A0A087X4J5_POEFO Loading...

Toll like receptor 5

AlphaFold DB , UniProt , Accession A0A087X4J5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 892 aa.

						>A0A087X4J5_POEFO|A0A087X4J5
MWLLVLQLICAGFYLQLATCHPSCQLWGQKAYCTSRNLSWVPVLPPNLTHLYLDINLIHEINRTSLRDLKELQELDLGSQKVVLTIRNDSFLRQRKLTTLVLGDNVGLKLEPRAFVGLVRLRDLWLDYCSLTDYILAENYLKPLLSLEKLNLYGNNIVRLNPGQFFWNLTKFSKLILDLNQLEKICEKDLVGFQGKYFHLLSLRSNSFFRSDVDWKDCGNPFKEMAFNILDISGSGMNLETLKLFFRAIRGTPIAHLKCSGSLGKDFSYNNRPDPDKDTFQDLEESSVVHLDLSGNRIFALKTGVFRALKDVGNIDISRNKINVIETNAFIGLERNLLQLNLSFNLLGEIRSDTFSNLTELLILDLSDNHIGVLGDKAFSGLSQLHHLYLTGNALRQLASPAPLPNLEFLLLKDNKLNSIRSIISLWNSSKYLDISENRLTNLEDLYVVLTHFKRLLFFFYGGNTILWCTINPGVSMPPNNSLVVLDLHDSSLQISWAQGHCLDIFDNLQNLIGLNISFNSLMTLPHEVFRGLTSIRNIDLSFNALTYLEASVFPASLKSLSLSNNFLVSPDPMTFHSLSTLDLSGNQFHCDCGLEDFLKWLNMTNVTFLSPAQEYRCEFPASFHNLPLLEFHTIMESCEDEEKDIQAFQLALFISSAILVFSLVLGGIIYARLRGQIFIIYKKVVNRVLEGPKPPAQENNWQYDAFLCFSNSDYRWVEAALLKKLDNQFAEENLFHCCFEARDFLPGEDHLSNIKDAIWGSRKTLCIVSKEFLKDGWCLEAFTLAQGRMLEELTNVLVMLVVGKVAHYQLMKCNAVRAFVQRREYLTWPEDPQDLEWFYERLVSLILRDTKVKKFAEDKPETVKPDCQPPAKEKIPLENIRVNNLAGNPLM
					

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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	48.8	Very low	47.8	Very low	203 Å²	203	126.4 Å²	126.4	100%	1	65%	0.648	S	S	*	*				0	-21.7	0	-147.1	160.6	67.4	0	0	114
2	W	47	Very low	46.8	Very low	228 Å²	228	119.5 Å²	119.5	86%	0.864	63%	0.632	S	S	*	*			trans	-90.9	-13.7	178.4	-81.6	69	0	0	0	115.8
3	L	41.8	Very low	46.2	Very low	151 Å²	151	122.5 Å²	122.5	79%	0.791	64%	0.637	S	S	*	*	H	α-helix	trans	-83	-25.7	177.1	-97.2	131.4	0	0	0	114.3
4	L	46.4	Very low	45.6	Very low	121 Å²	121	129 Å²	129	63%	0.634	65%	0.651	S	S	*	*	H	α-helix	trans	-76.8	-29.6	177.5	-97.2	142.1	0	0	0	112.6	L8	L4-L8 PolarHBondContact O-N 3.26Å
5	V	57.2	Low	45	Very low	82 Å²	82	130 Å²	130	50%	0.497	66%	0.658	S	S	.	*	H	α-helix	trans	-74.3	-34.9	179.3	-179	0	0	0	0	111.1	L8 I9	V5-L8 PolarHBondContact O-N 3.42Å; V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CG1 3.34Å; V5-I9 PolarHBondContact O-N 3.14Å; V5-I9 VanDerWaalsContact O-N 3.14Å
6	L	47.6	Very low	44.4	Very low	118 Å²	118	131.4 Å²	131.4	62%	0.618	66%	0.661	S	S	*	*	H	α-helix	trans	-70	-36	176.6	-124.2	90.7	0	0	0	112.5	I9 C10	L6-I9 PolarHBondContact O-N 3.05Å; L6-C10 PolarHBondContact O-N 3.43Å
7	Q	48.6	Very low	44	Very low	140 Å²	140	131.9 Å²	131.9	65%	0.654	67%	0.666	S	S	*	*	H	α-helix	trans	-68.6	-33.8	175.2	-79.9	-175.4	-32.3	0	0	112.6	A11	Q7-A11 WeakPolarHBondContact O-CB 3.32Å; Q7-A11 PolarHBondContact O-N 2.94Å
8	L	49.6	Very low	43.3	Very low	123 Å²	123	130.4 Å²	130.4	64%	0.644	68%	0.677	S	S	*	*	H	α-helix	trans	-71.7	-32.7	175	-84.8	157.7	0	0	0	113	L4 V5 G12	L4-L8 PolarHBondContact O-N 3.26Å; V5-L8 PolarHBondContact O-N 3.42Å; L8-G12 PolarHBondContact O-N 3.23Å
9	I	52.7	Low	42.8	Very low	96 Å²	96	127.9 Å²	127.9	49%	0.492	67%	0.668	S	S	.	*	H	α-helix	trans	-74.4	-37.4	175.4	-63.8	166.4	0	0	0	110.9	V5 L6 G12 F13	V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CG1 3.34Å; V5-I9 PolarHBondContact O-N 3.14Å; V5-I9 VanDerWaalsContact O-N 3.14Å; L6-I9 PolarHBondContact O-N 3.05Å; I9-G12 PolarHBondContact O-N 3.43Å; I9-F13 HydrophobicContact CG2-CD2 4.48Å; I9-F13 PolarHBondContact O-N 3.49Å
10	C	43.1	Very low	42.4	Very low	81 Å²	81	127.9 Å²	127.9	55%	0.547	68%	0.677	S	S	.	*	H	α-helix	trans	-67.6	-37.2	172	-78	0	0	0	0	112.5	L6 G12 F13 Y14	L6-C10 PolarHBondContact O-N 3.43Å; C10-G12 VanDerWaalsContact C-N 3.32Å; C10-F13 PolarHBondContact O-N 3.26Å; C10-Y14 WeakPolarHBondContact O-CD2 3.5Å; C10-Y14 PolarHBondContact O-N 3.36Å
11	A	43.2	Very low	42.5	Very low	47 Å²	47	126 Å²	126	39%	0.388	66%	0.664	S	S	.	*	H	α-helix	trans	-67.6	-32.3	172.5	0	0	0	0	0	112.4	Q7 F13 Y14 L15	Q7-A11 WeakPolarHBondContact O-CB 3.32Å; Q7-A11 PolarHBondContact O-N 2.94Å; A11-F13 PolarHBondContact O-N 3.3Å; A11-Y14 PolarHBondContact O-N 2.94Å; A11-L15 PolarHBondContact O-N 3.3Å
12	G	35.6	Very low	42.8	Very low	44 Å²	44	119.3 Å²	119.3	45%	0.454	64%	0.636	S	S	.	*	H	α-helix	trans	-67.7	-28.7	175.8	0	0	0	0	0	114.5	L8 I9 C10	L8-G12 PolarHBondContact O-N 3.23Å; I9-G12 PolarHBondContact O-N 3.43Å; C10-G12 VanDerWaalsContact C-N 3.32Å
13	F	39.4	Very low	44	Very low	158 Å²	158	113.3 Å²	113.3	69%	0.693	63%	0.629	S	S	*	*	H	α-helix	trans	-82	-22.5	172.7	-90.8	-82.8	0	0	0	113.6	I9 C10 A11 L15	I9-F13 HydrophobicContact CG2-CD2 4.48Å; I9-F13 PolarHBondContact O-N 3.49Å; C10-F13 PolarHBondContact O-N 3.26Å; A11-F13 PolarHBondContact O-N 3.3Å; F13-L15 VanDerWaalsContact C-N 3.32Å
14	Y	37.4	Very low	46.1	Very low	214 Å²	214	107 Å²	107	84%	0.839	60%	0.598	S	S	*	*	H	α-helix	trans	-82.9	-7.2	172	-90.5	-82.8	0	0	0	113.9	C10 A11	C10-Y14 WeakPolarHBondContact O-CD2 3.5Å; C10-Y14 PolarHBondContact O-N 3.36Å; A11-Y14 PolarHBondContact O-N 2.94Å
15	L	37.2	Very low	48.2	Very low	144 Å²	144	105.3 Å²	105.3	75%	0.754	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	30.5	179.5	-86.5	156.1	0	0	0	113	A11 F13 L17	A11-L15 PolarHBondContact O-N 3.3Å; F13-L15 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.23Å
16	Q	35.1	Very low	49.8	Very low	153 Å²	153	105.5 Å²	105.5	72%	0.715	58%	0.584	S	S	*	*	S	Bend	trans	-80.6	94.2	156.4	-82	-168.2	-20.4	0	0	109.5	A18	Q16-A18 PolarHBondContact O-N 3.48Å
17	L	37.3	Very low	51.7	Low	140 Å²	140	107.4 Å²	107.4	73%	0.733	58%	0.583	S	S	*	*			trans	48.6	73.1	147.3	-69.6	151.4	0	0	0	115.1	L15 T19	L15-L17 PolarHBondContact O-N 3.23Å; L17-T19 HydrophobicContact CB-CG2 4.5Å; L17-T19 HydrophobicContact CD2-CG2 3.88Å; L17-T19 PolarHBondContact O-N 2.9Å
18	A	32.3	Very low	53.7	Low	105 Å²	105	104.3 Å²	104.3	87%	0.868	59%	0.589	S	S	*	*			trans	-69.1	70.8	143.1	0	0	0	0	0	108.2	Q16 C20	Q16-A18 PolarHBondContact O-N 3.48Å; A18-C20 PolarHBondContact O-N 2.95Å
19	T	32.8	Very low	55.8	Low	82 Å²	82	103.3 Å²	103.3	50%	0.503	58%	0.581	S	S	.	*			trans	-64.1	97.8	154.5	45.9	0	0	0	0	105.1	L17 H21	L17-T19 HydrophobicContact CB-CG2 4.5Å; L17-T19 HydrophobicContact CD2-CG2 3.88Å; L17-T19 PolarHBondContact O-N 2.9Å; T19-H21 PolarHBondContact O-N 2.64Å; T19-H21 PolarHBondContact O-ND1 2.77Å; T19-H21 PolarHBondContact OG1-CE1 2.83Å; T19-H21 VanDerWaalsContact OG1-CE1 3.29Å; T19-H21 PolarHBondContact OG1-ND1 2.92Å
20	C	34.5	Very low	57.9	Low	127 Å²	127	102.4 Å²	102.4	86%	0.858	57%	0.574	S	S	*	*			trans	-59.4	88	177.2	-161.7	0	0	0	0	108.3	A18	A18-C20 PolarHBondContact O-N 2.95Å
21	H	45.5	Very low	60.4	Low	88 Å²	88	98.6 Å²	98.6	41%	0.407	55%	0.548	S	S	.	.			trans	-73	139	170.1	-74.4	42.1	0	0	0	106.5	T19 S23 W40	T19-H21 PolarHBondContact O-N 2.64Å; T19-H21 PolarHBondContact O-ND1 2.77Å; T19-H21 PolarHBondContact OG1-CE1 2.83Å; T19-H21 VanDerWaalsContact OG1-CE1 3.29Å; T19-H21 PolarHBondContact OG1-ND1 2.92Å; H21-S23 PolarHBondContact O-N 2.91Å; H21-W40 AromaticContact NE2-CH2 3.72Å; H21-W40 AromaticContact NE2-CZ2 3.53Å
22	P	54.8	Low	62.9	Low	63 Å²	63	99.4 Å²	99.4	41%	0.409	54%	0.542	S	S	.	.			trans	-58.5	109.9	173.6	-18.8	30.6	0	0	0	108.6	C24 R36	P22-C24 PolarHBondContact O-N 2.86Å; P22-R36 HydrophobicContact CB-CB 4.18Å; P22-R36 HydrophobicContact CB-CG 4.38Å
23	S	71.6	Confident	65.8	Low	102 Å²	102	97.3 Å²	97.3	71%	0.713	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-61.1	133.3	178.2	-42.2	0	0	0	0	109.3	H21	H21-S23 PolarHBondContact O-N 2.91Å
24	C	87	Confident	68.3	Low	20 Å²	20	92 Å²	92	14%	0.135	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-60.7	144.4	168.9	-60.5	0	0	0	0	110.3	P22 C33 L44	P22-C24 PolarHBondContact O-N 2.86Å; C24-C33 HydrophobicContact CB-CB 4.05Å; C24-C33 WeakPolarHBondContact CB-SG 3.45Å; C24-C33 WeakPolarHBondContact SG-CB 3.45Å; C24-C33 CovalentContact SG-SG 2.02Å; C24-C33 PolarHBondContact SG-SG 2.94Å; C24-L44 HydrophobicContact CB-CD2 4.14Å
25	Q	90	Very high	71	Confident	85 Å²	85	85.1 Å²	85.1	40%	0.397	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.1	176.2	-176.6	167.4	-1.7	0	0	109.5	Y32	Q25-Y32 PolarHBondContact N-O 2.78Å; Q25-Y32 PolarHBondContact O-N 3.46Å
26	L	91.3	Very high	73.7	Confident	85 Å²	85	82.5 Å²	82.5	45%	0.445	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125	-178	-63.2	176.8	0	0	0	110.3	A31 L44 P45 L48	L26-A31 HydrophobicContact CD2-CB 3.62Å; L26-L44 HydrophobicContact CD2-CD2 4.44Å; L26-P45 HydrophobicContact CD1-CG 4.04Å; L26-L48 HydrophobicContact CD2-CD2 4.33Å
27	W	87.7	Confident	76.4	Confident	158 Å²	158	79.8 Å²	79.8	60%	0.598	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	99.1	173.2	-72.7	-24	0	0	0	109.3	Q29 K30 Y32	W27-Q29 PolarHBondContact O-N 3.45Å; W27-K30 PolarHBondContact N-O 3.32Å; W27-K30 WeakPolarHBondContact O-CB 3.05Å; W27-K30 PolarHBondContact O-N 3.29Å; W27-Y32 HydrophobicContact CB-CE2 4.28Å; W27-Y32 HydrophobicContact CD2-CD2 4.41Å; W27-Y32 HydrophobicContact CD2-CE2 4.2Å; W27-Y32 AromaticContact CE3-CD2 3.92Å; W27-Y32 HydrophobicContact CE3-CD2 3.92Å; W27-Y32 AromaticContact CE3-CE2 3.46Å; W27-Y32 HydrophobicContact CE3-CE2 3.46Å; W27-Y32 VanDerWaalsContact CE3-CE2 3.46Å; W27-Y32 HydrophobicContact CZ3-CE2 4.18Å
28	G	90.3	Very high	79.1	Confident	76 Å²	76	73.7 Å²	73.7	78%	0.784	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	-120.3	-173.3	0	0	0	0	0	111.6	K30	G28-K30 VanDerWaalsContact C-N 3.33Å
29	Q	93.7	Very high	82	Confident	101 Å²	101	71.1 Å²	71.1	47%	0.472	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	14.3	178.1	-63.8	179.2	-4.2	0	0	113.6	W27 L48 T49 H50	W27-Q29 PolarHBondContact O-N 3.45Å; Q29-L48 VanDerWaalsContact C-CD2 3.44Å; Q29-L48 WeakPolarHBondContact O-CA 3.04Å; Q29-L48 VanDerWaalsContact O-CD2 3.31Å; Q29-L48 WeakPolarHBondContact O-CD2 3.45Å; Q29-T49 HydrophobicContact CB-CG2 4.35Å; Q29-T49 WeakPolarHBondContact CB-OG1 3.23Å; Q29-T49 PolarHBondContact O-N 3.44Å; Q29-T49 PolarHBondContact O-OG1 2.94Å; Q29-H50 PolarHBondContact O-N 2.93Å
30	K	96.3	Very high	84.9	Confident	78 Å²	78	74.4 Å²	74.4	34%	0.339	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.5	179.5	-52.5	-167.3	176.8	-176.8	0	110.5	W27 G28 Y32 H50	W27-K30 PolarHBondContact N-O 3.32Å; W27-K30 WeakPolarHBondContact O-CB 3.05Å; W27-K30 PolarHBondContact O-N 3.29Å; G28-K30 VanDerWaalsContact C-N 3.33Å; K30-Y32 HydrophobicContact CB-CE2 3.77Å; K30-H50 WeakPolarHBondContact CA-O 3.42Å; K30-H50 HydrophobicContact CB-CB 4.22Å; K30-H50 HydrophobicContact CD-CB 4.28Å; K30-H50 HydrophobicContact CG-CB 3.91Å
31	A	95.8	Very high	87.8	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.8	175.8	0	0	0	0	0	110.9	L26 L44 L48 H50 L51 Y52	L26-A31 HydrophobicContact CD2-CB 3.62Å; A31-L44 HydrophobicContact CB-CD1 4.45Å; A31-L44 HydrophobicContact CB-CD2 4.39Å; A31-L48 HydrophobicContact CB-CD1 3.58Å; A31-L48 HydrophobicContact CB-CD2 4.03Å; A31-L48 HydrophobicContact CB-CG 4.45Å; A31-H50 PolarHBondContact N-O 2.75Å; A31-L51 HydrophobicContact CB-CD1 3.85Å; A31-Y52 PolarHBondContact O-N 2.91Å
32	Y	95.7	Very high	90	Very high	65 Å²	65	66.3 Å²	66.3	26%	0.255	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	102.3	178.6	-62	-89.3	0	0	0	109.4	Q25 W27 K30 Y52	Q25-Y32 PolarHBondContact N-O 2.78Å; Q25-Y32 PolarHBondContact O-N 3.46Å; W27-Y32 HydrophobicContact CB-CE2 4.28Å; W27-Y32 HydrophobicContact CD2-CD2 4.41Å; W27-Y32 HydrophobicContact CD2-CE2 4.2Å; W27-Y32 AromaticContact CE3-CD2 3.92Å; W27-Y32 HydrophobicContact CE3-CD2 3.92Å; W27-Y32 AromaticContact CE3-CE2 3.46Å; W27-Y32 HydrophobicContact CE3-CE2 3.46Å; W27-Y32 VanDerWaalsContact CE3-CE2 3.46Å; W27-Y32 HydrophobicContact CZ3-CE2 4.18Å; K30-Y32 HydrophobicContact CB-CE2 3.77Å; Y32-Y52 AromaticContact CD1-CD2 3.51Å; Y32-Y52 HydrophobicContact CD1-CD2 3.51Å; Y32-Y52 HydrophobicContact CD1-CE2 4.11Å; Y32-Y52 HydrophobicContact CD1-CG 4.16Å; Y32-Y52 AromaticContact CE1-CD2 3.45Å; Y32-Y52 HydrophobicContact CE1-CD2 3.45Å; Y32-Y52 VanDerWaalsContact CE1-CD2 3.45Å; Y32-Y52 AromaticContact CE1-CE2 3.54Å; Y32-Y52 HydrophobicContact CE1-CE2 3.54Å; Y32-Y52 HydrophobicContact CE1-CG 4.31Å; Y32-Y52 HydrophobicContact CG-CD2 4.2Å; Y32-Y52 AromaticContact CZ-CE2 3.87Å
33	C	95.2	Very high	91.6	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.379	C	S	.	.			trans	-112.9	17.3	-179.8	-55.6	0	0	0	0	112.1	C24 R36 L38 Y52 L53 N56	C24-C33 HydrophobicContact CB-CB 4.05Å; C24-C33 WeakPolarHBondContact CB-SG 3.45Å; C24-C33 WeakPolarHBondContact SG-CB 3.45Å; C24-C33 CovalentContact SG-SG 2.02Å; C24-C33 PolarHBondContact SG-SG 2.94Å; C33-R36 WeakPolarHBondContact O-CG 3.38Å; C33-L38 HydrophobicContact CB-CD1 3.75Å; C33-Y52 CarbonylContact C-O 3.16Å; C33-Y52 VanDerWaalsContact CA-O 3.25Å; C33-Y52 WeakPolarHBondContact CA-O 3.44Å; C33-Y52 WeakPolarHBondContact CB-O 3.5Å; C33-Y52 PolarHBondContact N-O 2.93Å; C33-L53 HydrophobicContact CB-CD2 3.54Å; C33-L53 HydrophobicContact CB-CG 4.35Å; C33-N56 PolarHBondContact O-ND2 3.41Å
34	T	93.4	Very high	92.6	Very high	47 Å²	47	67 Å²	67	29%	0.288	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136.2	-178.5	-51.7	0	0	0	0	112.4	R36 Y52 D54 I55	T34-R36 VanDerWaalsContact C-N 3.31Å; T34-R36 WeakPolarHBondContact O-CG 3.26Å; T34-R36 PolarHBondContact O-N 2.99Å; T34-Y52 PolarHBondContact N-O 3.01Å; T34-D54 WeakPolarHBondContact CA-O 3.4Å; T34-D54 WeakPolarHBondContact CB-OD1 3.35Å; T34-D54 VanDerWaalsContact CG2-CG 3.49Å; T34-D54 WeakPolarHBondContact CG2-OD1 3.41Å; T34-D54 WeakPolarHBondContact CG2-OD2 3.36Å; T34-D54 PolarHBondContact OG1-OD1 3.33Å; T34-I55 HydrophobicContact CG2-CD1 4.19Å
35	S	94.2	Very high	92.8	Very high	69 Å²	69	68.3 Å²	68.3	48%	0.483	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	41.5	173.5	-159.5	0	0	0	0	114.4	D54 I55	S35-D54 PolarHBondContact N-O 3.23Å; S35-I55 WeakPolarHBondContact CA-O 3.47Å
36	R	92.5	Very high	92.9	Very high	89 Å²	89	68.3 Å²	68.3	34%	0.336	37%	0.367	S	S	.	.	S	Bend	trans	-104.2	7.7	-179.3	-62.7	-53.5	-177.5	164.1	0.4	113.7	P22 C33 T34 L38 N56	P22-R36 HydrophobicContact CB-CB 4.18Å; P22-R36 HydrophobicContact CB-CG 4.38Å; C33-R36 WeakPolarHBondContact O-CG 3.38Å; T34-R36 VanDerWaalsContact C-N 3.31Å; T34-R36 WeakPolarHBondContact O-CG 3.26Å; T34-R36 PolarHBondContact O-N 2.99Å; R36-L38 HydrophobicContact CB-CD1 3.99Å; R36-L38 HydrophobicContact CB-CD2 4.35Å; R36-L38 HydrophobicContact CB-CG 3.78Å; R36-L38 PolarHBondContact O-N 2.99Å; R36-N56 PolarHBondContact N-OD1 3.1Å
37	N	92.9	Very high	93	Very high	96 Å²	96	68.3 Å²	68.3	51%	0.513	37%	0.368	S	S	.	.			trans	53.2	35.1	-175.4	-68.8	-25.4	0	0	0	113.1	N56 L57 K81	N37-N56 PolarHBondContact N-OD1 3.09Å; N37-L57 HydrophobicContact CB-CD1 4.07Å; N37-K81 PolarHBondContact OD1-NZ 3.13Å; N37-K81 VanDerWaalsContact OD1-NZ 3.13Å
38	L	93.4	Very high	93.4	Very high	12 Å²	12	60.9 Å²	60.9	6%	0.063	34%	0.34	C	S	.	.			trans	-73.9	133.5	-179.9	-61.6	168.2	0	0	0	110.6	C33 R36 P42 L53 N56 L57 I58	C33-L38 HydrophobicContact CB-CD1 3.75Å; R36-L38 HydrophobicContact CB-CD1 3.99Å; R36-L38 HydrophobicContact CB-CD2 4.35Å; R36-L38 HydrophobicContact CB-CG 3.78Å; R36-L38 PolarHBondContact O-N 2.99Å; L38-P42 HydrophobicContact CD1-CG 4.1Å; L38-L53 HydrophobicContact CD1-CD2 4.01Å; L38-N56 HydrophobicContact CB-CB 4.3Å; L38-N56 PolarHBondContact N-OD1 3.29Å; L38-L57 CarbonylContact O-C 3.58Å; L38-L57 VanDerWaalsContact O-C 3.22Å; L38-L57 VanDerWaalsContact O-CA 3.3Å; L38-L57 WeakPolarHBondContact O-CA 3.37Å; L38-L57 WeakPolarHBondContact O-CB 3.23Å; L38-L57 PolarHBondContact O-N 3.24Å; L38-I58 WeakPolarHBondContact O-CG1 3.38Å; L38-I58 PolarHBondContact O-N 3.47Å
39	S	94.2	Very high	93.8	Very high	50 Å²	50	57.8 Å²	57.8	35%	0.35	31%	0.306	S	S	.	.	S	Bend	trans	-96.8	-12.2	175.5	-56.3	0	0	0	0	113.9
40	W	93.8	Very high	94	Very high	151 Å²	151	54.7 Å²	54.7	57%	0.572	29%	0.291	S	S	*	.	S	Bend	trans	-147.5	165.6	175.3	59	89.8	0	0	0	109.9	H21 P42	H21-W40 AromaticContact NE2-CH2 3.72Å; H21-W40 AromaticContact NE2-CZ2 3.53Å; W40-P42 WeakPolarHBondContact O-CD 3.39Å
41	V	94.3	Very high	94.1	Very high	18 Å²	18	51 Å²	51	11%	0.109	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-66.9	119.2	174.3	-177.4	0	0	0	0	109.3	L53 I58 I61 L66	V41-L53 HydrophobicContact CG1-CD1 4.23Å; V41-L53 HydrophobicContact CG2-CD1 3.98Å; V41-I58 HydrophobicContact CG2-CD1 4.46Å; V41-I61 HydrophobicContact CG2-CD1 3.63Å; V41-L66 HydrophobicContact CG1-CD2 4.14Å; V41-L66 HydrophobicContact CG2-CD2 4.22Å
42	P	91.5	Very high	94.2	Very high	28 Å²	28	52.6 Å²	52.6	18%	0.182	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-69.7	164	-179.1	28.4	-32.7	0	0	0	111.5	L38 W40 L44	L38-P42 HydrophobicContact CD1-CG 4.1Å; W40-P42 WeakPolarHBondContact O-CD 3.39Å; P42-L44 HydrophobicContact CG-CD1 4.24Å; P42-L44 HydrophobicContact CG-CD2 4.42Å; P42-L44 HydrophobicContact CG-CG 4.18Å; P42-L44 PolarHBondContact O-N 3.43Å
43	V	89.8	Confident	94.2	Very high	154 Å²	154	49.5 Å²	49.5	93%	0.933	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-69.2	122	173.3	-178	0	0	0	0	108.7
44	L	91.3	Very high	94.3	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	28%	0.276	C	S	.	.			trans	-133.2	158.7	-173.1	-70.7	171.2	0	0	0	111.3	C24 L26 A31 P42 L48 L51 L69	C24-L44 HydrophobicContact CB-CD2 4.14Å; L26-L44 HydrophobicContact CD2-CD2 4.44Å; A31-L44 HydrophobicContact CB-CD1 4.45Å; A31-L44 HydrophobicContact CB-CD2 4.39Å; P42-L44 HydrophobicContact CG-CD1 4.24Å; P42-L44 HydrophobicContact CG-CD2 4.42Å; P42-L44 HydrophobicContact CG-CG 4.18Å; P42-L44 PolarHBondContact O-N 3.43Å; L44-L48 HydrophobicContact CB-CD1 3.72Å; L44-L48 HydrophobicContact CD1-CD1 4.1Å; L44-L48 HydrophobicContact CD2-CD1 4.5Å; L44-L48 HydrophobicContact CG-CD1 4.34Å; L44-L51 HydrophobicContact CD1-CD1 3.51Å; L44-L51 HydrophobicContact CD1-CD2 4Å; L44-L51 HydrophobicContact CD1-CG 4.44Å; L44-L69 HydrophobicContact CB-CD2 4.16Å
45	P	91.9	Very high	94.5	Very high	46 Å²	46	51.7 Å²	51.7	30%	0.299	28%	0.278	S	S	.	.			trans	-56.7	137.1	176.9	-25.1	34.3	0	0	0	112.8	L26 N47 L48 L69	L26-P45 HydrophobicContact CD1-CG 4.04Å; P45-N47 VanDerWaalsContact C-N 3.26Å; P45-N47 WeakPolarHBondContact CB-OD1 3.44Å; P45-N47 PolarHBondContact O-N 3Å; P45-L48 HydrophobicContact CB-CG 4.34Å; P45-L48 VanDerWaalsContact O-CG 3.29Å; P45-L48 WeakPolarHBondContact O-CG 3.38Å; P45-L48 PolarHBondContact O-N 2.71Å; P45-L69 VanDerWaalsContact O-CD2 3.24Å; P45-L69 WeakPolarHBondContact O-CD2 3.43Å
46	P	91.6	Very high	94.6	Very high	86 Å²	86	48.4 Å²	48.4	56%	0.558	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.4	-173.9	28.5	-35.6	0	0	0	114.5	L48 D68	P46-L48 VanDerWaalsContact C-N 3.34Å; P46-D68 WeakPolarHBondContact CB-O 3.28Å
47	N	94.3	Very high	94.8	Very high	85 Å²	85	46.7 Å²	46.7	46%	0.455	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.8	-178.6	66.9	-23.7	0	0	0	113.7	P45	P45-N47 VanDerWaalsContact C-N 3.26Å; P45-N47 WeakPolarHBondContact CB-OD1 3.44Å; P45-N47 PolarHBondContact O-N 3Å
48	L	96.2	Very high	95	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.228	C	C	.	.			trans	-65.2	136.7	177.2	-70.5	175.5	0	0	0	111.5	L26 Q29 A31 L44 P45 P46 L69 E71 L72	L26-L48 HydrophobicContact CD2-CD2 4.33Å; Q29-L48 VanDerWaalsContact C-CD2 3.44Å; Q29-L48 WeakPolarHBondContact O-CA 3.04Å; Q29-L48 VanDerWaalsContact O-CD2 3.31Å; Q29-L48 WeakPolarHBondContact O-CD2 3.45Å; A31-L48 HydrophobicContact CB-CD1 3.58Å; A31-L48 HydrophobicContact CB-CD2 4.03Å; A31-L48 HydrophobicContact CB-CG 4.45Å; L44-L48 HydrophobicContact CB-CD1 3.72Å; L44-L48 HydrophobicContact CD1-CD1 4.1Å; L44-L48 HydrophobicContact CD2-CD1 4.5Å; L44-L48 HydrophobicContact CG-CD1 4.34Å; P45-L48 HydrophobicContact CB-CG 4.34Å; P45-L48 VanDerWaalsContact O-CG 3.29Å; P45-L48 WeakPolarHBondContact O-CG 3.38Å; P45-L48 PolarHBondContact O-N 2.71Å; P46-L48 VanDerWaalsContact C-N 3.34Å; L48-L69 HydrophobicContact CD1-CD2 4.27Å; L48-E71 CarbonylContact O-C 3.53Å; L48-E71 VanDerWaalsContact O-C 3.24Å; L48-L72 HydrophobicContact CB-CD2 4.42Å; L48-L72 PolarHBondContact O-N 2.94Å
49	T	97.5	Very high	95.2	Very high	12 Å²	12	46.7 Å²	46.7	7%	0.074	25%	0.249	C	C	.	.	S	Bend	trans	-104.5	-26.9	175.1	53.1	0	0	0	0	112.2	Q29 Q73 E74	Q29-T49 HydrophobicContact CB-CG2 4.35Å; Q29-T49 WeakPolarHBondContact CB-OG1 3.23Å; Q29-T49 PolarHBondContact O-N 3.44Å; Q29-T49 PolarHBondContact O-OG1 2.94Å; T49-Q73 PolarHBondContact O-N 3.48Å; T49-E74 PolarHBondContact O-N 3.38Å
50	H	98.4	Very high	95.3	Very high	36 Å²	36	46.6 Å²	46.6	17%	0.167	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.2	179.1	-55.3	64.6	0	0	0	110.2	Q29 K30 A31 Y52 E74	Q29-H50 PolarHBondContact O-N 2.93Å; K30-H50 WeakPolarHBondContact CA-O 3.42Å; K30-H50 HydrophobicContact CB-CB 4.22Å; K30-H50 HydrophobicContact CD-CB 4.28Å; K30-H50 HydrophobicContact CG-CB 3.91Å; A31-H50 PolarHBondContact N-O 2.75Å; H50-Y52 HydrophobicContact CB-CE2 3.91Å; H50-E74 WeakPolarHBondContact CA-O 3.34Å; H50-E74 HydrophobicContact CB-CB 4.44Å
51	L	97.9	Very high	95.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	118.9	179.5	174.8	55.8	0	0	0	110.7	A31 L44 L53 L66 L69 L72 E74 L75 D76	A31-L51 HydrophobicContact CB-CD1 3.85Å; L44-L51 HydrophobicContact CD1-CD1 3.51Å; L44-L51 HydrophobicContact CD1-CD2 4Å; L44-L51 HydrophobicContact CD1-CG 4.44Å; L51-L53 HydrophobicContact CD1-CD1 4.22Å; L51-L53 HydrophobicContact CD1-CD2 4.31Å; L51-L53 HydrophobicContact CD1-CG 3.88Å; L51-L53 HydrophobicContact CD2-CD1 3.73Å; L51-L53 HydrophobicContact CD2-CG 4.31Å; L51-L53 HydrophobicContact CG-CD1 3.82Å; L51-L53 HydrophobicContact CG-CG 3.9Å; L51-L66 HydrophobicContact CD2-CD2 4.31Å; L51-L69 HydrophobicContact CD2-CD1 3.62Å; L51-L72 HydrophobicContact CB-CD2 3.71Å; L51-L72 HydrophobicContact CD2-CD1 4.48Å; L51-E74 PolarHBondContact N-O 2.93Å; L51-L75 HydrophobicContact CB-CD1 4.03Å; L51-L75 HydrophobicContact CD2-CD1 3.95Å; L51-L75 HydrophobicContact CG-CD1 3.91Å; L51-L75 WeakPolarHBondContact O-CA 3.4Å; L51-D76 PolarHBondContact O-N 3.29Å
52	Y	97.9	Very high	95.7	Very high	33 Å²	33	40.6 Å²	40.6	13%	0.129	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.2	179.1	-54.7	-79.9	0	0	0	110	A31 Y32 C33 T34 H50 E74 D76	A31-Y52 PolarHBondContact O-N 2.91Å; Y32-Y52 AromaticContact CD1-CD2 3.51Å; Y32-Y52 HydrophobicContact CD1-CD2 3.51Å; Y32-Y52 HydrophobicContact CD1-CE2 4.11Å; Y32-Y52 HydrophobicContact CD1-CG 4.16Å; Y32-Y52 AromaticContact CE1-CD2 3.45Å; Y32-Y52 HydrophobicContact CE1-CD2 3.45Å; Y32-Y52 VanDerWaalsContact CE1-CD2 3.45Å; Y32-Y52 AromaticContact CE1-CE2 3.54Å; Y32-Y52 HydrophobicContact CE1-CE2 3.54Å; Y32-Y52 HydrophobicContact CE1-CG 4.31Å; Y32-Y52 HydrophobicContact CG-CD2 4.2Å; Y32-Y52 AromaticContact CZ-CE2 3.87Å; C33-Y52 CarbonylContact C-O 3.16Å; C33-Y52 VanDerWaalsContact CA-O 3.25Å; C33-Y52 WeakPolarHBondContact CA-O 3.44Å; C33-Y52 WeakPolarHBondContact CB-O 3.5Å; C33-Y52 PolarHBondContact N-O 2.93Å; T34-Y52 PolarHBondContact N-O 3.01Å; H50-Y52 HydrophobicContact CB-CE2 3.91Å; Y52-E74 VanDerWaalsContact CE1-OE1 3.23Å; Y52-E74 WeakPolarHBondContact CE1-OE1 3.43Å; Y52-E74 PolarHBondContact OH-OE1 2.87Å; Y52-D76 HydrophobicContact CD1-CB 3.82Å
53	L	97.1	Very high	95.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.			trans	-118.4	19.5	-177.7	-72.8	164.2	0	0	0	112.1	C33 L38 V41 L51 N56 I58 L75 D76 L77 Q80	C33-L53 HydrophobicContact CB-CD2 3.54Å; C33-L53 HydrophobicContact CB-CG 4.35Å; L38-L53 HydrophobicContact CD1-CD2 4.01Å; V41-L53 HydrophobicContact CG1-CD1 4.23Å; V41-L53 HydrophobicContact CG2-CD1 3.98Å; L51-L53 HydrophobicContact CD1-CD1 4.22Å; L51-L53 HydrophobicContact CD1-CD2 4.31Å; L51-L53 HydrophobicContact CD1-CG 3.88Å; L51-L53 HydrophobicContact CD2-CD1 3.73Å; L51-L53 HydrophobicContact CD2-CG 4.31Å; L51-L53 HydrophobicContact CG-CD1 3.82Å; L51-L53 HydrophobicContact CG-CG 3.9Å; L53-N56 VanDerWaalsContact C-ND2 3.32Å; L53-N56 PolarHBondContact O-ND2 2.84Å; L53-I58 HydrophobicContact CB-CD1 4.23Å; L53-I58 HydrophobicContact CD1-CD1 4.28Å; L53-I58 HydrophobicContact CD2-CD1 4.13Å; L53-I58 HydrophobicContact CG-CD1 4.48Å; L53-L75 HydrophobicContact CD1-CD1 4.28Å; L53-D76 WeakPolarHBondContact CA-O 3.3Å; L53-D76 WeakPolarHBondContact CB-O 3.33Å; L53-D76 PolarHBondContact N-O 2.63Å; L53-L77 HydrophobicContact CB-CD2 3.89Å; L53-L77 HydrophobicContact CD1-CD2 3.78Å; L53-Q80 PolarHBondContact O-NE2 3.18Å
54	D	96.9	Very high	96.1	Very high	28 Å²	28	43.5 Å²	43.5	15%	0.15	22%	0.222	C	C	.	.			trans	-66.7	155.6	-178.2	63.5	-59	0	0	0	113.2	T34 S35 N56 G78	T34-D54 WeakPolarHBondContact CA-O 3.4Å; T34-D54 WeakPolarHBondContact CB-OD1 3.35Å; T34-D54 VanDerWaalsContact CG2-CG 3.49Å; T34-D54 WeakPolarHBondContact CG2-OD1 3.41Å; T34-D54 WeakPolarHBondContact CG2-OD2 3.36Å; T34-D54 PolarHBondContact OG1-OD1 3.33Å; S35-D54 PolarHBondContact N-O 3.23Å; D54-N56 PolarHBondContact O-N 2.98Å; D54-N56 PolarHBondContact O-ND2 2.85Å; D54-G78 VanDerWaalsContact CA-O 3.25Å; D54-G78 WeakPolarHBondContact CA-O 3.27Å
55	I	96.4	Very high	96.3	Very high	65 Å²	65	43.7 Å²	43.7	33%	0.333	23%	0.226	S	C	.	.	S	Bend	trans	61.6	41.4	176.9	-44.1	174.6	0	0	0	112.3	T34 S35 G78 S79	T34-I55 HydrophobicContact CG2-CD1 4.19Å; S35-I55 WeakPolarHBondContact CA-O 3.47Å; I55-G78 PolarHBondContact N-O 2.82Å; I55-S79 WeakPolarHBondContact CA-O 3.17Å
56	N	97.1	Very high	96.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-116.8	-166.9	179.5	-79.2	-60.3	0	0	0	112.6	C33 R36 N37 L38 L53 D54 I58 Q80 K81	C33-N56 PolarHBondContact O-ND2 3.41Å; R36-N56 PolarHBondContact N-OD1 3.1Å; N37-N56 PolarHBondContact N-OD1 3.09Å; L38-N56 HydrophobicContact CB-CB 4.3Å; L38-N56 PolarHBondContact N-OD1 3.29Å; L53-N56 VanDerWaalsContact C-ND2 3.32Å; L53-N56 PolarHBondContact O-ND2 2.84Å; D54-N56 PolarHBondContact O-N 2.98Å; D54-N56 PolarHBondContact O-ND2 2.85Å; N56-I58 HydrophobicContact CB-CG1 4.26Å; N56-Q80 VanDerWaalsContact CB-OE1 3.23Å; N56-Q80 PolarHBondContact O-OE1 3.32Å; N56-K81 WeakPolarHBondContact O-CB 3.48Å; N56-K81 PolarHBondContact O-N 3.27Å
57	L	96.8	Very high	96.6	Very high	54 Å²	54	42.9 Å²	42.9	28%	0.283	21%	0.206	S	C	.	.			trans	-116.8	26.8	-178.7	-68.1	161.3	0	0	0	111	N37 L38 H59 K81 V82	N37-L57 HydrophobicContact CB-CD1 4.07Å; L38-L57 CarbonylContact O-C 3.58Å; L38-L57 VanDerWaalsContact O-C 3.22Å; L38-L57 VanDerWaalsContact O-CA 3.3Å; L38-L57 WeakPolarHBondContact O-CA 3.37Å; L38-L57 WeakPolarHBondContact O-CB 3.23Å; L38-L57 PolarHBondContact O-N 3.24Å; L57-H59 PolarHBondContact O-N 3.06Å; L57-K81 HydrophobicContact CD2-CB 3.71Å; L57-K81 HydrophobicContact CD2-CD 4.16Å; L57-K81 HydrophobicContact CG-CD 4.49Å; L57-V82 VanDerWaalsContact C-CG2 3.49Å; L57-V82 HydrophobicContact CD2-CG1 4.01Å; L57-V82 WeakPolarHBondContact O-CG2 3.21Å
58	I	97.2	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.			trans	-76.3	113.6	-178.3	-55.9	176.6	0	0	0	108.3	L38 V41 L53 N56 I61 L77 L84	L38-I58 WeakPolarHBondContact O-CG1 3.38Å; L38-I58 PolarHBondContact O-N 3.47Å; V41-I58 HydrophobicContact CG2-CD1 4.46Å; L53-I58 HydrophobicContact CB-CD1 4.23Å; L53-I58 HydrophobicContact CD1-CD1 4.28Å; L53-I58 HydrophobicContact CD2-CD1 4.13Å; L53-I58 HydrophobicContact CG-CD1 4.48Å; N56-I58 HydrophobicContact CB-CG1 4.26Å; I58-I61 HydrophobicContact CG2-CD1 3.9Å; I58-I61 HydrophobicContact CG2-CG1 4.45Å; I58-L77 HydrophobicContact CD1-CD2 4.39Å; I58-L84 HydrophobicContact CG2-CD1 4.37Å; I58-L84 WeakPolarHBondContact O-CD1 3.13Å
59	H	96.6	Very high	96.5	Very high	107 Å²	107	43.2 Å²	43.2	50%	0.495	21%	0.208	S	C	.	.			trans	-95.2	-19.1	-177.3	65.2	-77.4	0	0	0	113.1	L57 V82 L84 T85	L57-H59 PolarHBondContact O-N 3.06Å; H59-V82 HydrophobicContact CB-CG2 3.77Å; H59-L84 CarbonylContact O-C 3.57Å; H59-T85 PolarHBondContact O-N 3.34Å
60	E	97.7	Very high	96.4	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.4	-177.1	-172.5	177.2	121.8	0	0	111.7	N62 T85 R87	E60-N62 HydrophobicContact CG-CB 4.49Å; E60-N62 PolarHBondContact OE1-ND2 2.72Å; E60-T85 WeakPolarHBondContact CA-O 3.35Å; E60-R87 VanDerWaalsContact CD-NE 3.34Å; E60-R87 HydrophobicContact CG-CG 3.84Å; E60-R87 IonicContact OE1-NE 3.61Å; E60-R87 IonicContact OE2-CZ 3.24Å; E60-R87 IonicContact OE2-NE 3.23Å; E60-R87 PolarHBondContact OE2-NE 2.98Å; E60-R87 IonicContact OE2-NH2 2.83Å; E60-R87 PolarHBondContact OE2-NH2 2.91Å
61	I	98.2	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.1	161.6	-60.2	-67.2	0	0	0	107.8	V41 I58 L66 L77 L84 T85 I86 R87 S90 F91	V41-I61 HydrophobicContact CG2-CD1 3.63Å; I58-I61 HydrophobicContact CG2-CD1 3.9Å; I58-I61 HydrophobicContact CG2-CG1 4.45Å; I61-L66 HydrophobicContact CG2-CD1 4.18Å; I61-L77 HydrophobicContact CD1-CD1 4.29Å; I61-L77 HydrophobicContact CD1-CD2 4.07Å; I61-L77 HydrophobicContact CG1-CD1 3.97Å; I61-L77 HydrophobicContact CG1-CD2 4.39Å; I61-L84 HydrophobicContact CG1-CD1 4.13Å; I61-T85 PolarHBondContact N-O 2.64Å; I61-I86 HydrophobicContact CB-CD1 3.77Å; I61-I86 HydrophobicContact CG1-CD1 3.94Å; I61-R87 PolarHBondContact O-N 3.31Å; I61-S90 PolarHBondContact O-OG 3.03Å; I61-F91 HydrophobicContact CG2-CE1 4.43Å
62	N	97	Very high	96.4	Very high	42 Å²	42	49.4 Å²	49.4	23%	0.225	23%	0.234	C	C	.	.			trans	-135.8	-179.1	-179.3	64.2	29.2	0	0	0	111.6	E60 T64 S65 R87 S90	E60-N62 HydrophobicContact CG-CB 4.49Å; E60-N62 PolarHBondContact OE1-ND2 2.72Å; N62-T64 PolarHBondContact O-N 2.99Å; N62-T64 PolarHBondContact OD1-N 2.92Å; N62-T64 VanDerWaalsContact OD1-N 3.13Å; N62-T64 PolarHBondContact OD1-OG1 3.41Å; N62-S65 PolarHBondContact N-OG 3.27Å; N62-S65 WeakPolarHBondContact O-CB 3.48Å; N62-S65 PolarHBondContact O-N 3.2Å; N62-S65 PolarHBondContact O-OG 2.98Å; N62-S65 PolarHBondContact OD1-N 3.36Å; N62-S65 PolarHBondContact OD1-OG 2.83Å; N62-R87 HydrophobicContact CB-CB 4.08Å; N62-R87 HydrophobicContact CB-CG 3.97Å; N62-S90 WeakPolarHBondContact CA-OG 3.4Å
63	R	95.3	Very high	96.4	Very high	154 Å²	154	51.7 Å²	51.7	58%	0.581	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23	-176.4	-61.7	-178.5	-179.8	175.9	-2.5	115	N88 D89	R63-N88 WeakPolarHBondContact CG-O 3.03Å; R63-N88 PolarHBondContact NE-O 3.22Å; R63-D89 HydrophobicContact CG-CB 4.19Å; R63-D89 IonicContact CZ-OD2 3.38Å; R63-D89 IonicContact NE-OD2 2.85Å; R63-D89 PolarHBondContact NE-OD2 2.96Å; R63-D89 IonicContact NH2-OD2 2.64Å; R63-D89 PolarHBondContact NH2-OD2 3.1Å
64	T	94.6	Very high	96.5	Very high	90 Å²	90	54.1 Å²	54.1	55%	0.552	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-22	179.2	46	0	0	0	0	113.3	N62 L66 R67	N62-T64 PolarHBondContact O-N 2.99Å; N62-T64 PolarHBondContact OD1-N 2.92Å; N62-T64 VanDerWaalsContact OD1-N 3.13Å; N62-T64 PolarHBondContact OD1-OG1 3.41Å; T64-L66 PolarHBondContact O-N 3.45Å; T64-R67 PolarHBondContact O-N 3.28Å
65	S	95.8	Very high	96.6	Very high	30 Å²	30	52.8 Å²	52.8	21%	0.21	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-39.2	-170.1	-58.3	0	0	0	0	113.3	N62	N62-S65 PolarHBondContact N-OG 3.27Å; N62-S65 WeakPolarHBondContact O-CB 3.48Å; N62-S65 PolarHBondContact O-N 3.2Å; N62-S65 PolarHBondContact O-OG 2.98Å; N62-S65 PolarHBondContact OD1-N 3.36Å; N62-S65 PolarHBondContact OD1-OG 2.83Å
66	L	95.7	Very high	96.7	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	13.9	-176.4	-61.3	168.9	0	0	0	112.7	V41 L51 I61 T64 D68 L69 L72 L75 F91 Q94	V41-L66 HydrophobicContact CG1-CD2 4.14Å; V41-L66 HydrophobicContact CG2-CD2 4.22Å; L51-L66 HydrophobicContact CD2-CD2 4.31Å; I61-L66 HydrophobicContact CG2-CD1 4.18Å; T64-L66 PolarHBondContact O-N 3.45Å; L66-D68 PolarHBondContact O-N 3.33Å; L66-L69 HydrophobicContact CD2-CD1 3.92Å; L66-L69 PolarHBondContact O-N 3.27Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L66-L72 HydrophobicContact CD2-CD1 4.43Å; L66-L75 HydrophobicContact CD1-CD2 3.55Å; L66-L75 HydrophobicContact CD2-CD2 4.49Å; L66-F91 HydrophobicContact CD1-CD1 3.76Å; L66-F91 HydrophobicContact CD1-CE1 3.54Å; L66-Q94 PolarHBondContact O-NE2 3.49Å
67	R	93.9	Very high	96.7	Very high	114 Å²	114	51.1 Å²	51.1	43%	0.43	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.3	-166.5	-175.6	-174.2	67.5	-162.9	-9.3	114.3	T64 R93	T64-R67 PolarHBondContact O-N 3.28Å; R67-R93 WeakPolarHBondContact O-CD 3.44Å
68	D	93.3	Very high	96.7	Very high	86 Å²	86	48.8 Å²	48.8	46%	0.46	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-9.3	-170.9	-56.4	-28.7	0	0	0	112.2	P46 L66 K70	P46-D68 WeakPolarHBondContact CB-O 3.28Å; L66-D68 PolarHBondContact O-N 3.33Å; D68-K70 PolarHBondContact O-N 3.33Å
