydrophobicContact CB-CG2 3.54Å; D333-T336 VanDerWaalsContact CG-CG2 3.49Å; D333-T336 WeakPolarHBondContact O-CG2 3.45Å; D333-T336 WeakPolarHBondContact OD2-CG2 3.29Å; T336-S338 VanDerWaalsContact C-N 3.3Å; T336-S343 WeakPolarHBondContact OG1-CB 3.4Å; T336-S343 PolarHBondContact OG1-OG 2.9Å
337	N	96.6	Very high	97.2	Very high	10 Å²	10	13.1 Å²	13.1	5%	0.053	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.7	177.2	-177	86.1	0	0	0	113.4	D333 Y335 E562 M564	D333-N337 WeakPolarHBondContact O-CB 3.26Å; D333-N337 PolarHBondContact O-N 3.22Å; Y335-N337 VanDerWaalsContact C-N 3.25Å; Y335-N337 PolarHBondContact O-N 2.77Å; N337-E562 PolarHBondContact ND2-O 3.28Å; N337-M564 VanDerWaalsContact O-CB 3.24Å; N337-M564 WeakPolarHBondContact O-CB 3.25Å; N337-M564 WeakPolarHBondContact OD1-CB 3.2Å; N337-M564 PolarHBondContact OD1-N 2.64Å
338	S	97.9	Very high	97.2	Very high	18 Å²	18	5.7 Å²	5.7	13%	0.126	3%	0.033	C	C	.	.			trans	-73.9	142.2	175.4	-176.7	0	0	0	0	111.5	Y335 T336 Y340 T341	Y335-S338 WeakPolarHBondContact O-CB 3.26Å; Y335-S338 PolarHBondContact O-N 3.36Å; T336-S338 VanDerWaalsContact C-N 3.3Å; S338-Y340 PolarHBondContact O-N 2.79Å; S338-Y340 WeakPolarHBondContact OG-CD2 3.45Å; S338-Y340 PolarHBondContact OG-N 2.87Å; S338-T341 PolarHBondContact O-N 2.63Å; S338-T341 PolarHBondContact O-OG1 2.85Å
339	I	98.3	Very high	96.8	Very high	10 Å²	10	8 Å²	8	5%	0.051	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.1	172.2	70.8	173.9	0	0	0	112.2	T341 W417 Q421 H516 V518 M564 Y605	I339-T341 VanDerWaalsContact C-N 3.3Å; I339-W417 WeakPolarHBondContact O-CZ3 3.23Å; I339-Q421 PolarHBondContact O-NE2 3.27Å; I339-Q421 VanDerWaalsContact O-NE2 3.15Å; I339-H516 HydrophobicContact CB-CB 4.22Å; I339-H516 HydrophobicContact CG2-CB 3.52Å; I339-V518 HydrophobicContact CG2-CG2 4.01Å; I339-M564 HydrophobicContact CG2-CG 3.94Å; I339-Y605 HydrophobicContact CD1-CD1 3.65Å; I339-Y605 HydrophobicContact CD1-CD2 4.26Å; I339-Y605 HydrophobicContact CD1-CE1 3.4Å; I339-Y605 HydrophobicContact CD1-CE2 4.02Å; I339-Y605 HydrophobicContact CD1-CG 4.09Å; I339-Y605 HydrophobicContact CG2-CE2 4.46Å
340	Y	98.3	Very high	96.3	Very high	33 Å²	33	10.1 Å²	10.1	13%	0.129	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.9	-176.6	-51.3	-44.1	0	0	0	112.9	F301 E302 I305 S338 W417	F301-Y340 HydrophobicContact CB-CD2 3.7Å; F301-Y340 HydrophobicContact CB-CE2 4.46Å; F301-Y340 HydrophobicContact CB-CG 4.3Å; F301-Y340 HydrophobicContact CG-CD2 4.44Å; E302-Y340 HydrophobicContact CG-CE2 3.75Å; I305-Y340 HydrophobicContact CD1-CD1 4.13Å; I305-Y340 HydrophobicContact CD1-CE1 3.96Å; I305-Y340 HydrophobicContact CG1-CD1 3.82Å; I305-Y340 HydrophobicContact CG1-CE1 4.06Å; I305-Y340 HydrophobicContact CG1-CG 4.4Å; I305-Y340 HydrophobicContact CG2-CD1 4.19Å; I305-Y340 HydrophobicContact CG2-CG 4.33Å; S338-Y340 PolarHBondContact O-N 2.79Å; S338-Y340 WeakPolarHBondContact OG-CD2 3.45Å; S338-Y340 PolarHBondContact OG-N 2.87Å; Y340-W417 HydrophobicContact CD1-CH2 4.28Å
341	T	98.6	Very high	96	Very high	7 Å²	7	10.1 Å²	10.1	4%	0.043	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.3	179.9	55.3	0	0	0	0	111	F301 F316 W318 Y335 S338 I339 S343	F301-T341 HydrophobicContact CE1-CG2 3.8Å; F301-T341 HydrophobicContact CZ-CG2 3.94Å; F316-T341 HydrophobicContact CB-CG2 4.13Å; F316-T341 CarbonylContact O-C 3.27Å; F316-T341 WeakPolarHBondContact O-CA 3.43Å; W318-T341 HydrophobicContact CB-CG2 4.43Å; W318-T341 HydrophobicContact CD2-CG2 4.15Å; W318-T341 HydrophobicContact CE3-CG2 3.75Å; W318-T341 HydrophobicContact CG-CG2 4.45Å; W318-T341 HydrophobicContact CZ3-CG2 4.43Å; Y335-T341 PolarHBondContact O-OG1 3.3Å; S338-T341 PolarHBondContact O-N 2.63Å; S338-T341 PolarHBondContact O-OG1 2.85Å; I339-T341 VanDerWaalsContact C-N 3.3Å; T341-S343 PolarHBondContact O-N 3.22Å
342	I	98.8	Very high	95.7	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	99.7	169.3	-53.9	-177	0	0	0	106.9	V315 F316 W318 I344 L364 I405 V420 Q421 I424	V315-I342 HydrophobicContact CG1-CD1 3.66Å; F316-I342 PolarHBondContact O-N 3.34Å; W318-I342 PolarHBondContact N-O 2.98Å; I342-I344 HydrophobicContact CG2-CD1 3.68Å; I342-L364 HydrophobicContact CG2-CB 4.42Å; I342-L364 HydrophobicContact CG2-CD2 3.91Å; I342-I405 HydrophobicContact CD1-CD1 3.9Å; I342-V420 HydrophobicContact CD1-CG1 3.75Å; I342-Q421 HydrophobicContact CD1-CG 4.04Å; I342-Q421 HydrophobicContact CG1-CG 3.87Å; I342-I424 HydrophobicContact CD1-CD1 3.99Å; I342-I424 HydrophobicContact CG2-CD1 3.83Å
343	S	98.5	Very high	95.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.7	179.2	178.9	0	0	0	0	111.4	W318 T336 T341 L364 T365	W318-S343 CarbonylContact O-C 3.56Å; W318-S343 WeakPolarHBondContact O-CA 3.38Å; T336-S343 WeakPolarHBondContact OG1-CB 3.4Å; T336-S343 PolarHBondContact OG1-OG 2.9Å; T341-S343 PolarHBondContact O-N 3.22Å; S343-L364 PolarHBondContact O-N 3.25Å; S343-T365 PolarHBondContact O-N 3.48Å
344	I	98.6	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.9	-173.7	-51	-61.2	0	0	0	110.4	V317 W318 S320 I342 T365 T367 A398 A401 M456	V317-I344 HydrophobicContact CG1-CD1 4.24Å; V317-I344 HydrophobicContact CG1-CG1 3.57Å; W318-I344 PolarHBondContact O-N 2.85Å; S320-I344 WeakPolarHBondContact CB-O 3.48Å; S320-I344 PolarHBondContact N-O 2.92Å; S320-I344 PolarHBondContact OG-O 3.11Å; I342-I344 HydrophobicContact CG2-CD1 3.68Å; I344-T365 WeakPolarHBondContact CA-O 3.49Å; I344-T365 HydrophobicContact CD1-CG2 3.42Å; I344-T365 VanDerWaalsContact CD1-CG2 3.42Å; I344-T367 HydrophobicContact CG2-CG2 4.43Å; I344-A398 HydrophobicContact CB-CB 4.47Å; I344-A401 HydrophobicContact CB-CB 4.41Å; I344-A401 HydrophobicContact CD1-CB 3.5Å; I344-A401 VanDerWaalsContact CD1-CB 3.5Å; I344-A401 HydrophobicContact CG1-CB 3.6Å; I344-A401 HydrophobicContact CG2-CB 3.96Å; I344-M456 HydrophobicContact CD1-SD 4.48Å
345	S	97.8	Very high	95	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	176.3	172.4	179.6	0	0	0	0	112	L357 T365 T366 T367 S397 L450	S345-L357 WeakPolarHBondContact OG-CD1 3.35Å; S345-T365 PolarHBondContact N-O 3.05Å; S345-T366 WeakPolarHBondContact O-CA 3.37Å; S345-T367 PolarHBondContact O-N 3.42Å; S345-S397 WeakPolarHBondContact O-CB 3.17Å; S345-S397 PolarHBondContact O-OG 3.13Å; S345-L450 VanDerWaalsContact CB-O 3.29Å; S345-L450 WeakPolarHBondContact CB-O 3.45Å; S345-L450 PolarHBondContact OG-O 3.15Å
346	S	96.7	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.2	179.7	-64.2	0	0	0	0	112.8	P354 T367 T394 S397	S346-P354 VanDerWaalsContact O-CD 3.23Å; S346-P354 WeakPolarHBondContact O-CD 3.39Å; S346-T367 WeakPolarHBondContact CA-O 3.35Å; S346-T394 VanDerWaalsContact OG-CA 3.23Å; S346-T394 WeakPolarHBondContact OG-CA 3.33Å; S346-T394 WeakPolarHBondContact OG-CG2 3.49Å; S346-S397 WeakPolarHBondContact CB-OG 3.35Å; S346-S397 WeakPolarHBondContact OG-CB 3.09Å; S346-S397 PolarHBondContact OG-OG 3.37Å
347	T	94.9	Very high	94.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.4	163.5	-163.2	0	0	0	0	111.2	G351 R352 T366 T367 Y368 S369 L433 L455	T347-G351 WeakPolarHBondContact OG1-CA 3.27Å; T347-G351 PolarHBondContact OG1-O 2.73Å; T347-R352 PolarHBondContact OG1-O 2.62Å; T347-T366 HydrophobicContact CG2-CG2 4.1Å; T347-T367 PolarHBondContact N-O 2.97Å; T347-Y368 HydrophobicContact CG2-CD1 3.43Å; T347-Y368 VanDerWaalsContact CG2-CD1 3.43Å; T347-Y368 HydrophobicContact CG2-CE1 3.72Å; T347-Y368 HydrophobicContact CG2-CG 4.37Å; T347-Y368 CarbonylContact O-C 3.46Å; T347-Y368 WeakPolarHBondContact O-CA 3.17Å; T347-S369 PolarHBondContact O-N 2.98Å; T347-L433 HydrophobicContact CG2-CD2 3.59Å; T347-L433 WeakPolarHBondContact OG1-CD2 3.39Å; T347-L455 HydrophobicContact CG2-CD1 3.9Å
348	A	92.1	Very high	94.6	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	12%	0.115	C	C	.	.			trans	-72.6	166.9	169.3	0	0	0	0	0	110.7	S350 G351 R352 D375	A348-S350 PolarHBondContact O-N 3.1Å; A348-S350 VanDerWaalsContact O-N 3.15Å; A348-G351 PolarHBondContact O-N 3.38Å; A348-R352 PolarHBondContact N-O 2.76Å; A348-R352 VanDerWaalsContact N-O 3.08Å; A348-D375 HydrophobicContact CB-CB 4.39Å
349	E	87.9	Confident	94.5	Very high	61 Å²	61	27.3 Å²	27.3	29%	0.285	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.7	171.3	-178.5	179.3	-177.9	0	0	112.6	W144 G351 R376	W144-E349 HydrophobicContact CD2-CG 4.46Å; W144-E349 HydrophobicContact CE3-CB 4.01Å; W144-E349 HydrophobicContact CE3-CG 3.8Å; W144-E349 HydrophobicContact CH2-CB 3.67Å; W144-E349 HydrophobicContact CH2-CG 4.37Å; W144-E349 HydrophobicContact CZ2-CB 4.27Å; W144-E349 HydrophobicContact CZ3-CB 3.55Å; W144-E349 HydrophobicContact CZ3-CG 3.77Å; E349-G351 PolarHBondContact O-N 3.26Å; E349-R376 VanDerWaalsContact CD-NE 3.33Å; E349-R376 IonicContact OE1-CZ 3.39Å; E349-R376 VanDerWaalsContact OE1-CZ 3.24Å; E349-R376 IonicContact OE1-NE 3.91Å; E349-R376 PolarHBondContact OE1-NE 3.47Å; E349-R376 VanDerWaalsContact OE1-NE 3.11Å; E349-R376 IonicContact OE1-NH2 2.84Å; E349-R376 PolarHBondContact OE1-NH2 3.44Å; E349-R376 WeakPolarHBondContact OE2-CB 3.49Å; E349-R376 WeakPolarHBondContact OE2-CG 3.45Å; E349-R376 IonicContact OE2-CZ 3.7Å; E349-R376 IonicContact OE2-NE 3.8Å; E349-R376 PolarHBondContact OE2-NE 3.23Å; E349-R376 IonicContact OE2-NH2 3.87Å
350	S	86.8	Confident	94.3	Very high	49 Å²	49	26.8 Å²	26.8	34%	0.343	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-1.4	177.9	57.4	0	0	0	0	115.3	A348 R352 D375	A348-S350 PolarHBondContact O-N 3.1Å; A348-S350 VanDerWaalsContact O-N 3.15Å; S350-R352 PolarHBondContact O-N 3.01Å; S350-D375 PolarHBondContact OG-OD1 3.37Å
351	G	90.1	Very high	94.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	73.6	6.7	-173.5	0	0	0	0	0	114.2	T347 A348 E349 H432 L433 S434 Y451	T347-G351 WeakPolarHBondContact OG1-CA 3.27Å; T347-G351 PolarHBondContact OG1-O 2.73Å; A348-G351 PolarHBondContact O-N 3.38Å; E349-G351 PolarHBondContact O-N 3.26Å; G351-H432 WeakPolarHBondContact CA-CD2 3.39Å; G351-H432 WeakPolarHBondContact CA-NE2 3.38Å; G351-H432 PolarHBondContact N-CD2 3.14Å; G351-H432 PolarHBondContact N-NE2 2.88Å; G351-L433 WeakPolarHBondContact O-CA 3.44Å; G351-S434 PolarHBondContact O-N 2.82Å; G351-Y451 PolarHBondContact O-OH 3.22Å; G351-Y451 VanDerWaalsContact O-OH 3.07Å
352	R	91.5	Very high	94.3	Very high	145 Å²	145	25 Å²	25	55%	0.547	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-90.1	154.4	179.8	-66.5	-178.2	178	177.2	0.3	111.3	T347 A348 S350 P354	T347-R352 PolarHBondContact OG1-O 2.62Å; A348-R352 PolarHBondContact N-O 2.76Å; A348-R352 VanDerWaalsContact N-O 3.08Å; S350-R352 PolarHBondContact O-N 3.01Å; R352-P354 WeakPolarHBondContact O-CD 3.38Å
353	K	93.1	Very high	94.3	Very high	111 Å²	111	24.9 Å²	24.9	48%	0.483	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-67	129.1	178.4	77	170.7	-169.3	164.6	0	109.7	L357 E359 L450 Y451	K353-L357 HydrophobicContact CB-CD2 4.13Å; K353-E359 IonicContact NZ-OE2 2.88Å; K353-L450 HydrophobicContact CB-CD1 4.48Å; K353-L450 HydrophobicContact CB-CD2 4.36Å; K353-L450 HydrophobicContact CD-CD1 4Å; K353-L450 HydrophobicContact CD-CD2 3.61Å; K353-L450 HydrophobicContact CD-CG 4.5Å; K353-Y451 VanDerWaalsContact CA-OH 3.31Å; K353-Y451 WeakPolarHBondContact CA-OH 3.5Å; K353-Y451 PolarHBondContact N-OH 2.9Å
354	P	93	Very high	94.3	Very high	4 Å²	4	25 Å²	25	3%	0.026	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-65.8	151.8	171.8	-22	34	0	0	0	111.5	S346 R352 Y356 L357 S370	S346-P354 VanDerWaalsContact O-CD 3.23Å; S346-P354 WeakPolarHBondContact O-CD 3.39Å; R352-P354 WeakPolarHBondContact O-CD 3.38Å; P354-Y356 HydrophobicContact CB-CD1 3.89Å; P354-Y356 HydrophobicContact CB-CD2 4.19Å; P354-Y356 HydrophobicContact CB-CE1 3.39Å; P354-Y356 HydrophobicContact CB-CE2 3.73Å; P354-Y356 HydrophobicContact CB-CG 4.26Å; P354-Y356 HydrophobicContact CG-CE1 4.32Å; P354-Y356 HydrophobicContact CG-CE2 4.17Å; P354-Y356 PolarHBondContact O-N 3.15Å; P354-L357 WeakPolarHBondContact O-CB 3.33Å; P354-L357 PolarHBondContact O-N 2.98Å; P354-L357 VanDerWaalsContact O-N 3.14Å; P354-S370 WeakPolarHBondContact CG-O 3.46Å
355	W	91.5	Very high	94.3	Very high	76 Å²	76	25 Å²	25	29%	0.288	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.8	-177.4	63.4	-94	0	0	0	113.8	Y112 R325	Y112-W355 HydrophobicContact CD1-CH2 4.4Å; Y112-W355 AromaticContact CD1-CZ2 3.74Å; Y112-W355 HydrophobicContact CD1-CZ2 3.74Å; Y112-W355 AromaticContact CD2-CH2 3.21Å; Y112-W355 HydrophobicContact CD2-CH2 3.21Å; Y112-W355 AromaticContact CD2-CZ2 3.43Å; Y112-W355 HydrophobicContact CD2-CZ2 3.43Å; Y112-W355 VanDerWaalsContact CD2-CZ2 3.43Å; Y112-W355 HydrophobicContact CD2-CZ3 4.47Å; Y112-W355 HydrophobicContact CE1-CH2 4.26Å; Y112-W355 AromaticContact CE1-CZ2 3.53Å; Y112-W355 HydrophobicContact CE1-CZ2 3.53Å; Y112-W355 AromaticContact CE2-CH2 3.02Å; Y112-W355 HydrophobicContact CE2-CH2 3.02Å; Y112-W355 AromaticContact CE2-CZ2 3.2Å; Y112-W355 HydrophobicContact CE2-CZ2 3.2Å; Y112-W355 HydrophobicContact CE2-CZ3 4.13Å; Y112-W355 AromaticContact CG-CH2 3.9Å; Y112-W355 HydrophobicContact CG-CH2 3.9Å; Y112-W355 AromaticContact CG-CZ2 3.66Å; Y112-W355 HydrophobicContact CG-CZ2 3.66Å; Y112-W355 AromaticContact CZ-CH2 3.58Å; Y112-W355 AromaticContact CZ-CZ2 3.22Å; R325-W355 HydrophobicContact CB-CE3 4.09Å; R325-W355 HydrophobicContact CB-CZ3 4.07Å; R325-W355 PolarHBondContact N-O 3.01Å
356	Y	92.5	Very high	94.3	Very high	1 Å²	1	25 Å²	25	0%	0.004	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.8	178.5	53.2	-99.6	0	0	0	113.4	N322 G323 G324 P354 E358 S369 S370 G393 T394	N322-Y356 CarbonylContact C-O 3.35Å; N322-Y356 WeakPolarHBondContact CA-O 3.46Å; N322-Y356 WeakPolarHBondContact OD1-CD2 2.95Å; G323-Y356 PolarHBondContact N-O 2.69Å; G324-Y356 WeakPolarHBondContact CA-O 3.5Å; G324-Y356 PolarHBondContact N-O 3.25Å; P354-Y356 HydrophobicContact CB-CD1 3.89Å; P354-Y356 HydrophobicContact CB-CD2 4.19Å; P354-Y356 HydrophobicContact CB-CE1 3.39Å; P354-Y356 HydrophobicContact CB-CE2 3.73Å; P354-Y356 HydrophobicContact CB-CG 4.26Å; P354-Y356 HydrophobicContact CG-CE1 4.32Å; P354-Y356 HydrophobicContact CG-CE2 4.17Å; P354-Y356 PolarHBondContact O-N 3.15Å; Y356-E358 PolarHBondContact O-N 3.23Å; Y356-S369 WeakPolarHBondContact OH-CB 3.23Å; Y356-S369 PolarHBondContact OH-OG 2.96Å; Y356-S369 VanDerWaalsContact OH-OG 3.13Å; Y356-S370 WeakPolarHBondContact CE1-OG 3.47Å; Y356-S370 PolarHBondContact OH-O 2.93Å; Y356-S370 PolarHBondContact OH-OG 3.23Å; Y356-S370 VanDerWaalsContact OH-OG 3.13Å; Y356-G393 VanDerWaalsContact CE2-CA 3.44Å; Y356-T394 HydrophobicContact CD2-CG2 4.29Å; Y356-T394 HydrophobicContact CE2-CG2 4.1Å
357	L	94.6	Very high	94.4	Very high	8 Å²	8	25 Å²	25	4%	0.042	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-65.3	134.2	-169.4	-176.1	69.9	0	0	0	112.7	G324 S345 K353 P354 T394 L450 Y451	G324-L357 VanDerWaalsContact CA-O 3.22Å; G324-L357 WeakPolarHBondContact CA-O 3.47Å; S345-L357 WeakPolarHBondContact OG-CD1 3.35Å; K353-L357 HydrophobicContact CB-CD2 4.13Å; P354-L357 WeakPolarHBondContact O-CB 3.33Å; P354-L357 PolarHBondContact O-N 2.98Å; P354-L357 VanDerWaalsContact O-N 3.14Å; L357-T394 HydrophobicContact CD1-CG2 3.86Å; L357-L450 HydrophobicContact CD2-CB 4.37Å; L357-L450 HydrophobicContact CD2-CD2 3.98Å; L357-Y451 HydrophobicContact CD2-CE1 4.42Å
358	E	95.8	Very high	94.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-92.7	134.7	167	-66.4	-178.3	-135.1	0	0	111.2	D285 G321 N322 G323 D328 C330 Y356	D285-E358 VanDerWaalsContact CG-OE1 3.29Å; G321-E358 VanDerWaalsContact C-OE1 3.3Å; G321-E358 VanDerWaalsContact CA-OE1 3.23Å; G321-E358 WeakPolarHBondContact CA-OE1 3.33Å; N322-E358 PolarHBondContact N-OE1 2.84Å; N322-E358 VanDerWaalsContact N-OE1 3.15Å; G323-E358 VanDerWaalsContact CA-OE1 3.3Å; G323-E358 WeakPolarHBondContact CA-OE1 3.24Å; G323-E358 PolarHBondContact N-OE1 2.92Å; D328-E358 HydrophobicContact CB-CG 4.15Å; C330-E358 WeakPolarHBondContact CA-OE2 3.23Å; C330-E358 HydrophobicContact CB-CB 3.98Å; C330-E358 PolarHBondContact N-OE2 2.03Å; Y356-E358 PolarHBondContact O-N 3.23Å
359	E	94.8	Very high	94.6	Very high	61 Å²	61	25.6 Å²	25.6	29%	0.285	11%	0.114	S	C	.	.	P	Polyproline II helix	trans	-98.9	140	175.9	63.6	-165.3	-156.3	0	0	110.4	H329 K353 H449 L450	H329-E359 PolarHBondContact CD2-O 3.34Å; H329-E359 PolarHBondContact NE2-O 3.29Å; K353-E359 IonicContact NZ-OE2 2.88Å; E359-H449 WeakPolarHBondContact CA-O 3.49Å; E359-H449 HydrophobicContact CB-CB 4.29Å; E359-L450 HydrophobicContact CB-CD2 3.9Å; E359-L450 WeakPolarHBondContact OE2-CD2 3.48Å
360	C	95.4	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.			trans	-167.7	160.4	172.7	55.4	0	0	0	0	111.8	C330 S331 S362 T363 H449	C330-C360 HydrophobicContact CB-CB 3.98Å; C330-C360 WeakPolarHBondContact CB-SG 3.39Å; C330-C360 WeakPolarHBondContact SG-CB 3.22Å; C330-C360 PolarHBondContact SG-N 3.03Å; C330-C360 CovalentContact SG-SG 2.02Å; C330-C360 PolarHBondContact SG-SG 2.81Å; S331-C360 VanDerWaalsContact OG-CB 3.29Å; S331-C360 WeakPolarHBondContact OG-CB 2.95Å; C360-S362 PolarHBondContact O-N 2.79Å; C360-S362 PolarHBondContact SG-OG 3.01Å; C360-T363 PolarHBondContact SG-OG1 2.92Å; C360-H449 PolarHBondContact N-O 3.33Å
361	S	98.1	Very high	94.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.3	178	55.7	0	0	0	0	114.9	Q544 M564 T565 T566 H567	S361-Q544 PolarHBondContact OG-O 3.48Å; S361-M564 PolarHBondContact OG-O 3.21Å; S361-T565 WeakPolarHBondContact O-CA 3.28Å; S361-T566 PolarHBondContact O-N 3.13Å; S361-T566 PolarHBondContact O-OG1 3.13Å; S361-H567 PolarHBondContact O-CD2 3.48Å
362	S	98.1	Very high	94.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-17.7	179.3	55.4	0	0	0	0	113.9	C360 L364	C360-S362 PolarHBondContact O-N 2.79Å; C360-S362 PolarHBondContact SG-OG 3.01Å; S362-L364 PolarHBondContact O-N 3.16Å
363	T	98.5	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.			trans	-57.4	128.3	175.3	-62.4	0	0	0	0	110.2	C360 G452 T566	C360-T363 PolarHBondContact SG-OG1 2.92Å; T363-G452 WeakPolarHBondContact O-CA 3.36Å; T363-T566 PolarHBondContact O-OG1 2.59Å
364	L	98.7	Very high	92.5	Very high	4 Å²	4	28 Å²	28	2%	0.021	13%	0.13	C	C	.	.			trans	-92.9	-44.5	178.8	-163.6	73.6	0	0	0	111.8	I342 S343 S362 Q421 I424 V425 F453 T566 W569	I342-L364 HydrophobicContact CG2-CB 4.42Å; I342-L364 HydrophobicContact CG2-CD2 3.91Å; S343-L364 PolarHBondContact O-N 3.25Å; S362-L364 PolarHBondContact O-N 3.16Å; L364-Q421 HydrophobicContact CD2-CB 3.95Å; L364-Q421 HydrophobicContact CD2-CG 3.99Å; L364-I424 HydrophobicContact CD2-CB 4.09Å; L364-I424 HydrophobicContact CD2-CD1 4.24Å; L364-I424 HydrophobicContact CD2-CG2 3.79Å; L364-I424 HydrophobicContact CG-CG2 4.08Å; L364-V425 HydrophobicContact CD1-CG2 3.82Å; L364-V425 HydrophobicContact CG-CG2 4.42Å; L364-F453 HydrophobicContact CD1-CD2 4.05Å; L364-F453 HydrophobicContact CD1-CE2 3.94Å; L364-F453 HydrophobicContact CG-CD2 4.43Å; L364-F453 VanDerWaalsContact O-CD2 3.28Å; L364-F453 WeakPolarHBondContact O-CD2 3.44Å; L364-F453 PolarHBondContact O-N 3.29Å; L364-T566 HydrophobicContact CD1-CG2 3.86Å; L364-W569 HydrophobicContact CD1-CE3 4.35Å; L364-W569 HydrophobicContact CD1-CZ3 4.15Å
365	T	98.5	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-179.3	-173.7	-169.2	0	0	0	0	111.2	S343 I344 S345 I424 S428 G454 M456	S343-T365 PolarHBondContact O-N 3.48Å; I344-T365 WeakPolarHBondContact CA-O 3.49Å; I344-T365 HydrophobicContact CD1-CG2 3.42Å; I344-T365 VanDerWaalsContact CD1-CG2 3.42Å; S345-T365 PolarHBondContact N-O 3.05Å; T365-I424 VanDerWaalsContact CB-CG2 3.49Å; T365-I424 HydrophobicContact CG2-CG2 3.55Å; T365-S428 PolarHBondContact OG1-OG 2.95Å; T365-G454 PolarHBondContact OG1-O 3.18Å; T365-M456 HydrophobicContact CG2-CG 3.59Å; T365-M456 HydrophobicContact CG2-SD 3.68Å; T365-M456 VanDerWaalsContact OG1-CG 3.24Å; T365-M456 WeakPolarHBondContact OG1-CG 3.47Å
366	T	98.3	Very high	91.8	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.9	-174.4	-58	0	0	0	0	110.9	S345 T347 Y451 G454 L455 M456	S345-T366 WeakPolarHBondContact O-CA 3.37Å; T347-T366 HydrophobicContact CG2-CG2 4.1Å; T366-Y451 HydrophobicContact CG2-CD1 3.81Å; T366-Y451 HydrophobicContact CG2-CE1 4.38Å; T366-Y451 VanDerWaalsContact OG1-C 3.3Å; T366-Y451 WeakPolarHBondContact OG1-CA 3.18Å; T366-Y451 WeakPolarHBondContact OG1-CB 3.24Å; T366-Y451 PolarHBondContact OG1-O 3.44Å; T366-G454 PolarHBondContact N-O 3.43Å; T366-L455 HydrophobicContact CG2-CD1 4.35Å; T366-L455 WeakPolarHBondContact O-CA 3.3Å; T366-M456 PolarHBondContact O-N 2.74Å
367	T	97.7	Very high	91.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	172.4	163.4	58.3	0	0	0	0	109.7	M159 I344 S345 S346 T347 S397 M400 A401 I404 M456	M159-T367 HydrophobicContact SD-CG2 4.11Å; I344-T367 HydrophobicContact CG2-CG2 4.43Å; S345-T367 PolarHBondContact O-N 3.42Å; S346-T367 WeakPolarHBondContact CA-O 3.35Å; T347-T367 PolarHBondContact N-O 2.97Å; T367-S397 PolarHBondContact O-OG 3.12Å; T367-S397 VanDerWaalsContact OG1-C 3.23Å; T367-S397 WeakPolarHBondContact OG1-CA 2.97Å; T367-S397 WeakPolarHBondContact OG1-CB 3.33Å; T367-S397 PolarHBondContact OG1-O 2.94Å; T367-M400 HydrophobicContact CG2-CB 4.42Å; T367-A401 HydrophobicContact CG2-CB 3.95Å; T367-I404 HydrophobicContact CG2-CD1 4.42Å; T367-M456 HydrophobicContact CG2-CB 4.18Å; T367-M456 HydrophobicContact CG2-CG 4.01Å; T367-M456 HydrophobicContact CG2-SD 3.58Å; T367-M456 VanDerWaalsContact CG2-SD 3.58Å
368	Y	95.6	Very high	91.7	Very high	14 Å²	14	32 Å²	32	6%	0.055	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	159.6	176.6	-72.8	-59.8	0	0	0	112.2	W144 M159 T347 S397 M400 H432 L455	W144-Y368 AromaticContact CH2-CD1 3.72Å; W144-Y368 HydrophobicContact CH2-CD1 3.72Å; W144-Y368 HydrophobicContact CH2-CD2 4.49Å; W144-Y368 HydrophobicContact CH2-CE1 4.5Å; W144-Y368 AromaticContact CH2-CG 3.73Å; W144-Y368 HydrophobicContact CH2-CG 3.73Å; W144-Y368 AromaticContact CZ3-CD1 3.61Å; W144-Y368 HydrophobicContact CZ3-CD1 3.61Å; W144-Y368 HydrophobicContact CZ3-CD2 4.01Å; W144-Y368 AromaticContact CZ3-CE1 3.99Å; W144-Y368 HydrophobicContact CZ3-CE1 3.99Å; W144-Y368 HydrophobicContact CZ3-CE2 4.36Å; W144-Y368 AromaticContact CZ3-CG 3.64Å; W144-Y368 HydrophobicContact CZ3-CG 3.64Å; M159-Y368 HydrophobicContact CE-CD2 3.52Å; M159-Y368 HydrophobicContact CE-CE2 4.34Å; M159-Y368 HydrophobicContact CE-CG 4.37Å; M159-Y368 HydrophobicContact CG-CD2 3.72Å; M159-Y368 HydrophobicContact CG-CE2 3.73Å; M159-Y368 HydrophobicContact SD-CD2 3.61Å; M159-Y368 HydrophobicContact SD-CE2 4.26Å; M159-Y368 HydrophobicContact SD-CG 4.3Å; T347-Y368 HydrophobicContact CG2-CD1 3.43Å; T347-Y368 VanDerWaalsContact CG2-CD1 3.43Å; T347-Y368 HydrophobicContact CG2-CE1 3.72Å; T347-Y368 HydrophobicContact CG2-CG 4.37Å; T347-Y368 CarbonylContact O-C 3.46Å; T347-Y368 WeakPolarHBondContact O-CA 3.17Å; Y368-S397 PolarHBondContact O-OG 2.8Å; Y368-M400 WeakPolarHBondContact O-CE 3.32Å; Y368-H432 AromaticContact CE1-CE1 3.7Å; Y368-H432 AromaticContact CE1-NE2 3.61Å; Y368-H432 AromaticContact CZ-CE1 3.66Å; Y368-H432 AromaticContact CZ-NE2 3.95Å; Y368-H432 PolarHBondContact OH-CE1 2.91Å; Y368-H432 PolarHBondContact OH-NE2 3.41Å; Y368-L455 HydrophobicContact CE1-CD2 4.48Å; Y368-L455 HydrophobicContact CE2-CD2 4.01Å
369	S	95.3	Very high	91.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.149	C	C	.	.			trans	-160.8	-160.9	163.7	-173.8	0	0	0	0	108.2	T347 Y356 G393 S397	T347-S369 PolarHBondContact O-N 2.98Å; Y356-S369 WeakPolarHBondContact OH-CB 3.23Å; Y356-S369 PolarHBondContact OH-OG 2.96Å; Y356-S369 VanDerWaalsContact OH-OG 3.13Å; S369-G393 PolarHBondContact OG-N 2.96Å; S369-G393 PolarHBondContact OG-O 3.22Å; S369-S397 WeakPolarHBondContact CB-OG 3.48Å
370	S	91.2	Very high	91.8	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.028	14%	0.135	C	C	.	.			trans	-69.4	154	171.1	59.7	0	0	0	0	113.4	P354 Y356 T392 G393	P354-S370 WeakPolarHBondContact CG-O 3.46Å; Y356-S370 WeakPolarHBondContact CE1-OG 3.47Å; Y356-S370 PolarHBondContact OH-O 2.93Å; Y356-S370 PolarHBondContact OH-OG 3.23Å; Y356-S370 VanDerWaalsContact OH-OG 3.13Å; S370-T392 VanDerWaalsContact OG-CA 3.27Å; S370-T392 WeakPolarHBondContact OG-CA 3.4Å; S370-T392 WeakPolarHBondContact OG-CB 3.37Å; S370-G393 PolarHBondContact OG-N 3.37Å
371	G	86	Confident	91.9	Very high	7 Å²	7	29.6 Å²	29.6	7%	0.072	14%	0.135	C	C	.	.			trans	-123	-132.4	174.6	0	0	0	0	0	113.4	D375	G371-D375 WeakPolarHBondContact CA-OD2 3.28Å
372	E	81.1	Confident	91.8	Very high	91 Å²	91	30.7 Å²	30.7	43%	0.425	14%	0.141	S	C	.	.	S	Bend	trans	-70.3	174.1	170.5	-72.1	-71.8	174.3	0	0	111.1	Y374 D375	E372-Y374 HydrophobicContact CB-CD1 3.96Å; E372-Y374 HydrophobicContact CB-CE1 3.43Å; E372-Y374 VanDerWaalsContact CB-CE1 3.43Å; E372-Y374 HydrophobicContact CB-CE2 4.19Å; E372-Y374 HydrophobicContact CG-CE1 4.05Å; E372-Y374 PolarHBondContact O-N 3Å; E372-D375 PolarHBondContact N-OD2 2.88Å; E372-D375 PolarHBondContact O-N 3.27Å
373	N	73.4	Confident	91.6	Very high	160 Å²	160	30.7 Å²	30.7	86%	0.856	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22	-175.4	-72.2	-24.7	0	0	0	115.1
374	Y	74.9	Confident	91.4	Very high	154 Å²	154	35.4 Å²	35.4	60%	0.604	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-14.6	178.4	53.4	-97	0	0	0	113.3	E372	E372-Y374 HydrophobicContact CB-CD1 3.96Å; E372-Y374 HydrophobicContact CB-CE1 3.43Å; E372-Y374 VanDerWaalsContact CB-CE1 3.43Å; E372-Y374 HydrophobicContact CB-CE2 4.19Å; E372-Y374 HydrophobicContact CG-CE1 4.05Å; E372-Y374 PolarHBondContact O-N 3Å
375	D	80.9	Confident	91.3	Very high	16 Å²	16	39.8 Å²	39.8	9%	0.086	18%	0.179	C	C	.	.	S	Bend	trans	-76.8	143.2	176.9	-66.6	-60.3	0	0	0	109.7	A348 S350 G371 E372	A348-D375 HydrophobicContact CB-CB 4.39Å; S350-D375 PolarHBondContact OG-OD1 3.37Å; G371-D375 WeakPolarHBondContact CA-OD2 3.28Å; E372-D375 PolarHBondContact N-OD2 2.88Å; E372-D375 PolarHBondContact O-N 3.27Å
376	R	87.6	Confident	91.1	Very high	105 Å²	105	47.2 Å²	47.2	40%	0.396	21%	0.207	S	C	.	.			trans	-65.2	151.8	173.4	-65.8	-174.2	-81.4	-175.3	-2.1	110.5	W144 E349	W144-R376 HydrophobicContact CD2-CB 4.25Å; W144-R376 HydrophobicContact CG-CB 4.1Å; W144-R376 HydrophobicContact CZ2-CB 4.47Å; W144-R376 VanDerWaalsContact NE1-CB 3.33Å; E349-R376 VanDerWaalsContact CD-NE 3.33Å; E349-R376 IonicContact OE1-CZ 3.39Å; E349-R376 VanDerWaalsContact OE1-CZ 3.24Å; E349-R376 IonicContact OE1-NE 3.91Å; E349-R376 PolarHBondContact OE1-NE 3.47Å; E349-R376 VanDerWaalsContact OE1-NE 3.11Å; E349-R376 IonicContact OE1-NH2 2.84Å; E349-R376 PolarHBondContact OE1-NH2 3.44Å; E349-R376 WeakPolarHBondContact OE2-CB 3.49Å; E349-R376 WeakPolarHBondContact OE2-CG 3.45Å; E349-R376 IonicContact OE2-CZ 3.7Å; E349-R376 IonicContact OE2-NE 3.8Å; E349-R376 PolarHBondContact OE2-NE 3.23Å; E349-R376 IonicContact OE2-NH2 3.87Å
377	K	91.6	Very high	91	Very high	51 Å²	51	49.8 Å²	49.8	22%	0.222	22%	0.224	C	C	.	.			trans	-106.7	176.5	179.8	-65.6	174.6	-175.7	170.7	0	110.1	W144 D389 T392	W144-K377 PolarHBondContact NE1-O 2.77Å; K377-D389 WeakPolarHBondContact CB-O 3.48Å; K377-T392 HydrophobicContact CD-CG2 3.74Å; K377-T392 HydrophobicContact CG-CG2 4.06Å
378	I	94.1	Very high	90.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.5	179	-54.9	-54.4	0	0	0	110.2	W144 Y145 E228 D389 S390 H391 A396 M400	W144-I378 HydrophobicContact CZ2-CD1 4.02Å; Y145-I378 HydrophobicContact CD1-CD1 3.56Å; Y145-I378 HydrophobicContact CE1-CB 4.49Å; Y145-I378 HydrophobicContact CE1-CD1 3.87Å; Y145-I378 HydrophobicContact CE1-CG2 3.95Å; Y145-I378 HydrophobicContact CG-CD1 4.09Å; E228-I378 HydrophobicContact CG-CG2 4.06Å; E228-I378 WeakPolarHBondContact OE2-CG2 3.29Å; I378-D389 CarbonylContact O-C 3.57Å; I378-S390 PolarHBondContact O-N 3.05Å; I378-H391 HydrophobicContact CB-CB 4.23Å; I378-H391 PolarHBondContact N-O 2.92Å; I378-H391 PolarHBondContact O-N 2.85Å; I378-A396 HydrophobicContact CB-CB 4.16Å; I378-A396 HydrophobicContact CG1-CB 3.76Å; I378-M400 HydrophobicContact CD1-CE 3.66Å; I378-M400 HydrophobicContact CD1-SD 4.41Å; I378-M400 HydrophobicContact CG1-CE 3.89Å
379	I	94.9	Very high	90.6	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.6	-179.9	-57.7	149.5	0	0	0	107.5	K139 S142 Y145 I239 T388 D389	K139-I379 HydrophobicContact CB-CG2 3.85Å; K139-I379 HydrophobicContact CG-CG2 4.07Å; S142-I379 VanDerWaalsContact C-CD1 3.46Å; S142-I379 VanDerWaalsContact CB-CD1 3.45Å; S142-I379 WeakPolarHBondContact O-CD1 3.13Å; Y145-I379 PolarHBondContact OH-O 3Å; I239-I379 HydrophobicContact CG2-CB 4.47Å; I239-I379 HydrophobicContact CG2-CG2 3.72Å; I379-T388 CarbonylContact C-O 3.45Å; I379-T388 WeakPolarHBondContact CA-O 3.31Å; I379-T388 WeakPolarHBondContact CG2-O 3.49Å; I379-D389 HydrophobicContact CG1-CB 4Å
380	T	97.8	Very high	90.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	178.9	-176.5	-173.4	0	0	0	0	111.4	R224 G227 E228 T388 H391	R224-T380 HydrophobicContact CB-CG2 3.69Å; R224-T380 HydrophobicContact CG-CG2 4.06Å; R224-T380 WeakPolarHBondContact O-CG2 3.48Å; R224-T380 PolarHBondContact O-OG1 2.85Å; G227-T380 WeakPolarHBondContact CA-OG1 3.39Å; E228-T380 HydrophobicContact CG-CG2 4.24Å; E228-T380 PolarHBondContact N-OG1 3.39Å; T380-T388 HydrophobicContact CG2-CG2 3.84Å; T380-T388 PolarHBondContact N-O 3.38Å; T380-T388 PolarHBondContact O-N 3.42Å; T380-H391 HydrophobicContact CG2-CB 3.99Å
381	T	97.4	Very high	90.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	152.2	170.9	52.2	0	0	0	0	111.2	H187 D189 L190 T223 R224 G227 A231 C238 I239 R386	H187-T381 WeakPolarHBondContact CE1-CG2 3.32Å; D189-T381 HydrophobicContact CB-CG2 3.71Å; L190-T381 HydrophobicContact CD2-CG2 4.45Å; L190-T381 HydrophobicContact CG-CG2 4.37Å; T223-T381 PolarHBondContact O-OG1 2.96Å; R224-T381 VanDerWaalsContact CA-O 3.3Å; R224-T381 WeakPolarHBondContact CA-O 3.46Å; R224-T381 WeakPolarHBondContact CG-O 3.09Å; G227-T381 WeakPolarHBondContact CA-OG1 3.35Å; G227-T381 PolarHBondContact N-OG1 2.86Å; A231-T381 HydrophobicContact CB-CG2 4.32Å; C238-T381 HydrophobicContact CB-CG2 4.32Å; I239-T381 HydrophobicContact CG1-CG2 4.48Å; T381-R386 CarbonylContact C-O 3.47Å
382	D	97.1	Very high	90.7	Very high	23 Å²	23	55.3 Å²	55.3	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	157.6	-179.8	-158.4	10.8	0	0	0	110.5	H187 R224 R386 T388	H187-D382 PolarHBondContact CD2-O 3.47Å; R224-D382 IonicContact CZ-OD1 3.58Å; R224-D382 IonicContact CZ-OD2 3.69Å; R224-D382 IonicContact NE-OD1 3.94Å; R224-D382 PolarHBondContact NE-OD1 2.96Å; R224-D382 IonicContact NE-OD2 3.65Å; R224-D382 VanDerWaalsContact NH2-CG 3.32Å; R224-D382 IonicContact NH2-OD1 2.9Å; R224-D382 PolarHBondContact NH2-OD1 3.04Å; R224-D382 IonicContact NH2-OD2 2.75Å; R224-D382 PolarHBondContact NH2-OD2 2.89Å; D382-R386 HydrophobicContact CB-CB 4.09Å; D382-R386 PolarHBondContact N-O 2.89Å; D382-R386 PolarHBondContact O-N 2.88Å; D382-T388 HydrophobicContact CB-CG2 4.13Å
383	L	93.6	Very high	91.2	Very high	3 Å²	3	51 Å²	51	2%	0.016	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	146.4	-178.7	-166.2	67.4	0	0	0	111.2	E184 P211 Y213 N217 K220	E184-L383 HydrophobicContact CB-CD1 4.38Å; P211-L383 HydrophobicContact CB-CD1 3.83Å; P211-L383 HydrophobicContact CG-CD1 3.79Å; Y213-L383 HydrophobicContact CD1-CD1 4.09Å; Y213-L383 HydrophobicContact CD1-CD2 3.91Å; Y213-L383 HydrophobicContact CD1-CG 3.85Å; Y213-L383 HydrophobicContact CE1-CD1 3.62Å; Y213-L383 HydrophobicContact CE1-CD2 4.25Å; Y213-L383 HydrophobicContact CE1-CG 3.67Å; N217-L383 HydrophobicContact CB-CD2 4.25Å; K220-L383 HydrophobicContact CB-CB 3.69Å; K220-L383 HydrophobicContact CB-CD2 4.3Å
384	R	94.9	Very high	92.1	Very high	98 Å²	98	43.3 Å²	43.3	37%	0.37	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	37.8	-176.9	-47.1	172.4	178	-85.8	0.2	113.1	E184 Y213 D214 N217 R386	E184-R384 VanDerWaalsContact OE1-CA 3.29Å; E184-R384 WeakPolarHBondContact OE1-CA 3.41Å; E184-R384 PolarHBondContact OE1-N 2.88Å; E184-R384 PolarHBondContact OE2-N 3.07Å; Y213-R384 HydrophobicContact CD1-CG 3.81Å; Y213-R384 HydrophobicContact CE1-CG 3.74Å; D214-R384 PolarHBondContact O-NH2 3.04Å; N217-R384 PolarHBondContact OD1-NE 2.5Å; N217-R384 PolarHBondContact OD1-NH2 3.41Å; R384-R386 VanDerWaalsContact C-N 3.27Å; R384-R386 WeakPolarHBondContact O-CG 3.43Å; R384-R386 PolarHBondContact O-N 2.84Å
385	H	95.1	Very high	92.9	Very high	97 Å²	97	36 Å²	36	45%	0.449	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	36.1	177.5	-49.5	154.7	0	0	0	112.8	E184 T186 P188	E184-H385 VanDerWaalsContact CD-CD2 3.49Å; E184-H385 IonicContact OE1-CD2 3.33Å; E184-H385 IonicContact OE2-CD2 3.94Å; E184-H385 PolarHBondContact OE2-CD2 2.94Å; E184-H385 PolarHBondContact OE2-N 3.21Å; T186-H385 PolarHBondContact O-NE2 3.08Å; T186-H385 PolarHBondContact OG1-NE2 2.78Å; T186-H385 VanDerWaalsContact OG1-NE2 3.1Å; P188-H385 HydrophobicContact CG-CB 4.38Å
386	R	95.3	Very high	93.6	Very high	156 Å²	156	35.2 Å²	35.2	59%	0.589	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	172.9	-174.4	-72.8	-175.6	-177.8	-167.4	-0.3	111.7	H187 T381 D382 R384	H187-R386 PolarHBondContact NE2-O 2.91Å; T381-R386 CarbonylContact C-O 3.47Å; D382-R386 HydrophobicContact CB-CB 4.09Å; D382-R386 PolarHBondContact N-O 2.89Å; D382-R386 PolarHBondContact O-N 2.88Å; R384-R386 VanDerWaalsContact C-N 3.27Å; R384-R386 WeakPolarHBondContact O-CG 3.43Å; R384-R386 PolarHBondContact O-N 2.84Å
387	C	94.9	Very high	94.1	Very high	53 Å²	53	30.2 Å²	30.2	36%	0.358	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.9	167.9	-66	0	0	0	0	110	C238	C238-C387 WeakPolarHBondContact CA-SG 3.35Å; C238-C387 HydrophobicContact CB-CB 4.33Å; C238-C387 WeakPolarHBondContact CB-SG 3.4Å; C238-C387 WeakPolarHBondContact SG-CA 3.28Å; C238-C387 WeakPolarHBondContact SG-CB 3.38Å; C238-C387 CovalentContact SG-SG 2.01Å; C238-C387 PolarHBondContact SG-SG 3.03Å
388	T	94.3	Very high	94.4	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.043	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.6	170.6	-167.2	0	0	0	0	109.9	R224 I379 T380 D382 S390 H391	R224-T388 HydrophobicContact CG-CG2 4.09Å; R224-T388 PolarHBondContact NH2-OG1 3.33Å; R224-T388 VanDerWaalsContact NH2-OG1 3.16Å; I379-T388 CarbonylContact C-O 3.45Å; I379-T388 WeakPolarHBondContact CA-O 3.31Å; I379-T388 WeakPolarHBondContact CG2-O 3.49Å; T380-T388 HydrophobicContact CG2-CG2 3.84Å; T380-T388 PolarHBondContact N-O 3.38Å; T380-T388 PolarHBondContact O-N 3.42Å; D382-T388 HydrophobicContact CB-CG2 4.13Å; T388-S390 PolarHBondContact OG1-N 2.84Å; T388-S390 PolarHBondContact OG1-OG 3.12Å; T388-S390 VanDerWaalsContact OG1-OG 3.07Å; T388-H391 HydrophobicContact CG2-CB 4.33Å
389	D	91.4	Very high	94.6	Very high	103 Å²	103	27.8 Å²	27.8	55%	0.551	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110	14.9	170.8	58.4	0.3	0	0	0	111.6	K377 I378 I379	K377-D389 WeakPolarHBondContact CB-O 3.48Å; I378-D389 CarbonylContact O-C 3.57Å; I379-D389 HydrophobicContact CG1-CB 4Å
390	S	90	Very high	94.8	Very high	27 Å²	27	27.2 Å²	27.2	19%	0.189	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	34.3	-167.1	49.5	0	0	0	0	112.9	I378 T388	I378-S390 PolarHBondContact O-N 3.05Å; T388-S390 PolarHBondContact OG1-N 2.84Å; T388-S390 PolarHBondContact OG1-OG 3.12Å; T388-S390 VanDerWaalsContact OG1-OG 3.07Å
391	H	93.3	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	141.1	164	-168.4	38.9	0	0	0	110.4	D111 H221 E228 I378 T380 T388 A396	D111-H391 IonicContact OD1-CE1 3.42Å; D111-H391 IonicContact OD1-ND1 2.81Å; H221-H391 AromaticContact CD2-CE1 3.76Å; H221-H391 AromaticContact NE2-CE1 3.9Å; E228-H391 IonicContact OE1-CD2 2.62Å; E228-H391 PolarHBondContact OE1-CD2 2.86Å; E228-H391 IonicContact OE1-NE2 3.11Å; E228-H391 PolarHBondContact OE1-NE2 2.95Å; I378-H391 HydrophobicContact CB-CB 4.23Å; I378-H391 PolarHBondContact N-O 2.92Å; I378-H391 PolarHBondContact O-N 2.85Å; T380-H391 HydrophobicContact CG2-CB 3.99Å; T388-H391 HydrophobicContact CG2-CB 4.33Å; H391-A396 VanDerWaalsContact CD2-CB 3.46Å; H391-A396 WeakPolarHBondContact CD2-CB 3.35Å
392	T	91.8	Very high	94.9	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.025	13%	0.129	C	C	.	.			trans	-151.3	167.2	-161.9	58.4	0	0	0	0	111	Y112 S370 K377	Y112-T392 WeakPolarHBondContact CB-OG1 3.25Å; Y112-T392 PolarHBondContact O-OG1 2.9Å; S370-T392 VanDerWaalsContact OG-CA 3.27Å; S370-T392 WeakPolarHBondContact OG-CA 3.4Å; S370-T392 WeakPolarHBondContact OG-CB 3.37Å; K377-T392 HydrophobicContact CD-CG2 3.74Å; K377-T392 HydrophobicContact CG-CG2 4.06Å
393	G	91.4	Very high	95	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	86.8	172.1	177.2	0	0	0	0	0	113.6	Y356 S369 S370 S395 A396	Y356-G393 VanDerWaalsContact CE2-CA 3.44Å; S369-G393 PolarHBondContact OG-N 2.96Å; S369-G393 PolarHBondContact OG-O 3.22Å; S370-G393 PolarHBondContact OG-N 3.37Å; G393-S395 PolarHBondContact O-N 3.4Å; G393-S395 VanDerWaalsContact O-N 3.09Å; G393-A396 PolarHBondContact O-N 2.8Å; G393-A396 VanDerWaalsContact O-N 3.16Å
394	T	92.4	Very high	95.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-17.1	172.8	52.9	0	0	0	0	113.3	A319 G321 N322 S346 Y356 L357 A396 S397 A398	A319-T394 WeakPolarHBondContact CB-O 3.33Å; G321-T394 PolarHBondContact N-OG1 2.98Å; G321-T394 WeakPolarHBondContact O-CG2 3.36Å; G321-T394 PolarHBondContact O-OG1 3.32Å; N322-T394 PolarHBondContact OD1-N 3.24Å; N322-T394 PolarHBondContact OD1-OG1 2.8Å; S346-T394 VanDerWaalsContact OG-CA 3.23Å; S346-T394 WeakPolarHBondContact OG-CA 3.33Å; S346-T394 WeakPolarHBondContact OG-CG2 3.49Å; Y356-T394 HydrophobicContact CD2-CG2 4.29Å; Y356-T394 HydrophobicContact CE2-CG2 4.1Å; L357-T394 HydrophobicContact CD1-CG2 3.86Å; T394-A396 VanDerWaalsContact C-N 3.29Å; T394-A396 PolarHBondContact O-N 3Å; T394-S397 WeakPolarHBondContact O-CB 3.13Å; T394-S397 PolarHBondContact O-N 2.79Å; T394-S397 VanDerWaalsContact O-N 3.09Å; T394-A398 PolarHBondContact O-N 3.45Å
395	S	91.2	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-25.2	174.2	-55.7	0	0	0	0	116	R110 H221 S280 G393 P399	R110-S395 WeakPolarHBondContact CA-OG 3.45Å; R110-S395 WeakPolarHBondContact CB-OG 3.23Å; R110-S395 WeakPolarHBondContact O-CB 3.29Å; R110-S395 PolarHBondContact O-OG 3.2Å; H221-S395 WeakPolarHBondContact NE2-CB 3.39Å; H221-S395 PolarHBondContact NE2-OG 3.22Å; S280-S395 WeakPolarHBondContact CB-OG 3.4Å; S280-S395 WeakPolarHBondContact OG-CA 3.48Å; S280-S395 PolarHBondContact OG-O 2.84Å; G393-S395 PolarHBondContact O-N 3.4Å; G393-S395 VanDerWaalsContact O-N 3.09Å; S395-P399 WeakPolarHBondContact O-CD 3.44Å; S395-P399 WeakPolarHBondContact O-CG 3.42Å
396	A	95.1	Very high	95.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-81.3	-27.7	172.7	0	0	0	0	0	110.6	E228 I378 H391 G393 T394 P399 M400	E228-A396 WeakPolarHBondContact OE2-CA 3.43Å; E228-A396 WeakPolarHBondContact OE2-CB 3.46Å; I378-A396 HydrophobicContact CB-CB 4.16Å; I378-A396 HydrophobicContact CG1-CB 3.76Å; H391-A396 VanDerWaalsContact CD2-CB 3.46Å; H391-A396 WeakPolarHBondContact CD2-CB 3.35Å; G393-A396 PolarHBondContact O-N 2.8Å; G393-A396 VanDerWaalsContact O-N 3.16Å; T394-A396 VanDerWaalsContact C-N 3.29Å; T394-A396 PolarHBondContact O-N 3Å; A396-P399 WeakPolarHBondContact O-CD 3.1Å; A396-M400 HydrophobicContact CB-CE 4.4Å; A396-M400 WeakPolarHBondContact O-CE 3.29Å
397	S	97.9	Very high	95.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-70.5	-42.5	180	-66	0	0	0	0	113.4	S345 S346 T367 Y368 S369 T394 M400 A401	S345-S397 WeakPolarHBondContact O-CB 3.17Å; S345-S397 PolarHBondContact O-OG 3.13Å; S346-S397 WeakPolarHBondContact CB-OG 3.35Å; S346-S397 WeakPolarHBondContact OG-CB 3.09Å; S346-S397 PolarHBondContact OG-OG 3.37Å; T367-S397 PolarHBondContact O-OG 3.12Å; T367-S397 VanDerWaalsContact OG1-C 3.23Å; T367-S397 WeakPolarHBondContact OG1-CA 2.97Å; T367-S397 WeakPolarHBondContact OG1-CB 3.33Å; T367-S397 PolarHBondContact OG1-O 2.94Å; Y368-S397 PolarHBondContact O-OG 2.8Å; S369-S397 WeakPolarHBondContact CB-OG 3.48Å; T394-S397 WeakPolarHBondContact O-CB 3.13Å; T394-S397 PolarHBondContact O-N 2.79Å; T394-S397 VanDerWaalsContact O-N 3.09Å; S397-M400 PolarHBondContact O-N 3.27Å; S397-A401 PolarHBondContact O-N 3.33Å
398	A	98.4	Very high	96	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.7	-45.4	-178.1	0	0	0	0	0	114.2	V317 A319 I344 T394 M400 A401 A402	V317-A398 HydrophobicContact CG1-CB 4.23Å; V317-A398 WeakPolarHBondContact CG1-O 3.31Å; A319-A398 HydrophobicContact CB-CB 4.05Å; I344-A398 HydrophobicContact CB-CB 4.47Å; T394-A398 PolarHBondContact O-N 3.45Å; A398-M400 VanDerWaalsContact C-N 3.35Å; A398-M400 PolarHBondContact O-N 3.43Å; A398-A401 WeakPolarHBondContact O-CB 3.3Å; A398-A401 PolarHBondContact O-N 2.91Å; A398-A402 PolarHBondContact O-N 3.32Å