69	L	95.8	Very high	96.7	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.037	24%	0.243	C	C	.	.			trans	-97.2	69.1	-179	-58.2	176.3	0	0	0	111.5	L44 P45 L48 L51 L66 L72 Q94	L44-L69 HydrophobicContact CB-CD2 4.16Å; P45-L69 VanDerWaalsContact O-CD2 3.24Å; P45-L69 WeakPolarHBondContact O-CD2 3.43Å; L48-L69 HydrophobicContact CD1-CD2 4.27Å; L51-L69 HydrophobicContact CD2-CD1 3.62Å; L66-L69 HydrophobicContact CD2-CD1 3.92Å; L66-L69 PolarHBondContact O-N 3.27Å; L66-L69 VanDerWaalsContact O-N 3.1Å; L69-L72 HydrophobicContact CB-CD1 3.58Å; L69-L72 HydrophobicContact CB-CG 3.88Å; L69-L72 HydrophobicContact CD1-CD1 4.05Å; L69-L72 HydrophobicContact CG-CD1 4.46Å; L69-Q94 PolarHBondContact O-NE2 2.92Å
70	K	95.6	Very high	96.8	Very high	106 Å²	106	46 Å²	46	46%	0.461	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.5	-174	-61.3	177.6	-173.2	167.6	0	114	D68 L72 R93	D68-K70 PolarHBondContact O-N 3.33Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-R93 HydrophobicContact CG-CB 4.46Å
71	E	97.3	Very high	96.7	Very high	71 Å²	71	49.3 Å²	49.3	33%	0.332	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.9	-175.1	-64.2	-58.8	124.6	0	0	113.4	L48 Q73 K96	L48-E71 CarbonylContact O-C 3.53Å; L48-E71 VanDerWaalsContact O-C 3.24Å; E71-Q73 PolarHBondContact O-N 2.89Å; E71-K96 IonicContact OE1-NZ 3.29Å; E71-K96 PolarHBondContact OE1-NZ 3.01Å; E71-K96 IonicContact OE2-NZ 3.58Å; E71-K96 PolarHBondContact OE2-NZ 3.02Å
72	L	97.9	Very high	96.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.			trans	-57.3	130.6	179.9	-74.7	174.9	0	0	0	111.9	L48 L51 L66 L69 K70 Q94 K96 L97	L48-L72 HydrophobicContact CB-CD2 4.42Å; L48-L72 PolarHBondContact O-N 2.94Å; L51-L72 HydrophobicContact CB-CD2 3.71Å; L51-L72 HydrophobicContact CD2-CD1 4.48Å; L66-L72 HydrophobicContact CD2-CD1 4.43Å; L69-L72 HydrophobicContact CB-CD1 3.58Å; L69-L72 HydrophobicContact CB-CG 3.88Å; L69-L72 HydrophobicContact CD1-CD1 4.05Å; L69-L72 HydrophobicContact CG-CD1 4.46Å; K70-L72 VanDerWaalsContact C-N 3.33Å; L72-Q94 HydrophobicContact CD1-CG 4.47Å; L72-K96 CarbonylContact O-C 3.46Å; L72-K96 WeakPolarHBondContact O-CB 3.47Å; L72-L97 HydrophobicContact CB-CD1 3.87Å; L72-L97 VanDerWaalsContact O-CA 3.3Å; L72-L97 WeakPolarHBondContact O-CA 3.14Å; L72-L97 PolarHBondContact O-N 3.13Å
73	Q	98.3	Very high	96.6	Very high	82 Å²	82	53.2 Å²	53.2	38%	0.383	26%	0.261	S	S	.	.	S	Bend	trans	-111.7	-37.6	174	-60.5	-179.2	30.9	0	0	109.9	T49 E71 L97 T98 T99	T49-Q73 PolarHBondContact O-N 3.48Å; E71-Q73 PolarHBondContact O-N 2.89Å; Q73-L97 WeakPolarHBondContact O-CD1 3.37Å; Q73-T98 PolarHBondContact O-N 2.81Å; Q73-T98 PolarHBondContact O-OG1 3.41Å; Q73-T98 VanDerWaalsContact O-OG1 3.07Å; Q73-T99 PolarHBondContact O-N 2.99Å
74	E	98.6	Very high	96.8	Very high	50 Å²	50	45.9 Å²	45.9	23%	0.234	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134	176.2	-173.3	164.7	117.5	0	0	111.2	T49 H50 L51 Y52 T99	T49-E74 PolarHBondContact O-N 3.38Å; H50-E74 WeakPolarHBondContact CA-O 3.34Å; H50-E74 HydrophobicContact CB-CB 4.44Å; L51-E74 PolarHBondContact N-O 2.93Å; Y52-E74 VanDerWaalsContact CE1-OE1 3.23Å; Y52-E74 WeakPolarHBondContact CE1-OE1 3.43Å; Y52-E74 PolarHBondContact OH-OE1 2.87Å; E74-T99 WeakPolarHBondContact CA-O 3.32Å; E74-T99 HydrophobicContact CG-CG2 4.19Å
75	L	98.6	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	121.1	176.1	175.1	61.2	0	0	0	109.5	L51 L53 L66 L77 F91 L97 T99 L100 V101	L51-L75 HydrophobicContact CB-CD1 4.03Å; L51-L75 HydrophobicContact CD2-CD1 3.95Å; L51-L75 HydrophobicContact CG-CD1 3.91Å; L51-L75 WeakPolarHBondContact O-CA 3.4Å; L53-L75 HydrophobicContact CD1-CD1 4.28Å; L66-L75 HydrophobicContact CD1-CD2 3.55Å; L66-L75 HydrophobicContact CD2-CD2 4.49Å; L75-L77 HydrophobicContact CD1-CD1 4.4Å; L75-L77 HydrophobicContact CD1-CG 4.1Å; L75-L77 HydrophobicContact CD2-CD1 3.77Å; L75-L77 HydrophobicContact CD2-CG 4.35Å; L75-L77 HydrophobicContact CG-CD1 4.03Å; L75-L77 HydrophobicContact CG-CG 4.07Å; L75-F91 HydrophobicContact CD2-CE1 3.85Å; L75-L97 HydrophobicContact CB-CD1 3.79Å; L75-L97 HydrophobicContact CB-CD2 4.36Å; L75-T99 PolarHBondContact N-O 2.8Å; L75-T99 VanDerWaalsContact N-O 3.1Å; L75-L100 HydrophobicContact CB-CD1 4.18Å; L75-L100 HydrophobicContact CD2-CD1 3.99Å; L75-L100 HydrophobicContact CG-CD1 4.09Å; L75-L100 WeakPolarHBondContact O-CA 3.25Å; L75-V101 PolarHBondContact O-N 3.09Å
76	D	98.6	Very high	97.1	Very high	31 Å²	31	41.2 Å²	41.2	17%	0.166	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.3	172.5	-165	-18.3	0	0	0	110.6	L51 Y52 L53 G78 V101	L51-D76 PolarHBondContact O-N 3.29Å; Y52-D76 HydrophobicContact CD1-CB 3.82Å; L53-D76 WeakPolarHBondContact CA-O 3.3Å; L53-D76 WeakPolarHBondContact CB-O 3.33Å; L53-D76 PolarHBondContact N-O 2.63Å; D76-G78 PolarHBondContact OD1-N 3.04Å; D76-V101 HydrophobicContact CB-CB 4.24Å; D76-V101 WeakPolarHBondContact OD1-CG1 3.5Å
77	L	97.9	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.			trans	-124	21.5	176.8	-76.8	166.3	0	0	0	110.6	L53 I58 I61 L75 Q80 L84 V101 L102 N105	L53-L77 HydrophobicContact CB-CD2 3.89Å; L53-L77 HydrophobicContact CD1-CD2 3.78Å; I58-L77 HydrophobicContact CD1-CD2 4.39Å; I61-L77 HydrophobicContact CD1-CD1 4.29Å; I61-L77 HydrophobicContact CD1-CD2 4.07Å; I61-L77 HydrophobicContact CG1-CD1 3.97Å; I61-L77 HydrophobicContact CG1-CD2 4.39Å; L75-L77 HydrophobicContact CD1-CD1 4.4Å; L75-L77 HydrophobicContact CD1-CG 4.1Å; L75-L77 HydrophobicContact CD2-CD1 3.77Å; L75-L77 HydrophobicContact CD2-CG 4.35Å; L75-L77 HydrophobicContact CG-CD1 4.03Å; L75-L77 HydrophobicContact CG-CG 4.07Å; L77-Q80 PolarHBondContact O-NE2 2.96Å; L77-L84 HydrophobicContact CB-CD2 4.4Å; L77-V101 PolarHBondContact N-O 3.33Å; L77-L102 HydrophobicContact CB-CD2 3.83Å; L77-L102 HydrophobicContact CD1-CD2 4.1Å; L77-N105 PolarHBondContact O-ND2 3.46Å
78	G	96.7	Very high	97.3	Very high	4 Å²	4	42.4 Å²	42.4	4%	0.041	21%	0.211	C	C	.	.			trans	-64.5	163.8	-176.7	0	0	0	0	0	114.2	D54 I55 D76 Q80 G103	D54-G78 VanDerWaalsContact CA-O 3.25Å; D54-G78 WeakPolarHBondContact CA-O 3.27Å; I55-G78 PolarHBondContact N-O 2.82Å; D76-G78 PolarHBondContact OD1-N 3.04Å; G78-Q80 VanDerWaalsContact C-N 3.31Å; G78-Q80 PolarHBondContact O-N 3.03Å; G78-Q80 VanDerWaalsContact O-N 3.1Å; G78-Q80 PolarHBondContact O-NE2 3.23Å; G78-G103 CarbonylContact C-O 3.22Å; G78-G103 WeakPolarHBondContact CA-O 3.35Å
79	S	97.4	Very high	97.5	Very high	38 Å²	38	38.6 Å²	38.6	27%	0.266	19%	0.191	S	C	.	.			trans	49.5	41.5	167.8	-55.6	0	0	0	0	115.2	I55 K81 G103 D104	I55-S79 WeakPolarHBondContact CA-O 3.17Å; S79-K81 PolarHBondContact O-N 3.36Å; S79-G103 PolarHBondContact N-O 3.27Å; S79-D104 WeakPolarHBondContact CA-O 3.37Å; S79-D104 WeakPolarHBondContact CB-OD2 3.43Å; S79-D104 WeakPolarHBondContact OG-CB 3.33Å; S79-D104 PolarHBondContact OG-OD2 3.27Å
80	Q	97.9	Very high	97.5	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.051	19%	0.19	C	C	.	.			trans	-68.3	134.9	173.1	-56.7	-57.8	-60.8	0	0	109.7	L53 N56 L77 G78 V82 L84 N105	L53-Q80 PolarHBondContact O-NE2 3.18Å; N56-Q80 VanDerWaalsContact CB-OE1 3.23Å; N56-Q80 PolarHBondContact O-OE1 3.32Å; L77-Q80 PolarHBondContact O-NE2 2.96Å; G78-Q80 VanDerWaalsContact C-N 3.31Å; G78-Q80 PolarHBondContact O-N 3.03Å; G78-Q80 VanDerWaalsContact O-N 3.1Å; G78-Q80 PolarHBondContact O-NE2 3.23Å; Q80-V82 PolarHBondContact O-N 3.14Å; Q80-V82 VanDerWaalsContact O-N 3.09Å; Q80-L84 HydrophobicContact CG-CB 4.46Å; Q80-L84 HydrophobicContact CG-CD2 4.23Å; Q80-N105 WeakPolarHBondContact CB-OD1 3.47Å; Q80-N105 WeakPolarHBondContact CG-OD1 3.38Å; Q80-N105 PolarHBondContact N-OD1 2.89Å
81	K	95.9	Very high	97.6	Very high	118 Å²	118	33.3 Å²	33.3	51%	0.513	17%	0.168	S	C	.	.	S	Bend	trans	-70.6	-3.7	-179.6	-62.8	175.6	-174.2	174.2	0	113.3	N37 N56 L57 S79	N37-K81 PolarHBondContact OD1-NZ 3.13Å; N37-K81 VanDerWaalsContact OD1-NZ 3.13Å; N56-K81 WeakPolarHBondContact O-CB 3.48Å; N56-K81 PolarHBondContact O-N 3.27Å; L57-K81 HydrophobicContact CD2-CB 3.71Å; L57-K81 HydrophobicContact CD2-CD 4.16Å; L57-K81 HydrophobicContact CG-CD 4.49Å; S79-K81 PolarHBondContact O-N 3.36Å
82	V	97	Very high	97.6	Very high	55 Å²	55	34 Å²	34	33%	0.333	17%	0.173	S	C	.	.	S	Bend	trans	-130.8	158.9	178.9	-67.4	0	0	0	0	109.1	L57 H59 Q80 L84	L57-V82 VanDerWaalsContact C-CG2 3.49Å; L57-V82 HydrophobicContact CD2-CG1 4.01Å; L57-V82 WeakPolarHBondContact O-CG2 3.21Å; H59-V82 HydrophobicContact CB-CG2 3.77Å; Q80-V82 PolarHBondContact O-N 3.14Å; Q80-V82 VanDerWaalsContact O-N 3.09Å; V82-L84 PolarHBondContact O-N 3.23Å
83	V	97.6	Very high	97.4	Very high	70 Å²	70	39.8 Å²	39.8	42%	0.424	20%	0.195	S	C	.	.			trans	-63	113.6	177.5	177.3	0	0	0	0	110.1	G107 K109	V83-G107 VanDerWaalsContact CG1-O 3.28Å; V83-G107 WeakPolarHBondContact CG1-O 3.24Å; V83-K109 HydrophobicContact CG1-CD 4.49Å; V83-K109 HydrophobicContact CG1-CG 4.34Å
84	L	98.3	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-79.2	133.2	177	-179.9	60.3	0	0	0	110.8	I58 H59 I61 L77 Q80 V82 I86 L102 N105 L108 K109	I58-L84 HydrophobicContact CG2-CD1 4.37Å; I58-L84 WeakPolarHBondContact O-CD1 3.13Å; H59-L84 CarbonylContact O-C 3.57Å; I61-L84 HydrophobicContact CG1-CD1 4.13Å; L77-L84 HydrophobicContact CB-CD2 4.4Å; Q80-L84 HydrophobicContact CG-CB 4.46Å; Q80-L84 HydrophobicContact CG-CD2 4.23Å; V82-L84 PolarHBondContact O-N 3.23Å; L84-I86 HydrophobicContact CD1-CD1 4.15Å; L84-I86 HydrophobicContact CD2-CD1 3.98Å; L84-I86 HydrophobicContact CG-CD1 3.93Å; L84-L102 HydrophobicContact CD2-CD2 3.96Å; L84-N105 HydrophobicContact CB-CB 4.39Å; L84-L108 HydrophobicContact CB-CD1 3.96Å; L84-L108 HydrophobicContact CD2-CD1 4.03Å; L84-L108 HydrophobicContact CG-CD1 3.95Å; L84-K109 PolarHBondContact O-N 3.36Å
85	T	98.3	Very high	97.2	Very high	22 Å²	22	41.3 Å²	41.3	14%	0.135	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.2	172.5	-56.6	0	0	0	0	110.3	H59 E60 I61 K109	H59-T85 PolarHBondContact O-N 3.34Å; E60-T85 WeakPolarHBondContact CA-O 3.35Å; I61-T85 PolarHBondContact N-O 2.64Å; T85-K109 CarbonylContact C-O 3.43Å; T85-K109 WeakPolarHBondContact CA-O 3.24Å; T85-K109 HydrophobicContact CG2-CB 4.01Å
86	I	98.2	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.3	172.8	-49.4	-59.3	0	0	0	109.1	I61 L84 F91 L102 L108 K109 L110 E111 A114	I61-I86 HydrophobicContact CB-CD1 3.77Å; I61-I86 HydrophobicContact CG1-CD1 3.94Å; L84-I86 HydrophobicContact CD1-CD1 4.15Å; L84-I86 HydrophobicContact CD2-CD1 3.98Å; L84-I86 HydrophobicContact CG-CD1 3.93Å; I86-F91 HydrophobicContact CG2-CD2 4.48Å; I86-F91 HydrophobicContact CG2-CE2 3.66Å; I86-F91 HydrophobicContact CG2-CZ 4.18Å; I86-L102 HydrophobicContact CD1-CD2 4.15Å; I86-L108 HydrophobicContact CG1-CD1 4.26Å; I86-K109 PolarHBondContact N-O 3.42Å; I86-L110 HydrophobicContact CB-CD2 3.75Å; I86-L110 HydrophobicContact CG1-CD2 3.7Å; I86-E111 PolarHBondContact O-N 2.84Å; I86-E111 VanDerWaalsContact O-N 3.1Å; I86-A114 HydrophobicContact CB-CB 4.18Å; I86-A114 HydrophobicContact CG2-CB 3.72Å
87	R	97.9	Very high	97.2	Very high	93 Å²	93	43.3 Å²	43.3	35%	0.351	20%	0.203	S	C	.	.			trans	-78.1	165.4	-178.2	-58.1	-65.2	-170.6	163.9	2.8	112.3	E60 I61 N62 D89 S90 E111	E60-R87 VanDerWaalsContact CD-NE 3.34Å; E60-R87 HydrophobicContact CG-CG 3.84Å; E60-R87 IonicContact OE1-NE 3.61Å; E60-R87 IonicContact OE2-CZ 3.24Å; E60-R87 IonicContact OE2-NE 3.23Å; E60-R87 PolarHBondContact OE2-NE 2.98Å; E60-R87 IonicContact OE2-NH2 2.83Å; E60-R87 PolarHBondContact OE2-NH2 2.91Å; I61-R87 PolarHBondContact O-N 3.31Å; N62-R87 HydrophobicContact CB-CB 4.08Å; N62-R87 HydrophobicContact CB-CG 3.97Å; R87-D89 PolarHBondContact O-N 2.94Å; R87-S90 PolarHBondContact N-OG 3.35Å; R87-S90 WeakPolarHBondContact O-CB 3.29Å; R87-S90 PolarHBondContact O-N 3.48Å; R87-S90 PolarHBondContact O-OG 3.46Å; R87-E111 WeakPolarHBondContact CA-OE2 3.4Å; R87-E111 WeakPolarHBondContact CD-OE1 3.38Å; R87-E111 IonicContact CZ-OE1 3.95Å; R87-E111 IonicContact NE-OE1 3.39Å; R87-E111 IonicContact NH1-OE1 3.01Å; R87-E111 PolarHBondContact NH1-OE1 2.95Å
88	N	97.1	Very high	97.2	Very high	47 Å²	47	45.1 Å²	45.1	25%	0.251	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	132.2	175.7	-73.8	-44.3	0	0	0	112.8	R63 S90 E111 R113	R63-N88 WeakPolarHBondContact CG-O 3.03Å; R63-N88 PolarHBondContact NE-O 3.22Å; N88-S90 PolarHBondContact O-N 3.15Å; N88-E111 WeakPolarHBondContact CB-OE2 3.5Å; N88-E111 PolarHBondContact N-OE2 3.43Å; N88-E111 PolarHBondContact ND2-OE2 3.12Å; N88-E111 VanDerWaalsContact OD1-CB 3.23Å; N88-E111 WeakPolarHBondContact OD1-CB 2.97Å; N88-R113 HydrophobicContact CB-CB 4.1Å; N88-R113 WeakPolarHBondContact OD1-CA 3.38Å; N88-R113 VanDerWaalsContact OD1-CB 3.26Å; N88-R113 WeakPolarHBondContact OD1-CB 3.23Å; N88-R113 PolarHBondContact OD1-N 2.65Å
89	D	96.3	Very high	97.3	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.027	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	24.9	177.3	-43.1	-69.1	0	0	0	114.3	R63 R87 F91 L92 R113	R63-D89 HydrophobicContact CG-CB 4.19Å; R63-D89 IonicContact CZ-OD2 3.38Å; R63-D89 IonicContact NE-OD2 2.85Å; R63-D89 PolarHBondContact NE-OD2 2.96Å; R63-D89 IonicContact NH2-OD2 2.64Å; R63-D89 PolarHBondContact NH2-OD2 3.1Å; R87-D89 PolarHBondContact O-N 2.94Å; D89-F91 PolarHBondContact O-N 2.89Å; D89-L92 HydrophobicContact CB-CB 4.3Å; D89-L92 WeakPolarHBondContact O-CB 3.37Å; D89-L92 PolarHBondContact O-N 2.93Å; D89-R113 PolarHBondContact N-O 3.33Å; D89-R113 IonicContact OD1-CZ 3.85Å; D89-R113 VanDerWaalsContact OD1-CZ 3.24Å; D89-R113 IonicContact OD1-NE 2.89Å; D89-R113 PolarHBondContact OD1-NE 2.77Å; D89-R113 IonicContact OD1-NH2 3.71Å; D89-R113 PolarHBondContact OD1-NH2 3.03Å; D89-R113 IonicContact OD2-CZ 3.9Å; D89-R113 IonicContact OD2-NE 3.36Å; D89-R113 IonicContact OD2-NH2 3.51Å; D89-R113 PolarHBondContact OD2-NH2 2.67Å
90	S	97.3	Very high	97.4	Very high	2 Å²	2	44 Å²	44	1%	0.014	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.9	177.2	-71	0	0	0	0	113.6	I61 N62 R87 N88	I61-S90 PolarHBondContact O-OG 3.03Å; N62-S90 WeakPolarHBondContact CA-OG 3.4Å; R87-S90 PolarHBondContact N-OG 3.35Å; R87-S90 WeakPolarHBondContact O-CB 3.29Å; R87-S90 PolarHBondContact O-N 3.48Å; R87-S90 PolarHBondContact O-OG 3.46Å; N88-S90 PolarHBondContact O-N 3.15Å
91	F	97.2	Very high	97.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	20.4	-175.8	-55.7	-66.6	0	0	0	114.1	I61 L66 L75 I86 D89 R93 Q94 L100 A114 F115 V116 L118	I61-F91 HydrophobicContact CG2-CE1 4.43Å; L66-F91 HydrophobicContact CD1-CD1 3.76Å; L66-F91 HydrophobicContact CD1-CE1 3.54Å; L75-F91 HydrophobicContact CD2-CE1 3.85Å; I86-F91 HydrophobicContact CG2-CD2 4.48Å; I86-F91 HydrophobicContact CG2-CE2 3.66Å; I86-F91 HydrophobicContact CG2-CZ 4.18Å; D89-F91 PolarHBondContact O-N 2.89Å; F91-R93 PolarHBondContact O-N 2.02Å; F91-Q94 HydrophobicContact CB-CB 4.29Å; F91-Q94 PolarHBondContact O-N 3.31Å; F91-L100 HydrophobicContact CE2-CD2 4Å; F91-L100 HydrophobicContact CZ-CD1 4.32Å; F91-L100 HydrophobicContact CZ-CD2 4Å; F91-A114 VanDerWaalsContact CD2-O 3.27Å; F91-A114 WeakPolarHBondContact CD2-O 3.42Å; F91-F115 HydrophobicContact CD2-CD1 4.24Å; F91-F115 HydrophobicContact CE2-CD1 4.07Å; F91-F115 HydrophobicContact CE2-CE1 4.31Å; F91-V116 CarbonylContact C-O 3.46Å; F91-L118 HydrophobicContact CB-CD1 4.15Å; F91-L118 HydrophobicContact CB-CD2 3.53Å; F91-L118 HydrophobicContact CB-CG 3.66Å; F91-L118 HydrophobicContact CD1-CD2 4.48Å; F91-L118 HydrophobicContact CD2-CD1 3.78Å; F91-L118 HydrophobicContact CD2-CG 4.25Å; F91-L118 HydrophobicContact CE2-CD1 4.4Å; F91-L118 HydrophobicContact CG-CD1 4.05Å; F91-L118 HydrophobicContact CG-CD2 3.98Å; F91-L118 HydrophobicContact CG-CG 4.1Å
92	L	95.7	Very high	97.5	Very high	85 Å²	85	39.2 Å²	39.2	45%	0.445	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.2	-171.7	-169.6	65.2	0	0	0	113.8	D89 V116	D89-L92 HydrophobicContact CB-CB 4.3Å; D89-L92 WeakPolarHBondContact O-CB 3.37Å; D89-L92 PolarHBondContact O-N 2.93Å; L92-V116 HydrophobicContact CD1-CG1 4.06Å; L92-V116 PolarHBondContact N-O 3.03Å
93	R	95.2	Very high	97.6	Very high	122 Å²	122	36.8 Å²	36.8	46%	0.46	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-13.3	-178.8	-67.8	-173.3	172.8	-164	-1.2	113.9	R67 K70 F91 R95	R67-R93 WeakPolarHBondContact O-CD 3.44Å; K70-R93 HydrophobicContact CG-CB 4.46Å; F91-R93 PolarHBondContact O-N 2.02Å; R93-R95 PolarHBondContact O-N 3.32Å
94	Q	96.9	Very high	97.6	Very high	3 Å²	3	37 Å²	37	1%	0.014	17%	0.17	C	C	.	.			trans	-82.1	53.1	-176.7	-76.8	58.1	52.4	0	0	111.4	L66 L69 L72 F91 K96 L97 L118	L66-Q94 PolarHBondContact O-NE2 3.49Å; L69-Q94 PolarHBondContact O-NE2 2.92Å; L72-Q94 HydrophobicContact CD1-CG 4.47Å; F91-Q94 HydrophobicContact CB-CB 4.29Å; F91-Q94 PolarHBondContact O-N 3.31Å; Q94-K96 PolarHBondContact O-N 3.48Å; Q94-L97 HydrophobicContact CB-CB 4.29Å; Q94-L97 WeakPolarHBondContact O-CB 3.4Å; Q94-L97 PolarHBondContact O-N 3.36Å; Q94-L118 HydrophobicContact CB-CD2 4.11Å
95	R	96	Very high	97.6	Very high	161 Å²	161	37 Å²	37	61%	0.608	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.2	-174.2	-64.4	-174.9	178.3	-172.1	-1.8	114	R93 V119 R120	R93-R95 PolarHBondContact O-N 3.32Å; R95-V119 HydrophobicContact CB-CG2 4.11Å; R95-V119 HydrophobicContact CG-CG2 4.43Å; R95-R120 WeakPolarHBondContact O-CB 3.2Å; R95-R120 WeakPolarHBondContact O-CD 3.37Å; R95-R120 WeakPolarHBondContact O-CG 3.25Å
96	K	97.7	Very high	97.5	Very high	74 Å²	74	40.3 Å²	40.3	32%	0.322	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.7	179.2	-73.3	178.1	171.6	173.6	0	113.2	E71 L72 Q94 T98	E71-K96 IonicContact OE1-NZ 3.29Å; E71-K96 PolarHBondContact OE1-NZ 3.01Å; E71-K96 IonicContact OE2-NZ 3.58Å; E71-K96 PolarHBondContact OE2-NZ 3.02Å; L72-K96 CarbonylContact O-C 3.46Å; L72-K96 WeakPolarHBondContact O-CB 3.47Å; Q94-K96 PolarHBondContact O-N 3.48Å; K96-T98 PolarHBondContact O-N 3.18Å
97	L	98.4	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.			trans	-64.4	124	-176.2	-158.9	76.5	0	0	0	110.4	L72 Q73 L75 Q94 L100 L118 R120 L121	L72-L97 HydrophobicContact CB-CD1 3.87Å; L72-L97 VanDerWaalsContact O-CA 3.3Å; L72-L97 WeakPolarHBondContact O-CA 3.14Å; L72-L97 PolarHBondContact O-N 3.13Å; Q73-L97 WeakPolarHBondContact O-CD1 3.37Å; L75-L97 HydrophobicContact CB-CD1 3.79Å; L75-L97 HydrophobicContact CB-CD2 4.36Å; Q94-L97 HydrophobicContact CB-CB 4.29Å; Q94-L97 WeakPolarHBondContact O-CB 3.4Å; Q94-L97 PolarHBondContact O-N 3.36Å; L97-L100 HydrophobicContact CD2-CB 4.03Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L97-L118 HydrophobicContact CB-CD2 3.89Å; L97-L118 HydrophobicContact CD2-CD2 3.55Å; L97-L118 HydrophobicContact CG-CD2 4.35Å; L97-R120 CarbonylContact O-C 3.54Å; L97-L121 HydrophobicContact CD2-CD1 4.11Å; L97-L121 HydrophobicContact CG-CD1 4.21Å; L97-L121 VanDerWaalsContact O-CA 3.28Å; L97-L121 WeakPolarHBondContact O-CA 3.34Å; L97-L121 PolarHBondContact O-N 2.86Å
98	T	98.6	Very high	97.4	Very high	38 Å²	38	37.9 Å²	37.9	23%	0.233	19%	0.191	C	C	.	.			trans	-105.9	-30.4	177	53.5	0	0	0	0	111.8	Q73 K96 R122 D123	Q73-T98 PolarHBondContact O-N 2.81Å; Q73-T98 PolarHBondContact O-OG1 3.41Å; Q73-T98 VanDerWaalsContact O-OG1 3.07Å; K96-T98 PolarHBondContact O-N 3.18Å; T98-R122 PolarHBondContact O-N 2.86Å; T98-D123 PolarHBondContact O-N 2.8Å
99	T	98.8	Very high	97.5	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.4	-177.2	-52.8	0	0	0	0	110.2	Q73 E74 L75 V101 D123	Q73-T99 PolarHBondContact O-N 2.99Å; E74-T99 WeakPolarHBondContact CA-O 3.32Å; E74-T99 HydrophobicContact CG-CG2 4.19Å; L75-T99 PolarHBondContact N-O 2.8Å; L75-T99 VanDerWaalsContact N-O 3.1Å; T99-V101 HydrophobicContact CG2-CG2 4.27Å; T99-D123 WeakPolarHBondContact CA-O 3.35Å; T99-D123 HydrophobicContact CG2-CB 4.2Å
100	L	98.8	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.5	174.5	177	58	0	0	0	109.3	L75 F91 L97 L102 F115 L118 L121 D123 L124 W125	L75-L100 HydrophobicContact CB-CD1 4.18Å; L75-L100 HydrophobicContact CD2-CD1 3.99Å; L75-L100 HydrophobicContact CG-CD1 4.09Å; L75-L100 WeakPolarHBondContact O-CA 3.25Å; F91-L100 HydrophobicContact CE2-CD2 4Å; F91-L100 HydrophobicContact CZ-CD1 4.32Å; F91-L100 HydrophobicContact CZ-CD2 4Å; L97-L100 HydrophobicContact CD2-CB 4.03Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L100-L102 HydrophobicContact CD1-CD2 4.4Å; L100-L102 HydrophobicContact CD1-CG 4.2Å; L100-L102 HydrophobicContact CD2-CD1 3.98Å; L100-L102 HydrophobicContact CD2-CG 4.4Å; L100-L102 HydrophobicContact CG-CD1 4.16Å; L100-L102 HydrophobicContact CG-CG 4.05Å; L100-F115 HydrophobicContact CD2-CD1 4.22Å; L100-F115 HydrophobicContact CD2-CE1 3.96Å; L100-L118 HydrophobicContact CD2-CD1 3.85Å; L100-L121 HydrophobicContact CB-CD1 3.66Å; L100-L121 HydrophobicContact CB-CD2 4.41Å; L100-D123 PolarHBondContact N-O 3.01Å; L100-L124 HydrophobicContact CB-CD1 4.09Å; L100-L124 HydrophobicContact CD2-CD1 4Å; L100-L124 HydrophobicContact CG-CD1 4.05Å; L100-W125 PolarHBondContact O-N 2.92Å
101	V	98.8	Very high	97.4	Very high	28 Å²	28	45 Å²	45	17%	0.17	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.8	176.6	-175.4	0	0	0	0	109.6	L75 D76 L77 T99 W125	L75-V101 PolarHBondContact O-N 3.09Å; D76-V101 HydrophobicContact CB-CB 4.24Å; D76-V101 WeakPolarHBondContact OD1-CG1 3.5Å; L77-V101 PolarHBondContact N-O 3.33Å; T99-V101 HydrophobicContact CG2-CG2 4.27Å; V101-W125 HydrophobicContact CB-CB 4.41Å; V101-W125 HydrophobicContact CG1-CB 4.14Å; V101-W125 HydrophobicContact CG2-CB 4.38Å; V101-W125 HydrophobicContact CG2-CG 4.13Å
102	L	98.4	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.			trans	-124	10.1	175	-67.4	170.4	0	0	0	111.2	L77 L84 I86 L100 N105 L108 F115 W125 L126 C129	L77-L102 HydrophobicContact CB-CD2 3.83Å; L77-L102 HydrophobicContact CD1-CD2 4.1Å; L84-L102 HydrophobicContact CD2-CD2 3.96Å; I86-L102 HydrophobicContact CD1-CD2 4.15Å; L100-L102 HydrophobicContact CD1-CD2 4.4Å; L100-L102 HydrophobicContact CD1-CG 4.2Å; L100-L102 HydrophobicContact CD2-CD1 3.98Å; L100-L102 HydrophobicContact CD2-CG 4.4Å; L100-L102 HydrophobicContact CG-CD1 4.16Å; L100-L102 HydrophobicContact CG-CG 4.05Å; L102-N105 WeakPolarHBondContact O-CB 3.49Å; L102-N105 PolarHBondContact O-ND2 2.87Å; L102-L108 HydrophobicContact CB-CD2 4.26Å; L102-L108 HydrophobicContact CD1-CD2 4.49Å; L102-F115 HydrophobicContact CD1-CE1 3.87Å; L102-F115 HydrophobicContact CD1-CZ 4.11Å; L102-W125 CarbonylContact C-O 3.58Å; L102-W125 WeakPolarHBondContact CA-O 3.14Å; L102-W125 WeakPolarHBondContact CB-O 3.47Å; L102-W125 PolarHBondContact N-O 3.33Å; L102-L126 HydrophobicContact CB-CD2 3.88Å; L102-L126 HydrophobicContact CD1-CD2 3.89Å; L102-C129 PolarHBondContact O-SG 3.2Å
103	G	97.6	Very high	97.1	Very high	4 Å²	4	51 Å²	51	4%	0.041	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	156.9	-176.4	0	0	0	0	0	113.3	G78 S79 N105 W125 D127	G78-G103 CarbonylContact C-O 3.22Å; G78-G103 WeakPolarHBondContact CA-O 3.35Å; S79-G103 PolarHBondContact N-O 3.27Å; G103-N105 PolarHBondContact O-N 3.06Å; G103-N105 VanDerWaalsContact O-N 3.12Å; G103-N105 PolarHBondContact O-ND2 3.25Å; G103-W125 PolarHBondContact N-O 3.06Å; G103-D127 CarbonylContact C-O 3.56Å; G103-D127 VanDerWaalsContact CA-O 3.24Å; G103-D127 WeakPolarHBondContact CA-O 3.44Å
104	D	97.6	Very high	97.2	Very high	74 Å²	74	45.3 Å²	45.3	40%	0.396	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	23.5	177.3	-165.4	39.2	0	0	0	114.2	S79 V106 D127	S79-D104 WeakPolarHBondContact CA-O 3.37Å; S79-D104 WeakPolarHBondContact CB-OD2 3.43Å; S79-D104 WeakPolarHBondContact OG-CB 3.33Å; S79-D104 PolarHBondContact OG-OD2 3.27Å; D104-V106 PolarHBondContact O-N 2.83Å; D104-D127 PolarHBondContact N-O 3.1Å
105	N	98.3	Very high	97.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.227	C	C	.	.			trans	-94.5	80.6	170.4	-77	-68.2	0	0	0	110.2	L77 Q80 L84 L102 G103 G107 L108 C129	L77-N105 PolarHBondContact O-ND2 3.46Å; Q80-N105 WeakPolarHBondContact CB-OD1 3.47Å; Q80-N105 WeakPolarHBondContact CG-OD1 3.38Å; Q80-N105 PolarHBondContact N-OD1 2.89Å; L84-N105 HydrophobicContact CB-CB 4.39Å; L102-N105 WeakPolarHBondContact O-CB 3.49Å; L102-N105 PolarHBondContact O-ND2 2.87Å; G103-N105 PolarHBondContact O-N 3.06Å; G103-N105 VanDerWaalsContact O-N 3.12Å; G103-N105 PolarHBondContact O-ND2 3.25Å; N105-G107 PolarHBondContact O-N 2.88Å; N105-L108 HydrophobicContact CB-CB 4.24Å; N105-L108 HydrophobicContact CB-CD1 4.24Å; N105-L108 WeakPolarHBondContact O-CB 3.48Å; N105-L108 PolarHBondContact O-N 3.24Å; N105-C129 WeakPolarHBondContact O-CA 3.32Å
106	V	96.9	Very high	97.2	Very high	92 Å²	92	39.3 Å²	39.3	56%	0.558	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	121.3	-177.4	-178.2	0	0	0	0	110.9	D104	D104-V106 PolarHBondContact O-N 2.83Å
107	G	97.1	Very high	97	Very high	29 Å²	29	36.3 Å²	36.3	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	20.3	-179.2	0	0	0	0	0	114.8	V83 N105 K109 C129 S130	V83-G107 VanDerWaalsContact CG1-O 3.28Å; V83-G107 WeakPolarHBondContact CG1-O 3.24Å; N105-G107 PolarHBondContact O-N 2.88Å; G107-K109 PolarHBondContact O-N 2.96Å; G107-C129 PolarHBondContact N-O 3.27Å; G107-S130 PolarHBondContact N-OG 3.18Å
108	L	98.1	Very high	97	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.063	20%	0.199	C	C	.	.			trans	-44.9	126.8	178.6	-180	67	0	0	0	112.1	L84 I86 L102 N105 L110 L126 C129	L84-L108 HydrophobicContact CB-CD1 3.96Å; L84-L108 HydrophobicContact CD2-CD1 4.03Å; L84-L108 HydrophobicContact CG-CD1 3.95Å; I86-L108 HydrophobicContact CG1-CD1 4.26Å; L102-L108 HydrophobicContact CB-CD2 4.26Å; L102-L108 HydrophobicContact CD1-CD2 4.49Å; N105-L108 HydrophobicContact CB-CB 4.24Å; N105-L108 HydrophobicContact CB-CD1 4.24Å; N105-L108 WeakPolarHBondContact O-CB 3.48Å; N105-L108 PolarHBondContact O-N 3.24Å; L108-L110 HydrophobicContact CD1-CD2 4.37Å; L108-L110 HydrophobicContact CD2-CD1 4.45Å; L108-L110 HydrophobicContact CD2-CD2 4.07Å; L108-L110 HydrophobicContact CD2-CG 4.29Å; L108-L110 HydrophobicContact CG-CD2 4.08Å; L108-L110 HydrophobicContact CG-CG 4.24Å; L108-L126 HydrophobicContact CD2-CD2 3.64Å; L108-C129 HydrophobicContact CB-CB 3.99Å; L108-C129 HydrophobicContact CD2-CB 4.08Å; L108-C129 PolarHBondContact N-O 3.19Å
109	K	97.3	Very high	96.8	Very high	128 Å²	128	38 Å²	38	56%	0.557	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.7	177.2	-63.5	-176.6	-178.3	176	0	110.6	V83 L84 T85 I86 G107	V83-K109 HydrophobicContact CG1-CD 4.49Å; V83-K109 HydrophobicContact CG1-CG 4.34Å; L84-K109 PolarHBondContact O-N 3.36Å; T85-K109 CarbonylContact C-O 3.43Å; T85-K109 WeakPolarHBondContact CA-O 3.24Å; T85-K109 HydrophobicContact CG2-CB 4.01Å; I86-K109 PolarHBondContact N-O 3.42Å; G107-K109 PolarHBondContact O-N 2.96Å
110	L	96.9	Very high	96.8	Very high	26 Å²	26	44 Å²	44	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127	177.3	-60.1	177.4	0	0	0	109.9	I86 L108 A114 F115 I135 Y140	I86-L110 HydrophobicContact CB-CD2 3.75Å; I86-L110 HydrophobicContact CG1-CD2 3.7Å; L108-L110 HydrophobicContact CD1-CD2 4.37Å; L108-L110 HydrophobicContact CD2-CD1 4.45Å; L108-L110 HydrophobicContact CD2-CD2 4.07Å; L108-L110 HydrophobicContact CD2-CG 4.29Å; L108-L110 HydrophobicContact CG-CD2 4.08Å; L108-L110 HydrophobicContact CG-CG 4.24Å; L110-A114 HydrophobicContact CD2-CB 4.42Å; L110-F115 HydrophobicContact CD1-CE2 3.96Å; L110-F115 HydrophobicContact CD1-CZ 3.89Å; L110-F115 HydrophobicContact CD2-CZ 4.02Å; L110-I135 HydrophobicContact CD1-CD1 3.93Å; L110-Y140 HydrophobicContact CB-CD1 4.18Å; L110-Y140 HydrophobicContact CB-CE1 4.15Å
111	E	95.5	Very high	96.8	Very high	49 Å²	49	44 Å²	44	23%	0.229	23%	0.23	C	C	.	.			trans	-81.3	154.3	167.2	-63.7	-176.4	173.8	0	0	110.8	I86 R87 N88 R113 A114	I86-E111 PolarHBondContact O-N 2.84Å; I86-E111 VanDerWaalsContact O-N 3.1Å; R87-E111 WeakPolarHBondContact CA-OE2 3.4Å; R87-E111 WeakPolarHBondContact CD-OE1 3.38Å; R87-E111 IonicContact CZ-OE1 3.95Å; R87-E111 IonicContact NE-OE1 3.39Å; R87-E111 IonicContact NH1-OE1 3.01Å; R87-E111 PolarHBondContact NH1-OE1 2.95Å; N88-E111 WeakPolarHBondContact CB-OE2 3.5Å; N88-E111 PolarHBondContact N-OE2 3.43Å; N88-E111 PolarHBondContact ND2-OE2 3.12Å; N88-E111 VanDerWaalsContact OD1-CB 3.23Å; N88-E111 WeakPolarHBondContact OD1-CB 2.97Å; E111-R113 PolarHBondContact O-N 3.2Å; E111-A114 WeakPolarHBondContact O-CB 3.35Å; E111-A114 PolarHBondContact O-N 3.26Å
112	P	92.4	Very high	96.7	Very high	81 Å²	81	48.4 Å²	48.4	53%	0.526	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.8	-170.6	-29.5	36.4	0	0	0	116.4
113	R	95	Very high	96.8	Very high	132 Å²	132	50.8 Å²	50.8	50%	0.498	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	21.4	177.1	-59.4	173.8	52	157.6	0.7	112.8	N88 D89 E111 F115 V116	N88-R113 HydrophobicContact CB-CB 4.1Å; N88-R113 WeakPolarHBondContact OD1-CA 3.38Å; N88-R113 VanDerWaalsContact OD1-CB 3.26Å; N88-R113 WeakPolarHBondContact OD1-CB 3.23Å; N88-R113 PolarHBondContact OD1-N 2.65Å; D89-R113 PolarHBondContact N-O 3.33Å; D89-R113 IonicContact OD1-CZ 3.85Å; D89-R113 VanDerWaalsContact OD1-CZ 3.24Å; D89-R113 IonicContact OD1-NE 2.89Å; D89-R113 PolarHBondContact OD1-NE 2.77Å; D89-R113 IonicContact OD1-NH2 3.71Å; D89-R113 PolarHBondContact OD1-NH2 3.03Å; D89-R113 IonicContact OD2-CZ 3.9Å; D89-R113 IonicContact OD2-NE 3.36Å; D89-R113 IonicContact OD2-NH2 3.51Å; D89-R113 PolarHBondContact OD2-NH2 2.67Å; E111-R113 PolarHBondContact O-N 3.2Å; R113-F115 VanDerWaalsContact C-N 3.31Å; R113-F115 PolarHBondContact O-N 3.5Å; R113-V116 HydrophobicContact CB-CG2 3.77Å; R113-V116 HydrophobicContact CG-CG2 4.27Å; R113-V116 PolarHBondContact O-N 2.82Å
114	A	96.5	Very high	96.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-47.8	-179.3	0	0	0	0	0	112.4	I86 F91 L110 E111 V116	I86-A114 HydrophobicContact CB-CB 4.18Å; I86-A114 HydrophobicContact CG2-CB 3.72Å; F91-A114 VanDerWaalsContact CD2-O 3.27Å; F91-A114 WeakPolarHBondContact CD2-O 3.42Å; L110-A114 HydrophobicContact CD2-CB 4.42Å; E111-A114 WeakPolarHBondContact O-CB 3.35Å; E111-A114 PolarHBondContact O-N 3.26Å; A114-V116 PolarHBondContact O-N 2.78Å
115	F	97.2	Very high	96.9	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	8.8	-173.7	-58.5	-47.3	0	0	0	115.5	F91 L100 L102 L110 R113 G117 L118 L124 L141 L144	F91-F115 HydrophobicContact CD2-CD1 4.24Å; F91-F115 HydrophobicContact CE2-CD1 4.07Å; F91-F115 HydrophobicContact CE2-CE1 4.31Å; L100-F115 HydrophobicContact CD2-CD1 4.22Å; L100-F115 HydrophobicContact CD2-CE1 3.96Å; L102-F115 HydrophobicContact CD1-CE1 3.87Å; L102-F115 HydrophobicContact CD1-CZ 4.11Å; L110-F115 HydrophobicContact CD1-CE2 3.96Å; L110-F115 HydrophobicContact CD1-CZ 3.89Å; L110-F115 HydrophobicContact CD2-CZ 4.02Å; R113-F115 VanDerWaalsContact C-N 3.31Å; R113-F115 PolarHBondContact O-N 3.5Å; F115-G117 PolarHBondContact O-N 3.38Å; F115-L118 HydrophobicContact CB-CD1 4.13Å; F115-L118 HydrophobicContact CD1-CD1 3.88Å; F115-L118 HydrophobicContact CG-CD1 4.41Å; F115-L118 WeakPolarHBondContact O-CB 3.29Å; F115-L118 PolarHBondContact O-N 3.24Å; F115-L124 HydrophobicContact CE2-CD2 4.24Å; F115-L124 HydrophobicContact CZ-CD1 4.49Å; F115-L124 HydrophobicContact CZ-CD2 4.32Å; F115-L141 HydrophobicContact CD2-CD2 4.38Å; F115-L141 HydrophobicContact CE2-CD2 4.3Å; F115-L144 HydrophobicContact CB-CD1 4.48Å; F115-L144 HydrophobicContact CB-CD2 4.03Å; F115-L144 HydrophobicContact CB-CG 4.39Å; F115-L144 HydrophobicContact CD2-CD1 4.4Å
116	V	96.1	Very high	96.9	Very high	37 Å²	37	50.9 Å²	50.9	22%	0.224	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	128.2	177.1	175.1	0	0	0	0	110.2	F91 L92 R113 A114 P143	F91-V116 CarbonylContact C-O 3.46Å; L92-V116 HydrophobicContact CD1-CG1 4.06Å; L92-V116 PolarHBondContact N-O 3.03Å; R113-V116 HydrophobicContact CB-CG2 3.77Å; R113-V116 HydrophobicContact CG-CG2 4.27Å; R113-V116 PolarHBondContact O-N 2.82Å; A114-V116 PolarHBondContact O-N 2.78Å; V116-P143 HydrophobicContact CG2-CG 3.94Å
117	G	93.9	Very high	96.9	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	111	-20.1	-178.4	0	0	0	0	0	114.1	F115 V119	F115-G117 PolarHBondContact O-N 3.38Å; G117-V119 PolarHBondContact O-N 2.89Å
118	L	97.3	Very high	97	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.234	C	C	.	.			trans	-79.9	56.9	-177.9	-63.9	-176.6	0	0	0	113.2	F91 Q94 L97 L100 F115 R120 L121 L144	F91-L118 HydrophobicContact CB-CD1 4.15Å; F91-L118 HydrophobicContact CB-CD2 3.53Å; F91-L118 HydrophobicContact CB-CG 3.66Å; F91-L118 HydrophobicContact CD1-CD2 4.48Å; F91-L118 HydrophobicContact CD2-CD1 3.78Å; F91-L118 HydrophobicContact CD2-CG 4.25Å; F91-L118 HydrophobicContact CE2-CD1 4.4Å; F91-L118 HydrophobicContact CG-CD1 4.05Å; F91-L118 HydrophobicContact CG-CD2 3.98Å; F91-L118 HydrophobicContact CG-CG 4.1Å; Q94-L118 HydrophobicContact CB-CD2 4.11Å; L97-L118 HydrophobicContact CB-CD2 3.89Å; L97-L118 HydrophobicContact CD2-CD2 3.55Å; L97-L118 HydrophobicContact CG-CD2 4.35Å; L100-L118 HydrophobicContact CD2-CD1 3.85Å; F115-L118 HydrophobicContact CB-CD1 4.13Å; F115-L118 HydrophobicContact CD1-CD1 3.88Å; F115-L118 HydrophobicContact CG-CD1 4.41Å; F115-L118 WeakPolarHBondContact O-CB 3.29Å; F115-L118 PolarHBondContact O-N 3.24Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.1Å; L118-L121 HydrophobicContact CB-CB 4.06Å; L118-L121 HydrophobicContact CB-CD2 4.5Å; L118-L121 HydrophobicContact CD1-CD2 4.06Å; L118-L121 PolarHBondContact O-N 2.83Å; L118-L144 HydrophobicContact CB-CD2 3.6Å; L118-L144 HydrophobicContact CD1-CD2 4.35Å
119	V	94.9	Very high	97	Very high	74 Å²	74	50.6 Å²	50.6	45%	0.448	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.1	-171.9	-65.2	0	0	0	0	114.8	R95 G117 S146	R95-V119 HydrophobicContact CB-CG2 4.11Å; R95-V119 HydrophobicContact CG-CG2 4.43Å; G117-V119 PolarHBondContact O-N 2.89Å; V119-S146 WeakPolarHBondContact O-CB 3.35Å; V119-S146 PolarHBondContact O-OG 3.48Å
120	R	97.6	Very high	97	Very high	144 Å²	144	46.7 Å²	46.7	54%	0.543	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	3.8	-179.6	-73.1	-177.1	176.6	-177.8	-1.5	113.9	R95 L97 L118 R122	R95-R120 WeakPolarHBondContact O-CB 3.2Å; R95-R120 WeakPolarHBondContact O-CD 3.37Å; R95-R120 WeakPolarHBondContact O-CG 3.25Å; L97-R120 CarbonylContact O-C 3.54Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.1Å; R120-R122 PolarHBondContact O-N 3.06Å
121	L	98.6	Very high	97	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.			trans	-63.7	126.9	-177.9	-165.4	78.8	0	0	0	109.9	L97 L100 L118 L124 L144 S146 L147	L97-L121 HydrophobicContact CD2-CD1 4.11Å; L97-L121 HydrophobicContact CG-CD1 4.21Å; L97-L121 VanDerWaalsContact O-CA 3.28Å; L97-L121 WeakPolarHBondContact O-CA 3.34Å; L97-L121 PolarHBondContact O-N 2.86Å; L100-L121 HydrophobicContact CB-CD1 3.66Å; L100-L121 HydrophobicContact CB-CD2 4.41Å; L118-L121 HydrophobicContact CB-CB 4.06Å; L118-L121 HydrophobicContact CB-CD2 4.5Å; L118-L121 HydrophobicContact CD1-CD2 4.06Å; L118-L121 PolarHBondContact O-N 2.83Å; L121-L124 HydrophobicContact CD2-CB 4.08Å; L121-L124 HydrophobicContact CD2-CD1 4.33Å; L121-L124 HydrophobicContact CD2-CD2 4.48Å; L121-L144 HydrophobicContact CB-CD2 4.21Å; L121-L144 HydrophobicContact CD2-CD1 4.11Å; L121-L144 HydrophobicContact CD2-CD2 3.81Å; L121-S146 CarbonylContact O-C 3.37Å; L121-S146 WeakPolarHBondContact O-CB 3.37Å; L121-L147 HydrophobicContact CD2-CD1 4.43Å; L121-L147 WeakPolarHBondContact O-CA 3.34Å; L121-L147 PolarHBondContact O-N 2.79Å; L121-L147 VanDerWaalsContact O-N 3.11Å
122	R	98.5	Very high	97	Very high	120 Å²	120	46.9 Å²	46.9	45%	0.453	23%	0.225	S	C	.	.			trans	-109.3	-42.7	179	-62.1	-175.1	-171.9	-178.7	1.5	111	T98 R120 E148 K149	T98-R122 PolarHBondContact O-N 2.86Å; R120-R122 PolarHBondContact O-N 3.06Å; R122-E148 HydrophobicContact CB-CB 4.38Å; R122-E148 HydrophobicContact CB-CG 4.44Å; R122-E148 WeakPolarHBondContact CD-OE1 3.28Å; R122-E148 IonicContact NE-OE1 3.56Å; R122-E148 PolarHBondContact O-N 3.01Å; R122-K149 PolarHBondContact O-N 2.77Å
123	D	98.8	Very high	97	Very high	49 Å²	49	45.4 Å²	45.4	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.7	-175.2	-62.3	-44.7	0	0	0	110.6	T98 T99 L100 K149	T98-D123 PolarHBondContact O-N 2.8Å; T99-D123 WeakPolarHBondContact CA-O 3.35Å; T99-D123 HydrophobicContact CG2-CB 4.2Å; L100-D123 PolarHBondContact N-O 3.01Å; D123-K149 WeakPolarHBondContact OD1-CB 3.35Å
124	L	98.8	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.6	175.6	179.8	56.8	0	0	0	110.2	L100 F115 L121 L126 L141 L144 L147 K149 L150 N151	L100-L124 HydrophobicContact CB-CD1 4.09Å; L100-L124 HydrophobicContact CD2-CD1 4Å; L100-L124 HydrophobicContact CG-CD1 4.05Å; F115-L124 HydrophobicContact CE2-CD2 4.24Å; F115-L124 HydrophobicContact CZ-CD1 4.49Å; F115-L124 HydrophobicContact CZ-CD2 4.32Å; L121-L124 HydrophobicContact CD2-CB 4.08Å; L121-L124 HydrophobicContact CD2-CD1 4.33Å; L121-L124 HydrophobicContact CD2-CD2 4.48Å; L124-L126 HydrophobicContact CD1-CD1 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.19Å; L124-L126 HydrophobicContact CD2-CD1 3.85Å; L124-L126 HydrophobicContact CD2-CG 4.42Å; L124-L126 HydrophobicContact CG-CD1 3.97Å; L124-L126 HydrophobicContact CG-CG 4.02Å; L124-L141 HydrophobicContact CD2-CD2 3.73Å; L124-L144 HydrophobicContact CD2-CD1 3.84Å; L124-L147 HydrophobicContact CB-CD1 3.82Å; L124-K149 PolarHBondContact N-O 3.39Å; L124-L150 HydrophobicContact CB-CD1 4.18Å; L124-L150 HydrophobicContact CD2-CD1 4.01Å; L124-L150 HydrophobicContact CG-CD1 4.07Å; L124-N151 PolarHBondContact O-N 3.1Å
125	W	98.8	Very high	96.9	Very high	81 Å²	81	46.1 Å²	46.1	31%	0.307	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.1	179.3	-56.3	70	0	0	0	110.1	L100 V101 L102 G103 N151	L100-W125 PolarHBondContact O-N 2.92Å; V101-W125 HydrophobicContact CB-CB 4.41Å; V101-W125 HydrophobicContact CG1-CB 4.14Å; V101-W125 HydrophobicContact CG2-CB 4.38Å; V101-W125 HydrophobicContact CG2-CG 4.13Å; L102-W125 CarbonylContact C-O 3.58Å; L102-W125 WeakPolarHBondContact CA-O 3.14Å; L102-W125 WeakPolarHBondContact CB-O 3.47Å; L102-W125 PolarHBondContact N-O 3.33Å; G103-W125 PolarHBondContact N-O 3.06Å; W125-N151 HydrophobicContact CD2-CB 4.4Å; W125-N151 HydrophobicContact CE3-CB 4.18Å; W125-N151 WeakPolarHBondContact CZ3-ND2 3.29Å
126	L	98.4	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.217	C	C	.	.			trans	-131	30.3	-178.5	-71.8	171.1	0	0	0	110.2	L102 L108 L124 C129 L131 I135 L150 N151 L152 N155	L102-L126 HydrophobicContact CB-CD2 3.88Å; L102-L126 HydrophobicContact CD1-CD2 3.89Å; L108-L126 HydrophobicContact CD2-CD2 3.64Å; L124-L126 HydrophobicContact CD1-CD1 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.19Å; L124-L126 HydrophobicContact CD2-CD1 3.85Å; L124-L126 HydrophobicContact CD2-CG 4.42Å; L124-L126 HydrophobicContact CG-CD1 3.97Å; L124-L126 HydrophobicContact CG-CG 4.02Å; L126-C129 VanDerWaalsContact C-SG 3.56Å; L126-C129 PolarHBondContact O-SG 3.27Å; L126-L131 HydrophobicContact CB-CD1 3.79Å; L126-L131 HydrophobicContact CD1-CD1 4.13Å; L126-L131 HydrophobicContact CD2-CD1 4.25Å; L126-L131 HydrophobicContact CG-CD1 4.3Å; L126-I135 HydrophobicContact CD1-CD1 4.07Å; L126-I135 HydrophobicContact CD1-CG1 4.26Å; L126-L150 HydrophobicContact CD1-CD1 4.15Å; L126-N151 CarbonylContact C-O 3.21Å; L126-N151 WeakPolarHBondContact CA-O 3.17Å; L126-N151 WeakPolarHBondContact CB-O 3.4Å; L126-N151 PolarHBondContact N-O 2.91Å; L126-L152 HydrophobicContact CB-CD2 3.83Å; L126-L152 HydrophobicContact CD1-CD2 4.19Å; L126-N155 PolarHBondContact O-ND2 2.99Å
127	D	98.4	Very high	96.5	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.16	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	145.4	178	49.8	-72.9	0	0	0	111.9	G103 D104 C129 Y153	G103-D127 CarbonylContact C-O 3.56Å; G103-D127 VanDerWaalsContact CA-O 3.24Å; G103-D127 WeakPolarHBondContact CA-O 3.44Å; D104-D127 PolarHBondContact N-O 3.1Å; D127-C129 PolarHBondContact O-N 3.45Å; D127-C129 VanDerWaalsContact O-N 3.1Å; D127-C129 PolarHBondContact O-SG 2.9Å; D127-Y153 CarbonylContact C-O 3.43Å; D127-Y153 WeakPolarHBondContact CA-O 3.42Å; D127-Y153 HydrophobicContact CB-CD1 4.22Å; D127-Y153 WeakPolarHBondContact CB-O 3.39Å
128	Y	97.9	Very high	96.2	Very high	97 Å²	97	49.2 Å²	49.2	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	35.7	-179.3	-68.6	-64.1	0	0	0	116	Y153 G154	Y128-Y153 HydrophobicContact CD2-CD1 4.02Å; Y128-Y153 HydrophobicContact CD2-CE1 4.1Å; Y128-Y153 HydrophobicContact CE1-CE1 4.4Å; Y128-Y153 AromaticContact CE2-CD1 3.6Å; Y128-Y153 HydrophobicContact CE2-CD1 3.6Å; Y128-Y153 AromaticContact CE2-CE1 3.22Å; Y128-Y153 HydrophobicContact CE2-CE1 3.22Å; Y128-Y153 AromaticContact CZ-CD1 3.92Å; Y128-Y153 AromaticContact CZ-CE1 3.37Å; Y128-Y153 PolarHBondContact N-O 3.04Å; Y128-Y153 VanDerWaalsContact OH-CE1 3.23Å; Y128-Y153 WeakPolarHBondContact OH-CE1 3.5Å; Y128-Y153 PolarHBondContact OH-OH 3Å; Y128-G154 VanDerWaalsContact CD1-O 3.29Å; Y128-G154 WeakPolarHBondContact CD1-O 3.3Å
129	C	98.1	Very high	95.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	26%	0.256	C	S	.	.	S	Bend	trans	-93.4	1.2	-177.1	-72.5	0	0	0	0	114.3	L102 N105 G107 L108 L126 D127 L131 N155	L102-C129 PolarHBondContact O-SG 3.2Å; N105-C129 WeakPolarHBondContact O-CA 3.32Å; G107-C129 PolarHBondContact N-O 3.27Å; L108-C129 HydrophobicContact CB-CB 3.99Å; L108-C129 HydrophobicContact CD2-CB 4.08Å; L108-C129 PolarHBondContact N-O 3.19Å; L126-C129 VanDerWaalsContact C-SG 3.56Å; L126-C129 PolarHBondContact O-SG 3.27Å; D127-C129 PolarHBondContact O-N 3.45Å; D127-C129 VanDerWaalsContact O-N 3.1Å; D127-C129 PolarHBondContact O-SG 2.9Å; C129-L131 HydrophobicContact CB-CD1 3.78Å; C129-L131 HydrophobicContact CB-CD2 4.36Å; C129-L131 HydrophobicContact CB-CG 3.62Å; C129-L131 PolarHBondContact O-N 2.93Å; C129-N155 PolarHBondContact N-OD1 3.12Å
130	S	97.5	Very high	95.8	Very high	45 Å²	45	52 Å²	52	32%	0.315	24%	0.242	S	C	.	.			trans	60.2	25.3	-170.9	-51.6	0	0	0	0	114.4	G107 N155	G107-S130 PolarHBondContact N-OG 3.18Å; S130-N155 PolarHBondContact N-OD1 3.23Å; S130-N155 VanDerWaalsContact N-OD1 3.14Å
131	L	96.8	Very high	95.7	Very high	18 Å²	18	45.1 Å²	45.1	9%	0.094	22%	0.216	C	C	.	.			trans	-71.4	149.9	-179.6	-60.3	170	0	0	0	111.2	L126 C129 I135 L152 N155 N156	L126-L131 HydrophobicContact CB-CD1 3.79Å; L126-L131 HydrophobicContact CD1-CD1 4.13Å; L126-L131 HydrophobicContact CD2-CD1 4.25Å; L126-L131 HydrophobicContact CG-CD1 4.3Å; C129-L131 HydrophobicContact CB-CD1 3.78Å; C129-L131 HydrophobicContact CB-CD2 4.36Å; C129-L131 HydrophobicContact CB-CG 3.62Å; C129-L131 PolarHBondContact O-N 2.93Å; L131-I135 HydrophobicContact CB-CG2 4.43Å; L131-I135 HydrophobicContact CD1-CD1 4.47Å; L131-I135 HydrophobicContact CD1-CG1 4.16Å; L131-L152 HydrophobicContact CD1-CD2 3.95Å; L131-N155 HydrophobicContact CB-CB 4.35Å; L131-N155 WeakPolarHBondContact CB-OD1 3.41Å; L131-N155 PolarHBondContact N-OD1 3Å; L131-N156 CarbonylContact O-C 3.43Å; L131-N156 WeakPolarHBondContact O-CA 3.42Å; L131-N156 WeakPolarHBondContact O-CB 3.38Å; L131-N156 PolarHBondContact O-N 3.12Å
132	T	95.6	Very high	95.5	Very high	61 Å²	61	50.3 Å²	50.3	37%	0.374	24%	0.239	S	C	.	.			trans	-114.8	-174.4	176.5	63.8	0	0	0	0	110.5	Y134 I135 N156	T132-Y134 PolarHBondContact O-N 3.25Å; T132-Y134 VanDerWaalsContact OG1-CD2 3.23Å; T132-Y134 WeakPolarHBondContact OG1-CD2 3.45Å; T132-I135 WeakPolarHBondContact O-CG2 3.36Å; T132-I135 PolarHBondContact O-N 3.27Å; T132-N156 HydrophobicContact CG2-CB 4.34Å
133	D	92.9	Very high	95.4	Very high	50 Å²	50	46.4 Å²	46.4	27%	0.267	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-28.9	-176.5	-50.7	-17	0	0	0	114.9	I135 L136 A137 V158 R159	D133-I135 PolarHBondContact O-N 3.34Å; D133-I135 VanDerWaalsContact O-N 3.15Å; D133-L136 PolarHBondContact O-N 3.27Å; D133-A137 PolarHBondContact O-N 2.78Å; D133-V158 PolarHBondContact OD1-N 3.2Å; D133-R159 PolarHBondContact OD1-N 3.24Å
134	Y	92.8	Very high	95.3	Very high	143 Å²	143	44.1 Å²	44.1	56%	0.561	22%	0.216	S	C	*	.	H	α-helix	trans	-58.7	-28.1	-177	-62.3	-68.2	0	0	0	113.8	T132 L136 A137 E138	T132-Y134 PolarHBondContact O-N 3.25Å; T132-Y134 VanDerWaalsContact OG1-CD2 3.23Å; T132-Y134 WeakPolarHBondContact OG1-CD2 3.45Å; Y134-L136 PolarHBondContact O-N 3.1Å; Y134-A137 PolarHBondContact O-N 2.9Å; Y134-E138 HydrophobicContact CD1-CG 4.18Å; Y134-E138 WeakPolarHBondContact CD1-OE1 3.42Å; Y134-E138 WeakPolarHBondContact O-CB 2.97Å; Y134-E138 PolarHBondContact O-N 2.89Å
135	I	95.5	Very high	95.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-31.5	-178.6	-171.4	60.5	0	0	0	112.8	L110 L126 L131 T132 D133 Y140 L141 L152 I157	L110-I135 HydrophobicContact CD1-CD1 3.93Å; L126-I135 HydrophobicContact CD1-CD1 4.07Å; L126-I135 HydrophobicContact CD1-CG1 4.26Å; L131-I135 HydrophobicContact CB-CG2 4.43Å; L131-I135 HydrophobicContact CD1-CD1 4.47Å; L131-I135 HydrophobicContact CD1-CG1 4.16Å; T132-I135 WeakPolarHBondContact O-CG2 3.36Å; T132-I135 PolarHBondContact O-N 3.27Å; D133-I135 PolarHBondContact O-N 3.34Å; D133-I135 VanDerWaalsContact O-N 3.15Å; I135-Y140 HydrophobicContact CD1-CD2 4.44Å; I135-Y140 HydrophobicContact CD1-CG 4.47Å; I135-L141 WeakPolarHBondContact O-CD1 3.44Å; I135-L152 HydrophobicContact CG1-CD2 4.14Å; I135-L152 HydrophobicContact CG2-CD1 4.18Å; I135-L152 HydrophobicContact CG2-CD2 4.08Å; I135-I157 HydrophobicContact CG2-CD1 4.19Å
136	L	94.6	Very high	95.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-97.1	-27.5	178.6	-64.5	173.9	0	0	0	112.9	D133 Y134 L141 L150 L152 L160 P162 G163 F166 L177	D133-L136 PolarHBondContact O-N 3.27Å; Y134-L136 PolarHBondContact O-N 3.1Å; L136-L141 HydrophobicContact CD2-CD1 4.1Å; L136-L150 HydrophobicContact CD2-CD2 3.83Å; L136-L152 HydrophobicContact CD1-CD1 4.16Å; L136-L152 HydrophobicContact CD2-CD1 3.85Å; L136-L152 HydrophobicContact CG-CD1 4.07Å; L136-L160 HydrophobicContact CD1-CD1 3.3Å; L136-P162 WeakPolarHBondContact O-CA 3.23Å; L136-G163 PolarHBondContact O-N 3.27Å; L136-F166 HydrophobicContact CD2-CE2 4.19Å; L136-F166 HydrophobicContact CD2-CZ 3.78Å; L136-L177 HydrophobicContact CD1-CD2 4.42Å
137	A	90.8	Very high	95.1	Very high	38 Å²	38	46.1 Å²	46.1	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-83.1	-39.4	-176.5	0	0	0	0	0	113.2	D133 Y134 N161	D133-A137 PolarHBondContact O-N 2.78Å; Y134-A137 PolarHBondContact O-N 2.9Å; A137-N161 WeakPolarHBondContact CA-O 3.49Å; A137-N161 WeakPolarHBondContact CB-O 3.49Å
138	E	88.6	Confident	95.1	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	24%	0.241	S	C	.	.	S	Bend	trans	-88.1	174.5	-176.5	-61	-166.9	169.8	0	0	112.7	Y134 Y140 F165	Y134-E138 HydrophobicContact CD1-CG 4.18Å; Y134-E138 WeakPolarHBondContact CD1-OE1 3.42Å; Y134-E138 WeakPolarHBondContact O-CB 2.97Å; Y134-E138 PolarHBondContact O-N 2.89Å; E138-Y140 HydrophobicContact CB-CD2 3.66Å; E138-Y140 HydrophobicContact CB-CE2 3.45Å; E138-Y140 VanDerWaalsContact CB-CE2 3.45Å; E138-Y140 HydrophobicContact CG-CE2 4.03Å; E138-Y140 PolarHBondContact O-N 3.28Å; E138-Y140 VanDerWaalsContact O-N 3.09Å; E138-Y140 WeakPolarHBondContact OE2-CE2 3.45Å; E138-Y140 PolarHBondContact OE2-OH 2.83Å; E138-F165 WeakPolarHBondContact O-CE1 3.37Å; E138-F165 WeakPolarHBondContact O-CZ 3.31Å
139	N	90.3	Very high	95.2	Very high	96 Å²	96	44.9 Å²	44.9	51%	0.513	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	13.7	-171.2	-67.3	-53.2	0	0	0	114.8	L141 K142	N139-L141 VanDerWaalsContact C-N 3.3Å; N139-L141 PolarHBondContact O-N 3.25Å; N139-K142 HydrophobicContact CB-CB 4.23Å; N139-K142 HydrophobicContact CB-CD 4.29Å; N139-K142 WeakPolarHBondContact O-CB 3.42Å; N139-K142 PolarHBondContact O-N 3.36Å; N139-K142 WeakPolarHBondContact OD1-CD 3.49Å
140	Y	92.1	Very high	95.2	Very high	36 Å²	36	44.9 Å²	44.9	14%	0.141	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-46.5	-179.4	-60.3	-76.6	0	0	0	111.8	L110 I135 E138 P143	L110-Y140 HydrophobicContact CB-CD1 4.18Å; L110-Y140 HydrophobicContact CB-CE1 4.15Å; I135-Y140 HydrophobicContact CD1-CD2 4.44Å; I135-Y140 HydrophobicContact CD1-CG 4.47Å; E138-Y140 HydrophobicContact CB-CD2 3.66Å; E138-Y140 HydrophobicContact CB-CE2 3.45Å; E138-Y140 VanDerWaalsContact CB-CE2 3.45Å; E138-Y140 HydrophobicContact CG-CE2 4.03Å; E138-Y140 PolarHBondContact O-N 3.28Å; E138-Y140 VanDerWaalsContact O-N 3.09Å; E138-Y140 WeakPolarHBondContact OE2-CE2 3.45Å; E138-Y140 PolarHBondContact OE2-OH 2.83Å; Y140-P143 WeakPolarHBondContact O-CD 3.45Å
141	L	95.6	Very high	95.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-89.1	-10.6	-174.2	-58.2	175.3	0	0	0	113.4	F115 L124 I135 L136 N139 P143 L144 L150 F165 F166	F115-L141 HydrophobicContact CD2-CD2 4.38Å; F115-L141 HydrophobicContact CE2-CD2 4.3Å; L124-L141 HydrophobicContact CD2-CD2 3.73Å; I135-L141 WeakPolarHBondContact O-CD1 3.44Å; L136-L141 HydrophobicContact CD2-CD1 4.1Å; N139-L141 VanDerWaalsContact C-N 3.3Å; N139-L141 PolarHBondContact O-N 3.25Å; L141-P143 VanDerWaalsContact C-N 3.31Å; L141-L144 HydrophobicContact CB-CD1 4.47Å; L141-L144 HydrophobicContact CD2-CD1 3.75Å; L141-L144 WeakPolarHBondContact O-CB 3.43Å; L141-L144 PolarHBondContact O-N 2.94Å; L141-L150 HydrophobicContact CD1-CD2 3.66Å; L141-F165 HydrophobicContact CB-CE2 3.86Å; L141-F165 HydrophobicContact CB-CZ 4.17Å; L141-F166 HydrophobicContact CD1-CZ 3.88Å
142	K	95.3	Very high	95.3	Very high	110 Å²	110	42.4 Å²	42.4	48%	0.478	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.9	-178.4	-179.3	174	-179.6	177.3	0	114.5	N139 L144 F165	N139-K142 HydrophobicContact CB-CB 4.23Å; N139-K142 HydrophobicContact CB-CD 4.29Å; N139-K142 WeakPolarHBondContact O-CB 3.42Å; N139-K142 PolarHBondContact O-N 3.36Å; N139-K142 WeakPolarHBondContact OD1-CD 3.49Å; K142-L144 PolarHBondContact O-N 2.96Å; K142-F165 HydrophobicContact CB-CB 4.18Å; K142-F165 HydrophobicContact CB-CD1 4.37Å; K142-F165 HydrophobicContact CB-CD2 4.08Å; K142-F165 HydrophobicContact CB-CG 3.95Å; K142-F165 HydrophobicContact CD-CB 4.21Å; K142-F165 HydrophobicContact CG-CB 3.92Å; K142-F165 HydrophobicContact CG-CG 4.25Å
143	P	95.7	Very high	95.4	Very high	38 Å²	38	43 Å²	43	25%	0.247	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.5	178.4	-21	34.7	0	0	0	115.1	V116 Y140 L141 L145	V116-P143 HydrophobicContact CG2-CG 3.94Å; Y140-P143 WeakPolarHBondContact O-CD 3.45Å; L141-P143 VanDerWaalsContact C-N 3.31Å; P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 2.92Å
144	L	97	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.			trans	-88.4	58.5	-165.6	-57.1	178.1	0	0	0	113	F115 L118 L121 L124 L141 K142 S146 L147 L169	F115-L144 HydrophobicContact CB-CD1 4.48Å; F115-L144 HydrophobicContact CB-CD2 4.03Å; F115-L144 HydrophobicContact CB-CG 4.39Å; F115-L144 HydrophobicContact CD2-CD1 4.4Å; L118-L144 HydrophobicContact CB-CD2 3.6Å; L118-L144 HydrophobicContact CD1-CD2 4.35Å; L121-L144 HydrophobicContact CB-CD2 4.21Å; L121-L144 HydrophobicContact CD2-CD1 4.11Å; L121-L144 HydrophobicContact CD2-CD2 3.81Å; L124-L144 HydrophobicContact CD2-CD1 3.84Å; L141-L144 HydrophobicContact CB-CD1 4.47Å; L141-L144 HydrophobicContact CD2-CD1 3.75Å; L141-L144 WeakPolarHBondContact O-CB 3.43Å; L141-L144 PolarHBondContact O-N 2.94Å; K142-L144 PolarHBondContact O-N 2.96Å; L144-S146 PolarHBondContact O-N 3.04Å; L144-L147 HydrophobicContact CB-CB 4.04Å; L144-L147 HydrophobicContact CD1-CD1 4.43Å; L144-L147 HydrophobicContact CD1-CD2 4.35Å; L144-L147 WeakPolarHBondContact O-CB 3.48Å; L144-L147 PolarHBondContact O-N 3.05Å; L144-L169 VanDerWaalsContact O-CD2 3.3Å; L144-L169 WeakPolarHBondContact O-CD2 3.3Å
145	L	95.9	Very high	95.9	Very high	98 Å²	98	34.6 Å²	34.6	51%	0.513	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.5	-173.6	-61.2	178.8	0	0	0	115.3	P143 L169	P143-L145 VanDerWaalsContact C-N 3.34Å; P143-L145 PolarHBondContact O-N 2.92Å; L145-L169 HydrophobicContact CD2-CD2 4.04Å
146	S	97.8	Very high	96	Very high	25 Å²	25	37.5 Å²	37.5	18%	0.175	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.7	178.7	-63.3	0	0	0	0	114	V119 L121 L144 E148	V119-S146 WeakPolarHBondContact O-CB 3.35Å; V119-S146 PolarHBondContact O-OG 3.48Å; L121-S146 CarbonylContact O-C 3.37Å; L121-S146 WeakPolarHBondContact O-CB 3.37Å; L144-S146 PolarHBondContact O-N 3.04Å; S146-E148 PolarHBondContact O-N 2.77Å
147	L	98.4	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.			trans	-62.3	128.2	-173.3	-168.2	71.3	0	0	0	110.7	L121 L124 L144 L150 K171 F172	L121-L147 HydrophobicContact CD2-CD1 4.43Å; L121-L147 WeakPolarHBondContact O-CA 3.34Å; L121-L147 PolarHBondContact O-N 2.79Å; L121-L147 VanDerWaalsContact O-N 3.11Å; L124-L147 HydrophobicContact CB-CD1 3.82Å; L144-L147 HydrophobicContact CB-CB 4.04Å; L144-L147 HydrophobicContact CD1-CD1 4.43Å; L144-L147 HydrophobicContact CD1-CD2 4.35Å; L144-L147 WeakPolarHBondContact O-CB 3.48Å; L144-L147 PolarHBondContact O-N 3.05Å; L147-L150 HydrophobicContact CD2-CB 4.39Å; L147-K171 CarbonylContact O-C 3.54Å; L147-F172 HydrophobicContact CD2-CD2 4.11Å; L147-F172 HydrophobicContact CD2-CE2 4.27Å; L147-F172 HydrophobicContact CG-CD2 4.24Å; L147-F172 WeakPolarHBondContact O-CA 2.95Å; L147-F172 PolarHBondContact O-N 2.97Å
148	E	98.4	Very high	96.1	Very high	62 Å²	62	37.9 Å²	37.9	29%	0.29	19%	0.192	S	C	.	.			trans	-110.2	-43.8	179.4	-73.7	172.5	-154	0	0	110.4	R122 S146 K171 S173 K174	R122-E148 HydrophobicContact CB-CB 4.38Å; R122-E148 HydrophobicContact CB-CG 4.44Å; R122-E148 WeakPolarHBondContact CD-OE1 3.28Å; R122-E148 IonicContact NE-OE1 3.56Å; R122-E148 PolarHBondContact O-N 3.01Å; S146-E148 PolarHBondContact O-N 2.77Å; E148-K171 HydrophobicContact CG-CB 3.92Å; E148-S173 PolarHBondContact O-N 3.05Å; E148-S173 VanDerWaalsContact O-N 3.07Å; E148-K174 PolarHBondContact O-N 3.31Å
149	K	98.7	Very high	96.1	Very high	40 Å²	40	39.9 Å²	39.9	17%	0.174	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.6	-177.7	-173	-173.9	176.2	-170.4	0	112.1	R122 D123 L124 K174	R122-K149 PolarHBondContact O-N 2.77Å; D123-K149 WeakPolarHBondContact OD1-CB 3.35Å; L124-K149 PolarHBondContact N-O 3.39Å; K149-K174 WeakPolarHBondContact CA-O 3.14Å; K149-K174 HydrophobicContact CB-CB 4.05Å; K149-K174 HydrophobicContact CG-CB 3.93Å
150	L	98.6	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.8	169.9	179.8	59.1	0	0	0	109.7	L124 L126 L136 L141 L147 L152 F172 K174 L175 I176	L124-L150 HydrophobicContact CB-CD1 4.18Å; L124-L150 HydrophobicContact CD2-CD1 4.01Å; L124-L150 HydrophobicContact CG-CD1 4.07Å; L126-L150 HydrophobicContact CD1-CD1 4.15Å; L136-L150 HydrophobicContact CD2-CD2 3.83Å; L141-L150 HydrophobicContact CD1-CD2 3.66Å; L147-L150 HydrophobicContact CD2-CB 4.39Å; L150-L152 HydrophobicContact CD1-CG 4.27Å; L150-L152 HydrophobicContact CD2-CD1 3.79Å; L150-L152 HydrophobicContact CD2-CG 4.28Å; L150-L152 HydrophobicContact CG-CD1 4.01Å; L150-L152 HydrophobicContact CG-CG 3.96Å; L150-F172 HydrophobicContact CB-CE2 3.62Å; L150-F172 HydrophobicContact CB-CZ 4.11Å; L150-F172 HydrophobicContact CD2-CZ 4.46Å; L150-K174 PolarHBondContact N-O 2.91Å; L150-L175 HydrophobicContact CB-CD1 4.21Å; L150-L175 HydrophobicContact CD2-CD1 4.12Å; L150-L175 HydrophobicContact CG-CD1 4.21Å; L150-I176 PolarHBondContact O-N 2.89Å
151	N	98.7	Very high	96.2	Very high	12 Å²	12	37 Å²	37	6%	0.064	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	115.6	173.7	-171.9	2.7	0	0	0	110.6	L124 W125 L126 Y153 I176	L124-N151 PolarHBondContact O-N 3.1Å; W125-N151 HydrophobicContact CD2-CB 4.4Å; W125-N151 HydrophobicContact CE3-CB 4.18Å; W125-N151 WeakPolarHBondContact CZ3-ND2 3.29Å; L126-N151 CarbonylContact C-O 3.21Å; L126-N151 WeakPolarHBondContact CA-O 3.17Å; L126-N151 WeakPolarHBondContact CB-O 3.4Å; L126-N151 PolarHBondContact N-O 2.91Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.5Å; N151-Y153 PolarHBondContact OD1-N 3.42Å; N151-I176 HydrophobicContact CB-CD1 4.44Å
152	L	98.4	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.			trans	-121.4	24	176.8	-69.9	168.3	0	0	0	111.5	L126 L131 I135 L136 L150 N155 I157 L175 I176 L177 N180	L126-L152 HydrophobicContact CB-CD2 3.83Å; L126-L152 HydrophobicContact CD1-CD2 4.19Å; L131-L152 HydrophobicContact CD1-CD2 3.95Å; I135-L152 HydrophobicContact CG1-CD2 4.14Å; I135-L152 HydrophobicContact CG2-CD1 4.18Å; I135-L152 HydrophobicContact CG2-CD2 4.08Å; L136-L152 HydrophobicContact CD1-CD1 4.16Å; L136-L152 HydrophobicContact CD2-CD1 3.85Å; L136-L152 HydrophobicContact CG-CD1 4.07Å; L150-L152 HydrophobicContact CD1-CG 4.27Å; L150-L152 HydrophobicContact CD2-CD1 3.79Å; L150-L152 HydrophobicContact CD2-CG 4.28Å; L150-L152 HydrophobicContact CG-CD1 4.01Å; L150-L152 HydrophobicContact CG-CG 3.96Å; L152-N155 VanDerWaalsContact C-ND2 3.26Å; L152-N155 PolarHBondContact O-ND2 3.06Å; L152-I157 HydrophobicContact CB-CD1 4.08Å; L152-I157 HydrophobicContact CD1-CD1 3.94Å; L152-I157 HydrophobicContact CG-CD1 4.43Å; L152-L175 HydrophobicContact CD1-CD1 4.24Å; L152-I176 CarbonylContact C-O 3.46Å; L152-I176 WeakPolarHBondContact CA-O 3.41Å; L152-I176 WeakPolarHBondContact CB-O 3.39Å; L152-I176 PolarHBondContact N-O 3Å; L152-L177 HydrophobicContact CB-CD2 3.93Å; L152-L177 HydrophobicContact CD1-CD2 3.97Å; L152-N180 PolarHBondContact O-ND2 3.11Å
153	Y	98.3	Very high	96.2	Very high	74 Å²	74	32.6 Å²	32.6	29%	0.29	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	136.3	176.3	176.1	-100.1	0	0	0	112.7	D127 Y128 N151 N155 D178 L179	D127-Y153 CarbonylContact C-O 3.43Å; D127-Y153 WeakPolarHBondContact CA-O 3.42Å; D127-Y153 HydrophobicContact CB-CD1 4.22Å; D127-Y153 WeakPolarHBondContact CB-O 3.39Å; Y128-Y153 HydrophobicContact CD2-CD1 4.02Å; Y128-Y153 HydrophobicContact CD2-CE1 4.1Å; Y128-Y153 HydrophobicContact CE1-CE1 4.4Å; Y128-Y153 AromaticContact CE2-CD1 3.6Å; Y128-Y153 HydrophobicContact CE2-CD1 3.6Å; Y128-Y153 AromaticContact CE2-CE1 3.22Å; Y128-Y153 HydrophobicContact CE2-CE1 3.22Å; Y128-Y153 AromaticContact CZ-CD1 3.92Å; Y128-Y153 AromaticContact CZ-CE1 3.37Å; Y128-Y153 PolarHBondContact N-O 3.04Å; Y128-Y153 VanDerWaalsContact OH-CE1 3.23Å; Y128-Y153 WeakPolarHBondContact OH-CE1 3.5Å; Y128-Y153 PolarHBondContact OH-OH 3Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.5Å; N151-Y153 PolarHBondContact OD1-N 3.42Å; Y153-N155 PolarHBondContact O-N 3.04Å; Y153-N155 PolarHBondContact O-ND2 2.97Å; Y153-D178 CarbonylContact C-O 3.39Å; Y153-D178 WeakPolarHBondContact CA-O 3.46Å; Y153-D178 HydrophobicContact CD2-CB 3.68Å; Y153-D178 HydrophobicContact CE2-CB 3.97Å; Y153-L179 HydrophobicContact CE1-CD1 4.31Å; Y153-L179 HydrophobicContact CE2-CB 4.3Å; Y153-L179 HydrophobicContact CE2-CD1 3.67Å; Y153-L179 HydrophobicContact CE2-CG 3.99Å; Y153-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y153-L179 WeakPolarHBondContact OH-CD1 3.32Å
154	G	97.6	Very high	96	Very high	12 Å²	12	37 Å²	37	12%	0.124	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	30.3	170.7	0	0	0	0	0	115.3	Y128 D178 L179	Y128-G154 VanDerWaalsContact CD1-O 3.29Å; Y128-G154 WeakPolarHBondContact CD1-O 3.3Å; G154-D178 PolarHBondContact N-O 2.9Å; G154-L179 WeakPolarHBondContact CA-O 3.42Å
155	N	98.1	Very high	95.9	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	19%	0.189	C	C	.	.			trans	-100.8	-175.6	176.6	-77.6	-72.6	0	0	0	112.1	L126 C129 S130 L131 L152 Y153 I157 N180	L126-N155 PolarHBondContact O-ND2 2.99Å; C129-N155 PolarHBondContact N-OD1 3.12Å; S130-N155 PolarHBondContact N-OD1 3.23Å; S130-N155 VanDerWaalsContact N-OD1 3.14Å; L131-N155 HydrophobicContact CB-CB 4.35Å; L131-N155 WeakPolarHBondContact CB-OD1 3.41Å; L131-N155 PolarHBondContact N-OD1 3Å; L152-N155 VanDerWaalsContact C-ND2 3.26Å; L152-N155 PolarHBondContact O-ND2 3.06Å; Y153-N155 PolarHBondContact O-N 3.04Å; Y153-N155 PolarHBondContact O-ND2 2.97Å; N155-I157 HydrophobicContact CB-CD1 4.4Å; N155-I157 HydrophobicContact CB-CG1 4.24Å; N155-N180 WeakPolarHBondContact CA-OD1 3.22Å; N155-N180 VanDerWaalsContact CB-OD1 3.23Å; N155-N180 WeakPolarHBondContact CB-OD1 3.37Å; N155-N180 PolarHBondContact N-OD1 3.04Å; N155-N180 PolarHBondContact O-OD1 2.61Å; N155-N180 VanDerWaalsContact O-OD1 3.04Å
156	N	96.6	Very high	95.9	Very high	68 Å²	68	33.1 Å²	33.1	36%	0.364	17%	0.165	S	C	.	.			trans	-105.4	37.8	-177.8	-59.8	-35.4	0	0	0	111.4	L131 T132	L131-N156 CarbonylContact O-C 3.43Å; L131-N156 WeakPolarHBondContact O-CA 3.42Å; L131-N156 WeakPolarHBondContact O-CB 3.38Å; L131-N156 PolarHBondContact O-N 3.12Å; T132-N156 HydrophobicContact CG2-CB 4.34Å
157	I	95.1	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.			trans	-79.9	125.2	-180	-56.2	169.6	0	0	0	108.9	I135 L152 N155 L177 N180 Q181 L182	I135-I157 HydrophobicContact CG2-CD1 4.19Å; L152-I157 HydrophobicContact CB-CD1 4.08Å; L152-I157 HydrophobicContact CD1-CD1 3.94Å; L152-I157 HydrophobicContact CG-CD1 4.43Å; N155-I157 HydrophobicContact CB-CD1 4.4Å; N155-I157 HydrophobicContact CB-CG1 4.24Å; I157-L177 HydrophobicContact CD1-CD2 3.66Å; I157-N180 HydrophobicContact CB-CB 4.3Å; I157-N180 VanDerWaalsContact CB-OD1 3.29Å; I157-N180 WeakPolarHBondContact CB-OD1 3.47Å; I157-N180 WeakPolarHBondContact CG1-OD1 3.31Å; I157-N180 PolarHBondContact N-OD1 3.46Å; I157-N180 VanDerWaalsContact N-OD1 3.12Å; I157-Q181 CarbonylContact O-C 3.37Å; I157-Q181 WeakPolarHBondContact O-CA 3.49Å; I157-Q181 PolarHBondContact O-N 3.47Å; I157-L182 HydrophobicContact CG2-CD2 3.85Å; I157-L182 PolarHBondContact O-N 2.74Å
158	V	92.3	Very high	95.6	Very high	47 Å²	47	42.7 Å²	42.7	29%	0.285	21%	0.205	S	C	.	.			trans	-108.3	-37	-177.4	-177.7	0	0	0	0	110.9	D133 Q181 L182 E183	D133-V158 PolarHBondContact OD1-N 3.2Å; V158-Q181 HydrophobicContact CG2-CB 4.2Å; V158-L182 WeakPolarHBondContact O-CA 3.37Å; V158-E183 HydrophobicContact CG1-CG 3.9Å; V158-E183 PolarHBondContact O-N 2.95Å
159	R	90.1	Very high	95.4	Very high	117 Å²	117	39.8 Å²	39.8	44%	0.442	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-126.2	125.4	178.7	-170.8	174.6	179.3	-170.8	-3.8	111.7	D133 N161 D189	D133-R159 PolarHBondContact OD1-N 3.24Å; R159-N161 PolarHBondContact O-N 3.15Å; R159-D189 IonicContact CZ-OD1 3.33Å; R159-D189 VanDerWaalsContact CZ-OD1 3.22Å; R159-D189 IonicContact NE-OD1 2.91Å; R159-D189 PolarHBondContact NE-OD1 3.03Å; R159-D189 IonicContact NH2-OD1 3.77Å; R159-D189 PolarHBondContact NH2-OD1 3.22Å
160	L	91.9	Very high	95.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.218	C	C	.	.			trans	-83.5	94.2	175.9	-171.2	56.8	0	0	0	110.1	L136 L177 L182 D189 L190 F193	L136-L160 HydrophobicContact CD1-CD1 3.3Å; L160-L177 HydrophobicContact CD1-CD1 3.7Å; L160-L177 HydrophobicContact CD2-CD1 3.92Å; L160-L177 HydrophobicContact CG-CD1 4.47Å; L160-L182 HydrophobicContact CB-CD2 4.01Å; L160-D189 WeakPolarHBondContact O-CB 3.04Å; L160-L190 HydrophobicContact CB-CD2 4.03Å; L160-L190 HydrophobicContact CD2-CD2 3.52Å; L160-L190 HydrophobicContact CG-CD2 3.45Å; L160-L190 VanDerWaalsContact CG-CD2 3.45Å; L160-F193 HydrophobicContact CD1-CE2 4.32Å; L160-F193 HydrophobicContact CD2-CE2 4.49Å; L160-F193 HydrophobicContact CG-CE2 4.49Å
161	N	92.3	Very high	95.2	Very high	68 Å²	68	48.2 Å²	48.2	36%	0.364	24%	0.238	S	C	.	.			trans	-126.2	74.3	-179.2	-176.6	24.9	0	0	0	111.5	A137 R159 G163	A137-N161 WeakPolarHBondContact CA-O 3.49Å; A137-N161 WeakPolarHBondContact CB-O 3.49Å; R159-N161 PolarHBondContact O-N 3.15Å; N161-G163 PolarHBondContact O-N 2.87Å
162	P	95.6	Very high	95.2	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.032	24%	0.236	C	C	.	.			trans	-62	132.2	177.6	27.2	-38.3	0	0	0	112.6	L136 F166 D189 L190 F193	L136-P162 WeakPolarHBondContact O-CA 3.23Å; P162-F166 HydrophobicContact CB-CD2 3.61Å; P162-F166 HydrophobicContact CB-CE2 3.88Å; P162-F166 HydrophobicContact CB-CG 4.42Å; P162-D189 WeakPolarHBondContact CD-O 3.04Å; P162-L190 HydrophobicContact CG-CD2 4.41Å; P162-F193 HydrophobicContact CB-CD1 3.77Å; P162-F193 HydrophobicContact CB-CD2 4.24Å; P162-F193 HydrophobicContact CB-CE1 3.45Å; P162-F193 VanDerWaalsContact CB-CE1 3.45Å; P162-F193 HydrophobicContact CB-CE2 3.95Å; P162-F193 HydrophobicContact CB-CG 4.15Å; P162-F193 HydrophobicContact CB-CZ 3.55Å; P162-F193 HydrophobicContact CG-CD1 3.92Å; P162-F193 HydrophobicContact CG-CD2 3.68Å; P162-F193 HydrophobicContact CG-CE1 3.98Å; P162-F193 HydrophobicContact CG-CE2 3.73Å; P162-F193 HydrophobicContact CG-CG 3.77Å; P162-F193 HydrophobicContact CG-CZ 3.89Å
163	G	94.4	Very high	95.1	Very high	14 Å²	14	49.2 Å²	49.2	14%	0.144	25%	0.246	C	C	.	.			trans	-64.3	153.2	173.1	0	0	0	0	0	112.9	L136 N161 F165 F166	L136-G163 PolarHBondContact O-N 3.27Å; N161-G163 PolarHBondContact O-N 2.87Å; G163-F165 PolarHBondContact O-N 3.09Å; G163-F166 WeakPolarHBondContact O-CD2 3.39Å; G163-F166 PolarHBondContact O-N 2.94Å; G163-F166 VanDerWaalsContact O-N 3.15Å
164	Q	92.9	Very high	95.1	Very high	130 Å²	130	49.6 Å²	49.6	61%	0.607	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-59.4	-17	-178.5	-69.1	178.4	-6.1	0	0	114.4	F166 W167	Q164-F166 PolarHBondContact O-N 2.96Å; Q164-W167 HydrophobicContact CB-CD2 4.44Å; Q164-W167 HydrophobicContact CB-CE3 3.97Å; Q164-W167 HydrophobicContact CB-CH2 4.04Å; Q164-W167 HydrophobicContact CB-CZ2 4.48Å; Q164-W167 HydrophobicContact CB-CZ3 3.76Å; Q164-W167 HydrophobicContact CG-CH2 3.68Å; Q164-W167 HydrophobicContact CG-CZ2 4.13Å; Q164-W167 HydrophobicContact CG-CZ3 3.89Å; Q164-W167 PolarHBondContact O-N 3.05Å