399	P	98.6	Very high	96.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.7	-41.2	173.2	-24.6	33.8	0	0	0	112.9	C225 E228 V229 S395 A396 A401 A402 A403	C225-P399 HydrophobicContact CB-CB 4.18Å; C225-P399 HydrophobicContact CB-CG 3.51Å; C225-P399 WeakPolarHBondContact O-CB 3.47Å; E228-P399 HydrophobicContact CB-CB 4.05Å; V229-P399 HydrophobicContact CG2-CB 3.87Å; V229-P399 WeakPolarHBondContact CG2-O 3.4Å; S395-P399 WeakPolarHBondContact O-CD 3.44Å; S395-P399 WeakPolarHBondContact O-CG 3.42Å; A396-P399 WeakPolarHBondContact O-CD 3.1Å; P399-A401 VanDerWaalsContact C-N 3.33Å; P399-A401 PolarHBondContact O-N 2.87Å; P399-A402 WeakPolarHBondContact O-CB 3.38Å; P399-A402 PolarHBondContact O-N 3.43Å; P399-A403 WeakPolarHBondContact O-CB 3.3Å; P399-A403 PolarHBondContact O-N 2.79Å
400	M	98.6	Very high	96.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61.4	-42.3	175.3	-73.5	-170.4	-92.2	0	0	112.2	Y145 M159 E228 I242 T367 Y368 I378 A396 S397 A398 A403 I404	Y145-M400 HydrophobicContact CD2-SD 3.86Å; Y145-M400 HydrophobicContact CE2-SD 4.29Å; Y145-M400 HydrophobicContact CG-SD 4.32Å; M159-M400 HydrophobicContact CE-SD 3.96Å; E228-M400 HydrophobicContact CB-CG 4.48Å; I242-M400 HydrophobicContact CD1-CB 3.77Å; I242-M400 HydrophobicContact CD1-CG 3.6Å; I242-M400 HydrophobicContact CD1-SD 4.25Å; T367-M400 HydrophobicContact CG2-CB 4.42Å; Y368-M400 WeakPolarHBondContact O-CE 3.32Å; I378-M400 HydrophobicContact CD1-CE 3.66Å; I378-M400 HydrophobicContact CD1-SD 4.41Å; I378-M400 HydrophobicContact CG1-CE 3.89Å; A396-M400 HydrophobicContact CB-CE 4.4Å; A396-M400 WeakPolarHBondContact O-CE 3.29Å; S397-M400 PolarHBondContact O-N 3.27Å; A398-M400 VanDerWaalsContact C-N 3.35Å; A398-M400 PolarHBondContact O-N 3.43Å; M400-A403 PolarHBondContact O-N 3.4Å; M400-I404 WeakPolarHBondContact O-CG1 3.12Å; M400-I404 PolarHBondContact O-N 2.97Å
401	A	98.8	Very high	96.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.7	-43	174.8	0	0	0	0	0	112.1	V317 I344 T367 S397 A398 P399 A403 I404 I405 M456	V317-A401 HydrophobicContact CG1-CB 4.04Å; I344-A401 HydrophobicContact CB-CB 4.41Å; I344-A401 HydrophobicContact CD1-CB 3.5Å; I344-A401 VanDerWaalsContact CD1-CB 3.5Å; I344-A401 HydrophobicContact CG1-CB 3.6Å; I344-A401 HydrophobicContact CG2-CB 3.96Å; T367-A401 HydrophobicContact CG2-CB 3.95Å; S397-A401 PolarHBondContact O-N 3.33Å; A398-A401 WeakPolarHBondContact O-CB 3.3Å; A398-A401 PolarHBondContact O-N 2.91Å; P399-A401 VanDerWaalsContact C-N 3.33Å; P399-A401 PolarHBondContact O-N 2.87Å; A401-A403 VanDerWaalsContact C-N 3.26Å; A401-A403 PolarHBondContact O-N 2.72Å; A401-I404 PolarHBondContact O-N 3.29Å; A401-I405 WeakPolarHBondContact O-CB 3.33Å; A401-I405 WeakPolarHBondContact O-CD1 3.45Å; A401-I405 VanDerWaalsContact O-CG1 3.24Å; A401-I405 WeakPolarHBondContact O-CG1 3.03Å; A401-I405 PolarHBondContact O-N 3.12Å; A401-M456 HydrophobicContact CB-CE 4.22Å; A401-M456 HydrophobicContact CB-SD 3.42Å; A401-M456 WeakPolarHBondContact CB-SD 2.82Å
402	A	98.9	Very high	97.1	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-58.3	-39.7	175.1	0	0	0	0	0	111.7	V176 I276 V317 A398 P399 I405 A406	V176-A402 HydrophobicContact CG1-CB 4.47Å; I276-A402 WeakPolarHBondContact CD1-O 3.39Å; I276-A402 HydrophobicContact CG2-CB 3.84Å; V317-A402 HydrophobicContact CB-CB 4.26Å; V317-A402 HydrophobicContact CG1-CB 4.39Å; V317-A402 HydrophobicContact CG2-CB 4.11Å; A398-A402 PolarHBondContact O-N 3.32Å; P399-A402 WeakPolarHBondContact O-CB 3.38Å; P399-A402 PolarHBondContact O-N 3.43Å; A402-I405 PolarHBondContact O-N 3.36Å; A402-A406 PolarHBondContact O-N 3.49Å
403	A	98.9	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-69.1	-43.1	177.2	0	0	0	0	0	112.7	V229 I242 A243 P399 M400 A401 I405 A406 L407	V229-A403 HydrophobicContact CB-CB 4.31Å; V229-A403 HydrophobicContact CG1-CB 4.05Å; V229-A403 HydrophobicContact CG2-CB 4.39Å; I242-A403 HydrophobicContact CB-CB 3.5Å; I242-A403 VanDerWaalsContact CB-CB 3.5Å; I242-A403 HydrophobicContact CD1-CB 4.44Å; I242-A403 HydrophobicContact CG1-CB 4.5Å; I242-A403 HydrophobicContact CG2-CB 3.61Å; A243-A403 HydrophobicContact CB-CB 4.09Å; P399-A403 WeakPolarHBondContact O-CB 3.3Å; P399-A403 PolarHBondContact O-N 2.79Å; M400-A403 PolarHBondContact O-N 3.4Å; A401-A403 VanDerWaalsContact C-N 3.26Å; A401-A403 PolarHBondContact O-N 2.72Å; A403-I405 VanDerWaalsContact C-N 3.29Å; A403-I405 PolarHBondContact O-N 2.63Å; A403-A406 WeakPolarHBondContact O-CA 3.42Å; A403-A406 VanDerWaalsContact O-CB 3.29Å; A403-A406 WeakPolarHBondContact O-CB 3.5Å; A403-A406 PolarHBondContact O-N 2.02Å; A403-L407 WeakPolarHBondContact O-CG 3.48Å; A403-L407 PolarHBondContact O-N 3.48Å; A403-L407 VanDerWaalsContact O-N 3.09Å
404	I	98.9	Very high	97.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-39.8	174.4	-66.4	171.7	0	0	0	110.8	M159 I242 T367 M400 A401 A406 L407 A408 M456 A458 M461	M159-I404 HydrophobicContact SD-CD1 4.41Å; I242-I404 HydrophobicContact CG2-CG1 4.06Å; T367-I404 HydrophobicContact CG2-CD1 4.42Å; M400-I404 WeakPolarHBondContact O-CG1 3.12Å; M400-I404 PolarHBondContact O-N 2.97Å; A401-I404 PolarHBondContact O-N 3.29Å; I404-A406 VanDerWaalsContact C-N 3.29Å; I404-A406 PolarHBondContact O-N 3.36Å; I404-L407 WeakPolarHBondContact O-CB 3.22Å; I404-L407 PolarHBondContact O-N 3.04Å; I404-A408 PolarHBondContact O-N 3.35Å; I404-M456 HydrophobicContact CB-CE 3.97Å; I404-M456 HydrophobicContact CD1-CB 3.96Å; I404-M456 HydrophobicContact CG2-CE 3.79Å; I404-A458 HydrophobicContact CG1-CB 4.15Å; I404-A458 HydrophobicContact CG2-CB 3.86Å; I404-M461 HydrophobicContact CG2-CE 4.25Å; I404-M461 HydrophobicContact CG2-SD 3.53Å; I404-M461 VanDerWaalsContact CG2-SD 3.53Å
405	I	98.9	Very high	98	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.1	-38	173.4	-67.6	162.6	0	0	0	110.6	I276 V315 V317 I342 A401 A402 A403 L407 A408 L409 V420 I424 M456 M461	I276-I405 HydrophobicContact CD1-CB 4.06Å; I276-I405 HydrophobicContact CD1-CG2 3.68Å; I276-I405 HydrophobicContact CG1-CG2 4.31Å; V315-I405 HydrophobicContact CG1-CD1 4.44Å; V315-I405 HydrophobicContact CG1-CG2 4.22Å; V317-I405 HydrophobicContact CG2-CD1 3.68Å; I342-I405 HydrophobicContact CD1-CD1 3.9Å; A401-I405 WeakPolarHBondContact O-CB 3.33Å; A401-I405 WeakPolarHBondContact O-CD1 3.45Å; A401-I405 VanDerWaalsContact O-CG1 3.24Å; A401-I405 WeakPolarHBondContact O-CG1 3.03Å; A401-I405 PolarHBondContact O-N 3.12Å; A402-I405 PolarHBondContact O-N 3.36Å; A403-I405 VanDerWaalsContact C-N 3.29Å; A403-I405 PolarHBondContact O-N 2.63Å; I405-L407 VanDerWaalsContact C-N 3.31Å; I405-L407 PolarHBondContact O-N 3.15Å; I405-A408 PolarHBondContact O-N 3.41Å; I405-A408 VanDerWaalsContact O-N 3.11Å; I405-L409 HydrophobicContact CG2-CD1 4.29Å; I405-L409 HydrophobicContact CG2-CG 4.17Å; I405-L409 WeakPolarHBondContact O-CG 3.27Å; I405-L409 PolarHBondContact O-N 3.38Å; I405-V420 HydrophobicContact CD1-CG1 4.11Å; I405-V420 HydrophobicContact CG1-CG1 3.95Å; I405-V420 HydrophobicContact CG2-CG1 3.73Å; I405-V420 HydrophobicContact CG2-CG2 4.44Å; I405-I424 HydrophobicContact CD1-CD1 4.06Å; I405-I424 HydrophobicContact CG1-CD1 4.27Å; I405-M456 HydrophobicContact CG1-CE 4.08Å; I405-M461 HydrophobicContact CG1-CE 4.17Å
406	A	98.9	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-40	175.2	0	0	0	0	0	112	V174 V176 A243 I276 A402 A403 I404 A408 L409 E410	V174-A406 HydrophobicContact CB-CB 4.24Å; V174-A406 HydrophobicContact CG1-CB 3.82Å; V174-A406 WeakPolarHBondContact CG2-O 3.4Å; V176-A406 HydrophobicContact CG2-CB 4.21Å; A243-A406 HydrophobicContact CB-CB 3.96Å; I276-A406 HydrophobicContact CD1-CB 3.83Å; A402-A406 PolarHBondContact O-N 3.49Å; A403-A406 WeakPolarHBondContact O-CA 3.42Å; A403-A406 VanDerWaalsContact O-CB 3.29Å; A403-A406 WeakPolarHBondContact O-CB 3.5Å; A403-A406 PolarHBondContact O-N 2.02Å; I404-A406 VanDerWaalsContact C-N 3.29Å; I404-A406 PolarHBondContact O-N 3.36Å; A406-A408 VanDerWaalsContact C-N 3.32Å; A406-A408 PolarHBondContact O-N 3.18Å; A406-L409 PolarHBondContact O-N 2.9Å; A406-E410 PolarHBondContact O-N 2.73Å
407	L	98.8	Very high	98.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.5	-41.5	173.2	-54.2	-178.5	0	0	0	111.7	A164 T170 G171 I242 A243 A403 I404 I405 E410 A411 A458 V462	A164-L407 HydrophobicContact CB-CD1 3.8Å; T170-L407 VanDerWaalsContact C-CD2 3.46Å; G171-L407 VanDerWaalsContact N-CD2 3.3Å; I242-L407 HydrophobicContact CG2-CD1 4.06Å; A243-L407 HydrophobicContact CB-CD2 4.18Å; A403-L407 WeakPolarHBondContact O-CG 3.48Å; A403-L407 PolarHBondContact O-N 3.48Å; A403-L407 VanDerWaalsContact O-N 3.09Å; I404-L407 WeakPolarHBondContact O-CB 3.22Å; I404-L407 PolarHBondContact O-N 3.04Å; I405-L407 VanDerWaalsContact C-N 3.31Å; I405-L407 PolarHBondContact O-N 3.15Å; L407-E410 PolarHBondContact O-N 3.41Å; L407-A411 PolarHBondContact O-N 2.77Å; L407-A458 HydrophobicContact CD1-CB 4.28Å; L407-V462 HydrophobicContact CB-CG2 3.78Å
408	A	98.8	Very high	98.5	Very high	2 Å²	2	12.7 Å²	12.7	2%	0.017	8%	0.076	C	C	.	.	H	α-helix	trans	-69.7	-35.6	177.5	0	0	0	0	0	112.9	I404 I405 A406 A411 N412 M461 A465	I404-A408 PolarHBondContact O-N 3.35Å; I405-A408 PolarHBondContact O-N 3.41Å; I405-A408 VanDerWaalsContact O-N 3.11Å; A406-A408 VanDerWaalsContact C-N 3.32Å; A406-A408 PolarHBondContact O-N 3.18Å; A408-A411 WeakPolarHBondContact O-CB 3.28Å; A408-A411 PolarHBondContact O-N 2.85Å; A408-N412 PolarHBondContact O-N 3.15Å; A408-M461 HydrophobicContact CB-CB 4.43Å; A408-M461 HydrophobicContact CB-CE 4.36Å; A408-A465 HydrophobicContact CB-CB 4.25Å
409	L	98.8	Very high	98.5	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-71.2	-31.4	175.3	-71.4	-172.4	0	0	0	112.6	V174 D275 I276 V315 I405 A406 A411 N412 P413 L415 V420	V174-L409 HydrophobicContact CG1-CB 4.37Å; V174-L409 HydrophobicContact CG1-CD1 4.33Å; V174-L409 HydrophobicContact CG2-CB 3.95Å; D275-L409 HydrophobicContact CB-CD1 4.03Å; I276-L409 HydrophobicContact CD1-CD1 3.87Å; I276-L409 HydrophobicContact CG1-CD1 3.8Å; V315-L409 HydrophobicContact CG2-CD1 4.48Å; I405-L409 HydrophobicContact CG2-CD1 4.29Å; I405-L409 HydrophobicContact CG2-CG 4.17Å; I405-L409 WeakPolarHBondContact O-CG 3.27Å; I405-L409 PolarHBondContact O-N 3.38Å; A406-L409 PolarHBondContact O-N 2.9Å; L409-A411 VanDerWaalsContact C-N 3.34Å; L409-N412 CarbonylContact O-C 3.59Å; L409-N412 PolarHBondContact O-N 3.33Å; L409-P413 VanDerWaalsContact O-CA 3.26Å; L409-P413 WeakPolarHBondContact O-CA 3.24Å; L409-P413 WeakPolarHBondContact O-CD 3.44Å; L409-P413 WeakPolarHBondContact O-CG 3.38Å; L409-L415 HydrophobicContact CD2-CB 3.9Å; L409-L415 HydrophobicContact CD2-CD1 4.21Å; L409-V420 HydrophobicContact CD2-CG2 3.96Å
410	E	98.6	Very high	98.5	Very high	41 Å²	41	12.8 Å²	12.8	19%	0.192	8%	0.077	C	C	.	.	H	α-helix	trans	-63.7	-43.1	169.3	-178.3	-175	-176.3	0	0	110.5	Y169 T170 G171 K172 V174 A406 L407 N412	Y169-E410 WeakPolarHBondContact CA-OE2 3.33Å; Y169-E410 HydrophobicContact CD1-CB 4.24Å; Y169-E410 HydrophobicContact CD1-CG 3.92Å; T170-E410 PolarHBondContact N-OE2 2.85Å; G171-E410 WeakPolarHBondContact CA-OE2 2.98Å; G171-E410 PolarHBondContact N-OE2 2.93Å; K172-E410 HydrophobicContact CB-CG 4.43Å; K172-E410 VanDerWaalsContact CB-OE1 3.23Å; K172-E410 WeakPolarHBondContact CB-OE1 3.46Å; K172-E410 VanDerWaalsContact N-CD 3.28Å; K172-E410 PolarHBondContact N-OE2 3.36Å; K172-E410 VanDerWaalsContact N-OE2 3.11Å; V174-E410 HydrophobicContact CG2-CB 4.18Å; A406-E410 PolarHBondContact O-N 2.73Å; L407-E410 PolarHBondContact O-N 3.41Å; E410-N412 VanDerWaalsContact C-N 3.3Å; E410-N412 PolarHBondContact O-N 3.4Å
411	A	98.1	Very high	98.6	Very high	19 Å²	19	13 Å²	13	16%	0.157	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-36	176.1	0	0	0	0	0	113.4	Y169 L407 A408 L409 V462 A465 E466	Y169-A411 HydrophobicContact CD1-CB 3.83Å; Y169-A411 HydrophobicContact CE1-CB 3.5Å; Y169-A411 VanDerWaalsContact CE1-CB 3.5Å; Y169-A411 HydrophobicContact CE2-CB 4.45Å; Y169-A411 HydrophobicContact CG-CB 4.44Å; L407-A411 PolarHBondContact O-N 2.77Å; A408-A411 WeakPolarHBondContact O-CB 3.28Å; A408-A411 PolarHBondContact O-N 2.85Å; L409-A411 VanDerWaalsContact C-N 3.34Å; A411-V462 HydrophobicContact CB-CB 4.5Å; A411-V462 HydrophobicContact CB-CG1 3.75Å; A411-A465 HydrophobicContact CB-CB 4.06Å; A411-E466 HydrophobicContact CB-CG 4.25Å
412	N	98.3	Very high	98.6	Very high	21 Å²	21	13 Å²	13	11%	0.112	8%	0.078	C	C	.	.			trans	-146.8	95.6	175.3	-172.5	-12.7	0	0	0	111.8	A408 L409 E410 S414 L415 A465	A408-N412 PolarHBondContact O-N 3.15Å; L409-N412 CarbonylContact O-C 3.59Å; L409-N412 PolarHBondContact O-N 3.33Å; E410-N412 VanDerWaalsContact C-N 3.3Å; E410-N412 PolarHBondContact O-N 3.4Å; N412-S414 PolarHBondContact O-N 2.86Å; N412-S414 VanDerWaalsContact O-N 3.08Å; N412-S414 WeakPolarHBondContact OD1-CB 3.44Å; N412-S414 PolarHBondContact OD1-N 2.95Å; N412-S414 PolarHBondContact OD1-OG 3.23Å; N412-L415 HydrophobicContact CB-CD1 4.05Å; N412-L415 HydrophobicContact CB-CD2 4.33Å; N412-L415 HydrophobicContact CB-CG 3.83Å; N412-L415 VanDerWaalsContact O-CG 3.25Å; N412-L415 WeakPolarHBondContact O-CG 3.29Å; N412-L415 PolarHBondContact O-N 3Å; N412-A465 HydrophobicContact CB-CB 4.21Å; N412-A465 VanDerWaalsContact CB-O 3.27Å; N412-A465 WeakPolarHBondContact CB-O 3.44Å; N412-A465 PolarHBondContact ND2-O 2.94Å
413	P	97	Very high	98.5	Very high	76 Å²	76	13.1 Å²	13.1	49%	0.494	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.1	179.2	-23.1	33.9	0	0	0	114.1	R309 R312 L409	R309-P413 PolarHBondContact NH2-O 3.38Å; R312-P413 VanDerWaalsContact CD-O 3.3Å; R312-P413 WeakPolarHBondContact CD-O 3.35Å; R312-P413 PolarHBondContact NE-O 3.27Å; R312-P413 PolarHBondContact NH1-O 3.1Å; L409-P413 VanDerWaalsContact O-CA 3.26Å; L409-P413 WeakPolarHBondContact O-CA 3.24Å; L409-P413 WeakPolarHBondContact O-CD 3.44Å; L409-P413 WeakPolarHBondContact O-CG 3.38Å
414	S	97.1	Very high	98.5	Very high	57 Å²	57	13.1 Å²	13.1	40%	0.399	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.2	-179.8	78.5	0	0	0	0	114	N412 T416	N412-S414 PolarHBondContact O-N 2.86Å; N412-S414 VanDerWaalsContact O-N 3.08Å; N412-S414 WeakPolarHBondContact OD1-CB 3.44Å; N412-S414 PolarHBondContact OD1-N 2.95Å; N412-S414 PolarHBondContact OD1-OG 3.23Å; S414-T416 PolarHBondContact O-N 3Å
415	L	98.6	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.079	C	C	.	.			trans	-56.2	128.5	179.6	-63.9	174.8	0	0	0	111.5	R309 L409 N412 D419 V420 I423 A465 W468	R309-L415 PolarHBondContact NH1-O 3.14Å; L409-L415 HydrophobicContact CD2-CB 3.9Å; L409-L415 HydrophobicContact CD2-CD1 4.21Å; N412-L415 HydrophobicContact CB-CD1 4.05Å; N412-L415 HydrophobicContact CB-CD2 4.33Å; N412-L415 HydrophobicContact CB-CG 3.83Å; N412-L415 VanDerWaalsContact O-CG 3.25Å; N412-L415 WeakPolarHBondContact O-CG 3.29Å; N412-L415 PolarHBondContact O-N 3Å; L415-D419 HydrophobicContact CB-CB 4.17Å; L415-D419 HydrophobicContact CD2-CB 3.83Å; L415-V420 HydrophobicContact CB-CG2 4.22Å; L415-I423 HydrophobicContact CD1-CD1 3.71Å; L415-I423 HydrophobicContact CD2-CD1 3.67Å; L415-I423 HydrophobicContact CG-CD1 4.35Å; L415-A465 HydrophobicContact CD1-CB 3.93Å; L415-W468 HydrophobicContact CD2-CB 3.83Å; L415-W468 HydrophobicContact CD2-CG 3.7Å
416	T	98.7	Very high	98.4	Very high	14 Å²	14	17.5 Å²	17.5	9%	0.086	10%	0.098	C	C	.	.			trans	-78.5	165.9	170.3	69.4	0	0	0	0	111.6	R312 S414 R418 D419 V420 Q470	R312-T416 CarbonylContact O-C 3.59Å; R312-T416 WeakPolarHBondContact O-CA 3.13Å; R312-T416 VanDerWaalsContact O-CB 3.28Å; R312-T416 WeakPolarHBondContact O-CB 3.11Å; S414-T416 PolarHBondContact O-N 3Å; T416-R418 PolarHBondContact O-N 3.45Å; T416-D419 VanDerWaalsContact CB-OD2 3.28Å; T416-D419 WeakPolarHBondContact CB-OD2 3.46Å; T416-D419 WeakPolarHBondContact CG2-OD2 3Å; T416-D419 PolarHBondContact N-OD2 3.35Å; T416-D419 WeakPolarHBondContact O-CB 3.39Å; T416-D419 PolarHBondContact O-N 3.5Å; T416-D419 VanDerWaalsContact O-N 3.09Å; T416-D419 PolarHBondContact OG1-N 3.44Å; T416-D419 PolarHBondContact OG1-OD2 2.89Å; T416-V420 PolarHBondContact O-N 3.13Å; T416-V420 VanDerWaalsContact O-N 3.1Å; T416-Q470 HydrophobicContact CG2-CG 4.18Å
417	W	98.7	Very high	98.4	Very high	20 Å²	20	18 Å²	18	8%	0.076	10%	0.101	C	C	.	.	H	α-helix	trans	-55.5	-34	175.2	71.8	-85.7	0	0	0	113	I305 R312 I339 Y340 Q421	I305-W417 HydrophobicContact CB-CD2 4.12Å; I305-W417 HydrophobicContact CB-CG 4.14Å; I305-W417 HydrophobicContact CB-CZ2 4.49Å; I305-W417 HydrophobicContact CD1-CZ2 4.03Å; I305-W417 HydrophobicContact CG2-CD2 4.09Å; I305-W417 HydrophobicContact CG2-CE3 4.46Å; I305-W417 HydrophobicContact CG2-CG 4.22Å; I305-W417 PolarHBondContact O-NE1 2.03Å; R312-W417 PolarHBondContact O-N 2.76Å; I339-W417 WeakPolarHBondContact O-CZ3 3.23Å; Y340-W417 HydrophobicContact CD1-CH2 4.28Å; W417-Q421 PolarHBondContact O-N 2.95Å
418	R	98.6	Very high	98.3	Very high	14 Å²	14	18.7 Å²	18.7	5%	0.053	11%	0.105	C	C	.	.	H	α-helix	trans	-73.6	-42.5	174.3	-83.1	166.9	64.3	-125.2	4.4	112.3	T416 V420 Q421 H422 V471 P472 Q474 E515	T416-R418 PolarHBondContact O-N 3.45Å; R418-V420 PolarHBondContact O-N 2.89Å; R418-Q421 WeakPolarHBondContact O-CB 3.39Å; R418-Q421 PolarHBondContact O-N 2.98Å; R418-H422 PolarHBondContact O-CD2 3.12Å; R418-H422 VanDerWaalsContact O-CD2 3.27Å; R418-H422 PolarHBondContact O-N 2.97Å; R418-V471 HydrophobicContact CB-CG2 4.3Å; R418-P472 PolarHBondContact NH1-O 2.9Å; R418-P472 PolarHBondContact NH2-O 2.59Å; R418-Q474 VanDerWaalsContact CZ-CB 3.41Å; R418-E515 IonicContact CZ-OE1 3.22Å; R418-E515 IonicContact CZ-OE2 3.91Å; R418-E515 IonicContact NE-OE1 2.71Å; R418-E515 PolarHBondContact NE-OE1 2.01Å; R418-E515 IonicContact NE-OE2 2.86Å; R418-E515 PolarHBondContact NE-OE2 2.81Å; R418-E515 IonicContact NH2-OE1 3.95Å; R418-E515 PolarHBondContact NH2-OE1 2.79Å; R418-E515 IonicContact NH2-OE2 3.82Å
419	D	98.8	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.7	-41.7	177.6	-66	-50.9	0	0	0	111.4	L415 T416 Q421 H422 I423 W468 Q470 V471	L415-D419 HydrophobicContact CB-CB 4.17Å; L415-D419 HydrophobicContact CD2-CB 3.83Å; T416-D419 VanDerWaalsContact CB-OD2 3.28Å; T416-D419 WeakPolarHBondContact CB-OD2 3.46Å; T416-D419 WeakPolarHBondContact CG2-OD2 3Å; T416-D419 PolarHBondContact N-OD2 3.35Å; T416-D419 WeakPolarHBondContact O-CB 3.39Å; T416-D419 PolarHBondContact O-N 3.5Å; T416-D419 VanDerWaalsContact O-N 3.09Å; T416-D419 PolarHBondContact OG1-N 3.44Å; T416-D419 PolarHBondContact OG1-OD2 2.89Å; D419-Q421 VanDerWaalsContact C-N 3.34Å; D419-Q421 PolarHBondContact O-N 3.28Å; D419-H422 PolarHBondContact O-N 3.32Å; D419-I423 WeakPolarHBondContact O-CG1 3.12Å; D419-I423 PolarHBondContact O-N 3.14Å; D419-W468 VanDerWaalsContact CG-NE1 3.3Å; D419-W468 PolarHBondContact OD1-NE1 3.5Å; D419-Q470 WeakPolarHBondContact OD1-CA 3.19Å; D419-V471 WeakPolarHBondContact OD1-CG2 2.92Å; D419-V471 PolarHBondContact OD1-N 3.43Å
420	V	98.8	Very high	97.8	Very high	2 Å²	2	26 Å²	26	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-58	-46.2	174.7	175	0	0	0	0	111.2	V315 I342 I405 L409 L415 T416 R418 I423 I424	V315-V420 HydrophobicContact CG1-CG1 4.43Å; V315-V420 HydrophobicContact CG2-CG2 4.3Å; I342-V420 HydrophobicContact CD1-CG1 3.75Å; I405-V420 HydrophobicContact CD1-CG1 4.11Å; I405-V420 HydrophobicContact CG1-CG1 3.95Å; I405-V420 HydrophobicContact CG2-CG1 3.73Å; I405-V420 HydrophobicContact CG2-CG2 4.44Å; L409-V420 HydrophobicContact CD2-CG2 3.96Å; L415-V420 HydrophobicContact CB-CG2 4.22Å; T416-V420 PolarHBondContact O-N 3.13Å; T416-V420 VanDerWaalsContact O-N 3.1Å; R418-V420 PolarHBondContact O-N 2.89Å; V420-I423 PolarHBondContact O-N 3.02Å; V420-I424 HydrophobicContact CG1-CD1 3.99Å; V420-I424 VanDerWaalsContact O-CG1 3.27Å; V420-I424 WeakPolarHBondContact O-CG1 3.28Å; V420-I424 PolarHBondContact O-N 2.7Å
421	Q	98.9	Very high	97.1	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.7	-65.3	-173.6	22.4	0	0	112	I339 I342 L364 W417 R418 D419 I423 I424 V425 H516 W569	I339-Q421 PolarHBondContact O-NE2 3.27Å; I339-Q421 VanDerWaalsContact O-NE2 3.15Å; I342-Q421 HydrophobicContact CD1-CG 4.04Å; I342-Q421 HydrophobicContact CG1-CG 3.87Å; L364-Q421 HydrophobicContact CD2-CB 3.95Å; L364-Q421 HydrophobicContact CD2-CG 3.99Å; W417-Q421 PolarHBondContact O-N 2.95Å; R418-Q421 WeakPolarHBondContact O-CB 3.39Å; R418-Q421 PolarHBondContact O-N 2.98Å; D419-Q421 VanDerWaalsContact C-N 3.34Å; D419-Q421 PolarHBondContact O-N 3.28Å; Q421-I423 PolarHBondContact O-N 3.4Å; Q421-I424 WeakPolarHBondContact O-CB 3.31Å; Q421-I424 PolarHBondContact O-N 3.11Å; Q421-V425 VanDerWaalsContact O-CG2 3.28Å; Q421-V425 WeakPolarHBondContact O-CG2 3.3Å; Q421-V425 PolarHBondContact O-N 2.85Å; Q421-H516 PolarHBondContact OE1-CE1 2.61Å; Q421-H516 VanDerWaalsContact OE1-CE1 3.3Å; Q421-H516 PolarHBondContact OE1-NE2 2.59Å; Q421-W569 HydrophobicContact CB-CH2 3.71Å; Q421-W569 HydrophobicContact CB-CZ2 4.25Å
422	H	98.8	Very high	96.7	Very high	2 Å²	2	29 Å²	29	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-42.2	176.3	-84.9	-89	0	0	0	113	R418 D419 V425 K426 W468 V471 E515 W569 Y612	R418-H422 PolarHBondContact O-CD2 3.12Å; R418-H422 VanDerWaalsContact O-CD2 3.27Å; R418-H422 PolarHBondContact O-N 2.97Å; D419-H422 PolarHBondContact O-N 3.32Å; H422-V425 PolarHBondContact O-N 3.15Å; H422-K426 WeakPolarHBondContact O-CB 3.24Å; H422-K426 PolarHBondContact O-N 3.43Å; H422-W468 HydrophobicContact CB-CH2 3.65Å; H422-W468 HydrophobicContact CB-CZ2 3.45Å; H422-W468 VanDerWaalsContact CB-CZ2 3.45Å; H422-V471 HydrophobicContact CB-CG1 4.41Å; H422-E515 IonicContact CE1-OE1 3.48Å; H422-E515 IonicContact NE2-OE1 3.78Å; H422-E515 PolarHBondContact NE2-OE1 3.06Å; H422-E515 VanDerWaalsContact NE2-OE1 3.11Å; H422-W569 AromaticContact CD2-CZ2 3.66Å; H422-W569 AromaticContact CE1-CE2 3.87Å; H422-W569 AromaticContact CE1-CZ2 3.87Å; H422-W569 AromaticContact CE1-NE1 3.31Å; H422-W569 PolarHBondContact CE1-NE1 3.03Å; H422-W569 VanDerWaalsContact CE1-NE1 3.31Å; H422-W569 AromaticContact CG-CZ2 3.86Å; H422-W569 AromaticContact CG-NE1 3.96Å; H422-W569 AromaticContact ND1-CE2 3.94Å; H422-W569 AromaticContact ND1-CZ2 3.99Å; H422-W569 AromaticContact ND1-NE1 3.27Å; H422-W569 PolarHBondContact ND1-NE1 2.99Å; H422-W569 AromaticContact NE2-CZ2 3.67Å; H422-Y612 AromaticContact ND1-CE1 3.79Å; H422-Y612 AromaticContact ND1-CZ 3.69Å; H422-Y612 PolarHBondContact ND1-OH 2.91Å
423	I	98.8	Very high	96.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-48.1	175.6	-70.6	169.6	0	0	0	109.4	L415 D419 V420 Q421 V425 K426 T427 M461 E464 A465 W468	L415-I423 HydrophobicContact CD1-CD1 3.71Å; L415-I423 HydrophobicContact CD2-CD1 3.67Å; L415-I423 HydrophobicContact CG-CD1 4.35Å; D419-I423 WeakPolarHBondContact O-CG1 3.12Å; D419-I423 PolarHBondContact O-N 3.14Å; V420-I423 PolarHBondContact O-N 3.02Å; Q421-I423 PolarHBondContact O-N 3.4Å; I423-V425 VanDerWaalsContact C-N 3.33Å; I423-V425 PolarHBondContact O-N 3.21Å; I423-K426 PolarHBondContact O-N 3.49Å; I423-T427 HydrophobicContact CG2-CG2 4.17Å; I423-T427 WeakPolarHBondContact O-CG2 3.3Å; I423-T427 PolarHBondContact O-N 2.68Å; I423-T427 PolarHBondContact O-OG1 3.48Å; I423-M461 HydrophobicContact CG2-CB 4.18Å; I423-M461 HydrophobicContact CG2-CE 4.35Å; I423-M461 HydrophobicContact CG2-CG 4.04Å; I423-E464 HydrophobicContact CG1-CG 4.11Å; I423-E464 HydrophobicContact CG2-CB 4.23Å; I423-E464 HydrophobicContact CG2-CG 4.23Å; I423-A465 HydrophobicContact CD1-CB 4.19Å; I423-W468 HydrophobicContact CD1-CB 4.21Å; I423-W468 HydrophobicContact CD1-CD2 3.86Å; I423-W468 HydrophobicContact CD1-CE3 4.13Å; I423-W468 HydrophobicContact CD1-CG 3.9Å; I423-W468 HydrophobicContact CG1-CD2 3.66Å; I423-W468 HydrophobicContact CG1-CE3 3.56Å; I423-W468 HydrophobicContact CG1-CG 4.26Å; I423-W468 HydrophobicContact CG1-CH2 4.03Å; I423-W468 HydrophobicContact CG1-CZ2 4.18Å; I423-W468 HydrophobicContact CG1-CZ3 3.74Å
424	I	98.8	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-54.9	-48.2	176.8	-70.1	167.9	0	0	0	111.3	I342 L364 T365 I405 V420 Q421 K426 T427 S428 M456 M461	I342-I424 HydrophobicContact CD1-CD1 3.99Å; I342-I424 HydrophobicContact CG2-CD1 3.83Å; L364-I424 HydrophobicContact CD2-CB 4.09Å; L364-I424 HydrophobicContact CD2-CD1 4.24Å; L364-I424 HydrophobicContact CD2-CG2 3.79Å; L364-I424 HydrophobicContact CG-CG2 4.08Å; T365-I424 VanDerWaalsContact CB-CG2 3.49Å; T365-I424 HydrophobicContact CG2-CG2 3.55Å; I405-I424 HydrophobicContact CD1-CD1 4.06Å; I405-I424 HydrophobicContact CG1-CD1 4.27Å; V420-I424 HydrophobicContact CG1-CD1 3.99Å; V420-I424 VanDerWaalsContact O-CG1 3.27Å; V420-I424 WeakPolarHBondContact O-CG1 3.28Å; V420-I424 PolarHBondContact O-N 2.7Å; Q421-I424 WeakPolarHBondContact O-CB 3.31Å; Q421-I424 PolarHBondContact O-N 3.11Å; I424-K426 VanDerWaalsContact C-N 3.27Å; I424-K426 PolarHBondContact O-N 3.32Å; I424-T427 PolarHBondContact O-N 3.17Å; I424-S428 VanDerWaalsContact O-CB 3.23Å; I424-S428 WeakPolarHBondContact O-CB 3.47Å; I424-S428 PolarHBondContact O-N 3.03Å; I424-S428 PolarHBondContact O-OG 3.3Å; I424-M456 HydrophobicContact CD1-CE 4.31Å; I424-M456 HydrophobicContact CG1-CE 4.22Å; I424-M461 HydrophobicContact CD1-CE 4.37Å; I424-M461 HydrophobicContact CG1-CE 3.57Å; I424-M461 HydrophobicContact CG1-SD 4.18Å
425	V	98.5	Very high	96.2	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-59.1	-39.9	177.8	171.4	0	0	0	0	111.2	L364 Q421 H422 I423 Y445 F453 W569	L364-V425 HydrophobicContact CD1-CG2 3.82Å; L364-V425 HydrophobicContact CG-CG2 4.42Å; Q421-V425 VanDerWaalsContact O-CG2 3.28Å; Q421-V425 WeakPolarHBondContact O-CG2 3.3Å; Q421-V425 PolarHBondContact O-N 2.85Å; H422-V425 PolarHBondContact O-N 3.15Å; I423-V425 VanDerWaalsContact C-N 3.33Å; I423-V425 PolarHBondContact O-N 3.21Å; V425-Y445 HydrophobicContact CG1-CD1 4.04Å; V425-Y445 HydrophobicContact CG1-CD2 4.21Å; V425-Y445 HydrophobicContact CG1-CE1 3.94Å; V425-Y445 HydrophobicContact CG1-CE2 4.1Å; V425-Y445 HydrophobicContact CG1-CG 4.18Å; V425-F453 HydrophobicContact CB-CD2 4.31Å; V425-F453 HydrophobicContact CB-CE2 4.43Å; V425-F453 HydrophobicContact CB-CG 4.42Å; V425-F453 HydrophobicContact CG1-CD1 3.92Å; V425-F453 HydrophobicContact CG1-CD2 4.3Å; V425-F453 HydrophobicContact CG1-CE1 3.75Å; V425-F453 HydrophobicContact CG1-CE2 4.17Å; V425-F453 HydrophobicContact CG1-CG 4.19Å; V425-F453 HydrophobicContact CG1-CZ 3.88Å; V425-F453 HydrophobicContact CG2-CD2 3.7Å; V425-F453 HydrophobicContact CG2-CE2 3.62Å; V425-F453 HydrophobicContact CG2-CG 4.29Å; V425-F453 HydrophobicContact CG2-CZ 4.12Å; V425-W569 HydrophobicContact CG1-CB 4.44Å; V425-W569 HydrophobicContact CG1-CG 4.12Å; V425-W569 HydrophobicContact CG2-CD2 3.89Å; V425-W569 HydrophobicContact CG2-CE3 4.18Å; V425-W569 HydrophobicContact CG2-CG 4.17Å; V425-W569 HydrophobicContact CG2-CZ2 4.49Å
426	K	97.3	Very high	96.1	Very high	90 Å²	90	33.1 Å²	33.1	39%	0.391	20%	0.196	S	C	.	.	H	α-helix	trans	-75.4	-32.7	-177	-168.6	178.4	176.8	-168.2	0	113.4	H422 I423 I424 E464 W468	H422-K426 WeakPolarHBondContact O-CB 3.24Å; H422-K426 PolarHBondContact O-N 3.43Å; I423-K426 PolarHBondContact O-N 3.49Å; I424-K426 VanDerWaalsContact C-N 3.27Å; I424-K426 PolarHBondContact O-N 3.32Å; K426-E464 HydrophobicContact CD-CG 4.18Å; K426-E464 VanDerWaalsContact CE-OE2 3.24Å; K426-E464 WeakPolarHBondContact CE-OE2 3.45Å; K426-E464 IonicContact NZ-OE1 2.64Å; K426-E464 PolarHBondContact NZ-OE1 3.23Å; K426-E464 IonicContact NZ-OE2 2.88Å; K426-E464 PolarHBondContact NZ-OE2 3.1Å; K426-W468 HydrophobicContact CD-CZ3 4.06Å
427	T	97.9	Very high	95.9	Very high	10 Å²	10	34.2 Å²	34.2	6%	0.061	20%	0.202	C	C	.	.	H	α-helix	trans	-107.5	-18.1	-169.2	62.5	0	0	0	0	114.3	I423 I424 R429 A460 M461 E464	I423-T427 HydrophobicContact CG2-CG2 4.17Å; I423-T427 WeakPolarHBondContact O-CG2 3.3Å; I423-T427 PolarHBondContact O-N 2.68Å; I423-T427 PolarHBondContact O-OG1 3.48Å; I424-T427 PolarHBondContact O-N 3.17Å; T427-R429 WeakPolarHBondContact O-CG 3.44Å; T427-A460 HydrophobicContact CG2-CB 4.23Å; T427-M461 HydrophobicContact CG2-CG 4.49Å; T427-M461 WeakPolarHBondContact OG1-CG 3.04Å; T427-E464 HydrophobicContact CG2-CB 3.78Å; T427-E464 HydrophobicContact CG2-CG 4.09Å
428	S	97.6	Very high	95.9	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.098	21%	0.209	C	C	.	.			trans	-62.5	147.3	174.7	-60.2	0	0	0	0	110.9	T365 I424 F453 L455	T365-S428 PolarHBondContact OG1-OG 2.95Å; I424-S428 VanDerWaalsContact O-CB 3.23Å; I424-S428 WeakPolarHBondContact O-CB 3.47Å; I424-S428 PolarHBondContact O-N 3.03Å; I424-S428 PolarHBondContact O-OG 3.3Å; S428-F453 CarbonylContact C-O 3.55Å; S428-F453 WeakPolarHBondContact CB-O 3.05Å; S428-L455 WeakPolarHBondContact CA-O 3.18Å
429	R	93.5	Very high	95.7	Very high	132 Å²	132	41.3 Å²	41.3	50%	0.498	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-131.1	138.9	-174.1	-57.8	-176.9	-175.6	165.1	10.2	111.4	T427 G431 G454 L455 D457	T427-R429 WeakPolarHBondContact O-CG 3.44Å; R429-G431 PolarHBondContact O-N 2.87Å; R429-G454 CarbonylContact O-C 3.44Å; R429-G454 WeakPolarHBondContact O-CA 3.47Å; R429-L455 PolarHBondContact N-O 2.83Å; R429-L455 PolarHBondContact O-N 2.93Å; R429-D457 IonicContact CZ-OD2 2.76Å; R429-D457 IonicContact NE-OD2 3.06Å; R429-D457 PolarHBondContact NE-OD2 3.43Å; R429-D457 IonicContact NH1-OD2 3.37Å; R429-D457 PolarHBondContact NH1-OD2 3.22Å; R429-D457 IonicContact NH2-OD2 3.53Å; R429-D457 PolarHBondContact NH2-OD2 3.04Å
430	A	92.2	Very high	95.7	Very high	25 Å²	25	45.5 Å²	45.5	21%	0.207	26%	0.258	C	S	.	.			trans	-59.1	-32.6	170	0	0	0	0	0	111.9	H432 L433 W438	A430-H432 PolarHBondContact O-N 3.38Å; A430-L433 WeakPolarHBondContact O-CA 3.46Å; A430-L433 WeakPolarHBondContact O-CB 3.42Å; A430-L433 WeakPolarHBondContact O-CG 3.29Å; A430-L433 PolarHBondContact O-N 3.44Å; A430-W438 HydrophobicContact CB-CD2 4.46Å; A430-W438 HydrophobicContact CB-CH2 4.09Å; A430-W438 HydrophobicContact CB-CZ2 3.89Å; A430-W438 HydrophobicContact CB-CZ3 4.41Å
431	G	84.1	Confident	95.6	Very high	59 Å²	59	45.8 Å²	45.8	61%	0.608	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	-135.4	171.5	0	0	0	0	0	113.5	R429 L433	R429-G431 PolarHBondContact O-N 2.87Å; G431-L433 VanDerWaalsContact C-N 3.28Å
432	H	89.4	Confident	95.4	Very high	66 Å²	66	48.4 Å²	48.4	31%	0.306	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	5.4	172.3	70.3	-64.9	0	0	0	114	D158 G351 Y368 A430 S434	D158-H432 IonicContact OD2-CE1 3.74Å; D158-H432 IonicContact OD2-CG 3.43Å; D158-H432 IonicContact OD2-ND1 2.7Å; D158-H432 PolarHBondContact OD2-ND1 2.63Å; G351-H432 WeakPolarHBondContact CA-CD2 3.39Å; G351-H432 WeakPolarHBondContact CA-NE2 3.38Å; G351-H432 PolarHBondContact N-CD2 3.14Å; G351-H432 PolarHBondContact N-NE2 2.88Å; Y368-H432 AromaticContact CE1-CE1 3.7Å; Y368-H432 AromaticContact CE1-NE2 3.61Å; Y368-H432 AromaticContact CZ-CE1 3.66Å; Y368-H432 AromaticContact CZ-NE2 3.95Å; Y368-H432 PolarHBondContact OH-CE1 2.91Å; Y368-H432 PolarHBondContact OH-NE2 3.41Å; A430-H432 PolarHBondContact O-N 3.38Å; H432-S434 PolarHBondContact O-N 2.86Å
433	L	93.8	Very high	95.2	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	30%	0.297	C	S	.	.			trans	-69.5	124.6	-174.4	-55.5	-179.2	0	0	0	111.9	T347 G351 A430 G431 W438 Y451 L455	T347-L433 HydrophobicContact CG2-CD2 3.59Å; T347-L433 WeakPolarHBondContact OG1-CD2 3.39Å; G351-L433 WeakPolarHBondContact O-CA 3.44Å; A430-L433 WeakPolarHBondContact O-CA 3.46Å; A430-L433 WeakPolarHBondContact O-CB 3.42Å; A430-L433 WeakPolarHBondContact O-CG 3.29Å; A430-L433 PolarHBondContact O-N 3.44Å; G431-L433 VanDerWaalsContact C-N 3.28Å; L433-W438 HydrophobicContact CB-CZ2 4.11Å; L433-W438 HydrophobicContact CD1-CZ2 4.19Å; L433-W438 PolarHBondContact O-NE1 3.42Å; L433-Y451 HydrophobicContact CB-CD2 3.82Å; L433-Y451 HydrophobicContact CB-CE2 3.77Å; L433-Y451 HydrophobicContact CB-CG 4.45Å; L433-Y451 HydrophobicContact CD1-CD1 4.29Å; L433-Y451 HydrophobicContact CD1-CD2 4.03Å; L433-Y451 HydrophobicContact CD1-CG 3.84Å; L433-Y451 HydrophobicContact CG-CD2 4.49Å; L433-L455 HydrophobicContact CD1-CB 4.04Å; L433-L455 HydrophobicContact CG-CB 4.43Å
434	S	93.6	Very high	95.1	Very high	78 Å²	78	52.8 Å²	52.8	55%	0.545	32%	0.324	S	S	.	.			trans	-95.2	109.7	-179.7	-173.2	0	0	0	0	111.2	G351 H432 Y451	G351-S434 PolarHBondContact O-N 2.82Å; H432-S434 PolarHBondContact O-N 2.86Å; S434-Y451 WeakPolarHBondContact O-CE2 3.42Å; S434-Y451 PolarHBondContact O-OH 3.28Å
435	A	95.3	Very high	95	Very high	19 Å²	19	54.9 Å²	54.9	16%	0.157	33%	0.332	C	S	.	.			trans	-143.7	138.7	171.9	0	0	0	0	0	110.6	D437 W438 L450 Y451	A435-D437 VanDerWaalsContact C-N 3.32Å; A435-W438 HydrophobicContact CB-CG 4.33Å; A435-L450 HydrophobicContact CB-CD1 3.78Å; A435-Y451 HydrophobicContact CB-CD2 3.86Å; A435-Y451 HydrophobicContact CB-CE2 3.78Å
436	S	95.3	Very high	94.9	Very high	131 Å²	131	58.4 Å²	58.4	92%	0.916	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-13	178.6	56	0	0	0	0	113.5
437	D	96.2	Very high	94.9	Very high	38 Å²	38	54.3 Å²	54.3	20%	0.203	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	6.9	-174.3	80.9	-43.8	0	0	0	113.8	A435 K439 S448 H449	A435-D437 VanDerWaalsContact C-N 3.32Å; D437-K439 PolarHBondContact O-N 3.29Å; D437-S448 WeakPolarHBondContact OD1-CB 3.44Å; D437-S448 PolarHBondContact OD1-OG 3.04Å; D437-S448 PolarHBondContact OD2-OG 3.39Å; D437-H449 IonicContact OD2-CG 3.71Å; D437-H449 PolarHBondContact OD2-N 2.92Å; D437-H449 IonicContact OD2-ND1 2.74Å; D437-H449 PolarHBondContact OD2-ND1 3.01Å
438	W	97.3	Very high	94.9	Very high	60 Å²	60	53.8 Å²	53.8	23%	0.227	33%	0.33	C	S	.	.			trans	-52	124.3	173.4	-81.2	124.5	0	0	0	111.1	A430 L433 A435 N446 V447 Y451 G452	A430-W438 HydrophobicContact CB-CD2 4.46Å; A430-W438 HydrophobicContact CB-CH2 4.09Å; A430-W438 HydrophobicContact CB-CZ2 3.89Å; A430-W438 HydrophobicContact CB-CZ3 4.41Å; L433-W438 HydrophobicContact CB-CZ2 4.11Å; L433-W438 HydrophobicContact CD1-CZ2 4.19Å; L433-W438 PolarHBondContact O-NE1 3.42Å; A435-W438 HydrophobicContact CB-CG 4.33Å; W438-N446 HydrophobicContact CE3-CB 4.15Å; W438-N446 HydrophobicContact CZ3-CB 4.29Å; W438-V447 VanDerWaalsContact CE3-C 3.43Å; W438-Y451 AromaticContact CZ2-CD2 3.76Å; W438-Y451 HydrophobicContact CZ2-CD2 3.76Å; W438-Y451 HydrophobicContact CZ2-CG 4.32Å; W438-G452 WeakPolarHBondContact CZ3-O 3.33Å
439	K	95.8	Very high	95	Very high	122 Å²	122	54 Å²	54	53%	0.53	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.6	175.2	-70.1	178.7	-175.4	177.8	0	110.2	D437 N446 V447	D437-K439 PolarHBondContact O-N 3.29Å; K439-N446 CarbonylContact O-C 3.54Å; K439-N446 WeakPolarHBondContact O-CA 3.24Å; K439-V447 PolarHBondContact N-O 3.35Å; K439-V447 WeakPolarHBondContact O-CG1 3.23Å; K439-V447 PolarHBondContact O-N 2.9Å
440	T	97.4	Very high	95.2	Very high	89 Å²	89	48.3 Å²	48.3	55%	0.546	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.2	169.4	-46.8	0	0	0	0	108.6	Y445 N446	T440-Y445 CarbonylContact C-O 3.58Å; T440-Y445 VanDerWaalsContact CA-O 3.3Å; T440-Y445 WeakPolarHBondContact CA-O 3.4Å; T440-N446 PolarHBondContact OG1-OD1 2.84Å
441	N	97.2	Very high	95.4	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.037	30%	0.299	C	S	.	.			trans	-72.4	173	174	84.1	-5.1	0	0	0	110.8	A443 G444 Y445 V447 T541 H567 W569 E571	N441-A443 PolarHBondContact O-N 3.24Å; N441-A443 WeakPolarHBondContact OD1-CA 3.29Å; N441-A443 PolarHBondContact OD1-N 3.09Å; N441-G444 PolarHBondContact O-N 3.43Å; N441-G444 PolarHBondContact OD1-N 3.18Å; N441-G444 VanDerWaalsContact OD1-N 3.08Å; N441-Y445 PolarHBondContact N-O 3.47Å; N441-Y445 PolarHBondContact OD1-N 3.42Å; N441-V447 HydrophobicContact CB-CG1 4.42Å; N441-T541 HydrophobicContact CB-CG2 4.1Å; N441-H567 VanDerWaalsContact CB-O 3.24Å; N441-H567 WeakPolarHBondContact CB-O 3.23Å; N441-H567 PolarHBondContact ND2-O 3.11Å; N441-W569 PolarHBondContact ND2-O 3.2Å; N441-E571 WeakPolarHBondContact CB-OE1 3.13Å
442	A	95.1	Very high	96.1	Very high	60 Å²	60	44.3 Å²	44.3	50%	0.496	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.4	-175.2	0	0	0	0	0	114.1	G444 E571	A442-G444 VanDerWaalsContact C-N 3.34Å; A442-E571 HydrophobicContact CB-CG 3.95Å; A442-E571 PolarHBondContact N-OE1 3.17Å
443	A	94.9	Very high	96.6	Very high	40 Å²	40	41.4 Å²	41.4	33%	0.331	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3	171.7	0	0	0	0	0	113.2	N441 Y445 W569 E571	N441-A443 PolarHBondContact O-N 3.24Å; N441-A443 WeakPolarHBondContact OD1-CA 3.29Å; N441-A443 PolarHBondContact OD1-N 3.09Å; A443-Y445 HydrophobicContact CB-CD2 3.9Å; A443-Y445 HydrophobicContact CB-CE2 4.09Å; A443-W569 WeakPolarHBondContact CB-O 3.47Å; A443-E571 HydrophobicContact CB-CG 4.36Å
444	G	95.3	Very high	96.7	Very high	55 Å²	55	40.9 Å²	40.9	57%	0.567	25%	0.254	S	S	*	.	S	Bend	trans	93	8.5	176.8	0	0	0	0	0	115	N441 A442	N441-G444 PolarHBondContact O-N 3.43Å; N441-G444 PolarHBondContact OD1-N 3.18Å; N441-G444 VanDerWaalsContact OD1-N 3.08Å; A442-G444 VanDerWaalsContact C-N 3.34Å
445	Y	96.6	Very high	96.9	Very high	44 Å²	44	37.4 Å²	37.4	17%	0.173	23%	0.229	C	C	.	.			trans	-90.6	135.7	177.7	-64	-71.1	0	0	0	111.7	V425 T440 N441 A443 F453 Y612	V425-Y445 HydrophobicContact CG1-CD1 4.04Å; V425-Y445 HydrophobicContact CG1-CD2 4.21Å; V425-Y445 HydrophobicContact CG1-CE1 3.94Å; V425-Y445 HydrophobicContact CG1-CE2 4.1Å; V425-Y445 HydrophobicContact CG1-CG 4.18Å; T440-Y445 CarbonylContact C-O 3.58Å; T440-Y445 VanDerWaalsContact CA-O 3.3Å; T440-Y445 WeakPolarHBondContact CA-O 3.4Å; N441-Y445 PolarHBondContact N-O 3.47Å; N441-Y445 PolarHBondContact OD1-N 3.42Å; A443-Y445 HydrophobicContact CB-CD2 3.9Å; A443-Y445 HydrophobicContact CB-CE2 4.09Å; Y445-F453 HydrophobicContact CD2-CE1 4.48Å; Y445-F453 HydrophobicContact CG-CD1 4.31Å; Y445-F453 HydrophobicContact CG-CE1 4.03Å; Y445-Y612 WeakPolarHBondContact OH-CE2 3.05Å
446	N	97	Very high	97	Very high	76 Å²	76	36.5 Å²	36.5	41%	0.406	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.3	170	-70.4	-18.5	0	0	0	109.6	W438 K439 T440	W438-N446 HydrophobicContact CE3-CB 4.15Å; W438-N446 HydrophobicContact CZ3-CB 4.29Å; K439-N446 CarbonylContact O-C 3.54Å; K439-N446 WeakPolarHBondContact O-CA 3.24Å; T440-N446 PolarHBondContact OG1-OD1 2.84Å
447	V	97.9	Very high	97.1	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.1	-177.7	63.2	0	0	0	0	111.6	W438 K439 N441 G452 F453 H567	W438-V447 VanDerWaalsContact CE3-C 3.43Å; K439-V447 PolarHBondContact N-O 3.35Å; K439-V447 WeakPolarHBondContact O-CG1 3.23Å; K439-V447 PolarHBondContact O-N 2.9Å; N441-V447 HydrophobicContact CB-CG1 4.42Å; V447-G452 WeakPolarHBondContact CA-O 3.27Å; V447-F453 HydrophobicContact CB-CE1 4.39Å; V447-H567 HydrophobicContact CG1-CB 4.06Å; V447-H567 HydrophobicContact CG2-CB 4.03Å; V447-H567 WeakPolarHBondContact CG2-CD2 3.37Å; V447-H567 VanDerWaalsContact CG2-CG 3.43Å; V447-H567 WeakPolarHBondContact CG2-NE2 3.3Å
448	S	98.4	Very high	97.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-139.2	144.7	176.8	165.1	0	0	0	0	109.5	D437 L450 Y451 G452	D437-S448 WeakPolarHBondContact OD1-CB 3.44Å; D437-S448 PolarHBondContact OD1-OG 3.04Å; D437-S448 PolarHBondContact OD2-OG 3.39Å; S448-L450 PolarHBondContact O-N 2.9Å; S448-L450 WeakPolarHBondContact OG-CB 3.44Å; S448-L450 PolarHBondContact OG-N 3.36Å; S448-Y451 PolarHBondContact O-N 2.93Å; S448-Y451 PolarHBondContact OG-N 3.42Å; S448-G452 PolarHBondContact N-O 3.36Å; S448-G452 VanDerWaalsContact O-CA 3.27Å; S448-G452 WeakPolarHBondContact O-CA 3.45Å; S448-G452 PolarHBondContact O-N 2.99Å
449	H	98.1	Very high	97.1	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.083	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.8	173.6	-55.9	79.3	0	0	0	111.9	E359 C360 D437 Q544 H567	E359-H449 WeakPolarHBondContact CA-O 3.49Å; E359-H449 HydrophobicContact CB-CB 4.29Å; C360-H449 PolarHBondContact N-O 3.33Å; D437-H449 IonicContact OD2-CG 3.71Å; D437-H449 PolarHBondContact OD2-N 2.92Å; D437-H449 IonicContact OD2-ND1 2.74Å; D437-H449 PolarHBondContact OD2-ND1 3.01Å; H449-Q544 PolarHBondContact NE2-N 3.05Å; H449-H567 AromaticContact CD2-CE1 3.33Å; H449-H567 PolarHBondContact CD2-CE1 2.9Å; H449-H567 AromaticContact CD2-NE2 3.97Å; H449-H567 AromaticContact CE1-CE1 3.43Å; H449-H567 PolarHBondContact CE1-CE1 2.77Å; H449-H567 VanDerWaalsContact CE1-CE1 3.43Å; H449-H567 AromaticContact CE1-ND1 3.72Å; H449-H567 AromaticContact CG-CE1 3.51Å; H449-H567 AromaticContact ND1-CE1 3.58Å; H449-H567 AromaticContact NE2-CE1 3.27Å; H449-H567 PolarHBondContact NE2-CE1 3.18Å; H449-H567 VanDerWaalsContact NE2-CE1 3.27Å; H449-H567 AromaticContact NE2-ND1 3.57Å
450	L	97.4	Very high	97.2	Very high	13 Å²	13	23.1 Å²	23.1	7%	0.068	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-42.4	173.2	-66.7	169.9	0	0	0	111.2	S345 K353 L357 E359 A435 S448	S345-L450 VanDerWaalsContact CB-O 3.29Å; S345-L450 WeakPolarHBondContact CB-O 3.45Å; S345-L450 PolarHBondContact OG-O 3.15Å; K353-L450 HydrophobicContact CB-CD1 4.48Å; K353-L450 HydrophobicContact CB-CD2 4.36Å; K353-L450 HydrophobicContact CD-CD1 4Å; K353-L450 HydrophobicContact CD-CD2 3.61Å; K353-L450 HydrophobicContact CD-CG 4.5Å; L357-L450 HydrophobicContact CD2-CB 4.37Å; L357-L450 HydrophobicContact CD2-CD2 3.98Å; E359-L450 HydrophobicContact CB-CD2 3.9Å; E359-L450 WeakPolarHBondContact OE2-CD2 3.48Å; A435-L450 HydrophobicContact CB-CD1 3.78Å; S448-L450 PolarHBondContact O-N 2.9Å; S448-L450 WeakPolarHBondContact OG-CB 3.44Å; S448-L450 PolarHBondContact OG-N 3.36Å
451	Y	98.1	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	2.9	-165.3	-59.4	-51.4	0	0	0	116	G351 K353 L357 T366 L433 S434 A435 W438 S448 F453 G454	G351-Y451 PolarHBondContact O-OH 3.22Å; G351-Y451 VanDerWaalsContact O-OH 3.07Å; K353-Y451 VanDerWaalsContact CA-OH 3.31Å; K353-Y451 WeakPolarHBondContact CA-OH 3.5Å; K353-Y451 PolarHBondContact N-OH 2.9Å; L357-Y451 HydrophobicContact CD2-CE1 4.42Å; T366-Y451 HydrophobicContact CG2-CD1 3.81Å; T366-Y451 HydrophobicContact CG2-CE1 4.38Å; T366-Y451 VanDerWaalsContact OG1-C 3.3Å; T366-Y451 WeakPolarHBondContact OG1-CA 3.18Å; T366-Y451 WeakPolarHBondContact OG1-CB 3.24Å; T366-Y451 PolarHBondContact OG1-O 3.44Å; L433-Y451 HydrophobicContact CB-CD2 3.82Å; L433-Y451 HydrophobicContact CB-CE2 3.77Å; L433-Y451 HydrophobicContact CB-CG 4.45Å; L433-Y451 HydrophobicContact CD1-CD1 4.29Å; L433-Y451 HydrophobicContact CD1-CD2 4.03Å; L433-Y451 HydrophobicContact CD1-CG 3.84Å; L433-Y451 HydrophobicContact CG-CD2 4.49Å; S434-Y451 WeakPolarHBondContact O-CE2 3.42Å; S434-Y451 PolarHBondContact O-OH 3.28Å; A435-Y451 HydrophobicContact CB-CD2 3.86Å; A435-Y451 HydrophobicContact CB-CE2 3.78Å; W438-Y451 AromaticContact CZ2-CD2 3.76Å; W438-Y451 HydrophobicContact CZ2-CD2 3.76Å; W438-Y451 HydrophobicContact CZ2-CG 4.32Å; S448-Y451 PolarHBondContact O-N 2.93Å; S448-Y451 PolarHBondContact OG-N 3.42Å; Y451-F453 PolarHBondContact O-N 2.91Å; Y451-G454 PolarHBondContact O-N 2.66Å
452	G	98.4	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	56.9	-130.2	-170.5	0	0	0	0	0	110.3	T363 W438 V447 S448 G454	T363-G452 WeakPolarHBondContact O-CA 3.36Å; W438-G452 WeakPolarHBondContact CZ3-O 3.33Å; V447-G452 WeakPolarHBondContact CA-O 3.27Å; S448-G452 PolarHBondContact N-O 3.36Å; S448-G452 VanDerWaalsContact O-CA 3.27Å; S448-G452 WeakPolarHBondContact O-CA 3.45Å; S448-G452 PolarHBondContact O-N 2.99Å; G452-G454 PolarHBondContact O-N 2.91Å
453	F	98.5	Very high	97.4	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.022	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.5	176.7	-68.1	-81.2	0	0	0	114.3	L364 V425 S428 Y445 V447 Y451 T566 W569	L364-F453 HydrophobicContact CD1-CD2 4.05Å; L364-F453 HydrophobicContact CD1-CE2 3.94Å; L364-F453 HydrophobicContact CG-CD2 4.43Å; L364-F453 VanDerWaalsContact O-CD2 3.28Å; L364-F453 WeakPolarHBondContact O-CD2 3.44Å; L364-F453 PolarHBondContact O-N 3.29Å; V425-F453 HydrophobicContact CB-CD2 4.31Å; V425-F453 HydrophobicContact CB-CE2 4.43Å; V425-F453 HydrophobicContact CB-CG 4.42Å; V425-F453 HydrophobicContact CG1-CD1 3.92Å; V425-F453 HydrophobicContact CG1-CD2 4.3Å; V425-F453 HydrophobicContact CG1-CE1 3.75Å; V425-F453 HydrophobicContact CG1-CE2 4.17Å; V425-F453 HydrophobicContact CG1-CG 4.19Å; V425-F453 HydrophobicContact CG1-CZ 3.88Å; V425-F453 HydrophobicContact CG2-CD2 3.7Å; V425-F453 HydrophobicContact CG2-CE2 3.62Å; V425-F453 HydrophobicContact CG2-CG 4.29Å; V425-F453 HydrophobicContact CG2-CZ 4.12Å; S428-F453 CarbonylContact C-O 3.55Å; S428-F453 WeakPolarHBondContact CB-O 3.05Å; Y445-F453 HydrophobicContact CD2-CE1 4.48Å; Y445-F453 HydrophobicContact CG-CD1 4.31Å; Y445-F453 HydrophobicContact CG-CE1 4.03Å; V447-F453 HydrophobicContact CB-CE1 4.39Å; Y451-F453 PolarHBondContact O-N 2.91Å; F453-T566 WeakPolarHBondContact CZ-O 3.15Å; F453-W569 HydrophobicContact CE2-CB 4.46Å; F453-W569 HydrophobicContact CZ-CB 3.72Å
454	G	97.8	Very high	97.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.			trans	115.1	-162.4	175.1	0	0	0	0	0	114.1	T365 T366 R429 Y451 G452	T365-G454 PolarHBondContact OG1-O 3.18Å; T366-G454 PolarHBondContact N-O 3.43Å; R429-G454 CarbonylContact O-C 3.44Å; R429-G454 WeakPolarHBondContact O-CA 3.47Å; Y451-G454 PolarHBondContact O-N 2.66Å; G452-G454 PolarHBondContact O-N 2.91Å
455	L	97.3	Very high	97.7	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-75.8	136.2	179.8	-164.3	73.7	0	0	0	110.3	D158 M159 T347 T366 Y368 S428 R429 L433	D158-L455 HydrophobicContact CB-CD2 3.47Å; D158-L455 VanDerWaalsContact CB-CD2 3.47Å; M159-L455 HydrophobicContact CG-CD1 4.12Å; M159-L455 HydrophobicContact CG-CD2 3.77Å; M159-L455 HydrophobicContact CG-CG 3.84Å; M159-L455 HydrophobicContact SD-CD1 4.34Å; T347-L455 HydrophobicContact CG2-CD1 3.9Å; T366-L455 HydrophobicContact CG2-CD1 4.35Å; T366-L455 WeakPolarHBondContact O-CA 3.3Å; Y368-L455 HydrophobicContact CE1-CD2 4.48Å; Y368-L455 HydrophobicContact CE2-CD2 4.01Å; S428-L455 WeakPolarHBondContact CA-O 3.18Å; R429-L455 PolarHBondContact N-O 2.83Å; R429-L455 PolarHBondContact O-N 2.93Å; L433-L455 HydrophobicContact CD1-CB 4.04Å; L433-L455 HydrophobicContact CG-CB 4.43Å
456	M	97.9	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.			trans	-66.8	134.3	174.6	-65.4	-178.6	75.9	0	0	111.3	M159 I344 T365 T366 T367 A401 I404 I405 I424 M461	M159-M456 VanDerWaalsContact CA-O 3.27Å; M159-M456 WeakPolarHBondContact CA-O 3.49Å; I344-M456 HydrophobicContact CD1-SD 4.48Å; T365-M456 HydrophobicContact CG2-CG 3.59Å; T365-M456 HydrophobicContact CG2-SD 3.68Å; T365-M456 VanDerWaalsContact OG1-CG 3.24Å; T365-M456 WeakPolarHBondContact OG1-CG 3.47Å; T366-M456 PolarHBondContact O-N 2.74Å; T367-M456 HydrophobicContact CG2-CB 4.18Å; T367-M456 HydrophobicContact CG2-CG 4.01Å; T367-M456 HydrophobicContact CG2-SD 3.58Å; T367-M456 VanDerWaalsContact CG2-SD 3.58Å; A401-M456 HydrophobicContact CB-CE 4.22Å; A401-M456 HydrophobicContact CB-SD 3.42Å; A401-M456 WeakPolarHBondContact CB-SD 2.82Å; I404-M456 HydrophobicContact CB-CE 3.97Å; I404-M456 HydrophobicContact CD1-CB 3.96Å; I404-M456 HydrophobicContact CG2-CE 3.79Å; I405-M456 HydrophobicContact CG1-CE 4.08Å; I424-M456 HydrophobicContact CD1-CE 4.31Å; I424-M456 HydrophobicContact CG1-CE 4.22Å; M456-M461 HydrophobicContact CB-SD 4.49Å; M456-M461 HydrophobicContact CE-CE 3.78Å; M456-M461 HydrophobicContact CE-SD 3.4Å; M456-M461 WeakPolarHBondContact CE-SD 3.49Å
457	D	96.9	Very high	97.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	11%	0.11	C	C	.	.			trans	-113.9	107.7	174.2	178.5	-32.5	0	0	0	109	N160 R429 E459 A460 M461	N160-D457 VanDerWaalsContact CB-OD1 3.3Å; N160-D457 WeakPolarHBondContact CB-OD1 3.44Å; N160-D457 VanDerWaalsContact ND2-CG 3.34Å; N160-D457 PolarHBondContact ND2-OD1 3.23Å; N160-D457 PolarHBondContact ND2-OD2 2.89Å; R429-D457 IonicContact CZ-OD2 2.76Å; R429-D457 IonicContact NE-OD2 3.06Å; R429-D457 PolarHBondContact NE-OD2 3.43Å; R429-D457 IonicContact NH1-OD2 3.37Å; R429-D457 PolarHBondContact NH1-OD2 3.22Å; R429-D457 IonicContact NH2-OD2 3.53Å; R429-D457 PolarHBondContact NH2-OD2 3.04Å; D457-E459 PolarHBondContact OD1-N 2.85Å; D457-E459 VanDerWaalsContact OD1-N 3.14Å; D457-A460 HydrophobicContact CB-CB 3.86Å; D457-A460 VanDerWaalsContact CG-CB 3.45Å; D457-A460 PolarHBondContact O-N 2.96Å; D457-A460 WeakPolarHBondContact OD1-CB 3.46Å; D457-A460 PolarHBondContact OD1-N 3.02Å; D457-M461 WeakPolarHBondContact O-CB 3.43Å; D457-M461 VanDerWaalsContact O-CG 3.3Å; D457-M461 WeakPolarHBondContact O-CG 3.43Å; D457-M461 PolarHBondContact O-N 3.28Å
458	A	97.4	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-41.8	-174.3	0	0	0	0	0	112.9	M159 I161 A164 I404 L407 M461 V462	M159-A458 WeakPolarHBondContact O-CB 3.49Å; M159-A458 PolarHBondContact O-N 3.45Å; I161-A458 HydrophobicContact CG1-CB 4.17Å; A164-A458 HydrophobicContact CB-CB 4.07Å; I404-A458 HydrophobicContact CG1-CB 4.15Å; I404-A458 HydrophobicContact CG2-CB 3.86Å; L407-A458 HydrophobicContact CD1-CB 4.28Å; A458-M461 PolarHBondContact O-N 3.33Å; A458-V462 WeakPolarHBondContact O-CB 3.36Å; A458-V462 VanDerWaalsContact O-CG2 3.26Å; A458-V462 WeakPolarHBondContact O-CG2 3.1Å; A458-V462 PolarHBondContact O-N 2.87Å
459	E	95.9	Very high	97.2	Very high	51 Å²	51	31.5 Å²	31.5	24%	0.238	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-43.4	178.4	-170.2	-174.1	177.9	0	0	111.1	N160 D457 V462 K463	N160-E459 HydrophobicContact CB-CB 4.04Å; N160-E459 PolarHBondContact O-N 2.89Å; D457-E459 PolarHBondContact OD1-N 2.85Å; D457-E459 VanDerWaalsContact OD1-N 3.14Å; E459-V462 PolarHBondContact O-N 3.47Å; E459-K463 HydrophobicContact CG-CD 4.27Å; E459-K463 WeakPolarHBondContact O-CB 3.34Å; E459-K463 WeakPolarHBondContact O-CG 3.03Å; E459-K463 PolarHBondContact O-N 2.88Å; E459-K463 WeakPolarHBondContact OE1-CE 3.07Å; E459-K463 IonicContact OE1-NZ 3.47Å; E459-K463 PolarHBondContact OE1-NZ 3.4Å
460	A	97.3	Very high	97.1	Very high	16 Å²	16	37 Å²	37	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-42.9	177.6	0	0	0	0	0	111.7	T427 D457 K463 E464	T427-A460 HydrophobicContact CG2-CB 4.23Å; D457-A460 HydrophobicContact CB-CB 3.86Å; D457-A460 VanDerWaalsContact CG-CB 3.45Å; D457-A460 PolarHBondContact O-N 2.96Å; D457-A460 WeakPolarHBondContact OD1-CB 3.46Å; D457-A460 PolarHBondContact OD1-N 3.02Å; A460-K463 PolarHBondContact O-N 2.97Å; A460-E464 VanDerWaalsContact O-CB 3.3Å; A460-E464 WeakPolarHBondContact O-CB 3.29Å; A460-E464 PolarHBondContact O-N 2.82Å
461	M	98.6	Very high	97	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-46.5	176.7	-77.6	-174.4	65.8	0	0	112.1	I404 I405 A408 I423 I424 T427 M456 D457 A458 E464 A465	I404-M461 HydrophobicContact CG2-CE 4.25Å; I404-M461 HydrophobicContact CG2-SD 3.53Å; I404-M461 VanDerWaalsContact CG2-SD 3.53Å; I405-M461 HydrophobicContact CG1-CE 4.17Å; A408-M461 HydrophobicContact CB-CB 4.43Å; A408-M461 HydrophobicContact CB-CE 4.36Å; I423-M461 HydrophobicContact CG2-CB 4.18Å; I423-M461 HydrophobicContact CG2-CE 4.35Å; I423-M461 HydrophobicContact CG2-CG 4.04Å; I424-M461 HydrophobicContact CD1-CE 4.37Å; I424-M461 HydrophobicContact CG1-CE 3.57Å; I424-M461 HydrophobicContact CG1-SD 4.18Å; T427-M461 HydrophobicContact CG2-CG 4.49Å; T427-M461 WeakPolarHBondContact OG1-CG 3.04Å; M456-M461 HydrophobicContact CB-SD 4.49Å; M456-M461 HydrophobicContact CE-CE 3.78Å; M456-M461 HydrophobicContact CE-SD 3.4Å; M456-M461 WeakPolarHBondContact CE-SD 3.49Å; D457-M461 WeakPolarHBondContact O-CB 3.43Å; D457-M461 VanDerWaalsContact O-CG 3.3Å; D457-M461 WeakPolarHBondContact O-CG 3.43Å; D457-M461 PolarHBondContact O-N 3.28Å; A458-M461 PolarHBondContact O-N 3.33Å; M461-E464 PolarHBondContact O-N 3.36Å; M461-A465 VanDerWaalsContact O-CB 3.28Å; M461-A465 WeakPolarHBondContact O-CB 3.42Å; M461-A465 PolarHBondContact O-N 2.95Å
462	V	98.1	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-42.6	179.2	172.3	0	0	0	0	111.1	A164 Y169 L407 A411 A458 E459 E464 A465 E466	A164-V462 HydrophobicContact CB-CG2 4.05Å; Y169-V462 HydrophobicContact CD1-CG1 4.21Å; Y169-V462 HydrophobicContact CD2-CB 4.42Å; Y169-V462 HydrophobicContact CD2-CG1 3.05Å; Y169-V462 HydrophobicContact CE1-CG1 4.43Å; Y169-V462 HydrophobicContact CE2-CG1 3.27Å; Y169-V462 HydrophobicContact CG-CG1 3.52Å; L407-V462 HydrophobicContact CB-CG2 3.78Å; A411-V462 HydrophobicContact CB-CB 4.5Å; A411-V462 HydrophobicContact CB-CG1 3.75Å; A458-V462 WeakPolarHBondContact O-CB 3.36Å; A458-V462 VanDerWaalsContact O-CG2 3.26Å; A458-V462 WeakPolarHBondContact O-CG2 3.1Å; A458-V462 PolarHBondContact O-N 2.87Å; E459-V462 PolarHBondContact O-N 3.47Å; V462-E464 VanDerWaalsContact C-N 3.32Å; V462-E464 PolarHBondContact O-N 2.96Å; V462-A465 PolarHBondContact O-N 2.85Å; V462-E466 WeakPolarHBondContact O-CG 3.41Å; V462-E466 PolarHBondContact O-N 2.73Å; V462-E466 VanDerWaalsContact O-N 3.15Å
463	K	97.4	Very high	96.7	Very high	94 Å²	94	41.9 Å²	41.9	41%	0.409	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-42.1	174.8	-79	177.4	-179.4	169.5	0	112.2	R167 E459 A460	R167-K463 VanDerWaalsContact CZ-CG 3.48Å; E459-K463 HydrophobicContact CG-CD 4.27Å; E459-K463 WeakPolarHBondContact O-CB 3.34Å; E459-K463 WeakPolarHBondContact O-CG 3.03Å; E459-K463 PolarHBondContact O-N 2.88Å; E459-K463 WeakPolarHBondContact OE1-CE 3.07Å; E459-K463 IonicContact OE1-NZ 3.47Å; E459-K463 PolarHBondContact OE1-NZ 3.4Å; A460-K463 PolarHBondContact O-N 2.97Å
464	E	97.9	Very high	96.6	Very high	42 Å²	42	44.1 Å²	44.1	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-40.7	178.1	-173.3	63.9	-141	0	0	111.1	I423 K426 T427 A460 M461 V462 E466 Q467 W468	I423-E464 HydrophobicContact CG1-CG 4.11Å; I423-E464 HydrophobicContact CG2-CB 4.23Å; I423-E464 HydrophobicContact CG2-CG 4.23Å; K426-E464 HydrophobicContact CD-CG 4.18Å; K426-E464 VanDerWaalsContact CE-OE2 3.24Å; K426-E464 WeakPolarHBondContact CE-OE2 3.45Å; K426-E464 IonicContact NZ-OE1 2.64Å; K426-E464 PolarHBondContact NZ-OE1 3.23Å; K426-E464 IonicContact NZ-OE2 2.88Å; K426-E464 PolarHBondContact NZ-OE2 3.1Å; T427-E464 HydrophobicContact CG2-CB 3.78Å; T427-E464 HydrophobicContact CG2-CG 4.09Å; A460-E464 VanDerWaalsContact O-CB 3.3Å; A460-E464 WeakPolarHBondContact O-CB 3.29Å; A460-E464 PolarHBondContact O-N 2.82Å; M461-E464 PolarHBondContact O-N 3.36Å; V462-E464 VanDerWaalsContact C-N 3.32Å; V462-E464 PolarHBondContact O-N 2.96Å; E464-E466 PolarHBondContact O-N 3.33Å; E464-Q467 PolarHBondContact O-N 2.76Å; E464-W468 HydrophobicContact CG-CE3 3.7Å; E464-W468 HydrophobicContact CG-CZ3 3.81Å; E464-W468 WeakPolarHBondContact O-CB 3.08Å; E464-W468 PolarHBondContact O-N 3.09Å; E464-W468 VanDerWaalsContact OE1-CZ3 3.26Å; E464-W468 WeakPolarHBondContact OE1-CZ3 3.28Å
465	A	98.1	Very high	96.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-42	178.6	0	0	0	0	0	113.4	A408 A411 N412 L415 I423 M461 V462 Q467 W468	A408-A465 HydrophobicContact CB-CB 4.25Å; A411-A465 HydrophobicContact CB-CB 4.06Å; N412-A465 HydrophobicContact CB-CB 4.21Å; N412-A465 VanDerWaalsContact CB-O 3.27Å; N412-A465 WeakPolarHBondContact CB-O 3.44Å; N412-A465 PolarHBondContact ND2-O 2.94Å; L415-A465 HydrophobicContact CD1-CB 3.93Å; I423-A465 HydrophobicContact CD1-CB 4.19Å; M461-A465 VanDerWaalsContact O-CB 3.28Å; M461-A465 WeakPolarHBondContact O-CB 3.42Å; M461-A465 PolarHBondContact O-N 2.95Å; V462-A465 PolarHBondContact O-N 2.85Å; A465-Q467 PolarHBondContact O-N 2.93Å; A465-W468 WeakPolarHBondContact O-CB 3.19Å; A465-W468 PolarHBondContact O-N 3.41Å; A465-W468 VanDerWaalsContact O-N 3.16Å
466	E	96.4	Very high	96.6	Very high	71 Å²	71	47.8 Å²	47.8	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-58.1	-34.7	179.9	-75.4	171.9	168.7	0	0	113.7	R167 Y169 A411 V462 E464	R167-E466 IonicContact CZ-OE1 3.85Å; R167-E466 IonicContact CZ-OE2 2.83Å; R167-E466 VanDerWaalsContact NH1-CD 3.29Å; R167-E466 IonicContact NH1-OE1 2.92Å; R167-E466 PolarHBondContact NH1-OE1 3.44Å; R167-E466 IonicContact NH1-OE2 3.51Å; R167-E466 PolarHBondContact NH1-OE2 3.01Å; R167-E466 IonicContact NH2-OE1 3.24Å; R167-E466 PolarHBondContact NH2-OE1 3.44Å; R167-E466 IonicContact NH2-OE2 2.78Å; R167-E466 PolarHBondContact NH2-OE2 3.25Å; Y169-E466 VanDerWaalsContact CE2-OE1 3.24Å; Y169-E466 WeakPolarHBondContact CE2-OE1 3.38Å; Y169-E466 VanDerWaalsContact CZ-OE1 3.3Å; Y169-E466 WeakPolarHBondContact OH-CG 3.29Å; Y169-E466 PolarHBondContact OH-OE1 3.25Å; A411-E466 HydrophobicContact CB-CG 4.25Å; V462-E466 WeakPolarHBondContact O-CG 3.41Å; V462-E466 PolarHBondContact O-N 2.73Å; V462-E466 VanDerWaalsContact O-N 3.15Å; E464-E466 PolarHBondContact O-N 3.33Å
467	Q	94.5	Very high	96.5	Very high	164 Å²	164	47.8 Å²	47.8	77%	0.766	24%	0.24	S	C	*	.	H	α-helix	trans	-104	1.7	-177.1	-57.6	-175.8	4.2	0	0	112	E464 A465 K469	E464-Q467 PolarHBondContact O-N 2.76Å; A465-Q467 PolarHBondContact O-N 2.93Å; Q467-K469 PolarHBondContact O-N 3.48Å
468	W	96.5	Very high	96.5	Very high	22 Å²	22	51.2 Å²	51.2	8%	0.083	26%	0.261	C	S	.	.			trans	-67	134.7	-172.7	-166.6	-100.4	0	0	0	111.6	L415 D419 H422 I423 K426 E464 A465 V471 Y612	L415-W468 HydrophobicContact CD2-CB 3.83Å; L415-W468 HydrophobicContact CD2-CG 3.7Å; D419-W468 VanDerWaalsContact CG-NE1 3.3Å; D419-W468 PolarHBondContact OD1-NE1 3.5Å; H422-W468 HydrophobicContact CB-CH2 3.65Å; H422-W468 HydrophobicContact CB-CZ2 3.45Å; H422-W468 VanDerWaalsContact CB-CZ2 3.45Å; I423-W468 HydrophobicContact CD1-CB 4.21Å; I423-W468 HydrophobicContact CD1-CD2 3.86Å; I423-W468 HydrophobicContact CD1-CE3 4.13Å; I423-W468 HydrophobicContact CD1-CG 3.9Å; I423-W468 HydrophobicContact CG1-CD2 3.66Å; I423-W468 HydrophobicContact CG1-CE3 3.56Å; I423-W468 HydrophobicContact CG1-CG 4.26Å; I423-W468 HydrophobicContact CG1-CH2 4.03Å; I423-W468 HydrophobicContact CG1-CZ2 4.18Å; I423-W468 HydrophobicContact CG1-CZ3 3.74Å; K426-W468 HydrophobicContact CD-CZ3 4.06Å; E464-W468 HydrophobicContact CG-CE3 3.7Å; E464-W468 HydrophobicContact CG-CZ3 3.81Å; E464-W468 WeakPolarHBondContact O-CB 3.08Å; E464-W468 PolarHBondContact O-N 3.09Å; E464-W468 VanDerWaalsContact OE1-CZ3 3.26Å; E464-W468 WeakPolarHBondContact OE1-CZ3 3.28Å; A465-W468 WeakPolarHBondContact O-CB 3.19Å; A465-W468 PolarHBondContact O-N 3.41Å; A465-W468 VanDerWaalsContact O-N 3.16Å; W468-V471 HydrophobicContact CZ2-CG1 3.79Å; W468-Y612 HydrophobicContact CH2-CD1 4.03Å; W468-Y612 AromaticContact CH2-CE1 3.46Å; W468-Y612 HydrophobicContact CH2-CE1 3.46Å; W468-Y612 VanDerWaalsContact CH2-CE1 3.46Å; W468-Y612 HydrophobicContact CZ2-CE1 4.03Å; W468-Y612 HydrophobicContact CZ3-CE1 4.34Å
469	K	93.6	Very high	96.2	Very high	157 Å²	157	52 Å²	52	68%	0.683	27%	0.265	S	S	*	.			trans	-107.2	131.6	167.7	-65.8	-176.3	-178.9	-179.1	0	108.1	Q467 V471	Q467-K469 PolarHBondContact O-N 3.48Å; K469-V471 PolarHBondContact O-N 2.87Å
470	Q	94.6	Very high	95.5	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-50.1	132	179	-178	176.4	-11.2	0	0	111	T416 D419	T416-Q470 HydrophobicContact CG2-CG 4.18Å; D419-Q470 WeakPolarHBondContact OD1-CA 3.19Å
471	V	96.6	Very high	94.2	Very high	5 Å²	5	54 Å²	54	3%	0.03	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-66	155.8	177.7	-62.5	0	0	0	0	111.4	R418 D419 H422 W468 K469 P611	R418-V471 HydrophobicContact CB-CG2 4.3Å; D419-V471 WeakPolarHBondContact OD1-CG2 2.92Å; D419-V471 PolarHBondContact OD1-N 3.43Å; H422-V471 HydrophobicContact CB-CG1 4.41Å; W468-V471 HydrophobicContact CZ2-CG1 3.79Å; K469-V471 PolarHBondContact O-N 2.87Å; V471-P611 HydrophobicContact CB-CB 4.42Å; V471-P611 HydrophobicContact CG1-CB 4.09Å
472	P	95.8	Very high	92.6	Very high	41 Å²	41	58.2 Å²	58.2	27%	0.266	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-55	161.2	175.2	-24.6	33.4	0	0	0	113.4	R418 Q474 T607 V609	R418-P472 PolarHBondContact NH1-O 2.9Å; R418-P472 PolarHBondContact NH2-O 2.59Å; P472-Q474 PolarHBondContact O-N 2.78Å; P472-T607 HydrophobicContact CB-CG2 3.85Å; P472-T607 HydrophobicContact CG-CG2 4.25Å; P472-V609 HydrophobicContact CG-CB 4.44Å
473	A	93.6	Very high	91.6	Very high	71 Å²	71	67.7 Å²	67.7	59%	0.587	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-54.3	138.8	176.3	0	0	0	0	0	111.2	H475	A473-H475 PolarHBondContact O-N 3.35Å
474	Q	96.4	Very high	90.9	Very high	51 Å²	51	68.2 Å²	68.2	24%	0.238	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-72.4	130.2	179.1	-159.6	177.2	45.8	0	0	109.8	R418 P472 E515	R418-Q474 VanDerWaalsContact CZ-CB 3.41Å; P472-Q474 PolarHBondContact O-N 2.78Å; Q474-E515 PolarHBondContact NE2-OE2 3.07Å
475	H	97.3	Very high	90.6	Very high	32 Å²	32	71.6 Å²	71.6	15%	0.148	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.8	168.4	-69.1	-172	0	0	0	109.6	A473 A507 K510 V511 G606	A473-H475 PolarHBondContact O-N 3.35Å; H475-A507 PolarHBondContact CE1-O 2.95Å; H475-A507 VanDerWaalsContact CE1-O 3.24Å; H475-K510 PolarHBondContact ND1-O 3.35Å; H475-V511 HydrophobicContact CB-CG2 3.78Å; H475-G606 PolarHBondContact N-O 2.88Å; H475-G606 PolarHBondContact O-N 3.45Å; H475-G606 VanDerWaalsContact O-N 3.16Å
476	V	97.6	Very high	90.4	Very high	50 Å²	50	75.3 Å²	75.3	30%	0.303	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112	178.2	-173	0	0	0	0	108.3	V478 V603 Y605	V476-V478 HydrophobicContact CG1-CG2 4.45Å; V476-V603 HydrophobicContact CG1-CG1 3.68Å; V476-Y605 HydrophobicContact CB-CD1 4.4Å; V476-Y605 HydrophobicContact CB-CE1 4.24Å; V476-Y605 HydrophobicContact CG1-CD1 4.16Å; V476-Y605 HydrophobicContact CG1-CE1 3.68Å; V476-Y605 HydrophobicContact CG2-CD1 3.65Å; V476-Y605 HydrophobicContact CG2-CE1 3.56Å
477	C	97.3	Very high	90.3	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119	176.8	175.5	0	0	0	0	109.9	E479 C503 L509 V511 V603 L604	C477-E479 VanDerWaalsContact SG-CG 3.55Å; C477-C503 WeakPolarHBondContact CA-SG 3.33Å; C477-C503 HydrophobicContact CB-CB 3.78Å; C477-C503 WeakPolarHBondContact CB-SG 3.29Å; C477-C503 WeakPolarHBondContact SG-CB 3.47Å; C477-C503 PolarHBondContact SG-N 3.46Å; C477-C503 CovalentContact SG-SG 2.04Å; C477-C503 PolarHBondContact SG-SG 2.81Å; C477-L509 WeakPolarHBondContact CB-O 3.22Å; C477-V511 HydrophobicContact CB-CB 4.3Å; C477-V511 HydrophobicContact CB-CG2 3.89Å; C477-V603 WeakPolarHBondContact O-CA 3.38Å; C477-L604 HydrophobicContact CB-CB 4.24Å; C477-L604 PolarHBondContact N-O 2.8Å; C477-L604 PolarHBondContact O-N 2.61Å
478	V	96.1	Very high	90.3	Very high	74 Å²	74	67 Å²	67	45%	0.448	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.2	177.4	-177.9	0	0	0	0	109	V476 V603	V476-V478 HydrophobicContact CG1-CG2 4.45Å; V478-V603 HydrophobicContact CG1-CG2 4.44Å; V478-V603 HydrophobicContact CG2-CG1 4.13Å; V478-V603 HydrophobicContact CG2-CG2 4.36Å
479	E	90.7	Very high	90	Very high	16 Å²	16	73.1 Å²	73.1	8%	0.075	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	99.2	-175.7	-74.3	-87.4	-156.9	0	0	108.3	C477 A481 Y498 A500 T501 G502 L602	C477-E479 VanDerWaalsContact SG-CG 3.55Å; E479-A481 PolarHBondContact O-N 3.05Å; E479-Y498 HydrophobicContact CB-CE1 3.71Å; E479-Y498 HydrophobicContact CG-CE1 4.32Å; E479-Y498 WeakPolarHBondContact OE2-CE1 3.46Å; E479-Y498 PolarHBondContact OE2-OH 3.41Å; E479-A500 HydrophobicContact CG-CB 4.41Å; E479-T501 PolarHBondContact OE1-N 2.77Å; E479-T501 PolarHBondContact OE1-OG1 3.14Å; E479-G502 PolarHBondContact OE1-N 3.03Å; E479-L602 HydrophobicContact CB-CB 4.11Å; E479-L602 PolarHBondContact N-O 2.64Å; E479-L602 PolarHBondContact O-N 2.51Å
480	T	80.9	Confident	89.8	Confident	104 Å²	104	67.5 Å²	67.5	64%	0.638	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	106.7	-180	26.8	0	0	0	0	110.9	Y498	T480-Y498 WeakPolarHBondContact O-CE2 3.37Å
481	A	71.1	Confident	89.5	Confident	5 Å²	5	67.9 Å²	67.9	4%	0.041	34%	0.344	C	S	.	.			trans	-67.4	155.5	169.6	0	0	0	0	0	111.2	E479 R483 Y498 W600	E479-A481 PolarHBondContact O-N 3.05Å; A481-R483 PolarHBondContact O-N 3.16Å; A481-Y498 VanDerWaalsContact CA-CD2 3.48Å; A481-Y498 HydrophobicContact CB-CD2 3.6Å; A481-Y498 HydrophobicContact CB-CE2 4.2Å; A481-Y498 HydrophobicContact CB-CG 3.92Å; A481-W600 HydrophobicContact CB-CD2 3.67Å; A481-W600 HydrophobicContact CB-CE3 4.18Å; A481-W600 HydrophobicContact CB-CG 4.12Å; A481-W600 HydrophobicContact CB-CH2 4.17Å; A481-W600 HydrophobicContact CB-CZ2 3.63Å; A481-W600 HydrophobicContact CB-CZ3 4.43Å; A481-W600 WeakPolarHBondContact CB-O 3.28Å; A481-W600 PolarHBondContact N-O 3.47Å
482	D	64.8	Low	89.2	Confident	91 Å²	91	72.9 Å²	72.9	49%	0.487	37%	0.367	S	S	.	.			trans	-53.9	137	-171.5	-166.5	-6.1	0	0	0	112.6	Q484	D482-Q484 PolarHBondContact O-N 3.08Å; D482-Q484 PolarHBondContact OD1-N 3.29Å; D482-Q484 VanDerWaalsContact OD2-CG 3.23Å; D482-Q484 WeakPolarHBondContact OD2-CG 3.38Å; D482-Q484 PolarHBondContact OD2-NE2 3.26Å
483	R	76.4	Confident	89.1	Confident	198 Å²	198	75.3 Å²	75.3	75%	0.747	38%	0.377	S	S	*	.			trans	-74.9	20.4	177.4	-74.5	-177.6	162.1	169.9	0.2	113.2	A481 I485 E599	A481-R483 PolarHBondContact O-N 3.16Å; R483-I485 PolarHBondContact O-N 3.47Å; R483-E599 IonicContact NE-OE2 3.49Å
484	Q	82.4	Confident	89.2	Confident	106 Å²	106	72.7 Å²	72.7	50%	0.495	35%	0.354	S	S	.	.			trans	-67.7	117.4	176.4	-80.6	-178.3	21.2	0	0	110.8	D482 R486	D482-Q484 PolarHBondContact O-N 3.08Å; D482-Q484 PolarHBondContact OD1-N 3.29Å; D482-Q484 VanDerWaalsContact OD2-CG 3.23Å; D482-Q484 WeakPolarHBondContact OD2-CG 3.38Å; D482-Q484 PolarHBondContact OD2-NE2 3.26Å; Q484-R486 PolarHBondContact O-N 3.14Å
485	I	91.4	Very high	89.2	Confident	112 Å²	112	76.2 Å²	76.2	57%	0.574	37%	0.365	S	S	*	.			trans	-67.7	116.2	174.8	-59.7	176.6	0	0	0	108.9	R483 K596 L597	R483-I485 PolarHBondContact O-N 3.47Å; I485-K596 HydrophobicContact CG2-CB 4.16Å; I485-K596 HydrophobicContact CG2-CD 4.15Å; I485-K596 HydrophobicContact CG2-CG 4.44Å; I485-L597 CarbonylContact C-O 3.58Å; I485-L597 VanDerWaalsContact CA-O 3.32Å; I485-L597 WeakPolarHBondContact CA-O 3.14Å
486	R	93.7	Very high	89	Confident	78 Å²	78	75 Å²	75	29%	0.294	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.2	175.3	-60.9	179.9	-175.5	-94.2	-11.7	109.9	Q484 V494 R495 S496 K596 L597	Q484-R486 PolarHBondContact O-N 3.14Å; R486-V494 HydrophobicContact CB-CG1 3.91Å; R486-R495 PolarHBondContact NH1-O 3.16Å; R486-S496 PolarHBondContact NE-OG 2.97Å; R486-K596 WeakPolarHBondContact O-CA 3.15Å; R486-L597 HydrophobicContact CB-CB 4.29Å; R486-L597 PolarHBondContact N-O 2.78Å; R486-L597 PolarHBondContact O-N 3.47Å
487	T	94.8	Very high	88.9	Confident	61 Å²	61	75.5 Å²	75.5	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.5	177.1	-58.2	0	0	0	0	109.7	R489 V494 P594	T487-R489 HydrophobicContact CG2-CG 4.14Å; T487-V494 WeakPolarHBondContact O-CG2 3.23Å; T487-P594 HydrophobicContact CG2-CB 3.61Å; T487-P594 HydrophobicContact CG2-CG 3.74Å
488	I	94.2	Very high	88.8	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.8	175	-56.2	163.1	0	0	0	107.1	V494 I523 L531 I581 D583 P594 G595 L597	I488-V494 HydrophobicContact CB-CG2 4.22Å; I488-V494 HydrophobicContact CG1-CG2 3.92Å; I488-V494 HydrophobicContact CG2-CG2 4.43Å; I488-I523 HydrophobicContact CD1-CG2 3.86Å; I488-L531 HydrophobicContact CG2-CD2 4.32Å; I488-I581 HydrophobicContact CD1-CD1 4.49Å; I488-I581 HydrophobicContact CD1-CG2 4.04Å; I488-I581 HydrophobicContact CG1-CG2 4.45Å; I488-I581 HydrophobicContact CG2-CG2 4.47Å; I488-D583 HydrophobicContact CG2-CB 3.67Å; I488-P594 WeakPolarHBondContact O-CB 3.48Å; I488-G595 PolarHBondContact N-O 3.03Å; I488-G595 PolarHBondContact O-N 2.95Å; I488-L597 HydrophobicContact CD1-CB 4.31Å
489	R	91.1	Very high	88.7	Confident	151 Å²	151	81.8 Å²	81.8	57%	0.57	38%	0.383	S	S	*	.			trans	-102.1	147.6	177.5	-64.7	-176	-178.4	126.9	-0.5	109.7	T487 E491 H492	T487-R489 HydrophobicContact CG2-CG 4.14Å; R489-E491 PolarHBondContact O-N 2.61Å; R489-H492 HydrophobicContact CB-CB 4.08Å; R489-H492 PolarHBondContact O-N 2.82Å
490	P	89.5	Confident	89	Confident	39 Å²	39	81.1 Å²	81.1	25%	0.253	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	135.3	171.7	-30	37.5	0	0	0	112.2	H492 D583 P585	P490-H492 PolarHBondContact O-N 3.21Å; P490-H492 PolarHBondContact O-ND1 3.38Å; P490-D583 WeakPolarHBondContact CA-OD2 3.34Å; P490-P585 HydrophobicContact CB-CG 3.71Å; P490-P585 HydrophobicContact CG-CG 4.42Å
491	E	89	Confident	89.7	Confident	140 Å²	140	79.4 Å²	79.4	65%	0.654	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	14	177.4	-54.7	-175.8	173.1	0	0	115.1	R489 D583	R489-E491 PolarHBondContact O-N 2.61Å; E491-D583 PolarHBondContact N-O 3.09Å
492	H	89.9	Confident	90.9	Very high	110 Å²	110	79.1 Å²	79.1	51%	0.509	37%	0.368	S	S	.	.			trans	-111.9	134	176.6	-70	67.9	0	0	0	110.8	R489 P490 V494	R489-H492 HydrophobicContact CB-CB 4.08Å; R489-H492 PolarHBondContact O-N 2.82Å; P490-H492 PolarHBondContact O-N 3.21Å; P490-H492 PolarHBondContact O-ND1 3.38Å; H492-V494 PolarHBondContact O-N 2.89Å
493	L	93.8	Very high	92.4	Very high	92 Å²	92	75.4 Å²	75.4	48%	0.482	35%	0.349	S	S	.	.			trans	-77.3	117.9	173	-178.8	64.8	0	0	0	110.4	E580 Y582	L493-E580 HydrophobicContact CD1-CB 3.95Å; L493-E580 HydrophobicContact CD1-CG 4.32Å; L493-Y582 HydrophobicContact CB-CD2 4.21Å; L493-Y582 HydrophobicContact CD1-CD2 4.43Å
494	V	95.4	Very high	93.2	Very high	16 Å²	16	69.4 Å²	69.4	10%	0.097	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114.3	165.4	177.8	0	0	0	0	108.2	R486 T487 I488 H492 E580 I581	R486-V494 HydrophobicContact CB-CG1 3.91Å; T487-V494 WeakPolarHBondContact O-CG2 3.23Å; I488-V494 HydrophobicContact CB-CG2 4.22Å; I488-V494 HydrophobicContact CG1-CG2 3.92Å; I488-V494 HydrophobicContact CG2-CG2 4.43Å; H492-V494 PolarHBondContact O-N 2.89Å; V494-E580 WeakPolarHBondContact O-CA 3.49Å; V494-I581 HydrophobicContact CB-CB 4.3Å; V494-I581 PolarHBondContact N-O 3.49Å; V494-I581 PolarHBondContact O-N 3.08Å
495	R	95.3	Very high	93.7	Very high	126 Å²	126	71.1 Å²	71.1	48%	0.475	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.2	175.7	-172	174	177	-89.1	-2.7	110	R486 V497 I578 L579 E580	R486-R495 PolarHBondContact NH1-O 3.16Å; R495-V497 VanDerWaalsContact CZ-CG2 3.47Å; R495-I578 HydrophobicContact CG-CG2 3.75Å; R495-I578 VanDerWaalsContact NH2-CD1 3.29Å; R495-L579 WeakPolarHBondContact CA-O 3.43Å; R495-E580 HydrophobicContact CG-CG 4.48Å
496	S	94.3	Very high	93.8	Very high	6 Å²	6	68.7 Å²	68.7	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.2	173.5	-169.8	0	0	0	0	109.1	R486 L579 W600	R486-S496 PolarHBondContact NE-OG 2.97Å; S496-L579 PolarHBondContact N-O 3.43Å; S496-L579 PolarHBondContact O-N 2.84Å; S496-W600 PolarHBondContact OG-NE1 3.37Å; S496-W600 VanDerWaalsContact OG-NE1 3.1Å
497	V	94.3	Very high	93.6	Very high	60 Å²	60	68.4 Å²	68.4	36%	0.364	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.2	177.6	-173.4	0	0	0	0	108.8	R495 D576 W577 I578	R495-V497 VanDerWaalsContact CZ-CG2 3.47Å; V497-D576 HydrophobicContact CG1-CB 4.06Å; V497-W577 CarbonylContact C-O 3.44Å; V497-W577 WeakPolarHBondContact CA-O 3.41Å; V497-I578 HydrophobicContact CG1-CG1 4.47Å; V497-I578 HydrophobicContact CG2-CG1 4.27Å; V497-I578 HydrophobicContact CG2-CG2 4.43Å
498	Y	94.9	Very high	93.4	Very high	50 Å²	50	71.8 Å²	71.8	20%	0.196	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.5	172.1	-176.5	-94	0	0	0	109.6	E479 T480 A481 A500 W577 L602	E479-Y498 HydrophobicContact CB-CE1 3.71Å; E479-Y498 HydrophobicContact CG-CE1 4.32Å; E479-Y498 WeakPolarHBondContact OE2-CE1 3.46Å; E479-Y498 PolarHBondContact OE2-OH 3.41Å; T480-Y498 WeakPolarHBondContact O-CE2 3.37Å; A481-Y498 VanDerWaalsContact CA-CD2 3.48Å; A481-Y498 HydrophobicContact CB-CD2 3.6Å; A481-Y498 HydrophobicContact CB-CE2 4.2Å; A481-Y498 HydrophobicContact CB-CG 3.92Å; Y498-A500 HydrophobicContact CD1-CB 4.15Å; Y498-A500 HydrophobicContact CE1-CB 4.11Å; Y498-A500 PolarHBondContact O-N 3.46Å; Y498-W577 PolarHBondContact N-O 3.49Å; Y498-W577 PolarHBondContact O-N 2.76Å; Y498-L602 HydrophobicContact CD1-CD1 3.91Å
499	K	95.5	Very high	93.4	Very high	156 Å²	156	75.2 Å²	75.2	68%	0.678	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	96.7	178.8	-173.2	171.9	-176.3	178.2	0	109.3	G575 D576	K499-G575 CarbonylContact C-O 3.57Å; K499-G575 WeakPolarHBondContact CA-O 3.39Å; K499-D576 WeakPolarHBondContact CG-OD1 3.46Å
500	A	95.8	Very high	93.7	Very high	3 Å²	3	71.6 Å²	71.6	3%	0.025	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.2	180	0	0	0	0	0	111	E479 Y498 A574 G575 W577 L604	E479-A500 HydrophobicContact CG-CB 4.41Å; Y498-A500 HydrophobicContact CD1-CB 4.15Å; Y498-A500 HydrophobicContact CE1-CB 4.11Å; Y498-A500 PolarHBondContact O-N 3.46Å; A500-A574 WeakPolarHBondContact O-CA 3.46Å; A500-G575 PolarHBondContact N-O 3.08Å; A500-G575 PolarHBondContact O-N 3.4Å; A500-W577 VanDerWaalsContact CB-CD1 3.49Å; A500-L604 HydrophobicContact CB-CD1 4.28Å
501	T	95.9	Very high	94.1	Very high	67 Å²	67	69.9 Å²	69.9	41%	0.411	36%	0.363	S	S	.	.			trans	-93.9	-18.6	174.8	65.6	0	0	0	0	112.1	E479 C503	E479-T501 PolarHBondContact OE1-N 2.77Å; E479-T501 PolarHBondContact OE1-OG1 3.14Å; T501-C503 VanDerWaalsContact C-N 3.29Å; T501-C503 PolarHBondContact OG1-N 2.86Å; T501-C503 VanDerWaalsContact OG1-N 3.14Å
502	G	95.9	Very high	94.5	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.345	C	S	.	.			trans	71.8	27.8	-168.8	0	0	0	0	0	111.7	E479 S504 K510 V511	E479-G502 PolarHBondContact OE1-N 3.03Å; G502-S504 VanDerWaalsContact C-N 3.27Å; G502-S504 PolarHBondContact O-N 2.86Å; G502-K510 WeakPolarHBondContact O-CA 3.31Å; G502-V511 PolarHBondContact O-N 2.81Å
503	C	96.3	Very high	94.9	Very high	12 Å²	12	63 Å²	63	8%	0.081	33%	0.331	C	S	.	.	S	Bend	trans	53.3	45.1	-176.5	-59.1	0	0	0	0	111.7	C477 T501 D505 N506 L509 K510	C477-C503 WeakPolarHBondContact CA-SG 3.33Å; C477-C503 HydrophobicContact CB-CB 3.78Å; C477-C503 WeakPolarHBondContact CB-SG 3.29Å; C477-C503 WeakPolarHBondContact SG-CB 3.47Å; C477-C503 PolarHBondContact SG-N 3.46Å; C477-C503 CovalentContact SG-SG 2.04Å; C477-C503 PolarHBondContact SG-SG 2.81Å; T501-C503 VanDerWaalsContact C-N 3.29Å; T501-C503 PolarHBondContact OG1-N 2.86Å; T501-C503 VanDerWaalsContact OG1-N 3.14Å; C503-D505 VanDerWaalsContact C-OD1 3.23Å; C503-D505 WeakPolarHBondContact CA-OD1 3.34Å; C503-D505 PolarHBondContact O-N 3.33Å; C503-N506 PolarHBondContact O-N 3.24Å; C503-N506 VanDerWaalsContact O-N 3.13Å; C503-L509 HydrophobicContact CB-CB 3.96Å; C503-K510 WeakPolarHBondContact O-CA 3.27Å
504	S	93.5	Very high	95.1	Very high	73 Å²	73	58.8 Å²	58.8	51%	0.51	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.3	-174.9	57.6	0	0	0	0	113.5	G502	G502-S504 VanDerWaalsContact C-N 3.27Å; G502-S504 PolarHBondContact O-N 2.86Å
505	D	92.9	Very high	95.3	Very high	141 Å²	141	58 Å²	58	75%	0.754	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.6	176.3	62.8	-34.5	0	0	0	113.6	C503	C503-D505 VanDerWaalsContact C-OD1 3.23Å; C503-D505 WeakPolarHBondContact CA-OD1 3.34Å; C503-D505 PolarHBondContact O-N 3.33Å
506	N	93.3	Very high	95.4	Very high	61 Å²	61	52.1 Å²	52.1	33%	0.326	28%	0.282	S	S	.	.			trans	-120.6	105.5	-179.4	-172.4	-28	0	0	0	111.6	C503 N508 L509 K510	C503-N506 PolarHBondContact O-N 3.24Å; C503-N506 VanDerWaalsContact O-N 3.13Å; N506-N508 PolarHBondContact O-N 3.35Å; N506-N508 WeakPolarHBondContact OD1-CB 3.14Å; N506-N508 PolarHBondContact OD1-N 3.08Å; N506-L509 HydrophobicContact CB-CB 4.22Å; N506-L509 HydrophobicContact CB-CD1 4.36Å; N506-L509 HydrophobicContact CB-CG 4.36Å; N506-L509 WeakPolarHBondContact ND2-CD1 3.46Å; N506-L509 CarbonylContact O-C 3.57Å; N506-L509 PolarHBondContact O-N 3.47Å; N506-K510 WeakPolarHBondContact O-CB 3.45Å; N506-K510 PolarHBondContact O-N 3.43Å
507	A	90.4	Very high	95.6	Very high	73 Å²	73	51.9 Å²	51.9	60%	0.603	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.2	-178.4	0	0	0	0	0	114.4	H475	H475-A507 PolarHBondContact CE1-O 2.95Å; H475-A507 VanDerWaalsContact CE1-O 3.24Å
508	N	91.3	Very high	95.8	Very high	131 Å²	131	49.3 Å²	49.3	70%	0.701	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.3	-179.2	-64.6	-32.4	0	0	0	113.5	N506	N506-N508 PolarHBondContact O-N 3.35Å; N506-N508 WeakPolarHBondContact OD1-CB 3.14Å; N506-N508 PolarHBondContact OD1-N 3.08Å
509	L	93.8	Very high	96	Very high	73 Å²	73	47 Å²	47	38%	0.382	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-7	179	-56	179.7	0	0	0	112.1	C477 C503 N506 V511	C477-L509 WeakPolarHBondContact CB-O 3.22Å; C503-L509 HydrophobicContact CB-CB 3.96Å; N506-L509 HydrophobicContact CB-CB 4.22Å; N506-L509 HydrophobicContact CB-CD1 4.36Å; N506-L509 HydrophobicContact CB-CG 4.36Å; N506-L509 WeakPolarHBondContact ND2-CD1 3.46Å; N506-L509 CarbonylContact O-C 3.57Å; N506-L509 PolarHBondContact O-N 3.47Å; L509-V511 PolarHBondContact O-N 3.34Å
510	K	97.3	Very high	96	Very high	74 Å²	74	42.8 Å²	42.8	32%	0.322	24%	0.235	S	C	.	.			trans	-61.8	119.7	-173	-176.1	177.2	-174.6	-176.8	0	111.8	H475 G502 C503 N506 I512 S608	H475-K510 PolarHBondContact ND1-O 3.35Å; G502-K510 WeakPolarHBondContact O-CA 3.31Å; C503-K510 WeakPolarHBondContact O-CA 3.27Å; N506-K510 WeakPolarHBondContact O-CB 3.45Å; N506-K510 PolarHBondContact O-N 3.43Å; K510-I512 HydrophobicContact CG-CG1 4.29Å; K510-S608 WeakPolarHBondContact O-CB 3.45Å
511	V	97.9	Very high	96	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	23%	0.234	C	C	.	.			trans	-113.4	118.3	173.2	178.5	0	0	0	0	108.3	H475 C477 G502 L509 L514 A573 L604	H475-V511 HydrophobicContact CB-CG2 3.78Å; C477-V511 HydrophobicContact CB-CB 4.3Å; C477-V511 HydrophobicContact CB-CG2 3.89Å; G502-V511 PolarHBondContact O-N 2.81Å; L509-V511 PolarHBondContact O-N 3.34Å; V511-L514 HydrophobicContact CG1-CD2 4.11Å; V511-A573 HydrophobicContact CG1-CB 4.1Å; V511-A573 VanDerWaalsContact O-CB 3.3Å; V511-A573 WeakPolarHBondContact O-CB 3.46Å; V511-L604 HydrophobicContact CG1-CB 4.48Å
512	I	97.2	Very high	96	Very high	52 Å²	52	40.3 Å²	40.3	27%	0.267	22%	0.22	S	C	.	.	S	Bend	trans	-100.6	-49.8	172.8	-58.7	-172.4	0	0	0	109.8	K510 K572 A573 T607 S608	K510-I512 HydrophobicContact CG-CG1 4.29Å; I512-K572 CarbonylContact O-C 3.55Å; I512-K572 VanDerWaalsContact O-CA 3.26Å; I512-K572 WeakPolarHBondContact O-CA 3.36Å; I512-A573 PolarHBondContact O-N 2.82Å; I512-T607 PolarHBondContact N-O 3.43Å; I512-S608 WeakPolarHBondContact CD1-O 3.32Å
513	Y	97.9	Very high	96	Very high	55 Å²	55	40.3 Å²	40.3	22%	0.216	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.8	-177.2	-59.4	-82.9	0	0	0	109.9	E571 G606 T607 H610	Y513-E571 WeakPolarHBondContact CA-O 3.5Å; Y513-G606 CarbonylContact O-C 3.56Å; Y513-G606 VanDerWaalsContact O-CA 3.23Å; Y513-G606 WeakPolarHBondContact O-CA 3.25Å; Y513-T607 PolarHBondContact N-O 2.63Å; Y513-T607 PolarHBondContact O-N 2.91Å; Y513-H610 AromaticContact CD1-CD2 3.97Å; Y513-H610 HydrophobicContact CD2-CB 4.29Å; Y513-H610 HydrophobicContact CE1-CB 4.36Å; Y513-H610 AromaticContact CE1-CD2 3.5Å; Y513-H610 VanDerWaalsContact CE2-CA 3.47Å; Y513-H610 HydrophobicContact CE2-CB 3.74Å; Y513-H610 VanDerWaalsContact CE2-N 3.26Å; Y513-H610 AromaticContact CZ-CD2 3.75Å
514	L	98.6	Very high	96	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	146.3	-173.8	-65.8	170.6	0	0	0	112.9	V511 V517 C568 G570 E571 A573 W577 L604	V511-L514 HydrophobicContact CG1-CD2 4.11Å; L514-V517 HydrophobicContact CD1-CG2 3.93Å; L514-V517 HydrophobicContact CD2-CG2 3.93Å; L514-V517 HydrophobicContact CG-CG2 4.37Å; L514-C568 WeakPolarHBondContact CB-O 3.47Å; L514-C568 HydrophobicContact CD1-CB 3.98Å; L514-G570 PolarHBondContact O-N 2.05Å; L514-E571 HydrophobicContact CD1-CB 4.24Å; L514-E571 WeakPolarHBondContact CG-O 3.39Å; L514-E571 PolarHBondContact N-O 2.88Å; L514-A573 HydrophobicContact CD2-CB 3.64Å; L514-A573 HydrophobicContact CG-CB 4.02Å; L514-W577 HydrophobicContact CD1-CH2 3.85Å; L514-W577 HydrophobicContact CD1-CZ2 3.75Å; L514-L604 HydrophobicContact CD2-CB 3.99Å; L514-L604 HydrophobicContact CD2-CD2 4.11Å; L514-L604 HydrophobicContact CD2-CG 4.49Å
515	E	98.6	Very high	96	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-80.5	162.8	-71	165.5	-169.1	0	0	108	R418 H422 Q474 W569 Y605	R418-E515 IonicContact CZ-OE1 3.22Å; R418-E515 IonicContact CZ-OE2 3.91Å; R418-E515 IonicContact NE-OE1 2.71Å; R418-E515 PolarHBondContact NE-OE1 2.01Å; R418-E515 IonicContact NE-OE2 2.86Å; R418-E515 PolarHBondContact NE-OE2 2.81Å; R418-E515 IonicContact NH2-OE1 3.95Å; R418-E515 PolarHBondContact NH2-OE1 2.79Å; R418-E515 IonicContact NH2-OE2 3.82Å; H422-E515 IonicContact CE1-OE1 3.48Å; H422-E515 IonicContact NE2-OE1 3.78Å; H422-E515 PolarHBondContact NE2-OE1 3.06Å; H422-E515 VanDerWaalsContact NE2-OE1 3.11Å; Q474-E515 PolarHBondContact NE2-OE2 3.07Å; E515-W569 HydrophobicContact CB-CD2 4.4Å; E515-W569 HydrophobicContact CB-CE3 4.4Å; E515-W569 HydrophobicContact CB-CH2 3.99Å; E515-W569 HydrophobicContact CB-CZ2 3.97Å; E515-W569 HydrophobicContact CB-CZ3 4.21Å; E515-W569 HydrophobicContact CG-CH2 4.3Å; E515-W569 HydrophobicContact CG-CZ2 3.83Å; E515-Y605 PolarHBondContact N-O 2.01Å
516	H	98.8	Very high	95.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.4	176.4	-42.3	84.7	0	0	0	111.1	I339 Q421 W569 Y605	I339-H516 HydrophobicContact CB-CB 4.22Å; I339-H516 HydrophobicContact CG2-CB 3.52Å; Q421-H516 PolarHBondContact OE1-CE1 2.61Å; Q421-H516 VanDerWaalsContact OE1-CE1 3.3Å; Q421-H516 PolarHBondContact OE1-NE2 2.59Å; H516-W569 AromaticContact CD2-CZ3 3.89Å; H516-W569 AromaticContact CE1-CH2 3.81Å; H516-W569 AromaticContact CE1-CZ3 3.87Å; H516-W569 AromaticContact NE2-CH2 3.81Å; H516-W569 AromaticContact NE2-CZ3 3.53Å; H516-Y605 HydrophobicContact CB-CD2 4.1Å; H516-Y605 HydrophobicContact CB-CG 4.36Å; H516-Y605 WeakPolarHBondContact O-CB 3.27Å; H516-Y605 PolarHBondContact O-N 2.91Å