165	F	93.8	Very high	95.2	Very high	17 Å²	17	49 Å²	49	8%	0.075	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-63.9	-20	177.7	64.5	-97.8	0	0	0	113.2	E138 L141 K142 G163 W167 N168 L169	E138-F165 WeakPolarHBondContact O-CE1 3.37Å; E138-F165 WeakPolarHBondContact O-CZ 3.31Å; L141-F165 HydrophobicContact CB-CE2 3.86Å; L141-F165 HydrophobicContact CB-CZ 4.17Å; K142-F165 HydrophobicContact CB-CB 4.18Å; K142-F165 HydrophobicContact CB-CD1 4.37Å; K142-F165 HydrophobicContact CB-CD2 4.08Å; K142-F165 HydrophobicContact CB-CG 3.95Å; K142-F165 HydrophobicContact CD-CB 4.21Å; K142-F165 HydrophobicContact CG-CB 3.92Å; K142-F165 HydrophobicContact CG-CG 4.25Å; G163-F165 PolarHBondContact O-N 3.09Å; F165-W167 PolarHBondContact O-N 3.41Å; F165-N168 WeakPolarHBondContact O-CB 3.46Å; F165-N168 PolarHBondContact O-N 3.02Å; F165-L169 HydrophobicContact CD2-CD1 4.42Å; F165-L169 HydrophobicContact CE2-CD1 4.42Å
166	F	96.4	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.1	-26	176.3	-86.1	-78.2	0	0	0	112.7	L136 L141 P162 G163 Q164 N168 L169 F172 G192 F193 K196	L136-F166 HydrophobicContact CD2-CE2 4.19Å; L136-F166 HydrophobicContact CD2-CZ 3.78Å; L141-F166 HydrophobicContact CD1-CZ 3.88Å; P162-F166 HydrophobicContact CB-CD2 3.61Å; P162-F166 HydrophobicContact CB-CE2 3.88Å; P162-F166 HydrophobicContact CB-CG 4.42Å; G163-F166 WeakPolarHBondContact O-CD2 3.39Å; G163-F166 PolarHBondContact O-N 2.94Å; G163-F166 VanDerWaalsContact O-N 3.15Å; Q164-F166 PolarHBondContact O-N 2.96Å; F166-N168 PolarHBondContact O-N 2.85Å; F166-L169 HydrophobicContact CD1-CD1 3.69Å; F166-L169 HydrophobicContact CD1-CG 4.44Å; F166-L169 HydrophobicContact CE1-CD1 3.86Å; F166-L169 HydrophobicContact CG-CD1 4.46Å; F166-L169 PolarHBondContact O-N 3.11Å; F166-F172 AromaticContact CD1-CD1 3.78Å; F166-F172 HydrophobicContact CD1-CD1 3.78Å; F166-F172 AromaticContact CD1-CE1 3.91Å; F166-F172 HydrophobicContact CD1-CE1 3.91Å; F166-F172 HydrophobicContact CD1-CG 4.44Å; F166-F172 AromaticContact CE1-CD1 3.88Å; F166-F172 HydrophobicContact CE1-CD1 3.88Å; F166-F172 AromaticContact CE1-CE1 3.64Å; F166-F172 HydrophobicContact CE1-CE1 3.64Å; F166-F172 HydrophobicContact CE1-CG 4.42Å; F166-F172 HydrophobicContact CE1-CZ 4.03Å; F166-G192 WeakPolarHBondContact CB-O 3.24Å; F166-F193 HydrophobicContact CB-CD1 4.03Å; F166-F193 HydrophobicContact CB-CE1 4.16Å; F166-F193 HydrophobicContact CD1-CD1 4.21Å; F166-F193 AromaticContact CD1-CE1 3.58Å; F166-F193 HydrophobicContact CD1-CE1 3.58Å; F166-F193 HydrophobicContact CD2-CD1 4.44Å; F166-F193 AromaticContact CD2-CE1 3.83Å; F166-F193 HydrophobicContact CD2-CE1 3.83Å; F166-F193 AromaticContact CE1-CE1 3.83Å; F166-F193 HydrophobicContact CE1-CE1 3.83Å; F166-F193 HydrophobicContact CE2-CE1 4.05Å; F166-F193 AromaticContact CG-CD1 3.99Å; F166-F193 HydrophobicContact CG-CD1 3.99Å; F166-F193 AromaticContact CG-CE1 3.59Å; F166-F193 HydrophobicContact CG-CE1 3.59Å; F166-F193 HydrophobicContact CZ-CE1 4.05Å; F166-F193 HydrophobicContact CZ-CZ 4.48Å; F166-K196 WeakPolarHBondContact O-CE 3.37Å; F166-K196 PolarHBondContact O-NZ 2.85Å
167	W	94.1	Very high	95.2	Very high	113 Å²	113	46.7 Å²	46.7	43%	0.428	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-54	-37.7	172	-61.5	-30.9	0	0	0	112.3	Q164 F165 L169 V191	Q164-W167 HydrophobicContact CB-CD2 4.44Å; Q164-W167 HydrophobicContact CB-CE3 3.97Å; Q164-W167 HydrophobicContact CB-CH2 4.04Å; Q164-W167 HydrophobicContact CB-CZ2 4.48Å; Q164-W167 HydrophobicContact CB-CZ3 3.76Å; Q164-W167 HydrophobicContact CG-CH2 3.68Å; Q164-W167 HydrophobicContact CG-CZ2 4.13Å; Q164-W167 HydrophobicContact CG-CZ3 3.89Å; Q164-W167 PolarHBondContact O-N 3.05Å; F165-W167 PolarHBondContact O-N 3.41Å; W167-L169 VanDerWaalsContact C-N 3.34Å; W167-L169 PolarHBondContact O-N 3.22Å; W167-V191 HydrophobicContact CZ2-CG1 4.07Å; W167-V191 PolarHBondContact NE1-O 3.21Å; W167-V191 VanDerWaalsContact NE1-O 3.09Å
168	N	94.6	Very high	95.3	Very high	112 Å²	112	47.7 Å²	47.7	60%	0.599	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-78.4	-14.7	179.3	-65.9	-19.3	0	0	0	113.7	F165 F166 T170	F165-N168 WeakPolarHBondContact O-CB 3.46Å; F165-N168 PolarHBondContact O-N 3.02Å; F166-N168 PolarHBondContact O-N 2.85Å; N168-T170 VanDerWaalsContact C-N 3.28Å; N168-T170 PolarHBondContact O-N 2.88Å
169	L	96.1	Very high	95.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.241	C	C	.	.			trans	-83.6	67.9	178.4	-58.7	-168.8	0	0	0	110.8	L144 L145 F165 F166 W167 K171 F172 K196	L144-L169 VanDerWaalsContact O-CD2 3.3Å; L144-L169 WeakPolarHBondContact O-CD2 3.3Å; L145-L169 HydrophobicContact CD2-CD2 4.04Å; F165-L169 HydrophobicContact CD2-CD1 4.42Å; F165-L169 HydrophobicContact CE2-CD1 4.42Å; F166-L169 HydrophobicContact CD1-CD1 3.69Å; F166-L169 HydrophobicContact CD1-CG 4.44Å; F166-L169 HydrophobicContact CE1-CD1 3.86Å; F166-L169 HydrophobicContact CG-CD1 4.46Å; F166-L169 PolarHBondContact O-N 3.11Å; W167-L169 VanDerWaalsContact C-N 3.34Å; W167-L169 PolarHBondContact O-N 3.22Å; L169-K171 PolarHBondContact O-N 3.43Å; L169-F172 HydrophobicContact CB-CB 3.88Å; L169-F172 VanDerWaalsContact O-CB 3.31Å; L169-F172 WeakPolarHBondContact O-CB 3.19Å; L169-F172 PolarHBondContact O-N 2.9Å; L169-F172 VanDerWaalsContact O-N 3.1Å; L169-K196 VanDerWaalsContact C-NZ 3.27Å; L169-K196 PolarHBondContact O-NZ 2.7Å
170	T	95	Very high	95.7	Very high	118 Å²	118	43.8 Å²	43.8	72%	0.724	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23	-169.3	55.7	0	0	0	0	114.8	N168	N168-T170 VanDerWaalsContact C-N 3.28Å; N168-T170 PolarHBondContact O-N 2.88Å
171	K	97	Very high	95.7	Very high	99 Å²	99	48.8 Å²	48.8	43%	0.43	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-12.9	177.2	-62.6	-171	179.1	-176.7	0	114.4	L147 E148 L169 S173	L147-K171 CarbonylContact O-C 3.54Å; E148-K171 HydrophobicContact CG-CB 3.92Å; L169-K171 PolarHBondContact O-N 3.43Å; K171-S173 PolarHBondContact O-N 3.16Å; K171-S173 VanDerWaalsContact O-N 3.14Å; K171-S173 PolarHBondContact O-OG 3.26Å
172	F	98	Very high	95.6	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	23%	0.228	C	C	.	.			trans	-67.1	114.9	-174.7	-177.6	-115.8	0	0	0	110.2	L147 L150 F166 L169 L175 F193 F198	L147-F172 HydrophobicContact CD2-CD2 4.11Å; L147-F172 HydrophobicContact CD2-CE2 4.27Å; L147-F172 HydrophobicContact CG-CD2 4.24Å; L147-F172 WeakPolarHBondContact O-CA 2.95Å; L147-F172 PolarHBondContact O-N 2.97Å; L150-F172 HydrophobicContact CB-CE2 3.62Å; L150-F172 HydrophobicContact CB-CZ 4.11Å; L150-F172 HydrophobicContact CD2-CZ 4.46Å; F166-F172 AromaticContact CD1-CD1 3.78Å; F166-F172 HydrophobicContact CD1-CD1 3.78Å; F166-F172 AromaticContact CD1-CE1 3.91Å; F166-F172 HydrophobicContact CD1-CE1 3.91Å; F166-F172 HydrophobicContact CD1-CG 4.44Å; F166-F172 AromaticContact CE1-CD1 3.88Å; F166-F172 HydrophobicContact CE1-CD1 3.88Å; F166-F172 AromaticContact CE1-CE1 3.64Å; F166-F172 HydrophobicContact CE1-CE1 3.64Å; F166-F172 HydrophobicContact CE1-CG 4.42Å; F166-F172 HydrophobicContact CE1-CZ 4.03Å; L169-F172 HydrophobicContact CB-CB 3.88Å; L169-F172 VanDerWaalsContact O-CB 3.31Å; L169-F172 WeakPolarHBondContact O-CB 3.19Å; L169-F172 PolarHBondContact O-N 2.9Å; L169-F172 VanDerWaalsContact O-N 3.1Å; F172-L175 HydrophobicContact CE1-CB 4.49Å; F172-L175 HydrophobicContact CZ-CB 3.9Å; F172-L175 HydrophobicContact CZ-CD1 4.22Å; F172-L175 HydrophobicContact CZ-CD2 4.32Å; F172-L175 HydrophobicContact CZ-CG 4.37Å; F172-F193 HydrophobicContact CD1-CE1 4.5Å; F172-F193 AromaticContact CE1-CE1 3.87Å; F172-F193 HydrophobicContact CE1-CE1 3.87Å; F172-F193 HydrophobicContact CE1-CZ 4.25Å; F172-F198 AromaticContact CD1-CE1 3.96Å; F172-F198 HydrophobicContact CD1-CE1 3.96Å; F172-F198 HydrophobicContact CD1-CZ 4.27Å; F172-F198 AromaticContact CE1-CE1 3.57Å; F172-F198 HydrophobicContact CE1-CE1 3.57Å; F172-F198 AromaticContact CE1-CZ 3.94Å; F172-F198 HydrophobicContact CE1-CZ 3.94Å; F172-F198 HydrophobicContact CZ-CE1 4.25Å
173	S	97.8	Very high	95.1	Very high	30 Å²	30	49.8 Å²	49.8	21%	0.21	25%	0.247	C	C	.	.			trans	-142.4	-11.1	-170.3	59.9	0	0	0	0	114.1	E148 K171 F198 H199 L200	E148-S173 PolarHBondContact O-N 3.05Å; E148-S173 VanDerWaalsContact O-N 3.07Å; K171-S173 PolarHBondContact O-N 3.16Å; K171-S173 VanDerWaalsContact O-N 3.14Å; K171-S173 PolarHBondContact O-OG 3.26Å; S173-F198 CarbonylContact O-C 3.14Å; S173-F198 WeakPolarHBondContact O-CA 3.16Å; S173-H199 PolarHBondContact O-N 3.47Å; S173-L200 PolarHBondContact O-N 2.87Å
174	K	98.8	Very high	94.6	Very high	82 Å²	82	52.3 Å²	52.3	36%	0.357	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.9	178.7	-63.6	178.6	178.8	173.4	0	110.9	E148 K149 L150 H199 L200	E148-K174 PolarHBondContact O-N 3.31Å; K149-K174 WeakPolarHBondContact CA-O 3.14Å; K149-K174 HydrophobicContact CB-CB 4.05Å; K149-K174 HydrophobicContact CG-CB 3.93Å; L150-K174 PolarHBondContact N-O 2.91Å; K174-H199 WeakPolarHBondContact CE-CD2 3.11Å; K174-H199 HydrophobicContact CG-CB 4.27Å; K174-L200 CarbonylContact C-O 3.43Å; K174-L200 WeakPolarHBondContact CA-O 3.47Å; K174-L200 HydrophobicContact CB-CB 4.49Å; K174-L200 HydrophobicContact CG-CB 4.2Å
175	L	98.5	Very high	94.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.8	177.2	178.3	54.5	0	0	0	109.9	L150 L152 F172 L177 F193 F198 L200 L201 S202	L150-L175 HydrophobicContact CB-CD1 4.21Å; L150-L175 HydrophobicContact CD2-CD1 4.12Å; L150-L175 HydrophobicContact CG-CD1 4.21Å; L152-L175 HydrophobicContact CD1-CD1 4.24Å; F172-L175 HydrophobicContact CE1-CB 4.49Å; F172-L175 HydrophobicContact CZ-CB 3.9Å; F172-L175 HydrophobicContact CZ-CD1 4.22Å; F172-L175 HydrophobicContact CZ-CD2 4.32Å; F172-L175 HydrophobicContact CZ-CG 4.37Å; L175-L177 HydrophobicContact CD1-CD1 4.29Å; L175-L177 HydrophobicContact CD1-CD2 4.43Å; L175-L177 HydrophobicContact CD1-CG 4Å; L175-L177 HydrophobicContact CD2-CD1 3.74Å; L175-L177 HydrophobicContact CD2-CG 4.36Å; L175-L177 HydrophobicContact CG-CD1 3.85Å; L175-L177 HydrophobicContact CG-CG 3.95Å; L175-F193 HydrophobicContact CD2-CE2 3.75Å; L175-F193 HydrophobicContact CD2-CZ 3.67Å; L175-F198 HydrophobicContact CB-CD1 4.44Å; L175-F198 HydrophobicContact CB-CE1 4.04Å; L175-L200 PolarHBondContact N-O 3.42Å; L175-L201 HydrophobicContact CB-CD1 3.95Å; L175-L201 HydrophobicContact CD2-CD1 3.89Å; L175-L201 HydrophobicContact CG-CD1 3.97Å; L175-S202 PolarHBondContact O-N 3.33Å
176	I	98.6	Very high	94.1	Very high	22 Å²	22	45.5 Å²	45.5	11%	0.113	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.4	177.7	-56	170.5	0	0	0	108	L150 N151 L152 L200	L150-I176 PolarHBondContact O-N 2.89Å; N151-I176 HydrophobicContact CB-CD1 4.44Å; L152-I176 CarbonylContact C-O 3.46Å; L152-I176 WeakPolarHBondContact CA-O 3.41Å; L152-I176 WeakPolarHBondContact CB-O 3.39Å; L152-I176 PolarHBondContact N-O 3Å; I176-L200 HydrophobicContact CG1-CD2 4.34Å
177	L	97.1	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.			trans	-123.4	22.3	-179	-74.3	163.8	0	0	0	111.5	L136 L152 I157 L160 L175 N180 L201 S202 L203 N206	L136-L177 HydrophobicContact CD1-CD2 4.42Å; L152-L177 HydrophobicContact CB-CD2 3.93Å; L152-L177 HydrophobicContact CD1-CD2 3.97Å; I157-L177 HydrophobicContact CD1-CD2 3.66Å; L160-L177 HydrophobicContact CD1-CD1 3.7Å; L160-L177 HydrophobicContact CD2-CD1 3.92Å; L160-L177 HydrophobicContact CG-CD1 4.47Å; L175-L177 HydrophobicContact CD1-CD1 4.29Å; L175-L177 HydrophobicContact CD1-CD2 4.43Å; L175-L177 HydrophobicContact CD1-CG 4Å; L175-L177 HydrophobicContact CD2-CD1 3.74Å; L175-L177 HydrophobicContact CD2-CG 4.36Å; L175-L177 HydrophobicContact CG-CD1 3.85Å; L175-L177 HydrophobicContact CG-CG 3.95Å; L177-N180 VanDerWaalsContact C-ND2 3.34Å; L177-N180 PolarHBondContact O-ND2 3.37Å; L177-L201 HydrophobicContact CD1-CD1 4.48Å; L177-S202 WeakPolarHBondContact CB-O 3.39Å; L177-S202 PolarHBondContact N-O 3.23Å; L177-L203 HydrophobicContact CB-CD2 4.12Å; L177-L203 HydrophobicContact CD1-CD2 3.84Å; L177-N206 PolarHBondContact O-ND2 2.78Å
178	D	96.8	Very high	93.6	Very high	22 Å²	22	50 Å²	50	12%	0.118	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	155	-175.1	-34.3	-37.8	0	0	0	111.6	Y153 G154 N180 S202 R204	Y153-D178 CarbonylContact C-O 3.39Å; Y153-D178 WeakPolarHBondContact CA-O 3.46Å; Y153-D178 HydrophobicContact CD2-CB 3.68Å; Y153-D178 HydrophobicContact CE2-CB 3.97Å; G154-D178 PolarHBondContact N-O 2.9Å; D178-N180 PolarHBondContact O-N 3.36Å; D178-N180 PolarHBondContact O-ND2 3.23Å; D178-N180 VanDerWaalsContact O-ND2 3.16Å; D178-S202 VanDerWaalsContact CG-OG 3.3Å; D178-S202 VanDerWaalsContact OD1-C 3.22Å; D178-S202 WeakPolarHBondContact OD1-CB 3.23Å; D178-S202 PolarHBondContact OD1-OG 3.23Å; D178-S202 PolarHBondContact OD2-OG 2.04Å; D178-R204 CarbonylContact C-O 3.55Å; D178-R204 WeakPolarHBondContact CA-O 3.48Å; D178-R204 HydrophobicContact CB-CB 3.87Å; D178-R204 VanDerWaalsContact CB-O 3.32Å; D178-R204 WeakPolarHBondContact CB-O 3.11Å; D178-R204 WeakPolarHBondContact OD1-CB 3.08Å; D178-R204 PolarHBondContact OD1-N 3.11Å
179	L	95.6	Very high	93.3	Very high	73 Å²	73	45 Å²	45	38%	0.382	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	41.9	-178.6	-65.4	178.3	0	0	0	113.6	Y153 G154 R204 S205	Y153-L179 HydrophobicContact CE1-CD1 4.31Å; Y153-L179 HydrophobicContact CE2-CB 4.3Å; Y153-L179 HydrophobicContact CE2-CD1 3.67Å; Y153-L179 HydrophobicContact CE2-CG 3.99Å; Y153-L179 VanDerWaalsContact CZ-CD1 3.44Å; Y153-L179 WeakPolarHBondContact OH-CD1 3.32Å; G154-L179 WeakPolarHBondContact CA-O 3.42Å; L179-R204 PolarHBondContact N-O 2.88Å; L179-S205 VanDerWaalsContact CD2-CB 3.42Å
180	N	95.4	Very high	93.2	Very high	8 Å²	8	45 Å²	45	4%	0.043	22%	0.22	C	C	.	.			trans	-101.5	-171.2	166.5	-80.8	-91.6	0	0	0	110.1	L152 N155 I157 L177 D178 N206	L152-N180 PolarHBondContact O-ND2 3.11Å; N155-N180 WeakPolarHBondContact CA-OD1 3.22Å; N155-N180 VanDerWaalsContact CB-OD1 3.23Å; N155-N180 WeakPolarHBondContact CB-OD1 3.37Å; N155-N180 PolarHBondContact N-OD1 3.04Å; N155-N180 PolarHBondContact O-OD1 2.61Å; N155-N180 VanDerWaalsContact O-OD1 3.04Å; I157-N180 HydrophobicContact CB-CB 4.3Å; I157-N180 VanDerWaalsContact CB-OD1 3.29Å; I157-N180 WeakPolarHBondContact CB-OD1 3.47Å; I157-N180 WeakPolarHBondContact CG1-OD1 3.31Å; I157-N180 PolarHBondContact N-OD1 3.46Å; I157-N180 VanDerWaalsContact N-OD1 3.12Å; L177-N180 VanDerWaalsContact C-ND2 3.34Å; L177-N180 PolarHBondContact O-ND2 3.37Å; D178-N180 PolarHBondContact O-N 3.36Å; D178-N180 PolarHBondContact O-ND2 3.23Å; D178-N180 VanDerWaalsContact O-ND2 3.16Å; N180-N206 WeakPolarHBondContact CA-OD1 3.47Å; N180-N206 WeakPolarHBondContact CB-OD1 3.34Å; N180-N206 PolarHBondContact O-OD1 3.06Å
181	Q	91	Very high	93.1	Very high	107 Å²	107	41.8 Å²	41.8	50%	0.5	20%	0.2	S	C	.	.			trans	-114.1	32.1	-177.1	-61	-179	4.6	0	0	111.5	I157 V158 E183	I157-Q181 CarbonylContact O-C 3.37Å; I157-Q181 WeakPolarHBondContact O-CA 3.49Å; I157-Q181 PolarHBondContact O-N 3.47Å; V158-Q181 HydrophobicContact CG2-CB 4.2Å; Q181-E183 PolarHBondContact O-N 3.46Å
182	L	90.8	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.			trans	-59.3	126.9	-177.5	-65.2	173	0	0	0	110.8	I157 V158 L160 L203 N206 S207 F208	I157-L182 HydrophobicContact CG2-CD2 3.85Å; I157-L182 PolarHBondContact O-N 2.74Å; V158-L182 WeakPolarHBondContact O-CA 3.37Å; L160-L182 HydrophobicContact CB-CD2 4.01Å; L182-L203 HydrophobicContact CD1-CD2 4.06Å; L182-N206 HydrophobicContact CB-CB 4.02Å; L182-N206 WeakPolarHBondContact CB-OD1 3.17Å; L182-N206 VanDerWaalsContact CG-OD1 3.28Å; L182-N206 WeakPolarHBondContact CG-OD1 3.21Å; L182-N206 PolarHBondContact N-OD1 3.27Å; L182-N206 VanDerWaalsContact N-OD1 3.12Å; L182-S207 CarbonylContact O-C 3.41Å; L182-S207 PolarHBondContact O-N 2.87Å; L182-F208 HydrophobicContact CB-CD1 4.07Å; L182-F208 WeakPolarHBondContact O-CA 3.02Å; L182-F208 WeakPolarHBondContact O-CB 3.41Å; L182-F208 PolarHBondContact O-N 2.56Å
183	E	84.9	Confident	92.8	Very high	95 Å²	95	37 Å²	37	44%	0.444	18%	0.18	S	C	.	.			trans	-102	-33.9	-176.3	-67.1	-172.5	153.5	0	0	113.9	V158 Q181 F208 R210	V158-E183 HydrophobicContact CG1-CG 3.9Å; V158-E183 PolarHBondContact O-N 2.95Å; Q181-E183 PolarHBondContact O-N 3.46Å; E183-F208 VanDerWaalsContact C-CB 3.5Å; E183-F208 VanDerWaalsContact O-CA 3.23Å; E183-F208 WeakPolarHBondContact O-CA 3.28Å; E183-F208 WeakPolarHBondContact O-CB 3.35Å; E183-R210 IonicContact OE1-NH1 3.59Å; E183-R210 PolarHBondContact OE1-NH1 3.03Å
184	K	83.8	Confident	92.7	Very high	66 Å²	66	38 Å²	38	29%	0.287	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-154.4	151.4	178.5	-170.2	175.6	-160.6	-169.3	0	110.2	C186 V213 D214 C218	K184-C186 VanDerWaalsContact CD-SG 3.55Å; K184-C186 WeakPolarHBondContact CE-SG 3.14Å; K184-V213 HydrophobicContact CB-CG1 4.39Å; K184-V213 HydrophobicContact CD-CG1 3.81Å; K184-V213 VanDerWaalsContact CE-CG1 3.46Å; K184-V213 HydrophobicContact CG-CG1 3.71Å; K184-D214 WeakPolarHBondContact CE-O 3.28Å; K184-D214 PolarHBondContact NZ-O 3.23Å; K184-C218 VanDerWaalsContact CE-SG 3.57Å
185	I	88	Confident	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.			trans	-132.8	112.7	172.8	-53.8	177.9	0	0	0	108.4	L190 L203 F208 W215 C218 P221	I185-L190 HydrophobicContact CG2-CD1 3.38Å; I185-L190 HydrophobicContact CG2-CD2 4.22Å; I185-L190 HydrophobicContact CG2-CG 3.78Å; I185-L203 HydrophobicContact CD1-CD1 3.72Å; I185-F208 HydrophobicContact CD1-CD1 4.3Å; I185-F208 HydrophobicContact CD1-CD2 4.23Å; I185-F208 HydrophobicContact CD1-CE1 4.27Å; I185-F208 HydrophobicContact CD1-CE2 4.14Å; I185-F208 HydrophobicContact CD1-CG 4.3Å; I185-F208 HydrophobicContact CD1-CZ 4.19Å; I185-F208 HydrophobicContact CG1-CD2 4.5Å; I185-F208 HydrophobicContact CG1-CG 4.45Å; I185-W215 VanDerWaalsContact O-CZ3 3.28Å; I185-W215 WeakPolarHBondContact O-CZ3 2.98Å; I185-C218 PolarHBondContact O-SG 3.38Å; I185-P221 HydrophobicContact CG2-CB 3.77Å
186	C	88.4	Confident	92.3	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.027	20%	0.198	C	C	.	.			trans	-118.2	165	176.3	-66.5	0	0	0	0	114.2	K184 K188 D189 L190 C218	K184-C186 VanDerWaalsContact CD-SG 3.55Å; K184-C186 WeakPolarHBondContact CE-SG 3.14Å; C186-K188 HydrophobicContact CB-CG 4.2Å; C186-K188 PolarHBondContact O-N 3.07Å; C186-D189 WeakPolarHBondContact CB-OD2 3.26Å; C186-D189 PolarHBondContact N-OD2 3.32Å; C186-D189 VanDerWaalsContact N-OD2 3.1Å; C186-D189 WeakPolarHBondContact O-CB 3.39Å; C186-D189 PolarHBondContact O-N 2.76Å; C186-L190 PolarHBondContact O-N 2.74Å; C186-C218 WeakPolarHBondContact CA-SG 3.21Å; C186-C218 HydrophobicContact CB-CB 4.06Å; C186-C218 WeakPolarHBondContact CB-O 3.48Å; C186-C218 WeakPolarHBondContact CB-SG 3.3Å; C186-C218 WeakPolarHBondContact SG-CA 3.35Å; C186-C218 WeakPolarHBondContact SG-CB 3.12Å; C186-C218 CovalentContact SG-SG 2.04Å; C186-C218 PolarHBondContact SG-SG 3.05Å
187	E	90.3	Very high	92.3	Very high	54 Å²	54	43.2 Å²	43.2	25%	0.252	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-44.7	177.3	-175.5	174.1	152.4	0	0	111.5	D189 L190 C218 G219 N220 K223	E187-D189 PolarHBondContact O-N 3.31Å; E187-L190 PolarHBondContact O-N 3.03Å; E187-C218 WeakPolarHBondContact CB-O 3.46Å; E187-C218 PolarHBondContact N-O 2.76Å; E187-G219 WeakPolarHBondContact OE2-CA 3.21Å; E187-N220 VanDerWaalsContact CB-O 3.31Å; E187-N220 WeakPolarHBondContact CB-O 3.19Å; E187-N220 WeakPolarHBondContact CG-O 3.41Å; E187-N220 PolarHBondContact OE2-N 3.03Å; E187-K223 VanDerWaalsContact CD-CD 3.48Å; E187-K223 HydrophobicContact CG-CB 4.34Å; E187-K223 HydrophobicContact CG-CD 4.15Å; E187-K223 WeakPolarHBondContact OE1-CD 3.37Å; E187-K223 IonicContact OE1-NZ 3.85Å; E187-K223 PolarHBondContact OE1-NZ 3.34Å
188	K	89.1	Confident	92.3	Very high	154 Å²	154	43.2 Å²	43.2	67%	0.67	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.4	178.7	68.9	-179.3	-179.5	-176	0	114.3	C186	C186-K188 HydrophobicContact CB-CG 4.2Å; C186-K188 PolarHBondContact O-N 3.07Å
189	D	89.5	Confident	92.4	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-32.4	-177.4	-59.6	-46.9	0	0	0	111	R159 L160 P162 C186 E187	R159-D189 IonicContact CZ-OD1 3.33Å; R159-D189 VanDerWaalsContact CZ-OD1 3.22Å; R159-D189 IonicContact NE-OD1 2.91Å; R159-D189 PolarHBondContact NE-OD1 3.03Å; R159-D189 IonicContact NH2-OD1 3.77Å; R159-D189 PolarHBondContact NH2-OD1 3.22Å; L160-D189 WeakPolarHBondContact O-CB 3.04Å; P162-D189 WeakPolarHBondContact CD-O 3.04Å; C186-D189 WeakPolarHBondContact CB-OD2 3.26Å; C186-D189 PolarHBondContact N-OD2 3.32Å; C186-D189 VanDerWaalsContact N-OD2 3.1Å; C186-D189 WeakPolarHBondContact O-CB 3.39Å; C186-D189 PolarHBondContact O-N 2.76Å; E187-D189 PolarHBondContact O-N 3.31Å
190	L	93.4	Very high	92.6	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.22	C	C	.	.			trans	-98.8	16.7	-174.1	-60.4	-168.3	0	0	0	115.4	L160 P162 I185 C186 E187 G192 F193 P221 F222 M225	L160-L190 HydrophobicContact CB-CD2 4.03Å; L160-L190 HydrophobicContact CD2-CD2 3.52Å; L160-L190 HydrophobicContact CG-CD2 3.45Å; L160-L190 VanDerWaalsContact CG-CD2 3.45Å; P162-L190 HydrophobicContact CG-CD2 4.41Å; I185-L190 HydrophobicContact CG2-CD1 3.38Å; I185-L190 HydrophobicContact CG2-CD2 4.22Å; I185-L190 HydrophobicContact CG2-CG 3.78Å; C186-L190 PolarHBondContact O-N 2.74Å; E187-L190 PolarHBondContact O-N 3.03Å; L190-G192 PolarHBondContact O-N 3.35Å; L190-G192 VanDerWaalsContact O-N 3.11Å; L190-F193 HydrophobicContact CD2-CD2 4.24Å; L190-F193 PolarHBondContact O-N 2.92Å; L190-P221 WeakPolarHBondContact CB-O 3.48Å; L190-P221 HydrophobicContact CD1-CB 4.35Å; L190-P221 WeakPolarHBondContact CD1-O 3.45Å; L190-F222 HydrophobicContact CD1-CD1 3.83Å; L190-F222 HydrophobicContact CD1-CE1 3.76Å; L190-M225 HydrophobicContact CB-SD 4.44Å
191	V	91.8	Very high	92.7	Very high	49 Å²	49	43.7 Å²	43.7	30%	0.297	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-53.9	-36.3	-179.1	178.1	0	0	0	0	112.5	W167 F193 Q194	W167-V191 HydrophobicContact CZ2-CG1 4.07Å; W167-V191 PolarHBondContact NE1-O 3.21Å; W167-V191 VanDerWaalsContact NE1-O 3.09Å; V191-F193 PolarHBondContact O-N 2.95Å; V191-Q194 PolarHBondContact O-N 2.78Å
192	G	93.9	Very high	93	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.021	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-64.5	-18	177	0	0	0	0	0	115	F166 L190	F166-G192 WeakPolarHBondContact CB-O 3.24Å; L190-G192 PolarHBondContact O-N 3.35Å; L190-G192 VanDerWaalsContact O-N 3.11Å
193	F	96.3	Very high	93.2	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-102.5	-0.1	177.1	-66.4	-27.3	0	0	0	114.3	L160 P162 F166 F172 L175 L190 V191 G195 K196 F198 M225	L160-F193 HydrophobicContact CD1-CE2 4.32Å; L160-F193 HydrophobicContact CD2-CE2 4.49Å; L160-F193 HydrophobicContact CG-CE2 4.49Å; P162-F193 HydrophobicContact CB-CD1 3.77Å; P162-F193 HydrophobicContact CB-CD2 4.24Å; P162-F193 HydrophobicContact CB-CE1 3.45Å; P162-F193 VanDerWaalsContact CB-CE1 3.45Å; P162-F193 HydrophobicContact CB-CE2 3.95Å; P162-F193 HydrophobicContact CB-CG 4.15Å; P162-F193 HydrophobicContact CB-CZ 3.55Å; P162-F193 HydrophobicContact CG-CD1 3.92Å; P162-F193 HydrophobicContact CG-CD2 3.68Å; P162-F193 HydrophobicContact CG-CE1 3.98Å; P162-F193 HydrophobicContact CG-CE2 3.73Å; P162-F193 HydrophobicContact CG-CG 3.77Å; P162-F193 HydrophobicContact CG-CZ 3.89Å; F166-F193 HydrophobicContact CB-CD1 4.03Å; F166-F193 HydrophobicContact CB-CE1 4.16Å; F166-F193 HydrophobicContact CD1-CD1 4.21Å; F166-F193 AromaticContact CD1-CE1 3.58Å; F166-F193 HydrophobicContact CD1-CE1 3.58Å; F166-F193 HydrophobicContact CD2-CD1 4.44Å; F166-F193 AromaticContact CD2-CE1 3.83Å; F166-F193 HydrophobicContact CD2-CE1 3.83Å; F166-F193 AromaticContact CE1-CE1 3.83Å; F166-F193 HydrophobicContact CE1-CE1 3.83Å; F166-F193 HydrophobicContact CE2-CE1 4.05Å; F166-F193 AromaticContact CG-CD1 3.99Å; F166-F193 HydrophobicContact CG-CD1 3.99Å; F166-F193 AromaticContact CG-CE1 3.59Å; F166-F193 HydrophobicContact CG-CE1 3.59Å; F166-F193 HydrophobicContact CZ-CE1 4.05Å; F166-F193 HydrophobicContact CZ-CZ 4.48Å; F172-F193 HydrophobicContact CD1-CE1 4.5Å; F172-F193 AromaticContact CE1-CE1 3.87Å; F172-F193 HydrophobicContact CE1-CE1 3.87Å; F172-F193 HydrophobicContact CE1-CZ 4.25Å; L175-F193 HydrophobicContact CD2-CE2 3.75Å; L175-F193 HydrophobicContact CD2-CZ 3.67Å; L190-F193 HydrophobicContact CD2-CD2 4.24Å; L190-F193 PolarHBondContact O-N 2.92Å; V191-F193 PolarHBondContact O-N 2.95Å; F193-G195 PolarHBondContact O-N 3.07Å; F193-K196 HydrophobicContact CB-CG 4.41Å; F193-K196 WeakPolarHBondContact O-CB 3.46Å; F193-K196 WeakPolarHBondContact O-CG 3.47Å; F193-K196 PolarHBondContact O-N 3.07Å; F193-K196 VanDerWaalsContact O-N 3.07Å; F193-F198 HydrophobicContact CB-CE2 4.16Å; F193-F198 HydrophobicContact CB-CZ 4.39Å; F193-F198 HydrophobicContact CD1-CZ 4.06Å; F193-F198 HydrophobicContact CD2-CE2 4.36Å; F193-F198 HydrophobicContact CD2-CZ 4.09Å; F193-F198 HydrophobicContact CE1-CZ 4.32Å; F193-F198 HydrophobicContact CE2-CZ 4.36Å; F193-F198 HydrophobicContact CG-CE2 4.18Å; F193-F198 AromaticContact CG-CZ 3.95Å; F193-F198 HydrophobicContact CG-CZ 3.95Å; F193-F198 HydrophobicContact CZ-CZ 4.47Å; F193-M225 HydrophobicContact CB-CE 3.76Å; F193-M225 HydrophobicContact CB-SD 3.99Å; F193-M225 HydrophobicContact CD2-CE 4.39Å; F193-M225 WeakPolarHBondContact O-CG 3.32Å
194	Q	94.5	Very high	93.6	Very high	51 Å²	51	40.6 Å²	40.6	24%	0.238	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	139.3	175.3	-72.7	178.7	-18.7	0	0	111.4	V191 K196	V191-Q194 PolarHBondContact O-N 2.78Å; Q194-K196 VanDerWaalsContact C-N 3.29Å; Q194-K196 PolarHBondContact O-N 3.1Å
195	G	94.1	Very high	94.1	Very high	62 Å²	62	39.3 Å²	39.3	64%	0.639	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	2.3	-175	0	0	0	0	0	114.9	F193 E224	F193-G195 PolarHBondContact O-N 3.07Å; G195-E224 WeakPolarHBondContact CA-O 3.46Å; G195-E224 PolarHBondContact N-O 2.82Å
196	K	95.9	Very high	94.2	Very high	17 Å²	17	39.4 Å²	39.4	7%	0.074	20%	0.198	C	C	.	.			trans	-84	139.3	177.8	-66.6	-66.1	179.4	-162	0	112.7	F166 L169 F193 Q194 F198 M225 A226	F166-K196 WeakPolarHBondContact O-CE 3.37Å; F166-K196 PolarHBondContact O-NZ 2.85Å; L169-K196 VanDerWaalsContact C-NZ 3.27Å; L169-K196 PolarHBondContact O-NZ 2.7Å; F193-K196 HydrophobicContact CB-CG 4.41Å; F193-K196 WeakPolarHBondContact O-CB 3.46Å; F193-K196 WeakPolarHBondContact O-CG 3.47Å; F193-K196 PolarHBondContact O-N 3.07Å; F193-K196 VanDerWaalsContact O-N 3.07Å; Q194-K196 VanDerWaalsContact C-N 3.29Å; Q194-K196 PolarHBondContact O-N 3.1Å; K196-F198 HydrophobicContact CB-CD2 4.01Å; K196-F198 HydrophobicContact CB-CE2 3.6Å; K196-F198 HydrophobicContact CB-CZ 4.23Å; K196-F198 HydrophobicContact CG-CE2 4.26Å; K196-F198 HydrophobicContact CG-CZ 4.47Å; K196-M225 WeakPolarHBondContact O-CA 3.23Å; K196-A226 PolarHBondContact O-N 3.48Å; K196-A226 VanDerWaalsContact O-N 3.15Å
197	Y	97.4	Very high	93.9	Very high	133 Å²	133	41.7 Å²	41.7	52%	0.522	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.9	161.6	178.9	-96.7	0	0	0	109.1	A226 N228	Y197-A226 CarbonylContact C-O 3.23Å; Y197-A226 WeakPolarHBondContact CA-O 3.21Å; Y197-A226 HydrophobicContact CD2-CB 3.81Å; Y197-A226 HydrophobicContact CE2-CB 4.4Å; Y197-N228 HydrophobicContact CE1-CB 4.46Å; Y197-N228 WeakPolarHBondContact OH-CB 3.31Å
198	F	98.3	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.3	176.1	-76.9	-83.2	0	0	0	109.9	F172 S173 L175 F193 K196 L200 L201 M225 A226 F227 N228	F172-F198 AromaticContact CD1-CE1 3.96Å; F172-F198 HydrophobicContact CD1-CE1 3.96Å; F172-F198 HydrophobicContact CD1-CZ 4.27Å; F172-F198 AromaticContact CE1-CE1 3.57Å; F172-F198 HydrophobicContact CE1-CE1 3.57Å; F172-F198 AromaticContact CE1-CZ 3.94Å; F172-F198 HydrophobicContact CE1-CZ 3.94Å; F172-F198 HydrophobicContact CZ-CE1 4.25Å; S173-F198 CarbonylContact O-C 3.14Å; S173-F198 WeakPolarHBondContact O-CA 3.16Å; L175-F198 HydrophobicContact CB-CD1 4.44Å; L175-F198 HydrophobicContact CB-CE1 4.04Å; F193-F198 HydrophobicContact CB-CE2 4.16Å; F193-F198 HydrophobicContact CB-CZ 4.39Å; F193-F198 HydrophobicContact CD1-CZ 4.06Å; F193-F198 HydrophobicContact CD2-CE2 4.36Å; F193-F198 HydrophobicContact CD2-CZ 4.09Å; F193-F198 HydrophobicContact CE1-CZ 4.32Å; F193-F198 HydrophobicContact CE2-CZ 4.36Å; F193-F198 HydrophobicContact CG-CE2 4.18Å; F193-F198 AromaticContact CG-CZ 3.95Å; F193-F198 HydrophobicContact CG-CZ 3.95Å; F193-F198 HydrophobicContact CZ-CZ 4.47Å; K196-F198 HydrophobicContact CB-CD2 4.01Å; K196-F198 HydrophobicContact CB-CE2 3.6Å; K196-F198 HydrophobicContact CB-CZ 4.23Å; K196-F198 HydrophobicContact CG-CE2 4.26Å; K196-F198 HydrophobicContact CG-CZ 4.47Å; F198-L200 VanDerWaalsContact C-N 3.26Å; F198-L201 HydrophobicContact CB-CB 4.33Å; F198-L201 HydrophobicContact CG-CB 4.39Å; F198-M225 HydrophobicContact CD2-CE 4Å; F198-M225 HydrophobicContact CE2-CE 3.61Å; F198-A226 PolarHBondContact N-O 3.17Å; F198-F227 HydrophobicContact CB-CD1 3.69Å; F198-F227 HydrophobicContact CB-CE1 4.03Å; F198-F227 HydrophobicContact CD2-CD1 4.31Å; F198-F227 AromaticContact CD2-CE1 3.78Å; F198-F227 HydrophobicContact CD2-CE1 3.78Å; F198-F227 HydrophobicContact CG-CD1 4.36Å; F198-F227 HydrophobicContact CG-CE1 4.2Å; F198-F227 CarbonylContact O-C 3.24Å; F198-F227 WeakPolarHBondContact O-CA 3.45Å; F198-N228 PolarHBondContact O-N 2.93Å
199	H	98.4	Very high	92.7	Very high	73 Å²	73	32 Å²	32	34%	0.338	17%	0.172	S	C	.	.	S	Bend	trans	-65.9	-34.7	164.6	-176.7	85.7	0	0	0	111.1	S173 K174 N228 I229	S173-H199 PolarHBondContact O-N 3.47Å; K174-H199 WeakPolarHBondContact CE-CD2 3.11Å; K174-H199 HydrophobicContact CG-CB 4.27Å; H199-N228 PolarHBondContact CE1-ND2 2.88Å; H199-N228 PolarHBondContact ND1-ND2 3.07Å; H199-N228 WeakPolarHBondContact O-CB 3.43Å; H199-I229 PolarHBondContact O-N 3.48Å; H199-I229 VanDerWaalsContact O-N 3.16Å
200	L	98.6	Very high	91.7	Very high	40 Å²	40	37.4 Å²	37.4	21%	0.209	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	123.2	172.6	176.1	64.3	0	0	0	110.1	S173 K174 L175 I176 F198 I229	S173-L200 PolarHBondContact O-N 2.87Å; K174-L200 CarbonylContact C-O 3.43Å; K174-L200 WeakPolarHBondContact CA-O 3.47Å; K174-L200 HydrophobicContact CB-CB 4.49Å; K174-L200 HydrophobicContact CG-CB 4.2Å; L175-L200 PolarHBondContact N-O 3.42Å; I176-L200 HydrophobicContact CG1-CD2 4.34Å; F198-L200 VanDerWaalsContact C-N 3.26Å; L200-I229 WeakPolarHBondContact CA-O 3.36Å; L200-I229 HydrophobicContact CD1-CB 3.79Å; L200-I229 HydrophobicContact CD1-CG2 3.62Å
201	L	98	Very high	90.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.4	159	177.7	61.4	0	0	0	108	L175 L177 F198 L203 F222 F227 I229 L230 D231	L175-L201 HydrophobicContact CB-CD1 3.95Å; L175-L201 HydrophobicContact CD2-CD1 3.89Å; L175-L201 HydrophobicContact CG-CD1 3.97Å; L177-L201 HydrophobicContact CD1-CD1 4.48Å; F198-L201 HydrophobicContact CB-CB 4.33Å; F198-L201 HydrophobicContact CG-CB 4.39Å; L201-L203 HydrophobicContact CD1-CD2 4.05Å; L201-L203 HydrophobicContact CD1-CG 4.44Å; L201-L203 HydrophobicContact CD2-CD1 4.34Å; L201-L203 HydrophobicContact CD2-CG 4.48Å; L201-L203 HydrophobicContact CG-CD1 4.49Å; L201-L203 HydrophobicContact CG-CD2 4.26Å; L201-L203 HydrophobicContact CG-CG 4.12Å; L201-F222 HydrophobicContact CD2-CE1 4.21Å; L201-F227 HydrophobicContact CB-CD1 3.86Å; L201-F227 HydrophobicContact CB-CE1 3.8Å; L201-F227 HydrophobicContact CD2-CD1 4.35Å; L201-F227 HydrophobicContact CD2-CE1 3.5Å; L201-F227 HydrophobicContact CD2-CZ 4.08Å; L201-F227 HydrophobicContact CG-CE1 4.29Å; L201-I229 PolarHBondContact N-O 2.98Å; L201-L230 HydrophobicContact CB-CD1 4.21Å; L201-L230 HydrophobicContact CD2-CD1 4.02Å; L201-L230 HydrophobicContact CG-CD1 4.18Å; L201-D231 PolarHBondContact O-N 2.81Å
202	S	97.7	Very high	88.9	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.3	178.3	-163.7	0	0	0	0	110	L175 L177 D178	L175-S202 PolarHBondContact O-N 3.33Å; L177-S202 WeakPolarHBondContact CB-O 3.39Å; L177-S202 PolarHBondContact N-O 3.23Å; D178-S202 VanDerWaalsContact CG-OG 3.3Å; D178-S202 VanDerWaalsContact OD1-C 3.22Å; D178-S202 WeakPolarHBondContact OD1-CB 3.23Å; D178-S202 PolarHBondContact OD1-OG 3.23Å; D178-S202 PolarHBondContact OD2-OG 2.04Å