517	V	98.7	Very high	95.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.5	170.2	176.3	0	0	0	0	108.7	L514 L535 M564 T565 C568 W577 L602 L604	L514-V517 HydrophobicContact CD1-CG2 3.93Å; L514-V517 HydrophobicContact CD2-CG2 3.93Å; L514-V517 HydrophobicContact CG-CG2 4.37Å; V517-L535 HydrophobicContact CG1-CD2 3.82Å; V517-M564 CarbonylContact O-C 3.54Å; V517-M564 WeakPolarHBondContact O-CA 3.38Å; V517-T565 HydrophobicContact CB-CG2 3.8Å; V517-T565 HydrophobicContact CG1-CG2 4.26Å; V517-T565 PolarHBondContact N-O 3.48Å; V517-T565 VanDerWaalsContact N-O 3.09Å; V517-T565 PolarHBondContact O-N 2.72Å; V517-C568 HydrophobicContact CG2-CB 4.34Å; V517-W577 HydrophobicContact CB-CH2 4.43Å; V517-W577 HydrophobicContact CG1-CH2 3.95Å; V517-W577 HydrophobicContact CG1-CZ3 3.94Å; V517-W577 HydrophobicContact CG2-CH2 3.77Å; V517-W577 HydrophobicContact CG2-CZ2 4.4Å; V517-W577 HydrophobicContact CG2-CZ3 4.48Å; V517-L602 HydrophobicContact CG1-CD2 4.25Å; V517-L604 HydrophobicContact CG1-CD2 3.98Å; V517-L604 HydrophobicContact CG2-CD2 4.12Å
518	V	98.4	Very high	96.1	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.2	178.6	172.4	0	0	0	0	110	I339 R520 E562 F563 M564 V603 Y605	I339-V518 HydrophobicContact CG2-CG2 4.01Å; V518-R520 HydrophobicContact CG1-CG 4.27Å; V518-E562 HydrophobicContact CG1-CB 3.7Å; V518-E562 HydrophobicContact CG1-CG 4.14Å; V518-F563 CarbonylContact C-O 3.53Å; V518-F563 VanDerWaalsContact CA-O 3.3Å; V518-F563 WeakPolarHBondContact CA-O 3.41Å; V518-M564 HydrophobicContact CG2-CB 4.12Å; V518-M564 HydrophobicContact CG2-CG 3.89Å; V518-V603 HydrophobicContact CB-CB 4.17Å; V518-V603 PolarHBondContact N-O 3.44Å; V518-V603 PolarHBondContact O-N 3.4Å; V518-Y605 HydrophobicContact CB-CE2 4.39Å; V518-Y605 HydrophobicContact CG2-CD2 4.47Å; V518-Y605 HydrophobicContact CG2-CE2 3.96Å
519	V	97.7	Very high	96.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	109.7	171.5	178.7	0	0	0	0	108.5	L535 L545 F563 L579 W600 S601 L602	V519-L535 HydrophobicContact CG2-CD1 4Å; V519-L535 HydrophobicContact CG2-CD2 3.59Å; V519-L535 HydrophobicContact CG2-CG 4.28Å; V519-L545 HydrophobicContact CB-CD1 3.88Å; V519-L545 HydrophobicContact CG1-CD1 4.36Å; V519-L545 HydrophobicContact CG2-CD1 3.72Å; V519-F563 PolarHBondContact N-O 2.76Å; V519-F563 PolarHBondContact O-N 2.89Å; V519-L579 HydrophobicContact CG1-CD1 4.33Å; V519-W600 HydrophobicContact CG1-CE3 4.09Å; V519-S601 WeakPolarHBondContact CA-O 3.46Å; V519-L602 HydrophobicContact CG2-CD2 3.93Å
520	R	96.4	Very high	96.3	Very high	68 Å²	68	19.1 Å²	19.1	26%	0.257	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.2	172.6	-46.3	-173	155.4	146.6	-1.8	108.7	V518 W561 E562 W600 S601 V603	V518-R520 HydrophobicContact CG1-CG 4.27Å; R520-W561 CarbonylContact C-O 3.48Å; R520-W561 WeakPolarHBondContact CA-O 3.3Å; R520-E562 HydrophobicContact CG-CG 4.11Å; R520-E562 IonicContact CZ-OE1 2.69Å; R520-E562 IonicContact NE-OE1 2.92Å; R520-E562 PolarHBondContact NE-OE1 3.26Å; R520-E562 IonicContact NH2-OE1 3.08Å; R520-E562 PolarHBondContact NH2-OE1 2.95Å; R520-W600 CarbonylContact O-C 3.35Å; R520-W600 WeakPolarHBondContact O-CA 3.34Å; R520-S601 WeakPolarHBondContact CB-OG 3.36Å; R520-S601 PolarHBondContact N-O 2.94Å; R520-S601 PolarHBondContact O-N 2.74Å; R520-V603 HydrophobicContact CG-CG2 4.15Å
521	I	95.1	Very high	96.3	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.9	-173.1	-157	169	0	0	0	113	I523 I533 F558 N560 W561 F563 L579 I581 L597 W600	I521-I523 HydrophobicContact CD1-CD1 3.61Å; I521-I523 HydrophobicContact CD1-CG1 3.96Å; I521-I523 HydrophobicContact CG1-CD1 4.11Å; I521-I523 HydrophobicContact CG1-CG1 3.91Å; I521-I533 HydrophobicContact CD1-CD1 4.49Å; I521-F558 HydrophobicContact CG2-CB 4.23Å; I521-N560 WeakPolarHBondContact O-CA 3.41Å; I521-N560 PolarHBondContact O-N 3.21Å; I521-N560 VanDerWaalsContact O-N 3.17Å; I521-W561 PolarHBondContact N-O 3.06Å; I521-W561 PolarHBondContact O-N 3.35Å; I521-F563 HydrophobicContact CG2-CD2 3.69Å; I521-F563 HydrophobicContact CG2-CE2 3.53Å; I521-L579 HydrophobicContact CD1-CD2 3.99Å; I521-I581 HydrophobicContact CD1-CD1 4.07Å; I521-L597 HydrophobicContact CD1-CD1 3.66Å; I521-L597 HydrophobicContact CG1-CD1 3.47Å; I521-L597 VanDerWaalsContact CG1-CD1 3.47Å; I521-W600 HydrophobicContact CB-CB 4.48Å; I521-W600 HydrophobicContact CG1-CB 4Å
522	T	96.1	Very high	96.3	Very high	18 Å²	18	16 Å²	16	11%	0.11	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	109.9	171	-61.1	0	0	0	0	109.3	F558 N560 K598 E599	T522-F558 CarbonylContact C-O 3.58Å; T522-F558 VanDerWaalsContact CA-O 3.28Å; T522-F558 WeakPolarHBondContact CA-O 3.34Å; T522-N560 PolarHBondContact OG1-N 2.81Å; T522-K598 HydrophobicContact CG2-CB 4.1Å; T522-K598 HydrophobicContact CG2-CD 4.04Å; T522-K598 HydrophobicContact CG2-CG 4.48Å; T522-K598 PolarHBondContact O-N 3.4Å; T522-E599 PolarHBondContact N-O 2.78Å; T522-E599 PolarHBondContact OG1-OE1 3.08Å
523	I	96.1	Very high	96.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133	177.8	-62.6	175.5	0	0	0	109.2	I488 I521 H525 L531 I533 G557 F558 I581 K596 L597	I488-I523 HydrophobicContact CD1-CG2 3.86Å; I521-I523 HydrophobicContact CD1-CD1 3.61Å; I521-I523 HydrophobicContact CD1-CG1 3.96Å; I521-I523 HydrophobicContact CG1-CD1 4.11Å; I521-I523 HydrophobicContact CG1-CG1 3.91Å; I523-H525 HydrophobicContact CG2-CB 4.15Å; I523-L531 HydrophobicContact CD1-CD1 4.27Å; I523-L531 HydrophobicContact CG2-CD1 3.96Å; I523-I533 HydrophobicContact CD1-CD1 3.98Å; I523-G557 CarbonylContact O-C 3.59Å; I523-G557 VanDerWaalsContact O-CA 3.28Å; I523-G557 WeakPolarHBondContact O-CA 3.38Å; I523-F558 PolarHBondContact N-O 3.07Å; I523-F558 PolarHBondContact O-N 2.87Å; I523-F558 VanDerWaalsContact O-O 3.06Å; I523-I581 HydrophobicContact CD1-CD1 3.92Å; I523-K596 WeakPolarHBondContact CA-O 3.49Å; I523-L597 HydrophobicContact CD1-CD1 4.48Å; I523-L597 HydrophobicContact CG1-CD1 3.86Å
524	T	95.6	Very high	96.4	Very high	53 Å²	53	12.2 Å²	12.2	33%	0.325	6%	0.064	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.5	160.6	52.4	0	0	0	0	109	G595 K596 K598	T524-G595 CarbonylContact O-C 3.43Å; T524-G595 VanDerWaalsContact O-CA 3.28Å; T524-G595 WeakPolarHBondContact O-CA 3.02Å; T524-K596 PolarHBondContact N-O 3.48Å; T524-K596 PolarHBondContact O-N 3.49Å; T524-K598 HydrophobicContact CG2-CD 4.41Å
525	H	94	Very high	96.4	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.028	6%	0.064	C	C	.	.			trans	-141.1	140.6	-178.5	-155.4	-102	0	0	0	110.8	I523 R527 L531 D583	I523-H525 HydrophobicContact CG2-CB 4.15Å; H525-R527 PolarHBondContact CE1-O 3.03Å; H525-R527 VanDerWaalsContact ND1-C 3.28Å; H525-R527 PolarHBondContact ND1-N 2.95Å; H525-R527 PolarHBondContact ND1-O 3.23Å; H525-R527 PolarHBondContact O-N 3Å; H525-L531 HydrophobicContact CB-CD1 4Å; H525-D583 IonicContact CE1-OD1 3.93Å; H525-D583 PolarHBondContact CE1-OD1 3.2Å; H525-D583 IonicContact CE1-OD2 2.97Å; H525-D583 IonicContact NE2-OD1 3.29Å; H525-D583 IonicContact NE2-OD2 2.72Å; H525-D583 PolarHBondContact NE2-OD2 3.01Å
526	P	91.9	Very high	96.4	Very high	29 Å²	29	13 Å²	13	19%	0.188	7%	0.069	C	C	.	.	S	Bend	trans	-69.1	-14.3	176.1	30	-39.6	0	0	0	113.8	M555 V593	P526-M555 WeakPolarHBondContact O-CG 3.23Å; P526-V593 WeakPolarHBondContact CG-O 3.34Å
527	R	92.6	Very high	96.4	Very high	11 Å²	11	13 Å²	13	4%	0.042	7%	0.07	C	C	.	.			trans	-157.6	103.4	171	-179.9	166.9	177.9	-126.7	5.4	111.4	H525 G529 D530 L550 D552 H553 S554 S586	H525-R527 PolarHBondContact CE1-O 3.03Å; H525-R527 VanDerWaalsContact ND1-C 3.28Å; H525-R527 PolarHBondContact ND1-N 2.95Å; H525-R527 PolarHBondContact ND1-O 3.23Å; H525-R527 PolarHBondContact O-N 3Å; R527-G529 VanDerWaalsContact C-N 3.31Å; R527-G529 PolarHBondContact O-N 2.86Å; R527-D530 IonicContact CZ-OD1 2.76Å; R527-D530 IonicContact NE-OD1 3.98Å; R527-D530 IonicContact NH1-OD1 3.19Å; R527-D530 PolarHBondContact NH1-OD1 3.43Å; R527-D530 IonicContact NH1-OD2 3.49Å; R527-D530 PolarHBondContact O-N 3.48Å; R527-L550 PolarHBondContact NH2-O 2.97Å; R527-D552 WeakPolarHBondContact CG-O 3.47Å; R527-H553 PolarHBondContact NE-ND1 3.41Å; R527-H553 VanDerWaalsContact NE-ND1 3.14Å; R527-H553 PolarHBondContact NH2-CE1 2.76Å; R527-H553 VanDerWaalsContact NH2-CE1 3.26Å; R527-S554 WeakPolarHBondContact CA-O 3.43Å; R527-S586 PolarHBondContact NH1-OG 2.88Å; R527-S586 PolarHBondContact NH2-OG 2.84Å
528	R	94.9	Very high	96.3	Very high	15 Å²	15	14.9 Å²	14.9	6%	0.057	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-58.8	-36.5	-171.3	-173.6	169.5	63.3	-167.1	0.5	114	K288 D530 L531 D552 S554 G557 F558	K288-R528 PolarHBondContact O-NH2 3.42Å; R528-D530 PolarHBondContact O-N 3.14Å; R528-L531 WeakPolarHBondContact O-CB 3.38Å; R528-L531 PolarHBondContact O-N 2.77Å; R528-L531 VanDerWaalsContact O-N 3.17Å; R528-D552 WeakPolarHBondContact CB-OD2 3.37Å; R528-D552 WeakPolarHBondContact CG-OD2 3.4Å; R528-D552 IonicContact CZ-OD1 3.58Å; R528-D552 IonicContact CZ-OD2 3.71Å; R528-D552 IonicContact NE-OD1 2.99Å; R528-D552 IonicContact NE-OD2 3.73Å; R528-D552 PolarHBondContact NE-OD2 2.98Å; R528-D552 IonicContact NH2-OD1 3.78Å; R528-D552 PolarHBondContact NH2-OD1 2.93Å; R528-D552 IonicContact NH2-OD2 2.91Å; R528-D552 PolarHBondContact NH2-OD2 3.39Å; R528-S554 WeakPolarHBondContact CB-O 3.3Å; R528-S554 PolarHBondContact N-O 3.12Å; R528-G557 WeakPolarHBondContact CD-O 3.27Å; R528-G557 PolarHBondContact NH1-O 2.65Å; R528-G557 VanDerWaalsContact NH1-O 3.16Å; R528-F558 HydrophobicContact CG-CD2 4.19Å; R528-F558 HydrophobicContact CG-CE1 4.43Å; R528-F558 HydrophobicContact CG-CE2 3.5Å; R528-F558 HydrophobicContact CG-CZ 3.64Å
529	G	95.1	Very high	96.2	Very high	4 Å²	4	17.2 Å²	17.2	4%	0.041	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-65.4	-14.7	-179.4	0	0	0	0	0	116.7	R527 L531 N548 R549 D552	R527-G529 VanDerWaalsContact C-N 3.31Å; R527-G529 PolarHBondContact O-N 2.86Å; G529-L531 VanDerWaalsContact C-N 3.26Å; G529-L531 PolarHBondContact O-N 2.84Å; G529-N548 WeakPolarHBondContact O-CA 3.01Å; G529-R549 VanDerWaalsContact CA-O 3.23Å; G529-R549 WeakPolarHBondContact CA-O 3.23Å; G529-R549 PolarHBondContact O-N 3.2Å; G529-D552 WeakPolarHBondContact CA-O 3.47Å; G529-D552 PolarHBondContact N-O 3.19Å
530	D	94.4	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-79.2	-10	176.2	-68.6	-22.3	0	0	0	112.8	R527 R528 N548 D583 T584 S586 R589	R527-D530 IonicContact CZ-OD1 2.76Å; R527-D530 IonicContact NE-OD1 3.98Å; R527-D530 IonicContact NH1-OD1 3.19Å; R527-D530 PolarHBondContact NH1-OD1 3.43Å; R527-D530 IonicContact NH1-OD2 3.49Å; R527-D530 PolarHBondContact O-N 3.48Å; R528-D530 PolarHBondContact O-N 3.14Å; D530-N548 PolarHBondContact O-ND2 3.37Å; D530-D583 WeakPolarHBondContact CB-OD1 3.18Å; D530-T584 WeakPolarHBondContact CB-O 3.23Å; D530-T584 PolarHBondContact O-N 3.13Å; D530-S586 PolarHBondContact OD1-N 2.81Å; D530-S586 VanDerWaalsContact OD1-N 3.1Å; D530-R589 WeakPolarHBondContact OD2-CD 3.36Å; D530-R589 IonicContact OD2-CZ 3.34Å; D530-R589 IonicContact OD2-NE 3.53Å; D530-R589 PolarHBondContact OD2-NE 3.39Å; D530-R589 IonicContact OD2-NH2 3.5Å
531	L	96.6	Very high	96.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.3	-178.3	-64.4	174.7	0	0	0	111.8	I488 I523 H525 R528 G529 L546 F558 I581 Y582 D583	I488-L531 HydrophobicContact CG2-CD2 4.32Å; I523-L531 HydrophobicContact CD1-CD1 4.27Å; I523-L531 HydrophobicContact CG2-CD1 3.96Å; H525-L531 HydrophobicContact CB-CD1 4Å; R528-L531 WeakPolarHBondContact O-CB 3.38Å; R528-L531 PolarHBondContact O-N 2.77Å; R528-L531 VanDerWaalsContact O-N 3.17Å; G529-L531 VanDerWaalsContact C-N 3.26Å; G529-L531 PolarHBondContact O-N 2.84Å; L531-L546 HydrophobicContact CB-CD2 4.25Å; L531-F558 HydrophobicContact CD1-CD2 4.47Å; L531-F558 HydrophobicContact CD1-CE2 4.26Å; L531-I581 HydrophobicContact CD2-CG2 3.97Å; L531-Y582 WeakPolarHBondContact CA-O 3.37Å; L531-D583 HydrophobicContact CD2-CB 4.45Å
532	S	97.4	Very high	96.5	Very high	12 Å²	12	21 Å²	21	8%	0.084	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.2	161.9	176.8	0	0	0	0	108.3	L546 I581 Y582	S532-L546 CarbonylContact C-O 3.59Å; S532-L546 WeakPolarHBondContact CA-O 3.48Å; S532-L546 PolarHBondContact OG-O 3.05Å; S532-I581 WeakPolarHBondContact O-CA 3.27Å; S532-Y582 PolarHBondContact N-O 3.34Å; S532-Y582 PolarHBondContact O-N 3.07Å
533	I	98.4	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.2	-174.6	-53.3	175.6	0	0	0	108.6	I521 I523 L545 L546 F563 L579 E580 I581	I521-I533 HydrophobicContact CD1-CD1 4.49Å; I523-I533 HydrophobicContact CD1-CD1 3.98Å; I533-L545 HydrophobicContact CB-CB 4.36Å; I533-L545 HydrophobicContact CG2-CB 4.2Å; I533-L545 HydrophobicContact CG2-CD1 4.23Å; I533-L545 PolarHBondContact O-N 2.9Å; I533-L546 HydrophobicContact CB-CB 4.01Å; I533-L546 HydrophobicContact CD1-CB 4.24Å; I533-L546 HydrophobicContact CD1-CD2 3.91Å; I533-L546 HydrophobicContact CG1-CB 4.13Å; I533-L546 HydrophobicContact CG1-CD2 4.21Å; I533-L546 PolarHBondContact N-O 3.26Å; I533-L546 PolarHBondContact O-N 3.13Å; I533-L546 VanDerWaalsContact O-N 3.12Å; I533-F563 HydrophobicContact CD1-CE2 3.87Å; I533-F563 HydrophobicContact CD1-CZ 4.16Å; I533-L579 HydrophobicContact CG2-CD1 3.73Å; I533-E580 CarbonylContact C-O 3.52Å; I533-E580 WeakPolarHBondContact CA-O 3.18Å; I533-I581 HydrophobicContact CG1-CG1 4.39Å; I533-I581 HydrophobicContact CG1-CG2 4.43Å; I533-I581 HydrophobicContact CG2-CG1 4.36Å
534	N	98.6	Very high	96.7	Very high	27 Å²	27	22.5 Å²	22.5	14%	0.144	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.7	174.7	-57.3	-66.6	0	0	0	110.9	K542 S543 Q544 E580	N534-K542 HydrophobicContact CB-CG 4.4Å; N534-S543 CarbonylContact C-O 3.49Å; N534-S543 VanDerWaalsContact CA-O 3.29Å; N534-S543 WeakPolarHBondContact CA-O 3.48Å; N534-Q544 WeakPolarHBondContact OD1-CA 3.41Å; N534-Q544 WeakPolarHBondContact OD1-CB 3.3Å; N534-E580 HydrophobicContact CB-CB 4.27Å; N534-E580 PolarHBondContact N-O 2.89Å; N534-E580 PolarHBondContact O-N 3.21Å
535	L	98.4	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.9	171.5	-177.1	73.2	0	0	0	109	V517 V519 K542 S543 L545 T565 W577 I578 L602	V517-L535 HydrophobicContact CG1-CD2 3.82Å; V519-L535 HydrophobicContact CG2-CD1 4Å; V519-L535 HydrophobicContact CG2-CD2 3.59Å; V519-L535 HydrophobicContact CG2-CG 4.28Å; L535-K542 CarbonylContact O-C 3.51Å; L535-K542 WeakPolarHBondContact O-CA 3.44Å; L535-S543 PolarHBondContact N-O 3.5Å; L535-S543 PolarHBondContact O-N 2.87Å; L535-L545 HydrophobicContact CB-CD1 3.78Å; L535-L545 HydrophobicContact CB-CD2 4.35Å; L535-L545 HydrophobicContact CB-CG 4.02Å; L535-T565 HydrophobicContact CD2-CG2 4.26Å; L535-W577 HydrophobicContact CD1-CE3 3.9Å; L535-W577 HydrophobicContact CD2-CE3 3.72Å; L535-W577 HydrophobicContact CD2-CZ3 3.57Å; L535-W577 HydrophobicContact CG-CE3 3.77Å; L535-W577 HydrophobicContact CG-CZ3 3.99Å; L535-I578 CarbonylContact C-O 3.51Å; L535-I578 WeakPolarHBondContact CA-O 3.24Å; L535-L602 HydrophobicContact CD1-CD2 4.31Å; L535-L602 HydrophobicContact CD2-CD2 4.42Å
536	T	98.6	Very high	97	Very high	19 Å²	19	19.8 Å²	19.8	12%	0.117	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127	172.1	-50.4	0	0	0	0	109.6	T541 I578	T536-T541 CarbonylContact C-O 3.56Å; T536-T541 WeakPolarHBondContact CA-O 3.33Å; T536-I578 PolarHBondContact N-O 2.64Å; T536-I578 PolarHBondContact O-N 2.96Å
537	S	98.4	Very high	97.2	Very high	3 Å²	3	19 Å²	19	2%	0.021	12%	0.119	C	C	.	.			trans	-70.9	162.7	176.4	79.7	0	0	0	0	111.8	S539 G540 T541 E571	S537-S539 PolarHBondContact O-N 3.24Å; S537-S539 VanDerWaalsContact O-N 3.11Å; S537-S539 PolarHBondContact OG-N 2.8Å; S537-G540 PolarHBondContact O-N 3.26Å; S537-G540 PolarHBondContact OG-N 3.01Å; S537-T541 PolarHBondContact N-O 3.27Å; S537-T541 PolarHBondContact OG-N 2.97Å; S537-T541 VanDerWaalsContact OG-N 3.09Å; S537-E571 WeakPolarHBondContact CB-OE2 3.4Å; S537-E571 PolarHBondContact OG-OE2 2.89Å
538	P	98.1	Very high	97.4	Very high	40 Å²	40	21.6 Å²	21.6	26%	0.26	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.3	174.7	-27.2	36.1	0	0	0	113.6	G540 D576 W577	P538-G540 VanDerWaalsContact C-N 3.32Å; P538-D576 WeakPolarHBondContact CA-O 3.42Å; P538-W577 HydrophobicContact CG-CD2 4.32Å; P538-W577 HydrophobicContact CG-CG 4.25Å; P538-W577 HydrophobicContact CG-CZ2 4.4Å
539	S	96.8	Very high	97.4	Very high	56 Å²	56	21 Å²	21	39%	0.392	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	1.2	179.5	-46.5	0	0	0	0	113.2	S537	S537-S539 PolarHBondContact O-N 3.24Å; S537-S539 VanDerWaalsContact O-N 3.11Å; S537-S539 PolarHBondContact OG-N 2.8Å
540	G	97.2	Very high	97.3	Very high	52 Å²	52	23.5 Å²	23.5	54%	0.536	14%	0.143	S	C	.	.	S	Bend	trans	96.2	2.8	174.3	0	0	0	0	0	115.6	S537 P538 K542	S537-G540 PolarHBondContact O-N 3.26Å; S537-G540 PolarHBondContact OG-N 3.01Å; P538-G540 VanDerWaalsContact C-N 3.32Å; G540-K542 PolarHBondContact O-N 2.85Å
541	T	98.4	Very high	97.3	Very high	18 Å²	18	28 Å²	28	11%	0.11	16%	0.163	C	C	.	.			trans	-76.2	117.5	179.5	-66.5	0	0	0	0	110.6	N441 T536 S537 H567 E571	N441-T541 HydrophobicContact CB-CG2 4.1Å; T536-T541 CarbonylContact C-O 3.56Å; T536-T541 WeakPolarHBondContact CA-O 3.33Å; S537-T541 PolarHBondContact N-O 3.27Å; S537-T541 PolarHBondContact OG-N 2.97Å; S537-T541 VanDerWaalsContact OG-N 3.09Å; T541-H567 HydrophobicContact CG2-CB 4.17Å; T541-E571 WeakPolarHBondContact CB-OE1 2.87Å; T541-E571 PolarHBondContact OG1-OE1 3Å
542	K	98.1	Very high	97.2	Very high	79 Å²	79	28.1 Å²	28.1	34%	0.343	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.6	-178.5	-176.7	164.6	176.1	158.6	0	110.9	N534 L535 G540 E580	N534-K542 HydrophobicContact CB-CG 4.4Å; L535-K542 CarbonylContact O-C 3.51Å; L535-K542 WeakPolarHBondContact O-CA 3.44Å; G540-K542 PolarHBondContact O-N 2.85Å; K542-E580 WeakPolarHBondContact CE-OE2 3.46Å; K542-E580 IonicContact NZ-OE2 2.88Å; K542-E580 PolarHBondContact NZ-OE2 2.85Å
543	S	98.3	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.9	175.7	-53.9	0	0	0	0	110.5	N534 L535 L545 T565	N534-S543 CarbonylContact C-O 3.49Å; N534-S543 VanDerWaalsContact CA-O 3.29Å; N534-S543 WeakPolarHBondContact CA-O 3.48Å; L535-S543 PolarHBondContact N-O 3.5Å; L535-S543 PolarHBondContact O-N 2.87Å; S543-L545 PolarHBondContact O-N 3.07Å; S543-T565 WeakPolarHBondContact CB-OG1 3.42Å; S543-T565 PolarHBondContact OG-OG1 3.42Å
544	Q	98.2	Very high	96.8	Very high	48 Å²	48	33.3 Å²	33.3	22%	0.224	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	104.8	169.2	-175.4	170.9	34.9	0	0	108.9	S361 H449 N534	S361-Q544 PolarHBondContact OG-O 3.48Å; H449-Q544 PolarHBondContact NE2-N 3.05Å; N534-Q544 WeakPolarHBondContact OD1-CA 3.41Å; N534-Q544 WeakPolarHBondContact OD1-CB 3.3Å
545	L	98.4	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-31.8	-179.6	-61.3	-173.6	0	0	0	111.8	H329 S331 V519 I533 L535 S543 F563 T565	H329-L545 PolarHBondContact CE1-O 2.7Å; S331-L545 WeakPolarHBondContact CB-O 3.42Å; S331-L545 PolarHBondContact OG-O 3.5Å; V519-L545 HydrophobicContact CB-CD1 3.88Å; V519-L545 HydrophobicContact CG1-CD1 4.36Å; V519-L545 HydrophobicContact CG2-CD1 3.72Å; I533-L545 HydrophobicContact CB-CB 4.36Å; I533-L545 HydrophobicContact CG2-CB 4.2Å; I533-L545 HydrophobicContact CG2-CD1 4.23Å; I533-L545 PolarHBondContact O-N 2.9Å; L535-L545 HydrophobicContact CB-CD1 3.78Å; L535-L545 HydrophobicContact CB-CD2 4.35Å; L535-L545 HydrophobicContact CB-CG 4.02Å; S543-L545 PolarHBondContact O-N 3.07Å; L545-F563 HydrophobicContact CB-CB 3.96Å; L545-F563 HydrophobicContact CB-CD1 4.24Å; L545-F563 HydrophobicContact CB-CG 4.11Å; L545-F563 HydrophobicContact CD1-CB 3.95Å; L545-F563 HydrophobicContact CD2-CB 4.33Å; L545-F563 HydrophobicContact CG-CB 4.31Å; L545-F563 VanDerWaalsContact O-CD1 3.29Å; L545-F563 WeakPolarHBondContact O-CD1 3.42Å; L545-T565 HydrophobicContact CD2-CG2 4.33Å
546	L	98.4	Very high	96.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	127.6	177.2	-179	67.3	0	0	0	109.9	H329 C332 L531 S532 I533 F558 F563	H329-L546 HydrophobicContact CB-CD1 4.48Å; C332-L546 VanDerWaalsContact SG-CD1 3.6Å; L531-L546 HydrophobicContact CB-CD2 4.25Å; S532-L546 CarbonylContact C-O 3.59Å; S532-L546 WeakPolarHBondContact CA-O 3.48Å; S532-L546 PolarHBondContact OG-O 3.05Å; I533-L546 HydrophobicContact CB-CB 4.01Å; I533-L546 HydrophobicContact CD1-CB 4.24Å; I533-L546 HydrophobicContact CD1-CD2 3.91Å; I533-L546 HydrophobicContact CG1-CB 4.13Å; I533-L546 HydrophobicContact CG1-CD2 4.21Å; I533-L546 PolarHBondContact N-O 3.26Å; I533-L546 PolarHBondContact O-N 3.13Å; I533-L546 VanDerWaalsContact O-N 3.12Å; L546-F558 HydrophobicContact CD2-CE2 3.59Å; L546-F558 HydrophobicContact CD2-CZ 3.56Å; L546-F563 HydrophobicContact CB-CE1 3.97Å; L546-F563 HydrophobicContact CB-CZ 4.17Å; L546-F563 HydrophobicContact CD1-CE1 4.3Å; L546-F563 HydrophobicContact CD2-CZ 4.15Å
547	A	96.6	Very high	96	Very high	14 Å²	14	44.8 Å²	44.8	12%	0.116	24%	0.244	C	C	.	.			trans	-91	164.5	165.1	0	0	0	0	0	111.9	H329 R549	H329-A547 VanDerWaalsContact CD2-CB 3.47Å; H329-A547 WeakPolarHBondContact CD2-CB 3.49Å; H329-A547 PolarHBondContact CD2-N 3.45Å; H329-A547 PolarHBondContact NE2-N 2.66Å; A547-R549 PolarHBondContact O-N 3.37Å
548	N	95.8	Very high	95.9	Very high	65 Å²	65	44.8 Å²	44.8	35%	0.348	24%	0.243	S	C	.	.			trans	-61.1	126.4	173.7	-69.4	100.2	0	0	0	111.2	G529 D530	G529-N548 WeakPolarHBondContact O-CA 3.01Å; D530-N548 PolarHBondContact O-ND2 3.37Å
549	R	95.8	Very high	95.8	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.008	27%	0.265	C	S	.	.			trans	-110.6	102.1	179.2	-61	-160.7	-52.8	160.3	-0.5	111.1	K288 T289 V290 D328 H329 C332 G529 A547 F551 D552	K288-R549 VanDerWaalsContact C-NH2 3.33Å; K288-R549 PolarHBondContact O-NH2 3.43Å; K288-R549 VanDerWaalsContact O-NH2 3.07Å; T289-R549 PolarHBondContact O-NH1 2.84Å; T289-R549 PolarHBondContact O-NH2 3.4Å; V290-R549 VanDerWaalsContact CG2-NH2 3.35Å; D328-R549 IonicContact OD1-CZ 2.72Å; D328-R549 IonicContact OD1-NH1 3.69Å; D328-R549 PolarHBondContact OD1-NH1 3.22Å; H329-R549 HydrophobicContact CB-CG 4.35Å; C332-R549 VanDerWaalsContact SG-CZ 3.55Å; G529-R549 VanDerWaalsContact CA-O 3.23Å; G529-R549 WeakPolarHBondContact CA-O 3.23Å; G529-R549 PolarHBondContact O-N 3.2Å; A547-R549 PolarHBondContact O-N 3.37Å; R549-F551 VanDerWaalsContact C-N 3.26Å; R549-F551 PolarHBondContact O-N 2.78Å; R549-F551 VanDerWaalsContact O-N 3.15Å; R549-D552 HydrophobicContact CB-CB 4Å; R549-D552 IonicContact CZ-OD2 2.8Å; R549-D552 IonicContact NE-OD2 2.87Å; R549-D552 IonicContact NH2-OD2 3.4Å; R549-D552 PolarHBondContact NH2-OD2 3.4Å; R549-D552 PolarHBondContact O-N 3.43Å; R549-D552 VanDerWaalsContact O-N 3.11Å
550	L	92.6	Very high	95.7	Very high	56 Å²	56	52.7 Å²	52.7	29%	0.293	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35	-168.8	-178.8	61.7	0	0	0	113.8	R527 S586	R527-L550 PolarHBondContact NH2-O 2.97Å; L550-S586 WeakPolarHBondContact CD1-OG 3.26Å
551	F	93.4	Very high	95.7	Very high	95 Å²	95	52.2 Å²	52.2	42%	0.417	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.5	-176.3	-54.3	-63.3	0	0	0	113.9	S326 R549 H553	S326-F551 WeakPolarHBondContact O-CD2 3.46Å; S326-F551 WeakPolarHBondContact O-CE2 3.16Å; R549-F551 VanDerWaalsContact C-N 3.26Å; R549-F551 PolarHBondContact O-N 2.78Å; R549-F551 VanDerWaalsContact O-N 3.15Å; F551-H553 PolarHBondContact O-CD2 3.28Å; F551-H553 PolarHBondContact O-N 3.41Å
552	D	95.3	Very high	95.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.011	26%	0.257	C	S	.	.			trans	-84.2	92.2	178.2	-171.5	1.6	0	0	0	111.9	G287 K288 R527 R528 G529 R549 S554	G287-D552 PolarHBondContact O-N 2.93Å; K288-D552 HydrophobicContact CB-CB 4.23Å; R527-D552 WeakPolarHBondContact CG-O 3.47Å; R528-D552 WeakPolarHBondContact CB-OD2 3.37Å; R528-D552 WeakPolarHBondContact CG-OD2 3.4Å; R528-D552 IonicContact CZ-OD1 3.58Å; R528-D552 IonicContact CZ-OD2 3.71Å; R528-D552 IonicContact NE-OD1 2.99Å; R528-D552 IonicContact NE-OD2 3.73Å; R528-D552 PolarHBondContact NE-OD2 2.98Å; R528-D552 IonicContact NH2-OD1 3.78Å; R528-D552 PolarHBondContact NH2-OD1 2.93Å; R528-D552 IonicContact NH2-OD2 2.91Å; R528-D552 PolarHBondContact NH2-OD2 3.39Å; G529-D552 WeakPolarHBondContact CA-O 3.47Å; G529-D552 PolarHBondContact N-O 3.19Å; R549-D552 HydrophobicContact CB-CB 4Å; R549-D552 IonicContact CZ-OD2 2.8Å; R549-D552 IonicContact NE-OD2 2.87Å; R549-D552 IonicContact NH2-OD2 3.4Å; R549-D552 PolarHBondContact NH2-OD2 3.4Å; R549-D552 PolarHBondContact O-N 3.43Å; R549-D552 VanDerWaalsContact O-N 3.11Å; D552-S554 VanDerWaalsContact C-N 3.33Å; D552-S554 WeakPolarHBondContact OD1-CB 3.48Å; D552-S554 PolarHBondContact OD1-N 3.28Å
553	H	93.4	Very high	95.6	Very high	95 Å²	95	49.6 Å²	49.6	44%	0.44	24%	0.241	S	C	.	.			trans	-90.4	10	176.2	-56.9	-78.5	0	0	0	113.6	R527 F551 Q587	R527-H553 PolarHBondContact NE-ND1 3.41Å; R527-H553 VanDerWaalsContact NE-ND1 3.14Å; R527-H553 PolarHBondContact NH2-CE1 2.76Å; R527-H553 VanDerWaalsContact NH2-CE1 3.26Å; F551-H553 PolarHBondContact O-CD2 3.28Å; F551-H553 PolarHBondContact O-N 3.41Å; H553-Q587 PolarHBondContact CE1-OE1 3.25Å
554	S	93.4	Very high	95.6	Very high	27 Å²	27	49.7 Å²	49.7	19%	0.189	24%	0.242	C	C	.	.			trans	-65.4	139	-173.7	-176.6	0	0	0	0	112.7	R527 R528 D552 E556	R527-S554 WeakPolarHBondContact CA-O 3.43Å; R528-S554 WeakPolarHBondContact CB-O 3.3Å; R528-S554 PolarHBondContact N-O 3.12Å; D552-S554 VanDerWaalsContact C-N 3.33Å; D552-S554 WeakPolarHBondContact OD1-CB 3.48Å; D552-S554 PolarHBondContact OD1-N 3.28Å; S554-E556 WeakPolarHBondContact OG-CB 3.35Å; S554-E556 WeakPolarHBondContact OG-CG 3.32Å; S554-E556 PolarHBondContact OG-N 2.82Å; S554-E556 VanDerWaalsContact OG-N 3.13Å
555	M	92.6	Very high	95.7	Very high	150 Å²	150	47.4 Å²	47.4	74%	0.739	23%	0.231	S	C	*	.	S	Bend	trans	-96.1	1.1	171.2	-63.9	-173.8	-66.1	0	0	112.7	P526 G557	P526-M555 WeakPolarHBondContact O-CG 3.23Å; M555-G557 PolarHBondContact O-N 3.42Å
556	E	92.4	Very high	95.7	Very high	133 Å²	133	47.5 Å²	47.5	62%	0.621	23%	0.231	S	C	*	.	S	Bend	trans	-71.8	-20.7	-176.2	-64	-177	163	0	0	112.8	S554	S554-E556 WeakPolarHBondContact OG-CB 3.35Å; S554-E556 WeakPolarHBondContact OG-CG 3.32Å; S554-E556 PolarHBondContact OG-N 2.82Å; S554-E556 VanDerWaalsContact OG-N 3.13Å
557	G	94.1	Very high	95.7	Very high	4 Å²	4	47.6 Å²	47.6	4%	0.041	23%	0.232	C	C	.	.			trans	62.5	-146.7	-174	0	0	0	0	0	112.2	I523 R528 M555	I523-G557 CarbonylContact O-C 3.59Å; I523-G557 VanDerWaalsContact O-CA 3.28Å; I523-G557 WeakPolarHBondContact O-CA 3.38Å; R528-G557 WeakPolarHBondContact CD-O 3.27Å; R528-G557 PolarHBondContact NH1-O 2.65Å; R528-G557 VanDerWaalsContact NH1-O 3.16Å; M555-G557 PolarHBondContact O-N 3.42Å
558	F	97.4	Very high	95.8	Very high	3 Å²	3	47 Å²	47	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.4	173.8	-67.1	-75.7	0	0	0	108.6	V290 I521 T522 I523 R528 L531 L546 W561 F563	V290-F558 HydrophobicContact CG1-CD1 4.42Å; V290-F558 HydrophobicContact CG1-CE1 4.14Å; V290-F558 HydrophobicContact CG2-CE1 3.97Å; I521-F558 HydrophobicContact CG2-CB 4.23Å; T522-F558 CarbonylContact C-O 3.58Å; T522-F558 VanDerWaalsContact CA-O 3.28Å; T522-F558 WeakPolarHBondContact CA-O 3.34Å; I523-F558 PolarHBondContact N-O 3.07Å; I523-F558 PolarHBondContact O-N 2.87Å; I523-F558 VanDerWaalsContact O-O 3.06Å; R528-F558 HydrophobicContact CG-CD2 4.19Å; R528-F558 HydrophobicContact CG-CE1 4.43Å; R528-F558 HydrophobicContact CG-CE2 3.5Å; R528-F558 HydrophobicContact CG-CZ 3.64Å; L531-F558 HydrophobicContact CD1-CD2 4.47Å; L531-F558 HydrophobicContact CD1-CE2 4.26Å; L546-F558 HydrophobicContact CD2-CE2 3.59Å; L546-F558 HydrophobicContact CD2-CZ 3.56Å; F558-W561 HydrophobicContact CB-CB 3.93Å; F558-W561 HydrophobicContact CD1-CB 3.76Å; F558-W561 AromaticContact CD1-CD1 3.9Å; F558-W561 HydrophobicContact CD1-CD2 4.48Å; F558-W561 AromaticContact CD1-CG 3.74Å; F558-W561 HydrophobicContact CD1-CG 3.74Å; F558-W561 HydrophobicContact CE1-CG 4.34Å; F558-W561 HydrophobicContact CG-CB 4.25Å; F558-F563 HydrophobicContact CD1-CE2 4.33Å; F558-F563 HydrophobicContact CD1-CZ 4.03Å; F558-F563 HydrophobicContact CD2-CZ 4.42Å; F558-F563 HydrophobicContact CE1-CE1 4.48Å; F558-F563 HydrophobicContact CE1-CE2 4.4Å; F558-F563 AromaticContact CE1-CZ 3.65Å; F558-F563 HydrophobicContact CE1-CZ 3.65Å; F558-F563 HydrophobicContact CE2-CZ 4.09Å; F558-F563 HydrophobicContact CG-CE2 4.4Å; F558-F563 HydrophobicContact CG-CZ 4.4Å; F558-F563 AromaticContact CZ-CZ 3.7Å; F558-F563 HydrophobicContact CZ-CZ 3.7Å
559	K	94.9	Very high	95.9	Very high	165 Å²	165	43.9 Å²	43.9	72%	0.717	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	103.3	-179.5	-66.7	178.5	-175.7	171.3	0	108.6	W561	K559-W561 PolarHBondContact O-N 3.19Å; K559-W561 VanDerWaalsContact O-N 3.12Å
560	N	94.1	Very high	96	Very high	97 Å²	97	44.9 Å²	44.9	52%	0.519	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	45.8	41.5	-173.6	-167.5	40.5	0	0	0	112.1	I521 T522	I521-N560 WeakPolarHBondContact O-CA 3.41Å; I521-N560 PolarHBondContact O-N 3.21Å; I521-N560 VanDerWaalsContact O-N 3.17Å; T522-N560 PolarHBondContact OG1-N 2.81Å
561	W	97.6	Very high	96.3	Very high	41 Å²	41	42.4 Å²	42.4	16%	0.155	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.2	179.3	-175.2	-100.9	0	0	0	108.9	V290 D291 S331 R520 I521 F558 K559 F563	V290-W561 HydrophobicContact CG1-CD2 3.74Å; V290-W561 HydrophobicContact CG1-CE3 3.65Å; V290-W561 HydrophobicContact CG1-CH2 3.69Å; V290-W561 HydrophobicContact CG1-CZ2 3.78Å; V290-W561 HydrophobicContact CG1-CZ3 3.62Å; D291-W561 WeakPolarHBondContact O-CH2 3.17Å; S331-W561 WeakPolarHBondContact O-CZ2 3.39Å; S331-W561 PolarHBondContact O-NE1 2.8Å; R520-W561 CarbonylContact C-O 3.48Å; R520-W561 WeakPolarHBondContact CA-O 3.3Å; I521-W561 PolarHBondContact N-O 3.06Å; I521-W561 PolarHBondContact O-N 3.35Å; F558-W561 HydrophobicContact CB-CB 3.93Å; F558-W561 HydrophobicContact CD1-CB 3.76Å; F558-W561 AromaticContact CD1-CD1 3.9Å; F558-W561 HydrophobicContact CD1-CD2 4.48Å; F558-W561 AromaticContact CD1-CG 3.74Å; F558-W561 HydrophobicContact CD1-CG 3.74Å; F558-W561 HydrophobicContact CE1-CG 4.34Å; F558-W561 HydrophobicContact CG-CB 4.25Å; K559-W561 PolarHBondContact O-N 3.19Å; K559-W561 VanDerWaalsContact O-N 3.12Å; W561-F563 AromaticContact CD1-CD1 3.89Å; W561-F563 AromaticContact CD1-CD2 3.76Å; W561-F563 AromaticContact CD1-CE1 3.65Å; W561-F563 AromaticContact CD1-CE2 3.52Å; W561-F563 AromaticContact CD1-CG 3.95Å; W561-F563 AromaticContact CD1-CZ 3.46Å; W561-F563 VanDerWaalsContact CD1-CZ 3.46Å; W561-F563 HydrophobicContact CG-CE2 4.48Å; W561-F563 AromaticContact NE1-CD1 3.87Å; W561-F563 AromaticContact NE1-CE1 3.65Å; W561-F563 AromaticContact NE1-CZ 3.91Å
562	E	97.3	Very high	96.4	Very high	42 Å²	42	44 Å²	44	20%	0.196	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.7	-178.7	-59.6	-168.5	132.2	0	0	108.2	R298 N337 V518 R520	R298-E562 IonicContact CZ-OE2 2.77Å; R298-E562 IonicContact NH2-OE2 3.3Å; R298-E562 PolarHBondContact NH2-OE2 2.75Å; N337-E562 PolarHBondContact ND2-O 3.28Å; V518-E562 HydrophobicContact CG1-CB 3.7Å; V518-E562 HydrophobicContact CG1-CG 4.14Å; R520-E562 HydrophobicContact CG-CG 4.11Å; R520-E562 IonicContact CZ-OE1 2.69Å; R520-E562 IonicContact NE-OE1 2.92Å; R520-E562 PolarHBondContact NE-OE1 3.26Å; R520-E562 IonicContact NH2-OE1 3.08Å; R520-E562 PolarHBondContact NH2-OE1 2.95Å
563	F	98.4	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.1	168.2	-71.9	-74.1	0	0	0	109.2	V518 V519 I521 I533 L545 L546 F558 W561	V518-F563 CarbonylContact C-O 3.53Å; V518-F563 VanDerWaalsContact CA-O 3.3Å; V518-F563 WeakPolarHBondContact CA-O 3.41Å; V519-F563 PolarHBondContact N-O 2.76Å; V519-F563 PolarHBondContact O-N 2.89Å; I521-F563 HydrophobicContact CG2-CD2 3.69Å; I521-F563 HydrophobicContact CG2-CE2 3.53Å; I533-F563 HydrophobicContact CD1-CE2 3.87Å; I533-F563 HydrophobicContact CD1-CZ 4.16Å; L545-F563 HydrophobicContact CB-CB 3.96Å; L545-F563 HydrophobicContact CB-CD1 4.24Å; L545-F563 HydrophobicContact CB-CG 4.11Å; L545-F563 HydrophobicContact CD1-CB 3.95Å; L545-F563 HydrophobicContact CD2-CB 4.33Å; L545-F563 HydrophobicContact CG-CB 4.31Å; L545-F563 VanDerWaalsContact O-CD1 3.29Å; L545-F563 WeakPolarHBondContact O-CD1 3.42Å; L546-F563 HydrophobicContact CB-CE1 3.97Å; L546-F563 HydrophobicContact CB-CZ 4.17Å; L546-F563 HydrophobicContact CD1-CE1 4.3Å; L546-F563 HydrophobicContact CD2-CZ 4.15Å; F558-F563 HydrophobicContact CD1-CE2 4.33Å; F558-F563 HydrophobicContact CD1-CZ 4.03Å; F558-F563 HydrophobicContact CD2-CZ 4.42Å; F558-F563 HydrophobicContact CE1-CE1 4.48Å; F558-F563 HydrophobicContact CE1-CE2 4.4Å; F558-F563 AromaticContact CE1-CZ 3.65Å; F558-F563 HydrophobicContact CE1-CZ 3.65Å; F558-F563 HydrophobicContact CE2-CZ 4.09Å; F558-F563 HydrophobicContact CG-CE2 4.4Å; F558-F563 HydrophobicContact CG-CZ 4.4Å; F558-F563 AromaticContact CZ-CZ 3.7Å; F558-F563 HydrophobicContact CZ-CZ 3.7Å; W561-F563 AromaticContact CD1-CD1 3.89Å; W561-F563 AromaticContact CD1-CD2 3.76Å; W561-F563 AromaticContact CD1-CE1 3.65Å; W561-F563 AromaticContact CD1-CE2 3.52Å; W561-F563 AromaticContact CD1-CG 3.95Å; W561-F563 AromaticContact CD1-CZ 3.46Å; W561-F563 VanDerWaalsContact CD1-CZ 3.46Å; W561-F563 HydrophobicContact CG-CE2 4.48Å; W561-F563 AromaticContact NE1-CD1 3.87Å; W561-F563 AromaticContact NE1-CE1 3.65Å; W561-F563 AromaticContact NE1-CZ 3.91Å
564	M	98.6	Very high	96.7	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.7	-176.6	-171.4	-86.9	-78.1	0	0	111.6	N337 I339 S361 V517 V518 T566	N337-M564 VanDerWaalsContact O-CB 3.24Å; N337-M564 WeakPolarHBondContact O-CB 3.25Å; N337-M564 WeakPolarHBondContact OD1-CB 3.2Å; N337-M564 PolarHBondContact OD1-N 2.64Å; I339-M564 HydrophobicContact CG2-CG 3.94Å; S361-M564 PolarHBondContact OG-O 3.21Å; V517-M564 CarbonylContact O-C 3.54Å; V517-M564 WeakPolarHBondContact O-CA 3.38Å; V518-M564 HydrophobicContact CG2-CB 4.12Å; V518-M564 HydrophobicContact CG2-CG 3.89Å; M564-T566 HydrophobicContact CE-CG2 4.08Å; M564-T566 HydrophobicContact SD-CG2 3.65Å
565	T	98.8	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.2	168.4	-179.9	0	0	0	0	111.8	S361 V517 L535 S543 L545 H567	S361-T565 WeakPolarHBondContact O-CA 3.28Å; V517-T565 HydrophobicContact CB-CG2 3.8Å; V517-T565 HydrophobicContact CG1-CG2 4.26Å; V517-T565 PolarHBondContact N-O 3.48Å; V517-T565 VanDerWaalsContact N-O 3.09Å; V517-T565 PolarHBondContact O-N 2.72Å; L535-T565 HydrophobicContact CD2-CG2 4.26Å; S543-T565 WeakPolarHBondContact CB-OG1 3.42Å; S543-T565 PolarHBondContact OG-OG1 3.42Å; L545-T565 HydrophobicContact CD2-CG2 4.33Å; T565-H567 WeakPolarHBondContact OG1-CB 3.35Å; T565-H567 PolarHBondContact OG1-N 3.46Å; T565-H567 VanDerWaalsContact OG1-N 3.09Å
566	T	98.7	Very high	97.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	20%	0.203	C	C	.	.			trans	-96	-9	169.1	61.5	0	0	0	0	111.8	S361 T363 L364 F453 M564 C568 W569	S361-T566 PolarHBondContact O-N 3.13Å; S361-T566 PolarHBondContact O-OG1 3.13Å; T363-T566 PolarHBondContact O-OG1 2.59Å; L364-T566 HydrophobicContact CD1-CG2 3.86Å; F453-T566 WeakPolarHBondContact CZ-O 3.15Å; M564-T566 HydrophobicContact CE-CG2 4.08Å; M564-T566 HydrophobicContact SD-CG2 3.65Å; T566-C568 PolarHBondContact O-N 3.17Å; T566-W569 WeakPolarHBondContact O-CB 3.3Å; T566-W569 PolarHBondContact O-N 3.22Å
567	H	98.6	Very high	97.3	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.014	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.6	-170	-67.3	-152.7	0	0	0	113.4	S361 N441 V447 H449 T541 T565 W569	S361-H567 PolarHBondContact O-CD2 3.48Å; N441-H567 VanDerWaalsContact CB-O 3.24Å; N441-H567 WeakPolarHBondContact CB-O 3.23Å; N441-H567 PolarHBondContact ND2-O 3.11Å; V447-H567 HydrophobicContact CG1-CB 4.06Å; V447-H567 HydrophobicContact CG2-CB 4.03Å; V447-H567 WeakPolarHBondContact CG2-CD2 3.37Å; V447-H567 VanDerWaalsContact CG2-CG 3.43Å; V447-H567 WeakPolarHBondContact CG2-NE2 3.3Å; H449-H567 AromaticContact CD2-CE1 3.33Å; H449-H567 PolarHBondContact CD2-CE1 2.9Å; H449-H567 AromaticContact CD2-NE2 3.97Å; H449-H567 AromaticContact CE1-CE1 3.43Å; H449-H567 PolarHBondContact CE1-CE1 2.77Å; H449-H567 VanDerWaalsContact CE1-CE1 3.43Å; H449-H567 AromaticContact CE1-ND1 3.72Å; H449-H567 AromaticContact CG-CE1 3.51Å; H449-H567 AromaticContact ND1-CE1 3.58Å; H449-H567 AromaticContact NE2-CE1 3.27Å; H449-H567 PolarHBondContact NE2-CE1 3.18Å; H449-H567 VanDerWaalsContact NE2-CE1 3.27Å; H449-H567 AromaticContact NE2-ND1 3.57Å; T541-H567 HydrophobicContact CG2-CB 4.17Å; T565-H567 WeakPolarHBondContact OG1-CB 3.35Å; T565-H567 PolarHBondContact OG1-N 3.46Å; T565-H567 VanDerWaalsContact OG1-N 3.09Å; H567-W569 VanDerWaalsContact C-N 3.32Å
568	C	98.3	Very high	97.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	11.5	179	-51.6	0	0	0	0	112.7	L514 V517 T566 G570 E571 W577	L514-C568 WeakPolarHBondContact CB-O 3.47Å; L514-C568 HydrophobicContact CD1-CB 3.98Å; V517-C568 HydrophobicContact CG2-CB 4.34Å; T566-C568 PolarHBondContact O-N 3.17Å; C568-G570 PolarHBondContact O-N 2.88Å; C568-E571 VanDerWaalsContact O-CB 3.28Å; C568-E571 WeakPolarHBondContact O-CB 3.36Å; C568-E571 WeakPolarHBondContact O-CG 3.36Å; C568-E571 PolarHBondContact O-N 2.77Å; C568-W577 HydrophobicContact CB-CH2 4.48Å
569	W	98.6	Very high	97.5	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	129.6	-178.2	-156.8	-69.9	0	0	0	111.6	L364 Q421 H422 V425 N441 A443 F453 E515 H516 T566 H567 E571	L364-W569 HydrophobicContact CD1-CE3 4.35Å; L364-W569 HydrophobicContact CD1-CZ3 4.15Å; Q421-W569 HydrophobicContact CB-CH2 3.71Å; Q421-W569 HydrophobicContact CB-CZ2 4.25Å; H422-W569 AromaticContact CD2-CZ2 3.66Å; H422-W569 AromaticContact CE1-CE2 3.87Å; H422-W569 AromaticContact CE1-CZ2 3.87Å; H422-W569 AromaticContact CE1-NE1 3.31Å; H422-W569 PolarHBondContact CE1-NE1 3.03Å; H422-W569 VanDerWaalsContact CE1-NE1 3.31Å; H422-W569 AromaticContact CG-CZ2 3.86Å; H422-W569 AromaticContact CG-NE1 3.96Å; H422-W569 AromaticContact ND1-CE2 3.94Å; H422-W569 AromaticContact ND1-CZ2 3.99Å; H422-W569 AromaticContact ND1-NE1 3.27Å; H422-W569 PolarHBondContact ND1-NE1 2.99Å; H422-W569 AromaticContact NE2-CZ2 3.67Å; V425-W569 HydrophobicContact CG1-CB 4.44Å; V425-W569 HydrophobicContact CG1-CG 4.12Å; V425-W569 HydrophobicContact CG2-CD2 3.89Å; V425-W569 HydrophobicContact CG2-CE3 4.18Å; V425-W569 HydrophobicContact CG2-CG 4.17Å; V425-W569 HydrophobicContact CG2-CZ2 4.49Å; N441-W569 PolarHBondContact ND2-O 3.2Å; A443-W569 WeakPolarHBondContact CB-O 3.47Å; F453-W569 HydrophobicContact CE2-CB 4.46Å; F453-W569 HydrophobicContact CZ-CB 3.72Å; E515-W569 HydrophobicContact CB-CD2 4.4Å; E515-W569 HydrophobicContact CB-CE3 4.4Å; E515-W569 HydrophobicContact CB-CH2 3.99Å; E515-W569 HydrophobicContact CB-CZ2 3.97Å; E515-W569 HydrophobicContact CB-CZ3 4.21Å; E515-W569 HydrophobicContact CG-CH2 4.3Å; E515-W569 HydrophobicContact CG-CZ2 3.83Å; H516-W569 AromaticContact CD2-CZ3 3.89Å; H516-W569 AromaticContact CE1-CH2 3.81Å; H516-W569 AromaticContact CE1-CZ3 3.87Å; H516-W569 AromaticContact NE2-CH2 3.81Å; H516-W569 AromaticContact NE2-CZ3 3.53Å; T566-W569 WeakPolarHBondContact O-CB 3.3Å; T566-W569 PolarHBondContact O-N 3.22Å; H567-W569 VanDerWaalsContact C-N 3.32Å; W569-E571 VanDerWaalsContact C-N 3.27Å; W569-E571 PolarHBondContact O-N 3.33Å
570	G	97.4	Very high	97.6	Very high	22 Å²	22	27.2 Å²	27.2	23%	0.227	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-7.8	-177.7	0	0	0	0	0	115.2	L514 C568	L514-G570 PolarHBondContact O-N 2.05Å; C568-G570 PolarHBondContact O-N 2.88Å
571	E	98.1	Very high	97.8	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	13%	0.127	C	C	.	.	S	Bend	trans	-75	164.3	178.7	-61.2	-170.1	-179.7	0	0	112.7	N441 A442 A443 Y513 L514 S537 T541 C568 W569	N441-E571 WeakPolarHBondContact CB-OE1 3.13Å; A442-E571 HydrophobicContact CB-CG 3.95Å; A442-E571 PolarHBondContact N-OE1 3.17Å; A443-E571 HydrophobicContact CB-CG 4.36Å; Y513-E571 WeakPolarHBondContact CA-O 3.5Å; L514-E571 HydrophobicContact CD1-CB 4.24Å; L514-E571 WeakPolarHBondContact CG-O 3.39Å; L514-E571 PolarHBondContact N-O 2.88Å; S537-E571 WeakPolarHBondContact CB-OE2 3.4Å; S537-E571 PolarHBondContact OG-OE2 2.89Å; T541-E571 WeakPolarHBondContact CB-OE1 2.87Å; T541-E571 PolarHBondContact OG1-OE1 3Å; C568-E571 VanDerWaalsContact O-CB 3.28Å; C568-E571 WeakPolarHBondContact O-CB 3.36Å; C568-E571 WeakPolarHBondContact O-CG 3.36Å; C568-E571 PolarHBondContact O-N 2.77Å; W569-E571 VanDerWaalsContact C-N 3.27Å; W569-E571 PolarHBondContact O-N 3.33Å
572	K	97.1	Very high	97.7	Very high	130 Å²	130	24.7 Å²	24.7	57%	0.565	14%	0.135	S	C	*	.	B	Isolated β-bridge	trans	-76.1	133	173.1	-69.8	-174.6	178.2	-179.5	0	111.2	I512	I512-K572 CarbonylContact O-C 3.55Å; I512-K572 VanDerWaalsContact O-CA 3.26Å; I512-K572 WeakPolarHBondContact O-CA 3.36Å