203	L	94.8	Very high	87.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.			trans	-117.8	23	-178.5	-60.2	178.1	0	0	0	110.7	L177 L182 I185 L201 N206 F208 D231 I232 S235	L177-L203 HydrophobicContact CB-CD2 4.12Å; L177-L203 HydrophobicContact CD1-CD2 3.84Å; L182-L203 HydrophobicContact CD1-CD2 4.06Å; I185-L203 HydrophobicContact CD1-CD1 3.72Å; L201-L203 HydrophobicContact CD1-CD2 4.05Å; L201-L203 HydrophobicContact CD1-CG 4.44Å; L201-L203 HydrophobicContact CD2-CD1 4.34Å; L201-L203 HydrophobicContact CD2-CG 4.48Å; L201-L203 HydrophobicContact CG-CD1 4.49Å; L201-L203 HydrophobicContact CG-CD2 4.26Å; L201-L203 HydrophobicContact CG-CG 4.12Å; L203-N206 VanDerWaalsContact C-ND2 3.32Å; L203-N206 PolarHBondContact O-ND2 2.94Å; L203-F208 HydrophobicContact CB-CE1 3.93Å; L203-F208 HydrophobicContact CB-CZ 4.05Å; L203-F208 HydrophobicContact CD1-CE1 4.34Å; L203-F208 HydrophobicContact CD1-CZ 3.95Å; L203-D231 WeakPolarHBondContact CA-O 3.38Å; L203-D231 PolarHBondContact N-O 3.13Å; L203-I232 HydrophobicContact CD1-CG2 4.34Å; L203-S235 PolarHBondContact O-OG 3.14Å
204	R	94.2	Very high	86.3	Confident	130 Å²	130	51.1 Å²	51.1	49%	0.491	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	143.5	-167	170	179.5	175.8	-177.3	1.3	112.1	D178 L179 N206 S233	D178-R204 CarbonylContact C-O 3.55Å; D178-R204 WeakPolarHBondContact CA-O 3.48Å; D178-R204 HydrophobicContact CB-CB 3.87Å; D178-R204 VanDerWaalsContact CB-O 3.32Å; D178-R204 WeakPolarHBondContact CB-O 3.11Å; D178-R204 WeakPolarHBondContact OD1-CB 3.08Å; D178-R204 PolarHBondContact OD1-N 3.11Å; L179-R204 PolarHBondContact N-O 2.88Å; R204-N206 PolarHBondContact O-N 3.45Å; R204-N206 PolarHBondContact O-ND2 2.89Å; R204-S233 CarbonylContact C-O 3.22Å; R204-S233 WeakPolarHBondContact CA-O 2.98Å; R204-S233 WeakPolarHBondContact CG-O 2.95Å
205	S	92.7	Very high	85.3	Confident	40 Å²	40	49.1 Å²	49.1	28%	0.28	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	35.7	174.3	-60.7	0	0	0	0	113.9	L179 S233 G234	L179-S205 VanDerWaalsContact CD2-CB 3.42Å; S205-S233 PolarHBondContact N-O 2.91Å; S205-G234 WeakPolarHBondContact CA-O 3.33Å
206	N	90.5	Very high	84.3	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.265	C	S	.	.			trans	-94.4	174.6	166.2	-78.9	-85.8	0	0	0	111.1	L177 N180 L182 L203 R204 F208 S235	L177-N206 PolarHBondContact O-ND2 2.78Å; N180-N206 WeakPolarHBondContact CA-OD1 3.47Å; N180-N206 WeakPolarHBondContact CB-OD1 3.34Å; N180-N206 PolarHBondContact O-OD1 3.06Å; L182-N206 HydrophobicContact CB-CB 4.02Å; L182-N206 WeakPolarHBondContact CB-OD1 3.17Å; L182-N206 VanDerWaalsContact CG-OD1 3.28Å; L182-N206 WeakPolarHBondContact CG-OD1 3.21Å; L182-N206 PolarHBondContact N-OD1 3.27Å; L182-N206 VanDerWaalsContact N-OD1 3.12Å; L203-N206 VanDerWaalsContact C-ND2 3.32Å; L203-N206 PolarHBondContact O-ND2 2.94Å; R204-N206 PolarHBondContact O-N 3.45Å; R204-N206 PolarHBondContact O-ND2 2.89Å; N206-F208 HydrophobicContact CB-CD1 3.54Å; N206-F208 HydrophobicContact CB-CE1 3.67Å; N206-S235 CarbonylContact O-C 3.44Å; N206-S235 VanDerWaalsContact O-C 3.25Å; N206-S235 WeakPolarHBondContact O-CA 3.17Å
207	S	83.1	Confident	83.4	Confident	52 Å²	52	59.8 Å²	59.8	36%	0.364	30%	0.298	S	S	.	.			trans	-115.5	30.7	-174.8	-67.6	0	0	0	0	113.8	L182 F209 R210	L182-S207 CarbonylContact O-C 3.41Å; L182-S207 PolarHBondContact O-N 2.87Å; S207-F209 VanDerWaalsContact C-N 3.32Å; S207-F209 PolarHBondContact O-N 3.21Å; S207-R210 WeakPolarHBondContact O-CG 3.44Å
208	F	80.2	Confident	82.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.			trans	-85.2	3.5	-171.9	60	-91.6	0	0	0	115.5	L182 E183 I185 L203 N206 W215 I232 F245	L182-F208 HydrophobicContact CB-CD1 4.07Å; L182-F208 WeakPolarHBondContact O-CA 3.02Å; L182-F208 WeakPolarHBondContact O-CB 3.41Å; L182-F208 PolarHBondContact O-N 2.56Å; E183-F208 VanDerWaalsContact C-CB 3.5Å; E183-F208 VanDerWaalsContact O-CA 3.23Å; E183-F208 WeakPolarHBondContact O-CA 3.28Å; E183-F208 WeakPolarHBondContact O-CB 3.35Å; I185-F208 HydrophobicContact CD1-CD1 4.3Å; I185-F208 HydrophobicContact CD1-CD2 4.23Å; I185-F208 HydrophobicContact CD1-CE1 4.27Å; I185-F208 HydrophobicContact CD1-CE2 4.14Å; I185-F208 HydrophobicContact CD1-CG 4.3Å; I185-F208 HydrophobicContact CD1-CZ 4.19Å; I185-F208 HydrophobicContact CG1-CD2 4.5Å; I185-F208 HydrophobicContact CG1-CG 4.45Å; L203-F208 HydrophobicContact CB-CE1 3.93Å; L203-F208 HydrophobicContact CB-CZ 4.05Å; L203-F208 HydrophobicContact CD1-CE1 4.34Å; L203-F208 HydrophobicContact CD1-CZ 3.95Å; N206-F208 HydrophobicContact CB-CD1 3.54Å; N206-F208 HydrophobicContact CB-CE1 3.67Å; F208-W215 HydrophobicContact CD2-CH2 4.21Å; F208-W215 HydrophobicContact CD2-CZ2 4.47Å; F208-W215 WeakPolarHBondContact O-CZ2 3.35Å; F208-I232 HydrophobicContact CZ-CG2 4.38Å; F208-F245 HydrophobicContact CE2-CE2 4.39Å
209	F	73.9	Confident	82	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.026	29%	0.29	C	S	.	.			trans	-102.3	37.3	173.9	-66.4	-90.9	0	0	0	113.1	S207 I232 S235 M237 F245	S207-F209 VanDerWaalsContact C-N 3.32Å; S207-F209 PolarHBondContact O-N 3.21Å; F209-I232 HydrophobicContact CZ-CD1 4.09Å; F209-S235 VanDerWaalsContact CD2-CB 3.46Å; F209-S235 WeakPolarHBondContact CD2-O 3.32Å; F209-M237 HydrophobicContact CB-CG 3.83Å; F209-M237 HydrophobicContact CD1-CG 3.55Å; F209-M237 HydrophobicContact CD1-SD 4.14Å; F209-M237 HydrophobicContact CD2-CG 3.18Å; F209-M237 HydrophobicContact CD2-SD 3.84Å; F209-M237 HydrophobicContact CE1-CG 3.71Å; F209-M237 HydrophobicContact CE1-SD 3.65Å; F209-M237 HydrophobicContact CE2-CG 3.39Å; F209-M237 HydrophobicContact CE2-SD 3.32Å; F209-M237 WeakPolarHBondContact CE2-SD 3.48Å; F209-M237 HydrophobicContact CG-CB 4.35Å; F209-M237 HydrophobicContact CG-CG 3.25Å; F209-M237 HydrophobicContact CG-SD 4.21Å; F209-M237 HydrophobicContact CZ-CG 3.67Å; F209-M237 HydrophobicContact CZ-SD 3.23Å; F209-M237 WeakPolarHBondContact CZ-SD 3.11Å; F209-F245 HydrophobicContact CD1-CB 4.27Å; F209-F245 HydrophobicContact CE1-CB 3.43Å; F209-F245 VanDerWaalsContact CE1-CB 3.43Å; F209-F245 AromaticContact CE1-CD1 3.89Å; F209-F245 HydrophobicContact CE1-CD1 3.89Å; F209-F245 AromaticContact CE1-CD2 3.95Å; F209-F245 HydrophobicContact CE1-CD2 3.95Å; F209-F245 AromaticContact CE1-CG 3.48Å; F209-F245 HydrophobicContact CE1-CG 3.48Å; F209-F245 VanDerWaalsContact CE1-CG 3.48Å; F209-F245 HydrophobicContact CZ-CB 4.26Å; F209-F245 AromaticContact CZ-CD1 3.87Å; F209-F245 HydrophobicContact CZ-CD1 3.87Å; F209-F245 HydrophobicContact CZ-CD2 4.11Å; F209-F245 HydrophobicContact CZ-CE1 4.2Å; F209-F245 HydrophobicContact CZ-CE2 4.42Å; F209-F245 AromaticContact CZ-CG 3.81Å; F209-F245 HydrophobicContact CZ-CG 3.81Å; F209-F245 HydrophobicContact CZ-CZ 4.45Å
210	R	69	Low	81.7	Confident	120 Å²	120	53.2 Å²	53.2	45%	0.453	28%	0.282	S	S	.	.			trans	-73.4	151.5	174.2	-69.6	172.3	171.6	176.5	3.4	111.2	E183 S207 D212 V213	E183-R210 IonicContact OE1-NH1 3.59Å; E183-R210 PolarHBondContact OE1-NH1 3.03Å; S207-R210 WeakPolarHBondContact O-CG 3.44Å; R210-D212 WeakPolarHBondContact CB-OD1 3.47Å; R210-D212 PolarHBondContact O-N 3.38Å; R210-V213 HydrophobicContact CB-CG2 4.3Å; R210-V213 WeakPolarHBondContact O-CB 3.32Å; R210-V213 WeakPolarHBondContact O-CG2 3.44Å; R210-V213 PolarHBondContact O-N 3.02Å
211	S	60.6	Low	81.4	Confident	117 Å²	117	51.4 Å²	51.4	82%	0.818	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.8	-174.1	51.7	0	0	0	0	114.8	V213	S211-V213 VanDerWaalsContact C-N 3.35Å
212	D	64.5	Low	81.2	Confident	127 Å²	127	51.4 Å²	51.4	68%	0.679	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.1	177.1	60.3	-34.5	0	0	0	113.5	R210 D214	R210-D212 WeakPolarHBondContact CB-OD1 3.47Å; R210-D212 PolarHBondContact O-N 3.38Å; D212-D214 PolarHBondContact O-N 2.78Å
213	V	66.8	Low	81.1	Confident	18 Å²	18	55.4 Å²	55.4	11%	0.109	29%	0.289	C	S	.	.			trans	-83.5	105.6	-178.7	-175.5	0	0	0	0	110.6	K184 R210 S211 W215	K184-V213 HydrophobicContact CB-CG1 4.39Å; K184-V213 HydrophobicContact CD-CG1 3.81Å; K184-V213 VanDerWaalsContact CE-CG1 3.46Å; K184-V213 HydrophobicContact CG-CG1 3.71Å; R210-V213 HydrophobicContact CB-CG2 4.3Å; R210-V213 WeakPolarHBondContact O-CB 3.32Å; R210-V213 WeakPolarHBondContact O-CG2 3.44Å; R210-V213 PolarHBondContact O-N 3.02Å; S211-V213 VanDerWaalsContact C-N 3.35Å; V213-W215 HydrophobicContact CG1-CD2 4.17Å; V213-W215 HydrophobicContact CG1-CZ2 3.94Å; V213-W215 PolarHBondContact O-N 2.53Å
214	D	70.1	Confident	81.1	Confident	79 Å²	79	62 Å²	62	42%	0.422	32%	0.321	S	S	.	.			trans	-78.1	107.1	169.6	-161.5	-17.4	0	0	0	110.7	K184 D212 K216	K184-D214 WeakPolarHBondContact CE-O 3.28Å; K184-D214 PolarHBondContact NZ-O 3.23Å; D212-D214 PolarHBondContact O-N 2.78Å; D214-K216 VanDerWaalsContact C-N 3.33Å; D214-K216 VanDerWaalsContact OD1-CB 3.24Å; D214-K216 WeakPolarHBondContact OD1-CB 3.43Å; D214-K216 WeakPolarHBondContact OD1-CG 3.42Å; D214-K216 PolarHBondContact OD1-N 3.44Å
215	W	72.8	Confident	81.3	Confident	10 Å²	10	56.1 Å²	56.1	4%	0.038	30%	0.298	C	S	.	.	S	Bend	trans	-76.4	-17	176.6	-67.1	98.8	0	0	0	113.1	I185 F208 V213 D217 C218 L244 F245 A248	I185-W215 VanDerWaalsContact O-CZ3 3.28Å; I185-W215 WeakPolarHBondContact O-CZ3 2.98Å; F208-W215 HydrophobicContact CD2-CH2 4.21Å; F208-W215 HydrophobicContact CD2-CZ2 4.47Å; F208-W215 WeakPolarHBondContact O-CZ2 3.35Å; V213-W215 HydrophobicContact CG1-CD2 4.17Å; V213-W215 HydrophobicContact CG1-CZ2 3.94Å; V213-W215 PolarHBondContact O-N 2.53Å; W215-D217 VanDerWaalsContact C-N 3.34Å; W215-D217 PolarHBondContact O-N 3.19Å; W215-C218 HydrophobicContact CE3-CB 4.28Å; W215-C218 VanDerWaalsContact O-CB 3.26Å; W215-C218 WeakPolarHBondContact O-CB 3.12Å; W215-C218 PolarHBondContact O-N 3.13Å; W215-L244 HydrophobicContact CB-CB 4.39Å; W215-L244 HydrophobicContact CG-CB 4.27Å; W215-F245 HydrophobicContact CE3-CD2 4.36Å; W215-F245 AromaticContact CH2-CD2 3.73Å; W215-F245 HydrophobicContact CH2-CD2 3.73Å; W215-F245 HydrophobicContact CH2-CE2 4.18Å; W215-F245 HydrophobicContact CZ2-CD2 4.14Å; W215-F245 AromaticContact CZ3-CD2 3.84Å; W215-F245 HydrophobicContact CZ3-CD2 3.84Å; W215-F245 HydrophobicContact CZ3-CE2 4.28Å; W215-A248 HydrophobicContact CE3-CB 4.27Å
216	K	72.2	Confident	81.5	Confident	161 Å²	161	55.2 Å²	55.2	70%	0.7	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.9	-179.1	-65.1	175.6	-179.6	170.9	0	112.3	D214 C218	D214-K216 VanDerWaalsContact C-N 3.33Å; D214-K216 VanDerWaalsContact OD1-CB 3.24Å; D214-K216 WeakPolarHBondContact OD1-CB 3.43Å; D214-K216 WeakPolarHBondContact OD1-CG 3.42Å; D214-K216 PolarHBondContact OD1-N 3.44Å; K216-C218 VanDerWaalsContact C-N 3.26Å; K216-C218 PolarHBondContact O-N 2.83Å
217	D	77.8	Confident	81.9	Confident	141 Å²	141	55.3 Å²	55.3	75%	0.754	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.2	178.8	-66.6	-18.8	0	0	0	113.2	W215	W215-D217 VanDerWaalsContact C-N 3.34Å; W215-D217 PolarHBondContact O-N 3.19Å
218	C	78.4	Confident	82.6	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.034	29%	0.288	C	S	.	.	S	Bend	trans	-90.3	-18.4	-166.6	-159.9	0	0	0	0	113.6	K184 I185 C186 E187 W215 K216	K184-C218 VanDerWaalsContact CE-SG 3.57Å; I185-C218 PolarHBondContact O-SG 3.38Å; C186-C218 WeakPolarHBondContact CA-SG 3.21Å; C186-C218 HydrophobicContact CB-CB 4.06Å; C186-C218 WeakPolarHBondContact CB-O 3.48Å; C186-C218 WeakPolarHBondContact CB-SG 3.3Å; C186-C218 WeakPolarHBondContact SG-CA 3.35Å; C186-C218 WeakPolarHBondContact SG-CB 3.12Å; C186-C218 CovalentContact SG-SG 2.04Å; C186-C218 PolarHBondContact SG-SG 3.05Å; E187-C218 WeakPolarHBondContact CB-O 3.46Å; E187-C218 PolarHBondContact N-O 2.76Å; W215-C218 HydrophobicContact CE3-CB 4.28Å; W215-C218 VanDerWaalsContact O-CB 3.26Å; W215-C218 WeakPolarHBondContact O-CB 3.12Å; W215-C218 PolarHBondContact O-N 3.13Å; K216-C218 VanDerWaalsContact C-N 3.26Å; K216-C218 PolarHBondContact O-N 2.83Å
219	G	87.3	Confident	83.5	Confident	32 Å²	32	56.5 Å²	56.5	33%	0.33	30%	0.296	S	S	.	.			trans	66.3	-169	-170.8	0	0	0	0	0	112.2	E187 P221	E187-G219 WeakPolarHBondContact OE2-CA 3.21Å; G219-P221 VanDerWaalsContact O-CD 3.28Å; G219-P221 WeakPolarHBondContact O-CD 3.28Å
220	N	92.1	Very high	84.6	Confident	32 Å²	32	56.2 Å²	56.2	17%	0.171	30%	0.295	C	S	.	.			trans	-85.9	109.6	172.1	-178.2	-18.3	0	0	0	108.8	E187 F222 K223 A248 R250 T252	E187-N220 VanDerWaalsContact CB-O 3.31Å; E187-N220 WeakPolarHBondContact CB-O 3.19Å; E187-N220 WeakPolarHBondContact CG-O 3.41Å; E187-N220 PolarHBondContact OE2-N 3.03Å; N220-F222 PolarHBondContact O-N 3.31Å; N220-F222 VanDerWaalsContact O-N 3.13Å; N220-F222 WeakPolarHBondContact OD1-CA 3.38Å; N220-F222 PolarHBondContact OD1-N 2.74Å; N220-K223 HydrophobicContact CB-CB 4.4Å; N220-K223 WeakPolarHBondContact O-CB 3.23Å; N220-K223 PolarHBondContact O-N 3.34Å; N220-K223 PolarHBondContact OD1-N 3.49Å; N220-A248 VanDerWaalsContact CA-O 3.23Å; N220-A248 WeakPolarHBondContact CA-O 3.33Å; N220-A248 WeakPolarHBondContact CB-O 3.35Å; N220-A248 VanDerWaalsContact CG-O 3.24Å; N220-R250 PolarHBondContact ND2-O 3.04Å; N220-T252 PolarHBondContact ND2-OG1 3.41Å; N220-T252 VanDerWaalsContact ND2-OG1 3.08Å
221	P	91.9	Very high	86	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.013	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.2	-179	25.1	-33.3	0	0	0	113.2	I185 L190 G219 I249	I185-P221 HydrophobicContact CG2-CB 3.77Å; L190-P221 WeakPolarHBondContact CB-O 3.48Å; L190-P221 HydrophobicContact CD1-CB 4.35Å; L190-P221 WeakPolarHBondContact CD1-O 3.45Å; G219-P221 VanDerWaalsContact O-CD 3.28Å; G219-P221 WeakPolarHBondContact O-CD 3.28Å; P221-I249 HydrophobicContact CG-CG2 3.76Å
222	F	95.3	Very high	87.6	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	26.1	-177.3	-55.1	-36.7	0	0	0	113.1	L190 L201 N220 E224 M225 F227 L230 F245 I249 T252	L190-F222 HydrophobicContact CD1-CD1 3.83Å; L190-F222 HydrophobicContact CD1-CE1 3.76Å; L201-F222 HydrophobicContact CD2-CE1 4.21Å; N220-F222 PolarHBondContact O-N 3.31Å; N220-F222 VanDerWaalsContact O-N 3.13Å; N220-F222 WeakPolarHBondContact OD1-CA 3.38Å; N220-F222 PolarHBondContact OD1-N 2.74Å; F222-E224 PolarHBondContact O-N 2.75Å; F222-M225 HydrophobicContact CB-CB 4.26Å; F222-M225 HydrophobicContact CB-SD 4.47Å; F222-M225 HydrophobicContact CD1-CE 4.15Å; F222-M225 HydrophobicContact CD1-SD 4.26Å; F222-M225 WeakPolarHBondContact O-CB 3.23Å; F222-M225 PolarHBondContact O-N 3.27Å; F222-F227 HydrophobicContact CB-CE2 3.79Å; F222-F227 HydrophobicContact CB-CZ 4.11Å; F222-F227 HydrophobicContact CD1-CE2 4.12Å; F222-F227 AromaticContact CD1-CZ 3.69Å; F222-F227 HydrophobicContact CD1-CZ 3.69Å; F222-F227 AromaticContact CD2-CE2 3.82Å; F222-F227 HydrophobicContact CD2-CE2 3.82Å; F222-F227 HydrophobicContact CD2-CZ 4.17Å; F222-F227 HydrophobicContact CE1-CZ 4.11Å; F222-F227 HydrophobicContact CE2-CE2 4.43Å; F222-F227 AromaticContact CG-CE2 3.65Å; F222-F227 HydrophobicContact CG-CE2 3.65Å; F222-F227 AromaticContact CG-CZ 3.73Å; F222-F227 HydrophobicContact CG-CZ 3.73Å; F222-L230 HydrophobicContact CD2-CD2 4.43Å; F222-L230 HydrophobicContact CE2-CD1 4.4Å; F222-L230 HydrophobicContact CE2-CD2 3.77Å; F222-L230 HydrophobicContact CZ-CD1 4.27Å; F222-L230 HydrophobicContact CZ-CD2 4.43Å; F222-F245 HydrophobicContact CE2-CE2 4.49Å; F222-F245 AromaticContact CE2-CZ 3.8Å; F222-F245 HydrophobicContact CE2-CZ 3.8Å; F222-F245 HydrophobicContact CZ-CZ 4.19Å; F222-I249 HydrophobicContact CD2-CB 4.12Å; F222-I249 HydrophobicContact CD2-CG2 3.48Å; F222-I249 VanDerWaalsContact CD2-CG2 3.48Å; F222-I249 HydrophobicContact CE2-CG2 3.74Å; F222-I249 HydrophobicContact CG-CG2 4.4Å; F222-T252 HydrophobicContact CB-CG2 3.56Å; F222-T252 HydrophobicContact CD2-CG2 4.22Å; F222-T252 HydrophobicContact CG-CG2 4.34Å
223	K	94.7	Very high	88.9	Confident	89 Å²	89	40 Å²	40	39%	0.387	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	129.1	175.4	-174.2	176.5	-175.4	-176.6	0	111.1	E187 N220 M225	E187-K223 VanDerWaalsContact CD-CD 3.48Å; E187-K223 HydrophobicContact CG-CB 4.34Å; E187-K223 HydrophobicContact CG-CD 4.15Å; E187-K223 WeakPolarHBondContact OE1-CD 3.37Å; E187-K223 IonicContact OE1-NZ 3.85Å; E187-K223 PolarHBondContact OE1-NZ 3.34Å; N220-K223 HydrophobicContact CB-CB 4.4Å; N220-K223 WeakPolarHBondContact O-CB 3.23Å; N220-K223 PolarHBondContact O-N 3.34Å; N220-K223 PolarHBondContact OD1-N 3.49Å; K223-M225 PolarHBondContact O-N 3.02Å
224	E	95.3	Very high	89.8	Confident	140 Å²	140	40.7 Å²	40.7	65%	0.654	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	24.3	-177	-62.1	173.1	-161.3	0	0	114	G195 F222	G195-E224 WeakPolarHBondContact CA-O 3.46Å; G195-E224 PolarHBondContact N-O 2.82Å; F222-E224 PolarHBondContact O-N 2.75Å
225	M	97.3	Very high	90.4	Very high	5 Å²	5	37 Å²	37	3%	0.025	20%	0.199	C	C	.	.			trans	-114.2	156.5	172.9	-61.3	167.7	62.9	0	0	109.9	L190 F193 K196 F198 F222 K223 F227	L190-M225 HydrophobicContact CB-SD 4.44Å; F193-M225 HydrophobicContact CB-CE 3.76Å; F193-M225 HydrophobicContact CB-SD 3.99Å; F193-M225 HydrophobicContact CD2-CE 4.39Å; F193-M225 WeakPolarHBondContact O-CG 3.32Å; K196-M225 WeakPolarHBondContact O-CA 3.23Å; F198-M225 HydrophobicContact CD2-CE 4Å; F198-M225 HydrophobicContact CE2-CE 3.61Å; F222-M225 HydrophobicContact CB-CB 4.26Å; F222-M225 HydrophobicContact CB-SD 4.47Å; F222-M225 HydrophobicContact CD1-CE 4.15Å; F222-M225 HydrophobicContact CD1-SD 4.26Å; F222-M225 WeakPolarHBondContact O-CB 3.23Å; F222-M225 PolarHBondContact O-N 3.27Å; K223-M225 PolarHBondContact O-N 3.02Å; M225-F227 HydrophobicContact CB-CE2 4.24Å; M225-F227 HydrophobicContact CB-CZ 4.07Å; M225-F227 HydrophobicContact CE-CE1 4.12Å; M225-F227 HydrophobicContact CE-CZ 3.72Å
226	A	97.9	Very high	90.4	Very high	22 Å²	22	39.4 Å²	39.4	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152	174.8	0	0	0	0	0	110.8	K196 Y197 F198 P253	K196-A226 PolarHBondContact O-N 3.48Å; K196-A226 VanDerWaalsContact O-N 3.15Å; Y197-A226 CarbonylContact C-O 3.23Å; Y197-A226 WeakPolarHBondContact CA-O 3.21Å; Y197-A226 HydrophobicContact CD2-CB 3.81Å; Y197-A226 HydrophobicContact CE2-CB 4.4Å; F198-A226 PolarHBondContact N-O 3.17Å; A226-P253 WeakPolarHBondContact CA-O 3.49Å; A226-P253 HydrophobicContact CB-CB 4.03Å; A226-P253 HydrophobicContact CB-CG 4.28Å
227	F	98.3	Very high	90.8	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.6	-172.5	-54.4	-84.7	0	0	0	111.6	F198 L201 F222 M225 L230 T252 P253 I254 A255	F198-F227 HydrophobicContact CB-CD1 3.69Å; F198-F227 HydrophobicContact CB-CE1 4.03Å; F198-F227 HydrophobicContact CD2-CD1 4.31Å; F198-F227 AromaticContact CD2-CE1 3.78Å; F198-F227 HydrophobicContact CD2-CE1 3.78Å; F198-F227 HydrophobicContact CG-CD1 4.36Å; F198-F227 HydrophobicContact CG-CE1 4.2Å; F198-F227 CarbonylContact O-C 3.24Å; F198-F227 WeakPolarHBondContact O-CA 3.45Å; L201-F227 HydrophobicContact CB-CD1 3.86Å; L201-F227 HydrophobicContact CB-CE1 3.8Å; L201-F227 HydrophobicContact CD2-CD1 4.35Å; L201-F227 HydrophobicContact CD2-CE1 3.5Å; L201-F227 HydrophobicContact CD2-CZ 4.08Å; L201-F227 HydrophobicContact CG-CE1 4.29Å; F222-F227 HydrophobicContact CB-CE2 3.79Å; F222-F227 HydrophobicContact CB-CZ 4.11Å; F222-F227 HydrophobicContact CD1-CE2 4.12Å; F222-F227 AromaticContact CD1-CZ 3.69Å; F222-F227 HydrophobicContact CD1-CZ 3.69Å; F222-F227 AromaticContact CD2-CE2 3.82Å; F222-F227 HydrophobicContact CD2-CE2 3.82Å; F222-F227 HydrophobicContact CD2-CZ 4.17Å; F222-F227 HydrophobicContact CE1-CZ 4.11Å; F222-F227 HydrophobicContact CE2-CE2 4.43Å; F222-F227 AromaticContact CG-CE2 3.65Å; F222-F227 HydrophobicContact CG-CE2 3.65Å; F222-F227 AromaticContact CG-CZ 3.73Å; F222-F227 HydrophobicContact CG-CZ 3.73Å; M225-F227 HydrophobicContact CB-CE2 4.24Å; M225-F227 HydrophobicContact CB-CZ 4.07Å; M225-F227 HydrophobicContact CE-CE1 4.12Å; M225-F227 HydrophobicContact CE-CZ 3.72Å; F227-L230 HydrophobicContact CB-CB 4.11Å; F227-L230 HydrophobicContact CD1-CD1 4.42Å; F227-L230 HydrophobicContact CE1-CD1 4.5Å; F227-L230 HydrophobicContact CG-CB 4.16Å; F227-T252 HydrophobicContact CD2-CG2 4.01Å; F227-T252 HydrophobicContact CE2-CG2 3.74Å; F227-P253 PolarHBondContact N-O 3.18Å; F227-I254 HydrophobicContact CB-CG1 4.46Å; F227-I254 HydrophobicContact CD2-CG1 3.95Å; F227-I254 WeakPolarHBondContact O-CA 3.34Å; F227-A255 PolarHBondContact O-N 3.02Å
228	N	98.4	Very high	90.9	Very high	43 Å²	43	27 Å²	27	23%	0.23	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-50.9	158.9	-171.5	44	0	0	0	109.6	Y197 F198 H199 H256	Y197-N228 HydrophobicContact CE1-CB 4.46Å; Y197-N228 WeakPolarHBondContact OH-CB 3.31Å; F198-N228 PolarHBondContact O-N 2.93Å; H199-N228 PolarHBondContact CE1-ND2 2.88Å; H199-N228 PolarHBondContact ND1-ND2 3.07Å; H199-N228 WeakPolarHBondContact O-CB 3.43Å; N228-H256 WeakPolarHBondContact O-CA 3.43Å; N228-H256 WeakPolarHBondContact O-CB 3.48Å; N228-H256 PolarHBondContact O-N 3.06Å
229	I	98.6	Very high	91.2	Very high	34 Å²	34	27.5 Å²	27.5	17%	0.174	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.7	176.8	-52.6	173.9	0	0	0	109.3	H199 L200 L201 H256 K258	H199-I229 PolarHBondContact O-N 3.48Å; H199-I229 VanDerWaalsContact O-N 3.16Å; L200-I229 WeakPolarHBondContact CA-O 3.36Å; L200-I229 HydrophobicContact CD1-CB 3.79Å; L200-I229 HydrophobicContact CD1-CG2 3.62Å; L201-I229 PolarHBondContact N-O 2.98Å; I229-H256 WeakPolarHBondContact CA-O 3.46Å; I229-H256 HydrophobicContact CG1-CB 4.1Å; I229-K258 HydrophobicContact CG2-CD 4.46Å; I229-K258 HydrophobicContact CG2-CG 4.5Å
230	L	98	Very high	91.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.8	168.5	177.3	63.2	0	0	0	108.5	L201 F222 F227 I232 I254 H256 L257 K258	L201-L230 HydrophobicContact CB-CD1 4.21Å; L201-L230 HydrophobicContact CD2-CD1 4.02Å; L201-L230 HydrophobicContact CG-CD1 4.18Å; F222-L230 HydrophobicContact CD2-CD2 4.43Å; F222-L230 HydrophobicContact CE2-CD1 4.4Å; F222-L230 HydrophobicContact CE2-CD2 3.77Å; F222-L230 HydrophobicContact CZ-CD1 4.27Å; F222-L230 HydrophobicContact CZ-CD2 4.43Å; F227-L230 HydrophobicContact CB-CB 4.11Å; F227-L230 HydrophobicContact CD1-CD1 4.42Å; F227-L230 HydrophobicContact CE1-CD1 4.5Å; F227-L230 HydrophobicContact CG-CB 4.16Å; L230-I232 HydrophobicContact CD1-CG2 4.23Å; L230-I232 HydrophobicContact CG-CG2 4.15Å; L230-I254 HydrophobicContact CB-CG2 4.05Å; L230-I254 HydrophobicContact CD2-CD1 3.89Å; L230-I254 HydrophobicContact CD2-CG1 4.31Å; L230-H256 PolarHBondContact N-O 2.92Å; L230-L257 HydrophobicContact CB-CD1 4.46Å; L230-L257 HydrophobicContact CD2-CD1 4.17Å; L230-L257 HydrophobicContact CG-CD1 4.36Å; L230-K258 PolarHBondContact O-N 3.37Å
231	D	97.3	Very high	90.8	Very high	19 Å²	19	32.1 Å²	32.1	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.3	178.4	-167.9	-12.3	0	0	0	110.5	L201 L203 S233 K258	L201-D231 PolarHBondContact O-N 2.81Å; L203-D231 WeakPolarHBondContact CA-O 3.38Å; L203-D231 PolarHBondContact N-O 3.13Å; D231-S233 WeakPolarHBondContact OD1-CB 3.42Å; D231-S233 PolarHBondContact OD1-N 3.3Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; D231-K258 HydrophobicContact CB-CB 4.11Å; D231-K258 HydrophobicContact CB-CD 4.33Å
232	I	94	Very high	90.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.			trans	-111.1	14.9	177.2	58.8	168.7	0	0	0	111.8	L203 F208 F209 L230 S235 M237 L242 F245 F246 K258 C259	L203-I232 HydrophobicContact CD1-CG2 4.34Å; F208-I232 HydrophobicContact CZ-CG2 4.38Å; F209-I232 HydrophobicContact CZ-CD1 4.09Å; L230-I232 HydrophobicContact CD1-CG2 4.23Å; L230-I232 HydrophobicContact CG-CG2 4.15Å; I232-S235 VanDerWaalsContact O-CB 3.3Å; I232-S235 WeakPolarHBondContact O-CB 3.34Å; I232-S235 PolarHBondContact O-OG 2.76Å; I232-M237 HydrophobicContact CD1-CE 4.12Å; I232-M237 HydrophobicContact CD1-SD 3.7Å; I232-M237 HydrophobicContact CG1-CE 4.04Å; I232-M237 HydrophobicContact CG1-SD 4.22Å; I232-M237 WeakPolarHBondContact O-CE 3.4Å; I232-L242 HydrophobicContact CD1-CD1 4.29Å; I232-F245 HydrophobicContact CD1-CD1 4.18Å; I232-F245 HydrophobicContact CD1-CE1 3.85Å; I232-F245 HydrophobicContact CG2-CE1 4.43Å; I232-F245 HydrophobicContact CG2-CZ 4.48Å; I232-F246 HydrophobicContact CD1-CE1 4.36Å; I232-K258 VanDerWaalsContact CG1-O 3.32Å; I232-K258 WeakPolarHBondContact CG1-O 3.39Å; I232-K258 PolarHBondContact N-O 3.21Å; I232-C259 WeakPolarHBondContact CD1-SG 3.35Å; I232-C259 HydrophobicContact CG1-CB 4.38Å; I232-C259 WeakPolarHBondContact CG1-SG 3.45Å
233	S	93.1	Very high	90.4	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	149.1	-177	-71.9	0	0	0	0	114.5	R204 S205 D231 S235 S260	R204-S233 CarbonylContact C-O 3.22Å; R204-S233 WeakPolarHBondContact CA-O 2.98Å; R204-S233 WeakPolarHBondContact CG-O 2.95Å; S205-S233 PolarHBondContact N-O 2.91Å; D231-S233 WeakPolarHBondContact OD1-CB 3.42Å; D231-S233 PolarHBondContact OD1-N 3.3Å; D231-S233 PolarHBondContact OD1-OG 3.29Å; S233-S235 PolarHBondContact O-N 3.47Å; S233-S235 PolarHBondContact O-OG 3.03Å; S233-S260 CarbonylContact C-O 3.53Å; S233-S260 WeakPolarHBondContact CA-O 3.45Å; S233-S260 WeakPolarHBondContact CB-OG 3.15Å; S233-S260 PolarHBondContact OG-N 3.38Å; S233-S260 VanDerWaalsContact OG-N 3.13Å; S233-S260 PolarHBondContact OG-OG 3.01Å
234	G	85.9	Confident	90.1	Very high	32 Å²	32	34 Å²	34	33%	0.33	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	9.9	172.9	0	0	0	0	0	114.8	S205 G236 S260	S205-G234 WeakPolarHBondContact CA-O 3.33Å; G234-G236 PolarHBondContact O-N 2.87Å; G234-S260 PolarHBondContact N-O 3.45Å
235	S	81.3	Confident	89.8	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.007	16%	0.163	C	C	.	.	S	Bend	trans	-82.2	23.6	-169.7	-54.9	0	0	0	0	115.1	L203 N206 F209 I232 S233 M237	L203-S235 PolarHBondContact O-OG 3.14Å; N206-S235 CarbonylContact O-C 3.44Å; N206-S235 VanDerWaalsContact O-C 3.25Å; N206-S235 WeakPolarHBondContact O-CA 3.17Å; F209-S235 VanDerWaalsContact CD2-CB 3.46Å; F209-S235 WeakPolarHBondContact CD2-O 3.32Å; I232-S235 VanDerWaalsContact O-CB 3.3Å; I232-S235 WeakPolarHBondContact O-CB 3.34Å; I232-S235 PolarHBondContact O-OG 2.76Å; S233-S235 PolarHBondContact O-N 3.47Å; S233-S235 PolarHBondContact O-OG 3.03Å; S235-M237 PolarHBondContact O-N 3.37Å
236	G	74.1	Confident	89.6	Confident	61 Å²	61	27 Å²	27	63%	0.629	16%	0.162	S	C	*	.			trans	70	13.3	-179.2	0	0	0	0	0	115.5	G234	G234-G236 PolarHBondContact O-N 2.87Å
237	M	78.8	Confident	89.3	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	18%	0.182	C	C	.	.			trans	-59.7	137.2	-175.9	-67.6	178	-64.9	0	0	113.2	F209 I232 S235 L242 L263	F209-M237 HydrophobicContact CB-CG 3.83Å; F209-M237 HydrophobicContact CD1-CG 3.55Å; F209-M237 HydrophobicContact CD1-SD 4.14Å; F209-M237 HydrophobicContact CD2-CG 3.18Å; F209-M237 HydrophobicContact CD2-SD 3.84Å; F209-M237 HydrophobicContact CE1-CG 3.71Å; F209-M237 HydrophobicContact CE1-SD 3.65Å; F209-M237 HydrophobicContact CE2-CG 3.39Å; F209-M237 HydrophobicContact CE2-SD 3.32Å; F209-M237 WeakPolarHBondContact CE2-SD 3.48Å; F209-M237 HydrophobicContact CG-CB 4.35Å; F209-M237 HydrophobicContact CG-CG 3.25Å; F209-M237 HydrophobicContact CG-SD 4.21Å; F209-M237 HydrophobicContact CZ-CG 3.67Å; F209-M237 HydrophobicContact CZ-SD 3.23Å; F209-M237 WeakPolarHBondContact CZ-SD 3.11Å; I232-M237 HydrophobicContact CD1-CE 4.12Å; I232-M237 HydrophobicContact CD1-SD 3.7Å; I232-M237 HydrophobicContact CG1-CE 4.04Å; I232-M237 HydrophobicContact CG1-SD 4.22Å; I232-M237 WeakPolarHBondContact O-CE 3.4Å; S235-M237 PolarHBondContact O-N 3.37Å; M237-L242 HydrophobicContact CE-CD1 4.43Å; M237-L242 HydrophobicContact SD-CD1 3.44Å; M237-L242 WeakPolarHBondContact SD-CD1 3.43Å; M237-L263 HydrophobicContact CB-CD2 4.31Å
238	N	80.4	Confident	89	Confident	39 Å²	39	34.4 Å²	34.4	21%	0.209	19%	0.188	C	C	.	.			trans	-111	168.7	157.3	71.7	44.4	0	0	0	109.9	E240 T241 L242	N238-E240 VanDerWaalsContact C-N 3.29Å; N238-E240 PolarHBondContact O-N 2.88Å; N238-E240 WeakPolarHBondContact OD1-CB 3.4Å; N238-E240 PolarHBondContact OD1-N 2.94Å; N238-T241 PolarHBondContact N-OG1 3.06Å; N238-T241 PolarHBondContact O-N 3.28Å; N238-T241 PolarHBondContact O-OG1 2.93Å; N238-T241 PolarHBondContact OD1-N 2.96Å; N238-T241 PolarHBondContact OD1-OG1 2.65Å; N238-T241 VanDerWaalsContact OD1-OG1 3.13Å; N238-L242 WeakPolarHBondContact O-CB 3.5Å; N238-L242 PolarHBondContact O-N 3.08Å
239	L	86.1	Confident	88.7	Confident	16 Å²	16	32.3 Å²	32.3	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-36.8	-174.9	-164.2	70.2	0	0	0	113.7	K243 P273 P275 T279	L239-K243 WeakPolarHBondContact O-CG 3.48Å; L239-K243 PolarHBondContact O-N 2.81Å; L239-P273 HydrophobicContact CD2-CB 4.46Å; L239-P273 HydrophobicContact CD2-CG 3.95Å; L239-P275 HydrophobicContact CD1-CB 4.32Å; L239-P275 HydrophobicContact CD1-CG 4.19Å; L239-T279 HydrophobicContact CD1-CG2 3.52Å
240	E	84.4	Confident	88.5	Confident	152 Å²	152	36.8 Å²	36.8	71%	0.71	19%	0.192	S	C	*	.	H	α-helix	trans	-69.5	-48.9	179.7	-61.8	-175.7	152.4	0	0	111.4	N238 L242 K243 L244	N238-E240 VanDerWaalsContact C-N 3.29Å; N238-E240 PolarHBondContact O-N 2.88Å; N238-E240 WeakPolarHBondContact OD1-CB 3.4Å; N238-E240 PolarHBondContact OD1-N 2.94Å; E240-L242 VanDerWaalsContact C-N 3.26Å; E240-L242 PolarHBondContact O-N 2.87Å; E240-K243 PolarHBondContact O-N 3.15Å; E240-L244 WeakPolarHBondContact O-CG 3.44Å; E240-L244 PolarHBondContact O-N 2.97Å
241	T	85.9	Confident	88.4	Confident	9 Å²	9	38.4 Å²	38.4	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-34.7	176.9	55.6	0	0	0	0	112	N238 L244 F245	N238-T241 PolarHBondContact N-OG1 3.06Å; N238-T241 PolarHBondContact O-N 3.28Å; N238-T241 PolarHBondContact O-OG1 2.93Å; N238-T241 PolarHBondContact OD1-N 2.96Å; N238-T241 PolarHBondContact OD1-OG1 2.65Å; N238-T241 VanDerWaalsContact OD1-OG1 3.13Å; T241-L244 PolarHBondContact O-N 2.9Å; T241-F245 WeakPolarHBondContact O-CB 2.98Å; T241-F245 PolarHBondContact O-N 2.92Å
242	L	88.4	Confident	88.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-47.2	176	-173.5	71.8	0	0	0	111.4	I232 M237 N238 E240 L244 F245 F246 L263 T279	I232-L242 HydrophobicContact CD1-CD1 4.29Å; M237-L242 HydrophobicContact CE-CD1 4.43Å; M237-L242 HydrophobicContact SD-CD1 3.44Å; M237-L242 WeakPolarHBondContact SD-CD1 3.43Å; N238-L242 WeakPolarHBondContact O-CB 3.5Å; N238-L242 PolarHBondContact O-N 3.08Å; E240-L242 VanDerWaalsContact C-N 3.26Å; E240-L242 PolarHBondContact O-N 2.87Å; L242-L244 VanDerWaalsContact C-N 3.31Å; L242-L244 PolarHBondContact O-N 3.13Å; L242-F245 PolarHBondContact O-N 3.36Å; L242-F246 HydrophobicContact CD1-CD1 4.47Å; L242-F246 HydrophobicContact CD1-CE1 3.79Å; L242-F246 HydrophobicContact CD1-CE2 3.87Å; L242-F246 HydrophobicContact CD1-CZ 3.46Å; L242-F246 VanDerWaalsContact CD1-CZ 3.46Å; L242-F246 HydrophobicContact CD2-CE2 3.66Å; L242-F246 HydrophobicContact CD2-CZ 3.93Å; L242-F246 HydrophobicContact CG-CD2 4Å; L242-F246 HydrophobicContact CG-CE1 4.29Å; L242-F246 HydrophobicContact CG-CE2 3.49Å; L242-F246 VanDerWaalsContact CG-CE2 3.49Å; L242-F246 HydrophobicContact CG-CZ 3.66Å; L242-F246 WeakPolarHBondContact O-CG 3.49Å; L242-F246 PolarHBondContact O-N 2.96Å; L242-L263 HydrophobicContact CD2-CD1 3.88Å; L242-L263 HydrophobicContact CD2-CD2 3.81Å; L242-T279 HydrophobicContact CD2-CG2 4.36Å
243	K	89.9	Confident	88.5	Confident	58 Å²	58	40.7 Å²	40.7	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-57.6	-43.8	175.5	-77.5	175.6	171.7	-178.8	0	111.2	L239 E240 F245 F246 R247 D276 T279	L239-K243 WeakPolarHBondContact O-CG 3.48Å; L239-K243 PolarHBondContact O-N 2.81Å; E240-K243 PolarHBondContact O-N 3.15Å; K243-F245 PolarHBondContact O-N 3.15Å; K243-F246 PolarHBondContact O-N 2.84Å; K243-R247 WeakPolarHBondContact O-CB 3.46Å; K243-R247 PolarHBondContact O-N 3.49Å; K243-D276 IonicContact NZ-OD1 3.02Å; K243-D276 PolarHBondContact NZ-OD1 3.32Å; K243-D276 IonicContact NZ-OD2 2.67Å; K243-D276 PolarHBondContact NZ-OD2 3.29Å; K243-T279 VanDerWaalsContact CE-CA 3.41Å; K243-T279 WeakPolarHBondContact CE-OG1 3.26Å
244	L	88.3	Confident	88.8	Confident	72 Å²	72	40.5 Å²	40.5	38%	0.377	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-40.6	176.5	-70.4	174.4	0	0	0	112.7	W215 E240 T241 L242 R247 A248	W215-L244 HydrophobicContact CB-CB 4.39Å; W215-L244 HydrophobicContact CG-CB 4.27Å; E240-L244 WeakPolarHBondContact O-CG 3.44Å; E240-L244 PolarHBondContact O-N 2.97Å; T241-L244 PolarHBondContact O-N 2.9Å; L242-L244 VanDerWaalsContact C-N 3.31Å; L242-L244 PolarHBondContact O-N 3.13Å; L244-R247 PolarHBondContact O-N 2.66Å; L244-A248 PolarHBondContact O-N 2.94Å