573	A	96.8	Very high	97.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.126	C	C	.	.			trans	-73.3	-35.2	-176.7	0	0	0	0	0	114.6	V511 I512 L514 W577 L604	V511-A573 HydrophobicContact CG1-CB 4.1Å; V511-A573 VanDerWaalsContact O-CB 3.3Å; V511-A573 WeakPolarHBondContact O-CB 3.46Å; I512-A573 PolarHBondContact O-N 2.82Å; L514-A573 HydrophobicContact CD2-CB 3.64Å; L514-A573 HydrophobicContact CG-CB 4.02Å; A573-W577 PolarHBondContact O-NE1 3.17Å; A573-L604 HydrophobicContact CB-CD1 4.16Å
574	A	97.1	Very high	97.3	Very high	56 Å²	56	25.3 Å²	25.3	46%	0.463	14%	0.142	S	C	.	.			trans	-79.8	140.6	-172	0	0	0	0	0	112.9	A500	A500-A574 WeakPolarHBondContact O-CA 3.46Å
575	G	97.1	Very high	96.6	Very high	21 Å²	21	27.5 Å²	27.5	22%	0.216	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.5	-161.2	176.6	0	0	0	0	0	113.2	K499 A500 W577	K499-G575 CarbonylContact C-O 3.57Å; K499-G575 WeakPolarHBondContact CA-O 3.39Å; A500-G575 PolarHBondContact N-O 3.08Å; A500-G575 PolarHBondContact O-N 3.4Å; G575-W577 PolarHBondContact O-N 3.32Å
576	D	97.3	Very high	95.6	Very high	84 Å²	84	30.1 Å²	30.1	45%	0.449	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.3	-172	-67.4	-12.2	0	0	0	111.9	V497 K499 P538	V497-D576 HydrophobicContact CG1-CB 4.06Å; K499-D576 WeakPolarHBondContact CG-OD1 3.46Å; P538-D576 WeakPolarHBondContact CA-O 3.42Å
577	W	97.6	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.7	169.5	-72.2	83.4	0	0	0	110.3	V497 Y498 A500 L514 V517 L535 P538 C568 A573 G575 L602 L604	V497-W577 CarbonylContact C-O 3.44Å; V497-W577 WeakPolarHBondContact CA-O 3.41Å; Y498-W577 PolarHBondContact N-O 3.49Å; Y498-W577 PolarHBondContact O-N 2.76Å; A500-W577 VanDerWaalsContact CB-CD1 3.49Å; L514-W577 HydrophobicContact CD1-CH2 3.85Å; L514-W577 HydrophobicContact CD1-CZ2 3.75Å; V517-W577 HydrophobicContact CB-CH2 4.43Å; V517-W577 HydrophobicContact CG1-CH2 3.95Å; V517-W577 HydrophobicContact CG1-CZ3 3.94Å; V517-W577 HydrophobicContact CG2-CH2 3.77Å; V517-W577 HydrophobicContact CG2-CZ2 4.4Å; V517-W577 HydrophobicContact CG2-CZ3 4.48Å; L535-W577 HydrophobicContact CD1-CE3 3.9Å; L535-W577 HydrophobicContact CD2-CE3 3.72Å; L535-W577 HydrophobicContact CD2-CZ3 3.57Å; L535-W577 HydrophobicContact CG-CE3 3.77Å; L535-W577 HydrophobicContact CG-CZ3 3.99Å; P538-W577 HydrophobicContact CG-CD2 4.32Å; P538-W577 HydrophobicContact CG-CG 4.25Å; P538-W577 HydrophobicContact CG-CZ2 4.4Å; C568-W577 HydrophobicContact CB-CH2 4.48Å; A573-W577 PolarHBondContact O-NE1 3.17Å; G575-W577 PolarHBondContact O-N 3.32Å; W577-L602 HydrophobicContact CB-CD1 3.65Å; W577-L602 HydrophobicContact CD2-CD1 4.15Å; W577-L602 HydrophobicContact CD2-CD2 4.33Å; W577-L602 HydrophobicContact CE3-CD2 4.32Å; W577-L602 HydrophobicContact CG-CD1 3.59Å; W577-L604 HydrophobicContact CZ2-CD2 3.93Å
578	I	97.6	Very high	92.7	Very high	32 Å²	32	43.8 Å²	43.8	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.8	-175.8	-51.6	164.6	0	0	0	109.2	R495 V497 L535 T536 E580	R495-I578 HydrophobicContact CG-CG2 3.75Å; R495-I578 VanDerWaalsContact NH2-CD1 3.29Å; V497-I578 HydrophobicContact CG1-CG1 4.47Å; V497-I578 HydrophobicContact CG2-CG1 4.27Å; V497-I578 HydrophobicContact CG2-CG2 4.43Å; L535-I578 CarbonylContact C-O 3.51Å; L535-I578 WeakPolarHBondContact CA-O 3.24Å; T536-I578 PolarHBondContact N-O 2.64Å; T536-I578 PolarHBondContact O-N 2.96Å; I578-E580 HydrophobicContact CG2-CG 4.01Å
579	L	97.3	Very high	91.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.4	169.6	-177.4	69.6	0	0	0	109.7	R495 S496 V519 I521 I533 I581 L597 W600	R495-L579 WeakPolarHBondContact CA-O 3.43Å; S496-L579 PolarHBondContact N-O 3.43Å; S496-L579 PolarHBondContact O-N 2.84Å; V519-L579 HydrophobicContact CG1-CD1 4.33Å; I521-L579 HydrophobicContact CD1-CD2 3.99Å; I533-L579 HydrophobicContact CG2-CD1 3.73Å; L579-I581 HydrophobicContact CD2-CD1 4.24Å; L579-I581 HydrophobicContact CG-CG1 4.34Å; L579-L597 HydrophobicContact CD2-CD2 4.22Å; L579-W600 HydrophobicContact CB-CD2 4.4Å; L579-W600 HydrophobicContact CB-CE3 4.41Å; L579-W600 HydrophobicContact CB-CH2 4.05Å; L579-W600 HydrophobicContact CB-CZ2 4.05Å; L579-W600 HydrophobicContact CB-CZ3 4.22Å; L579-W600 HydrophobicContact CD2-CB 4.08Å; L579-W600 HydrophobicContact CD2-CD2 3.59Å; L579-W600 HydrophobicContact CD2-CE3 4.01Å; L579-W600 HydrophobicContact CD2-CG 3.63Å
580	E	97.9	Very high	89.8	Confident	31 Å²	31	49.3 Å²	49.3	15%	0.145	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.6	-180	-71.5	-174.2	135.8	0	0	109.5	L493 V494 R495 I533 N534 K542 I578	L493-E580 HydrophobicContact CD1-CB 3.95Å; L493-E580 HydrophobicContact CD1-CG 4.32Å; V494-E580 WeakPolarHBondContact O-CA 3.49Å; R495-E580 HydrophobicContact CG-CG 4.48Å; I533-E580 CarbonylContact C-O 3.52Å; I533-E580 WeakPolarHBondContact CA-O 3.18Å; N534-E580 HydrophobicContact CB-CB 4.27Å; N534-E580 PolarHBondContact N-O 2.89Å; N534-E580 PolarHBondContact O-N 3.21Å; K542-E580 WeakPolarHBondContact CE-OE2 3.46Å; K542-E580 IonicContact NZ-OE2 2.88Å; K542-E580 PolarHBondContact NZ-OE2 2.85Å; I578-E580 HydrophobicContact CG2-CG 4.01Å
581	I	97.8	Very high	88.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.5	176.4	-54.6	168.7	0	0	0	107.9	I488 V494 I521 I523 L531 S532 I533 L579 L597	I488-I581 HydrophobicContact CD1-CD1 4.49Å; I488-I581 HydrophobicContact CD1-CG2 4.04Å; I488-I581 HydrophobicContact CG1-CG2 4.45Å; I488-I581 HydrophobicContact CG2-CG2 4.47Å; V494-I581 HydrophobicContact CB-CB 4.3Å; V494-I581 PolarHBondContact N-O 3.49Å; V494-I581 PolarHBondContact O-N 3.08Å; I521-I581 HydrophobicContact CD1-CD1 4.07Å; I523-I581 HydrophobicContact CD1-CD1 3.92Å; L531-I581 HydrophobicContact CD2-CG2 3.97Å; S532-I581 WeakPolarHBondContact O-CA 3.27Å; I533-I581 HydrophobicContact CG1-CG1 4.39Å; I533-I581 HydrophobicContact CG1-CG2 4.43Å; I533-I581 HydrophobicContact CG2-CG1 4.36Å; L579-I581 HydrophobicContact CD2-CD1 4.24Å; L579-I581 HydrophobicContact CG-CG1 4.34Å; I581-L597 HydrophobicContact CD1-CB 4.21Å; I581-L597 HydrophobicContact CD1-CD1 4.03Å; I581-L597 HydrophobicContact CD1-CD2 3.83Å; I581-L597 HydrophobicContact CD1-CG 4.25Å
582	Y	96.2	Very high	86.6	Confident	84 Å²	84	65.4 Å²	65.4	33%	0.329	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.1	177	-165.5	-107.3	0	0	0	109.9	L493 L531 S532 T584	L493-Y582 HydrophobicContact CB-CD2 4.21Å; L493-Y582 HydrophobicContact CD1-CD2 4.43Å; L531-Y582 WeakPolarHBondContact CA-O 3.37Å; S532-Y582 PolarHBondContact N-O 3.34Å; S532-Y582 PolarHBondContact O-N 3.07Å; Y582-T584 WeakPolarHBondContact CD1-OG1 3.4Å; Y582-T584 WeakPolarHBondContact CE1-OG1 3.43Å
583	D	93.8	Very high	85.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	108.1	-179.4	175.1	17	0	0	0	108.8	I488 P490 E491 H525 D530 L531 P585 R589	I488-D583 HydrophobicContact CG2-CB 3.67Å; P490-D583 WeakPolarHBondContact CA-OD2 3.34Å; E491-D583 PolarHBondContact N-O 3.09Å; H525-D583 IonicContact CE1-OD1 3.93Å; H525-D583 PolarHBondContact CE1-OD1 3.2Å; H525-D583 IonicContact CE1-OD2 2.97Å; H525-D583 IonicContact NE2-OD1 3.29Å; H525-D583 IonicContact NE2-OD2 2.72Å; H525-D583 PolarHBondContact NE2-OD2 3.01Å; D530-D583 WeakPolarHBondContact CB-OD1 3.18Å; L531-D583 HydrophobicContact CD2-CB 4.45Å; D583-P585 WeakPolarHBondContact O-CD 3.31Å; D583-R589 IonicContact OD1-CZ 3.58Å; D583-R589 IonicContact OD1-NH2 3.3Å; D583-R589 PolarHBondContact OD1-NH2 3.49Å; D583-R589 IonicContact OD2-CZ 3.3Å; D583-R589 IonicContact OD2-NH1 2.63Å; D583-R589 IonicContact OD2-NH2 2.84Å; D583-R589 PolarHBondContact OD2-NH2 3.5Å
584	T	92.3	Very high	85.2	Confident	55 Å²	55	65.9 Å²	65.9	34%	0.337	36%	0.356	S	S	.	.			trans	-109.5	95.8	-179.7	-47.9	0	0	0	0	109	D530 Y582 S586	D530-T584 WeakPolarHBondContact CB-O 3.23Å; D530-T584 PolarHBondContact O-N 3.13Å; Y582-T584 WeakPolarHBondContact CD1-OG1 3.4Å; Y582-T584 WeakPolarHBondContact CE1-OG1 3.43Å; T584-S586 PolarHBondContact O-N 3.4Å
585	P	84.8	Confident	85	Confident	48 Å²	48	63.2 Å²	63.2	31%	0.312	33%	0.334	S	S	.	.			trans	-63.2	110.7	-177.9	-17.5	29.1	0	0	0	111	P490 D583	P490-P585 HydrophobicContact CB-CG 3.71Å; P490-P585 HydrophobicContact CG-CG 4.42Å; D583-P585 WeakPolarHBondContact O-CD 3.31Å
586	S	76.3	Confident	84.9	Confident	56 Å²	56	66.6 Å²	66.6	39%	0.392	34%	0.343	S	S	.	.			trans	-90.3	-10.9	-179.3	108.3	0	0	0	0	113.3	R527 D530 L550 T584	R527-S586 PolarHBondContact NH1-OG 2.88Å; R527-S586 PolarHBondContact NH2-OG 2.84Å; D530-S586 PolarHBondContact OD1-N 2.81Å; D530-S586 VanDerWaalsContact OD1-N 3.1Å; L550-S586 WeakPolarHBondContact CD1-OG 3.26Å; T584-S586 PolarHBondContact O-N 3.4Å
587	Q	72.6	Confident	84.8	Confident	105 Å²	105	62.7 Å²	62.7	49%	0.491	32%	0.322	S	S	.	.	S	Bend	trans	-148.6	163.7	178.7	-68.5	-171	1.1	0	0	110.9	H553 R589	H553-Q587 PolarHBondContact CE1-OE1 3.25Å; Q587-R589 PolarHBondContact O-N 3.03Å; Q587-R589 VanDerWaalsContact O-N 3.15Å
588	L	63.8	Low	84.6	Confident	187 Å²	187	67.1 Å²	67.1	98%	0.979	34%	0.341	S	S	*	.			trans	-61.4	113.4	173.6	-83.8	152	0	0	0	110.6
589	R	74	Confident	84.4	Confident	44 Å²	44	68.9 Å²	68.9	17%	0.166	35%	0.349	C	S	.	.			trans	-131.1	158.5	170.2	62.6	176.1	171.2	87.8	2.5	111	D530 D583 Q587 Q591	D530-R589 WeakPolarHBondContact OD2-CD 3.36Å; D530-R589 IonicContact OD2-CZ 3.34Å; D530-R589 IonicContact OD2-NE 3.53Å; D530-R589 PolarHBondContact OD2-NE 3.39Å; D530-R589 IonicContact OD2-NH2 3.5Å; D583-R589 IonicContact OD1-CZ 3.58Å; D583-R589 IonicContact OD1-NH2 3.3Å; D583-R589 PolarHBondContact OD1-NH2 3.49Å; D583-R589 IonicContact OD2-CZ 3.3Å; D583-R589 IonicContact OD2-NH1 2.63Å; D583-R589 IonicContact OD2-NH2 2.84Å; D583-R589 PolarHBondContact OD2-NH2 3.5Å; Q587-R589 PolarHBondContact O-N 3.03Å; Q587-R589 VanDerWaalsContact O-N 3.15Å; R589-Q591 PolarHBondContact O-N 3.32Å
590	S	63.3	Low	84.2	Confident	74 Å²	74	69.2 Å²	69.2	52%	0.517	35%	0.35	S	S	.	.			trans	-59.6	111.1	179.6	-178.3	0	0	0	0	110.9	K592	S590-K592 PolarHBondContact O-N 3.37Å
591	Q	64.2	Low	84.1	Confident	174 Å²	174	68.4 Å²	68.4	81%	0.813	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.2	175.1	-70.7	179.8	-10	0	0	113	R589 V593	R589-Q591 PolarHBondContact O-N 3.32Å; Q591-V593 VanDerWaalsContact C-N 3.3Å; Q591-V593 PolarHBondContact O-N 3.02Å
592	K	64.4	Low	84	Confident	190 Å²	190	68.4 Å²	68.4	83%	0.826	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.4	-175	-66.3	-174.4	177.6	-178.5	0	114.1	S590	S590-K592 PolarHBondContact O-N 3.37Å
593	V	78.7	Confident	84.1	Confident	92 Å²	92	64.4 Å²	64.4	56%	0.558	33%	0.332	S	S	*	.	S	Bend	trans	-120.5	99.1	179.1	-174.4	0	0	0	0	109.2	P526 Q591	P526-V593 WeakPolarHBondContact CG-O 3.34Å; Q591-V593 VanDerWaalsContact C-N 3.3Å; Q591-V593 PolarHBondContact O-N 3.02Å
594	P	85.5	Confident	84.3	Confident	48 Å²	48	64.4 Å²	64.4	31%	0.312	33%	0.332	S	S	.	.			trans	-70.1	155.6	176.5	30.2	-34.7	0	0	0	110.9	T487 I488	T487-P594 HydrophobicContact CG2-CB 3.61Å; T487-P594 HydrophobicContact CG2-CG 3.74Å; I488-P594 WeakPolarHBondContact O-CB 3.48Å
595	G	92.6	Very high	84.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	159.7	169.3	0	0	0	0	0	111.6	I488 T524	I488-G595 PolarHBondContact N-O 3.03Å; I488-G595 PolarHBondContact O-N 2.95Å; T524-G595 CarbonylContact O-C 3.43Å; T524-G595 VanDerWaalsContact O-CA 3.28Å; T524-G595 WeakPolarHBondContact O-CA 3.02Å
596	K	95.1	Very high	85.2	Confident	92 Å²	92	60.6 Å²	60.6	40%	0.4	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	124.5	175.4	-59.5	-177.8	-179.2	-177.8	0	110.4	I485 R486 I523 T524	I485-K596 HydrophobicContact CG2-CB 4.16Å; I485-K596 HydrophobicContact CG2-CD 4.15Å; I485-K596 HydrophobicContact CG2-CG 4.44Å; R486-K596 WeakPolarHBondContact O-CA 3.15Å; I523-K596 WeakPolarHBondContact CA-O 3.49Å; T524-K596 PolarHBondContact N-O 3.48Å; T524-K596 PolarHBondContact O-N 3.49Å
597	L	95.3	Very high	86.2	Confident	2 Å²	2	58 Å²	58	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.3	160	174.2	63.6	0	0	0	107.2	I485 R486 I488 I521 I523 L579 I581 W600	I485-L597 CarbonylContact C-O 3.58Å; I485-L597 VanDerWaalsContact CA-O 3.32Å; I485-L597 WeakPolarHBondContact CA-O 3.14Å; R486-L597 HydrophobicContact CB-CB 4.29Å; R486-L597 PolarHBondContact N-O 2.78Å; R486-L597 PolarHBondContact O-N 3.47Å; I488-L597 HydrophobicContact CD1-CB 4.31Å; I521-L597 HydrophobicContact CD1-CD1 3.66Å; I521-L597 HydrophobicContact CG1-CD1 3.47Å; I521-L597 VanDerWaalsContact CG1-CD1 3.47Å; I523-L597 HydrophobicContact CD1-CD1 4.48Å; I523-L597 HydrophobicContact CG1-CD1 3.86Å; L579-L597 HydrophobicContact CD2-CD2 4.22Å; I581-L597 HydrophobicContact CD1-CB 4.21Å; I581-L597 HydrophobicContact CD1-CD1 4.03Å; I581-L597 HydrophobicContact CD1-CD2 3.83Å; I581-L597 HydrophobicContact CD1-CG 4.25Å; L597-W600 HydrophobicContact CD1-CB 4.43Å
598	K	93.8	Very high	87.3	Confident	94 Å²	94	54.7 Å²	54.7	41%	0.409	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-44.2	-178.8	-68.7	-172.4	173.4	179.7	0	112.2	T522 T524	T522-K598 HydrophobicContact CG2-CB 4.1Å; T522-K598 HydrophobicContact CG2-CD 4.04Å; T522-K598 HydrophobicContact CG2-CG 4.48Å; T522-K598 PolarHBondContact O-N 3.4Å; T524-K598 HydrophobicContact CG2-CD 4.41Å
599	E	92.4	Very high	88.7	Confident	68 Å²	68	49.4 Å²	49.4	32%	0.318	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	152.8	-178.3	53.6	178.7	-173.5	0	0	108.8	R483 T522	R483-E599 IonicContact NE-OE2 3.49Å; T522-E599 PolarHBondContact N-O 2.78Å; T522-E599 PolarHBondContact OG1-OE1 3.08Å
600	W	93.9	Very high	89.7	Confident	8 Å²	8	50.8 Å²	50.8	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	157.6	164.2	70.5	-73.3	0	0	0	110.1	A481 S496 V519 R520 I521 L579 L597 L602	A481-W600 HydrophobicContact CB-CD2 3.67Å; A481-W600 HydrophobicContact CB-CE3 4.18Å; A481-W600 HydrophobicContact CB-CG 4.12Å; A481-W600 HydrophobicContact CB-CH2 4.17Å; A481-W600 HydrophobicContact CB-CZ2 3.63Å; A481-W600 HydrophobicContact CB-CZ3 4.43Å; A481-W600 WeakPolarHBondContact CB-O 3.28Å; A481-W600 PolarHBondContact N-O 3.47Å; S496-W600 PolarHBondContact OG-NE1 3.37Å; S496-W600 VanDerWaalsContact OG-NE1 3.1Å; V519-W600 HydrophobicContact CG1-CE3 4.09Å; R520-W600 CarbonylContact O-C 3.35Å; R520-W600 WeakPolarHBondContact O-CA 3.34Å; I521-W600 HydrophobicContact CB-CB 4.48Å; I521-W600 HydrophobicContact CG1-CB 4Å; L579-W600 HydrophobicContact CB-CD2 4.4Å; L579-W600 HydrophobicContact CB-CE3 4.41Å; L579-W600 HydrophobicContact CB-CH2 4.05Å; L579-W600 HydrophobicContact CB-CZ2 4.05Å; L579-W600 HydrophobicContact CB-CZ3 4.22Å; L579-W600 HydrophobicContact CD2-CB 4.08Å; L579-W600 HydrophobicContact CD2-CD2 3.59Å; L579-W600 HydrophobicContact CD2-CE3 4.01Å; L579-W600 HydrophobicContact CD2-CG 3.63Å; L597-W600 HydrophobicContact CD1-CB 4.43Å; W600-L602 HydrophobicContact CE3-CG 4.29Å; W600-L602 HydrophobicContact CH2-CD1 4.11Å; W600-L602 HydrophobicContact CH2-CG 4.33Å; W600-L602 HydrophobicContact CZ3-CD1 3.84Å; W600-L602 HydrophobicContact CZ3-CD2 3.9Å; W600-L602 HydrophobicContact CZ3-CG 3.57Å
601	S	94.8	Very high	90.9	Very high	15 Å²	15	48.1 Å²	48.1	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.5	173.9	57.7	0	0	0	0	110.6	V519 R520	V519-S601 WeakPolarHBondContact CA-O 3.46Å; R520-S601 WeakPolarHBondContact CB-OG 3.36Å; R520-S601 PolarHBondContact N-O 2.94Å; R520-S601 PolarHBondContact O-N 2.74Å
602	L	96	Very high	92	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.4	173.8	-72.7	162.5	0	0	0	109.1	E479 Y498 V517 V519 L535 W577 W600 L604	E479-L602 HydrophobicContact CB-CB 4.11Å; E479-L602 PolarHBondContact N-O 2.64Å; E479-L602 PolarHBondContact O-N 2.51Å; Y498-L602 HydrophobicContact CD1-CD1 3.91Å; V517-L602 HydrophobicContact CG1-CD2 4.25Å; V519-L602 HydrophobicContact CG2-CD2 3.93Å; L535-L602 HydrophobicContact CD1-CD2 4.31Å; L535-L602 HydrophobicContact CD2-CD2 4.42Å; W577-L602 HydrophobicContact CB-CD1 3.65Å; W577-L602 HydrophobicContact CD2-CD1 4.15Å; W577-L602 HydrophobicContact CD2-CD2 4.33Å; W577-L602 HydrophobicContact CE3-CD2 4.32Å; W577-L602 HydrophobicContact CG-CD1 3.59Å; W600-L602 HydrophobicContact CE3-CG 4.29Å; W600-L602 HydrophobicContact CH2-CD1 4.11Å; W600-L602 HydrophobicContact CH2-CG 4.33Å; W600-L602 HydrophobicContact CZ3-CD1 3.84Å; W600-L602 HydrophobicContact CZ3-CD2 3.9Å; W600-L602 HydrophobicContact CZ3-CG 3.57Å; L602-L604 HydrophobicContact CB-CD2 4.37Å
603	V	97.9	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.2	166	-171.4	0	0	0	0	107	V476 C477 V478 V518 R520 Y605	V476-V603 HydrophobicContact CG1-CG1 3.68Å; C477-V603 WeakPolarHBondContact O-CA 3.38Å; V478-V603 HydrophobicContact CG1-CG2 4.44Å; V478-V603 HydrophobicContact CG2-CG1 4.13Å; V478-V603 HydrophobicContact CG2-CG2 4.36Å; V518-V603 HydrophobicContact CB-CB 4.17Å; V518-V603 PolarHBondContact N-O 3.44Å; V518-V603 PolarHBondContact O-N 3.4Å; R520-V603 HydrophobicContact CG-CG2 4.15Å; V603-Y605 HydrophobicContact CB-CE2 4.09Å; V603-Y605 HydrophobicContact CG1-CD2 4.18Å; V603-Y605 HydrophobicContact CG1-CE2 3.44Å; V603-Y605 VanDerWaalsContact CG1-CE2 3.44Å
604	L	98.4	Very high	91.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.9	-176.3	-50.6	173.9	0	0	0	107.5	C477 A500 V511 L514 V517 A573 W577 L602	C477-L604 HydrophobicContact CB-CB 4.24Å; C477-L604 PolarHBondContact N-O 2.8Å; C477-L604 PolarHBondContact O-N 2.61Å; A500-L604 HydrophobicContact CB-CD1 4.28Å; V511-L604 HydrophobicContact CG1-CB 4.48Å; L514-L604 HydrophobicContact CD2-CB 3.99Å; L514-L604 HydrophobicContact CD2-CD2 4.11Å; L514-L604 HydrophobicContact CD2-CG 4.49Å; V517-L604 HydrophobicContact CG1-CD2 3.98Å; V517-L604 HydrophobicContact CG2-CD2 4.12Å; A573-L604 HydrophobicContact CB-CD1 4.16Å; W577-L604 HydrophobicContact CZ2-CD2 3.93Å; L602-L604 HydrophobicContact CB-CD2 4.37Å
605	Y	98.7	Very high	89.1	Confident	24 Å²	24	44.9 Å²	44.9	9%	0.094	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.4	173.2	-64.5	-95.1	0	0	0	108.7	I339 V476 E515 H516 V518 V603	I339-Y605 HydrophobicContact CD1-CD1 3.65Å; I339-Y605 HydrophobicContact CD1-CD2 4.26Å; I339-Y605 HydrophobicContact CD1-CE1 3.4Å; I339-Y605 HydrophobicContact CD1-CE2 4.02Å; I339-Y605 HydrophobicContact CD1-CG 4.09Å; I339-Y605 HydrophobicContact CG2-CE2 4.46Å; V476-Y605 HydrophobicContact CB-CD1 4.4Å; V476-Y605 HydrophobicContact CB-CE1 4.24Å; V476-Y605 HydrophobicContact CG1-CD1 4.16Å; V476-Y605 HydrophobicContact CG1-CE1 3.68Å; V476-Y605 HydrophobicContact CG2-CD1 3.65Å; V476-Y605 HydrophobicContact CG2-CE1 3.56Å; E515-Y605 PolarHBondContact N-O 2.01Å; H516-Y605 HydrophobicContact CB-CD2 4.1Å; H516-Y605 HydrophobicContact CB-CG 4.36Å; H516-Y605 WeakPolarHBondContact O-CB 3.27Å; H516-Y605 PolarHBondContact O-N 2.91Å; V518-Y605 HydrophobicContact CB-CE2 4.39Å; V518-Y605 HydrophobicContact CG2-CD2 4.47Å; V518-Y605 HydrophobicContact CG2-CE2 3.96Å; V603-Y605 HydrophobicContact CB-CE2 4.09Å; V603-Y605 HydrophobicContact CG1-CD2 4.18Å; V603-Y605 HydrophobicContact CG1-CE2 3.44Å; V603-Y605 VanDerWaalsContact CG1-CE2 3.44Å
606	G	97.8	Very high	86.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-149.4	175.8	0	0	0	0	0	113.5	H475 Y513	H475-G606 PolarHBondContact N-O 2.88Å; H475-G606 PolarHBondContact O-N 3.45Å; H475-G606 VanDerWaalsContact O-N 3.16Å; Y513-G606 CarbonylContact O-C 3.56Å; Y513-G606 VanDerWaalsContact O-CA 3.23Å; Y513-G606 WeakPolarHBondContact O-CA 3.25Å
607	T	97.6	Very high	83.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.9	-171.5	52.6	0	0	0	0	112	P472 I512 Y513 V609	P472-T607 HydrophobicContact CB-CG2 3.85Å; P472-T607 HydrophobicContact CG-CG2 4.25Å; I512-T607 PolarHBondContact N-O 3.43Å; Y513-T607 PolarHBondContact N-O 2.63Å; Y513-T607 PolarHBondContact O-N 2.91Å; T607-V609 VanDerWaalsContact C-N 3.34Å; T607-V609 WeakPolarHBondContact CB-O 3.32Å; T607-V609 PolarHBondContact OG1-O 3.5Å
608	S	95.5	Very high	80.4	Confident	36 Å²	36	65.7 Å²	65.7	25%	0.252	33%	0.331	S	S	.	.	S	Bend	trans	-81.3	-14.8	174.5	58.4	0	0	0	0	113.2	K510 I512	K510-S608 WeakPolarHBondContact O-CB 3.45Å; I512-S608 WeakPolarHBondContact CD1-O 3.32Å
609	V	93.8	Very high	77.5	Confident	76 Å²	76	72.5 Å²	72.5	46%	0.461	35%	0.354	S	S	.	.	S	Bend	trans	-128.3	147.7	-178.6	-177.7	0	0	0	0	108.7	P472 T607	P472-V609 HydrophobicContact CG-CB 4.44Å; T607-V609 VanDerWaalsContact C-N 3.34Å; T607-V609 WeakPolarHBondContact CB-O 3.32Å; T607-V609 PolarHBondContact OG1-O 3.5Å
610	H	93.1	Very high	74.9	Confident	73 Å²	73	79 Å²	79	34%	0.338	38%	0.381	S	S	.	.			trans	-59.5	123.8	-178.4	-171.4	-80.2	0	0	0	110.9	Y513 Y612 S613	Y513-H610 AromaticContact CD1-CD2 3.97Å; Y513-H610 HydrophobicContact CD2-CB 4.29Å; Y513-H610 HydrophobicContact CE1-CB 4.36Å; Y513-H610 AromaticContact CE1-CD2 3.5Å; Y513-H610 VanDerWaalsContact CE2-CA 3.47Å; Y513-H610 HydrophobicContact CE2-CB 3.74Å; Y513-H610 VanDerWaalsContact CE2-N 3.26Å; Y513-H610 AromaticContact CZ-CD2 3.75Å; H610-Y612 AromaticContact CE1-CD2 3.71Å; H610-Y612 PolarHBondContact ND1-N 3.48Å; H610-Y612 PolarHBondContact O-N 2.92Å; H610-Y612 VanDerWaalsContact O-N 3.09Å; H610-S613 PolarHBondContact O-N 3.2Å; H610-S613 VanDerWaalsContact O-N 3.13Å; H610-S613 PolarHBondContact O-OG 3.15Å
611	P	88.8	Confident	72.1	Confident	17 Å²	17	86.6 Å²	86.6	11%	0.11	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.6	-168.2	23.5	-33.9	0	0	0	113.7	V471	V471-P611 HydrophobicContact CB-CB 4.42Å; V471-P611 HydrophobicContact CG1-CB 4.09Å
612	Y	88.3	Confident	69.1	Low	71 Å²	71	93.1 Å²	93.1	28%	0.278	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	13.9	-178.6	-40.6	-47.9	0	0	0	114	H422 Y445 W468 H610 T614	H422-Y612 AromaticContact ND1-CE1 3.79Å; H422-Y612 AromaticContact ND1-CZ 3.69Å; H422-Y612 PolarHBondContact ND1-OH 2.91Å; Y445-Y612 WeakPolarHBondContact OH-CE2 3.05Å; W468-Y612 HydrophobicContact CH2-CD1 4.03Å; W468-Y612 AromaticContact CH2-CE1 3.46Å; W468-Y612 HydrophobicContact CH2-CE1 3.46Å; W468-Y612 VanDerWaalsContact CH2-CE1 3.46Å; W468-Y612 HydrophobicContact CZ2-CE1 4.03Å; W468-Y612 HydrophobicContact CZ3-CE1 4.34Å; H610-Y612 AromaticContact CE1-CD2 3.71Å; H610-Y612 PolarHBondContact ND1-N 3.48Å; H610-Y612 PolarHBondContact O-N 2.92Å; H610-Y612 VanDerWaalsContact O-N 3.09Å; Y612-T614 PolarHBondContact O-N 3.42Å
613	S	74.3	Confident	66.8	Low	65 Å²	65	98.1 Å²	98.1	46%	0.455	49%	0.487	S	S	.	.			trans	-70.1	122.7	177.9	55.8	0	0	0	0	110.6	H610 Q615	H610-S613 PolarHBondContact O-N 3.2Å; H610-S613 VanDerWaalsContact O-N 3.13Å; H610-S613 PolarHBondContact O-OG 3.15Å; S613-Q615 PolarHBondContact O-N 3.44Å
614	T	51.9	Low	63.8	Low	115 Å²	115	106 Å²	106	71%	0.706	53%	0.528	S	S	*	.			trans	-66.8	118.5	163.8	32.4	0	0	0	0	107	Y612 Q616	Y612-T614 PolarHBondContact O-N 3.42Å; T614-Q616 VanDerWaalsContact C-N 3.31Å; T614-Q616 PolarHBondContact O-N 3.35Å
615	Q	41.1	Very low	60.6	Low	186 Å²	186	114.4 Å²	114.4	87%	0.869	57%	0.568	S	S	*	*			trans	-53.6	97.9	170	-72.4	179.4	-12.1	0	0	108.7	S613 K617	S613-Q615 PolarHBondContact O-N 3.44Å; Q615-K617 PolarHBondContact O-N 2.84Å
616	Q	36.6	Very low	58	Low	180 Å²	180	118.9 Å²	118.9	84%	0.841	60%	0.6	S	S	*	*			trans	-60.6	116.7	151.5	-84.9	-176.8	-16.5	0	0	104.6	T614 D618	T614-Q616 VanDerWaalsContact C-N 3.31Å; T614-Q616 PolarHBondContact O-N 3.35Å; Q616-D618 PolarHBondContact O-N 3.07Å
617	K	32.2	Very low	55.6	Low	201 Å²	201	127.4 Å²	127.4	87%	0.874	64%	0.64	S	S	*	*			trans	-51.5	116.3	170.8	-79.6	178.3	172.5	179	0	107.8	Q615 R619	Q615-K617 PolarHBondContact O-N 2.84Å; K617-R619 PolarHBondContact O-N 3.16Å
618	D	32	Very low	52.5	Low	150 Å²	150	135.3 Å²	135.3	80%	0.802	68%	0.682	S	S	*	*			trans	-48.7	111.6	166.8	-73.5	-46.3	0	0	0	108.9	Q616 F620	Q616-D618 PolarHBondContact O-N 3.07Å; D618-F620 PolarHBondContact O-N 3.07Å
619	R	32.3	Very low	50.3	Low	237 Å²	237	142.3 Å²	142.3	89%	0.894	71%	0.71	S	S	*	*			trans	-76.3	107.9	151.9	-87	-174.8	173.2	-178.6	-1.8	105.4	K617 I621	K617-R619 PolarHBondContact O-N 3.16Å; R619-I621 PolarHBondContact O-N 3.31Å
620	F	38.8	Very low	47.5	Very low	204 Å²	204	148.5 Å²	148.5	90%	0.895	73%	0.731	S	S	*	*			trans	-31.7	118.7	165.6	-75.5	-95.6	0	0	0	112.1	D618	D618-F620 PolarHBondContact O-N 3.07Å
621	I	33.8	Very low	45.3	Very low	167 Å²	167	151.9 Å²	151.9	86%	0.856	76%	0.757	S	S	*	*			trans	-131.9	117.1	151.4	-58.7	-177.2	0	0	0	106.1	R619	R619-I621 PolarHBondContact O-N 3.31Å
622	D	31.3	Very low	43.4	Very low	153 Å²	153	160 Å²	160	82%	0.818	79%	0.794	S	S	*	*			trans	-66	155.9	-179.9	-140.8	11.1	0	0	0	111.2
623	P	47.8	Very low	41.9	Very low	105 Å²	105	165.2 Å²	165.2	68%	0.682	82%	0.821	S	S	*	*			trans	-92.7	140.5	-169.1	35.3	-29.3	0	0	0	112.1
624	L	35.8	Very low	41.6	Very low	165 Å²	165	165.7 Å²	165.7	86%	0.864	81%	0.813	S	S	*	*			trans	-159.5	107.4	156.1	-97.7	154.5	0	0	0	109.2
625	Q	32.2	Very low	42.3	Very low	177 Å²	177	168 Å²	168	83%	0.827	82%	0.821	S	S	*	*			trans	20	175	145.6	-55.1	-173.3	-18	0	0	122.2
626	P	43.8	Very low	43.9	Very low	118 Å²	118	160.5 Å²	160.5	77%	0.766	79%	0.794	S	S	*	*				-119.3	-173.1	-67.2	35	-16.5	0	0	0	111.1
627	E	45.7	Very low	45.8	Very low	179 Å²	179	157.1 Å²	157.1	84%	0.836	79%	0.788	S	S	*	*			trans	-36.8	139.6	179.4	-61.4	169.3	164.6	0	0	117.2
628	D	33.6	Very low	48.3	Very low	166 Å²	166	150.2 Å²	150.2	89%	0.888	76%	0.764	S	S	*	*				-172.7	134.8	127.8	-95.4	-26.6	0	0	0	112.6
629	E	48.9	Very low	50.8	Low	184 Å²	184	144.8 Å²	144.8	86%	0.86	74%	0.735	S	S	*	*			trans	-67.4	125.8	165.7	-78.4	176.1	136.2	0	0	110.1
630	F	35.3	Very low	53.5	Low	205 Å²	205	139.1 Å²	139.1	90%	0.899	73%	0.727	S	S	*	*			trans	-162.8	133.9	142.1	-101.4	-76	0	0	0	109.8	E632	F630-E632 PolarHBondContact O-N 3.01Å
631	T	47.3	Very low	55.8	Low	144 Å²	144	131 Å²	131	88%	0.883	69%	0.692	S	S	*	*			trans	-71.7	106.3	177	46.5	0	0	0	0	110.7
632	E	48.1	Very low	58.4	Low	188 Å²	188	123.7 Å²	123.7	88%	0.879	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-94.2	133.5	165.8	-75.9	-163.5	159.9	0	0	111	F630 Y634	F630-E632 PolarHBondContact O-N 3.01Å; E632-Y634 PolarHBondContact O-N 3.42Å
633	E	57.4	Low	60.7	Low	181 Å²	181	118.4 Å²	118.4	85%	0.846	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-73.7	118.7	175.1	-153.3	169.9	-159.6	0	0	109.1	N635	E633-N635 PolarHBondContact O-N 3.08Å
634	Y	68.1	Low	62.3	Low	75 Å²	75	123 Å²	123	29%	0.294	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-68	117.2	-173.4	172.7	-97.6	0	0	0	112	E632 G636 P637 C647 E648 G649 P650	E632-Y634 PolarHBondContact O-N 3.42Å; Y634-G636 VanDerWaalsContact CE1-C 3.45Å; Y634-G636 WeakPolarHBondContact CE1-O 3.43Å; Y634-G636 WeakPolarHBondContact OH-CA 3.41Å; Y634-P637 PolarHBondContact OH-O 3.07Å; Y634-C647 WeakPolarHBondContact CD1-O 3.41Å; Y634-C647 VanDerWaalsContact CE1-SG 3.53Å; Y634-E648 WeakPolarHBondContact CB-O 3.05Å; Y634-G649 VanDerWaalsContact CD1-N 3.32Å; Y634-G649 VanDerWaalsContact CE1-C 3.48Å; Y634-G649 VanDerWaalsContact CE1-CA 3.46Å; Y634-P650 WeakPolarHBondContact OH-CA 3.36Å; Y634-P650 VanDerWaalsContact OH-CB 3.26Å; Y634-P650 WeakPolarHBondContact OH-CB 3.47Å; Y634-P650 WeakPolarHBondContact OH-CD 3.29Å
635	N	66.3	Low	64.2	Low	163 Å²	163	119.9 Å²	119.9	87%	0.872	62%	0.624	S	S	*	*			trans	-101.6	16.9	-179.1	-79.7	-39.4	0	0	0	114.5	E633	E633-N635 PolarHBondContact O-N 3.08Å
636	G	73.8	Confident	66.1	Low	29 Å²	29	112.8 Å²	112.8	30%	0.299	60%	0.597	S	S	.	*	S	Bend	trans	-89.7	171.8	178.8	0	0	0	0	0	113.7	Y634 C638	Y634-G636 VanDerWaalsContact CE1-C 3.45Å; Y634-G636 WeakPolarHBondContact CE1-O 3.43Å; Y634-G636 WeakPolarHBondContact OH-CA 3.41Å; G636-C638 PolarHBondContact O-N 2.81Å
637	P	78.2	Confident	67.9	Low	109 Å²	109	107.7 Å²	107.7	71%	0.708	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-64.5	136.5	175.8	27.7	-32.9	0	0	0	110.1	Y634 P650	Y634-P637 PolarHBondContact OH-O 3.07Å; P637-P650 WeakPolarHBondContact O-CA 3.49Å
638	C	83.4	Confident	69.8	Low	55 Å²	55	106.2 Å²	106.2	37%	0.372	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-80.2	156.5	174.1	-63.6	0	0	0	0	111.7	G636 C642 C647	G636-C638 PolarHBondContact O-N 2.81Å; C638-C642 HydrophobicContact CB-CB 3.99Å; C638-C647 WeakPolarHBondContact CA-SG 3.02Å; C638-C647 HydrophobicContact CB-CB 3.73Å; C638-C647 WeakPolarHBondContact CB-SG 3.48Å; C638-C647 WeakPolarHBondContact SG-CB 3.36Å; C638-C647 PolarHBondContact SG-N 3.31Å; C638-C647 CovalentContact SG-SG 2.03Å; C638-C647 PolarHBondContact SG-SG 3.28Å
639	D	85.6	Confident	72	Confident	37 Å²	37	98.5 Å²	98.5	20%	0.198	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-58.9	146.1	168.5	-170	-81.3	0	0	0	110.3	E641 C642 P652	D639-E641 PolarHBondContact O-N 2.98Å; D639-E641 VanDerWaalsContact O-N 3.13Å; D639-E641 WeakPolarHBondContact OD1-CB 3.4Å; D639-E641 PolarHBondContact OD1-N 2.87Å; D639-C642 VanDerWaalsContact O-CB 3.3Å; D639-C642 WeakPolarHBondContact O-CB 3.48Å; D639-C642 PolarHBondContact O-N 3.44Å; D639-C642 PolarHBondContact O-SG 2.79Å; D639-P652 HydrophobicContact CB-CB 4.41Å; D639-P652 WeakPolarHBondContact OD2-CD 3.14Å
640	T	87.9	Confident	73.6	Confident	118 Å²	118	93.5 Å²	93.5	72%	0.724	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	-177.9	51.4	0	0	0	0	113.4
641	E	88.6	Confident	75.8	Confident	33 Å²	33	84.3 Å²	84.3	15%	0.154	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.6	174.7	-65.2	-59.6	139.7	0	0	113.7	D639 C658 L659 H660 C672 S674	D639-E641 PolarHBondContact O-N 2.98Å; D639-E641 VanDerWaalsContact O-N 3.13Å; D639-E641 WeakPolarHBondContact OD1-CB 3.4Å; D639-E641 PolarHBondContact OD1-N 2.87Å; E641-C658 WeakPolarHBondContact O-CA 3.48Å; E641-L659 WeakPolarHBondContact O-CB 3.28Å; E641-L659 PolarHBondContact O-N 2.9Å; E641-H660 IonicContact OE1-ND1 2.64Å; E641-H660 IonicContact OE2-CE1 3.03Å; E641-H660 IonicContact OE2-CG 3.51Å; E641-H660 IonicContact OE2-ND1 3.49Å; E641-H660 PolarHBondContact OE2-ND1 2.89Å; E641-C672 HydrophobicContact CB-CB 3.68Å; E641-S674 WeakPolarHBondContact OE1-CB 3.1Å; E641-S674 WeakPolarHBondContact OE2-CA 3.49Å; E641-S674 PolarHBondContact OE2-N 3.11Å
642	C	86.7	Confident	77.5	Confident	13 Å²	13	79.3 Å²	79.3	9%	0.088	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-79.9	143.8	169.6	-55.3	0	0	0	0	110.6	C638 D639 C655	C638-C642 HydrophobicContact CB-CB 3.99Å; D639-C642 VanDerWaalsContact O-CB 3.3Å; D639-C642 WeakPolarHBondContact O-CB 3.48Å; D639-C642 PolarHBondContact O-N 3.44Å; D639-C642 PolarHBondContact O-SG 2.79Å; C642-C655 WeakPolarHBondContact CA-SG 3.1Å; C642-C655 HydrophobicContact CB-CB 3.7Å; C642-C655 WeakPolarHBondContact CB-SG 3.5Å; C642-C655 PolarHBondContact N-SG 3.22Å; C642-C655 WeakPolarHBondContact SG-CA 3.42Å; C642-C655 WeakPolarHBondContact SG-CB 3.48Å; C642-C655 CovalentContact SG-SG 2.03Å; C642-C655 PolarHBondContact SG-SG 3.37Å
643	N	81	Confident	79.3	Confident	42 Å²	42	75 Å²	75	23%	0.225	41%	0.413	C	S	.	.			trans	-82.8	-179	173.8	80	-15.1	0	0	0	111.9	N645 G646 N657	N643-N645 PolarHBondContact O-N 2.02Å; N643-N645 WeakPolarHBondContact OD1-CB 3.3Å; N643-N645 PolarHBondContact OD1-N 2.84Å; N643-N645 VanDerWaalsContact OD1-N 3.12Å; N643-G646 PolarHBondContact O-N 2.83Å; N643-N657 VanDerWaalsContact CG-CB 3.44Å; N643-N657 PolarHBondContact N-O 3.33Å; N643-N657 WeakPolarHBondContact ND2-CB 2.88Å; N643-N657 VanDerWaalsContact OD1-CB 3.29Å; N643-N657 WeakPolarHBondContact OD1-CB 3.24Å; N643-N657 PolarHBondContact OD1-O 3.37Å
644	E	79.9	Confident	80.6	Confident	201 Å²	201	69.7 Å²	69.7	94%	0.939	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-7	-178.1	-62.2	-179.8	179.7	0	0	115	G646	E644-G646 VanDerWaalsContact C-N 3.25Å; E644-G646 PolarHBondContact O-N 2.78Å
645	N	75.6	Confident	81.3	Confident	101 Å²	101	67 Å²	67	54%	0.54	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	7.6	-177.9	-63.1	-0.4	0	0	0	113.9	N643 N657	N643-N645 PolarHBondContact O-N 2.02Å; N643-N645 WeakPolarHBondContact OD1-CB 3.3Å; N643-N645 PolarHBondContact OD1-N 2.84Å; N643-N645 VanDerWaalsContact OD1-N 3.12Å; N645-N657 PolarHBondContact ND2-ND2 2.78Å
646	G	73.6	Confident	82.2	Confident	27 Å²	27	63.3 Å²	63.3	28%	0.278	36%	0.36	S	S	.	.			trans	84.3	179.4	176.8	0	0	0	0	0	114.8	N643 E644 I656	N643-G646 PolarHBondContact O-N 2.83Å; E644-G646 VanDerWaalsContact C-N 3.25Å; E644-G646 PolarHBondContact O-N 2.78Å; G646-I656 WeakPolarHBondContact O-CB 3.14Å; G646-I656 PolarHBondContact O-N 3.01Å
647	C	81.3	Confident	82.7	Confident	11 Å²	11	65.3 Å²	65.3	7%	0.074	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-145.1	157.7	-176.6	63.1	0	0	0	0	110	Y634 C638 G649 H654	Y634-C647 WeakPolarHBondContact CD1-O 3.41Å; Y634-C647 VanDerWaalsContact CE1-SG 3.53Å; C638-C647 WeakPolarHBondContact CA-SG 3.02Å; C638-C647 HydrophobicContact CB-CB 3.73Å; C638-C647 WeakPolarHBondContact CB-SG 3.48Å; C638-C647 WeakPolarHBondContact SG-CB 3.36Å; C638-C647 PolarHBondContact SG-N 3.31Å; C638-C647 CovalentContact SG-SG 2.03Å; C638-C647 PolarHBondContact SG-SG 3.28Å; C647-G649 VanDerWaalsContact C-N 3.32Å; C647-G649 WeakPolarHBondContact CB-O 3.33Å; C647-G649 PolarHBondContact SG-O 3.22Å; C647-H654 CarbonylContact C-O 3.5Å; C647-H654 VanDerWaalsContact CA-O 3.29Å; C647-H654 WeakPolarHBondContact CA-O 3.23Å; C647-H654 WeakPolarHBondContact CB-O 3.09Å
648	E	84.4	Confident	83.1	Confident	149 Å²	149	61.3 Å²	61.3	70%	0.696	34%	0.338	S	S	*	.	S	Bend	trans	-92.9	4.1	175.6	-63.2	172.7	-177.7	0	0	111.5	Y634 H654 I656	Y634-E648 WeakPolarHBondContact CB-O 3.05Å; E648-H654 PolarHBondContact N-O 2.93Å; E648-I656 HydrophobicContact CG-CG1 4.27Å
649	G	81.8	Confident	83.3	Confident	3 Å²	3	62.1 Å²	62.1	3%	0.031	34%	0.338	C	S	.	.	S	Bend	trans	176.5	169.7	-175.1	0	0	0	0	0	113.4	Y634 C647 G651 H654	Y634-G649 VanDerWaalsContact CD1-N 3.32Å; Y634-G649 VanDerWaalsContact CE1-C 3.48Å; Y634-G649 VanDerWaalsContact CE1-CA 3.46Å; C647-G649 VanDerWaalsContact C-N 3.32Å; C647-G649 WeakPolarHBondContact CB-O 3.33Å; C647-G649 PolarHBondContact SG-O 3.22Å; G649-G651 VanDerWaalsContact C-N 3.26Å; G649-G651 PolarHBondContact O-N 3.11Å; G649-H654 WeakPolarHBondContact O-CB 3.27Å
650	P	82.4	Confident	83.4	Confident	79 Å²	79	64.1 Å²	64.1	51%	0.513	35%	0.346	S	S	.	.	S	Bend	trans	-79.5	-3.3	-171.6	29.4	-32.1	0	0	0	114.5	Y634 P637	Y634-P650 WeakPolarHBondContact OH-CA 3.36Å; Y634-P650 VanDerWaalsContact OH-CB 3.26Å; Y634-P650 WeakPolarHBondContact OH-CB 3.47Å; Y634-P650 WeakPolarHBondContact OH-CD 3.29Å; P637-P650 WeakPolarHBondContact O-CA 3.49Å
651	G	79.7	Confident	83.5	Confident	12 Å²	12	61 Å²	61	12%	0.124	32%	0.321	C	S	.	.	S	Bend	trans	-98.8	157.2	-173.4	0	0	0	0	0	112.3	G649 H653 H654	G649-G651 VanDerWaalsContact C-N 3.26Å; G649-G651 PolarHBondContact O-N 3.11Å; G651-H653 PolarHBondContact O-N 3.17Å; G651-H654 PolarHBondContact O-N 3.16Å
652	P	83	Confident	83.4	Confident	39 Å²	39	61 Å²	61	25%	0.253	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.5	-176.4	26.6	-32.8	0	0	0	113.5	D639 M671 C672	D639-P652 HydrophobicContact CB-CB 4.41Å; D639-P652 WeakPolarHBondContact OD2-CD 3.14Å; P652-M671 HydrophobicContact CB-CG 4.35Å; P652-M671 HydrophobicContact CG-CG 4.44Å; P652-M671 WeakPolarHBondContact O-CA 3.43Å; P652-C672 PolarHBondContact O-N 3.47Å
653	H	86	Confident	83.4	Confident	98 Å²	98	61 Å²	61	45%	0.454	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.2	175.2	57.1	-77.5	0	0	0	113.7	G651 R670 M671	G651-H653 PolarHBondContact O-N 3.17Å; H653-R670 VanDerWaalsContact CA-O 3.27Å; H653-R670 WeakPolarHBondContact CA-O 3.44Å; H653-R670 WeakPolarHBondContact CB-O 3.19Å; H653-M671 HydrophobicContact CB-CB 4.5Å
654	H	85.8	Confident	83.4	Confident	69 Å²	69	63.7 Å²	63.7	32%	0.319	33%	0.33	S	S	.	.	S	Bend	trans	-102.5	4.4	176.9	-59.5	141.1	0	0	0	112.4	C647 E648 G649 G651 I656	C647-H654 CarbonylContact C-O 3.5Å; C647-H654 VanDerWaalsContact CA-O 3.29Å; C647-H654 WeakPolarHBondContact CA-O 3.23Å; C647-H654 WeakPolarHBondContact CB-O 3.09Å; E648-H654 PolarHBondContact N-O 2.93Å; G649-H654 WeakPolarHBondContact O-CB 3.27Å; G651-H654 PolarHBondContact O-N 3.16Å; H654-I656 PolarHBondContact O-N 3.1Å
655	C	83.4	Confident	83.2	Confident	19 Å²	19	58.1 Å²	58.1	13%	0.128	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-68.7	131.6	174	-56	0	0	0	0	110.6	C642 N657 C672	C642-C655 WeakPolarHBondContact CA-SG 3.1Å; C642-C655 HydrophobicContact CB-CB 3.7Å; C642-C655 WeakPolarHBondContact CB-SG 3.5Å; C642-C655 PolarHBondContact N-SG 3.22Å; C642-C655 WeakPolarHBondContact SG-CA 3.42Å; C642-C655 WeakPolarHBondContact SG-CB 3.48Å; C642-C655 CovalentContact SG-SG 2.03Å; C642-C655 PolarHBondContact SG-SG 3.37Å; C655-N657 VanDerWaalsContact C-N 3.29Å; C655-N657 PolarHBondContact O-N 3.47Å; C655-C672 WeakPolarHBondContact CB-SG 3.42Å
656	I	84.2	Confident	83	Confident	85 Å²	85	64 Å²	64	44%	0.436	32%	0.323	S	S	.	.	S	Bend	trans	-65.2	-40.5	173.7	-65.3	171	0	0	0	109.6	G646 E648 H654	G646-I656 WeakPolarHBondContact O-CB 3.14Å; G646-I656 PolarHBondContact O-N 3.01Å; E648-I656 HydrophobicContact CG-CG1 4.27Å; H654-I656 PolarHBondContact O-N 3.1Å
657	N	83.8	Confident	82.8	Confident	72 Å²	72	67.9 Å²	67.9	39%	0.385	34%	0.338	S	S	.	.	S	Bend	trans	-141.1	148.3	171.3	-84.2	-37.3	0	0	0	111.1	N643 N645 C655	N643-N657 VanDerWaalsContact CG-CB 3.44Å; N643-N657 PolarHBondContact N-O 3.33Å; N643-N657 WeakPolarHBondContact ND2-CB 2.88Å; N643-N657 VanDerWaalsContact OD1-CB 3.29Å; N643-N657 WeakPolarHBondContact OD1-CB 3.24Å; N643-N657 PolarHBondContact OD1-O 3.37Å; N645-N657 PolarHBondContact ND2-ND2 2.78Å; C655-N657 VanDerWaalsContact C-N 3.29Å; C655-N657 PolarHBondContact O-N 3.47Å
658	C	87.1	Confident	82.3	Confident	24 Å²	24	72.8 Å²	72.8	16%	0.162	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-88.8	140.4	-179.4	-55.9	0	0	0	0	112	E641 F662 C672	E641-C658 WeakPolarHBondContact O-CA 3.48Å; C658-F662 HydrophobicContact CB-CB 4.23Å; C658-F662 WeakPolarHBondContact SG-CB 2.86Å; C658-C672 WeakPolarHBondContact CA-SG 2.95Å; C658-C672 HydrophobicContact CB-CB 3.56Å; C658-C672 WeakPolarHBondContact CB-SG 3.3Å; C658-C672 WeakPolarHBondContact SG-CA 3.12Å; C658-C672 WeakPolarHBondContact SG-CB 3.08Å; C658-C672 CovalentContact SG-SG 2.01Å; C658-C672 PolarHBondContact SG-SG 3.09Å
659	L	86.6	Confident	81.9	Confident	73 Å²	73	68.7 Å²	68.7	38%	0.382	35%	0.348	S	S	.	.	S	Bend	trans	-62.3	-53	173.9	-176.9	62.4	0	0	0	110.8	E641 K686	E641-L659 WeakPolarHBondContact O-CB 3.28Å; E641-L659 PolarHBondContact O-N 2.9Å; L659-K686 PolarHBondContact O-NZ 2.92Å
660	H	88.7	Confident	82	Confident	78 Å²	78	75.3 Å²	75.3	36%	0.361	37%	0.372	S	S	.	.	S	Bend	trans	-102.2	-88.6	-177.5	-62.7	104.5	0	0	0	112.6	E641 V673 K686	E641-H660 IonicContact OE1-ND1 2.64Å; E641-H660 IonicContact OE2-CE1 3.03Å; E641-H660 IonicContact OE2-CG 3.51Å; E641-H660 IonicContact OE2-ND1 3.49Å; E641-H660 PolarHBondContact OE2-ND1 2.89Å; H660-V673 WeakPolarHBondContact CB-O 3.32Å; H660-K686 WeakPolarHBondContact O-CB 3.17Å; H660-K686 WeakPolarHBondContact O-CD 3.15Å; H660-K686 WeakPolarHBondContact O-CG 3.24Å
661	Y	89.1	Confident	82.2	Confident	52 Å²	52	74.3 Å²	74.3	20%	0.204	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.1	-176.7	-54.1	-79.7	0	0	0	111.4	C672 V673 S674 R682 K686	Y661-C672 CarbonylContact O-C 3.54Å; Y661-C672 WeakPolarHBondContact O-CA 3.47Å; Y661-V673 PolarHBondContact N-O 2.9Å; Y661-V673 PolarHBondContact O-N 2.86Å; Y661-S674 VanDerWaalsContact CD2-O 3.28Å; Y661-S674 WeakPolarHBondContact CD2-O 3.49Å; Y661-S674 WeakPolarHBondContact CE2-O 3.25Å; Y661-R682 HydrophobicContact CD1-CB 4.22Å; Y661-R682 HydrophobicContact CE1-CB 3.73Å; Y661-K686 VanDerWaalsContact CA-O 3.25Å; Y661-K686 WeakPolarHBondContact CA-O 3.36Å; Y661-K686 HydrophobicContact CD1-CB 4.27Å
662	F	88	Confident	82.7	Confident	35 Å²	35	74 Å²	74	15%	0.154	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.6	171.1	74.4	-86.8	0	0	0	111.9	C658 R670 M671 K686 R687 C688	C658-F662 HydrophobicContact CB-CB 4.23Å; C658-F662 WeakPolarHBondContact SG-CB 2.86Å; F662-R670 HydrophobicContact CD2-CG 4.37Å; F662-M671 CarbonylContact C-O 3.58Å; F662-M671 WeakPolarHBondContact CA-O 3.28Å; F662-K686 VanDerWaalsContact CD1-O 3.3Å; F662-K686 WeakPolarHBondContact CD1-O 3.41Å; F662-K686 PolarHBondContact N-O 3.28Å; F662-R687 HydrophobicContact CD1-CB 4.43Å; F662-R687 HydrophobicContact CD2-CG 4.39Å; F662-R687 HydrophobicContact CE1-CB 3.87Å; F662-R687 HydrophobicContact CE1-CG 4.2Å; F662-R687 HydrophobicContact CE2-CB 4.45Å; F662-R687 HydrophobicContact CE2-CG 3.86Å; F662-R687 HydrophobicContact CZ-CB 3.91Å; F662-R687 HydrophobicContact CZ-CG 3.78Å; F662-C688 PolarHBondContact O-N 3.35Å