245	F	89.5	Confident	89.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-46.4	177.2	178.1	-104.2	0	0	0	112.5	F208 F209 W215 F222 I232 T241 L242 K243 R247 A248 I249	F208-F245 HydrophobicContact CE2-CE2 4.39Å; F209-F245 HydrophobicContact CD1-CB 4.27Å; F209-F245 HydrophobicContact CE1-CB 3.43Å; F209-F245 VanDerWaalsContact CE1-CB 3.43Å; F209-F245 AromaticContact CE1-CD1 3.89Å; F209-F245 HydrophobicContact CE1-CD1 3.89Å; F209-F245 AromaticContact CE1-CD2 3.95Å; F209-F245 HydrophobicContact CE1-CD2 3.95Å; F209-F245 AromaticContact CE1-CG 3.48Å; F209-F245 HydrophobicContact CE1-CG 3.48Å; F209-F245 VanDerWaalsContact CE1-CG 3.48Å; F209-F245 HydrophobicContact CZ-CB 4.26Å; F209-F245 AromaticContact CZ-CD1 3.87Å; F209-F245 HydrophobicContact CZ-CD1 3.87Å; F209-F245 HydrophobicContact CZ-CD2 4.11Å; F209-F245 HydrophobicContact CZ-CE1 4.2Å; F209-F245 HydrophobicContact CZ-CE2 4.42Å; F209-F245 AromaticContact CZ-CG 3.81Å; F209-F245 HydrophobicContact CZ-CG 3.81Å; F209-F245 HydrophobicContact CZ-CZ 4.45Å; W215-F245 HydrophobicContact CE3-CD2 4.36Å; W215-F245 AromaticContact CH2-CD2 3.73Å; W215-F245 HydrophobicContact CH2-CD2 3.73Å; W215-F245 HydrophobicContact CH2-CE2 4.18Å; W215-F245 HydrophobicContact CZ2-CD2 4.14Å; W215-F245 AromaticContact CZ3-CD2 3.84Å; W215-F245 HydrophobicContact CZ3-CD2 3.84Å; W215-F245 HydrophobicContact CZ3-CE2 4.28Å; F222-F245 HydrophobicContact CE2-CE2 4.49Å; F222-F245 AromaticContact CE2-CZ 3.8Å; F222-F245 HydrophobicContact CE2-CZ 3.8Å; F222-F245 HydrophobicContact CZ-CZ 4.19Å; I232-F245 HydrophobicContact CD1-CD1 4.18Å; I232-F245 HydrophobicContact CD1-CE1 3.85Å; I232-F245 HydrophobicContact CG2-CE1 4.43Å; I232-F245 HydrophobicContact CG2-CZ 4.48Å; T241-F245 WeakPolarHBondContact O-CB 2.98Å; T241-F245 PolarHBondContact O-N 2.92Å; L242-F245 PolarHBondContact O-N 3.36Å; K243-F245 PolarHBondContact O-N 3.15Å; F245-R247 PolarHBondContact O-N 3.33Å; F245-A248 WeakPolarHBondContact O-CA 3.49Å; F245-A248 WeakPolarHBondContact O-CB 3.43Å; F245-A248 PolarHBondContact O-N 3.34Å; F245-I249 HydrophobicContact CD1-CD1 4.28Å; F245-I249 HydrophobicContact CD2-CG2 4.49Å; F245-I249 HydrophobicContact CE1-CD1 3.82Å; F245-I249 HydrophobicContact CE1-CG1 4.4Å; F245-I249 HydrophobicContact CE1-CG2 4.28Å; F245-I249 HydrophobicContact CE2-CG2 4.04Å; F245-I249 HydrophobicContact CZ-CD1 4.41Å; F245-I249 HydrophobicContact CZ-CG2 3.93Å; F245-I249 WeakPolarHBondContact O-CG1 3.44Å; F245-I249 PolarHBondContact O-N 3.32Å
246	F	92.5	Very high	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-38.3	175.1	-68.7	-20	0	0	0	112.2	I232 L242 K243 A248 I249 R250 L257 T279 F280 D282 L283	I232-F246 HydrophobicContact CD1-CE1 4.36Å; L242-F246 HydrophobicContact CD1-CD1 4.47Å; L242-F246 HydrophobicContact CD1-CE1 3.79Å; L242-F246 HydrophobicContact CD1-CE2 3.87Å; L242-F246 HydrophobicContact CD1-CZ 3.46Å; L242-F246 VanDerWaalsContact CD1-CZ 3.46Å; L242-F246 HydrophobicContact CD2-CE2 3.66Å; L242-F246 HydrophobicContact CD2-CZ 3.93Å; L242-F246 HydrophobicContact CG-CD2 4Å; L242-F246 HydrophobicContact CG-CE1 4.29Å; L242-F246 HydrophobicContact CG-CE2 3.49Å; L242-F246 VanDerWaalsContact CG-CE2 3.49Å; L242-F246 HydrophobicContact CG-CZ 3.66Å; L242-F246 WeakPolarHBondContact O-CG 3.49Å; L242-F246 PolarHBondContact O-N 2.96Å; K243-F246 PolarHBondContact O-N 2.84Å; F246-A248 VanDerWaalsContact C-N 3.33Å; F246-A248 PolarHBondContact O-N 2.9Å; F246-I249 HydrophobicContact CD1-CD1 4.12Å; F246-I249 HydrophobicContact CD1-CG1 4.48Å; F246-I249 CarbonylContact O-C 3Å; F246-I249 PolarHBondContact O-N 3.47Å; F246-R250 PolarHBondContact O-N 3.06Å; F246-R250 VanDerWaalsContact O-N 3.15Å; F246-L257 HydrophobicContact CE1-CD2 3.97Å; F246-L257 HydrophobicContact CZ-CD2 4.05Å; F246-T279 WeakPolarHBondContact CD2-O 3.44Å; F246-F280 HydrophobicContact CD2-CD1 4.26Å; F246-F280 AromaticContact CE2-CD1 3.52Å; F246-F280 HydrophobicContact CE2-CD1 3.52Å; F246-F280 AromaticContact CE2-CE1 3.68Å; F246-F280 HydrophobicContact CE2-CE1 3.68Å; F246-F280 HydrophobicContact CZ-CD1 4.21Å; F246-F280 HydrophobicContact CZ-CE1 4.14Å; F246-D282 HydrophobicContact CB-CB 4.36Å; F246-L283 HydrophobicContact CB-CD2 4.11Å; F246-L283 HydrophobicContact CB-CG 4.18Å; F246-L283 HydrophobicContact CD1-CD1 4.04Å; F246-L283 HydrophobicContact CD1-CD2 3.91Å; F246-L283 HydrophobicContact CD1-CG 4.19Å; F246-L283 HydrophobicContact CD2-CD1 3.99Å; F246-L283 HydrophobicContact CD2-CG 4.19Å; F246-L283 HydrophobicContact CE1-CD1 4Å; F246-L283 HydrophobicContact CE2-CD1 3.94Å; F246-L283 HydrophobicContact CG-CD1 4.04Å; F246-L283 HydrophobicContact CG-CD2 4.02Å; F246-L283 HydrophobicContact CG-CG 3.95Å; F246-L283 HydrophobicContact CZ-CD1 3.93Å
247	R	91.9	Very high	91.3	Very high	163 Å²	163	39.3 Å²	39.3	62%	0.615	20%	0.197	S	C	*	.	H	α-helix	trans	-61.3	-40	171	-173.7	177.1	176.5	169.3	2.7	112.8	K243 L244 F245 R250 D282	K243-R247 WeakPolarHBondContact O-CB 3.46Å; K243-R247 PolarHBondContact O-N 3.49Å; L244-R247 PolarHBondContact O-N 2.66Å; F245-R247 PolarHBondContact O-N 3.33Å; R247-R250 WeakPolarHBondContact O-CB 3.36Å; R247-D282 HydrophobicContact CB-CB 4.4Å
248	A	91.3	Very high	92.1	Very high	16 Å²	16	41.9 Å²	41.9	13%	0.132	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-37.6	177.9	0	0	0	0	0	112.1	W215 N220 L244 F245 F246 R250	W215-A248 HydrophobicContact CE3-CB 4.27Å; N220-A248 VanDerWaalsContact CA-O 3.23Å; N220-A248 WeakPolarHBondContact CA-O 3.33Å; N220-A248 WeakPolarHBondContact CB-O 3.35Å; N220-A248 VanDerWaalsContact CG-O 3.24Å; L244-A248 PolarHBondContact O-N 2.94Å; F245-A248 WeakPolarHBondContact O-CA 3.49Å; F245-A248 WeakPolarHBondContact O-CB 3.43Å; F245-A248 PolarHBondContact O-N 3.34Å; F246-A248 VanDerWaalsContact C-N 3.33Å; F246-A248 PolarHBondContact O-N 2.9Å; A248-R250 VanDerWaalsContact C-N 3.33Å; A248-R250 PolarHBondContact O-N 2.94Å
249	I	93.4	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	14.5	-179.1	66.5	161.9	0	0	0	113.8	P221 F222 F245 F246 G251 T252 I254 L283	P221-I249 HydrophobicContact CG-CG2 3.76Å; F222-I249 HydrophobicContact CD2-CB 4.12Å; F222-I249 HydrophobicContact CD2-CG2 3.48Å; F222-I249 VanDerWaalsContact CD2-CG2 3.48Å; F222-I249 HydrophobicContact CE2-CG2 3.74Å; F222-I249 HydrophobicContact CG-CG2 4.4Å; F245-I249 HydrophobicContact CD1-CD1 4.28Å; F245-I249 HydrophobicContact CD2-CG2 4.49Å; F245-I249 HydrophobicContact CE1-CD1 3.82Å; F245-I249 HydrophobicContact CE1-CG1 4.4Å; F245-I249 HydrophobicContact CE1-CG2 4.28Å; F245-I249 HydrophobicContact CE2-CG2 4.04Å; F245-I249 HydrophobicContact CZ-CD1 4.41Å; F245-I249 HydrophobicContact CZ-CG2 3.93Å; F245-I249 WeakPolarHBondContact O-CG1 3.44Å; F245-I249 PolarHBondContact O-N 3.32Å; F246-I249 HydrophobicContact CD1-CD1 4.12Å; F246-I249 HydrophobicContact CD1-CG1 4.48Å; F246-I249 CarbonylContact O-C 3Å; F246-I249 PolarHBondContact O-N 3.47Å; I249-G251 PolarHBondContact O-N 3.01Å; I249-T252 WeakPolarHBondContact O-CB 3.35Å; I249-T252 PolarHBondContact O-N 3.25Å; I249-T252 PolarHBondContact O-OG1 2.99Å; I249-I254 HydrophobicContact CD1-CD1 3.81Å; I249-L283 HydrophobicContact CD1-CD2 4.11Å; I249-L283 HydrophobicContact CG1-CD2 4.35Å
250	R	94.5	Very high	92.7	Very high	128 Å²	128	40.4 Å²	40.4	48%	0.483	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.7	-178.4	179.4	176.1	170.5	166.6	3.6	111.6	N220 F246 R247 A248 T252 E285	N220-R250 PolarHBondContact ND2-O 3.04Å; F246-R250 PolarHBondContact O-N 3.06Å; F246-R250 VanDerWaalsContact O-N 3.15Å; R247-R250 WeakPolarHBondContact O-CB 3.36Å; A248-R250 VanDerWaalsContact C-N 3.33Å; A248-R250 PolarHBondContact O-N 2.94Å; R250-T252 VanDerWaalsContact C-N 3.26Å; R250-T252 PolarHBondContact O-N 3.4Å; R250-E285 IonicContact CZ-OE1 4Å; R250-E285 IonicContact CZ-OE2 3.56Å; R250-E285 IonicContact NE-OE1 3.81Å; R250-E285 IonicContact NE-OE2 3.24Å; R250-E285 PolarHBondContact NE-OE2 2.88Å; R250-E285 IonicContact NH2-OE1 2.9Å; R250-E285 PolarHBondContact NH2-OE1 2.64Å; R250-E285 IonicContact NH2-OE2 3.8Å
251	G	94.8	Very high	92.5	Very high	33 Å²	33	34.1 Å²	34.1	34%	0.34	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	4.6	178.8	0	0	0	0	0	114.6	I249 P253	I249-G251 PolarHBondContact O-N 3.01Å; G251-P253 WeakPolarHBondContact O-CD 3.31Å
252	T	96.8	Very high	92.2	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	19%	0.186	C	C	.	.			trans	-76.5	121.7	176.4	-53.8	0	0	0	0	109.7	N220 F222 F227 I249 R250 I254 S286	N220-T252 PolarHBondContact ND2-OG1 3.41Å; N220-T252 VanDerWaalsContact ND2-OG1 3.08Å; F222-T252 HydrophobicContact CB-CG2 3.56Å; F222-T252 HydrophobicContact CD2-CG2 4.22Å; F222-T252 HydrophobicContact CG-CG2 4.34Å; F227-T252 HydrophobicContact CD2-CG2 4.01Å; F227-T252 HydrophobicContact CE2-CG2 3.74Å; I249-T252 WeakPolarHBondContact O-CB 3.35Å; I249-T252 PolarHBondContact O-N 3.25Å; I249-T252 PolarHBondContact O-OG1 2.99Å; R250-T252 VanDerWaalsContact C-N 3.26Å; R250-T252 PolarHBondContact O-N 3.4Å; T252-I254 HydrophobicContact CG2-CD1 4.38Å; T252-I254 HydrophobicContact CG2-CG1 4.21Å; T252-I254 PolarHBondContact O-N 2.79Å; T252-S286 WeakPolarHBondContact O-CA 2.96Å; T252-S286 WeakPolarHBondContact O-CB 3.36Å; T252-S286 PolarHBondContact O-OG 2.71Å
253	P	97.8	Very high	91.8	Very high	65 Å²	65	35.3 Å²	35.3	42%	0.422	19%	0.187	S	C	.	.			trans	-68.2	118.4	178.9	-19.6	33.1	0	0	0	111.8	A226 F227 G251	A226-P253 WeakPolarHBondContact CA-O 3.49Å; A226-P253 HydrophobicContact CB-CB 4.03Å; A226-P253 HydrophobicContact CB-CG 4.28Å; F227-P253 PolarHBondContact N-O 3.18Å; G251-P253 WeakPolarHBondContact O-CD 3.31Å
254	I	98.1	Very high	91.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	108	-178.6	-60.9	158.3	0	0	0	108.5	F227 L230 I249 T252 L257 S286 V288	F227-I254 HydrophobicContact CB-CG1 4.46Å; F227-I254 HydrophobicContact CD2-CG1 3.95Å; F227-I254 WeakPolarHBondContact O-CA 3.34Å; L230-I254 HydrophobicContact CB-CG2 4.05Å; L230-I254 HydrophobicContact CD2-CD1 3.89Å; L230-I254 HydrophobicContact CD2-CG1 4.31Å; I249-I254 HydrophobicContact CD1-CD1 3.81Å; T252-I254 HydrophobicContact CG2-CD1 4.38Å; T252-I254 HydrophobicContact CG2-CG1 4.21Å; T252-I254 PolarHBondContact O-N 2.79Å; I254-L257 HydrophobicContact CG2-CB 3.91Å; I254-L257 HydrophobicContact CG2-CD1 4.46Å; I254-S286 PolarHBondContact N-O 2.94Å; I254-V288 WeakPolarHBondContact O-CA 3.48Å
255	A	98	Very high	90.6	Very high	29 Å²	29	32.7 Å²	32.7	24%	0.24	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-40.7	-179.4	0	0	0	0	0	112.6	F227 V289 H290	F227-A255 PolarHBondContact O-N 3.02Å; A255-V289 WeakPolarHBondContact O-CA 3.35Å; A255-V289 WeakPolarHBondContact O-CB 3.5Å; A255-V289 PolarHBondContact O-N 3.04Å; A255-H290 PolarHBondContact O-N 2.85Å
256	H	98.4	Very high	89.3	Confident	39 Å²	39	34.8 Å²	34.8	18%	0.181	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	113.7	178.8	-173.9	169.8	0	0	0	110	N228 I229 L230 K258 H290	N228-H256 WeakPolarHBondContact O-CA 3.43Å; N228-H256 WeakPolarHBondContact O-CB 3.48Å; N228-H256 PolarHBondContact O-N 3.06Å; I229-H256 WeakPolarHBondContact CA-O 3.46Å; I229-H256 HydrophobicContact CG1-CB 4.1Å; L230-H256 PolarHBondContact N-O 2.92Å; H256-K258 WeakPolarHBondContact CE1-CE 3.16Å; H256-K258 VanDerWaalsContact NE2-CE 3.28Å; H256-K258 WeakPolarHBondContact NE2-CE 3.45Å; H256-K258 WeakPolarHBondContact NE2-CG 3.4Å; H256-H290 WeakPolarHBondContact CA-O 3.35Å; H256-H290 HydrophobicContact CB-CB 3.9Å
257	L	97.8	Very high	87.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.3	176.5	179.4	61.7	0	0	0	110.2	L230 F246 I254 C259 L283 V288 H290 L291 D292	L230-L257 HydrophobicContact CB-CD1 4.46Å; L230-L257 HydrophobicContact CD2-CD1 4.17Å; L230-L257 HydrophobicContact CG-CD1 4.36Å; F246-L257 HydrophobicContact CE1-CD2 3.97Å; F246-L257 HydrophobicContact CZ-CD2 4.05Å; I254-L257 HydrophobicContact CG2-CB 3.91Å; I254-L257 HydrophobicContact CG2-CD1 4.46Å; L257-C259 VanDerWaalsContact CG-SG 3.53Å; L257-L283 HydrophobicContact CD2-CD1 3.63Å; L257-V288 HydrophobicContact CB-CG1 4.16Å; L257-H290 PolarHBondContact N-O 3.18Å; L257-L291 HydrophobicContact CB-CD1 4.38Å; L257-L291 HydrophobicContact CD2-CD1 4.22Å; L257-L291 HydrophobicContact CG-CD1 4.44Å; L257-D292 PolarHBondContact O-N 3.13Å
258	K	96.9	Very high	85.9	Confident	56 Å²	56	38.8 Å²	38.8	24%	0.243	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.5	173.3	-52.4	-168.8	170.8	-164.3	0	111.5	I229 L230 D231 I232 H256 D292	I229-K258 HydrophobicContact CG2-CD 4.46Å; I229-K258 HydrophobicContact CG2-CG 4.5Å; L230-K258 PolarHBondContact O-N 3.37Å; D231-K258 HydrophobicContact CB-CB 4.11Å; D231-K258 HydrophobicContact CB-CD 4.33Å; I232-K258 VanDerWaalsContact CG1-O 3.32Å; I232-K258 WeakPolarHBondContact CG1-O 3.39Å; I232-K258 PolarHBondContact N-O 3.21Å; H256-K258 WeakPolarHBondContact CE1-CE 3.16Å; H256-K258 VanDerWaalsContact NE2-CE 3.28Å; H256-K258 WeakPolarHBondContact NE2-CE 3.45Å; H256-K258 WeakPolarHBondContact NE2-CG 3.4Å; K258-D292 HydrophobicContact CB-CB 4.21Å; K258-D292 HydrophobicContact CG-CB 3.95Å
259	C	91.9	Very high	83.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.			trans	-138.6	82	-177.4	-61.9	0	0	0	0	108.9	I232 L257 D292 L293 N296	I232-C259 WeakPolarHBondContact CD1-SG 3.35Å; I232-C259 HydrophobicContact CG1-CB 4.38Å; I232-C259 WeakPolarHBondContact CG1-SG 3.45Å; L257-C259 VanDerWaalsContact CG-SG 3.53Å; C259-D292 PolarHBondContact N-O 2.69Å; C259-L293 HydrophobicContact CB-CD2 3.96Å; C259-N296 PolarHBondContact O-ND2 2.95Å; C259-N296 PolarHBondContact O-OD1 3.39Å
260	S	85.6	Confident	81.9	Confident	24 Å²	24	55.5 Å²	55.5	17%	0.168	28%	0.283	C	S	.	.			trans	-97.6	156.1	169.7	67.2	0	0	0	0	112.2	S233 G234 S294 N296	S233-S260 CarbonylContact C-O 3.53Å; S233-S260 WeakPolarHBondContact CA-O 3.45Å; S233-S260 WeakPolarHBondContact CB-OG 3.15Å; S233-S260 PolarHBondContact OG-N 3.38Å; S233-S260 VanDerWaalsContact OG-N 3.13Å; S233-S260 PolarHBondContact OG-OG 3.01Å; G234-S260 PolarHBondContact N-O 3.45Å; S260-S294 WeakPolarHBondContact CA-O 3.42Å; S260-S294 WeakPolarHBondContact CB-O 3.47Å; S260-N296 VanDerWaalsContact C-OD1 3.28Å
261	G	80.3	Confident	80.4	Confident	20 Å²	20	55.3 Å²	55.3	21%	0.206	29%	0.292	C	S	.	.	S	Bend	trans	157.2	-136.8	-171.4	0	0	0	0	0	115.9	N296	G261-N296 WeakPolarHBondContact CA-OD1 3.28Å; G261-N296 PolarHBondContact N-OD1 3.13Å; G261-N296 CarbonylContact O-C 3.12Å; G261-N296 WeakPolarHBondContact O-CA 3.3Å
262	S	79.1	Confident	79.5	Confident	32 Å²	32	58.3 Å²	58.3	22%	0.224	29%	0.293	C	S	.	.	S	Bend	trans	-130.7	62.9	-178.5	-64.1	0	0	0	0	110.1	R272	S262-R272 PolarHBondContact O-NH1 2.92Å
263	L	81.9	Confident	78.9	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	31%	0.314	C	S	.	.			trans	-85.7	-20.5	-179.6	-61.7	-179.8	0	0	0	113.3	M237 L242 P275 L293 N296	M237-L263 HydrophobicContact CB-CD2 4.31Å; L242-L263 HydrophobicContact CD2-CD1 3.88Å; L242-L263 HydrophobicContact CD2-CD2 3.81Å; L263-P275 HydrophobicContact CB-CG 4.41Å; L263-L293 HydrophobicContact CD1-CD2 4.3Å; L263-N296 HydrophobicContact CB-CB 4.16Å; L263-N296 WeakPolarHBondContact CD1-OD1 3.44Å; L263-N296 HydrophobicContact CG-CB 4.49Å; L263-N296 WeakPolarHBondContact CG-OD1 3.35Å; L263-N296 PolarHBondContact N-O 3.22Å
264	G	77.6	Confident	78.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-92.5	178.6	179.7	0	0	0	0	0	115.6	D266 D274 N296 R297	G264-D266 PolarHBondContact O-N 3.46Å; G264-D274 WeakPolarHBondContact CA-OD1 3.38Å; G264-N296 PolarHBondContact N-O 3.23Å; G264-R297 WeakPolarHBondContact CA-O 3.16Å
265	K	74.1	Confident	78.4	Confident	75 Å²	75	58.7 Å²	58.7	33%	0.326	30%	0.295	S	S	.	.			trans	-60.4	127.2	171.3	-77.2	173.2	-174.9	168.1	0	111	R272 D274 F299	K265-R272 WeakPolarHBondContact CA-O 3.38Å; K265-R272 WeakPolarHBondContact CG-O 3.18Å; K265-D274 WeakPolarHBondContact CD-OD2 3.33Å; K265-D274 VanDerWaalsContact CE-OD2 3.24Å; K265-D274 WeakPolarHBondContact CE-OD2 3.2Å; K265-D274 WeakPolarHBondContact CG-OD2 3.47Å; K265-D274 PolarHBondContact N-OD1 2.85Å; K265-D274 VanDerWaalsContact N-OD1 3.12Å; K265-D274 IonicContact NZ-OD2 3.92Å; K265-F299 HydrophobicContact CB-CB 4.1Å; K265-F299 HydrophobicContact CD-CB 4.48Å; K265-F299 HydrophobicContact CD-CD1 4.34Å
266	D	62.6	Low	78.2	Confident	44 Å²	44	59.1 Å²	59.1	24%	0.235	29%	0.294	C	S	.	.			trans	-112	156.6	171.1	-154.8	0.4	0	0	0	110.7	G264 S268 R297 K321	G264-D266 PolarHBondContact O-N 3.46Å; D266-S268 PolarHBondContact O-N 3.06Å; D266-R297 IonicContact OD2-CZ 3.74Å; D266-R297 IonicContact OD2-NH1 3.8Å; D266-R297 PolarHBondContact OD2-NH1 3.38Å; D266-K321 IonicContact OD1-NZ 2.75Å
267	F	56.5	Low	78	Confident	195 Å²	195	62.1 Å²	62.1	86%	0.855	31%	0.306	S	S	*	.	S	Bend	trans	-69.7	6	178.2	-68.4	-80	0	0	0	113.6
268	S	56	Low	77.8	Confident	53 Å²	53	65 Å²	65	37%	0.371	32%	0.321	S	S	.	.	S	Bend	trans	-75.5	157.3	-179.7	80.8	0	0	0	0	112.1	D266 N270	D266-S268 PolarHBondContact O-N 3.06Å; S268-N270 CarbonylContact O-C 3.57Å; S268-N270 PolarHBondContact O-N 3.46Å; S268-N270 PolarHBondContact OG-O 3.36Å
269	Y	46.9	Very low	77.7	Confident	240 Å²	240	62.4 Å²	62.4	94%	0.941	31%	0.311	S	S	*	.	S	Bend	trans	-53.9	-13.8	178.1	-65.6	-83.6	0	0	0	115.1
270	N	55	Low	77.8	Confident	127 Å²	127	62.5 Å²	62.5	68%	0.679	31%	0.311	S	S	*	.	S	Bend	trans	-109.2	86.6	173.8	-62.8	-26.4	0	0	0	109.4	S268 R272	S268-N270 CarbonylContact O-C 3.57Å; S268-N270 PolarHBondContact O-N 3.46Å; S268-N270 PolarHBondContact OG-O 3.36Å; N270-R272 VanDerWaalsContact C-N 3.34Å; N270-R272 PolarHBondContact O-N 2.97Å
271	N	63.3	Low	78.3	Confident	123 Å²	123	65.9 Å²	65.9	66%	0.658	32%	0.324	S	S	*	.			trans	-59.6	86.8	-179.7	-166.9	14.6	0	0	0	111.4
272	R	74.3	Confident	79	Confident	97 Å²	97	66.9 Å²	66.9	37%	0.366	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.2	137.1	-178.1	-68.4	-176	178.7	-160.5	-2.1	110.6	S262 K265 N270	S262-R272 PolarHBondContact O-NH1 2.92Å; K265-R272 WeakPolarHBondContact CA-O 3.38Å; K265-R272 WeakPolarHBondContact CG-O 3.18Å; N270-R272 VanDerWaalsContact C-N 3.34Å; N270-R272 PolarHBondContact O-N 2.97Å
273	P	85.4	Confident	79.8	Confident	71 Å²	71	65.5 Å²	65.5	46%	0.461	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-72.6	142.1	178.8	29.4	-33.8	0	0	0	111.8	L239	L239-P273 HydrophobicContact CD2-CB 4.46Å; L239-P273 HydrophobicContact CD2-CG 3.95Å
274	D	91.2	Very high	80.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-66.2	154.2	167.3	-60.8	-64.7	0	0	0	111.3	G264 K265 F299 K302	G264-D274 WeakPolarHBondContact CA-OD1 3.38Å; K265-D274 WeakPolarHBondContact CD-OD2 3.33Å; K265-D274 VanDerWaalsContact CE-OD2 3.24Å; K265-D274 WeakPolarHBondContact CE-OD2 3.2Å; K265-D274 WeakPolarHBondContact CG-OD2 3.47Å; K265-D274 PolarHBondContact N-OD1 2.85Å; K265-D274 VanDerWaalsContact N-OD1 3.12Å; K265-D274 IonicContact NZ-OD2 3.92Å; D274-F299 PolarHBondContact OD1-N 3.41Å; D274-K302 PolarHBondContact O-NZ 3.03Å
275	P	93.6	Very high	81.3	Confident	6 Å²	6	74.8 Å²	74.8	4%	0.039	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-50.1	142	174.5	-28.6	36.8	0	0	0	113.5	L239 L263 T279 I298 K302 V305	L239-P275 HydrophobicContact CD1-CB 4.32Å; L239-P275 HydrophobicContact CD1-CG 4.19Å; L263-P275 HydrophobicContact CB-CG 4.41Å; P275-T279 HydrophobicContact CB-CG2 4.16Å; P275-I298 HydrophobicContact CG-CD1 4.27Å; P275-I298 HydrophobicContact CG-CG1 4.37Å; P275-K302 WeakPolarHBondContact O-CD 3.21Å; P275-V305 HydrophobicContact CB-CG2 3.75Å
276	D	93.6	Very high	82.3	Confident	38 Å²	38	71.2 Å²	71.2	20%	0.203	34%	0.343	C	S	.	.			trans	-125.8	177.1	-177.9	61.7	20.6	0	0	0	112	K243 D278 T279 K302	K243-D276 IonicContact NZ-OD1 3.02Å; K243-D276 PolarHBondContact NZ-OD1 3.32Å; K243-D276 IonicContact NZ-OD2 2.67Å; K243-D276 PolarHBondContact NZ-OD2 3.29Å; D276-D278 PolarHBondContact O-N 3.16Å; D276-D278 PolarHBondContact OD1-N 3.27Å; D276-D278 VanDerWaalsContact OD1-N 3.16Å; D276-T279 PolarHBondContact N-OG1 2.92Å; D276-T279 VanDerWaalsContact O-CB 3.26Å; D276-T279 WeakPolarHBondContact O-CB 3.32Å; D276-T279 PolarHBondContact O-N 2.81Å; D276-T279 PolarHBondContact O-OG1 2.94Å; D276-T279 PolarHBondContact OD1-N 2.88Å; D276-T279 VanDerWaalsContact OD1-N 3.11Å; D276-T279 PolarHBondContact OD1-OG1 2.94Å; D276-K302 HydrophobicContact CB-CD 3.94Å
277	K	94.5	Very high	83.8	Confident	101 Å²	101	72.2 Å²	72.2	44%	0.439	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-13.2	-179.8	74	179.6	-175.3	-178.1	0	115.8	G304 R307	K277-G304 WeakPolarHBondContact CA-O 3.31Å; K277-G304 WeakPolarHBondContact CB-O 3.35Å; K277-R307 PolarHBondContact O-NE 3.17Å; K277-R307 PolarHBondContact O-NH2 3.32Å
278	D	94.2	Very high	85.8	Confident	60 Å²	60	63.1 Å²	63.1	32%	0.321	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-3.2	-178.8	-55.8	-39.3	0	0	0	111.3	D276 R307	D276-D278 PolarHBondContact O-N 3.16Å; D276-D278 PolarHBondContact OD1-N 3.27Å; D276-D278 VanDerWaalsContact OD1-N 3.16Å; D278-R307 IonicContact OD1-NH2 3.48Å; D278-R307 PolarHBondContact OD1-NH2 3.24Å
279	T	93.4	Very high	87.7	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.018	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-41.6	-177.3	-60.9	0	0	0	0	113	L239 L242 K243 F246 P275 D276	L239-T279 HydrophobicContact CD1-CG2 3.52Å; L242-T279 HydrophobicContact CD2-CG2 4.36Å; K243-T279 VanDerWaalsContact CE-CA 3.41Å; K243-T279 WeakPolarHBondContact CE-OG1 3.26Å; F246-T279 WeakPolarHBondContact CD2-O 3.44Å; P275-T279 HydrophobicContact CB-CG2 4.16Å; D276-T279 PolarHBondContact N-OG1 2.92Å; D276-T279 VanDerWaalsContact O-CB 3.26Å; D276-T279 WeakPolarHBondContact O-CB 3.32Å; D276-T279 PolarHBondContact O-N 2.81Å; D276-T279 PolarHBondContact O-OG1 2.94Å; D276-T279 PolarHBondContact OD1-N 2.88Å; D276-T279 VanDerWaalsContact OD1-N 3.11Å; D276-T279 PolarHBondContact OD1-OG1 2.94Å
280	F	95.3	Very high	90.2	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	14.2	-178.2	-56.5	-74.2	0	0	0	113	F246 D282 L283 L293 V305 F306 A308 L309	F246-F280 HydrophobicContact CD2-CD1 4.26Å; F246-F280 AromaticContact CE2-CD1 3.52Å; F246-F280 HydrophobicContact CE2-CD1 3.52Å; F246-F280 AromaticContact CE2-CE1 3.68Å; F246-F280 HydrophobicContact CE2-CE1 3.68Å; F246-F280 HydrophobicContact CZ-CD1 4.21Å; F246-F280 HydrophobicContact CZ-CE1 4.14Å; F280-D282 VanDerWaalsContact C-N 3.34Å; F280-D282 PolarHBondContact O-N 3.25Å; F280-L283 HydrophobicContact CD1-CD1 4.04Å; F280-L283 WeakPolarHBondContact O-CB 3.44Å; F280-L283 PolarHBondContact O-N 3.49Å; F280-L283 VanDerWaalsContact O-N 3.09Å; F280-L293 HydrophobicContact CE1-CD2 4.31Å; F280-L293 HydrophobicContact CE2-CD1 4.19Å; F280-L293 HydrophobicContact CZ-CD1 3.66Å; F280-L293 HydrophobicContact CZ-CD2 3.99Å; F280-L293 HydrophobicContact CZ-CG 4.44Å; F280-V305 WeakPolarHBondContact CD2-O 3.13Å; F280-V305 HydrophobicContact CE2-CG2 4.19Å; F280-F306 HydrophobicContact CD2-CD1 4.26Å; F280-F306 HydrophobicContact CE2-CD1 4.16Å; F280-F306 AromaticContact CE2-CE1 3.95Å; F280-F306 HydrophobicContact CE2-CE1 3.95Å; F280-A308 WeakPolarHBondContact O-CB 3.4Å; F280-L309 HydrophobicContact CB-CD1 4.01Å; F280-L309 HydrophobicContact CB-CD2 4.14Å; F280-L309 HydrophobicContact CB-CG 3.96Å; F280-L309 HydrophobicContact CD1-CD1 4.36Å; F280-L309 HydrophobicContact CD2-CD1 4.42Å; F280-L309 HydrophobicContact CG-CD1 4.02Å
281	Q	95.7	Very high	92.2	Very high	96 Å²	96	49.5 Å²	49.5	45%	0.449	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-60.1	-41.6	-172.9	-175.4	175.8	1.1	0	0	112.8	L283 E284	Q281-L283 PolarHBondContact O-N 3.44Å; Q281-E284 WeakPolarHBondContact O-CB 3.22Å; Q281-E284 PolarHBondContact O-N 3.3Å
282	D	95.3	Very high	93.9	Very high	41 Å²	41	44.7 Å²	44.7	22%	0.219	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-73.6	-3.6	-179.6	-70.7	-63	0	0	0	113.8	F246 R247 F280	F246-D282 HydrophobicContact CB-CB 4.36Å; R247-D282 HydrophobicContact CB-CB 4.4Å; F280-D282 VanDerWaalsContact C-N 3.34Å; F280-D282 PolarHBondContact O-N 3.25Å
283	L	96.3	Very high	94.9	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-93.3	1.6	174	-62.2	-178.1	0	0	0	113.7	F246 I249 L257 F280 Q281 E285 S286 L309	F246-L283 HydrophobicContact CB-CD2 4.11Å; F246-L283 HydrophobicContact CB-CG 4.18Å; F246-L283 HydrophobicContact CD1-CD1 4.04Å; F246-L283 HydrophobicContact CD1-CD2 3.91Å; F246-L283 HydrophobicContact CD1-CG 4.19Å; F246-L283 HydrophobicContact CD2-CD1 3.99Å; F246-L283 HydrophobicContact CD2-CG 4.19Å; F246-L283 HydrophobicContact CE1-CD1 4Å; F246-L283 HydrophobicContact CE2-CD1 3.94Å; F246-L283 HydrophobicContact CG-CD1 4.04Å; F246-L283 HydrophobicContact CG-CD2 4.02Å; F246-L283 HydrophobicContact CG-CG 3.95Å; F246-L283 HydrophobicContact CZ-CD1 3.93Å; I249-L283 HydrophobicContact CD1-CD2 4.11Å; I249-L283 HydrophobicContact CG1-CD2 4.35Å; L257-L283 HydrophobicContact CD2-CD1 3.63Å; F280-L283 HydrophobicContact CD1-CD1 4.04Å; F280-L283 WeakPolarHBondContact O-CB 3.44Å; F280-L283 PolarHBondContact O-N 3.49Å; F280-L283 VanDerWaalsContact O-N 3.09Å; Q281-L283 PolarHBondContact O-N 3.44Å; L283-E285 PolarHBondContact O-N 3.05Å; L283-E285 VanDerWaalsContact O-N 3.13Å; L283-S286 VanDerWaalsContact O-CB 3.32Å; L283-S286 WeakPolarHBondContact O-CB 3.47Å; L283-S286 PolarHBondContact O-N 2.86Å; L283-L309 HydrophobicContact CB-CD2 3.73Å; L283-L309 HydrophobicContact CD1-CD2 4.33Å
284	E	94.8	Very high	95.4	Very high	92 Å²	92	37.9 Å²	37.9	43%	0.43	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.3	-178.7	-177.9	170	-161.7	0	0	113	Q281 K310	Q281-E284 WeakPolarHBondContact O-CB 3.22Å; Q281-E284 PolarHBondContact O-N 3.3Å; E284-K310 IonicContact OE1-NZ 2.78Å; E284-K310 PolarHBondContact OE1-NZ 2.8Å
285	E	94.8	Very high	95.5	Very high	106 Å²	106	39.4 Å²	39.4	50%	0.495	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	9.8	180	-65.6	164.2	-170.1	0	0	113.2	R250 L283	R250-E285 IonicContact CZ-OE1 4Å; R250-E285 IonicContact CZ-OE2 3.56Å; R250-E285 IonicContact NE-OE1 3.81Å; R250-E285 IonicContact NE-OE2 3.24Å; R250-E285 PolarHBondContact NE-OE2 2.88Å; R250-E285 IonicContact NH2-OE1 2.9Å; R250-E285 PolarHBondContact NH2-OE1 2.64Å; R250-E285 IonicContact NH2-OE2 3.8Å; L283-E285 PolarHBondContact O-N 3.05Å; L283-E285 VanDerWaalsContact O-N 3.13Å
286	S	95.8	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-98.8	-2.1	-172.5	-55.1	0	0	0	0	114.3	T252 I254 L283 V288	T252-S286 WeakPolarHBondContact O-CA 2.96Å; T252-S286 WeakPolarHBondContact O-CB 3.36Å; T252-S286 PolarHBondContact O-OG 2.71Å; I254-S286 PolarHBondContact N-O 2.94Å; L283-S286 VanDerWaalsContact O-CB 3.32Å; L283-S286 WeakPolarHBondContact O-CB 3.47Å; L283-S286 PolarHBondContact O-N 2.86Å; S286-V288 VanDerWaalsContact C-N 3.33Å; S286-V288 PolarHBondContact O-N 3.06Å
287	S	94.4	Very high	95.3	Very high	65 Å²	65	42.1 Å²	42.1	46%	0.455	22%	0.218	S	C	.	.			trans	50.8	45.1	177.5	-61.3	0	0	0	0	114.6	V289	S287-V289 PolarHBondContact O-N 3.43Å
288	V	97.4	Very high	95.2	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.024	20%	0.198	C	C	.	.			trans	-68.4	123.2	176.4	-173.4	0	0	0	0	110	I254 L257 S286 H290 L291 L309 D311 V312	I254-V288 WeakPolarHBondContact O-CA 3.48Å; L257-V288 HydrophobicContact CB-CG1 4.16Å; S286-V288 VanDerWaalsContact C-N 3.33Å; S286-V288 PolarHBondContact O-N 3.06Å; V288-H290 WeakPolarHBondContact CG1-O 3.26Å; V288-L291 HydrophobicContact CG1-CB 4.45Å; V288-L309 HydrophobicContact CB-CD2 4.41Å; V288-L309 HydrophobicContact CG2-CD2 4.42Å; V288-D311 CarbonylContact O-C 3.02Å; V288-D311 VanDerWaalsContact O-C 3.27Å; V288-V312 HydrophobicContact CB-CG2 4.09Å; V288-V312 HydrophobicContact CG1-CG2 3.99Å; V288-V312 WeakPolarHBondContact O-CA 3.43Å; V288-V312 WeakPolarHBondContact O-CG2 3.49Å; V288-V312 PolarHBondContact O-N 2.77Å
289	V	97.5	Very high	95.1	Very high	58 Å²	58	38.2 Å²	38.2	35%	0.352	20%	0.198	S	C	.	.			trans	-103.8	-35.8	178.7	-175	0	0	0	0	111.1	A255 S287 V312 G313 N314	A255-V289 WeakPolarHBondContact O-CA 3.35Å; A255-V289 WeakPolarHBondContact O-CB 3.5Å; A255-V289 PolarHBondContact O-N 3.04Å; S287-V289 PolarHBondContact O-N 3.43Å; V289-V312 WeakPolarHBondContact O-CA 3.24Å; V289-G313 PolarHBondContact O-N 3.31Å; V289-N314 PolarHBondContact O-N 3.41Å; V289-N314 VanDerWaalsContact O-N 3.16Å
290	H	98.3	Very high	95.2	Very high	73 Å²	73	38.4 Å²	38.4	34%	0.338	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.8	178.8	-61.1	73.7	0	0	0	109.7	A255 H256 L257 V288 N314	A255-H290 PolarHBondContact O-N 2.85Å; H256-H290 WeakPolarHBondContact CA-O 3.35Å; H256-H290 HydrophobicContact CB-CB 3.9Å; L257-H290 PolarHBondContact N-O 3.18Å; V288-H290 WeakPolarHBondContact CG1-O 3.26Å; H290-N314 WeakPolarHBondContact CA-O 3.19Å; H290-N314 VanDerWaalsContact CD2-CB 3.48Å; H290-N314 WeakPolarHBondContact CD2-CB 3.23Å; H290-N314 PolarHBondContact CD2-ND2 2.96Å
291	L	98.1	Very high	95.2	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.8	177.9	-179.7	70.2	0	0	0	110	L257 V288 L293 F306 L309 V312 N314 I315 D316	L257-L291 HydrophobicContact CB-CD1 4.38Å; L257-L291 HydrophobicContact CD2-CD1 4.22Å; L257-L291 HydrophobicContact CG-CD1 4.44Å; V288-L291 HydrophobicContact CG1-CB 4.45Å; L291-L293 HydrophobicContact CD1-CD2 4.39Å; L291-L293 HydrophobicContact CD1-CG 4.29Å; L291-L293 HydrophobicContact CD2-CD1 3.77Å; L291-L293 HydrophobicContact CD2-CG 4.11Å; L291-L293 HydrophobicContact CG-CD1 4.22Å; L291-L293 HydrophobicContact CG-CG 3.98Å; L291-F306 HydrophobicContact CD2-CD1 3.94Å; L291-F306 HydrophobicContact CD2-CE1 3.85Å; L291-L309 HydrophobicContact CD2-CD1 3.55Å; L291-V312 HydrophobicContact CB-CG1 4.41Å; L291-N314 PolarHBondContact N-O 2.8Å; L291-I315 HydrophobicContact CB-CG1 4.44Å; L291-I315 WeakPolarHBondContact O-CA 3.38Å; L291-D316 PolarHBondContact O-N 2.96Å
292	D	98.1	Very high	95.2	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.9	174.8	-179.6	-7.4	0	0	0	109.6	L257 K258 C259 S294	L257-D292 PolarHBondContact O-N 3.13Å; K258-D292 HydrophobicContact CB-CB 4.21Å; K258-D292 HydrophobicContact CG-CB 3.95Å; C259-D292 PolarHBondContact N-O 2.69Å; D292-S294 WeakPolarHBondContact OD1-CB 3.42Å; D292-S294 PolarHBondContact OD1-N 2.75Å; D292-S294 PolarHBondContact OD1-OG 2.98Å
293	L	95.9	Very high	95.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.2	C	C	.	.			trans	-115.4	26.5	172.7	-63.2	174.3	0	0	0	111	C259 L263 F280 L291 N296 I298 F306 D316 I317 N320	C259-L293 HydrophobicContact CB-CD2 3.96Å; L263-L293 HydrophobicContact CD1-CD2 4.3Å; F280-L293 HydrophobicContact CE1-CD2 4.31Å; F280-L293 HydrophobicContact CE2-CD1 4.19Å; F280-L293 HydrophobicContact CZ-CD1 3.66Å; F280-L293 HydrophobicContact CZ-CD2 3.99Å; F280-L293 HydrophobicContact CZ-CG 4.44Å; L291-L293 HydrophobicContact CD1-CD2 4.39Å; L291-L293 HydrophobicContact CD1-CG 4.29Å; L291-L293 HydrophobicContact CD2-CD1 3.77Å; L291-L293 HydrophobicContact CD2-CG 4.11Å; L291-L293 HydrophobicContact CG-CD1 4.22Å; L291-L293 HydrophobicContact CG-CG 3.98Å; L293-N296 WeakPolarHBondContact CA-ND2 3.48Å; L293-N296 PolarHBondContact O-ND2 3.2Å; L293-I298 HydrophobicContact CB-CD1 4.43Å; L293-F306 HydrophobicContact CD1-CE1 3.67Å; L293-F306 HydrophobicContact CD1-CZ 4.14Å; L293-D316 CarbonylContact C-O 3.59Å; L293-D316 WeakPolarHBondContact CA-O 3.38Å; L293-D316 PolarHBondContact N-O 3.38Å; L293-I317 HydrophobicContact CB-CG1 4.24Å; L293-I317 HydrophobicContact CB-CG2 4.4Å; L293-N320 PolarHBondContact O-ND2 3.09Å
294	S	96.2	Very high	95.2	Very high	24 Å²	24	37.8 Å²	37.8	17%	0.168	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	148.7	177.8	65.2	0	0	0	0	111.6	S260 D292 N296 D316 S318	S260-S294 WeakPolarHBondContact CA-O 3.42Å; S260-S294 WeakPolarHBondContact CB-O 3.47Å; D292-S294 WeakPolarHBondContact OD1-CB 3.42Å; D292-S294 PolarHBondContact OD1-N 2.75Å; D292-S294 PolarHBondContact OD1-OG 2.98Å; S294-N296 PolarHBondContact O-N 3.29Å; S294-D316 PolarHBondContact N-O 3.35Å; S294-S318 CarbonylContact C-O 3.51Å; S294-S318 WeakPolarHBondContact CA-O 3.24Å; S294-S318 WeakPolarHBondContact CB-O 3.21Å
295	G	93	Very high	95.3	Very high	33 Å²	33	33.5 Å²	33.5	34%	0.34	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	28.2	172.3	0	0	0	0	0	115.8	S318 R319	G295-S318 PolarHBondContact N-O 2.89Å; G295-R319 VanDerWaalsContact CA-O 3.26Å; G295-R319 WeakPolarHBondContact CA-O 3.48Å; G295-R319 PolarHBondContact N-O 2.96Å
296	N	91.5	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-98.7	1.1	-174.8	-85.9	-57.5	0	0	0	116.5	C259 S260 G261 L263 G264 L293 S294 I298 N320	C259-N296 PolarHBondContact O-ND2 2.95Å; C259-N296 PolarHBondContact O-OD1 3.39Å; S260-N296 VanDerWaalsContact C-OD1 3.28Å; G261-N296 WeakPolarHBondContact CA-OD1 3.28Å; G261-N296 PolarHBondContact N-OD1 3.13Å; G261-N296 CarbonylContact O-C 3.12Å; G261-N296 WeakPolarHBondContact O-CA 3.3Å; L263-N296 HydrophobicContact CB-CB 4.16Å; L263-N296 WeakPolarHBondContact CD1-OD1 3.44Å; L263-N296 HydrophobicContact CG-CB 4.49Å; L263-N296 WeakPolarHBondContact CG-OD1 3.35Å; L263-N296 PolarHBondContact N-O 3.22Å; G264-N296 PolarHBondContact N-O 3.23Å; L293-N296 WeakPolarHBondContact CA-ND2 3.48Å; L293-N296 PolarHBondContact O-ND2 3.2Å; S294-N296 PolarHBondContact O-N 3.29Å; N296-I298 HydrophobicContact CB-CD1 3.84Å; N296-I298 HydrophobicContact CB-CG1 3.75Å; N296-I298 PolarHBondContact O-N 2.96Å; N296-N320 VanDerWaalsContact C-OD1 3.22Å; N296-N320 WeakPolarHBondContact CA-OD1 3.1Å; N296-N320 VanDerWaalsContact CB-OD1 3.24Å; N296-N320 WeakPolarHBondContact CB-OD1 3.35Å; N296-N320 PolarHBondContact N-OD1 3.08Å
297	R	90.6	Very high	95.3	Very high	100 Å²	100	33.1 Å²	33.1	38%	0.377	18%	0.175	S	C	.	.			trans	59.3	22	-174	-47.5	178.2	-176.2	177.1	5.8	113.7	G264 D266 F299 N320 K321	G264-R297 WeakPolarHBondContact CA-O 3.16Å; D266-R297 IonicContact OD2-CZ 3.74Å; D266-R297 IonicContact OD2-NH1 3.8Å; D266-R297 PolarHBondContact OD2-NH1 3.38Å; R297-F299 PolarHBondContact O-N 3.11Å; R297-N320 PolarHBondContact N-OD1 3.23Å; R297-K321 HydrophobicContact CB-CD 4.38Å
298	I	92.6	Very high	95.3	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	16%	0.157	C	C	.	.			trans	-60.7	129.2	178.1	-61.7	167.4	0	0	0	109	P275 L293 N296 L301 I317 N320 K321 I322	P275-I298 HydrophobicContact CG-CD1 4.27Å; P275-I298 HydrophobicContact CG-CG1 4.37Å; L293-I298 HydrophobicContact CB-CD1 4.43Å; N296-I298 HydrophobicContact CB-CD1 3.84Å; N296-I298 HydrophobicContact CB-CG1 3.75Å; N296-I298 PolarHBondContact O-N 2.96Å; I298-L301 HydrophobicContact CG2-CD2 4.09Å; I298-I317 HydrophobicContact CD1-CG2 4.08Å; I298-N320 HydrophobicContact CB-CB 4.35Å; I298-N320 PolarHBondContact N-OD1 2.84Å; I298-K321 CarbonylContact O-C 3.44Å; I298-K321 VanDerWaalsContact O-CA 3.3Å; I298-K321 WeakPolarHBondContact O-CA 3.36Å; I298-K321 PolarHBondContact O-N 2.86Å; I298-I322 HydrophobicContact CB-CG1 4.29Å; I298-I322 HydrophobicContact CG2-CD1 4.49Å; I298-I322 HydrophobicContact CG2-CG1 4.1Å; I298-I322 WeakPolarHBondContact O-CG1 3.13Å; I298-I322 PolarHBondContact O-N 2.76Å
299	F	92.8	Very high	95.2	Very high	76 Å²	76	30.5 Å²	30.5	33%	0.333	16%	0.157	S	C	.	.			trans	-99.2	-38.7	-179.2	175.5	-97.1	0	0	0	112.9	K265 D274 R297 I322 N323 V324	K265-F299 HydrophobicContact CB-CB 4.1Å; K265-F299 HydrophobicContact CD-CB 4.48Å; K265-F299 HydrophobicContact CD-CD1 4.34Å; D274-F299 PolarHBondContact OD1-N 3.41Å; R297-F299 PolarHBondContact O-N 3.11Å; F299-I322 WeakPolarHBondContact O-CA 3.21Å; F299-N323 HydrophobicContact CD2-CB 4.36Å; F299-N323 HydrophobicContact CE2-CB 3.77Å; F299-N323 HydrophobicContact CZ-CB 4.13Å; F299-N323 PolarHBondContact O-N 3.12Å; F299-V324 HydrophobicContact CE1-CG2 4.2Å; F299-V324 HydrophobicContact CZ-CG2 4.4Å; F299-V324 PolarHBondContact O-N 2.89Å
300	A	94.1	Very high	94.9	Very high	8 Å²	8	32.9 Å²	32.9	7%	0.066	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.7	-179.5	0	0	0	0	0	111.9	K302 V324	A300-K302 PolarHBondContact O-N 2.96Å; A300-V324 CarbonylContact C-O 2.98Å; A300-V324 VanDerWaalsContact CA-O 3.28Å; A300-V324 WeakPolarHBondContact CA-O 3.36Å; A300-V324 HydrophobicContact CB-CB 4.13Å
301	L	95.9	Very high	94.7	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	105.9	166.5	-63	-174.9	0	0	0	108.9	I298 F306 I317 I322 V324 I325 E326 A329 F330 L342	I298-L301 HydrophobicContact CG2-CD2 4.09Å; L301-F306 HydrophobicContact CD2-CZ 4.46Å; L301-I317 HydrophobicContact CD1-CD1 4.21Å; L301-I317 HydrophobicContact CD2-CD1 4.2Å; L301-I322 HydrophobicContact CD1-CD1 4.1Å; L301-I322 HydrophobicContact CD2-CD1 3.86Å; L301-I322 HydrophobicContact CG-CD1 3.89Å; L301-I322 HydrophobicContact CG-CG1 4.47Å; L301-I322 HydrophobicContact CG-CG2 4.25Å; L301-V324 PolarHBondContact N-O 3Å; L301-I325 HydrophobicContact CB-CG2 4.39Å; L301-I325 HydrophobicContact CD1-CD1 4.44Å; L301-I325 HydrophobicContact CD1-CG1 4.21Å; L301-E326 WeakPolarHBondContact O-CB 3.26Å; L301-E326 PolarHBondContact O-N 3.24Å; L301-A329 HydrophobicContact CB-CB 4.06Å; L301-F330 HydrophobicContact CD1-CE1 4.1Å; L301-F330 HydrophobicContact CD1-CZ 3.72Å; L301-L342 HydrophobicContact CD1-CD2 4.2Å
302	K	95.6	Very high	94.6	Very high	49 Å²	49	32.9 Å²	32.9	21%	0.213	17%	0.165	C	C	.	.			trans	-74.4	157	-179.4	-67.3	-177.2	-177.8	157.7	0	112.3	D274 P275 D276 A300 G304 V305 E326 A329	D274-K302 PolarHBondContact O-NZ 3.03Å; P275-K302 WeakPolarHBondContact O-CD 3.21Å; D276-K302 HydrophobicContact CB-CD 3.94Å; A300-K302 PolarHBondContact O-N 2.96Å; K302-G304 PolarHBondContact O-N 2.82Å; K302-V305 WeakPolarHBondContact O-CB 3.5Å; K302-V305 WeakPolarHBondContact O-CG1 3.39Å; K302-V305 PolarHBondContact O-N 3.19Å; K302-V305 VanDerWaalsContact O-N 3.16Å; K302-E326 WeakPolarHBondContact CA-OE2 3.28Å; K302-A329 WeakPolarHBondContact O-CA 3.45Å
303	T	96.1	Very high	94.6	Very high	70 Å²	70	32.4 Å²	32.4	43%	0.429	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	119.8	175.8	-55.5	0	0	0	0	111.5	V305 E326 T327 N328	T303-V305 VanDerWaalsContact C-N 3.3Å; T303-V305 PolarHBondContact O-N 2.91Å; T303-E326 PolarHBondContact N-OE2 3.15Å; T303-E326 PolarHBondContact OG1-OE2 3.39Å; T303-T327 PolarHBondContact OG1-O 3.01Å; T303-N328 HydrophobicContact CG2-CB 4.2Å
304	G	96	Very high	94.7	Very high	3 Å²	3	34.2 Å²	34.2	3%	0.031	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	29.1	177.6	0	0	0	0	0	116.1	K277 K302 F306 R307 N328 A329	K277-G304 WeakPolarHBondContact CA-O 3.31Å; K277-G304 WeakPolarHBondContact CB-O 3.35Å; K302-G304 PolarHBondContact O-N 2.82Å; G304-F306 PolarHBondContact O-N 3.16Å; G304-R307 WeakPolarHBondContact O-CB 3.3Å; G304-R307 VanDerWaalsContact O-CG 3.26Å; G304-R307 WeakPolarHBondContact O-CG 3.49Å; G304-R307 PolarHBondContact O-N 3.29Å; G304-R307 VanDerWaalsContact O-N 3.17Å; G304-N328 PolarHBondContact N-O 2.84Å; G304-A329 PolarHBondContact N-O 2.65Å
305	V	96.4	Very high	94.9	Very high	3 Å²	3	33 Å²	33	2%	0.018	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-33.2	178	62.7	0	0	0	0	112.7	P275 F280 K302 T303 A329	P275-V305 HydrophobicContact CB-CG2 3.75Å; F280-V305 WeakPolarHBondContact CD2-O 3.13Å; F280-V305 HydrophobicContact CE2-CG2 4.19Å; K302-V305 WeakPolarHBondContact O-CB 3.5Å; K302-V305 WeakPolarHBondContact O-CG1 3.39Å; K302-V305 PolarHBondContact O-N 3.19Å; K302-V305 VanDerWaalsContact O-N 3.16Å; T303-V305 VanDerWaalsContact C-N 3.3Å; T303-V305 PolarHBondContact O-N 2.91Å; V305-A329 PolarHBondContact N-O 2.96Å
306	F	96.3	Very high	95.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	6.6	-179	-55.8	-58.3	0	0	0	115	F280 L291 L293 L301 G304 A308 L309 I315 I317 F330 L333	F280-F306 HydrophobicContact CD2-CD1 4.26Å; F280-F306 HydrophobicContact CE2-CD1 4.16Å; F280-F306 AromaticContact CE2-CE1 3.95Å; F280-F306 HydrophobicContact CE2-CE1 3.95Å; L291-F306 HydrophobicContact CD2-CD1 3.94Å; L291-F306 HydrophobicContact CD2-CE1 3.85Å; L293-F306 HydrophobicContact CD1-CE1 3.67Å; L293-F306 HydrophobicContact CD1-CZ 4.14Å; L301-F306 HydrophobicContact CD2-CZ 4.46Å; G304-F306 PolarHBondContact O-N 3.16Å; F306-A308 PolarHBondContact O-N 2.76Å; F306-L309 HydrophobicContact CD1-CD1 4.36Å; F306-L309 PolarHBondContact O-N 2.93Å; F306-I315 HydrophobicContact CD1-CD1 4.42Å; F306-I315 HydrophobicContact CD2-CD1 4.08Å; F306-I315 HydrophobicContact CE2-CD1 4.47Å; F306-I315 HydrophobicContact CG-CD1 4.07Å; F306-I317 HydrophobicContact CE2-CD1 3.69Å; F306-I317 HydrophobicContact CZ-CD1 3.42Å; F306-I317 VanDerWaalsContact CZ-CD1 3.42Å; F306-I317 HydrophobicContact CZ-CG1 4.31Å; F306-F330 HydrophobicContact CD2-CD1 4.05Å; F306-F330 HydrophobicContact CD2-CE1 4.34Å; F306-F330 HydrophobicContact CE2-CD1 4.29Å; F306-F330 HydrophobicContact CE2-CE1 4.11Å; F306-L333 HydrophobicContact CB-CD1 3.7Å; F306-L333 HydrophobicContact CB-CD2 4.19Å; F306-L333 HydrophobicContact CB-CG 4.09Å; F306-L333 HydrophobicContact CD2-CD1 4.12Å; F306-L333 HydrophobicContact CG-CD1 4.21Å
307	R	94.9	Very high	95.4	Very high	96 Å²	96	33.3 Å²	33.3	36%	0.362	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25	-170	71.9	-177.1	177.5	156.3	-1.6	115.7	K277 D278 G304 I331	K277-R307 PolarHBondContact O-NE 3.17Å; K277-R307 PolarHBondContact O-NH2 3.32Å; D278-R307 IonicContact OD1-NH2 3.48Å; D278-R307 PolarHBondContact OD1-NH2 3.24Å; G304-R307 WeakPolarHBondContact O-CB 3.3Å; G304-R307 VanDerWaalsContact O-CG 3.26Å; G304-R307 WeakPolarHBondContact O-CG 3.49Å; G304-R307 PolarHBondContact O-N 3.29Å; G304-R307 VanDerWaalsContact O-N 3.17Å; R307-I331 WeakPolarHBondContact CA-O 3.47Å
308	A	94.9	Very high	95.8	Very high	8 Å²	8	28.9 Å²	28.9	7%	0.066	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.6	-178.7	0	0	0	0	0	112.6	F280 F306 K310	F280-A308 WeakPolarHBondContact O-CB 3.4Å; F306-A308 PolarHBondContact O-N 2.76Å; A308-K310 VanDerWaalsContact C-N 3.33Å; A308-K310 PolarHBondContact O-N 3.24Å; A308-K310 VanDerWaalsContact O-N 3.15Å
309	L	95.3	Very high	96	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	17%	0.173	C	C	.	.			trans	-93.3	61.1	-171.7	-61.2	-179.5	0	0	0	111.2	F280 L283 V288 L291 F306 D311 V312 L333	F280-L309 HydrophobicContact CB-CD1 4.01Å; F280-L309 HydrophobicContact CB-CD2 4.14Å; F280-L309 HydrophobicContact CB-CG 3.96Å; F280-L309 HydrophobicContact CD1-CD1 4.36Å; F280-L309 HydrophobicContact CD2-CD1 4.42Å; F280-L309 HydrophobicContact CG-CD1 4.02Å; L283-L309 HydrophobicContact CB-CD2 3.73Å; L283-L309 HydrophobicContact CD1-CD2 4.33Å; V288-L309 HydrophobicContact CB-CD2 4.41Å; V288-L309 HydrophobicContact CG2-CD2 4.42Å; L291-L309 HydrophobicContact CD2-CD1 3.55Å; F306-L309 HydrophobicContact CD1-CD1 4.36Å; F306-L309 PolarHBondContact O-N 2.93Å; L309-D311 PolarHBondContact O-N 3.47Å; L309-V312 HydrophobicContact CB-CB 4.34Å; L309-V312 HydrophobicContact CB-CG2 3.61Å; L309-V312 HydrophobicContact CD1-CG2 4.27Å; L309-V312 HydrophobicContact CG-CG2 4.44Å; L309-V312 WeakPolarHBondContact O-CB 3.42Å; L309-V312 PolarHBondContact O-N 2.76Å; L309-L333 WeakPolarHBondContact O-CD2 3.37Å
310	K	90.3	Very high	96.1	Very high	108 Å²	108	33.2 Å²	33.2	47%	0.47	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.9	-170.1	-66.5	168.8	-179.8	161.1	0	113.7	E284 A308 N336	E284-K310 IonicContact OE1-NZ 2.78Å; E284-K310 PolarHBondContact OE1-NZ 2.8Å; A308-K310 VanDerWaalsContact C-N 3.33Å; A308-K310 PolarHBondContact O-N 3.24Å; A308-K310 VanDerWaalsContact O-N 3.15Å; K310-N336 WeakPolarHBondContact O-CB 3.47Å; K310-N336 PolarHBondContact O-ND2 3.42Å
311	D	94.4	Very high	96.1	Very high	75 Å²	75	35.8 Å²	35.8	40%	0.401	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.8	-176.9	-61.3	-33.6	0	0	0	113.7	V288 L309 G313	V288-D311 CarbonylContact O-C 3.02Å; V288-D311 VanDerWaalsContact O-C 3.27Å; L309-D311 PolarHBondContact O-N 3.47Å; D311-G313 PolarHBondContact O-N 3.25Å
312	V	96.6	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.169	C	C	.	.			trans	-71.4	121.6	-174.5	172.7	0	0	0	0	111	V288 V289 L291 L309 N314 I315 N336 L337	V288-V312 HydrophobicContact CB-CG2 4.09Å; V288-V312 HydrophobicContact CG1-CG2 3.99Å; V288-V312 WeakPolarHBondContact O-CA 3.43Å; V288-V312 WeakPolarHBondContact O-CG2 3.49Å; V288-V312 PolarHBondContact O-N 2.77Å; V289-V312 WeakPolarHBondContact O-CA 3.24Å; L291-V312 HydrophobicContact CB-CG1 4.41Å; L309-V312 HydrophobicContact CB-CB 4.34Å; L309-V312 HydrophobicContact CB-CG2 3.61Å; L309-V312 HydrophobicContact CD1-CG2 4.27Å; L309-V312 HydrophobicContact CG-CG2 4.44Å; L309-V312 WeakPolarHBondContact O-CB 3.42Å; L309-V312 PolarHBondContact O-N 2.76Å; V312-N314 WeakPolarHBondContact CG1-O 3.34Å; V312-I315 HydrophobicContact CG1-CD1 3.88Å; V312-I315 HydrophobicContact CG1-CG1 3.36Å; V312-N336 CarbonylContact O-C 3.4Å; V312-L337 HydrophobicContact CG1-CD1 4.33Å
313	G	97.7	Very high	96.1	Very high	13 Å²	13	37.1 Å²	37.1	13%	0.134	18%	0.179	C	C	.	.			trans	-102.3	-21.2	174.5	0	0	0	0	0	114.5	V289 D311 N336 L338 Q339	V289-G313 PolarHBondContact O-N 3.31Å; D311-G313 PolarHBondContact O-N 3.25Å; G313-N336 VanDerWaalsContact CA-O 3.23Å; G313-N336 WeakPolarHBondContact CA-O 3.22Å; G313-L338 PolarHBondContact O-N 2.63Å; G313-Q339 PolarHBondContact O-N 2.8Å
314	N	98.6	Very high	96	Very high	38 Å²	38	36.6 Å²	36.6	20%	0.203	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.6	179.2	-178.2	2.6	0	0	0	110.9	V289 H290 L291 V312 Q339	V289-N314 PolarHBondContact O-N 3.41Å; V289-N314 VanDerWaalsContact O-N 3.16Å; H290-N314 WeakPolarHBondContact CA-O 3.19Å; H290-N314 VanDerWaalsContact CD2-CB 3.48Å; H290-N314 WeakPolarHBondContact CD2-CB 3.23Å; H290-N314 PolarHBondContact CD2-ND2 2.96Å; L291-N314 PolarHBondContact N-O 2.8Å; V312-N314 WeakPolarHBondContact CG1-O 3.34Å; N314-Q339 WeakPolarHBondContact CA-O 3.09Å; N314-Q339 HydrophobicContact CB-CB 4.31Å
315	I	98.4	Very high	96	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.7	174.6	-68.5	179.8	0	0	0	109.6	L291 F306 V312 I317 L333 L337 Q339 L340 N341	L291-I315 HydrophobicContact CB-CG1 4.44Å; L291-I315 WeakPolarHBondContact O-CA 3.38Å; F306-I315 HydrophobicContact CD1-CD1 4.42Å; F306-I315 HydrophobicContact CD2-CD1 4.08Å; F306-I315 HydrophobicContact CE2-CD1 4.47Å; F306-I315 HydrophobicContact CG-CD1 4.07Å; V312-I315 HydrophobicContact CG1-CD1 3.88Å; V312-I315 HydrophobicContact CG1-CG1 3.36Å; I315-I317 HydrophobicContact CG2-CD1 3.42Å; I315-I317 VanDerWaalsContact CG2-CD1 3.42Å; I315-I317 HydrophobicContact CG2-CG1 3.46Å; I315-I317 VanDerWaalsContact CG2-CG1 3.46Å; I315-L333 HydrophobicContact CD1-CD1 3.45Å; I315-L333 VanDerWaalsContact CD1-CD1 3.45Å; I315-L337 HydrophobicContact CB-CD1 4.05Å; I315-L337 HydrophobicContact CD1-CD1 3.74Å; I315-L337 HydrophobicContact CG1-CD1 3.63Å; I315-Q339 PolarHBondContact N-O 3.36Å; I315-L340 HydrophobicContact CB-CD1 3.99Å; I315-L340 HydrophobicContact CG2-CD1 3.84Å; I315-L340 WeakPolarHBondContact O-CA 3.39Å; I315-N341 PolarHBondContact O-N 3.17Å
316	D	98.7	Very high	96	Very high	39 Å²	39	40.5 Å²	40.5	21%	0.209	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.4	167.8	-165.9	-30.1	0	0	0	110	L291 L293 S294 S318 N341	L291-D316 PolarHBondContact O-N 2.96Å; L293-D316 CarbonylContact C-O 3.59Å; L293-D316 WeakPolarHBondContact CA-O 3.38Å; L293-D316 PolarHBondContact N-O 3.38Å; S294-D316 PolarHBondContact N-O 3.35Å; D316-S318 WeakPolarHBondContact OD1-CB 3.48Å; D316-S318 PolarHBondContact OD1-N 2.73Å; D316-S318 PolarHBondContact OD1-OG 3.35Å; D316-N341 HydrophobicContact CB-CB 4.44Å; D316-N341 PolarHBondContact OD2-ND2 3.44Å
317	I	97.3	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.			trans	-125.2	30.4	171.8	-45.6	155.6	0	0	0	109.1	L293 I298 L301 F306 I315 N320 I322 N341 L342 N345	L293-I317 HydrophobicContact CB-CG1 4.24Å; L293-I317 HydrophobicContact CB-CG2 4.4Å; I298-I317 HydrophobicContact CD1-CG2 4.08Å; L301-I317 HydrophobicContact CD1-CD1 4.21Å; L301-I317 HydrophobicContact CD2-CD1 4.2Å; F306-I317 HydrophobicContact CE2-CD1 3.69Å; F306-I317 HydrophobicContact CZ-CD1 3.42Å; F306-I317 VanDerWaalsContact CZ-CD1 3.42Å; F306-I317 HydrophobicContact CZ-CG1 4.31Å; I315-I317 HydrophobicContact CG2-CD1 3.42Å; I315-I317 VanDerWaalsContact CG2-CD1 3.42Å; I315-I317 HydrophobicContact CG2-CG1 3.46Å; I315-I317 VanDerWaalsContact CG2-CG1 3.46Å; I317-N320 HydrophobicContact CG2-CB 4.41Å; I317-N320 VanDerWaalsContact CG2-ND2 3.34Å; I317-N320 WeakPolarHBondContact CG2-ND2 3.25Å; I317-N320 PolarHBondContact O-ND2 3.4Å; I317-I322 HydrophobicContact CB-CD1 4.26Å; I317-I322 HydrophobicContact CG2-CD1 3.48Å; I317-I322 VanDerWaalsContact CG2-CD1 3.48Å; I317-N341 CarbonylContact C-O 3.05Å; I317-N341 PolarHBondContact N-O 2.93Å; I317-L342 HydrophobicContact CB-CD2 4.4Å; I317-N345 PolarHBondContact O-ND2 3.48Å
318	S	98.3	Very high	95.8	Very high	7 Å²	7	42 Å²	42	5%	0.049	21%	0.211	C	C	.	.			trans	-67.2	164.1	177.7	65.9	0	0	0	0	112.4	S294 G295 D316 N320 N341 S343	S294-S318 CarbonylContact C-O 3.51Å; S294-S318 WeakPolarHBondContact CA-O 3.24Å; S294-S318 WeakPolarHBondContact CB-O 3.21Å; G295-S318 PolarHBondContact N-O 2.89Å; D316-S318 WeakPolarHBondContact OD1-CB 3.48Å; D316-S318 PolarHBondContact OD1-N 2.73Å; D316-S318 PolarHBondContact OD1-OG 3.35Å; S318-N320 PolarHBondContact O-N 3.43Å; S318-N320 VanDerWaalsContact O-N 3.15Å; S318-N320 PolarHBondContact O-ND2 2.94Å; S318-N320 VanDerWaalsContact O-ND2 3.08Å; S318-N341 PolarHBondContact N-O 3.08Å; S318-S343 CarbonylContact C-O 3.58Å; S318-S343 WeakPolarHBondContact CA-O 3.21Å; S318-S343 VanDerWaalsContact CB-O 3.28Å; S318-S343 WeakPolarHBondContact CB-O 3.25Å; S318-S343 WeakPolarHBondContact CB-OG 3.39Å
319	R	96.8	Very high	95.9	Very high	159 Å²	159	41.7 Å²	41.7	60%	0.6	21%	0.208	S	C	*	.	S	Bend	trans	57	34	175.8	-54.7	177.8	-179.5	-81.1	-4.4	112.9	G295 S343 F344	G295-R319 VanDerWaalsContact CA-O 3.26Å; G295-R319 WeakPolarHBondContact CA-O 3.48Å; G295-R319 PolarHBondContact N-O 2.96Å; R319-S343 PolarHBondContact N-O 3.38Å; R319-F344 CarbonylContact C-O 3.48Å; R319-F344 WeakPolarHBondContact CA-O 3.4Å; R319-F344 HydrophobicContact CB-CB 4.39Å; R319-F344 HydrophobicContact CG-CB 3.83Å; R319-F344 HydrophobicContact CG-CD2 4.39Å; R319-F344 HydrophobicContact CG-CG 4.25Å; R319-F344 PolarHBondContact N-O 3.44Å
320	N	95.4	Very high	95.9	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.059	21%	0.209	C	C	.	.	S	Bend	trans	-102.7	-164.9	174.4	-84.7	-78.3	0	0	0	110.1	L293 N296 R297 I298 I317 S318 I322 F344 N345	L293-N320 PolarHBondContact O-ND2 3.09Å; N296-N320 VanDerWaalsContact C-OD1 3.22Å; N296-N320 WeakPolarHBondContact CA-OD1 3.1Å; N296-N320 VanDerWaalsContact CB-OD1 3.24Å; N296-N320 WeakPolarHBondContact CB-OD1 3.35Å; N296-N320 PolarHBondContact N-OD1 3.08Å; R297-N320 PolarHBondContact N-OD1 3.23Å; I298-N320 HydrophobicContact CB-CB 4.35Å; I298-N320 PolarHBondContact N-OD1 2.84Å; I317-N320 HydrophobicContact CG2-CB 4.41Å; I317-N320 VanDerWaalsContact CG2-ND2 3.34Å; I317-N320 WeakPolarHBondContact CG2-ND2 3.25Å; I317-N320 PolarHBondContact O-ND2 3.4Å; S318-N320 PolarHBondContact O-N 3.43Å; S318-N320 VanDerWaalsContact O-N 3.15Å; S318-N320 PolarHBondContact O-ND2 2.94Å; S318-N320 VanDerWaalsContact O-ND2 3.08Å; N320-I322 HydrophobicContact CB-CD1 4.22Å; N320-I322 HydrophobicContact CB-CG1 4.02Å; N320-F344 PolarHBondContact N-O 2.92Å; N320-N345 VanDerWaalsContact CA-OD1 3.25Å; N320-N345 WeakPolarHBondContact CA-OD1 3.4Å; N320-N345 WeakPolarHBondContact CB-OD1 3.34Å; N320-N345 PolarHBondContact N-OD1 3.13Å; N320-N345 PolarHBondContact O-OD1 2.96Å
321	K	94.2	Very high	96.1	Very high	61 Å²	61	40 Å²	40	27%	0.265	20%	0.204	S	C	.	.			trans	-117.5	29.2	176.6	-64.6	-177.1	179	178.9	0	110.6	D266 R297 I298 N323 N345 L346	D266-K321 IonicContact OD1-NZ 2.75Å; R297-K321 HydrophobicContact CB-CD 4.38Å; I298-K321 CarbonylContact O-C 3.44Å; I298-K321 VanDerWaalsContact O-CA 3.3Å; I298-K321 WeakPolarHBondContact O-CA 3.36Å; I298-K321 PolarHBondContact O-N 2.86Å; K321-N323 PolarHBondContact O-N 3.02Å; K321-N323 VanDerWaalsContact O-N 3.11Å; K321-N345 PolarHBondContact N-OD1 3.36Å; K321-L346 HydrophobicContact CB-CD1 4.02Å; K321-L346 HydrophobicContact CG-CD1 4.44Å
322	I	96	Very high	96	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.			trans	-67	118.1	-170.4	-61.8	168.2	0	0	0	108.4	I298 F299 L301 I317 N320 I325 L342 N345 L346 L347	I298-I322 HydrophobicContact CB-CG1 4.29Å; I298-I322 HydrophobicContact CG2-CD1 4.49Å; I298-I322 HydrophobicContact CG2-CG1 4.1Å; I298-I322 WeakPolarHBondContact O-CG1 3.13Å; I298-I322 PolarHBondContact O-N 2.76Å; F299-I322 WeakPolarHBondContact O-CA 3.21Å; L301-I322 HydrophobicContact CD1-CD1 4.1Å; L301-I322 HydrophobicContact CD2-CD1 3.86Å; L301-I322 HydrophobicContact CG-CD1 3.89Å; L301-I322 HydrophobicContact CG-CG1 4.47Å; L301-I322 HydrophobicContact CG-CG2 4.25Å; I317-I322 HydrophobicContact CB-CD1 4.26Å; I317-I322 HydrophobicContact CG2-CD1 3.48Å; I317-I322 VanDerWaalsContact CG2-CD1 3.48Å; N320-I322 HydrophobicContact CB-CD1 4.22Å; N320-I322 HydrophobicContact CB-CG1 4.02Å; I322-I325 HydrophobicContact CG2-CG1 4.07Å; I322-L342 HydrophobicContact CD1-CD2 3.98Å; I322-N345 HydrophobicContact CB-CB 4.23Å; I322-N345 WeakPolarHBondContact CB-OD1 3.44Å; I322-N345 WeakPolarHBondContact CG1-OD1 3.44Å; I322-N345 PolarHBondContact N-OD1 3.28Å; I322-L346 CarbonylContact O-C 3.28Å; I322-L346 WeakPolarHBondContact O-CA 3.43Å; I322-L346 PolarHBondContact O-N 3.26Å; I322-L347 HydrophobicContact CG2-CD2 3.89Å; I322-L347 PolarHBondContact O-N 3.41Å
323	N	94.8	Very high	95.9	Very high	81 Å²	81	37.8 Å²	37.8	43%	0.433	20%	0.198	S	C	.	.			trans	-115.9	-20.4	173.3	-177.8	-111.7	0	0	0	111.5	F299 K321 L346	F299-N323 HydrophobicContact CD2-CB 4.36Å; F299-N323 HydrophobicContact CE2-CB 3.77Å; F299-N323 HydrophobicContact CZ-CB 4.13Å; F299-N323 PolarHBondContact O-N 3.12Å; K321-N323 PolarHBondContact O-N 3.02Å; K321-N323 VanDerWaalsContact O-N 3.11Å; N323-L346 HydrophobicContact CB-CB 4.32Å; N323-L346 PolarHBondContact ND2-O 3.08Å
324	V	94.1	Very high	95.6	Very high	59 Å²	59	40 Å²	40	36%	0.358	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.7	-177.6	-177.8	0	0	0	0	110.6	F299 A300 L301	F299-V324 HydrophobicContact CE1-CG2 4.2Å; F299-V324 HydrophobicContact CZ-CG2 4.4Å; F299-V324 PolarHBondContact O-N 2.89Å; A300-V324 CarbonylContact C-O 2.98Å; A300-V324 VanDerWaalsContact CA-O 3.28Å; A300-V324 WeakPolarHBondContact CA-O 3.36Å; A300-V324 HydrophobicContact CB-CB 4.13Å; L301-V324 PolarHBondContact N-O 3Å
325	I	96.6	Very high	95.1	Very high	16 Å²	16	48.1 Å²	48.1	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.3	166.8	-57.1	179	0	0	0	106.7	L301 I322 A329 F330 L342 L347 T354 F355	L301-I325 HydrophobicContact CB-CG2 4.39Å; L301-I325 HydrophobicContact CD1-CD1 4.44Å; L301-I325 HydrophobicContact CD1-CG1 4.21Å; I322-I325 HydrophobicContact CG2-CG1 4.07Å; I325-A329 HydrophobicContact CG2-CB 3.76Å; I325-F330 HydrophobicContact CG2-CE2 3.88Å; I325-F330 HydrophobicContact CG2-CZ 4.49Å; I325-L342 HydrophobicContact CD1-CD1 4.2Å; I325-L347 HydrophobicContact CD1-CD1 4.22Å; I325-L347 HydrophobicContact CD1-CD2 3.9Å; I325-L347 HydrophobicContact CG1-CD2 3.96Å; I325-T354 HydrophobicContact CB-CG2 4.19Å; I325-T354 HydrophobicContact CD1-CG2 3.89Å; I325-T354 HydrophobicContact CG2-CG2 4.03Å; I325-F355 HydrophobicContact CD1-CZ 4.44Å
326	E	95.5	Very high	94.9	Very high	73 Å²	73	51.3 Å²	51.3	34%	0.341	25%	0.25	S	C	.	.			trans	-68.9	153.2	177.9	-68.6	-177.7	-178.8	0	0	111.2	L301 K302 T303 N328 A329	L301-E326 WeakPolarHBondContact O-CB 3.26Å; L301-E326 PolarHBondContact O-N 3.24Å; K302-E326 WeakPolarHBondContact CA-OE2 3.28Å; T303-E326 PolarHBondContact N-OE2 3.15Å; T303-E326 PolarHBondContact OG1-OE2 3.39Å; E326-N328 PolarHBondContact O-N 3.15Å; E326-A329 VanDerWaalsContact O-CB 3.29Å; E326-A329 WeakPolarHBondContact O-CB 3.45Å; E326-A329 PolarHBondContact O-N 3.31Å
327	T	93.9	Very high	94.8	Very high	63 Å²	63	49.5 Å²	49.5	39%	0.387	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	133.5	173.6	-57.6	0	0	0	0	109.7	T303 A329 R351 D353	T303-T327 PolarHBondContact OG1-O 3.01Å; T327-A329 VanDerWaalsContact C-N 3.29Å; T327-A329 PolarHBondContact O-N 3.08Å; T327-R351 PolarHBondContact OG1-NH2 2.85Å; T327-D353 WeakPolarHBondContact CB-OD2 3.29Å; T327-D353 WeakPolarHBondContact CG2-OD2 3.43Å; T327-D353 PolarHBondContact OG1-OD2 3.24Å
328	N	94.2	Very high	94.9	Very high	66 Å²	66	53 Å²	53	35%	0.353	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	26.6	-175	-56.7	-44.1	0	0	0	114.8	T303 G304 E326 F330 I331 N357	T303-N328 HydrophobicContact CG2-CB 4.2Å; G304-N328 PolarHBondContact N-O 2.84Å; E326-N328 PolarHBondContact O-N 3.15Å; N328-F330 PolarHBondContact O-N 3.28Å; N328-I331 HydrophobicContact CB-CB 4.21Å; N328-I331 HydrophobicContact CB-CG2 4.43Å; N328-I331 VanDerWaalsContact O-CG2 3.32Å; N328-I331 WeakPolarHBondContact O-CG2 3.16Å; N328-I331 PolarHBondContact O-N 3Å; N328-N357 PolarHBondContact OD1-ND2 2.99Å
329	A	96.8	Very high	94.9	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.008	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-36.3	171.7	0	0	0	0	0	113	L301 K302 G304 V305 I325 E326 T327	L301-A329 HydrophobicContact CB-CB 4.06Å; K302-A329 WeakPolarHBondContact O-CA 3.45Å; G304-A329 PolarHBondContact N-O 2.65Å; V305-A329 PolarHBondContact N-O 2.96Å; I325-A329 HydrophobicContact CG2-CB 3.76Å; E326-A329 VanDerWaalsContact O-CB 3.29Å; E326-A329 WeakPolarHBondContact O-CB 3.45Å; E326-A329 PolarHBondContact O-N 3.31Å; T327-A329 VanDerWaalsContact C-N 3.29Å; T327-A329 PolarHBondContact O-N 3.08Å
330	F	95.8	Very high	95	Very high	7 Å²	7	49 Å²	49	3%	0.031	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	16.3	-177.3	-54.1	-75.7	0	0	0	114.9	L301 F306 I325 N328 G332 L333 L340 L342 F355 L358	L301-F330 HydrophobicContact CD1-CE1 4.1Å; L301-F330 HydrophobicContact CD1-CZ 3.72Å; F306-F330 HydrophobicContact CD2-CD1 4.05Å; F306-F330 HydrophobicContact CD2-CE1 4.34Å; F306-F330 HydrophobicContact CE2-CD1 4.29Å; F306-F330 HydrophobicContact CE2-CE1 4.11Å; I325-F330 HydrophobicContact CG2-CE2 3.88Å; I325-F330 HydrophobicContact CG2-CZ 4.49Å; N328-F330 PolarHBondContact O-N 3.28Å; F330-G332 PolarHBondContact O-N 3.3Å; F330-L333 HydrophobicContact CB-CD1 4.45Å; F330-L333 HydrophobicContact CD1-CD1 4.28Å; F330-L333 WeakPolarHBondContact O-CB 3.43Å; F330-L333 PolarHBondContact O-N 2.8Å; F330-L340 HydrophobicContact CE1-CD1 4.13Å; F330-L340 HydrophobicContact CE1-CD2 3.9Å; F330-L340 HydrophobicContact CE2-CD2 4.4Å; F330-L340 HydrophobicContact CZ-CD2 3.8Å; F330-L342 HydrophobicContact CZ-CD1 4.48Å; F330-F355 HydrophobicContact CD2-CD1 4.32Å; F330-F355 AromaticContact CE2-CD1 3.87Å; F330-F355 HydrophobicContact CE2-CD1 3.87Å; F330-F355 AromaticContact CE2-CE1 3.79Å; F330-F355 HydrophobicContact CE2-CE1 3.79Å; F330-F355 HydrophobicContact CZ-CE1 4.21Å; F330-L358 HydrophobicContact CB-CD1 4.41Å; F330-L358 HydrophobicContact CB-CD2 3.86Å; F330-L358 HydrophobicContact CB-CG 4.33Å; F330-L358 HydrophobicContact CD2-CD1 4.29Å; F330-L358 HydrophobicContact CG-CD1 4.23Å
331	I	94.1	Very high	95.2	Very high	71 Å²	71	50 Å²	50	36%	0.364	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	139.3	176.6	-165.4	172.4	0	0	0	111	R307 N328 E334	R307-I331 WeakPolarHBondContact CA-O 3.47Å; N328-I331 HydrophobicContact CB-CB 4.21Å; N328-I331 HydrophobicContact CB-CG2 4.43Å; N328-I331 VanDerWaalsContact O-CG2 3.32Å; N328-I331 WeakPolarHBondContact O-CG2 3.16Å; N328-I331 PolarHBondContact O-N 3Å; I331-E334 WeakPolarHBondContact CA-OE1 3.48Å; I331-E334 WeakPolarHBondContact CG1-OE1 3.47Å
332	G	91.9	Very high	95.4	Very high	27 Å²	27	47 Å²	47	28%	0.278	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-6.4	-174.3	0	0	0	0	0	114.8	F330 E334	F330-G332 PolarHBondContact O-N 3.3Å; G332-E334 WeakPolarHBondContact CA-OE2 3.06Å; G332-E334 VanDerWaalsContact N-CD 3.26Å; G332-E334 PolarHBondContact N-OE1 3.01Å; G332-E334 PolarHBondContact N-OE2 3.34Å
333	L	94.8	Very high	95.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.241	C	C	.	.			trans	-105.1	7.2	179.8	-60.9	-175.4	0	0	0	114	F306 L309 I315 F330 R335 N336 L337 L358	F306-L333 HydrophobicContact CB-CD1 3.7Å; F306-L333 HydrophobicContact CB-CD2 4.19Å; F306-L333 HydrophobicContact CB-CG 4.09Å; F306-L333 HydrophobicContact CD2-CD1 4.12Å; F306-L333 HydrophobicContact CG-CD1 4.21Å; L309-L333 WeakPolarHBondContact O-CD2 3.37Å; I315-L333 HydrophobicContact CD1-CD1 3.45Å; I315-L333 VanDerWaalsContact CD1-CD1 3.45Å; F330-L333 HydrophobicContact CB-CD1 4.45Å; F330-L333 HydrophobicContact CD1-CD1 4.28Å; F330-L333 WeakPolarHBondContact O-CB 3.43Å; F330-L333 PolarHBondContact O-N 2.8Å; L333-R335 PolarHBondContact O-N 2.86Å; L333-R335 VanDerWaalsContact O-N 3.09Å; L333-N336 PolarHBondContact O-N 3.32Å; L333-L337 HydrophobicContact CB-CB 4.07Å; L333-L337 HydrophobicContact CD1-CD2 4.07Å; L333-L337 PolarHBondContact O-N 2.88Å; L333-L358 HydrophobicContact CB-CD2 4.18Å
334	E	91.4	Very high	95.7	Very high	59 Å²	59	47.5 Å²	47.5	28%	0.276	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29	-163.3	-60.4	86.5	176.6	0	0	114.3	I331 G332 N357 T359	I331-E334 WeakPolarHBondContact CA-OE1 3.48Å; I331-E334 WeakPolarHBondContact CG1-OE1 3.47Å; G332-E334 WeakPolarHBondContact CA-OE2 3.06Å; G332-E334 VanDerWaalsContact N-CD 3.26Å; G332-E334 PolarHBondContact N-OE1 3.01Å; G332-E334 PolarHBondContact N-OE2 3.34Å; E334-N357 VanDerWaalsContact CA-O 3.3Å; E334-N357 WeakPolarHBondContact CA-O 3.25Å; E334-N357 VanDerWaalsContact CB-O 3.28Å; E334-N357 WeakPolarHBondContact CB-O 3.45Å; E334-N357 HydrophobicContact CG-CB 3.8Å; E334-N357 VanDerWaalsContact CG-O 3.29Å; E334-N357 WeakPolarHBondContact CG-O 3.47Å; E334-T359 PolarHBondContact O-OG1 2.75Å
335	R	89.2	Confident	95.9	Very high	210 Å²	210	44.9 Å²	44.9	79%	0.792	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-14.8	-171.3	-64.4	-175.9	178.3	171.9	-0.3	114.7	L333	L333-R335 PolarHBondContact O-N 2.86Å; L333-R335 VanDerWaalsContact O-N 3.09Å
336	N	93.3	Very high	95.9	Very high	67 Å²	67	47.2 Å²	47.2	36%	0.358	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-26.6	-166.7	-73.4	6.7	0	0	0	112.7	K310 V312 G313 L333 L338	K310-N336 WeakPolarHBondContact O-CB 3.47Å; K310-N336 PolarHBondContact O-ND2 3.42Å; V312-N336 CarbonylContact O-C 3.4Å; G313-N336 VanDerWaalsContact CA-O 3.23Å; G313-N336 WeakPolarHBondContact CA-O 3.22Å; L333-N336 PolarHBondContact O-N 3.32Å; N336-L338 WeakPolarHBondContact O-CG 3.17Å; N336-L338 PolarHBondContact O-N 3.29Å
337	L	97.3	Very high	96	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.219	C	C	.	.			trans	-72.7	113.1	-177.6	-169.3	72.1	0	0	0	111.4	V312 I315 L333 Q339 L340 L358 E360 L361	V312-L337 HydrophobicContact CG1-CD1 4.33Å; I315-L337 HydrophobicContact CB-CD1 4.05Å; I315-L337 HydrophobicContact CD1-CD1 3.74Å; I315-L337 HydrophobicContact CG1-CD1 3.63Å; L333-L337 HydrophobicContact CB-CB 4.07Å; L333-L337 HydrophobicContact CD1-CD2 4.07Å; L333-L337 PolarHBondContact O-N 2.88Å; L337-Q339 WeakPolarHBondContact CD1-O 3.16Å; L337-L340 HydrophobicContact CD2-CB 4.29Å; L337-L358 HydrophobicContact CB-CD2 4.39Å; L337-L358 HydrophobicContact CD2-CD1 3.99Å; L337-L358 HydrophobicContact CD2-CD2 3.77Å; L337-L358 HydrophobicContact CD2-CG 4.49Å; L337-E360 CarbonylContact O-C 3.57Å; L337-L361 HydrophobicContact CD2-CD1 4.11Å; L337-L361 HydrophobicContact CG-CD1 4Å; L337-L361 WeakPolarHBondContact O-CA 3.41Å; L337-L361 PolarHBondContact O-N 3.43Å
338	L	98.3	Very high	96	Very high	72 Å²	72	42.6 Å²	42.6	38%	0.377	22%	0.217	S	C	.	.			trans	-101.2	-32.2	-179.8	-56.9	179.6	0	0	0	112.1	G313 N336 E360 L362 I363	G313-L338 PolarHBondContact O-N 2.63Å; N336-L338 WeakPolarHBondContact O-CG 3.17Å; N336-L338 PolarHBondContact O-N 3.29Å; L338-E360 HydrophobicContact CD2-CB 4.3Å; L338-E360 WeakPolarHBondContact CD2-O 3.28Å; L338-L362 HydrophobicContact CB-CD1 4.39Å; L338-L362 HydrophobicContact CB-CG 4.47Å; L338-L362 HydrophobicContact CD2-CD1 4.23Å; L338-L362 HydrophobicContact CD2-CG 4.3Å; L338-L362 PolarHBondContact O-N 3.04Å; L338-I363 PolarHBondContact O-N 3.34Å
339	Q	98.7	Very high	96	Very high	80 Å²	80	44.5 Å²	44.5	37%	0.374	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.9	-175.8	-56.5	-173.1	-4.7	0	0	111.1	G313 N314 I315 L337 I363	G313-Q339 PolarHBondContact O-N 2.8Å; N314-Q339 WeakPolarHBondContact CA-O 3.09Å; N314-Q339 HydrophobicContact CB-CB 4.31Å; I315-Q339 PolarHBondContact N-O 3.36Å; L337-Q339 WeakPolarHBondContact CD1-O 3.16Å; Q339-I363 WeakPolarHBondContact CA-O 3.38Å; Q339-I363 HydrophobicContact CB-CB 4.41Å; Q339-I363 HydrophobicContact CG-CB 4.06Å; Q339-I363 HydrophobicContact CG-CD1 4.14Å; Q339-I363 HydrophobicContact CG-CG1 4.18Å