663	L	86.9	Confident	83	Confident	13 Å²	13	73.4 Å²	73.4	7%	0.068	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.6	171.7	-172.8	69.3	0	0	0	108.8	F665 R670 M671 P677 F680 C688	L663-F665 HydrophobicContact CD2-CE1 4.05Å; L663-F665 HydrophobicContact CD2-CE2 4.2Å; L663-F665 HydrophobicContact CD2-CZ 3.65Å; L663-F665 HydrophobicContact CG-CZ 4.38Å; L663-R670 CarbonylContact O-C 3.56Å; L663-R670 WeakPolarHBondContact O-CA 3.35Å; L663-M671 PolarHBondContact N-O 2.95Å; L663-M671 PolarHBondContact O-N 3.2Å; L663-P677 HydrophobicContact CD2-CG 4.21Å; L663-F680 HydrophobicContact CD1-CD1 3.66Å; L663-F680 HydrophobicContact CD1-CD2 4.36Å; L663-F680 HydrophobicContact CD1-CE1 3.64Å; L663-F680 HydrophobicContact CD1-CE2 4.34Å; L663-F680 HydrophobicContact CD1-CG 4.05Å; L663-F680 HydrophobicContact CD1-CZ 3.99Å; L663-C688 HydrophobicContact CD1-CB 3.74Å
664	K	81.2	Confident	83	Confident	97 Å²	97	72 Å²	72	42%	0.422	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.5	179.7	-170.4	-178.5	178.5	-171.2	0	110.4	N668	K664-N668 WeakPolarHBondContact CE-OD1 3.36Å; K664-N668 PolarHBondContact NZ-OD1 3.09Å
665	F	75.7	Confident	83.1	Confident	85 Å²	85	76 Å²	76	37%	0.373	37%	0.373	S	S	.	.			trans	-88.5	163.2	177.2	-66.1	-81.1	0	0	0	112	L663 N667 N668 T669 M671	L663-F665 HydrophobicContact CD2-CE1 4.05Å; L663-F665 HydrophobicContact CD2-CE2 4.2Å; L663-F665 HydrophobicContact CD2-CZ 3.65Å; L663-F665 HydrophobicContact CG-CZ 4.38Å; F665-N667 WeakPolarHBondContact CB-OD1 3.48Å; F665-N667 PolarHBondContact O-N 2.98Å; F665-N668 PolarHBondContact O-N 2.81Å; F665-T669 PolarHBondContact N-O 3.12Å; F665-M671 HydrophobicContact CE2-CB 3.74Å; F665-M671 HydrophobicContact CE2-CE 3.9Å; F665-M671 HydrophobicContact CE2-SD 4.05Å; F665-M671 HydrophobicContact CZ-CE 4.16Å; F665-M671 HydrophobicContact CZ-SD 4.17Å
666	K	71.1	Confident	83.3	Confident	224 Å²	224	76.4 Å²	76.4	97%	0.974	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.6	-176.9	-72.2	-173.8	176.9	-177.4	0	113.9	N668	K666-N668 PolarHBondContact O-N 2.99Å
667	N	69	Low	83.4	Confident	108 Å²	108	75 Å²	75	58%	0.578	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	13.8	173.4	63.7	-9.3	0	0	0	113.1	F665 T669	F665-N667 WeakPolarHBondContact CB-OD1 3.48Å; F665-N667 PolarHBondContact O-N 2.98Å; N667-T669 WeakPolarHBondContact ND2-CG2 3.3Å; N667-T669 PolarHBondContact ND2-OG1 3.24Å; N667-T669 PolarHBondContact O-N 3.47Å; N667-T669 PolarHBondContact OD1-N 2.71Å; N667-T669 VanDerWaalsContact OD1-N 3.14Å; N667-T669 PolarHBondContact OD1-OG1 3.04Å
668	N	69.7	Low	83.4	Confident	114 Å²	114	76.1 Å²	76.1	61%	0.61	39%	0.386	S	S	*	.	S	Bend	trans	64.6	3.3	-174.4	-79.7	-33.4	0	0	0	116.4	K664 F665 K666	K664-N668 WeakPolarHBondContact CE-OD1 3.36Å; K664-N668 PolarHBondContact NZ-OD1 3.09Å; F665-N668 PolarHBondContact O-N 2.81Å; K666-N668 PolarHBondContact O-N 2.99Å
669	T	76.7	Confident	83.4	Confident	63 Å²	63	75.2 Å²	75.2	39%	0.387	38%	0.38	S	S	.	.			trans	-71.7	144.8	174.2	66	0	0	0	0	110.9	F665 N667	F665-T669 PolarHBondContact N-O 3.12Å; N667-T669 WeakPolarHBondContact ND2-CG2 3.3Å; N667-T669 PolarHBondContact ND2-OG1 3.24Å; N667-T669 PolarHBondContact O-N 3.47Å; N667-T669 PolarHBondContact OD1-N 2.71Å; N667-T669 VanDerWaalsContact OD1-N 3.14Å; N667-T669 PolarHBondContact OD1-OG1 3.04Å
670	R	83	Confident	83.5	Confident	142 Å²	142	74.9 Å²	74.9	54%	0.536	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.9	177	-62.6	179.9	-172.7	170.9	3.6	108.4	H653 F662 L663	H653-R670 VanDerWaalsContact CA-O 3.27Å; H653-R670 WeakPolarHBondContact CA-O 3.44Å; H653-R670 WeakPolarHBondContact CB-O 3.19Å; F662-R670 HydrophobicContact CD2-CG 4.37Å; L663-R670 CarbonylContact O-C 3.56Å; L663-R670 WeakPolarHBondContact O-CA 3.35Å
671	M	88.3	Confident	83.5	Confident	59 Å²	59	72.1 Å²	72.1	29%	0.291	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.6	175.8	177.5	-176.2	-74.3	0	0	108.8	P652 H653 F662 L663 F665 V673	P652-M671 HydrophobicContact CB-CG 4.35Å; P652-M671 HydrophobicContact CG-CG 4.44Å; P652-M671 WeakPolarHBondContact O-CA 3.43Å; H653-M671 HydrophobicContact CB-CB 4.5Å; F662-M671 CarbonylContact C-O 3.58Å; F662-M671 WeakPolarHBondContact CA-O 3.28Å; L663-M671 PolarHBondContact N-O 2.95Å; L663-M671 PolarHBondContact O-N 3.2Å; F665-M671 HydrophobicContact CE2-CB 3.74Å; F665-M671 HydrophobicContact CE2-CE 3.9Å; F665-M671 HydrophobicContact CE2-SD 4.05Å; F665-M671 HydrophobicContact CZ-CE 4.16Å; F665-M671 HydrophobicContact CZ-SD 4.17Å; M671-V673 HydrophobicContact CG-CG1 4.39Å
672	C	90.2	Very high	83.5	Confident	5 Å²	5	78.3 Å²	78.3	3%	0.034	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	136.7	176.1	-55.9	0	0	0	0	110.6	E641 P652 C655 C658 Y661	E641-C672 HydrophobicContact CB-CB 3.68Å; P652-C672 PolarHBondContact O-N 3.47Å; C655-C672 WeakPolarHBondContact CB-SG 3.42Å; C658-C672 WeakPolarHBondContact CA-SG 2.95Å; C658-C672 HydrophobicContact CB-CB 3.56Å; C658-C672 WeakPolarHBondContact CB-SG 3.3Å; C658-C672 WeakPolarHBondContact SG-CA 3.12Å; C658-C672 WeakPolarHBondContact SG-CB 3.08Å; C658-C672 CovalentContact SG-SG 2.01Å; C658-C672 PolarHBondContact SG-SG 3.09Å; Y661-C672 CarbonylContact O-C 3.54Å; Y661-C672 WeakPolarHBondContact O-CA 3.47Å
673	V	88.4	Confident	83.2	Confident	27 Å²	27	78.1 Å²	78.1	16%	0.164	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.7	-179.9	-63.3	0	0	0	0	109.4	H660 Y661 M671 E675	H660-V673 WeakPolarHBondContact CB-O 3.32Å; Y661-V673 PolarHBondContact N-O 2.9Å; Y661-V673 PolarHBondContact O-N 2.86Å; M671-V673 HydrophobicContact CG-CG1 4.39Å; V673-E675 VanDerWaalsContact C-N 3.34Å; V673-E675 WeakPolarHBondContact CB-O 3.2Å; V673-E675 VanDerWaalsContact CG2-O 3.27Å; V673-E675 WeakPolarHBondContact CG2-O 3.43Å
674	S	87	Confident	82.7	Confident	67 Å²	67	85.4 Å²	85.4	47%	0.469	43%	0.426	S	S	.	.	S	Bend	trans	-67.6	-35	177.2	53	0	0	0	0	112.2	E641 Y661	E641-S674 WeakPolarHBondContact OE1-CB 3.1Å; E641-S674 WeakPolarHBondContact OE2-CA 3.49Å; E641-S674 PolarHBondContact OE2-N 3.11Å; Y661-S674 VanDerWaalsContact CD2-O 3.28Å; Y661-S674 WeakPolarHBondContact CD2-O 3.49Å; Y661-S674 WeakPolarHBondContact CE2-O 3.25Å
675	E	86.6	Confident	82.6	Confident	153 Å²	153	90 Å²	90	72%	0.715	44%	0.44	S	S	*	.	S	Bend	trans	-139.9	154.5	173.6	-65.8	-168.8	162.1	0	0	111.4	V673	V673-E675 VanDerWaalsContact C-N 3.34Å; V673-E675 WeakPolarHBondContact CB-O 3.2Å; V673-E675 VanDerWaalsContact CG2-O 3.27Å; V673-E675 WeakPolarHBondContact CG2-O 3.43Å
676	C	87.8	Confident	82.9	Confident	29 Å²	29	91.6 Å²	91.6	20%	0.196	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-72.5	129.3	177.8	-66.2	0	0	0	0	111.1	F680 C688	C676-F680 HydrophobicContact CB-CB 4.2Å; C676-C688 WeakPolarHBondContact CA-SG 3.15Å; C676-C688 HydrophobicContact CB-CB 3.82Å; C676-C688 WeakPolarHBondContact CB-SG 3.47Å; C676-C688 WeakPolarHBondContact SG-CA 3.43Å; C676-C688 WeakPolarHBondContact SG-CB 3.42Å; C676-C688 CovalentContact SG-SG 2.05Å; C676-C688 PolarHBondContact SG-SG 2.91Å
677	P	87.6	Confident	83.7	Confident	56 Å²	56	85.3 Å²	85.3	36%	0.364	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-68.4	160.2	-179.1	27.9	-34.4	0	0	0	112	L663 G679 F680	L663-P677 HydrophobicContact CD2-CG 4.21Å; P677-G679 PolarHBondContact O-N 2.9Å; P677-F680 HydrophobicContact CG-CD2 4.01Å; P677-F680 WeakPolarHBondContact O-CB 3.34Å; P677-F680 PolarHBondContact O-N 3.34Å
678	S	83.6	Confident	84.7	Confident	94 Å²	94	80.5 Å²	80.5	66%	0.657	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	137.3	177.4	-55.6	0	0	0	0	112.1	F680	S678-F680 VanDerWaalsContact C-N 3.34Å
679	G	85.4	Confident	85.5	Confident	5 Å²	5	78.8 Å²	78.8	5%	0.052	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	3.8	-170.9	0	0	0	0	0	114.8	P677 C691 E696	P677-G679 PolarHBondContact O-N 2.9Å; G679-C691 VanDerWaalsContact C-SG 3.52Å; G679-C691 WeakPolarHBondContact O-CB 3.33Å; G679-C691 PolarHBondContact O-N 3.18Å; G679-E696 WeakPolarHBondContact CA-O 3.47Å; G679-E696 PolarHBondContact N-O 3.44Å
680	F	90.1	Very high	86.2	Confident	66 Å²	66	82 Å²	82	29%	0.289	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.4	172	-61.4	-101.2	0	0	0	111.3	L663 C676 P677 S678 C688 K689 K690	L663-F680 HydrophobicContact CD1-CD1 3.66Å; L663-F680 HydrophobicContact CD1-CD2 4.36Å; L663-F680 HydrophobicContact CD1-CE1 3.64Å; L663-F680 HydrophobicContact CD1-CE2 4.34Å; L663-F680 HydrophobicContact CD1-CG 4.05Å; L663-F680 HydrophobicContact CD1-CZ 3.99Å; C676-F680 HydrophobicContact CB-CB 4.2Å; P677-F680 HydrophobicContact CG-CD2 4.01Å; P677-F680 WeakPolarHBondContact O-CB 3.34Å; P677-F680 PolarHBondContact O-N 3.34Å; S678-F680 VanDerWaalsContact C-N 3.34Å; F680-C688 HydrophobicContact CB-CB 4.09Å; F680-C688 HydrophobicContact CD1-CB 4.42Å; F680-K689 CarbonylContact C-O 3.57Å; F680-K689 WeakPolarHBondContact CA-O 3.18Å; F680-K689 WeakPolarHBondContact CB-O 3.26Å; F680-K690 HydrophobicContact CD1-CB 4.14Å; F680-K690 HydrophobicContact CD1-CG 4.47Å; F680-K690 HydrophobicContact CE1-CB 3.96Å; F680-K690 HydrophobicContact CE1-CG 4.1Å; F680-K690 HydrophobicContact CZ-CG 4.34Å
681	F	89.3	Confident	86.5	Confident	20 Å²	20	75.4 Å²	75.4	9%	0.088	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	156.1	173.2	73.1	-78.5	0	0	0	110.6	C688 K689 C698 S701	F681-C688 WeakPolarHBondContact O-CA 3.21Å; F681-K689 HydrophobicContact CD1-CB 4.05Å; F681-K689 WeakPolarHBondContact CD1-O 3.35Å; F681-K689 HydrophobicContact CE1-CB 3.42Å; F681-K689 VanDerWaalsContact CE1-CB 3.42Å; F681-K689 HydrophobicContact CE2-CB 4.28Å; F681-K689 HydrophobicContact CZ-CB 3.56Å; F681-K689 HydrophobicContact CZ-CD 3.93Å; F681-K689 HydrophobicContact CZ-CG 4.4Å; F681-K689 PolarHBondContact N-O 2.83Å; F681-K689 PolarHBondContact O-N 3.27Å; F681-C698 VanDerWaalsContact CB-O 3.28Å; F681-C698 WeakPolarHBondContact CB-O 3.49Å; F681-C698 WeakPolarHBondContact CD1-SG 3.3Å; F681-S701 VanDerWaalsContact CZ-N 3.29Å
682	R	87.9	Confident	86.5	Confident	183 Å²	183	73.8 Å²	73.8	69%	0.691	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.8	176.9	64.8	-172.2	-175.6	-146.8	0.3	110.9	Y661	Y661-R682 HydrophobicContact CD1-CB 4.22Å; Y661-R682 HydrophobicContact CE1-CB 3.73Å
683	D	82.3	Confident	86.4	Confident	30 Å²	30	76.6 Å²	76.6	16%	0.16	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	158	172.9	-170.2	54.1	0	0	0	110.7	R685 K686 R687 K689	D683-R685 PolarHBondContact O-N 2.67Å; D683-K686 PolarHBondContact O-N 3.04Å; D683-R687 HydrophobicContact CB-CB 4.26Å; D683-R687 VanDerWaalsContact CB-O 3.29Å; D683-R687 WeakPolarHBondContact CB-O 3.43Å; D683-R687 PolarHBondContact N-O 3.48Å; D683-K689 HydrophobicContact CB-CD 3.88Å; D683-K689 HydrophobicContact CB-CG 4.09Å; D683-K689 WeakPolarHBondContact OD1-CE 2.99Å; D683-K689 IonicContact OD1-NZ 3.54Å; D683-K689 PolarHBondContact OD1-NZ 3.01Å; D683-K689 WeakPolarHBondContact OD2-CE 3.37Å; D683-K689 IonicContact OD2-NZ 2.81Å; D683-K689 PolarHBondContact OD2-NZ 3.04Å
684	D	76.1	Confident	86.4	Confident	167 Å²	167	78 Å²	78	89%	0.893	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.1	-177.7	-60.3	-32.3	0	0	0	114.1
685	R	79.6	Confident	86.5	Confident	193 Å²	193	74.9 Å²	74.9	73%	0.728	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	29.7	177.4	-61.1	-175.2	179.4	-178.6	0.5	113.6	D683 R687	D683-R685 PolarHBondContact O-N 2.67Å; R685-R687 PolarHBondContact O-N 3.42Å
686	K	82.1	Confident	86.6	Confident	118 Å²	118	71.5 Å²	71.5	51%	0.513	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	33.8	-179.7	-72.3	-178.8	164.8	-159.9	0	113.2	L659 H660 Y661 F662 D683	L659-K686 PolarHBondContact O-NZ 2.92Å; H660-K686 WeakPolarHBondContact O-CB 3.17Å; H660-K686 WeakPolarHBondContact O-CD 3.15Å; H660-K686 WeakPolarHBondContact O-CG 3.24Å; Y661-K686 VanDerWaalsContact CA-O 3.25Å; Y661-K686 WeakPolarHBondContact CA-O 3.36Å; Y661-K686 HydrophobicContact CD1-CB 4.27Å; F662-K686 VanDerWaalsContact CD1-O 3.3Å; F662-K686 WeakPolarHBondContact CD1-O 3.41Å; F662-K686 PolarHBondContact N-O 3.28Å; D683-K686 PolarHBondContact O-N 3.04Å
687	R	87.1	Confident	86.7	Confident	92 Å²	92	73 Å²	73	35%	0.347	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.9	-178.6	-173.8	-175.6	-55.5	-165.1	0.7	110.6	F662 D683 R685 K689	F662-R687 HydrophobicContact CD1-CB 4.43Å; F662-R687 HydrophobicContact CD2-CG 4.39Å; F662-R687 HydrophobicContact CE1-CB 3.87Å; F662-R687 HydrophobicContact CE1-CG 4.2Å; F662-R687 HydrophobicContact CE2-CB 4.45Å; F662-R687 HydrophobicContact CE2-CG 3.86Å; F662-R687 HydrophobicContact CZ-CB 3.91Å; F662-R687 HydrophobicContact CZ-CG 3.78Å; D683-R687 HydrophobicContact CB-CB 4.26Å; D683-R687 VanDerWaalsContact CB-O 3.29Å; D683-R687 WeakPolarHBondContact CB-O 3.43Å; D683-R687 PolarHBondContact N-O 3.48Å; R685-R687 PolarHBondContact O-N 3.42Å; R687-K689 PolarHBondContact O-N 3.27Å
688	C	89.8	Confident	86.8	Confident	8 Å²	8	71 Å²	71	5%	0.054	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	107.8	168.9	-61	0	0	0	0	110	F662 L663 C676 F680 F681	F662-C688 PolarHBondContact O-N 3.35Å; L663-C688 HydrophobicContact CD1-CB 3.74Å; C676-C688 WeakPolarHBondContact CA-SG 3.15Å; C676-C688 HydrophobicContact CB-CB 3.82Å; C676-C688 WeakPolarHBondContact CB-SG 3.47Å; C676-C688 WeakPolarHBondContact SG-CA 3.43Å; C676-C688 WeakPolarHBondContact SG-CB 3.42Å; C676-C688 CovalentContact SG-SG 2.05Å; C676-C688 PolarHBondContact SG-SG 2.91Å; F680-C688 HydrophobicContact CB-CB 4.09Å; F680-C688 HydrophobicContact CD1-CB 4.42Å; F681-C688 WeakPolarHBondContact O-CA 3.21Å
689	K	87.1	Confident	87.1	Confident	77 Å²	77	71 Å²	71	34%	0.335	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.1	175.8	-79.4	-175.6	178.9	163.3	0	110.2	F680 F681 D683 R687	F680-K689 CarbonylContact C-O 3.57Å; F680-K689 WeakPolarHBondContact CA-O 3.18Å; F680-K689 WeakPolarHBondContact CB-O 3.26Å; F681-K689 HydrophobicContact CD1-CB 4.05Å; F681-K689 WeakPolarHBondContact CD1-O 3.35Å; F681-K689 HydrophobicContact CE1-CB 3.42Å; F681-K689 VanDerWaalsContact CE1-CB 3.42Å; F681-K689 HydrophobicContact CE2-CB 4.28Å; F681-K689 HydrophobicContact CZ-CB 3.56Å; F681-K689 HydrophobicContact CZ-CD 3.93Å; F681-K689 HydrophobicContact CZ-CG 4.4Å; F681-K689 PolarHBondContact N-O 2.83Å; F681-K689 PolarHBondContact O-N 3.27Å; D683-K689 HydrophobicContact CB-CD 3.88Å; D683-K689 HydrophobicContact CB-CG 4.09Å; D683-K689 WeakPolarHBondContact OD1-CE 2.99Å; D683-K689 IonicContact OD1-NZ 3.54Å; D683-K689 PolarHBondContact OD1-NZ 3.01Å; D683-K689 WeakPolarHBondContact OD2-CE 3.37Å; D683-K689 IonicContact OD2-NZ 2.81Å; D683-K689 PolarHBondContact OD2-NZ 3.04Å; R687-K689 PolarHBondContact O-N 3.27Å
690	K	90	Very high	87.2	Confident	130 Å²	130	71 Å²	71	57%	0.565	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	135.6	-176.7	-159.2	-177.6	178.5	179.6	0	110.7	F680	F680-K690 HydrophobicContact CD1-CB 4.14Å; F680-K690 HydrophobicContact CD1-CG 4.47Å; F680-K690 HydrophobicContact CE1-CB 3.96Å; F680-K690 HydrophobicContact CE1-CG 4.1Å; F680-K690 HydrophobicContact CZ-CG 4.34Å
691	C	90.4	Very high	87	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.034	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-63.6	162.9	166	-66.2	0	0	0	0	111.2	G679 C695 C698	G679-C691 VanDerWaalsContact C-SG 3.52Å; G679-C691 WeakPolarHBondContact O-CB 3.33Å; G679-C691 PolarHBondContact O-N 3.18Å; C691-C695 HydrophobicContact CB-CB 4.29Å; C691-C698 WeakPolarHBondContact CA-SG 3.43Å; C691-C698 HydrophobicContact CB-CB 3.76Å; C691-C698 WeakPolarHBondContact CB-SG 3.4Å; C691-C698 WeakPolarHBondContact SG-CB 3.45Å; C691-C698 CovalentContact SG-SG 2.02Å; C691-C698 PolarHBondContact SG-SG 2.92Å
692	S	88.3	Confident	86.9	Confident	24 Å²	24	77.6 Å²	77.6	17%	0.168	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-52.6	145.4	164.1	179.5	0	0	0	0	110.4	M694 C695	S692-M694 PolarHBondContact O-N 2.97Å; S692-C695 PolarHBondContact O-N 1.98Å
693	S	88.4	Confident	86.8	Confident	64 Å²	64	72.1 Å²	72.1	45%	0.448	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24	-169.1	48.7	0	0	0	0	114.7	R710	S693-R710 WeakPolarHBondContact O-CD 3.44Å; S693-R710 PolarHBondContact O-NE 3.42Å; S693-R710 PolarHBondContact O-NH1 2.8Å
694	M	88.1	Confident	87	Confident	57 Å²	57	73.5 Å²	73.5	28%	0.281	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.1	-177.4	-49.7	-69.2	82	0	0	113.2	S692 R710 Y713 C722	S692-M694 PolarHBondContact O-N 2.97Å; M694-R710 PolarHBondContact O-N 3.14Å; M694-Y713 HydrophobicContact CB-CD1 4.35Å; M694-Y713 HydrophobicContact CB-CE1 4.44Å; M694-Y713 HydrophobicContact CE-CE1 4.33Å; M694-Y713 HydrophobicContact CG-CE1 4.29Å; M694-Y713 HydrophobicContact SD-CD1 4.05Å; M694-Y713 HydrophobicContact SD-CE1 3.21Å; M694-Y713 WeakPolarHBondContact SD-CE1 3.43Å; M694-Y713 HydrophobicContact SD-CE2 4.33Å; M694-Y713 PolarHBondContact SD-OH 3.48Å; M694-Y713 VanDerWaalsContact SD-OH 3.38Å; M694-C722 HydrophobicContact CB-CB 3.81Å
695	C	89.4	Confident	87.7	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.007	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.9	-171.3	-51.3	0	0	0	0	111	C691 S692 C706 R710 C722	C691-C695 HydrophobicContact CB-CB 4.29Å; S692-C695 PolarHBondContact O-N 1.98Å; C695-C706 HydrophobicContact CB-CB 3.59Å; C695-C706 WeakPolarHBondContact CB-SG 3.21Å; C695-C706 WeakPolarHBondContact SG-CB 3.48Å; C695-C706 CovalentContact SG-SG 1.98Å; C695-C706 PolarHBondContact SG-SG 2.02Å; C695-R710 PolarHBondContact O-NE 2.68Å; C695-R710 VanDerWaalsContact O-NE 3.11Å; C695-C722 VanDerWaalsContact SG-SG 3.62Å
696	E	89.1	Confident	88.2	Confident	83 Å²	83	59.4 Å²	59.4	39%	0.388	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-48.1	177.4	178.3	167.2	-163.7	0	0	110	G679 S708 R710	G679-E696 WeakPolarHBondContact CA-O 3.47Å; G679-E696 PolarHBondContact N-O 3.44Å; E696-S708 PolarHBondContact N-O 2.62Å; E696-R710 HydrophobicContact CB-CG 4.02Å
697	T	89.1	Confident	88.4	Confident	60 Å²	60	59 Å²	59	37%	0.368	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.3	167.4	64.5	0	0	0	0	110.6	M707 S708	T697-M707 PolarHBondContact O-N 3.16Å; T697-M707 WeakPolarHBondContact OG1-CB 3.41Å; T697-S708 WeakPolarHBondContact CB-OG 2.97Å; T697-S708 PolarHBondContact N-O 2.85Å; T697-S708 PolarHBondContact N-OG 3.45Å; T697-S708 PolarHBondContact O-N 3.11Å; T697-S708 PolarHBondContact OG1-N 3.45Å; T697-S708 PolarHBondContact OG1-OG 3.24Å
698	C	90.4	Very high	88.5	Confident	14 Å²	14	56.3 Å²	56.3	10%	0.095	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.6	-177.5	70.3	0	0	0	0	111.1	F681 C691 G700 Q705	F681-C698 VanDerWaalsContact CB-O 3.28Å; F681-C698 WeakPolarHBondContact CB-O 3.49Å; F681-C698 WeakPolarHBondContact CD1-SG 3.3Å; C691-C698 WeakPolarHBondContact CA-SG 3.43Å; C691-C698 HydrophobicContact CB-CB 3.76Å; C691-C698 WeakPolarHBondContact CB-SG 3.4Å; C691-C698 WeakPolarHBondContact SG-CB 3.45Å; C691-C698 CovalentContact SG-SG 2.02Å; C691-C698 PolarHBondContact SG-SG 2.92Å; C698-G700 WeakPolarHBondContact CB-O 3Å; C698-G700 PolarHBondContact SG-O 3.04Å; C698-Q705 CarbonylContact C-O 3.6Å; C698-Q705 VanDerWaalsContact CA-O 3.26Å; C698-Q705 WeakPolarHBondContact CA-O 3.35Å; C698-Q705 VanDerWaalsContact CB-O 3.28Å; C698-Q705 WeakPolarHBondContact CB-O 3.28Å
699	V	89.2	Confident	88.4	Confident	95 Å²	95	56.5 Å²	56.5	58%	0.576	30%	0.302	S	S	*	.	S	Bend	trans	-95.1	-7.6	170.6	-64.1	0	0	0	0	112.2	Q705 M707	V699-Q705 HydrophobicContact CG2-CB 3.94Å; V699-Q705 PolarHBondContact N-O 2.88Å; V699-M707 HydrophobicContact CG1-CG 3.72Å; V699-M707 HydrophobicContact CG1-SD 3.86Å
700	G	87.5	Confident	88.5	Confident	4 Å²	4	57.4 Å²	57.4	4%	0.041	30%	0.303	C	S	.	.	S	Bend	trans	-165.3	174.2	-179.6	0	0	0	0	0	113.4	C698 R702 Q705	C698-G700 WeakPolarHBondContact CB-O 3Å; C698-G700 PolarHBondContact SG-O 3.04Å; G700-R702 VanDerWaalsContact C-N 3.31Å; G700-R702 PolarHBondContact O-N 3.38Å; G700-Q705 VanDerWaalsContact CA-OE1 3.29Å
701	S	85.6	Confident	88.2	Confident	73 Å²	73	57.9 Å²	57.9	51%	0.51	32%	0.318	S	S	.	.	S	Bend	trans	-78.9	-14.1	-173.6	52.9	0	0	0	0	113.9	F681	F681-S701 VanDerWaalsContact CZ-N 3.29Å
702	R	86.9	Confident	87.8	Confident	151 Å²	151	60.1 Å²	60.1	57%	0.57	34%	0.342	S	S	*	.	S	Bend	trans	-79.1	156	-178	-61.4	169.4	48.5	125.5	-3.9	110.8	G700 D704 Q705	G700-R702 VanDerWaalsContact C-N 3.31Å; G700-R702 PolarHBondContact O-N 3.38Å; R702-D704 WeakPolarHBondContact CB-OD1 3.45Å; R702-D704 IonicContact CZ-OD1 3.54Å; R702-D704 IonicContact CZ-OD2 3.63Å; R702-D704 IonicContact NE-OD1 2.8Å; R702-D704 PolarHBondContact NE-OD1 3.11Å; R702-D704 IonicContact NE-OD2 3.05Å; R702-D704 PolarHBondContact NE-OD2 3.45Å; R702-D704 IonicContact NH2-OD1 3.41Å; R702-D704 IonicContact NH2-OD2 3.92Å; R702-D704 PolarHBondContact NH2-OD2 3.45Å; R702-D704 PolarHBondContact O-N 3.29Å; R702-Q705 HydrophobicContact CB-CG 4.1Å; R702-Q705 PolarHBondContact O-N 3.29Å
703	S	85.6	Confident	87.8	Confident	69 Å²	69	61.9 Å²	61.9	48%	0.483	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.2	-179.4	52.3	0	0	0	0	114.1	C706 T721	S703-C706 PolarHBondContact O-SG 2.92Å; S703-T721 WeakPolarHBondContact O-CA 3.43Å; S703-T721 WeakPolarHBondContact O-CG2 3.36Å
704	D	87.3	Confident	87.8	Confident	58 Å²	58	60.4 Å²	60.4	31%	0.31	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	13.4	178.8	61.1	-20.8	0	0	0	113.4	R702 N720 T721	R702-D704 WeakPolarHBondContact CB-OD1 3.45Å; R702-D704 IonicContact CZ-OD1 3.54Å; R702-D704 IonicContact CZ-OD2 3.63Å; R702-D704 IonicContact NE-OD1 2.8Å; R702-D704 PolarHBondContact NE-OD1 3.11Å; R702-D704 IonicContact NE-OD2 3.05Å; R702-D704 PolarHBondContact NE-OD2 3.45Å; R702-D704 IonicContact NH2-OD1 3.41Å; R702-D704 IonicContact NH2-OD2 3.92Å; R702-D704 PolarHBondContact NH2-OD2 3.45Å; R702-D704 PolarHBondContact O-N 3.29Å; D704-N720 CarbonylContact C-O 3.56Å; D704-N720 WeakPolarHBondContact O-CB 3.44Å; D704-T721 HydrophobicContact CB-CG2 3.93Å
705	Q	90.3	Very high	87.9	Confident	64 Å²	64	59 Å²	59	30%	0.299	32%	0.324	S	S	.	.			trans	-118.9	29.3	-177.5	-66.2	-176.4	-57.2	0	0	111.8	C698 V699 G700 R702	C698-Q705 CarbonylContact C-O 3.6Å; C698-Q705 VanDerWaalsContact CA-O 3.26Å; C698-Q705 WeakPolarHBondContact CA-O 3.35Å; C698-Q705 VanDerWaalsContact CB-O 3.28Å; C698-Q705 WeakPolarHBondContact CB-O 3.28Å; V699-Q705 HydrophobicContact CG2-CB 3.94Å; V699-Q705 PolarHBondContact N-O 2.88Å; G700-Q705 VanDerWaalsContact CA-OE1 3.29Å; R702-Q705 HydrophobicContact CB-CG 4.1Å; R702-Q705 PolarHBondContact O-N 3.29Å
706	C	89.9	Confident	87.8	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.2	-174.8	-56.5	0	0	0	0	111.2	C695 S703 L715 N720	C695-C706 HydrophobicContact CB-CB 3.59Å; C695-C706 WeakPolarHBondContact CB-SG 3.21Å; C695-C706 WeakPolarHBondContact SG-CB 3.48Å; C695-C706 CovalentContact SG-SG 1.98Å; C695-C706 PolarHBondContact SG-SG 2.02Å; S703-C706 PolarHBondContact O-SG 2.92Å; C706-L715 HydrophobicContact CB-CD1 4.41Å; C706-N720 VanDerWaalsContact CB-O 3.29Å; C706-N720 WeakPolarHBondContact CB-O 2.98Å; C706-N720 PolarHBondContact N-O 3.21Å; C706-N720 WeakPolarHBondContact O-CB 3.26Å
707	M	87.5	Confident	87.5	Confident	111 Å²	111	59.7 Å²	59.7	55%	0.547	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-30.9	179.5	-66.5	-62	-58.6	0	0	111	T697 V699	T697-M707 PolarHBondContact O-N 3.16Å; T697-M707 WeakPolarHBondContact OG1-CB 3.41Å; V699-M707 HydrophobicContact CG1-CG 3.72Å; V699-M707 HydrophobicContact CG1-SD 3.86Å
708	S	88	Confident	87.1	Confident	35 Å²	35	60.2 Å²	60.2	25%	0.245	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.8	172.1	64.4	0	0	0	0	110.3	E696 T697	E696-S708 PolarHBondContact N-O 2.62Å; T697-S708 WeakPolarHBondContact CB-OG 2.97Å; T697-S708 PolarHBondContact N-O 2.85Å; T697-S708 PolarHBondContact N-OG 3.45Å; T697-S708 PolarHBondContact O-N 3.11Å; T697-S708 PolarHBondContact OG1-N 3.45Å; T697-S708 PolarHBondContact OG1-OG 3.24Å
709	C	89.4	Confident	86.7	Confident	12 Å²	12	61.7 Å²	61.7	8%	0.081	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.9	-175.9	-59.8	0	0	0	0	110.6	Y713 L715 C722	C709-Y713 WeakPolarHBondContact CB-O 2.96Å; C709-L715 WeakPolarHBondContact SG-CA 3.04Å; C709-L715 PolarHBondContact SG-N 3.14Å; C709-L715 VanDerWaalsContact SG-N 3.45Å; C709-C722 WeakPolarHBondContact CA-SG 2.9Å; C709-C722 HydrophobicContact CB-CB 3.69Å; C709-C722 WeakPolarHBondContact CB-SG 3.45Å; C709-C722 WeakPolarHBondContact SG-CA 3.35Å; C709-C722 WeakPolarHBondContact SG-CB 3.48Å; C709-C722 CovalentContact SG-SG 2.02Å; C709-C722 PolarHBondContact SG-SG 3.4Å
710	R	88.2	Confident	86.6	Confident	95 Å²	95	60.7 Å²	60.7	36%	0.358	35%	0.347	S	S	.	.			trans	-62.1	156.1	176.6	-67.4	-179.4	179.2	-175.5	-5.5	110.7	S693 M694 C695 E696 G712 Y713	S693-R710 WeakPolarHBondContact O-CD 3.44Å; S693-R710 PolarHBondContact O-NE 3.42Å; S693-R710 PolarHBondContact O-NH1 2.8Å; M694-R710 PolarHBondContact O-N 3.14Å; C695-R710 PolarHBondContact O-NE 2.68Å; C695-R710 VanDerWaalsContact O-NE 3.11Å; E696-R710 HydrophobicContact CB-CG 4.02Å; R710-G712 PolarHBondContact O-N 2.02Å; R710-Y713 HydrophobicContact CB-CD2 4.18Å; R710-Y713 WeakPolarHBondContact O-CB 3.43Å; R710-Y713 PolarHBondContact O-N 3.45Å
711	T	83.7	Confident	86.6	Confident	141 Å²	141	62 Å²	62	87%	0.865	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	127.9	175.6	-42.6	0	0	0	0	111.4
712	G	81.9	Confident	86.8	Confident	52 Å²	52	59.4 Å²	59.4	54%	0.536	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	1.2	-175	0	0	0	0	0	115.5	R710	R710-G712 PolarHBondContact O-N 2.02Å
713	Y	88.8	Confident	86.8	Confident	61 Å²	61	53.4 Å²	53.4	24%	0.239	32%	0.319	C	S	.	.			trans	-121.9	151.6	173.5	-62.3	-95	0	0	0	111	M694 C709 R710 A723 V724 N737	M694-Y713 HydrophobicContact CB-CD1 4.35Å; M694-Y713 HydrophobicContact CB-CE1 4.44Å; M694-Y713 HydrophobicContact CE-CE1 4.33Å; M694-Y713 HydrophobicContact CG-CE1 4.29Å; M694-Y713 HydrophobicContact SD-CD1 4.05Å; M694-Y713 HydrophobicContact SD-CE1 3.21Å; M694-Y713 WeakPolarHBondContact SD-CE1 3.43Å; M694-Y713 HydrophobicContact SD-CE2 4.33Å; M694-Y713 PolarHBondContact SD-OH 3.48Å; M694-Y713 VanDerWaalsContact SD-OH 3.38Å; C709-Y713 WeakPolarHBondContact CB-O 2.96Å; R710-Y713 HydrophobicContact CB-CD2 4.18Å; R710-Y713 WeakPolarHBondContact O-CB 3.43Å; R710-Y713 PolarHBondContact O-N 3.45Å; Y713-A723 CarbonylContact C-O 3.52Å; Y713-A723 WeakPolarHBondContact CA-O 2.99Å; Y713-V724 HydrophobicContact CD1-CG2 3.76Å; Y713-V724 HydrophobicContact CE1-CG2 3.34Å; Y713-N737 PolarHBondContact O-ND2 3.42Å
714	H	88.6	Confident	86.9	Confident	33 Å²	33	54.8 Å²	54.8	15%	0.153	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.8	-177	-52.7	-69.1	0	0	0	110.4	C722 A723 V724 L732 N737	H714-C722 WeakPolarHBondContact O-CA 3.49Å; H714-A723 PolarHBondContact N-O 2.99Å; H714-A723 PolarHBondContact O-N 3.43Å; H714-V724 PolarHBondContact CD2-O 2.98Å; H714-L732 HydrophobicContact CB-CD1 4.07Å; H714-L732 VanDerWaalsContact ND1-CD1 3.35Å; H714-L732 WeakPolarHBondContact ND1-CD1 3.29Å; H714-N737 PolarHBondContact CE1-OD1 2.89Å; H714-N737 PolarHBondContact ND1-OD1 3.28Å
715	L	88.9	Confident	86.8	Confident	27 Å²	27	56 Å²	56	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.5	179.7	-173.1	68.8	0	0	0	109.8	C706 C709 N737 I738 C739	C706-L715 HydrophobicContact CB-CD1 4.41Å; C709-L715 WeakPolarHBondContact SG-CA 3.04Å; C709-L715 PolarHBondContact SG-N 3.14Å; C709-L715 VanDerWaalsContact SG-N 3.45Å; L715-N737 PolarHBondContact N-O 2.9Å; L715-I738 HydrophobicContact CB-CG1 4.36Å; L715-I738 CarbonylContact O-C 3.49Å; L715-I738 WeakPolarHBondContact O-CA 3.38Å; L715-I738 WeakPolarHBondContact O-CG2 3.43Å; L715-C739 PolarHBondContact O-N 2.83Å
716	I	88.3	Confident	86.5	Confident	22 Å²	22	54.4 Å²	54.4	11%	0.113	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.3	178.6	-59	172.3	0	0	0	110.5	G718 S719 N720 T721 A723 F730 C739	I716-G718 PolarHBondContact O-N 2.99Å; I716-S719 WeakPolarHBondContact CB-OG 3.37Å; I716-S719 WeakPolarHBondContact CG2-OG 3.34Å; I716-S719 PolarHBondContact O-N 2.75Å; I716-N720 PolarHBondContact O-N 3.47Å; I716-T721 PolarHBondContact N-O 2.91Å; I716-A723 HydrophobicContact CD1-CB 3.73Å; I716-A723 HydrophobicContact CG1-CB 4.31Å; I716-F730 HydrophobicContact CG2-CD1 4.13Å; I716-F730 HydrophobicContact CG2-CE1 3.87Å; I716-F730 HydrophobicContact CG2-CZ 4.1Å; I716-C739 HydrophobicContact CG1-CB 4.11Å
717	E	82.8	Confident	86.2	Confident	76 Å²	76	57.2 Å²	57.2	36%	0.355	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	118.8	179.9	-171.8	178.6	-134.8	0	0	111.3	I738 C739 R740 R741	E717-I738 HydrophobicContact CB-CG2 3.98Å; E717-C739 WeakPolarHBondContact CB-O 3.49Å; E717-C739 PolarHBondContact N-O 3.27Å; E717-R740 IonicContact OE1-NH1 3.38Å; E717-R740 PolarHBondContact OE1-NH1 2.8Å; E717-R740 VanDerWaalsContact OE2-CA 3.31Å; E717-R740 WeakPolarHBondContact OE2-CA 3.41Å; E717-R741 PolarHBondContact OE2-N 3.28Å
718	G	80.5	Confident	86	Confident	71 Å²	71	55.4 Å²	55.4	73%	0.732	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-20.4	176	0	0	0	0	0	115.8	I716	I716-G718 PolarHBondContact O-N 2.99Å
719	S	82.3	Confident	85.7	Confident	46 Å²	46	54.5 Å²	54.5	32%	0.322	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-14.1	172.8	62.3	0	0	0	0	113.7	I716 T721	I716-S719 WeakPolarHBondContact CB-OG 3.37Å; I716-S719 WeakPolarHBondContact CG2-OG 3.34Å; I716-S719 PolarHBondContact O-N 2.75Å; S719-T721 PolarHBondContact O-N 3.34Å; S719-T721 VanDerWaalsContact O-N 3.14Å; S719-T721 PolarHBondContact OG-OG1 3.26Å
720	N	85.9	Confident	85.7	Confident	74 Å²	74	55.9 Å²	55.9	40%	0.396	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	33.9	-177.8	-64.4	-17.9	0	0	0	112.7	D704 C706 I716	D704-N720 CarbonylContact C-O 3.56Å; D704-N720 WeakPolarHBondContact O-CB 3.44Å; C706-N720 VanDerWaalsContact CB-O 3.29Å; C706-N720 WeakPolarHBondContact CB-O 2.98Å; C706-N720 PolarHBondContact N-O 3.21Å; C706-N720 WeakPolarHBondContact O-CB 3.26Å; I716-N720 PolarHBondContact O-N 3.47Å
721	T	89.4	Confident	85.7	Confident	32 Å²	32	53 Å²	53	20%	0.196	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146	177.6	53.6	0	0	0	0	110.6	S703 D704 I716 S719	S703-T721 WeakPolarHBondContact O-CA 3.43Å; S703-T721 WeakPolarHBondContact O-CG2 3.36Å; D704-T721 HydrophobicContact CB-CG2 3.93Å; I716-T721 PolarHBondContact N-O 2.91Å; S719-T721 PolarHBondContact O-N 3.34Å; S719-T721 VanDerWaalsContact O-N 3.14Å; S719-T721 PolarHBondContact OG-OG1 3.26Å
722	C	89.8	Confident	85.8	Confident	18 Å²	18	49.4 Å²	49.4	12%	0.122	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	133.2	176.5	-62.4	0	0	0	0	111.8	M694 C695 C709 H714	M694-C722 HydrophobicContact CB-CB 3.81Å; C695-C722 VanDerWaalsContact SG-SG 3.62Å; C709-C722 WeakPolarHBondContact CA-SG 2.9Å; C709-C722 HydrophobicContact CB-CB 3.69Å; C709-C722 WeakPolarHBondContact CB-SG 3.45Å; C709-C722 WeakPolarHBondContact SG-CA 3.35Å; C709-C722 WeakPolarHBondContact SG-CB 3.48Å; C709-C722 CovalentContact SG-SG 2.02Å; C709-C722 PolarHBondContact SG-SG 3.4Å; H714-C722 WeakPolarHBondContact O-CA 3.49Å
723	A	86.1	Confident	85.9	Confident	25 Å²	25	48.3 Å²	48.3	21%	0.207	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.8	177.3	0	0	0	0	0	111.8	Y713 H714 I716 S725	Y713-A723 CarbonylContact C-O 3.52Å; Y713-A723 WeakPolarHBondContact CA-O 2.99Å; H714-A723 PolarHBondContact N-O 2.99Å; H714-A723 PolarHBondContact O-N 3.43Å; I716-A723 HydrophobicContact CD1-CB 3.73Å; I716-A723 HydrophobicContact CG1-CB 4.31Å; A723-S725 PolarHBondContact O-N 3.32Å
724	V	86.9	Confident	85.3	Confident	97 Å²	97	50.2 Å²	50.2	59%	0.588	32%	0.318	S	S	*	.	S	Bend	trans	-68	-27.8	178.6	-177.2	0	0	0	0	111.3	Y713 H714	Y713-V724 HydrophobicContact CD1-CG2 3.76Å; Y713-V724 HydrophobicContact CE1-CG2 3.34Å; H714-V724 PolarHBondContact CD2-O 2.98Å
725	S	85.1	Confident	84.6	Confident	84 Å²	84	56.3 Å²	56.3	59%	0.587	35%	0.352	S	S	*	.	S	Bend	trans	-147.9	154.2	178	60.1	0	0	0	0	110.3	A723 A727	A723-S725 PolarHBondContact O-N 3.32Å; S725-A727 PolarHBondContact O-N 2.8Å
726	C	85	Confident	84	Confident	30 Å²	30	57 Å²	57	20%	0.203	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-70.3	127.8	173.8	-51.5	0	0	0	0	110.1	F730 L732 C739	C726-F730 HydrophobicContact CB-CB 4.01Å; C726-L732 VanDerWaalsContact SG-CA 3.55Å; C726-L732 PolarHBondContact SG-N 3.45Å; C726-L732 VanDerWaalsContact SG-N 3.45Å; C726-C739 WeakPolarHBondContact CA-SG 3.22Å; C726-C739 HydrophobicContact CB-CB 3.73Å; C726-C739 WeakPolarHBondContact CB-SG 3.32Å; C726-C739 WeakPolarHBondContact SG-CA 3.42Å; C726-C739 WeakPolarHBondContact SG-CB 3.32Å; C726-C739 CovalentContact SG-SG 2.03Å; C726-C739 PolarHBondContact SG-SG 2.97Å
727	A	83.2	Confident	83.7	Confident	60 Å²	60	59.6 Å²	59.6	50%	0.496	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-73.6	165.8	177.8	0	0	0	0	0	111.9	S725 G729 F730	S725-A727 PolarHBondContact O-N 2.8Å; A727-G729 PolarHBondContact O-N 2.75Å; A727-F730 PolarHBondContact O-N 3.4Å
728	D	83.6	Confident	83.8	Confident	73 Å²	73	58.3 Å²	58.3	39%	0.39	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	129.6	173	-77.1	6.4	0	0	0	110.5	R747 R748	D728-R747 CarbonylContact C-O 2.85Å; D728-R747 HydrophobicContact CB-CG 4.44Å; D728-R747 IonicContact OD2-CZ 3.49Å; D728-R747 IonicContact OD2-NE 3.66Å; D728-R747 PolarHBondContact OD2-NE 2.97Å; D728-R747 IonicContact OD2-NH2 2.87Å; D728-R747 PolarHBondContact OD2-NH2 2.03Å; D728-R748 IonicContact OD1-CZ 3.87Å; D728-R748 IonicContact OD1-NE 3.79Å; D728-R748 PolarHBondContact OD1-NE 3.13Å; D728-R748 IonicContact OD1-NH2 2.69Å; D728-R748 PolarHBondContact OD1-NH2 3.43Å; D728-R748 IonicContact OD2-NE 2.7Å
729	G	82	Confident	84.3	Confident	15 Å²	15	54.9 Å²	54.9	16%	0.155	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	0.6	-174.7	0	0	0	0	0	115	A727 C742 R747	A727-G729 PolarHBondContact O-N 2.75Å; G729-C742 WeakPolarHBondContact O-CB 3.5Å; G729-C742 PolarHBondContact O-N 3.05Å; G729-R747 PolarHBondContact N-O 3.2Å
730	F	88.3	Confident	84.6	Confident	42 Å²	42	56.7 Å²	56.7	18%	0.184	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	151	173.9	-62.6	-100.1	0	0	0	111.6	I716 C726 A727 C739 R740 R741	I716-F730 HydrophobicContact CG2-CD1 4.13Å; I716-F730 HydrophobicContact CG2-CE1 3.87Å; I716-F730 HydrophobicContact CG2-CZ 4.1Å; C726-F730 HydrophobicContact CB-CB 4.01Å; A727-F730 PolarHBondContact O-N 3.4Å; F730-C739 HydrophobicContact CB-CB 4.2Å; F730-R740 CarbonylContact C-O 3.6Å; F730-R740 WeakPolarHBondContact CA-O 3.11Å; F730-R740 WeakPolarHBondContact CB-O 3.32Å; F730-R741 HydrophobicContact CD1-CB 4.14Å; F730-R741 HydrophobicContact CE1-CB 3.97Å; F730-R741 HydrophobicContact CE1-CG 4.32Å
731	Y	88	Confident	84.6	Confident	35 Å²	35	60.5 Å²	60.5	14%	0.137	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.9	172.5	72.7	-78.3	0	0	0	110.4	D733 C739 R740 C749 S750 S752	Y731-D733 HydrophobicContact CE2-CB 4.46Å; Y731-D733 PolarHBondContact O-N 3.33Å; Y731-C739 CarbonylContact O-C 3.6Å; Y731-C739 WeakPolarHBondContact O-CA 3.31Å; Y731-R740 HydrophobicContact CD1-CB 4.26Å; Y731-R740 VanDerWaalsContact CD1-O 3.32Å; Y731-R740 WeakPolarHBondContact CD1-O 3.3Å; Y731-R740 HydrophobicContact CE1-CB 3.65Å; Y731-R740 PolarHBondContact N-O 2.81Å; Y731-R740 PolarHBondContact O-N 3.28Å; Y731-C749 WeakPolarHBondContact CB-O 3.4Å; Y731-C749 WeakPolarHBondContact CD1-SG 3.44Å; Y731-S750 WeakPolarHBondContact CD2-O 3.45Å; Y731-S752 VanDerWaalsContact CZ-N 3.3Å; Y731-S752 WeakPolarHBondContact OH-CB 3.07Å
732	L	87.5	Confident	84.4	Confident	65 Å²	65	59.5 Å²	59.5	34%	0.34	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.5	178	-179.4	60.6	0	0	0	110	H714 C726 S734	H714-L732 HydrophobicContact CB-CD1 4.07Å; H714-L732 VanDerWaalsContact ND1-CD1 3.35Å; H714-L732 WeakPolarHBondContact ND1-CD1 3.29Å; C726-L732 VanDerWaalsContact SG-CA 3.55Å; C726-L732 PolarHBondContact SG-N 3.45Å; C726-L732 VanDerWaalsContact SG-N 3.45Å; L732-S734 PolarHBondContact O-N 2.68Å
733	D	83.8	Confident	84	Confident	29 Å²	29	62.2 Å²	62.2	16%	0.155	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	106.5	165.9	-180	8	0	0	0	108.7	Y731 D735 S736 N737 I738 R740	Y731-D733 HydrophobicContact CE2-CB 4.46Å; Y731-D733 PolarHBondContact O-N 3.33Å; D733-D735 PolarHBondContact O-N 3.38Å; D733-D735 PolarHBondContact OD1-N 3.06Å; D733-S736 PolarHBondContact O-N 3.45Å; D733-S736 PolarHBondContact OD2-OG 2.85Å; D733-N737 WeakPolarHBondContact O-CA 3.32Å; D733-N737 PolarHBondContact O-N 2.94Å; D733-I738 WeakPolarHBondContact CB-O 3.35Å; D733-I738 PolarHBondContact N-O 3.27Å; D733-R740 HydrophobicContact CB-CG 4.11Å; D733-R740 IonicContact OD2-CZ 3.39Å; D733-R740 IonicContact OD2-NE 2.68Å; D733-R740 PolarHBondContact OD2-NE 3.41Å; D733-R740 IonicContact OD2-NH2 3.48Å; D733-R740 PolarHBondContact OD2-NH2 2.76Å
734	S	74.5	Confident	83.6	Confident	101 Å²	101	69.3 Å²	69.3	71%	0.706	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.9	-172.8	-61.4	0	0	0	0	112.9	L732	L732-S734 PolarHBondContact O-N 2.68Å
735	D	75.2	Confident	83.2	Confident	161 Å²	161	68 Å²	68	86%	0.861	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-29.4	-178	-65.4	-29.9	0	0	0	112.3	D733	D733-D735 PolarHBondContact O-N 3.38Å; D733-D735 PolarHBondContact OD1-N 3.06Å
736	S	76.1	Confident	83	Confident	42 Å²	42	64.2 Å²	64.2	29%	0.294	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-4.4	-177.1	64.7	0	0	0	0	114.3	D733 I738	D733-S736 PolarHBondContact O-N 3.45Å; D733-S736 PolarHBondContact OD2-OG 2.85Å; S736-I738 WeakPolarHBondContact O-CG1 3Å; S736-I738 PolarHBondContact O-N 3.27Å
737	N	81.9	Confident	83	Confident	75 Å²	75	67.5 Å²	67.5	40%	0.401	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	29.7	-176.5	-158.8	41.8	0	0	0	113.7	Y713 H714 L715 D733	Y713-N737 PolarHBondContact O-ND2 3.42Å; H714-N737 PolarHBondContact CE1-OD1 2.89Å; H714-N737 PolarHBondContact ND1-OD1 3.28Å; L715-N737 PolarHBondContact N-O 2.9Å; D733-N737 WeakPolarHBondContact O-CA 3.32Å; D733-N737 PolarHBondContact O-N 2.94Å
738	I	85.5	Confident	83.2	Confident	49 Å²	49	70.2 Å²	70.2	25%	0.251	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.6	-176.7	-68.5	165.5	0	0	0	109.5	L715 E717 D733 S736 R740	L715-I738 HydrophobicContact CB-CG1 4.36Å; L715-I738 CarbonylContact O-C 3.49Å; L715-I738 WeakPolarHBondContact O-CA 3.38Å; L715-I738 WeakPolarHBondContact O-CG2 3.43Å; E717-I738 HydrophobicContact CB-CG2 3.98Å; D733-I738 WeakPolarHBondContact CB-O 3.35Å; D733-I738 PolarHBondContact N-O 3.27Å; S736-I738 WeakPolarHBondContact O-CG1 3Å; S736-I738 PolarHBondContact O-N 3.27Å; I738-R740 HydrophobicContact CG2-CG 4.17Å; I738-R740 PolarHBondContact O-N 2.76Å
739	C	90	Very high	83.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	104.7	168.9	-67.7	0	0	0	0	109.4	L715 I716 E717 C726 F730 Y731	L715-C739 PolarHBondContact O-N 2.83Å; I716-C739 HydrophobicContact CG1-CB 4.11Å; E717-C739 WeakPolarHBondContact CB-O 3.49Å; E717-C739 PolarHBondContact N-O 3.27Å; C726-C739 WeakPolarHBondContact CA-SG 3.22Å; C726-C739 HydrophobicContact CB-CB 3.73Å; C726-C739 WeakPolarHBondContact CB-SG 3.32Å; C726-C739 WeakPolarHBondContact SG-CA 3.42Å; C726-C739 WeakPolarHBondContact SG-CB 3.32Å; C726-C739 CovalentContact SG-SG 2.03Å; C726-C739 PolarHBondContact SG-SG 2.97Å; F730-C739 HydrophobicContact CB-CB 4.2Å; Y731-C739 CarbonylContact O-C 3.6Å; Y731-C739 WeakPolarHBondContact O-CA 3.31Å
740	R	88.4	Confident	83.5	Confident	83 Å²	83	70.3 Å²	70.3	31%	0.313	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	151	179.2	-67.3	-172.3	-172.2	-102.6	9.6	111.7	E717 F730 Y731 D733 I738	E717-R740 IonicContact OE1-NH1 3.38Å; E717-R740 PolarHBondContact OE1-NH1 2.8Å; E717-R740 VanDerWaalsContact OE2-CA 3.31Å; E717-R740 WeakPolarHBondContact OE2-CA 3.41Å; F730-R740 CarbonylContact C-O 3.6Å; F730-R740 WeakPolarHBondContact CA-O 3.11Å; F730-R740 WeakPolarHBondContact CB-O 3.32Å; Y731-R740 HydrophobicContact CD1-CB 4.26Å; Y731-R740 VanDerWaalsContact CD1-O 3.32Å; Y731-R740 WeakPolarHBondContact CD1-O 3.3Å; Y731-R740 HydrophobicContact CE1-CB 3.65Å; Y731-R740 PolarHBondContact N-O 2.81Å; Y731-R740 PolarHBondContact O-N 3.28Å; D733-R740 HydrophobicContact CB-CG 4.11Å; D733-R740 IonicContact OD2-CZ 3.39Å; D733-R740 IonicContact OD2-NE 2.68Å; D733-R740 PolarHBondContact OD2-NE 3.41Å; D733-R740 IonicContact OD2-NH2 3.48Å; D733-R740 PolarHBondContact OD2-NH2 2.76Å; I738-R740 HydrophobicContact CG2-CG 4.17Å; I738-R740 PolarHBondContact O-N 2.76Å
741	R	86.5	Confident	83.2	Confident	154 Å²	154	70 Å²	70	58%	0.581	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	138.9	-177.5	-164.9	-177	-108.1	97.5	-0.8	111.7	E717 F730	E717-R741 PolarHBondContact OE2-N 3.28Å; F730-R741 HydrophobicContact CD1-CB 4.14Å; F730-R741 HydrophobicContact CE1-CB 3.97Å; F730-R741 HydrophobicContact CE1-CG 4.32Å
742	C	85.9	Confident	82.8	Confident	11 Å²	11	70.7 Å²	70.7	7%	0.074	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-64.2	157.2	168.6	-65.6	0	0	0	0	112.1	G729 C746 C749	G729-C742 WeakPolarHBondContact O-CB 3.5Å; G729-C742 PolarHBondContact O-N 3.05Å; C742-C746 HydrophobicContact CB-CB 4.16Å; C742-C749 WeakPolarHBondContact CA-SG 3.38Å; C742-C749 HydrophobicContact CB-CB 3.78Å; C742-C749 WeakPolarHBondContact CB-SG 3.44Å; C742-C749 WeakPolarHBondContact SG-CB 3.06Å; C742-C749 PolarHBondContact SG-N 3.39Å; C742-C749 VanDerWaalsContact SG-N 3.4Å; C742-C749 CovalentContact SG-SG 2.02Å; C742-C749 PolarHBondContact SG-SG 2.93Å
743	Q	81.6	Confident	82.3	Confident	76 Å²	76	72.3 Å²	72.3	36%	0.355	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-57.6	156.1	170.2	-110	176.8	0.1	0	0	112.8	C746 S752 N753	Q743-C746 WeakPolarHBondContact O-CB 3.48Å; Q743-C746 PolarHBondContact O-N 3.48Å; Q743-S752 VanDerWaalsContact CB-O 3.22Å; Q743-S752 WeakPolarHBondContact CB-O 3.38Å; Q743-S752 WeakPolarHBondContact CG-O 3.14Å; Q743-N753 VanDerWaalsContact CD-OD1 3.32Å; Q743-N753 PolarHBondContact NE2-OD1 3Å
744	E	77.1	Confident	82.3	Confident	174 Å²	174	72.9 Å²	72.9	81%	0.813	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	143.9	-179.3	-68.9	-171.7	164.8	0	0	112.2	C746	E744-C746 PolarHBondContact O-N 2.98Å
745	N	77.2	Confident	82.8	Confident	68 Å²	68	68.3 Å²	68.3	36%	0.364	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-3.2	179.8	-51.8	-45.4	0	0	0	116.5	K759 M762 C769	N745-K759 PolarHBondContact O-N 3.22Å; N745-M762 HydrophobicContact CB-CE 3.98Å; N745-M762 HydrophobicContact CB-SD 3.53Å; N745-M762 VanDerWaalsContact CB-SD 3.53Å; N745-C769 HydrophobicContact CB-CB 4.3Å
746	C	82.5	Confident	83.2	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.034	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.2	171.1	-169.1	0	0	0	0	111.5	C742 Q743 E744 R748 C755 K759	C742-C746 HydrophobicContact CB-CB 4.16Å; Q743-C746 WeakPolarHBondContact O-CB 3.48Å; Q743-C746 PolarHBondContact O-N 3.48Å; E744-C746 PolarHBondContact O-N 2.98Å; C746-R748 PolarHBondContact SG-O 3.4Å; C746-C755 WeakPolarHBondContact CA-SG 2.93Å; C746-C755 HydrophobicContact CB-CB 3.83Å; C746-C755 WeakPolarHBondContact CB-SG 3.23Å; C746-C755 WeakPolarHBondContact SG-CA 3.22Å; C746-C755 WeakPolarHBondContact SG-CB 3.46Å; C746-C755 CovalentContact SG-SG 2.02Å; C746-C755 PolarHBondContact SG-SG 2.9Å; C746-K759 WeakPolarHBondContact O-CE 3.22Å
747	R	85.1	Confident	83.6	Confident	99 Å²	99	65.1 Å²	65.1	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-40.2	174.1	-175.7	-175.2	173.6	-176.6	8.2	111.6	D728 G729 E757 K759	D728-R747 CarbonylContact C-O 2.85Å; D728-R747 HydrophobicContact CB-CG 4.44Å; D728-R747 IonicContact OD2-CZ 3.49Å; D728-R747 IonicContact OD2-NE 3.66Å; D728-R747 PolarHBondContact OD2-NE 2.97Å; D728-R747 IonicContact OD2-NH2 2.87Å; D728-R747 PolarHBondContact OD2-NH2 2.03Å; G729-R747 PolarHBondContact N-O 3.2Å; R747-E757 WeakPolarHBondContact CA-O 2.95Å; R747-E757 WeakPolarHBondContact CB-O 3.3Å; R747-E757 WeakPolarHBondContact CD-OE1 3.43Å; R747-E757 IonicContact CZ-OE1 3.44Å; R747-E757 PolarHBondContact N-O 2.99Å; R747-E757 IonicContact NE-OE1 3.88Å; R747-E757 IonicContact NH1-OE1 3.53Å; R747-E757 PolarHBondContact NH1-OE1 3.17Å; R747-K759 HydrophobicContact CB-CG 4.09Å
748	R	86.4	Confident	83.6	Confident	117 Å²	117	62.3 Å²	62.3	44%	0.442	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135.9	172.6	-66.2	-172.9	178.4	147	-12.9	110.8	D728 C746 C755 T756 E757	D728-R748 IonicContact OD1-CZ 3.87Å; D728-R748 IonicContact OD1-NE 3.79Å; D728-R748 PolarHBondContact OD1-NE 3.13Å; D728-R748 IonicContact OD1-NH2 2.69Å; D728-R748 PolarHBondContact OD1-NH2 3.43Å; D728-R748 IonicContact OD2-NE 2.7Å; C746-R748 PolarHBondContact SG-O 3.4Å; R748-C755 PolarHBondContact O-SG 2.8Å; R748-T756 PolarHBondContact O-N 3.01Å; R748-T756 PolarHBondContact O-OG1 2.01Å; R748-E757 HydrophobicContact CB-CB 3.87Å; R748-E757 VanDerWaalsContact CD-OE2 3.3Å; R748-E757 WeakPolarHBondContact CD-OE2 3.5Å; R748-E757 HydrophobicContact CG-CB 4.24Å; R748-E757 IonicContact CZ-OE2 3.36Å; R748-E757 PolarHBondContact N-O 2.02Å; R748-E757 IonicContact NE-OE2 3.7Å; R748-E757 IonicContact NH1-OE2 3.45Å; R748-E757 PolarHBondContact NH1-OE2 2.78Å; R748-E757 PolarHBondContact O-N 2.02Å; R748-E757 VanDerWaalsContact O-N 3.13Å
749	C	86.1	Confident	83.3	Confident	14 Å²	14	64.9 Å²	64.9	10%	0.095	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154	179.8	68.1	0	0	0	0	110.8	Y731 C742 V754	Y731-C749 WeakPolarHBondContact CB-O 3.4Å; Y731-C749 WeakPolarHBondContact CD1-SG 3.44Å; C742-C749 WeakPolarHBondContact CA-SG 3.38Å; C742-C749 HydrophobicContact CB-CB 3.78Å; C742-C749 WeakPolarHBondContact CB-SG 3.44Å; C742-C749 WeakPolarHBondContact SG-CB 3.06Å; C742-C749 PolarHBondContact SG-N 3.39Å; C742-C749 VanDerWaalsContact SG-N 3.4Å; C742-C749 CovalentContact SG-SG 2.02Å; C742-C749 PolarHBondContact SG-SG 2.93Å; C749-V754 CarbonylContact C-O 3.22Å; C749-V754 WeakPolarHBondContact CA-O 3.14Å; C749-V754 WeakPolarHBondContact CB-O 3.14Å
750	S	85.5	Confident	82.5	Confident	76 Å²	76	70.8 Å²	70.8	53%	0.531	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-19.5	173.1	55.3	0	0	0	0	112.9	Y731 V754	Y731-S750 WeakPolarHBondContact CD2-O 3.45Å; S750-V754 PolarHBondContact N-O 3.07Å; S750-V754 WeakPolarHBondContact OG-CG1 3.36Å
751	A	82.5	Confident	81.4	Confident	36 Å²	36	69.2 Å²	69.2	30%	0.298	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	168.5	172.5	0	0	0	0	0	109.3	N753 V754	A751-N753 PolarHBondContact O-N 2.87Å; A751-V754 HydrophobicContact CB-CB 4.14Å; A751-V754 HydrophobicContact CB-CG2 4.04Å; A751-V754 PolarHBondContact O-N 2.74Å
752	S	78.9	Confident	80.7	Confident	50 Å²	50	64 Å²	64	35%	0.35	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-34	-178.6	-174.9	0	0	0	0	113.8	Y731 Q743	Y731-S752 VanDerWaalsContact CZ-N 3.3Å; Y731-S752 WeakPolarHBondContact OH-CB 3.07Å; Q743-S752 VanDerWaalsContact CB-O 3.22Å; Q743-S752 WeakPolarHBondContact CB-O 3.38Å; Q743-S752 WeakPolarHBondContact CG-O 3.14Å
753	N	78.8	Confident	79.7	Confident	98 Å²	98	65.4 Å²	65.4	52%	0.524	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	4.5	-178.8	-65.6	-35.2	0	0	0	114.6	Q743 A751	Q743-N753 VanDerWaalsContact CD-OD1 3.32Å; Q743-N753 PolarHBondContact NE2-OD1 3Å; A751-N753 PolarHBondContact O-N 2.87Å
754	V	83.5	Confident	78.9	Confident	41 Å²	41	65.3 Å²	65.3	25%	0.248	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	89.7	-171.1	-174.3	0	0	0	0	110.4	C749 S750 A751 H767	C749-V754 CarbonylContact C-O 3.22Å; C749-V754 WeakPolarHBondContact CA-O 3.14Å; C749-V754 WeakPolarHBondContact CB-O 3.14Å; S750-V754 PolarHBondContact N-O 3.07Å; S750-V754 WeakPolarHBondContact OG-CG1 3.36Å; A751-V754 HydrophobicContact CB-CB 4.14Å; A751-V754 HydrophobicContact CB-CG2 4.04Å; A751-V754 PolarHBondContact O-N 2.74Å; V754-H767 HydrophobicContact CG1-CB 4.35Å
755	C	83.4	Confident	78.4	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.1	175.8	-163.3	0	0	0	0	111.6	C746 R748 E757 L764 H767 C769	C746-C755 WeakPolarHBondContact CA-SG 2.93Å; C746-C755 HydrophobicContact CB-CB 3.83Å; C746-C755 WeakPolarHBondContact CB-SG 3.23Å; C746-C755 WeakPolarHBondContact SG-CA 3.22Å; C746-C755 WeakPolarHBondContact SG-CB 3.46Å; C746-C755 CovalentContact SG-SG 2.02Å; C746-C755 PolarHBondContact SG-SG 2.9Å; R748-C755 PolarHBondContact O-SG 2.8Å; C755-E757 PolarHBondContact SG-O 3.3Å; C755-L764 HydrophobicContact CB-CD1 4.04Å; C755-L764 WeakPolarHBondContact O-CD1 3.39Å; C755-H767 WeakPolarHBondContact CA-O 3.2Å; C755-H767 WeakPolarHBondContact CB-O 3.42Å; C755-H767 PolarHBondContact N-O 2.74Å; C755-C769 PolarHBondContact SG-SG 2.91Å
756	T	84.6	Confident	78.3	Confident	77 Å²	77	61.9 Å²	61.9	47%	0.472	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-18.2	178	60.1	0	0	0	0	112.6	R748 L764	R748-T756 PolarHBondContact O-N 3.01Å; R748-T756 PolarHBondContact O-OG1 2.01Å; T756-L764 WeakPolarHBondContact O-CD2 2.98Å
757	E	84.2	Confident	78	Confident	58 Å²	58	67.3 Å²	67.3	27%	0.271	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	135.8	176.7	-163.8	-175.8	150.9	0	0	110.7	R747 R748 C755	R747-E757 WeakPolarHBondContact CA-O 2.95Å; R747-E757 WeakPolarHBondContact CB-O 3.3Å; R747-E757 WeakPolarHBondContact CD-OE1 3.43Å; R747-E757 IonicContact CZ-OE1 3.44Å; R747-E757 PolarHBondContact N-O 2.99Å; R747-E757 IonicContact NE-OE1 3.88Å; R747-E757 IonicContact NH1-OE1 3.53Å; R747-E757 PolarHBondContact NH1-OE1 3.17Å; R748-E757 HydrophobicContact CB-CB 3.87Å; R748-E757 VanDerWaalsContact CD-OE2 3.3Å; R748-E757 WeakPolarHBondContact CD-OE2 3.5Å; R748-E757 HydrophobicContact CG-CB 4.24Å; R748-E757 IonicContact CZ-OE2 3.36Å; R748-E757 PolarHBondContact N-O 2.02Å; R748-E757 IonicContact NE-OE2 3.7Å; R748-E757 IonicContact NH1-OE2 3.45Å; R748-E757 PolarHBondContact NH1-OE2 2.78Å; R748-E757 PolarHBondContact O-N 2.02Å; R748-E757 VanDerWaalsContact O-N 3.13Å; C755-E757 PolarHBondContact SG-O 3.3Å
758	C	81.4	Confident	77.4	Confident	16 Å²	16	68.5 Å²	68.5	11%	0.108	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.6	-175.7	-62.7	0	0	0	0	113.9	M762 L764 C769	C758-M762 HydrophobicContact CB-CB 4.11Å; C758-L764 WeakPolarHBondContact SG-CA 2.96Å; C758-L764 VanDerWaalsContact SG-CD1 3.6Å; C758-L764 PolarHBondContact SG-N 3.06Å; C758-C769 WeakPolarHBondContact CA-SG 2.92Å; C758-C769 HydrophobicContact CB-CB 3.63Å; C758-C769 WeakPolarHBondContact CB-SG 3.32Å; C758-C769 WeakPolarHBondContact SG-CA 3.12Å; C758-C769 WeakPolarHBondContact SG-CB 3.49Å; C758-C769 CovalentContact SG-SG 2.01Å; C758-C769 PolarHBondContact SG-SG 3.49Å
759	K	79.9	Confident	76.9	Confident	103 Å²	103	63.9 Å²	63.9	45%	0.448	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-67.6	153.4	171.8	-67.7	-176.4	-175.9	179.6	0	110.9	N745 C746 R747 G761 M762	N745-K759 PolarHBondContact O-N 3.22Å; C746-K759 WeakPolarHBondContact O-CE 3.22Å; R747-K759 HydrophobicContact CB-CG 4.09Å; K759-G761 PolarHBondContact O-N 3.18Å; K759-M762 PolarHBondContact O-N 3.47Å
760	P	73.8	Confident	76.1	Confident	124 Å²	124	67.2 Å²	67.2	81%	0.805	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	136.9	-176.7	-25.3	33.8	0	0	0	113.1
761	G	64.1	Low	75	Confident	50 Å²	50	68 Å²	68	52%	0.515	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-5.3	-175.2	0	0	0	0	0	114.6	K759 T772	K759-G761 PolarHBondContact O-N 3.18Å; G761-T772 PolarHBondContact O-N 3.48Å; G761-T772 PolarHBondContact O-OG1 3.24Å
762	M	71.9	Confident	74.1	Confident	46 Å²	46	70.3 Å²	70.3	23%	0.227	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.1	178.6	-55	-168.7	-165.4	0	0	111.3	N745 C758 K759 C769 Q770 M771	N745-M762 HydrophobicContact CB-CE 3.98Å; N745-M762 HydrophobicContact CB-SD 3.53Å; N745-M762 VanDerWaalsContact CB-SD 3.53Å; C758-M762 HydrophobicContact CB-CB 4.11Å; K759-M762 PolarHBondContact O-N 3.47Å; M762-C769 HydrophobicContact CB-CB 4.32Å; M762-C769 HydrophobicContact SD-CB 4.39Å; M762-Q770 CarbonylContact C-O 3.55Å; M762-Q770 WeakPolarHBondContact CA-O 3.21Å; M762-Q770 WeakPolarHBondContact CB-O 3.4Å; M762-M771 HydrophobicContact CE-SD 3.61Å; M762-M771 HydrophobicContact CG-SD 3.61Å; M762-M771 HydrophobicContact SD-SD 4.11Å
763	S	65.9	Low	73.5	Confident	40 Å²	40	69.4 Å²	69.4	28%	0.28	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.8	177.1	62.8	0	0	0	0	110.4	Q765 Q770	S763-Q765 PolarHBondContact O-N 3.2Å; S763-Q770 PolarHBondContact N-O 2.92Å; S763-Q770 PolarHBondContact O-N 2.75Å; S763-Q770 PolarHBondContact OG-O 3.03Å
764	L	64.4	Low	73	Confident	74 Å²	74	70.7 Å²	70.7	39%	0.387	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.5	178.2	-173.1	72.1	0	0	0	109.1	C755 T756 C758	C755-L764 HydrophobicContact CB-CD1 4.04Å; C755-L764 WeakPolarHBondContact O-CD1 3.39Å; T756-L764 WeakPolarHBondContact O-CD2 2.98Å; C758-L764 WeakPolarHBondContact SG-CA 2.96Å; C758-L764 VanDerWaalsContact SG-CD1 3.6Å; C758-L764 PolarHBondContact SG-N 3.06Å
765	Q	67.4	Low	71.9	Confident	107 Å²	107	74.5 Å²	74.5	50%	0.5	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	106.3	173.5	-67.4	-165.7	9.5	0	0	109.2	S763 H767 K768	S763-Q765 PolarHBondContact O-N 3.2Å; Q765-H767 PolarHBondContact O-N 3.4Å; Q765-K768 PolarHBondContact N-O 3.34Å; Q765-K768 PolarHBondContact O-N 3.32Å; Q765-K768 VanDerWaalsContact O-O 3.11Å
766	G	74.6	Confident	71.3	Confident	62 Å²	62	75.3 Å²	75.3	64%	0.639	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-119.9	-168.2	0	0	0	0	0	110.8
767	H	75.2	Confident	70.9	Confident	119 Å²	119	73.3 Å²	73.3	55%	0.551	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	16.1	179	-66.3	-50.6	0	0	0	113.6	V754 C755 Q765	V754-H767 HydrophobicContact CG1-CB 4.35Å; C755-H767 WeakPolarHBondContact CA-O 3.2Å; C755-H767 WeakPolarHBondContact CB-O 3.42Å; C755-H767 PolarHBondContact N-O 2.74Å; Q765-H767 PolarHBondContact O-N 3.4Å
768	K	72.9	Confident	70.4	Confident	124 Å²	124	72.1 Å²	72.1	54%	0.539	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.2	-178.7	-68.2	-174.8	178.2	-179.4	0	111.8	Q765	Q765-K768 PolarHBondContact N-O 3.34Å; Q765-K768 PolarHBondContact O-N 3.32Å; Q765-K768 VanDerWaalsContact O-O 3.11Å
769	C	75.3	Confident	69.9	Low	21 Å²	21	74.5 Å²	74.5	14%	0.142	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.6	-178.6	-64.2	0	0	0	0	112.3	N745 C755 C758 M762	N745-C769 HydrophobicContact CB-CB 4.3Å; C755-C769 PolarHBondContact SG-SG 2.91Å; C758-C769 WeakPolarHBondContact CA-SG 2.92Å; C758-C769 HydrophobicContact CB-CB 3.63Å; C758-C769 WeakPolarHBondContact CB-SG 3.32Å; C758-C769 WeakPolarHBondContact SG-CA 3.12Å; C758-C769 WeakPolarHBondContact SG-CB 3.49Å; C758-C769 CovalentContact SG-SG 2.01Å; C758-C769 PolarHBondContact SG-SG 3.49Å; M762-C769 HydrophobicContact CB-CB 4.32Å; M762-C769 HydrophobicContact SD-CB 4.39Å
770	Q	69.1	Low	69.4	Low	83 Å²	83	70.7 Å²	70.7	39%	0.388	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.6	-178.3	-61	-172.6	20	0	0	112.1	M762 S763	M762-Q770 CarbonylContact C-O 3.55Å; M762-Q770 WeakPolarHBondContact CA-O 3.21Å; M762-Q770 WeakPolarHBondContact CB-O 3.4Å; S763-Q770 PolarHBondContact N-O 2.92Å; S763-Q770 PolarHBondContact O-N 2.75Å; S763-Q770 PolarHBondContact OG-O 3.03Å
771	M	63.3	Low	68.5	Low	94 Å²	94	67.2 Å²	67.2	46%	0.463	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	145.9	-175.6	-71.2	-64.6	-62.8	0	0	113.4	M762 F779	M762-M771 HydrophobicContact CE-SD 3.61Å; M762-M771 HydrophobicContact CG-SD 3.61Å; M762-M771 HydrophobicContact SD-SD 4.11Å; M771-F779 HydrophobicContact CB-CD2 4.3Å; M771-F779 HydrophobicContact CB-CE2 4.13Å; M771-F779 HydrophobicContact CB-CZ 4.33Å
772	T	64	Low	68.2	Low	84 Å²	84	73.7 Å²	73.7	52%	0.515	41%	0.413	S	S	.	.			trans	-106.9	127.6	179.9	-16.5	0	0	0	0	110.3	G761	G761-T772 PolarHBondContact O-N 3.48Å; G761-T772 PolarHBondContact O-OG1 3.24Å
773	C	65.9	Low	67.7	Low	31 Å²	31	79.9 Å²	79.9	21%	0.209	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-99.4	159.1	-178.1	-72.6	0	0	0	0	113.1	F779 C786	C773-F779 VanDerWaalsContact SG-CA 3.55Å; C773-F779 VanDerWaalsContact SG-CB 3.55Å; C773-C786 HydrophobicContact CB-CB 3.75Å; C773-C786 WeakPolarHBondContact CB-SG 3.4Å; C773-C786 VanDerWaalsContact SG-CA 3.59Å; C773-C786 WeakPolarHBondContact SG-CB 3.02Å; C773-C786 CovalentContact SG-SG 2.03Å; C773-C786 PolarHBondContact SG-SG 2.97Å
774	N	67.3	Low	67.5	Low	125 Å²	125	88 Å²	88	67%	0.668	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-67.3	154.2	179	-71.1	-20.6	0	0	0	112.2	G776 T777	N774-G776 PolarHBondContact O-N 2.92Å; N774-T777 PolarHBondContact N-OG1 2.79Å; N774-T777 PolarHBondContact O-N 3.47Å; N774-T777 VanDerWaalsContact O-N 3.08Å; N774-T777 PolarHBondContact O-OG1 3.49Å
775	P	62.1	Low	67.6	Low	121 Å²	121	88 Å²	88	79%	0.786	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	138.4	176.2	-24.1	33.5	0	0	0	112.3	T777	P775-T777 VanDerWaalsContact C-N 3.33Å
776	G	70.3	Confident	68	Low	23 Å²	23	85.9 Å²	85.9	24%	0.237	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-4.3	-173.5	0	0	0	0	0	115.1	N774 C789 A794	N774-G776 PolarHBondContact O-N 2.92Å; G776-C789 WeakPolarHBondContact O-CB 3.47Å; G776-C789 PolarHBondContact O-N 2.93Å; G776-A794 WeakPolarHBondContact CA-O 3.24Å; G776-A794 PolarHBondContact N-O 3.16Å
777	T	76.8	Confident	68.2	Low	34 Å²	34	84.7 Å²	84.7	21%	0.209	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.3	177.7	66.3	0	0	0	0	111.6	N774 P775 E787 L788	N774-T777 PolarHBondContact N-OG1 2.79Å; N774-T777 PolarHBondContact O-N 3.47Å; N774-T777 VanDerWaalsContact O-N 3.08Å; N774-T777 PolarHBondContact O-OG1 3.49Å; P775-T777 VanDerWaalsContact C-N 3.33Å; T777-E787 CarbonylContact C-O 3.44Å; T777-E787 WeakPolarHBondContact CA-O 3.15Å; T777-E787 VanDerWaalsContact CB-O 3.29Å; T777-E787 WeakPolarHBondContact CB-O 3.4Å; T777-L788 HydrophobicContact CG2-CD2 4.29Å; T777-L788 HydrophobicContact CG2-CG 4.31Å
778	Y	73.3	Confident	68.4	Low	33 Å²	33	85.5 Å²	85.5	13%	0.129	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.8	174.8	84.5	-76.2	0	0	0	110.6	N780 C786 E787 C796 A797 T799	Y778-N780 PolarHBondContact O-N 2.75Å; Y778-C786 CarbonylContact O-C 3.57Å; Y778-C786 WeakPolarHBondContact O-CA 3.29Å; Y778-E787 WeakPolarHBondContact CD1-O 3.04Å; Y778-E787 HydrophobicContact CE1-CB 4.15Å; Y778-E787 PolarHBondContact N-O 3.19Å; Y778-E787 PolarHBondContact O-N 3.28Å; Y778-C796 WeakPolarHBondContact CB-O 3.41Å; Y778-C796 WeakPolarHBondContact CD1-SG 3.42Å; Y778-A797 VanDerWaalsContact CD2-C 3.46Å; Y778-A797 WeakPolarHBondContact CD2-O 3.44Å; Y778-A797 WeakPolarHBondContact CE2-O 3.41Å; Y778-T799 HydrophobicContact CE1-CG2 3.62Å; Y778-T799 VanDerWaalsContact CE1-N 3.31Å; Y778-T799 WeakPolarHBondContact OH-CG2 3.07Å; Y778-T799 PolarHBondContact OH-N 2.86Å
779	F	70.9	Confident	68.8	Low	66 Å²	66	80.3 Å²	80.3	29%	0.289	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.2	-177	-173.4	-113.7	0	0	0	110.4	M771 C773 G781 R784	M771-F779 HydrophobicContact CB-CD2 4.3Å; M771-F779 HydrophobicContact CB-CE2 4.13Å; M771-F779 HydrophobicContact CB-CZ 4.33Å; C773-F779 VanDerWaalsContact SG-CA 3.55Å; C773-F779 VanDerWaalsContact SG-CB 3.55Å; F779-G781 PolarHBondContact O-N 3.19Å; F779-R784 HydrophobicContact CZ-CB 4.36Å
780	N	68.3	Low	69.3	Low	24 Å²	24	82.2 Å²	82.2	13%	0.128	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	102.4	171.8	-172.8	-36	0	0	0	109.1	Y778 H782 R783 R784 T785 E787	Y778-N780 PolarHBondContact O-N 2.75Å; N780-H782 PolarHBondContact O-N 2.9Å; N780-H782 VanDerWaalsContact O-N 3.12Å; N780-H782 PolarHBondContact OD1-N 2.72Å; N780-H782 VanDerWaalsContact OD1-N 3.12Å; N780-R783 PolarHBondContact O-N 3.44Å; N780-R783 VanDerWaalsContact O-N 3.16Å; N780-R783 PolarHBondContact OD1-N 3.28Å; N780-R784 PolarHBondContact O-N 3.49Å; N780-T785 PolarHBondContact N-O 2.03Å; N780-E787 HydrophobicContact CB-CB 4.45Å; N780-E787 HydrophobicContact CB-CG 4.02Å; N780-E787 PolarHBondContact ND2-OE2 3.34Å
781	G	55.6	Low	70	Confident	51 Å²	51	88.3 Å²	88.3	53%	0.526	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.5	-176.4	0	0	0	0	0	115.3	F779	F779-G781 PolarHBondContact O-N 3.19Å
782	H	58.2	Low	70.9	Confident	185 Å²	185	84 Å²	84	86%	0.856	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-37.3	177.6	-67.9	-68.7	0	0	0	112.8	N780	N780-H782 PolarHBondContact O-N 2.9Å; N780-H782 VanDerWaalsContact O-N 3.12Å; N780-H782 PolarHBondContact OD1-N 2.72Å; N780-H782 VanDerWaalsContact OD1-N 3.12Å
783	R	61	Low	71.9	Confident	177 Å²	177	80.3 Å²	80.3	67%	0.668	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-9	-178.2	-70.7	178.7	172.5	177.7	-0.7	113.4	N780 T785 E787	N780-R783 PolarHBondContact O-N 3.44Å; N780-R783 VanDerWaalsContact O-N 3.16Å; N780-R783 PolarHBondContact OD1-N 3.28Å; R783-T785 PolarHBondContact O-N 3.08Å; R783-T785 VanDerWaalsContact O-N 3.14Å; R783-E787 WeakPolarHBondContact CD-OE1 3.17Å; R783-E787 IonicContact CZ-OE1 2.66Å; R783-E787 IonicContact NE-OE1 3.87Å; R783-E787 IonicContact NH1-OE1 2.66Å; R783-E787 PolarHBondContact NH1-OE1 2.85Å
784	R	61.7	Low	72.5	Confident	210 Å²	210	80.5 Å²	80.5	79%	0.792	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	27.4	-178.9	-58.8	-178.7	176.6	179.1	-1.7	113	F779 N780	F779-R784 HydrophobicContact CZ-CB 4.36Å; N780-R784 PolarHBondContact O-N 3.49Å
785	T	67.6	Low	73.1	Confident	73 Å²	73	76.7 Å²	76.7	45%	0.448	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.4	177.9	51.7	0	0	0	0	109.2	N780 R783 E787	N780-T785 PolarHBondContact N-O 2.03Å; R783-T785 PolarHBondContact O-N 3.08Å; R783-T785 VanDerWaalsContact O-N 3.14Å; T785-E787 PolarHBondContact O-N 2.63Å
786	C	75.7	Confident	73.8	Confident	64 Å²	64	71.5 Å²	71.5	43%	0.432	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.6	170.7	-58.1	0	0	0	0	108.4	C773 Y778	C773-C786 HydrophobicContact CB-CB 3.75Å; C773-C786 WeakPolarHBondContact CB-SG 3.4Å; C773-C786 VanDerWaalsContact SG-CA 3.59Å; C773-C786 WeakPolarHBondContact SG-CB 3.02Å; C773-C786 CovalentContact SG-SG 2.03Å; C773-C786 PolarHBondContact SG-SG 2.97Å; Y778-C786 CarbonylContact O-C 3.57Å; Y778-C786 WeakPolarHBondContact O-CA 3.29Å
787	E	77.6	Confident	74.1	Confident	37 Å²	37	73.9 Å²	73.9	17%	0.173	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	151.9	177.4	-70.2	-171.2	158.5	0	0	110.5	T777 Y778 N780 R783 T785	T777-E787 CarbonylContact C-O 3.44Å; T777-E787 WeakPolarHBondContact CA-O 3.15Å; T777-E787 VanDerWaalsContact CB-O 3.29Å; T777-E787 WeakPolarHBondContact CB-O 3.4Å; Y778-E787 WeakPolarHBondContact CD1-O 3.04Å; Y778-E787 HydrophobicContact CE1-CB 4.15Å; Y778-E787 PolarHBondContact N-O 3.19Å; Y778-E787 PolarHBondContact O-N 3.28Å; N780-E787 HydrophobicContact CB-CB 4.45Å; N780-E787 HydrophobicContact CB-CG 4.02Å; N780-E787 PolarHBondContact ND2-OE2 3.34Å; R783-E787 WeakPolarHBondContact CD-OE1 3.17Å; R783-E787 IonicContact CZ-OE1 2.66Å; R783-E787 IonicContact NE-OE1 3.87Å; R783-E787 IonicContact NH1-OE1 2.66Å; R783-E787 PolarHBondContact NH1-OE1 2.85Å; T785-E787 PolarHBondContact O-N 2.63Å
788	L	79.1	Confident	74.1	Confident	135 Å²	135	72.8 Å²	72.8	71%	0.707	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	139	-176.1	-81.3	143.7	0	0	0	111.6	T777	T777-L788 HydrophobicContact CG2-CD2 4.29Å; T777-L788 HydrophobicContact CG2-CG 4.31Å
789	C	82.8	Confident	74.4	Confident	16 Å²	16	75 Å²	75	11%	0.108	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-69	159	169.9	-67.3	0	0	0	0	111.9	G776 R791 C793 C796	G776-C789 WeakPolarHBondContact O-CB 3.47Å; G776-C789 PolarHBondContact O-N 2.93Å; C789-R791 PolarHBondContact O-N 3.35Å; C789-C793 HydrophobicContact CB-CB 4.4Å; C789-C796 WeakPolarHBondContact CA-SG 3.49Å; C789-C796 HydrophobicContact CB-CB 3.69Å; C789-C796 WeakPolarHBondContact CB-SG 3.02Å; C789-C796 WeakPolarHBondContact SG-CB 2.88Å; C789-C796 PolarHBondContact SG-N 3.48Å; C789-C796 CovalentContact SG-SG 2.02Å; C789-C796 PolarHBondContact SG-SG 3.47Å
790	H	85.4	Confident	74.6	Confident	60 Å²	60	73.7 Å²	73.7	28%	0.278	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-56.3	140.8	167.5	-173.5	-96.4	0	0	0	109.9	A792 C793	H790-A792 PolarHBondContact ND1-N 3.39Å; H790-A792 PolarHBondContact O-N 2.87Å; H790-C793 WeakPolarHBondContact O-CA 3.32Å; H790-C793 WeakPolarHBondContact O-CB 3.04Å; H790-C793 PolarHBondContact O-N 3.19Å
791	R	83.5	Confident	75.1	Confident	212 Å²	212	76.1 Å²	76.1	80%	0.8	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.4	-172.1	66.3	178.5	-178.7	174.8	1	115.6	C789 C793	C789-R791 PolarHBondContact O-N 3.35Å; R791-C793 PolarHBondContact O-N 3.37Å
792	A	82.2	Confident	76.3	Confident	2 Å²	2	80.5 Å²	80.5	2%	0.017	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.1	177.3	0	0	0	0	0	112.9	H790 A808 Y811 C818	H790-A792 PolarHBondContact ND1-N 3.39Å; H790-A792 PolarHBondContact O-N 2.87Å; A792-A808 PolarHBondContact O-N 3.14Å; A792-Y811 HydrophobicContact CB-CD1 3.85Å; A792-Y811 HydrophobicContact CB-CE1 3.86Å; A792-Y811 HydrophobicContact CB-CG 4.2Å; A792-C818 HydrophobicContact CB-CB 3.93Å; A792-C818 VanDerWaalsContact O-CB 3.25Å; A792-C818 WeakPolarHBondContact O-CB 3.01Å
793	C	84.4	Confident	77.3	Confident	7 Å²	7	73.1 Å²	73.1	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.5	-165.7	-48.3	0	0	0	0	110.8	C789 H790 R791 C796 C804 K806 C818	C789-C793 HydrophobicContact CB-CB 4.4Å; H790-C793 WeakPolarHBondContact O-CA 3.32Å; H790-C793 WeakPolarHBondContact O-CB 3.04Å; H790-C793 PolarHBondContact O-N 3.19Å; R791-C793 PolarHBondContact O-N 3.37Å; C793-C796 HydrophobicContact CB-CB 4.47Å; C793-C804 HydrophobicContact CB-CB 3.57Å; C793-C804 WeakPolarHBondContact CB-SG 3.49Å; C793-C804 WeakPolarHBondContact SG-CB 3.33Å; C793-C804 CovalentContact SG-SG 1.98Å; C793-C804 PolarHBondContact SG-SG 2.76Å; C793-K806 CarbonylContact C-O 3.59Å; C793-K806 WeakPolarHBondContact CA-O 3.3Å; C793-C818 VanDerWaalsContact SG-SG 3.64Å
794	A	79.6	Confident	78.2	Confident	35 Å²	35	64.7 Å²	64.7	29%	0.289	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-35.2	174.8	0	0	0	0	0	111.6	G776 K806 C807	G776-A794 WeakPolarHBondContact CA-O 3.24Å; G776-A794 PolarHBondContact N-O 3.16Å; A794-K806 HydrophobicContact CB-CB 4.44Å; A794-K806 HydrophobicContact CB-CG 4.37Å; A794-K806 PolarHBondContact N-O 3.16Å; A794-C807 WeakPolarHBondContact CB-O 3.37Å
795	T	78.5	Confident	79.1	Confident	46 Å²	46	57 Å²	57	28%	0.282	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.5	168.4	60.6	0	0	0	0	109.7	T805 K806	T795-T805 VanDerWaalsContact C-OG1 3.25Å; T795-T805 WeakPolarHBondContact CB-OG1 2.97Å; T795-T805 PolarHBondContact O-N 3.12Å; T795-T805 PolarHBondContact O-OG1 3.2Å; T795-T805 PolarHBondContact OG1-OG1 3.46Å; T795-K806 PolarHBondContact N-O 3.04Å; T795-K806 PolarHBondContact O-N 2.76Å; T795-K806 WeakPolarHBondContact OG1-CB 3.37Å; T795-K806 PolarHBondContact OG1-N 3.37Å
796	C	78.3	Confident	79.7	Confident	12 Å²	12	57.1 Å²	57.1	8%	0.081	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	164.1	-175.4	67.9	0	0	0	0	110.5	Y778 C789 C793 G798 A803	Y778-C796 WeakPolarHBondContact CB-O 3.41Å; Y778-C796 WeakPolarHBondContact CD1-SG 3.42Å; C789-C796 WeakPolarHBondContact CA-SG 3.49Å; C789-C796 HydrophobicContact CB-CB 3.69Å; C789-C796 WeakPolarHBondContact CB-SG 3.02Å; C789-C796 WeakPolarHBondContact SG-CB 2.88Å; C789-C796 PolarHBondContact SG-N 3.48Å; C789-C796 CovalentContact SG-SG 2.02Å; C789-C796 PolarHBondContact SG-SG 3.47Å; C793-C796 HydrophobicContact CB-CB 4.47Å; C796-G798 WeakPolarHBondContact CB-O 3.48Å; C796-G798 PolarHBondContact SG-O 3.28Å; C796-A803 CarbonylContact C-O 3.57Å; C796-A803 WeakPolarHBondContact CA-O 3.29Å; C796-A803 VanDerWaalsContact CB-O 3.3Å; C796-A803 WeakPolarHBondContact CB-O 3.44Å
797	A	76.7	Confident	80	Confident	72 Å²	72	54.7 Å²	54.7	60%	0.595	30%	0.304	S	S	*	.	S	Bend	trans	-107.1	2.1	170.8	0	0	0	0	0	111.8	Y778 A803 T805	Y778-A797 VanDerWaalsContact CD2-C 3.46Å; Y778-A797 WeakPolarHBondContact CD2-O 3.44Å; Y778-A797 WeakPolarHBondContact CE2-O 3.41Å; A797-A803 PolarHBondContact N-O 3.11Å; A797-T805 HydrophobicContact CB-CG2 4.08Å
798	G	76.6	Confident	80.1	Confident	12 Å²	12	54.1 Å²	54.1	12%	0.124	31%	0.306	C	S	.	.	S	Bend	trans	-164.2	161.7	-176.2	0	0	0	0	0	111.6	C796 G800	C796-G798 WeakPolarHBondContact CB-O 3.48Å; C796-G798 PolarHBondContact SG-O 3.28Å; G798-G800 VanDerWaalsContact C-N 3.25Å; G798-G800 PolarHBondContact O-N 3.13Å
799	T	78.4	Confident	80.2	Confident	80 Å²	80	55.7 Å²	55.7	49%	0.491	32%	0.315	S	S	.	.	S	Bend	trans	-71	-17.6	177.1	46.4	0	0	0	0	113.9	Y778	Y778-T799 HydrophobicContact CE1-CG2 3.62Å; Y778-T799 VanDerWaalsContact CE1-N 3.31Å; Y778-T799 WeakPolarHBondContact OH-CG2 3.07Å; Y778-T799 PolarHBondContact OH-N 2.86Å
800	G	76.6	Confident	79.8	Confident	37 Å²	37	58.1 Å²	58.1	38%	0.381	34%	0.343	S	S	.	.	S	Bend	trans	-78.3	157.5	-178.6	0	0	0	0	0	113.8	G798 E802 A803	G798-G800 VanDerWaalsContact C-N 3.25Å; G798-G800 PolarHBondContact O-N 3.13Å; G800-E802 PolarHBondContact O-N 3.02Å; G800-A803 PolarHBondContact O-N 3.17Å
801	I	78.4	Confident	79.7	Confident	75 Å²	75	58.6 Å²	58.6	39%	0.385	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.6	179.9	-165.7	170.5	0	0	0	113.8	C804 R817	I801-C804 PolarHBondContact O-SG 3.12Å; I801-C804 VanDerWaalsContact O-SG 3.33Å; I801-R817 VanDerWaalsContact O-CA 3.31Å; I801-R817 WeakPolarHBondContact O-CA 3.33Å; I801-R817 WeakPolarHBondContact O-CB 3.44Å
802	E	79.1	Confident	79.8	Confident	144 Å²	144	49.3 Å²	49.3	67%	0.673	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	1.1	179.9	-58.1	-177.6	164.4	0	0	113.7	G800 W816	G800-E802 PolarHBondContact O-N 3.02Å; E802-W816 CarbonylContact C-O 3.53Å; E802-W816 CarbonylContact O-C 3.58Å; E802-W816 WeakPolarHBondContact O-CB 3.43Å
803	A	79.4	Confident	79.7	Confident	29 Å²	29	50.9 Å²	50.9	24%	0.24	32%	0.317	C	S	.	.	S	Bend	trans	-108.3	28.6	-178.8	0	0	0	0	0	111.7	C796 A797 G800	C796-A803 CarbonylContact C-O 3.57Å; C796-A803 WeakPolarHBondContact CA-O 3.29Å; C796-A803 VanDerWaalsContact CB-O 3.3Å; C796-A803 WeakPolarHBondContact CB-O 3.44Å; A797-A803 PolarHBondContact N-O 3.11Å; G800-A803 PolarHBondContact O-N 3.17Å
804	C	81.4	Confident	79.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.4	-171.4	-61.3	0	0	0	0	111.4	C793 I801 L813 W816 C818	C793-C804 HydrophobicContact CB-CB 3.57Å; C793-C804 WeakPolarHBondContact CB-SG 3.49Å; C793-C804 WeakPolarHBondContact SG-CB 3.33Å; C793-C804 CovalentContact SG-SG 1.98Å; C793-C804 PolarHBondContact SG-SG 2.76Å; I801-C804 PolarHBondContact O-SG 3.12Å; I801-C804 VanDerWaalsContact O-SG 3.33Å; C804-L813 WeakPolarHBondContact O-CD1 3.41Å; C804-W816 WeakPolarHBondContact CA-O 3.31Å; C804-W816 WeakPolarHBondContact CB-O 3.42Å; C804-W816 PolarHBondContact N-O 2.96Å; C804-W816 CarbonylContact O-C 3.48Å; C804-W816 WeakPolarHBondContact O-CA 3.3Å; C804-W816 VanDerWaalsContact O-O 3.1Å; C804-C818 WeakPolarHBondContact CB-SG 3.41Å
805	T	79.4	Confident	79.8	Confident	50 Å²	50	54.3 Å²	54.3	31%	0.307	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-26.2	-177	65.5	0	0	0	0	111.5	T795 A797 W816	T795-T805 VanDerWaalsContact C-OG1 3.25Å; T795-T805 WeakPolarHBondContact CB-OG1 2.97Å; T795-T805 PolarHBondContact O-N 3.12Å; T795-T805 PolarHBondContact O-OG1 3.2Å; T795-T805 PolarHBondContact OG1-OG1 3.46Å; A797-T805 HydrophobicContact CB-CG2 4.08Å; T805-W816 HydrophobicContact CG2-CE3 3.91Å; T805-W816 HydrophobicContact CG2-CZ3 3.56Å
806	K	79.9	Confident	79.8	Confident	74 Å²	74	59.7 Å²	59.7	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.2	169.5	-168.7	171.6	-177.8	177.7	0	109.5	C793 A794 T795	C793-K806 CarbonylContact C-O 3.59Å; C793-K806 WeakPolarHBondContact CA-O 3.3Å; A794-K806 HydrophobicContact CB-CB 4.44Å; A794-K806 HydrophobicContact CB-CG 4.37Å; A794-K806 PolarHBondContact N-O 3.16Å; T795-K806 PolarHBondContact N-O 3.04Å; T795-K806 PolarHBondContact O-N 2.76Å; T795-K806 WeakPolarHBondContact OG1-CB 3.37Å; T795-K806 PolarHBondContact OG1-N 3.37Å
807	C	82.6	Confident	80.2	Confident	14 Å²	14	63.7 Å²	63.7	10%	0.095	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	149.4	-179.5	-60.1	0	0	0	0	112.9	A794 Y811 L812 L813 C818	A794-C807 WeakPolarHBondContact CB-O 3.37Å; C807-Y811 WeakPolarHBondContact CB-O 2.92Å; C807-L812 VanDerWaalsContact SG-C 3.55Å; C807-L813 WeakPolarHBondContact SG-CA 3.11Å; C807-L813 VanDerWaalsContact SG-CB 3.5Å; C807-L813 VanDerWaalsContact SG-CD1 3.57Å; C807-L813 PolarHBondContact SG-N 2.76Å; C807-L813 VanDerWaalsContact SG-N 3.37Å; C807-C818 WeakPolarHBondContact CA-SG 3.21Å; C807-C818 HydrophobicContact CB-CB 3.78Å; C807-C818 WeakPolarHBondContact CB-SG 3.25Å; C807-C818 WeakPolarHBondContact SG-CA 3.06Å; C807-C818 WeakPolarHBondContact SG-CB 3.38Å; C807-C818 CovalentContact SG-SG 2.02Å; C807-C818 PolarHBondContact SG-SG 3.27Å
808	A	80.6	Confident	80.7	Confident	24 Å²	24	60.4 Å²	60.4	20%	0.198	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69	158	170.6	0	0	0	0	0	110.2	A792 G810 Y811	A792-A808 PolarHBondContact O-N 3.14Å; A808-G810 PolarHBondContact O-N 3.16Å; A808-Y811 HydrophobicContact CB-CD2 4.46Å; A808-Y811 WeakPolarHBondContact O-CB 3.05Å; A808-Y811 PolarHBondContact O-N 3.41Å
809	D	79.7	Confident	81.1	Confident	168 Å²	168	61.1 Å²	61.1	90%	0.898	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	131.3	-176.2	-67.7	-28.4	0	0	0	111.6
810	G	75.9	Confident	81.3	Confident	67 Å²	67	62.8 Å²	62.8	69%	0.691	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-5.9	-175.3	0	0	0	0	0	115.4	A808	A808-G810 PolarHBondContact O-N 3.16Å
811	Y	83.4	Confident	81.7	Confident	71 Å²	71	66.3 Å²	66.3	28%	0.278	35%	0.352	S	S	.	.			trans	-110	153.3	174.8	-66.9	-98.2	0	0	0	112	A792 C807 A808 L820	A792-Y811 HydrophobicContact CB-CD1 3.85Å; A792-Y811 HydrophobicContact CB-CE1 3.86Å; A792-Y811 HydrophobicContact CB-CG 4.2Å; C807-Y811 WeakPolarHBondContact CB-O 2.92Å; A808-Y811 HydrophobicContact CB-CD2 4.46Å; A808-Y811 WeakPolarHBondContact O-CB 3.05Å; A808-Y811 PolarHBondContact O-N 3.41Å; Y811-L820 HydrophobicContact CD1-CD2 3.86Å; Y811-L820 HydrophobicContact CD1-CG 3.99Å; Y811-L820 HydrophobicContact CE1-CD1 4.37Å; Y811-L820 HydrophobicContact CE1-CD2 3.54Å; Y811-L820 HydrophobicContact CE1-CG 3.65Å; Y811-L820 HydrophobicContact CE2-CD2 4.44Å; Y811-L820 HydrophobicContact CG-CD2 4.43Å
812	L	84.1	Confident	82	Confident	16 Å²	16	64.3 Å²	64.3	8%	0.084	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.5	-174.3	-53.8	172.6	0	0	0	110	C807 C818 V819 L828 R840	C807-L812 VanDerWaalsContact SG-C 3.55Å; L812-C818 WeakPolarHBondContact O-CA 3.49Å; L812-V819 HydrophobicContact CB-CG2 4.39Å; L812-V819 WeakPolarHBondContact CB-O 3.47Å; L812-V819 PolarHBondContact N-O 2.83Å; L812-V819 PolarHBondContact O-N 2.85Å; L812-L828 HydrophobicContact CD1-CD1 3.67Å; L812-L828 HydrophobicContact CD2-CD1 3.45Å; L812-L828 VanDerWaalsContact CD2-CD1 3.45Å; L812-L828 HydrophobicContact CG-CD1 4.11Å; L812-R840 HydrophobicContact CD2-CB 3.28Å; L812-R840 HydrophobicContact CD2-CG 4.37Å
813	L	81.8	Confident	82.4	Confident	36 Å²	36	59.1 Å²	59.1	19%	0.188	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.8	179.6	-172.1	67.9	0	0	0	110.9	C804 C807 F841 C842	C804-L813 WeakPolarHBondContact O-CD1 3.41Å; C807-L813 WeakPolarHBondContact SG-CA 3.11Å; C807-L813 VanDerWaalsContact SG-CB 3.5Å; C807-L813 VanDerWaalsContact SG-CD1 3.57Å; C807-L813 PolarHBondContact SG-N 2.76Å; C807-L813 VanDerWaalsContact SG-N 3.37Å; L813-F841 HydrophobicContact CB-CB 3.82Å; L813-F841 CarbonylContact O-C 3.47Å; L813-F841 WeakPolarHBondContact O-CA 3.34Å; L813-F841 VanDerWaalsContact O-CB 3.3Å; L813-F841 WeakPolarHBondContact O-CB 3.32Å; L813-C842 PolarHBondContact O-N 2.68Å
814	E	84	Confident	82.4	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.009	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.7	177.8	-174	179.1	86.6	0	0	107.8	W816 R817 V819 C822 S823 Y826 C842	E814-W816 VanDerWaalsContact C-N 3.31Å; E814-W816 PolarHBondContact O-N 2.74Å; E814-W816 VanDerWaalsContact O-N 3.09Å; E814-R817 HydrophobicContact CB-CG 4.35Å; E814-R817 PolarHBondContact N-O 2.02Å; E814-R817 WeakPolarHBondContact O-CG 2.98Å; E814-R817 PolarHBondContact O-N 3.14Å; E814-R817 VanDerWaalsContact O-O 3.12Å; E814-R817 IonicContact OE1-CZ 3.25Å; E814-R817 VanDerWaalsContact OE1-CZ 3.25Å; E814-R817 IonicContact OE1-NE 3.01Å; E814-R817 PolarHBondContact OE1-NE 3.09Å; E814-R817 IonicContact OE1-NH2 3.81Å; E814-R817 PolarHBondContact OE1-NH2 3.22Å; E814-V819 HydrophobicContact CB-CG2 3.93Å; E814-C822 WeakPolarHBondContact OE2-CA 3.29Å; E814-S823 PolarHBondContact OE1-OG 2.8Å; E814-S823 PolarHBondContact OE2-N 2.86Å; E814-S823 PolarHBondContact OE2-OG 3.36Å; E814-Y826 HydrophobicContact CG-CD1 3.97Å; E814-Y826 HydrophobicContact CG-CE1 4.23Å; E814-Y826 HydrophobicContact CG-CG 4.23Å; E814-C842 HydrophobicContact CB-CB 3.76Å; E814-C842 HydrophobicContact CG-CB 3.85Å
815	D	81	Confident	82.3	Confident	111 Å²	111	62.6 Å²	62.6	59%	0.594	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.6	53.6	177.9	-68	-16.4	0	0	0	114.9	R817 Y826	D815-R817 VanDerWaalsContact C-N 3.28Å; D815-R817 PolarHBondContact O-N 2.74Å; D815-Y826 WeakPolarHBondContact OD2-CE1 3.48Å; D815-Y826 VanDerWaalsContact OD2-CZ 3.25Å; D815-Y826 PolarHBondContact OD2-OH 2.02Å
816	W	79.4	Confident	82.5	Confident	160 Å²	160	62.1 Å²	62.1	61%	0.606	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	5.6	-179.1	-52.4	89.8	0	0	0	116.7	E802 C804 T805 E814	E802-W816 CarbonylContact C-O 3.53Å; E802-W816 CarbonylContact O-C 3.58Å; E802-W816 WeakPolarHBondContact O-CB 3.43Å; C804-W816 WeakPolarHBondContact CA-O 3.31Å; C804-W816 WeakPolarHBondContact CB-O 3.42Å; C804-W816 PolarHBondContact N-O 2.96Å; C804-W816 CarbonylContact O-C 3.48Å; C804-W816 WeakPolarHBondContact O-CA 3.3Å; C804-W816 VanDerWaalsContact O-O 3.1Å; T805-W816 HydrophobicContact CG2-CE3 3.91Å; T805-W816 HydrophobicContact CG2-CZ3 3.56Å; E814-W816 VanDerWaalsContact C-N 3.31Å; E814-W816 PolarHBondContact O-N 2.74Å; E814-W816 VanDerWaalsContact O-N 3.09Å
817	R	85.8	Confident	82.7	Confident	96 Å²	96	59.4 Å²	59.4	36%	0.362	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.8	166.8	59.9	170.4	-174.7	-161.6	5.4	112	I801 E814 D815 V819 S823	I801-R817 VanDerWaalsContact O-CA 3.31Å; I801-R817 WeakPolarHBondContact O-CA 3.33Å; I801-R817 WeakPolarHBondContact O-CB 3.44Å; E814-R817 HydrophobicContact CB-CG 4.35Å; E814-R817 PolarHBondContact N-O 2.02Å; E814-R817 WeakPolarHBondContact O-CG 2.98Å; E814-R817 PolarHBondContact O-N 3.14Å; E814-R817 VanDerWaalsContact O-O 3.12Å; E814-R817 IonicContact OE1-CZ 3.25Å; E814-R817 VanDerWaalsContact OE1-CZ 3.25Å; E814-R817 IonicContact OE1-NE 3.01Å; E814-R817 PolarHBondContact OE1-NE 3.09Å; E814-R817 IonicContact OE1-NH2 3.81Å; E814-R817 PolarHBondContact OE1-NH2 3.22Å; D815-R817 VanDerWaalsContact C-N 3.28Å; D815-R817 PolarHBondContact O-N 2.74Å; R817-V819 HydrophobicContact CG-CG1 4.09Å; R817-S823 PolarHBondContact NH2-OG 2.75Å
818	C	87.3	Confident	82.7	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.02	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	113.3	176.4	-66.8	0	0	0	0	110.4	A792 C793 C804 C807 L812	A792-C818 HydrophobicContact CB-CB 3.93Å; A792-C818 VanDerWaalsContact O-CB 3.25Å; A792-C818 WeakPolarHBondContact O-CB 3.01Å; C793-C818 VanDerWaalsContact SG-SG 3.64Å; C804-C818 WeakPolarHBondContact CB-SG 3.41Å; C807-C818 WeakPolarHBondContact CA-SG 3.21Å; C807-C818 HydrophobicContact CB-CB 3.78Å; C807-C818 WeakPolarHBondContact CB-SG 3.25Å; C807-C818 WeakPolarHBondContact SG-CA 3.06Å; C807-C818 WeakPolarHBondContact SG-CB 3.38Å; C807-C818 CovalentContact SG-SG 2.02Å; C807-C818 PolarHBondContact SG-SG 3.27Å; L812-C818 WeakPolarHBondContact O-CA 3.49Å
819	V	85.6	Confident	82.6	Confident	26 Å²	26	62.5 Å²	62.5	16%	0.158	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	156.2	-175.2	-62.6	0	0	0	0	111	L812 E814 R817 T821	L812-V819 HydrophobicContact CB-CG2 4.39Å; L812-V819 WeakPolarHBondContact CB-O 3.47Å; L812-V819 PolarHBondContact N-O 2.83Å; L812-V819 PolarHBondContact O-N 2.85Å; E814-V819 HydrophobicContact CB-CG2 3.93Å; R817-V819 HydrophobicContact CG-CG1 4.09Å; V819-T821 WeakPolarHBondContact CG2-O 3.24Å
820	L	82.7	Confident	82.5	Confident	116 Å²	116	58.8 Å²	58.8	61%	0.607	32%	0.318	S	S	*	.	S	Bend	trans	-78.6	-32.1	179.1	-75.2	164.1	0	0	0	112.3	Y811	Y811-L820 HydrophobicContact CD1-CD2 3.86Å; Y811-L820 HydrophobicContact CD1-CG 3.99Å; Y811-L820 HydrophobicContact CE1-CD1 4.37Å; Y811-L820 HydrophobicContact CE1-CD2 3.54Å; Y811-L820 HydrophobicContact CE1-CG 3.65Å; Y811-L820 HydrophobicContact CE2-CD2 4.44Å; Y811-L820 HydrophobicContact CG-CD2 4.43Å
821	T	83.4	Confident	81.9	Confident	111 Å²	111	60 Å²	60	68%	0.681	31%	0.309	S	S	*	.	S	Bend	trans	-142.4	144.6	177.2	52.5	0	0	0	0	108.8	V819	V819-T821 WeakPolarHBondContact CG2-O 3.24Å
822	C	85.6	Confident	80.8	Confident	32 Å²	32	61 Å²	61	22%	0.216	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-63.3	141.3	-179.4	-56.1	0	0	0	0	111.8	E814 C842	E814-C822 WeakPolarHBondContact OE2-CA 3.29Å; C822-C842 WeakPolarHBondContact CA-SG 3.45Å; C822-C842 HydrophobicContact CB-CB 3.72Å; C822-C842 WeakPolarHBondContact CB-SG 3.49Å; C822-C842 VanDerWaalsContact SG-CA 3.52Å; C822-C842 WeakPolarHBondContact SG-CB 3.34Å; C822-C842 CovalentContact SG-SG 2.03Å; C822-C842 PolarHBondContact SG-SG 2.84Å
823	S	86.5	Confident	79.4	Confident	35 Å²	35	63.8 Å²	63.8	25%	0.245	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-74.1	158.6	177.5	-55.5	0	0	0	0	111.2	E814 R817 G825 Y826	E814-S823 PolarHBondContact OE1-OG 2.8Å; E814-S823 PolarHBondContact OE2-N 2.86Å; E814-S823 PolarHBondContact OE2-OG 3.36Å; R817-S823 PolarHBondContact NH2-OG 2.75Å; S823-G825 PolarHBondContact O-N 2.85Å; S823-Y826 PolarHBondContact O-N 3.37Å
824	P	79.9	Confident	78.1	Confident	87 Å²	87	70.4 Å²	70.4	57%	0.565	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	136.1	172	-25.2	34.7	0	0	0	111.4	E851	P824-E851 HydrophobicContact CB-CG 4.26Å
825	G	78.8	Confident	76.4	Confident	16 Å²	16	77.9 Å²	77.9	17%	0.165	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	2	-171.8	0	0	0	0	0	115	S823 C845 F850	S823-G825 PolarHBondContact O-N 2.85Å; G825-C845 WeakPolarHBondContact O-CB 3.32Å; G825-C845 PolarHBondContact O-N 3.2Å; G825-C845 PolarHBondContact O-SG 3.4Å; G825-F850 VanDerWaalsContact CA-O 3.22Å; G825-F850 WeakPolarHBondContact CA-O 3.4Å; G825-F850 PolarHBondContact N-O 3.45Å
826	Y	83.7	Confident	75.2	Confident	40 Å²	40	75.2 Å²	75.2	16%	0.157	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.6	174.8	-64.1	-109.4	0	0	0	110.6	E814 D815 S823 K843 K844	E814-Y826 HydrophobicContact CG-CD1 3.97Å; E814-Y826 HydrophobicContact CG-CE1 4.23Å; E814-Y826 HydrophobicContact CG-CG 4.23Å; D815-Y826 WeakPolarHBondContact OD2-CE1 3.48Å; D815-Y826 VanDerWaalsContact OD2-CZ 3.25Å; D815-Y826 PolarHBondContact OD2-OH 2.02Å; S823-Y826 PolarHBondContact O-N 3.37Å; Y826-K843 CarbonylContact C-O 3.07Å; Y826-K843 WeakPolarHBondContact CA-O 3.34Å; Y826-K843 WeakPolarHBondContact CB-O 3.42Å; Y826-K844 VanDerWaalsContact CD1-CA 3.47Å; Y826-K844 HydrophobicContact CD1-CB 3.87Å; Y826-K844 HydrophobicContact CD1-CG 4.21Å; Y826-K844 HydrophobicContact CE1-CB 3.61Å; Y826-K844 HydrophobicContact CE1-CD 4.16Å; Y826-K844 HydrophobicContact CE1-CG 3.78Å; Y826-K844 HydrophobicContact CE2-CD 4.45Å; Y826-K844 HydrophobicContact CE2-CG 4.1Å; Y826-K844 WeakPolarHBondContact OH-CD 3.03Å
827	Y	84.5	Confident	74	Confident	16 Å²	16	74.1 Å²	74.1	6%	0.063	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.2	175.8	73.8	-82.5	0	0	0	111.5	S829 C842 K843 C852 G854 P855	Y827-S829 PolarHBondContact O-N 2.78Å; Y827-C842 CarbonylContact O-C 3.07Å; Y827-C842 WeakPolarHBondContact O-CA 3.47Å; Y827-K843 HydrophobicContact CD1-CB 4.14Å; Y827-K843 WeakPolarHBondContact CD1-O 3.1Å; Y827-K843 HydrophobicContact CE1-CB 3.51Å; Y827-K843 HydrophobicContact CE2-CB 4.3Å; Y827-K843 PolarHBondContact N-O 2.01Å; Y827-K843 PolarHBondContact O-N 3.44Å; Y827-K843 VanDerWaalsContact OH-CD 3.31Å; Y827-K843 WeakPolarHBondContact OH-CD 3Å; Y827-C852 VanDerWaalsContact CB-O 3.32Å; Y827-C852 WeakPolarHBondContact CB-O 3.38Å; Y827-C852 WeakPolarHBondContact CD1-SG 3.1Å; Y827-G854 WeakPolarHBondContact CD1-O 3.41Å; Y827-G854 WeakPolarHBondContact CE1-O 3.44Å; Y827-G854 VanDerWaalsContact CZ-C 3.44Å; Y827-P855 HydrophobicContact CE1-CB 4.43Å; Y827-P855 VanDerWaalsContact CE2-CD 3.47Å; Y827-P855 HydrophobicContact CE2-CG 4.36Å; Y827-P855 VanDerWaalsContact CZ-CA 3.45Å; Y827-P855 VanDerWaalsContact OH-CA 3.29Å; Y827-P855 WeakPolarHBondContact OH-CA 3.22Å; Y827-P855 WeakPolarHBondContact OH-CB 3.37Å
828	L	82.1	Confident	72.9	Confident	86 Å²	86	73.2 Å²	73.2	45%	0.45	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.6	178.4	178.5	61.5	0	0	0	110.6	L812 R840	L812-L828 HydrophobicContact CD1-CD1 3.67Å; L812-L828 HydrophobicContact CD2-CD1 3.45Å; L812-L828 VanDerWaalsContact CD2-CD1 3.45Å; L812-L828 HydrophobicContact CG-CD1 4.11Å; L828-R840 HydrophobicContact CD1-CB 4.21Å
829	S	78.6	Confident	71.8	Confident	17 Å²	17	76.4 Å²	76.4	12%	0.119	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.9	174.9	-172.9	0	0	0	0	109.9	Y827 F841	Y827-S829 PolarHBondContact O-N 2.78Å; S829-F841 CarbonylContact C-O 3.55Å; S829-F841 WeakPolarHBondContact CA-O 3.21Å; S829-F841 PolarHBondContact N-O 3.22Å; S829-F841 PolarHBondContact O-N 2.1Å
830	E	77.9	Confident	71.3	Confident	91 Å²	91	81.7 Å²	81.7	43%	0.425	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.1	175.7	-47.1	-166.9	161.3	0	0	108.8	V838 Q839 R840	E830-V838 HydrophobicContact CB-CG1 4.03Å; E830-Q839 WeakPolarHBondContact CA-O 3.16Å; E830-R840 HydrophobicContact CG-CB 4.47Å; E830-R840 HydrophobicContact CG-CG 3.88Å; E830-R840 WeakPolarHBondContact OE1-CD 3.49Å; E830-R840 IonicContact OE1-CZ 3.78Å; E830-R840 IonicContact OE1-NE 2.88Å; E830-R840 PolarHBondContact OE1-NE 3.05Å; E830-R840 IonicContact OE1-NH2 3.87Å; E830-R840 IonicContact OE2-NE 2.68Å
831	L	63.7	Low	71.2	Confident	93 Å²	93	78.3 Å²	78.3	49%	0.487	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.3	165.6	-100.4	107.1	0	0	0	109.8	Q839 F841	L831-Q839 PolarHBondContact N-O 3.06Å; L831-Q839 PolarHBondContact O-N 3.23Å; L831-F841 HydrophobicContact CB-CE1 4.09Å; L831-F841 HydrophobicContact CD1-CE1 3.54Å; L831-F841 HydrophobicContact CD1-CZ 3.37Å; L831-F841 HydrophobicContact CG-CE1 4.44Å
832	T	60.3	Low	71.4	Confident	90 Å²	90	73.4 Å²	73.4	55%	0.552	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.5	173.1	-34.4	0	0	0	0	108.2	V838	T832-V838 HydrophobicContact CG2-CG2 3.97Å
833	S	55.3	Low	71.3	Confident	76 Å²	76	75.5 Å²	75.5	53%	0.531	41%	0.412	S	S	.	.			trans	-77.8	158.9	171.5	-71.1	0	0	0	0	110.7	N835 G836 Q837	S833-N835 PolarHBondContact O-N 2.99Å; S833-G836 PolarHBondContact O-N 3.33Å; S833-Q837 PolarHBondContact N-O 2.93Å
834	D	53.5	Low	71.2	Confident	174 Å²	174	80.1 Å²	80.1	93%	0.93	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.4	-175.2	-69.2	-30.4	0	0	0	115.5
835	N	48.5	Very low	71.3	Confident	160 Å²	160	76.6 Å²	76.6	86%	0.856	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	10.6	171.8	-75.7	-8.3	0	0	0	114.1	S833 Q837	S833-N835 PolarHBondContact O-N 2.99Å; N835-Q837 PolarHBondContact O-N 3.02Å
836	G	55.7	Low	71.5	Confident	55 Å²	55	78.5 Å²	78.5	57%	0.567	41%	0.411	S	S	*	.	S	Bend	trans	80.6	7.9	172.6	0	0	0	0	0	116.4	S833	S833-G836 PolarHBondContact O-N 3.33Å
837	Q	55.3	Low	71.2	Confident	137 Å²	137	83.3 Å²	83.3	64%	0.64	44%	0.439	S	S	*	.			trans	-85.1	126.1	174.8	-71.6	-173.3	-11.7	0	0	111.1	S833 N835	S833-Q837 PolarHBondContact N-O 2.93Å; N835-Q837 PolarHBondContact O-N 3.02Å
838	V	61.6	Low	70.9	Confident	76 Å²	76	83.2 Å²	83.2	46%	0.461	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.5	179.8	-176.7	0	0	0	0	109.3	E830 T832 R840	E830-V838 HydrophobicContact CB-CG1 4.03Å; T832-V838 HydrophobicContact CG2-CG2 3.97Å; V838-R840 HydrophobicContact CG1-CG 4.44Å
839	Q	65.3	Low	70.8	Confident	71 Å²	71	79.4 Å²	79.4	33%	0.332	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.2	177.3	-162.5	169.1	-24.8	0	0	109.7	E830 L831	E830-Q839 WeakPolarHBondContact CA-O 3.16Å; L831-Q839 PolarHBondContact N-O 3.06Å; L831-Q839 PolarHBondContact O-N 3.23Å
840	R	73.9	Confident	71.1	Confident	136 Å²	136	83.6 Å²	83.6	51%	0.513	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131	-177.6	-56.6	-174	166.2	152.4	-1.3	110.6	L812 L828 E830 V838	L812-R840 HydrophobicContact CD2-CB 3.28Å; L812-R840 HydrophobicContact CD2-CG 4.37Å; L828-R840 HydrophobicContact CD1-CB 4.21Å; E830-R840 HydrophobicContact CG-CB 4.47Å; E830-R840 HydrophobicContact CG-CG 3.88Å; E830-R840 WeakPolarHBondContact OE1-CD 3.49Å; E830-R840 IonicContact OE1-CZ 3.78Å; E830-R840 IonicContact OE1-NE 2.88Å; E830-R840 PolarHBondContact OE1-NE 3.05Å; E830-R840 IonicContact OE1-NH2 3.87Å; E830-R840 IonicContact OE2-NE 2.68Å; V838-R840 HydrophobicContact CG1-CG 4.44Å
841	F	82	Confident	71.4	Confident	46 Å²	46	83.1 Å²	83.1	20%	0.202	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	155.6	-177.5	63.1	-84.2	0	0	0	111.5	L813 S829 L831 K843	L813-F841 HydrophobicContact CB-CB 3.82Å; L813-F841 CarbonylContact O-C 3.47Å; L813-F841 WeakPolarHBondContact O-CA 3.34Å; L813-F841 VanDerWaalsContact O-CB 3.3Å; L813-F841 WeakPolarHBondContact O-CB 3.32Å; S829-F841 CarbonylContact C-O 3.55Å; S829-F841 WeakPolarHBondContact CA-O 3.21Å; S829-F841 PolarHBondContact N-O 3.22Å; S829-F841 PolarHBondContact O-N 2.1Å; L831-F841 HydrophobicContact CB-CE1 4.09Å; L831-F841 HydrophobicContact CD1-CE1 3.54Å; L831-F841 HydrophobicContact CD1-CZ 3.37Å; L831-F841 HydrophobicContact CG-CE1 4.44Å; F841-K843 HydrophobicContact CD2-CG 3.9Å; F841-K843 HydrophobicContact CE2-CD 3.92Å; F841-K843 HydrophobicContact CE2-CG 3.46Å; F841-K843 VanDerWaalsContact CE2-CG 3.46Å; F841-K843 HydrophobicContact CZ-CD 4.43Å; F841-K843 VanDerWaalsContact CZ-CE 3.4Å; F841-K843 HydrophobicContact CZ-CG 4.38Å
842	C	87	Confident	72.4	Confident	7 Å²	7	79.1 Å²	79.1	5%	0.047	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.7	-177.7	-60	0	0	0	0	109.3	L813 E814 C822 Y827	L813-C842 PolarHBondContact O-N 2.68Å; E814-C842 HydrophobicContact CB-CB 3.76Å; E814-C842 HydrophobicContact CG-CB 3.85Å; C822-C842 WeakPolarHBondContact CA-SG 3.45Å; C822-C842 HydrophobicContact CB-CB 3.72Å; C822-C842 WeakPolarHBondContact CB-SG 3.49Å; C822-C842 VanDerWaalsContact SG-CA 3.52Å; C822-C842 WeakPolarHBondContact SG-CB 3.34Å; C822-C842 CovalentContact SG-SG 2.03Å; C822-C842 PolarHBondContact SG-SG 2.84Å; Y827-C842 CarbonylContact O-C 3.07Å; Y827-C842 WeakPolarHBondContact O-CA 3.47Å
843	K	84.2	Confident	73.3	Confident	77 Å²	77	81.7 Å²	81.7	34%	0.335	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	141.5	174.4	-80.6	-171.7	177.6	179.5	0	109.8	Y826 Y827 F841	Y826-K843 CarbonylContact C-O 3.07Å; Y826-K843 WeakPolarHBondContact CA-O 3.34Å; Y826-K843 WeakPolarHBondContact CB-O 3.42Å; Y827-K843 HydrophobicContact CD1-CB 4.14Å; Y827-K843 WeakPolarHBondContact CD1-O 3.1Å; Y827-K843 HydrophobicContact CE1-CB 3.51Å; Y827-K843 HydrophobicContact CE2-CB 4.3Å; Y827-K843 PolarHBondContact N-O 2.01Å; Y827-K843 PolarHBondContact O-N 3.44Å; Y827-K843 VanDerWaalsContact OH-CD 3.31Å; Y827-K843 WeakPolarHBondContact OH-CD 3Å; F841-K843 HydrophobicContact CD2-CG 3.9Å; F841-K843 HydrophobicContact CE2-CD 3.92Å; F841-K843 HydrophobicContact CE2-CG 3.46Å; F841-K843 VanDerWaalsContact CE2-CG 3.46Å; F841-K843 HydrophobicContact CZ-CD 4.43Å; F841-K843 VanDerWaalsContact CZ-CE 3.4Å; F841-K843 HydrophobicContact CZ-CG 4.38Å
844	K	83.6	Confident	74.3	Confident	131 Å²	131	78.4 Å²	78.4	57%	0.57	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	139.9	177.7	-157	169.3	-172.3	166.3	0	110.5	Y826	Y826-K844 VanDerWaalsContact CD1-CA 3.47Å; Y826-K844 HydrophobicContact CD1-CB 3.87Å; Y826-K844 HydrophobicContact CD1-CG 4.21Å; Y826-K844 HydrophobicContact CE1-CB 3.61Å; Y826-K844 HydrophobicContact CE1-CD 4.16Å; Y826-K844 HydrophobicContact CE1-CG 3.78Å; Y826-K844 HydrophobicContact CE2-CD 4.45Å; Y826-K844 HydrophobicContact CE2-CG 4.1Å; Y826-K844 WeakPolarHBondContact OH-CD 3.03Å
845	C	82.9	Confident	75.4	Confident	13 Å²	13	74 Å²	74	9%	0.088	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-65.6	165.5	172	-63.7	0	0	0	0	111.5	G825 C849 C852	G825-C845 WeakPolarHBondContact O-CB 3.32Å; G825-C845 PolarHBondContact O-N 3.2Å; G825-C845 PolarHBondContact O-SG 3.4Å; C845-C849 HydrophobicContact CB-CB 4.31Å; C845-C852 WeakPolarHBondContact CA-SG 3.5Å; C845-C852 HydrophobicContact CB-CB 3.71Å; C845-C852 WeakPolarHBondContact CB-SG 3.48Å; C845-C852 WeakPolarHBondContact SG-CB 3.43Å; C845-C852 PolarHBondContact SG-N 2.63Å; C845-C852 CovalentContact SG-SG 2Å; C845-C852 PolarHBondContact SG-SG 3.24Å
846	D	81.8	Confident	76.6	Confident	57 Å²	57	68.2 Å²	68.2	31%	0.305	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-56.6	145.4	166.3	-172.1	-87.6	0	0	0	110.6	S848 C849	D846-S848 PolarHBondContact O-N 2.93Å; D846-S848 VanDerWaalsContact O-N 3.12Å; D846-S848 WeakPolarHBondContact OD1-CB 3.27Å; D846-S848 PolarHBondContact OD1-N 2.53Å; D846-S848 PolarHBondContact OD1-OG 3.34Å; D846-C849 WeakPolarHBondContact O-CB 3.21Å; D846-C849 PolarHBondContact O-N 2.97Å
847	N	78.6	Confident	77.3	Confident	140 Å²	140	71.2 Å²	71.2	75%	0.749	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.7	-172.1	-138.5	30.8	0	0	0	112.9	C849 N864	N847-C849 VanDerWaalsContact C-N 3.26Å; N847-C849 PolarHBondContact O-N 3.15Å; N847-N864 PolarHBondContact O-ND2 3.12Å
848	S	76.4	Confident	78.2	Confident	15 Å²	15	69.9 Å²	69.9	11%	0.105	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.3	173.8	61.1	0	0	0	0	113.8	D846 N864 C874	D846-S848 PolarHBondContact O-N 2.93Å; D846-S848 VanDerWaalsContact O-N 3.12Å; D846-S848 WeakPolarHBondContact OD1-CB 3.27Å; D846-S848 PolarHBondContact OD1-N 2.53Å; D846-S848 PolarHBondContact OD1-OG 3.34Å; S848-N864 PolarHBondContact O-N 3.29Å; S848-C874 WeakPolarHBondContact O-CB 3.01Å
849	C	81.8	Confident	79	Confident	6 Å²	6	69.6 Å²	69.6	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.4	-168.8	-52.7	0	0	0	0	112.5	C845 D846 N847 C860 N864 C874	C845-C849 HydrophobicContact CB-CB 4.31Å; D846-C849 WeakPolarHBondContact O-CB 3.21Å; D846-C849 PolarHBondContact O-N 2.97Å; N847-C849 VanDerWaalsContact C-N 3.26Å; N847-C849 PolarHBondContact O-N 3.15Å; C849-C860 HydrophobicContact CB-CB 3.52Å; C849-C860 WeakPolarHBondContact CB-SG 3.01Å; C849-C860 WeakPolarHBondContact SG-CB 3.37Å; C849-C860 CovalentContact SG-SG 1.96Å; C849-C860 PolarHBondContact SG-SG 2.78Å; C849-N864 PolarHBondContact O-ND2 3.27Å; C849-C874 PolarHBondContact SG-SG 2.81Å
850	F	83.9	Confident	79.8	Confident	105 Å²	105	66.5 Å²	66.5	46%	0.461	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-39.8	176.1	-176.3	-108.1	0	0	0	110.9	G825 S862 N864	G825-F850 VanDerWaalsContact CA-O 3.22Å; G825-F850 WeakPolarHBondContact CA-O 3.4Å; G825-F850 PolarHBondContact N-O 3.45Å; F850-S862 PolarHBondContact N-O 3.33Å; F850-N864 WeakPolarHBondContact CA-OD1 2.93Å; F850-N864 VanDerWaalsContact CB-OD1 3.29Å; F850-N864 WeakPolarHBondContact CB-OD1 3.49Å; F850-N864 WeakPolarHBondContact CD2-OD1 3.31Å
851	E	83.4	Confident	80.2	Confident	81 Å²	81	62.2 Å²	62.2	38%	0.379	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.4	168.5	-63.2	175.4	162.5	0	0	109.6	P824 C860 S861 S862	P824-E851 HydrophobicContact CB-CG 4.26Å; E851-C860 CarbonylContact O-C 3.57Å; E851-C860 WeakPolarHBondContact O-CA 3.33Å; E851-S861 WeakPolarHBondContact CB-OG 3.18Å; E851-S861 PolarHBondContact O-N 3.14Å; E851-S861 PolarHBondContact O-OG 3.5Å; E851-S862 VanDerWaalsContact CB-OG 3.31Å; E851-S862 WeakPolarHBondContact CB-OG 3.34Å; E851-S862 WeakPolarHBondContact CG-OG 3.48Å; E851-S862 PolarHBondContact N-O 1.98Å; E851-S862 PolarHBondContact N-OG 2.68Å; E851-S862 PolarHBondContact O-N 2.82Å
852	C	84.9	Confident	80.3	Confident	8 Å²	8	61.6 Å²	61.6	5%	0.054	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.6	177.2	75.8	0	0	0	0	110.9	Y827 C845 N859 S861	Y827-C852 VanDerWaalsContact CB-O 3.32Å; Y827-C852 WeakPolarHBondContact CB-O 3.38Å; Y827-C852 WeakPolarHBondContact CD1-SG 3.1Å; C845-C852 WeakPolarHBondContact CA-SG 3.5Å; C845-C852 HydrophobicContact CB-CB 3.71Å; C845-C852 WeakPolarHBondContact CB-SG 3.48Å; C845-C852 WeakPolarHBondContact SG-CB 3.43Å; C845-C852 PolarHBondContact SG-N 2.63Å; C845-C852 CovalentContact SG-SG 2Å; C845-C852 PolarHBondContact SG-SG 3.24Å; C852-N859 CarbonylContact C-O 3.59Å; C852-N859 WeakPolarHBondContact CA-O 2.92Å; C852-N859 WeakPolarHBondContact CB-O 3.5Å; C852-S861 PolarHBondContact N-OG 2.8Å
853	L	80.9	Confident	80.1	Confident	144 Å²	144	62.6 Å²	62.6	75%	0.754	34%	0.339	S	S	*	.	S	Bend	trans	-108.1	-5.7	-179.2	-62.4	172.9	0	0	0	112.4	N859	L853-N859 PolarHBondContact N-O 2.84Å
854	G	75.5	Confident	79.8	Confident	7 Å²	7	61.6 Å²	61.6	7%	0.072	34%	0.338	C	S	.	.	S	Bend	trans	-167.6	175.2	-169.2	0	0	0	0	0	113.7	Y827 N859	Y827-G854 WeakPolarHBondContact CD1-O 3.41Å; Y827-G854 WeakPolarHBondContact CE1-O 3.44Å; Y827-G854 VanDerWaalsContact CZ-C 3.44Å; G854-N859 VanDerWaalsContact C-CB 3.42Å; G854-N859 VanDerWaalsContact O-CB 3.29Å; G854-N859 WeakPolarHBondContact O-CB 3.19Å
855	P	76.1	Confident	79.3	Confident	81 Å²	81	61.6 Å²	61.6	53%	0.526	35%	0.354	S	S	.	.	S	Bend	trans	-69.3	148.2	-179.7	17.3	-20.2	0	0	0	113.2	Y827 N859	Y827-P855 HydrophobicContact CE1-CB 4.43Å; Y827-P855 VanDerWaalsContact CE2-CD 3.47Å; Y827-P855 HydrophobicContact CE2-CG 4.36Å; Y827-P855 VanDerWaalsContact CZ-CA 3.45Å; Y827-P855 VanDerWaalsContact OH-CA 3.29Å; Y827-P855 WeakPolarHBondContact OH-CA 3.22Å; Y827-P855 WeakPolarHBondContact OH-CB 3.37Å; P855-N859 PolarHBondContact O-ND2 1.96Å
856	G	73.5	Confident	78.4	Confident	40 Å²	40	63.9 Å²	63.9	41%	0.412	38%	0.38	S	S	.	.	S	Bend	trans	81.8	170.6	169.4	0	0	0	0	0	113.7	L858 N859	G856-L858 PolarHBondContact O-N 3.31Å; G856-L858 VanDerWaalsContact O-N 3.16Å; G856-N859 PolarHBondContact O-N 3.43Å
857	E	71.6	Confident	77.8	Confident	118 Å²	118	65.7 Å²	65.7	55%	0.551	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-59.2	-25.9	-174.7	60.6	-165.9	165.4	0	0	113.7	N859 C860 G872 T873	E857-N859 PolarHBondContact O-N 2Å; E857-C860 PolarHBondContact O-SG 3.31Å; E857-G872 VanDerWaalsContact O-O 3.08Å; E857-T873 HydrophobicContact CB-CG2 4.03Å; E857-T873 HydrophobicContact CG-CG2 4.14Å; E857-T873 WeakPolarHBondContact O-CA 3.32Å; E857-T873 WeakPolarHBondContact O-CG2 3.25Å
858	L	73.3	Confident	77.5	Confident	108 Å²	108	63.6 Å²	63.6	57%	0.565	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-83.3	-2.5	-174.7	-74.4	152.3	0	0	0	116.1	G856 G872 T873	G856-L858 PolarHBondContact O-N 3.31Å; G856-L858 VanDerWaalsContact O-N 3.16Å; L858-G872 VanDerWaalsContact C-C 3.4Å; L858-G872 CarbonylContact C-O 3.51Å; L858-G872 WeakPolarHBondContact CA-O 2.96Å; L858-G872 CarbonylContact O-C 3.57Å; L858-G872 VanDerWaalsContact O-CA 3.26Å; L858-G872 WeakPolarHBondContact O-CA 3.32Å; L858-T873 WeakPolarHBondContact CA-OG1 2.98Å; L858-T873 WeakPolarHBondContact CD2-OG1 3.43Å
859	N	79.4	Confident	77.3	Confident	70 Å²	70	66.5 Å²	66.5	37%	0.374	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-113.7	22.1	-171.3	-80.2	-57.7	0	0	0	114.2	C852 L853 G854 P855 G856 E857 G872	C852-N859 CarbonylContact C-O 3.59Å; C852-N859 WeakPolarHBondContact CA-O 2.92Å; C852-N859 WeakPolarHBondContact CB-O 3.5Å; L853-N859 PolarHBondContact N-O 2.84Å; G854-N859 VanDerWaalsContact C-CB 3.42Å; G854-N859 VanDerWaalsContact O-CB 3.29Å; G854-N859 WeakPolarHBondContact O-CB 3.19Å; P855-N859 PolarHBondContact O-ND2 1.96Å; G856-N859 PolarHBondContact O-N 3.43Å; E857-N859 PolarHBondContact O-N 2Å; N859-G872 PolarHBondContact N-O 2.82Å; N859-G872 VanDerWaalsContact N-O 3.14Å
860	C	81	Confident	76.7	Confident	6 Å²	6	72.3 Å²	72.3	4%	0.041	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.4	-177.7	-52.4	0	0	0	0	110.7	C849 E851 E857 L869 G872 C874	C849-C860 HydrophobicContact CB-CB 3.52Å; C849-C860 WeakPolarHBondContact CB-SG 3.01Å; C849-C860 WeakPolarHBondContact SG-CB 3.37Å; C849-C860 CovalentContact SG-SG 1.96Å; C849-C860 PolarHBondContact SG-SG 2.78Å; E851-C860 CarbonylContact O-C 3.57Å; E851-C860 WeakPolarHBondContact O-CA 3.33Å; E857-C860 PolarHBondContact O-SG 3.31Å; C860-L869 HydrophobicContact CB-CD1 3.68Å; C860-L869 WeakPolarHBondContact O-CD1 3Å; C860-G872 WeakPolarHBondContact CA-O 3.01Å; C860-G872 VanDerWaalsContact CB-O 3.22Å; C860-G872 WeakPolarHBondContact CB-O 3.02Å; C860-G872 PolarHBondContact N-O 3.49Å; C860-G872 WeakPolarHBondContact O-CA 3.38Å; C860-C874 VanDerWaalsContact CB-SG 3.5Å
861	S	82.9	Confident	75.8	Confident	47 Å²	47	72.1 Å²	72.1	33%	0.329	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-24.2	175.6	51.6	0	0	0	0	111.3	E851 C852 L869	E851-S861 WeakPolarHBondContact CB-OG 3.18Å; E851-S861 PolarHBondContact O-N 3.14Å; E851-S861 PolarHBondContact O-OG 3.5Å; C852-S861 PolarHBondContact N-OG 2.8Å; S861-L869 VanDerWaalsContact O-CD2 3.3Å; S861-L869 WeakPolarHBondContact O-CD2 3.26Å
862	S	84.6	Confident	75.1	Confident	33 Å²	33	69.1 Å²	69.1	23%	0.231	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	154.2	169.6	65.1	0	0	0	0	110.6	F850 E851	F850-S862 PolarHBondContact N-O 3.33Å; E851-S862 VanDerWaalsContact CB-OG 3.31Å; E851-S862 WeakPolarHBondContact CB-OG 3.34Å; E851-S862 WeakPolarHBondContact CG-OG 3.48Å; E851-S862 PolarHBondContact N-O 1.98Å; E851-S862 PolarHBondContact N-OG 2.68Å; E851-S862 PolarHBondContact O-N 2.82Å
863	C	82.6	Confident	74.7	Confident	28 Å²	28	69.7 Å²	69.7	19%	0.189	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.4	-171.6	-60	0	0	0	0	112.9	Y867 L869 C874	C863-Y867 WeakPolarHBondContact CB-O 3.18Å; C863-L869 VanDerWaalsContact SG-CA 3.59Å; C863-L869 VanDerWaalsContact SG-CB 3.58Å; C863-L869 VanDerWaalsContact SG-CD1 3.51Å; C863-C874 WeakPolarHBondContact CA-SG 3.5Å; C863-C874 HydrophobicContact CB-CB 3.76Å; C863-C874 WeakPolarHBondContact CB-SG 3.22Å; C863-C874 WeakPolarHBondContact SG-CA 3.5Å; C863-C874 WeakPolarHBondContact SG-CB 3.39Å; C863-C874 CovalentContact SG-SG 2.02Å; C863-C874 PolarHBondContact SG-SG 2.79Å
864	N	76.3	Confident	74.6	Confident	56 Å²	56	63.1 Å²	63.1	30%	0.299	39%	0.39	S	S	.	.			trans	-64.4	149.6	170.9	-74.6	-36	0	0	0	109.9	N847 S848 C849 F850 G866 Y867	N847-N864 PolarHBondContact O-ND2 3.12Å; S848-N864 PolarHBondContact O-N 3.29Å; C849-N864 PolarHBondContact O-ND2 3.27Å; F850-N864 WeakPolarHBondContact CA-OD1 2.93Å; F850-N864 VanDerWaalsContact CB-OD1 3.29Å; F850-N864 WeakPolarHBondContact CB-OD1 3.49Å; F850-N864 WeakPolarHBondContact CD2-OD1 3.31Å; N864-G866 PolarHBondContact O-N 3.39Å; N864-G866 VanDerWaalsContact O-N 3.12Å; N864-Y867 PolarHBondContact O-N 2.88Å
865	S	73.8	Confident	74.4	Confident	131 Å²	131	65.2 Å²	65.2	92%	0.916	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	119.2	-175.9	-63.9	0	0	0	0	112.2
866	G	64.1	Low	73.7	Confident	61 Å²	61	65.4 Å²	65.4	63%	0.629	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.6	-6.5	-178.9	0	0	0	0	0	115.9	N864	N864-G866 PolarHBondContact O-N 3.39Å; N864-G866 VanDerWaalsContact O-N 3.12Å
867	Y	70.2	Confident	73	Confident	95 Å²	95	66.4 Å²	66.4	37%	0.373	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.8	-180	-66.7	-101.8	0	0	0	111.1	C863 N864 C874 V876	C863-Y867 WeakPolarHBondContact CB-O 3.18Å; N864-Y867 PolarHBondContact O-N 2.88Å; Y867-C874 HydrophobicContact CD1-CB 4.43Å; Y867-C874 VanDerWaalsContact CD1-O 3.27Å; Y867-C874 WeakPolarHBondContact CD1-O 3.38Å; Y867-C874 HydrophobicContact CG-CB 4.44Å; Y867-V876 HydrophobicContact CD1-CG2 4.04Å; Y867-V876 HydrophobicContact CE1-CB 4.48Å; Y867-V876 HydrophobicContact CE1-CG2 3.46Å; Y867-V876 VanDerWaalsContact CE1-CG2 3.46Å
868	N	71.5	Confident	72.2	Confident	96 Å²	96	66.6 Å²	66.6	51%	0.513	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141	173.4	-77.7	-28	0	0	0	110.1	E870 V875	N868-E870 PolarHBondContact O-N 2.79Å; N868-V875 PolarHBondContact N-O 2.81Å; N868-V875 VanDerWaalsContact N-O 3.15Å; N868-V875 PolarHBondContact O-N 3.41Å; N868-V875 VanDerWaalsContact O-N 3.1Å
869	L	72.4	Confident	71.2	Confident	76 Å²	76	67.3 Å²	67.3	40%	0.398	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	108.5	179.2	-168.2	72.9	0	0	0	110.4	C860 S861 C863 T873	C860-L869 HydrophobicContact CB-CD1 3.68Å; C860-L869 WeakPolarHBondContact O-CD1 3Å; S861-L869 VanDerWaalsContact O-CD2 3.3Å; S861-L869 WeakPolarHBondContact O-CD2 3.26Å; C863-L869 VanDerWaalsContact SG-CA 3.59Å; C863-L869 VanDerWaalsContact SG-CB 3.58Å; C863-L869 VanDerWaalsContact SG-CD1 3.51Å; L869-T873 WeakPolarHBondContact CA-O 3.4Å
870	E	68.5	Low	69.9	Low	128 Å²	128	69.6 Å²	69.6	60%	0.598	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.5	172.9	-70.3	-170.3	166.3	0	0	110.4	N868 G872 T873 V875	N868-E870 PolarHBondContact O-N 2.79Å; E870-G872 PolarHBondContact O-N 2.88Å; E870-G872 VanDerWaalsContact O-N 3.15Å; E870-T873 PolarHBondContact N-O 2.03Å; E870-T873 WeakPolarHBondContact O-CA 3.42Å; E870-T873 WeakPolarHBondContact O-CB 3.2Å; E870-T873 PolarHBondContact O-N 3.41Å; E870-V875 HydrophobicContact CB-CG2 3.86Å; E870-V875 HydrophobicContact CG-CG2 4.05Å
871	A	65.3	Low	68	Low	101 Å²	101	78.7 Å²	78.7	84%	0.835	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	41.3	-178.9	0	0	0	0	0	114.2	T873	A871-T873 VanDerWaalsContact C-N 3.26Å; A871-T873 PolarHBondContact O-N 2.94Å
872	G	69.7	Low	66.1	Low	18 Å²	18	83.4 Å²	83.4	19%	0.186	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	1.8	-178.8	0	0	0	0	0	113.8	E857 L858 N859 C860 E870	E857-G872 VanDerWaalsContact O-O 3.08Å; L858-G872 VanDerWaalsContact C-C 3.4Å; L858-G872 CarbonylContact C-O 3.51Å; L858-G872 WeakPolarHBondContact CA-O 2.96Å; L858-G872 CarbonylContact O-C 3.57Å; L858-G872 VanDerWaalsContact O-CA 3.26Å; L858-G872 WeakPolarHBondContact O-CA 3.32Å; N859-G872 PolarHBondContact N-O 2.82Å; N859-G872 VanDerWaalsContact N-O 3.14Å; C860-G872 WeakPolarHBondContact CA-O 3.01Å; C860-G872 VanDerWaalsContact CB-O 3.22Å; C860-G872 WeakPolarHBondContact CB-O 3.02Å; C860-G872 PolarHBondContact N-O 3.49Å; C860-G872 WeakPolarHBondContact O-CA 3.38Å; E870-G872 PolarHBondContact O-N 2.88Å; E870-G872 VanDerWaalsContact O-N 3.15Å
873	T	75.9	Confident	64	Low	19 Å²	19	86.1 Å²	86.1	12%	0.117	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.3	176.8	-40.3	0	0	0	0	111.7	E857 L858 L869 E870 A871 V875	E857-T873 HydrophobicContact CB-CG2 4.03Å; E857-T873 HydrophobicContact CG-CG2 4.14Å; E857-T873 WeakPolarHBondContact O-CA 3.32Å; E857-T873 WeakPolarHBondContact O-CG2 3.25Å; L858-T873 WeakPolarHBondContact CA-OG1 2.98Å; L858-T873 WeakPolarHBondContact CD2-OG1 3.43Å; L869-T873 WeakPolarHBondContact CA-O 3.4Å; E870-T873 PolarHBondContact N-O 2.03Å; E870-T873 WeakPolarHBondContact O-CA 3.42Å; E870-T873 WeakPolarHBondContact O-CB 3.2Å; E870-T873 PolarHBondContact O-N 3.41Å; A871-T873 VanDerWaalsContact C-N 3.26Å; A871-T873 PolarHBondContact O-N 2.94Å; T873-V875 VanDerWaalsContact C-N 3.32Å; T873-V875 HydrophobicContact CG2-CG1 3.77Å; T873-V875 PolarHBondContact O-N 3.05Å; T873-V875 VanDerWaalsContact O-N 3.07Å
874	C	77.4	Confident	62	Low	6 Å²	6	91.4 Å²	91.4	4%	0.041	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.8	87	169.3	-67	0	0	0	0	108.7	S848 C849 C860 C863 Y867	S848-C874 WeakPolarHBondContact O-CB 3.01Å; C849-C874 PolarHBondContact SG-SG 2.81Å; C860-C874 VanDerWaalsContact CB-SG 3.5Å; C863-C874 WeakPolarHBondContact CA-SG 3.5Å; C863-C874 HydrophobicContact CB-CB 3.76Å; C863-C874 WeakPolarHBondContact CB-SG 3.22Å; C863-C874 WeakPolarHBondContact SG-CA 3.5Å; C863-C874 WeakPolarHBondContact SG-CB 3.39Å; C863-C874 CovalentContact SG-SG 2.02Å; C863-C874 PolarHBondContact SG-SG 2.79Å; Y867-C874 HydrophobicContact CD1-CB 4.43Å; Y867-C874 VanDerWaalsContact CD1-O 3.27Å; Y867-C874 WeakPolarHBondContact CD1-O 3.38Å; Y867-C874 HydrophobicContact CG-CB 4.44Å
875	V	72.1	Confident	60.5	Low	51 Å²	51	95.8 Å²	95.8	31%	0.309	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.6	141.9	-179.9	-76	0	0	0	0	110.4	N868 E870 T873 S877	N868-V875 PolarHBondContact N-O 2.81Å; N868-V875 VanDerWaalsContact N-O 3.15Å; N868-V875 PolarHBondContact O-N 3.41Å; N868-V875 VanDerWaalsContact O-N 3.1Å; E870-V875 HydrophobicContact CB-CG2 3.86Å; E870-V875 HydrophobicContact CG-CG2 4.05Å; T873-V875 VanDerWaalsContact C-N 3.32Å; T873-V875 HydrophobicContact CG2-CG1 3.77Å; T873-V875 PolarHBondContact O-N 3.05Å; T873-V875 VanDerWaalsContact O-N 3.07Å; V875-S877 PolarHBondContact O-N 3.02Å
876	V	61.5	Low	59	Low	85 Å²	85	98.9 Å²	98.9	52%	0.515	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60.9	112.3	172.3	-177.4	0	0	0	0	106.5	Y867 T878	Y867-V876 HydrophobicContact CD1-CG2 4.04Å; Y867-V876 HydrophobicContact CE1-CB 4.48Å; Y867-V876 HydrophobicContact CE1-CG2 3.46Å; Y867-V876 VanDerWaalsContact CE1-CG2 3.46Å; V876-T878 HydrophobicContact CG1-CG2 4.26Å; V876-T878 PolarHBondContact O-N 3.15Å; V876-T878 PolarHBondContact O-OG1 3.07Å; V876-T878 VanDerWaalsContact O-OG1 3.05Å
877	S	58.3	Low	57.9	Low	61 Å²	61	101.6 Å²	101.6	43%	0.427	58%	0.579	S	S	.	*			trans	-53.1	101.5	-176.8	51.2	0	0	0	0	111.1	V875	V875-S877 PolarHBondContact O-N 3.02Å
878	T	56.6	Low	56.9	Low	122 Å²	122	108 Å²	108	75%	0.748	60%	0.603	S	S	*	*			trans	-144.2	85.5	178.9	48.3	0	0	0	0	111.7	V876	V876-T878 HydrophobicContact CG1-CG2 4.26Å; V876-T878 PolarHBondContact O-N 3.15Å; V876-T878 PolarHBondContact O-OG1 3.07Å; V876-T878 VanDerWaalsContact O-OG1 3.05Å
879	V	52.2	Low	55.5	Low	123 Å²	123	108 Å²	108	75%	0.745	62%	0.616	S	S	*	*			cis	-165	146.1	-0.6	178.6	0	0	0	0	106.3
880	C	50.9	Low	54.2	Low	119 Å²	119	113 Å²	113	80%	0.804	64%	0.637	S	S	*	*			trans	35.7	115.7	161.3	-64.8	0	0	0	0	123
881	K	42.2	Very low	53.3	Low	196 Å²	196	110.1 Å²	110.1	85%	0.852	64%	0.642	S	S	*	*			trans	41.7	129.5	148.5	-85.5	-174.7	176	-179.3	0	123
882	D	42	Very low	52.7	Low	147 Å²	147	107 Å²	107	79%	0.786	62%	0.62	S	S	*	*			trans	90.3	110.3	146.2	-61.2	-26.3	0	0	0	123.7
883	A	41.3	Very low	51.9	Low	90 Å²	90	111 Å²	111	74%	0.744	63%	0.632	S	S	*	*				51.1	134.6	128.9	0	0	0	0	0	126.3
884	N	40.3	Very low	50.8	Low	138 Å²	138	112 Å²	112	74%	0.738	64%	0.64	S	S	*	*				125.8	141.9	121.2	-91.2	11.9	0	0	0	124.5
885	E	44.5	Very low	49.7	Very low	148 Å²	148	116.8 Å²	116.8	69%	0.692	67%	0.669	S	S	*	*			trans	91.5	-21.7	130.8	-83.9	177.8	176.6	0	0	128.9
886	E	41.5	Very low	48.8	Very low	197 Å²	197	119 Å²	119	92%	0.921	68%	0.678	S	S	*	*	S	Bend	trans	-110.1	6.9	-167.6	-101.9	-176.7	174.7	0	0	120.2
887	S	41.8	Very low	48.6	Very low	117 Å²	117	115.4 Å²	115.4	82%	0.818	66%	0.657	S	S	*	*			trans	-117.2	36.2	178.9	58.3	0	0	0	0	114.7	A889	S887-A889 VanDerWaalsContact C-N 3.29Å; S887-A889 PolarHBondContact O-N 3.1Å
888	W	48.9	Very low	48.5	Very low	230 Å²	230	120.6 Å²	120.6	87%	0.871	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	17.5	174.4	-77.6	76.4	0	0	0	115.4
889	A	43	Very low	48.5	Very low	95 Å²	95	123.6 Å²	123.6	79%	0.785	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	3	-169.8	0	0	0	0	0	116.1	S887	S887-A889 VanDerWaalsContact C-N 3.29Å; S887-A889 PolarHBondContact O-N 3.1Å
890	E	44.5	Very low	48.6	Very low	181 Å²	181	122.4 Å²	122.4	85%	0.846	66%	0.664	S	S	*	*	S	Bend	trans	-111.5	82.2	174.2	-75.7	-167.3	166.6	0	0	111.2	G892	E890-G892 WeakPolarHBondContact O-CA 2.96Å; E890-G892 PolarHBondContact O-N 3.18Å
891	G	48.6	Very low	48.7	Very low	68 Å²	68	121.5 Å²	121.5	70%	0.701	65%	0.651	S	S	*	*			trans	43.9	33.5	148.8	0	0	0	0	0	116.3
892	G	53.6	Low	49.4	Very low	37 Å²	37	114.3 Å²	114.3	38%	0.381	62%	0.621	S	S	.	*			trans	-71.6	141.5	-156.2	0	0	0	0	0	110.6	E890 C894 V895	E890-G892 WeakPolarHBondContact O-CA 2.96Å; E890-G892 PolarHBondContact O-N 3.18Å; G892-C894 PolarHBondContact O-N 3.02Å; G892-V895 PolarHBondContact O-N 3.49Å
893	F	51.8	Low	50.3	Low	100 Å²	100	109.1 Å²	109.1	44%	0.439	60%	0.596	S	S	.	*	H	α-helix	trans	-38.4	-42.1	-175.2	-166.6	-99.5	0	0	0	115	V895 V897 L911 T915	F893-V895 PolarHBondContact O-N 2.87Å; F893-V897 HydrophobicContact CD1-CG2 4.03Å; F893-V897 HydrophobicContact CE1-CG2 4.22Å; F893-V897 HydrophobicContact CG-CG2 4.46Å; F893-V897 VanDerWaalsContact O-CB 3.24Å; F893-V897 WeakPolarHBondContact O-CB 3.28Å; F893-V897 WeakPolarHBondContact O-CG2 3.22Å; F893-V897 PolarHBondContact O-N 2.84Å; F893-V897 VanDerWaalsContact O-N 3.16Å; F893-L911 HydrophobicContact CE1-CD1 4.43Å; F893-L911 HydrophobicContact CE1-CD2 4.02Å; F893-L911 HydrophobicContact CE1-CG 3.68Å; F893-L911 HydrophobicContact CE2-CD2 3.95Å; F893-L911 HydrophobicContact CE2-CG 4.3Å; F893-L911 HydrophobicContact CZ-CD1 3.71Å; F893-L911 HydrophobicContact CZ-CD2 3.34Å; F893-L911 HydrophobicContact CZ-CG 3.26Å; F893-T915 HydrophobicContact CD1-CG2 3.53Å; F893-T915 WeakPolarHBondContact CD1-OG1 3.36Å; F893-T915 HydrophobicContact CE1-CG2 3.81Å; F893-T915 WeakPolarHBondContact CE1-OG1 3.5Å; F893-T915 HydrophobicContact CG-CG2 4.36Å
894	C	52.8	Low	50.9	Low	42 Å²	42	112.3 Å²	112.3	28%	0.284	60%	0.596	S	S	.	*	H	α-helix	trans	-62.7	-32.6	179.1	-84.9	0	0	0	0	114	G892 K898 T915 C916	G892-C894 PolarHBondContact O-N 3.02Å; C894-K898 PolarHBondContact O-N 3.18Å; C894-T915 PolarHBondContact SG-O 2.87Å; C894-C916 WeakPolarHBondContact CB-SG 3.29Å; C894-C916 WeakPolarHBondContact SG-CB 3.35Å; C894-C916 CovalentContact SG-SG 2.1Å; C894-C916 PolarHBondContact SG-SG 3.18Å
895	V	54.3	Low	51.6	Low	105 Å²	105	114.4 Å²	114.4	64%	0.636	59%	0.593	S	S	*	*	H	α-helix	trans	-77.3	-40.5	-177.5	179.7	0	0	0	0	111.7	G892 F893 K898 K899	G892-V895 PolarHBondContact O-N 3.49Å; F893-V895 PolarHBondContact O-N 2.87Å; V895-K898 PolarHBondContact O-N 3.18Å; V895-K899 PolarHBondContact O-N 3.37Å
896	L	53.3	Low	52	Low	97 Å²	97	118.8 Å²	118.8	51%	0.508	60%	0.604	S	S	.	*	H	α-helix	trans	-67.8	-37.2	178.7	-128.8	148.7	0	0	0	111.6	N900	L896-N900 PolarHBondContact O-N 2.02Å
897	V	57.7	Low	52.6	Low	11 Å²	11	116 Å²	116	7%	0.067	60%	0.6	C	S	.	*	H	α-helix	trans	-63	-39.5	175	163.5	0	0	0	0	112.6	F893 L902 C903 C912	F893-V897 HydrophobicContact CD1-CG2 4.03Å; F893-V897 HydrophobicContact CE1-CG2 4.22Å; F893-V897 HydrophobicContact CG-CG2 4.46Å; F893-V897 VanDerWaalsContact O-CB 3.24Å; F893-V897 WeakPolarHBondContact O-CB 3.28Å; F893-V897 WeakPolarHBondContact O-CG2 3.22Å; F893-V897 PolarHBondContact O-N 2.84Å; F893-V897 VanDerWaalsContact O-N 3.16Å; V897-L902 PolarHBondContact O-N 3.05Å; V897-L902 VanDerWaalsContact O-N 3.13Å; V897-C903 WeakPolarHBondContact CG1-SG 3.48Å; V897-C912 HydrophobicContact CG1-CB 4.01Å; V897-C912 WeakPolarHBondContact CG1-SG 3.21Å
898	K	55.6	Low	53.1	Low	169 Å²	169	113 Å²	113	74%	0.735	57%	0.574	S	S	*	*	H	α-helix	trans	-74.2	-43.5	179.1	-155.5	177.9	-173.6	178.4	0	112.5	C894 V895 N900 N901	C894-K898 PolarHBondContact O-N 3.18Å; V895-K898 PolarHBondContact O-N 3.18Å; K898-N900 PolarHBondContact O-N 3.24Å; K898-N901 PolarHBondContact O-N 3.18Å; K898-N901 PolarHBondContact O-OD1 2.8Å
899	K	56.5	Low	53.3	Low	186 Å²	186	107.9 Å²	107.9	81%	0.809	56%	0.56	S	S	*	*	H	α-helix	trans	-69.4	-34	-174.3	-148.2	-179.1	-172.7	-179.4	0	113.6	V895 N901	V895-K899 PolarHBondContact O-N 3.37Å; K899-N901 VanDerWaalsContact C-N 3.32Å
900	N	55.1	Low	53.7	Low	97 Å²	97	112 Å²	112	52%	0.519	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	9	178.1	-76.4	-44.7	0	0	0	113.2	L896 K898 L902	L896-N900 PolarHBondContact O-N 2.02Å; K898-N900 PolarHBondContact O-N 3.24Å; N900-L902 HydrophobicContact CB-CD1 3.73Å; N900-L902 HydrophobicContact CB-CD2 3.96Å; N900-L902 HydrophobicContact CB-CG 3.49Å; N900-L902 VanDerWaalsContact CB-CG 3.49Å; N900-L902 PolarHBondContact O-N 3.4Å
901	N	53.5	Low	54.1	Low	101 Å²	101	107 Å²	107	54%	0.54	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.8	37.3	-174.3	-81.6	-22.3	0	0	0	112.2	K898 K899 C903 Q904	K898-N901 PolarHBondContact O-N 3.18Å; K898-N901 PolarHBondContact O-OD1 2.8Å; K899-N901 VanDerWaalsContact C-N 3.32Å; N901-C903 PolarHBondContact O-N 3.41Å; N901-Q904 PolarHBondContact O-N 2.92Å; N901-Q904 VanDerWaalsContact O-N 3.11Å
902	L	57.4	Low	54.3	Low	44 Å²	44	104.9 Å²	104.9	23%	0.23	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-64.6	-28.8	-170.5	-70.2	166.6	0	0	0	110.4	V897 N900 Q904 L908	V897-L902 PolarHBondContact O-N 3.05Å; V897-L902 VanDerWaalsContact O-N 3.13Å; N900-L902 HydrophobicContact CB-CD1 3.73Å; N900-L902 HydrophobicContact CB-CD2 3.96Å; N900-L902 HydrophobicContact CB-CG 3.49Å; N900-L902 VanDerWaalsContact CB-CG 3.49Å; N900-L902 PolarHBondContact O-N 3.4Å; L902-Q904 VanDerWaalsContact C-N 3.26Å; L902-Q904 PolarHBondContact O-N 3.05Å; L902-L908 HydrophobicContact CB-CB 4.31Å; L902-L908 HydrophobicContact CB-CD1 4.05Å; L902-L908 HydrophobicContact CD2-CD1 3.48Å; L902-L908 VanDerWaalsContact CD2-CD1 3.48Å; L902-L908 HydrophobicContact CG-CD1 4.29Å; L902-L908 WeakPolarHBondContact O-CB 3.16Å
903	C	60.8	Low	54.2	Low	39 Å²	39	108.4 Å²	108.4	26%	0.264	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-66.3	-14.8	176.7	-39.7	0	0	0	0	115.6	V897 N901 Q909 C912	V897-C903 WeakPolarHBondContact CG1-SG 3.48Å; N901-C903 PolarHBondContact O-N 3.41Å; C903-Q909 WeakPolarHBondContact O-CB 3.4Å; C903-Q909 WeakPolarHBondContact O-CG 3.3Å; C903-C912 VanDerWaalsContact CA-SG 3.53Å; C903-C912 HydrophobicContact CB-CB 4.01Å; C903-C912 WeakPolarHBondContact CB-SG 3.49Å; C903-C912 WeakPolarHBondContact SG-CB 3.31Å; C903-C912 CovalentContact SG-SG 2.01Å; C903-C912 PolarHBondContact SG-SG 2.81Å
904	Q	53.8	Low	54.1	Low	157 Å²	157	114.9 Å²	114.9	73%	0.734	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-95	-26.1	-175.3	-82	-167.8	-16.2	0	0	114.9	N901 L902 R906	N901-Q904 PolarHBondContact O-N 2.92Å; N901-Q904 VanDerWaalsContact O-N 3.11Å; L902-Q904 VanDerWaalsContact C-N 3.26Å; L902-Q904 PolarHBondContact O-N 3.05Å; Q904-R906 PolarHBondContact O-N 2.66Å
905	R	54.6	Low	54.1	Low	181 Å²	181	115.9 Å²	115.9	68%	0.683	56%	0.56	S	S	*	*	S	Bend	trans	-71.1	127.8	171.2	-65.1	-177.3	176.7	-167.6	-0.6	106.5	V907 L908	R905-V907 PolarHBondContact O-N 2.8Å; R905-L908 PolarHBondContact O-N 3.01Å
906	R	53.4	Low	53.6	Low	241 Å²	241	114.7 Å²	114.7	91%	0.909	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.2	-23.3	-173.7	-95.3	-175.6	175.2	179.9	-1.4	115.1	Q904	Q904-R906 PolarHBondContact O-N 2.66Å
907	V	52.6	Low	53.1	Low	138 Å²	138	115.6 Å²	115.6	84%	0.836	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-11.5	-175.3	-159.4	0	0	0	0	113.8	R905	R905-V907 PolarHBondContact O-N 2.8Å
908	L	53.8	Low	52.2	Low	54 Å²	54	123.5 Å²	123.5	28%	0.283	61%	0.606	S	S	.	*	S	Bend	trans	-132.1	9.1	-166.8	-79.4	161.5	0	0	0	115.1	L902 R905 L911	L902-L908 HydrophobicContact CB-CB 4.31Å; L902-L908 HydrophobicContact CB-CD1 4.05Å; L902-L908 HydrophobicContact CD2-CD1 3.48Å; L902-L908 VanDerWaalsContact CD2-CD1 3.48Å; L902-L908 HydrophobicContact CG-CD1 4.29Å; L902-L908 WeakPolarHBondContact O-CB 3.16Å; R905-L908 PolarHBondContact O-N 3.01Å; L908-L911 HydrophobicContact CD2-CD2 4.1Å; L908-L911 PolarHBondContact O-N 3.38Å
909	Q	53	Low	51.3	Low	123 Å²	123	125.6 Å²	125.6	58%	0.575	62%	0.615	S	S	*	*	H	α-helix	trans	-73	-25.7	-178.4	-158.6	164.8	19.1	0	0	114	C903 L911	C903-Q909 WeakPolarHBondContact O-CB 3.4Å; C903-Q909 WeakPolarHBondContact O-CG 3.3Å; Q909-L911 VanDerWaalsContact C-N 3.33Å
910	Q	51.7	Low	50.3	Low	180 Å²	180	122.6 Å²	122.6	84%	0.841	64%	0.637	S	S	*	*	H	α-helix	trans	-73.7	-24	176	-84	-179.6	-26.2	0	0	113.7	C912	Q910-C912 VanDerWaalsContact C-N 3.34Å
911	L	52.7	Low	50.1	Low	76 Å²	76	123.9 Å²	123.9	40%	0.398	64%	0.643	S	S	.	*	H	α-helix	trans	-74.3	-27.8	-174.8	-154.6	74.6	0	0	0	112	F893 L908 Q909 T915	F893-L911 HydrophobicContact CE1-CD1 4.43Å; F893-L911 HydrophobicContact CE1-CD2 4.02Å; F893-L911 HydrophobicContact CE1-CG 3.68Å; F893-L911 HydrophobicContact CE2-CD2 3.95Å; F893-L911 HydrophobicContact CE2-CG 4.3Å; F893-L911 HydrophobicContact CZ-CD1 3.71Å; F893-L911 HydrophobicContact CZ-CD2 3.34Å; F893-L911 HydrophobicContact CZ-CG 3.26Å; L908-L911 HydrophobicContact CD2-CD2 4.1Å; L908-L911 PolarHBondContact O-N 3.38Å; Q909-L911 VanDerWaalsContact C-N 3.33Å; L911-T915 PolarHBondContact O-OG1 3.12Å
912	C	53	Low	49.9	Very low	24 Å²	24	125.1 Å²	125.1	16%	0.162	65%	0.649	C	S	.	*	H	α-helix	trans	-81.3	-29.4	-177.6	-49.5	0	0	0	0	114.3	V897 C903 Q910 R914	V897-C912 HydrophobicContact CG1-CB 4.01Å; V897-C912 WeakPolarHBondContact CG1-SG 3.21Å; C903-C912 VanDerWaalsContact CA-SG 3.53Å; C903-C912 HydrophobicContact CB-CB 4.01Å; C903-C912 WeakPolarHBondContact CB-SG 3.49Å; C903-C912 WeakPolarHBondContact SG-CB 3.31Å; C903-C912 CovalentContact SG-SG 2.01Å; C903-C912 PolarHBondContact SG-SG 2.81Å; Q910-C912 VanDerWaalsContact C-N 3.34Å; C912-R914 VanDerWaalsContact C-N 3.28Å; C912-R914 PolarHBondContact O-N 3.4Å
913	C	51.6	Low	49.5	Very low	112 Å²	112	129.6 Å²	129.6	76%	0.757	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-11.8	-177	-67.9	0	0	0	0	113.7
914	R	49.2	Very low	48.8	Very low	235 Å²	235	134.9 Å²	134.9	89%	0.887	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-16.7	179.5	-87.3	-173	173.3	-176.5	-1.9	114.5	C912	C912-R914 VanDerWaalsContact C-N 3.28Å; C912-R914 PolarHBondContact O-N 3.4Å
915	T	52.6	Low	48.5	Very low	63 Å²	63	133.6 Å²	133.6	39%	0.387	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.3	-6.6	-167.7	27.6	0	0	0	0	115.7	F893 C894 L911	F893-T915 HydrophobicContact CD1-CG2 3.53Å; F893-T915 WeakPolarHBondContact CD1-OG1 3.36Å; F893-T915 HydrophobicContact CE1-CG2 3.81Å; F893-T915 WeakPolarHBondContact CE1-OG1 3.5Å; F893-T915 HydrophobicContact CG-CG2 4.36Å; C894-T915 PolarHBondContact SG-O 2.87Å; L911-T915 PolarHBondContact O-OG1 3.12Å
916	C	43.2	Very low	48.1	Very low	80 Å²	80	130.4 Å²	130.4	54%	0.541	69%	0.694	S	S	.	*			trans	-140.8	106	173.2	-78.6	0	0	0	0	109.4	C894	C894-C916 WeakPolarHBondContact CB-SG 3.29Å; C894-C916 WeakPolarHBondContact SG-CB 3.35Å; C894-C916 CovalentContact SG-SG 2.1Å; C894-C916 PolarHBondContact SG-SG 3.18Å
917	S	43.1	Very low	47.7	Very low	116 Å²	116	122.5 Å²	122.5	81%	0.811	68%	0.679	S	S	*	*			trans	-85.2	125.4	165.4	171.6	0	0	0	0	108.4	K919	S917-K919 VanDerWaalsContact C-N 3.31Å; S917-K919 PolarHBondContact O-N 3.27Å
918	Q	38.7	Very low	47.3	Very low	177 Å²	177	121.3 Å²	121.3	83%	0.827	67%	0.667	S	S	*	*	S	Bend	trans	-63.3	88.4	170.4	-77.8	-179.8	-25.6	0	0	111
919	K	36.4	Very low	46.8	Very low	214 Å²	214	126.9 Å²	126.9	93%	0.93	70%	0.699	S	S	*	*				-133.9	77.4	116.7	-81.1	-164.1	177.5	178	0	107.5	S917	S917-K919 VanDerWaalsContact C-N 3.31Å; S917-K919 PolarHBondContact O-N 3.27Å
920	G	36.2	Very low	46.2	Very low	123 Å²	123	127.3 Å²	127.3	100%	1.268	71%	0.71	S	S	*	*			trans	123.4	0	-176.9	0	0	0	0	0	111.5

Retrieved 920 of 920 residues in 611.9 ms (Link to these results)

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