340	L	98.8	Very high	96	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.9	176.5	179.3	59.4	0	0	0	110	I315 F330 L337 L342 F355 L358 L361 I363 L364 D365	I315-L340 HydrophobicContact CB-CD1 3.99Å; I315-L340 HydrophobicContact CG2-CD1 3.84Å; I315-L340 WeakPolarHBondContact O-CA 3.39Å; F330-L340 HydrophobicContact CE1-CD1 4.13Å; F330-L340 HydrophobicContact CE1-CD2 3.9Å; F330-L340 HydrophobicContact CE2-CD2 4.4Å; F330-L340 HydrophobicContact CZ-CD2 3.8Å; L337-L340 HydrophobicContact CD2-CB 4.29Å; L340-L342 HydrophobicContact CD1-CG 4.25Å; L340-L342 HydrophobicContact CD2-CD1 3.86Å; L340-L342 HydrophobicContact CD2-CG 4.44Å; L340-L342 HydrophobicContact CG-CD1 4.07Å; L340-L342 HydrophobicContact CG-CG 4.12Å; L340-F355 HydrophobicContact CD2-CD1 4.17Å; L340-F355 HydrophobicContact CD2-CE1 3.86Å; L340-L358 HydrophobicContact CD2-CD1 4.06Å; L340-L361 HydrophobicContact CB-CD1 3.9Å; L340-L361 HydrophobicContact CB-CD2 4.48Å; L340-I363 PolarHBondContact N-O 2.89Å; L340-L364 HydrophobicContact CB-CD1 4.16Å; L340-L364 HydrophobicContact CD2-CD1 4.04Å; L340-L364 HydrophobicContact CG-CD1 4.14Å; L340-D365 PolarHBondContact O-N 3.07Å
341	N	98.9	Very high	95.9	Very high	32 Å²	32	48.8 Å²	48.8	17%	0.171	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113	174.9	-175.1	3.8	0	0	0	110.7	I315 D316 I317 S318 S343 D365	I315-N341 PolarHBondContact O-N 3.17Å; D316-N341 HydrophobicContact CB-CB 4.44Å; D316-N341 PolarHBondContact OD2-ND2 3.44Å; I317-N341 CarbonylContact C-O 3.05Å; I317-N341 PolarHBondContact N-O 2.93Å; S318-N341 PolarHBondContact N-O 3.08Å; N341-S343 VanDerWaalsContact OD1-CB 3.31Å; N341-S343 WeakPolarHBondContact OD1-CB 3.4Å; N341-S343 PolarHBondContact OD1-N 2.88Å; N341-S343 PolarHBondContact OD1-OG 2.62Å; N341-D365 HydrophobicContact CB-CB 4.48Å
342	L	98.6	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.			trans	-117.9	16.7	175.9	-75.2	166.5	0	0	0	111.5	L301 I317 I322 I325 F330 L340 N345 L347 F355 D365 L366 N369	L301-L342 HydrophobicContact CD1-CD2 4.2Å; I317-L342 HydrophobicContact CB-CD2 4.4Å; I322-L342 HydrophobicContact CD1-CD2 3.98Å; I325-L342 HydrophobicContact CD1-CD1 4.2Å; F330-L342 HydrophobicContact CZ-CD1 4.48Å; L340-L342 HydrophobicContact CD1-CG 4.25Å; L340-L342 HydrophobicContact CD2-CD1 3.86Å; L340-L342 HydrophobicContact CD2-CG 4.44Å; L340-L342 HydrophobicContact CG-CD1 4.07Å; L340-L342 HydrophobicContact CG-CG 4.12Å; L342-N345 WeakPolarHBondContact O-CB 3.3Å; L342-N345 PolarHBondContact O-ND2 2.93Å; L342-L347 HydrophobicContact CB-CD1 4.47Å; L342-F355 HydrophobicContact CD1-CE1 3.76Å; L342-F355 HydrophobicContact CD1-CZ 3.83Å; L342-D365 CarbonylContact C-O 3.52Å; L342-D365 WeakPolarHBondContact CA-O 3.37Å; L342-D365 WeakPolarHBondContact CB-O 3.39Å; L342-D365 PolarHBondContact N-O 3Å; L342-L366 HydrophobicContact CB-CD2 3.81Å; L342-L366 HydrophobicContact CD1-CD2 3.98Å; L342-N369 PolarHBondContact O-ND2 3.39Å
343	S	98.8	Very high	95.9	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.049	24%	0.237	C	C	.	.			trans	-63.5	158.1	-179.4	62.3	0	0	0	0	113.1	S318 R319 N341 N345 D365 S367	S318-S343 CarbonylContact C-O 3.58Å; S318-S343 WeakPolarHBondContact CA-O 3.21Å; S318-S343 VanDerWaalsContact CB-O 3.28Å; S318-S343 WeakPolarHBondContact CB-O 3.25Å; S318-S343 WeakPolarHBondContact CB-OG 3.39Å; R319-S343 PolarHBondContact N-O 3.38Å; N341-S343 VanDerWaalsContact OD1-CB 3.31Å; N341-S343 WeakPolarHBondContact OD1-CB 3.4Å; N341-S343 PolarHBondContact OD1-N 2.88Å; N341-S343 PolarHBondContact OD1-OG 2.62Å; S343-N345 VanDerWaalsContact C-N 3.33Å; S343-N345 PolarHBondContact O-N 3.22Å; S343-N345 PolarHBondContact O-ND2 2.82Å; S343-D365 PolarHBondContact N-O 2.93Å; S343-S367 CarbonylContact C-O 3.5Å; S343-S367 WeakPolarHBondContact CA-O 3.29Å; S343-S367 WeakPolarHBondContact CB-O 3.47Å
344	F	98.4	Very high	95.9	Very high	83 Å²	83	49.2 Å²	49.2	36%	0.364	24%	0.241	S	C	.	.	S	Bend	trans	54.2	47.6	-179.8	-61.1	-85.1	0	0	0	112.6	R319 N320 S367 D368	R319-F344 CarbonylContact C-O 3.48Å; R319-F344 WeakPolarHBondContact CA-O 3.4Å; R319-F344 HydrophobicContact CB-CB 4.39Å; R319-F344 HydrophobicContact CG-CB 3.83Å; R319-F344 HydrophobicContact CG-CD2 4.39Å; R319-F344 HydrophobicContact CG-CG 4.25Å; R319-F344 PolarHBondContact N-O 3.44Å; N320-F344 PolarHBondContact N-O 2.92Å; F344-S367 PolarHBondContact N-O 3.49Å; F344-D368 WeakPolarHBondContact CA-O 3.34Å; F344-D368 HydrophobicContact CD1-CB 3.54Å; F344-D368 HydrophobicContact CD2-CB 4.28Å; F344-D368 HydrophobicContact CE1-CB 3.54Å; F344-D368 VanDerWaalsContact CE1-CG 3.48Å; F344-D368 HydrophobicContact CE2-CB 4.27Å; F344-D368 HydrophobicContact CG-CB 3.92Å; F344-D368 HydrophobicContact CZ-CB 3.92Å; F344-D368 WeakPolarHBondContact CZ-OD2 3.38Å; F344-D368 PolarHBondContact N-O 2.89Å
345	N	98.1	Very high	96.1	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	-118.7	-166.9	173.4	-85.6	-72.7	0	0	0	109.9	I317 N320 K321 I322 L342 S343 N369	I317-N345 PolarHBondContact O-ND2 3.48Å; N320-N345 VanDerWaalsContact CA-OD1 3.25Å; N320-N345 WeakPolarHBondContact CA-OD1 3.4Å; N320-N345 WeakPolarHBondContact CB-OD1 3.34Å; N320-N345 PolarHBondContact N-OD1 3.13Å; N320-N345 PolarHBondContact O-OD1 2.96Å; K321-N345 PolarHBondContact N-OD1 3.36Å; I322-N345 HydrophobicContact CB-CB 4.23Å; I322-N345 WeakPolarHBondContact CB-OD1 3.44Å; I322-N345 WeakPolarHBondContact CG1-OD1 3.44Å; I322-N345 PolarHBondContact N-OD1 3.28Å; L342-N345 WeakPolarHBondContact O-CB 3.3Å; L342-N345 PolarHBondContact O-ND2 2.93Å; S343-N345 VanDerWaalsContact C-N 3.33Å; S343-N345 PolarHBondContact O-N 3.22Å; S343-N345 PolarHBondContact O-ND2 2.82Å; N345-N369 VanDerWaalsContact CA-OD1 3.3Å; N345-N369 WeakPolarHBondContact CA-OD1 3.03Å; N345-N369 WeakPolarHBondContact CB-OD1 3.3Å; N345-N369 PolarHBondContact O-OD1 3.21Å
346	L	96.9	Very high	96.3	Very high	66 Å²	66	38.2 Å²	38.2	35%	0.346	20%	0.203	S	C	.	.			trans	-118.9	28.3	-175.6	-58.1	174.8	0	0	0	111.6	K321 I322 N323 G348 N369 H370	K321-L346 HydrophobicContact CB-CD1 4.02Å; K321-L346 HydrophobicContact CG-CD1 4.44Å; I322-L346 CarbonylContact O-C 3.28Å; I322-L346 WeakPolarHBondContact O-CA 3.43Å; I322-L346 PolarHBondContact O-N 3.26Å; N323-L346 HydrophobicContact CB-CB 4.32Å; N323-L346 PolarHBondContact ND2-O 3.08Å; L346-G348 PolarHBondContact O-N 3.15Å; L346-N369 PolarHBondContact N-OD1 3.28Å; L346-H370 WeakPolarHBondContact CD2-NE2 3.3Å
347	L	97.1	Very high	96.1	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	20%	0.198	C	C	.	.			trans	-66.8	131.9	-179	-64.4	171.9	0	0	0	110.2	I322 I325 L342 I350 L366 N369 H370 I371	I322-L347 HydrophobicContact CG2-CD2 3.89Å; I322-L347 PolarHBondContact O-N 3.41Å; I325-L347 HydrophobicContact CD1-CD1 4.22Å; I325-L347 HydrophobicContact CD1-CD2 3.9Å; I325-L347 HydrophobicContact CG1-CD2 3.96Å; L342-L347 HydrophobicContact CB-CD1 4.47Å; L347-I350 HydrophobicContact CD1-CD1 4.38Å; L347-L366 HydrophobicContact CD1-CD2 3.76Å; L347-N369 HydrophobicContact CB-CB 4.32Å; L347-N369 WeakPolarHBondContact CB-OD1 3.49Å; L347-N369 WeakPolarHBondContact CG-OD1 3.33Å; L347-N369 PolarHBondContact N-OD1 3.2Å; L347-H370 CarbonylContact O-C 3.41Å; L347-H370 VanDerWaalsContact O-CA 3.26Å; L347-H370 WeakPolarHBondContact O-CA 3.5Å; L347-H370 PolarHBondContact O-N 2.91Å; L347-I371 HydrophobicContact CB-CD1 4.42Å; L347-I371 HydrophobicContact CB-CG1 4.04Å; L347-I371 WeakPolarHBondContact O-CG1 3.49Å; L347-I371 PolarHBondContact O-N 3.3Å
348	G	95.2	Very high	96	Very high	34 Å²	34	37.5 Å²	37.5	35%	0.351	20%	0.198	S	C	.	.			trans	-105.7	-26.1	-179.7	0	0	0	0	0	114.9	L346 I371 G372	L346-G348 PolarHBondContact O-N 3.15Å; G348-I371 WeakPolarHBondContact O-CA 3.43Å; G348-G372 PolarHBondContact O-N 3.37Å
349	E	94.3	Very high	95.8	Very high	107 Å²	107	36.6 Å²	36.6	50%	0.5	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.8	-176.7	-176.4	-174.3	165	0	0	109.9	R351 V373	E349-R351 HydrophobicContact CG-CG 4.44Å; E349-V373 WeakPolarHBondContact CA-O 3.35Å; E349-V373 HydrophobicContact CG-CB 4.48Å
350	I	95.8	Very high	95.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.3	168	-53.7	-60.5	0	0	0	109.3	L347 F355 L366 I371 V373 L374 G375 A378 F379	L347-I350 HydrophobicContact CD1-CD1 4.38Å; I350-F355 HydrophobicContact CD1-CE2 4.18Å; I350-F355 HydrophobicContact CG2-CD2 4.11Å; I350-F355 HydrophobicContact CG2-CE2 3.8Å; I350-L366 HydrophobicContact CD1-CD1 4.3Å; I350-L366 HydrophobicContact CD1-CD2 4.34Å; I350-L366 HydrophobicContact CG1-CD1 4.43Å; I350-I371 HydrophobicContact CD1-CD1 3.96Å; I350-I371 HydrophobicContact CG1-CD1 3.94Å; I350-I371 HydrophobicContact CG1-CG1 4.5Å; I350-I371 HydrophobicContact CG1-CG2 4.23Å; I350-V373 PolarHBondContact N-O 3.31Å; I350-L374 HydrophobicContact CB-CD2 3.96Å; I350-L374 HydrophobicContact CG1-CD2 4Å; I350-G375 PolarHBondContact O-N 3Å; I350-A378 HydrophobicContact CB-CB 4.48Å; I350-A378 HydrophobicContact CG2-CB 4.19Å; I350-F379 HydrophobicContact CG1-CZ 4.49Å; I350-F379 HydrophobicContact CG2-CD1 4.33Å; I350-F379 HydrophobicContact CG2-CE1 3.94Å; I350-F379 HydrophobicContact CG2-CZ 4.27Å
351	R	93.6	Very high	95.7	Very high	98 Å²	98	36.6 Å²	36.6	37%	0.37	20%	0.196	S	C	.	.			trans	-97	166.6	-179.9	-54.3	-177.7	-47.8	-179.3	9.3	110.9	T327 E349 D353 T354	T327-R351 PolarHBondContact OG1-NH2 2.85Å; E349-R351 HydrophobicContact CG-CG 4.44Å; R351-D353 VanDerWaalsContact C-N 3.28Å; R351-D353 WeakPolarHBondContact CB-OD1 3.28Å; R351-D353 IonicContact CZ-OD1 3.51Å; R351-D353 IonicContact CZ-OD2 3.51Å; R351-D353 IonicContact NE-OD1 3.93Å; R351-D353 PolarHBondContact NE-OD1 3.43Å; R351-D353 VanDerWaalsContact NE-OD1 3.16Å; R351-D353 IonicContact NH2-OD1 3.53Å; R351-D353 PolarHBondContact NH2-OD1 3.43Å; R351-D353 VanDerWaalsContact NH2-OD1 3.09Å; R351-D353 IonicContact NH2-OD2 3.58Å; R351-D353 PolarHBondContact NH2-OD2 3.4Å; R351-D353 PolarHBondContact O-N 2.98Å; R351-T354 PolarHBondContact N-OG1 2.96Å; R351-T354 PolarHBondContact O-N 2.88Å; R351-T354 PolarHBondContact O-OG1 2.93Å
352	S	93.3	Very high	95.6	Very high	53 Å²	53	37.7 Å²	37.7	37%	0.371	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28	179.6	48.1	0	0	0	0	114.7	D376 K377	S352-D376 WeakPolarHBondContact CB-O 3.44Å; S352-K377 WeakPolarHBondContact CA-O 3.5Å; S352-K377 WeakPolarHBondContact CB-O 3.05Å
353	D	92.4	Very high	95.6	Very high	41 Å²	41	39.6 Å²	39.6	22%	0.219	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.8	-178.6	73.1	-32	0	0	0	113.7	T327 R351 F355 S356	T327-D353 WeakPolarHBondContact CB-OD2 3.29Å; T327-D353 WeakPolarHBondContact CG2-OD2 3.43Å; T327-D353 PolarHBondContact OG1-OD2 3.24Å; R351-D353 VanDerWaalsContact C-N 3.28Å; R351-D353 WeakPolarHBondContact CB-OD1 3.28Å; R351-D353 IonicContact CZ-OD1 3.51Å; R351-D353 IonicContact CZ-OD2 3.51Å; R351-D353 IonicContact NE-OD1 3.93Å; R351-D353 PolarHBondContact NE-OD1 3.43Å; R351-D353 VanDerWaalsContact NE-OD1 3.16Å; R351-D353 IonicContact NH2-OD1 3.53Å; R351-D353 PolarHBondContact NH2-OD1 3.43Å; R351-D353 VanDerWaalsContact NH2-OD1 3.09Å; R351-D353 IonicContact NH2-OD2 3.58Å; R351-D353 PolarHBondContact NH2-OD2 3.4Å; R351-D353 PolarHBondContact O-N 2.98Å; D353-F355 PolarHBondContact O-N 3.38Å; D353-S356 PolarHBondContact O-OG 3.15Å
354	T	95.2	Very high	95.6	Very high	14 Å²	14	39.2 Å²	39.2	9%	0.086	21%	0.209	C	C	.	.	S	Bend	trans	-65.8	-41	-170.3	-56	0	0	0	0	112.3	I325 R351	I325-T354 HydrophobicContact CB-CG2 4.19Å; I325-T354 HydrophobicContact CD1-CG2 3.89Å; I325-T354 HydrophobicContact CG2-CG2 4.03Å; R351-T354 PolarHBondContact N-OG1 2.96Å; R351-T354 PolarHBondContact O-N 2.88Å; R351-T354 PolarHBondContact O-OG1 2.93Å
355	F	96.1	Very high	95.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.009	20%	0.2	C	C	.	.	S	Bend	trans	-123.8	13.9	-177.7	-53	-63.2	0	0	0	113.2	I325 F330 L340 L342 I350 D353 N357 L358 L364 L366 F379 L382	I325-F355 HydrophobicContact CD1-CZ 4.44Å; F330-F355 HydrophobicContact CD2-CD1 4.32Å; F330-F355 AromaticContact CE2-CD1 3.87Å; F330-F355 HydrophobicContact CE2-CD1 3.87Å; F330-F355 AromaticContact CE2-CE1 3.79Å; F330-F355 HydrophobicContact CE2-CE1 3.79Å; F330-F355 HydrophobicContact CZ-CE1 4.21Å; L340-F355 HydrophobicContact CD2-CD1 4.17Å; L340-F355 HydrophobicContact CD2-CE1 3.86Å; L342-F355 HydrophobicContact CD1-CE1 3.76Å; L342-F355 HydrophobicContact CD1-CZ 3.83Å; I350-F355 HydrophobicContact CD1-CE2 4.18Å; I350-F355 HydrophobicContact CG2-CD2 4.11Å; I350-F355 HydrophobicContact CG2-CE2 3.8Å; D353-F355 PolarHBondContact O-N 3.38Å; F355-N357 PolarHBondContact O-N 2.93Å; F355-L358 HydrophobicContact CB-CD1 4.29Å; F355-L358 HydrophobicContact CD1-CD1 3.99Å; F355-L358 PolarHBondContact O-N 3.41Å; F355-L358 VanDerWaalsContact O-N 3.07Å; F355-L364 HydrophobicContact CD2-CD2 4.07Å; F355-L364 HydrophobicContact CE1-CD1 4.4Å; F355-L364 HydrophobicContact CE2-CD2 3.99Å; F355-L364 HydrophobicContact CZ-CD1 4.31Å; F355-L364 HydrophobicContact CZ-CD2 4.4Å; F355-L366 HydrophobicContact CE2-CD1 4.22Å; F355-L366 HydrophobicContact CZ-CD2 4.2Å; F355-F379 HydrophobicContact CD2-CD1 4.05Å; F355-F379 HydrophobicContact CD2-CE1 4.29Å; F355-F379 HydrophobicContact CE2-CD1 4.41Å; F355-F379 HydrophobicContact CE2-CE1 4.18Å; F355-L382 HydrophobicContact CB-CD1 4.15Å; F355-L382 HydrophobicContact CB-CD2 3.94Å; F355-L382 HydrophobicContact CB-CG 4.24Å
356	S	92.9	Very high	95.7	Very high	36 Å²	36	36.7 Å²	36.7	25%	0.252	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.6	-167.8	60.3	0	0	0	0	115.6	D353 S380	D353-S356 PolarHBondContact O-OG 3.15Å; S356-S380 VanDerWaalsContact CA-O 3.27Å; S356-S380 WeakPolarHBondContact CA-O 3.48Å
357	N	89.8	Confident	95.8	Very high	50 Å²	50	34.1 Å²	34.1	27%	0.267	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.5	-173.7	-56.3	-3.9	0	0	0	112.7	N328 E334 F355 T359	N328-N357 PolarHBondContact OD1-ND2 2.99Å; E334-N357 VanDerWaalsContact CA-O 3.3Å; E334-N357 WeakPolarHBondContact CA-O 3.25Å; E334-N357 VanDerWaalsContact CB-O 3.28Å; E334-N357 WeakPolarHBondContact CB-O 3.45Å; E334-N357 HydrophobicContact CG-CB 3.8Å; E334-N357 VanDerWaalsContact CG-O 3.29Å; E334-N357 WeakPolarHBondContact CG-O 3.47Å; F355-N357 PolarHBondContact O-N 2.93Å; N357-T359 VanDerWaalsContact C-N 3.35Å; N357-T359 PolarHBondContact O-N 3.11Å; N357-T359 VanDerWaalsContact O-N 3.15Å
358	L	95.5	Very high	95.9	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.202	C	C	.	.			trans	-90.1	64.5	-174.9	-60.8	-179.1	0	0	0	111.5	F330 L333 L337 L340 F355 E360 L361 L382	F330-L358 HydrophobicContact CB-CD1 4.41Å; F330-L358 HydrophobicContact CB-CD2 3.86Å; F330-L358 HydrophobicContact CB-CG 4.33Å; F330-L358 HydrophobicContact CD2-CD1 4.29Å; F330-L358 HydrophobicContact CG-CD1 4.23Å; L333-L358 HydrophobicContact CB-CD2 4.18Å; L337-L358 HydrophobicContact CB-CD2 4.39Å; L337-L358 HydrophobicContact CD2-CD1 3.99Å; L337-L358 HydrophobicContact CD2-CD2 3.77Å; L337-L358 HydrophobicContact CD2-CG 4.49Å; L340-L358 HydrophobicContact CD2-CD1 4.06Å; F355-L358 HydrophobicContact CB-CD1 4.29Å; F355-L358 HydrophobicContact CD1-CD1 3.99Å; F355-L358 PolarHBondContact O-N 3.41Å; F355-L358 VanDerWaalsContact O-N 3.07Å; L358-E360 VanDerWaalsContact C-N 3.31Å; L358-E360 PolarHBondContact O-N 3.02Å; L358-L361 HydrophobicContact CB-CB 4.07Å; L358-L361 HydrophobicContact CB-CD2 4.45Å; L358-L361 HydrophobicContact CD1-CD2 4.21Å; L358-L361 WeakPolarHBondContact O-CB 3.25Å; L358-L361 PolarHBondContact O-N 3.43Å; L358-L382 HydrophobicContact CB-CD2 3.86Å; L358-L382 VanDerWaalsContact O-CD2 3.28Å; L358-L382 WeakPolarHBondContact O-CD2 3.33Å
359	T	93.8	Very high	96	Very high	53 Å²	53	35.6 Å²	35.6	33%	0.325	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.3	-169	53.5	0	0	0	0	114.6	E334 N357 G381 Q384	E334-T359 PolarHBondContact O-OG1 2.75Å; N357-T359 VanDerWaalsContact C-N 3.35Å; N357-T359 PolarHBondContact O-N 3.11Å; N357-T359 VanDerWaalsContact O-N 3.15Å; T359-G381 WeakPolarHBondContact CA-O 3.14Å; T359-Q384 VanDerWaalsContact O-CG 3.31Å; T359-Q384 WeakPolarHBondContact O-CG 3.17Å
360	E	96.3	Very high	96.1	Very high	82 Å²	82	36.2 Å²	36.2	38%	0.383	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.1	179.3	-58.6	-59.2	144.4	0	0	113.2	L337 L338 L358 L362	L337-E360 CarbonylContact O-C 3.57Å; L338-E360 HydrophobicContact CD2-CB 4.3Å; L338-E360 WeakPolarHBondContact CD2-O 3.28Å; L358-E360 VanDerWaalsContact C-N 3.31Å; L358-E360 PolarHBondContact O-N 3.02Å; E360-L362 PolarHBondContact O-N 3.49Å
361	L	98.1	Very high	96.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.			trans	-66.3	123.9	-175.8	-165.8	74.4	0	0	0	110.9	L337 L340 L358 L364 L382 Q384 L385	L337-L361 HydrophobicContact CD2-CD1 4.11Å; L337-L361 HydrophobicContact CG-CD1 4Å; L337-L361 WeakPolarHBondContact O-CA 3.41Å; L337-L361 PolarHBondContact O-N 3.43Å; L340-L361 HydrophobicContact CB-CD1 3.9Å; L340-L361 HydrophobicContact CB-CD2 4.48Å; L358-L361 HydrophobicContact CB-CB 4.07Å; L358-L361 HydrophobicContact CB-CD2 4.45Å; L358-L361 HydrophobicContact CD1-CD2 4.21Å; L358-L361 WeakPolarHBondContact O-CB 3.25Å; L358-L361 PolarHBondContact O-N 3.43Å; L361-L364 HydrophobicContact CD2-CB 3.97Å; L361-L364 HydrophobicContact CD2-CD1 4.32Å; L361-L364 HydrophobicContact CD2-CD2 4.47Å; L361-L364 HydrophobicContact CD2-CG 4.49Å; L361-L382 HydrophobicContact CB-CD2 4.13Å; L361-L382 HydrophobicContact CD2-CD1 4.39Å; L361-L382 HydrophobicContact CD2-CD2 3.94Å; L361-Q384 CarbonylContact O-C 3.55Å; L361-Q384 VanDerWaalsContact O-C 3.27Å; L361-L385 HydrophobicContact CB-CD1 4.49Å; L361-L385 HydrophobicContact CD2-CD1 4.1Å; L361-L385 HydrophobicContact CG-CD1 4.14Å; L361-L385 VanDerWaalsContact O-CA 3.3Å; L361-L385 WeakPolarHBondContact O-CA 3.43Å; L361-L385 PolarHBondContact O-N 2.98Å
362	L	98.4	Very high	96.2	Very high	56 Å²	56	32.7 Å²	32.7	29%	0.293	18%	0.183	S	C	.	.			trans	-99.6	-36.8	-179.3	-56.9	-179.8	0	0	0	111.9	L338 E360 Q384 H386 H387	L338-L362 HydrophobicContact CB-CD1 4.39Å; L338-L362 HydrophobicContact CB-CG 4.47Å; L338-L362 HydrophobicContact CD2-CD1 4.23Å; L338-L362 HydrophobicContact CD2-CG 4.3Å; L338-L362 PolarHBondContact O-N 3.04Å; E360-L362 PolarHBondContact O-N 3.49Å; L362-Q384 HydrophobicContact CD2-CB 3.99Å; L362-Q384 WeakPolarHBondContact CD2-O 3.43Å; L362-H386 PolarHBondContact O-N 2.96Å; L362-H387 PolarHBondContact O-N 2.8Å
363	I	98.8	Very high	96.1	Very high	39 Å²	39	34.1 Å²	34.1	20%	0.2	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.4	-175.1	-51.4	-172.3	0	0	0	110.1	L338 Q339 L340 H387 Y389	L338-I363 PolarHBondContact O-N 3.34Å; Q339-I363 WeakPolarHBondContact CA-O 3.38Å; Q339-I363 HydrophobicContact CB-CB 4.41Å; Q339-I363 HydrophobicContact CG-CB 4.06Å; Q339-I363 HydrophobicContact CG-CD1 4.14Å; Q339-I363 HydrophobicContact CG-CG1 4.18Å; L340-I363 PolarHBondContact N-O 2.89Å; I363-H387 HydrophobicContact CB-CB 4.29Å; I363-H387 HydrophobicContact CG1-CB 4.05Å; I363-H387 HydrophobicContact CG2-CB 4.02Å; I363-Y389 HydrophobicContact CG2-CD2 4.49Å; I363-Y389 HydrophobicContact CG2-CE2 3.9Å
364	L	98.8	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.5	173.1	179.3	57.5	0	0	0	109.8	L340 F355 L361 L366 F379 L382 L385 H387 L388 Y389	L340-L364 HydrophobicContact CB-CD1 4.16Å; L340-L364 HydrophobicContact CD2-CD1 4.04Å; L340-L364 HydrophobicContact CG-CD1 4.14Å; F355-L364 HydrophobicContact CD2-CD2 4.07Å; F355-L364 HydrophobicContact CE1-CD1 4.4Å; F355-L364 HydrophobicContact CE2-CD2 3.99Å; F355-L364 HydrophobicContact CZ-CD1 4.31Å; F355-L364 HydrophobicContact CZ-CD2 4.4Å; L361-L364 HydrophobicContact CD2-CB 3.97Å; L361-L364 HydrophobicContact CD2-CD1 4.32Å; L361-L364 HydrophobicContact CD2-CD2 4.47Å; L361-L364 HydrophobicContact CD2-CG 4.49Å; L364-L366 HydrophobicContact CD1-CD1 4.43Å; L364-L366 HydrophobicContact CD1-CG 4.16Å; L364-L366 HydrophobicContact CD2-CD1 3.87Å; L364-L366 HydrophobicContact CD2-CG 4.45Å; L364-L366 HydrophobicContact CG-CD1 4Å; L364-L366 HydrophobicContact CG-CG 4.06Å; L364-F379 HydrophobicContact CD2-CD1 3.98Å; L364-F379 HydrophobicContact CD2-CE1 3.86Å; L364-L382 HydrophobicContact CD2-CD1 3.85Å; L364-L385 HydrophobicContact CB-CD1 3.86Å; L364-L385 HydrophobicContact CB-CD2 4.44Å; L364-H387 PolarHBondContact N-O 3.19Å; L364-L388 HydrophobicContact CB-CD1 4.26Å; L364-L388 HydrophobicContact CD2-CD1 4.12Å; L364-L388 HydrophobicContact CG-CD1 4.23Å; L364-Y389 PolarHBondContact O-N 3.13Å
365	D	98.9	Very high	95.8	Very high	33 Å²	33	32.1 Å²	32.1	18%	0.176	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.2	174.3	-164.4	-13.7	0	0	0	111.2	L340 N341 L342 S343 S367 Y389	L340-D365 PolarHBondContact O-N 3.07Å; N341-D365 HydrophobicContact CB-CB 4.48Å; L342-D365 CarbonylContact C-O 3.52Å; L342-D365 WeakPolarHBondContact CA-O 3.37Å; L342-D365 WeakPolarHBondContact CB-O 3.39Å; L342-D365 PolarHBondContact N-O 3Å; S343-D365 PolarHBondContact N-O 2.93Å; D365-S367 WeakPolarHBondContact OD1-CB 3.32Å; D365-S367 PolarHBondContact OD1-N 3.49Å; D365-S367 PolarHBondContact OD1-OG 3.35Å; D365-Y389 HydrophobicContact CB-CD2 3.87Å; D365-Y389 WeakPolarHBondContact OD1-CB 3.48Å
366	L	98.8	Very high	95.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.			trans	-122.9	18.7	177	-69.9	166.4	0	0	0	111.3	L342 L347 I350 F355 L364 N369 I371 F379 Y389 L390 N393	L342-L366 HydrophobicContact CB-CD2 3.81Å; L342-L366 HydrophobicContact CD1-CD2 3.98Å; L347-L366 HydrophobicContact CD1-CD2 3.76Å; I350-L366 HydrophobicContact CD1-CD1 4.3Å; I350-L366 HydrophobicContact CD1-CD2 4.34Å; I350-L366 HydrophobicContact CG1-CD1 4.43Å; F355-L366 HydrophobicContact CE2-CD1 4.22Å; F355-L366 HydrophobicContact CZ-CD2 4.2Å; L364-L366 HydrophobicContact CD1-CD1 4.43Å; L364-L366 HydrophobicContact CD1-CG 4.16Å; L364-L366 HydrophobicContact CD2-CD1 3.87Å; L364-L366 HydrophobicContact CD2-CG 4.45Å; L364-L366 HydrophobicContact CG-CD1 4Å; L364-L366 HydrophobicContact CG-CG 4.06Å; L366-N369 PolarHBondContact O-ND2 3.45Å; L366-N369 VanDerWaalsContact O-ND2 3.13Å; L366-I371 HydrophobicContact CB-CD1 4.04Å; L366-I371 HydrophobicContact CD1-CD1 4.44Å; L366-I371 HydrophobicContact CD2-CD1 4.42Å; L366-F379 HydrophobicContact CD1-CE1 3.68Å; L366-F379 HydrophobicContact CD1-CZ 4.03Å; L366-Y389 CarbonylContact C-O 3.57Å; L366-Y389 WeakPolarHBondContact CA-O 3.5Å; L366-Y389 WeakPolarHBondContact CB-O 3.46Å; L366-Y389 PolarHBondContact N-O 2.91Å; L366-L390 HydrophobicContact CB-CD2 3.83Å; L366-L390 HydrophobicContact CD1-CD2 4.02Å; L366-N393 PolarHBondContact O-ND2 2.92Å
367	S	98.8	Very high	95.5	Very high	12 Å²	12	42.5 Å²	42.5	8%	0.084	23%	0.227	C	C	.	.			trans	-63.9	154.5	-177.1	-49	0	0	0	0	111.9	S343 F344 D365 N369 Y389 T391	S343-S367 CarbonylContact C-O 3.5Å; S343-S367 WeakPolarHBondContact CA-O 3.29Å; S343-S367 WeakPolarHBondContact CB-O 3.47Å; F344-S367 PolarHBondContact N-O 3.49Å; D365-S367 WeakPolarHBondContact OD1-CB 3.32Å; D365-S367 PolarHBondContact OD1-N 3.49Å; D365-S367 PolarHBondContact OD1-OG 3.35Å; S367-N369 VanDerWaalsContact C-N 3.33Å; S367-N369 PolarHBondContact O-N 3.26Å; S367-N369 PolarHBondContact O-ND2 3.33Å; S367-N369 VanDerWaalsContact O-ND2 3.14Å; S367-Y389 PolarHBondContact N-O 3Å; S367-Y389 WeakPolarHBondContact OG-CB 3.48Å; S367-T391 CarbonylContact C-O 3.58Å; S367-T391 WeakPolarHBondContact CA-O 3.49Å; S367-T391 WeakPolarHBondContact CB-O 3.5Å
368	D	98.6	Very high	95.8	Very high	66 Å²	66	40.1 Å²	40.1	35%	0.353	21%	0.214	S	C	.	.	S	Bend	trans	54.6	47.7	175.3	-59.4	-77.8	0	0	0	112.7	F344 T391 G392	F344-D368 WeakPolarHBondContact CA-O 3.34Å; F344-D368 HydrophobicContact CD1-CB 3.54Å; F344-D368 HydrophobicContact CD2-CB 4.28Å; F344-D368 HydrophobicContact CE1-CB 3.54Å; F344-D368 VanDerWaalsContact CE1-CG 3.48Å; F344-D368 HydrophobicContact CE2-CB 4.27Å; F344-D368 HydrophobicContact CG-CB 3.92Å; F344-D368 HydrophobicContact CZ-CB 3.92Å; F344-D368 WeakPolarHBondContact CZ-OD2 3.38Å; F344-D368 PolarHBondContact N-O 2.89Å; D368-T391 PolarHBondContact N-O 3.26Å; D368-G392 WeakPolarHBondContact CA-O 3.29Å
369	N	98.4	Very high	95.8	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-112.3	-164	171.4	-86.4	-90.8	0	0	0	109.6	L342 N345 L346 L347 L366 S367 I371 N393	L342-N369 PolarHBondContact O-ND2 3.39Å; N345-N369 VanDerWaalsContact CA-OD1 3.3Å; N345-N369 WeakPolarHBondContact CA-OD1 3.03Å; N345-N369 WeakPolarHBondContact CB-OD1 3.3Å; N345-N369 PolarHBondContact O-OD1 3.21Å; L346-N369 PolarHBondContact N-OD1 3.28Å; L347-N369 HydrophobicContact CB-CB 4.32Å; L347-N369 WeakPolarHBondContact CB-OD1 3.49Å; L347-N369 WeakPolarHBondContact CG-OD1 3.33Å; L347-N369 PolarHBondContact N-OD1 3.2Å; L366-N369 PolarHBondContact O-ND2 3.45Å; L366-N369 VanDerWaalsContact O-ND2 3.13Å; S367-N369 VanDerWaalsContact C-N 3.33Å; S367-N369 PolarHBondContact O-N 3.26Å; S367-N369 PolarHBondContact O-ND2 3.33Å; S367-N369 VanDerWaalsContact O-ND2 3.14Å; N369-I371 HydrophobicContact CB-CD1 4.14Å; N369-I371 HydrophobicContact CB-CG1 3.96Å; N369-N393 VanDerWaalsContact C-OD1 3.23Å; N369-N393 WeakPolarHBondContact CA-OD1 3.25Å; N369-N393 WeakPolarHBondContact CB-OD1 3.5Å
370	H	96.7	Very high	95.8	Very high	119 Å²	119	39.7 Å²	39.7	55%	0.551	21%	0.214	S	C	*	.			trans	-116.8	28.3	176.7	-61.7	-37	0	0	0	111.8	L346 L347 G372	L346-H370 WeakPolarHBondContact CD2-NE2 3.3Å; L347-H370 CarbonylContact O-C 3.41Å; L347-H370 VanDerWaalsContact O-CA 3.26Å; L347-H370 WeakPolarHBondContact O-CA 3.5Å; L347-H370 PolarHBondContact O-N 2.91Å; H370-G372 PolarHBondContact O-N 3.05Å
371	I	97.2	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.			trans	-68.9	111	-171.1	-57.1	167.1	0	0	0	108.5	L347 G348 I350 L366 N369 L374 L390 N393 A394 L395	L347-I371 HydrophobicContact CB-CD1 4.42Å; L347-I371 HydrophobicContact CB-CG1 4.04Å; L347-I371 WeakPolarHBondContact O-CG1 3.49Å; L347-I371 PolarHBondContact O-N 3.3Å; G348-I371 WeakPolarHBondContact O-CA 3.43Å; I350-I371 HydrophobicContact CD1-CD1 3.96Å; I350-I371 HydrophobicContact CG1-CD1 3.94Å; I350-I371 HydrophobicContact CG1-CG1 4.5Å; I350-I371 HydrophobicContact CG1-CG2 4.23Å; L366-I371 HydrophobicContact CB-CD1 4.04Å; L366-I371 HydrophobicContact CD1-CD1 4.44Å; L366-I371 HydrophobicContact CD2-CD1 4.42Å; N369-I371 HydrophobicContact CB-CD1 4.14Å; N369-I371 HydrophobicContact CB-CG1 3.96Å; I371-L374 HydrophobicContact CG2-CD2 3.91Å; I371-L390 HydrophobicContact CD1-CD2 4.29Å; I371-N393 HydrophobicContact CB-CB 4.41Å; I371-N393 VanDerWaalsContact CB-OD1 3.29Å; I371-N393 WeakPolarHBondContact CB-OD1 3.4Å; I371-N393 WeakPolarHBondContact CG1-OD1 3.36Å; I371-N393 PolarHBondContact N-OD1 3.07Å; I371-A394 CarbonylContact O-C 3.27Å; I371-A394 VanDerWaalsContact O-C 3.23Å; I371-A394 WeakPolarHBondContact O-CA 3.09Å; I371-A394 PolarHBondContact O-N 3.2Å; I371-L395 HydrophobicContact CG2-CD2 3.84Å; I371-L395 PolarHBondContact O-N 2.96Å
372	G	94.6	Very high	95.5	Very high	24 Å²	24	37.3 Å²	37.3	25%	0.247	21%	0.21	C	C	.	.			trans	-100.1	-25.7	177.6	0	0	0	0	0	113.2	G348 H370	G348-G372 PolarHBondContact O-N 3.37Å; H370-G372 PolarHBondContact O-N 3.05Å
373	V	90.2	Very high	95.2	Very high	83 Å²	83	37.3 Å²	37.3	50%	0.503	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	131.5	-172.6	-177.7	0	0	0	0	110	E349 I350	E349-V373 WeakPolarHBondContact CA-O 3.35Å; E349-V373 HydrophobicContact CG-CB 4.48Å; I350-V373 PolarHBondContact N-O 3.31Å
374	L	93.4	Very high	95	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.1	162.9	-58.2	179.9	0	0	0	107.5	I350 I371 A378 F379 L395 L398 A399 W427	I350-L374 HydrophobicContact CB-CD2 3.96Å; I350-L374 HydrophobicContact CG1-CD2 4Å; I371-L374 HydrophobicContact CG2-CD2 3.91Å; L374-A378 HydrophobicContact CB-CB 4.06Å; L374-F379 HydrophobicContact CD1-CE2 3.88Å; L374-F379 HydrophobicContact CD2-CE2 3.96Å; L374-F379 HydrophobicContact CD2-CZ 4.01Å; L374-L395 HydrophobicContact CD1-CD2 4.39Å; L374-L395 HydrophobicContact CD2-CD2 4.14Å; L374-L395 HydrophobicContact CG-CD2 3.85Å; L374-L398 HydrophobicContact CD1-CD2 3.7Å; L374-A399 WeakPolarHBondContact O-CB 3.04Å; L374-W427 HydrophobicContact CD1-CH2 3.91Å
375	G	88.4	Confident	95	Very high	12 Å²	12	39 Å²	39	12%	0.124	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-65.1	165.5	177.9	0	0	0	0	0	112.6	I350 K377 A378	I350-G375 PolarHBondContact O-N 3Å; G375-K377 PolarHBondContact O-N 2.97Å; G375-A378 WeakPolarHBondContact O-CB 2.97Å; G375-A378 PolarHBondContact O-N 3.5Å
376	D	90.5	Very high	94.9	Very high	114 Å²	114	39.9 Å²	39.9	61%	0.61	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	129.1	176.7	-70.8	-18.3	0	0	0	110.6	S352 A378	S352-D376 WeakPolarHBondContact CB-O 3.44Å; D376-A378 PolarHBondContact O-N 3.41Å
377	K	92	Very high	94.9	Very high	142 Å²	142	41.9 Å²	41.9	62%	0.617	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	26.4	-173.1	-54.1	176.1	180	178	0	114	S352 G375 S380 S400	S352-K377 WeakPolarHBondContact CA-O 3.5Å; S352-K377 WeakPolarHBondContact CB-O 3.05Å; G375-K377 PolarHBondContact O-N 2.97Å; K377-S380 WeakPolarHBondContact O-CB 3.41Å; K377-S380 PolarHBondContact O-N 3.44Å; K377-S380 VanDerWaalsContact O-N 3.09Å; K377-S400 PolarHBondContact N-O 3.3Å
378	A	94.9	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	145.4	164.6	0	0	0	0	0	110.3	I350 L374 G375 D376 S380 P401 A402	I350-A378 HydrophobicContact CB-CB 4.48Å; I350-A378 HydrophobicContact CG2-CB 4.19Å; L374-A378 HydrophobicContact CB-CB 4.06Å; G375-A378 WeakPolarHBondContact O-CB 2.97Å; G375-A378 PolarHBondContact O-N 3.5Å; D376-A378 PolarHBondContact O-N 3.41Å; A378-S380 PolarHBondContact O-N 3.29Å; A378-P401 HydrophobicContact CB-CB 4.49Å; A378-A402 WeakPolarHBondContact O-CB 3.44Å; A378-A402 PolarHBondContact O-N 2.95Å
379	F	96.1	Very high	94.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	19.1	-173.6	-47.5	-62.9	0	0	0	115.1	I350 F355 L364 L366 L374 L382 L388 L390 L404 W427	I350-F379 HydrophobicContact CG1-CZ 4.49Å; I350-F379 HydrophobicContact CG2-CD1 4.33Å; I350-F379 HydrophobicContact CG2-CE1 3.94Å; I350-F379 HydrophobicContact CG2-CZ 4.27Å; F355-F379 HydrophobicContact CD2-CD1 4.05Å; F355-F379 HydrophobicContact CD2-CE1 4.29Å; F355-F379 HydrophobicContact CE2-CD1 4.41Å; F355-F379 HydrophobicContact CE2-CE1 4.18Å; L364-F379 HydrophobicContact CD2-CD1 3.98Å; L364-F379 HydrophobicContact CD2-CE1 3.86Å; L366-F379 HydrophobicContact CD1-CE1 3.68Å; L366-F379 HydrophobicContact CD1-CZ 4.03Å; L374-F379 HydrophobicContact CD1-CE2 3.88Å; L374-F379 HydrophobicContact CD2-CE2 3.96Å; L374-F379 HydrophobicContact CD2-CZ 4.01Å; F379-L382 HydrophobicContact CB-CD1 3.97Å; F379-L382 HydrophobicContact CB-CG 4.47Å; F379-L382 HydrophobicContact CD1-CD1 3.94Å; F379-L382 HydrophobicContact CG-CD1 4.41Å; F379-L382 PolarHBondContact O-N 2.75Å; F379-L388 HydrophobicContact CE1-CD1 4.28Å; F379-L388 HydrophobicContact CE2-CD2 4.3Å; F379-L388 HydrophobicContact CZ-CD1 4.33Å; F379-L388 HydrophobicContact CZ-CD2 4.5Å; F379-L390 HydrophobicContact CZ-CD1 4.43Å; F379-L390 HydrophobicContact CZ-CD2 4.42Å; F379-L404 HydrophobicContact CB-CD2 4.32Å; F379-W427 HydrophobicContact CD2-CZ2 4.06Å; F379-W427 HydrophobicContact CE2-CH2 4.3Å; F379-W427 HydrophobicContact CE2-CZ2 4.2Å
380	S	94.6	Very high	94.9	Very high	45 Å²	45	40.4 Å²	40.4	32%	0.315	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	148	169.1	-161.3	0	0	0	0	110.6	S356 K377 A378 L382	S356-S380 VanDerWaalsContact CA-O 3.27Å; S356-S380 WeakPolarHBondContact CA-O 3.48Å; K377-S380 WeakPolarHBondContact O-CB 3.41Å; K377-S380 PolarHBondContact O-N 3.44Å; K377-S380 VanDerWaalsContact O-N 3.09Å; A378-S380 PolarHBondContact O-N 3.29Å; S380-L382 VanDerWaalsContact C-N 3.26Å; S380-L382 PolarHBondContact O-N 3.24Å
381	G	92.1	Very high	95	Very high	28 Å²	28	36.2 Å²	36.2	29%	0.289	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-18.9	179.7	0	0	0	0	0	115.7	T359 S383	T359-G381 WeakPolarHBondContact CA-O 3.14Å; G381-S383 PolarHBondContact O-N 2.9Å
382	L	96.1	Very high	95	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	21%	0.21	C	C	.	.			trans	-80.3	55.8	-177.3	-56.8	-170.4	0	0	0	113.1	F355 L358 L361 L364 F379 S380 Q384 L385 L404	F355-L382 HydrophobicContact CB-CD1 4.15Å; F355-L382 HydrophobicContact CB-CD2 3.94Å; F355-L382 HydrophobicContact CB-CG 4.24Å; L358-L382 HydrophobicContact CB-CD2 3.86Å; L358-L382 VanDerWaalsContact O-CD2 3.28Å; L358-L382 WeakPolarHBondContact O-CD2 3.33Å; L361-L382 HydrophobicContact CB-CD2 4.13Å; L361-L382 HydrophobicContact CD2-CD1 4.39Å; L361-L382 HydrophobicContact CD2-CD2 3.94Å; L364-L382 HydrophobicContact CD2-CD1 3.85Å; F379-L382 HydrophobicContact CB-CD1 3.97Å; F379-L382 HydrophobicContact CB-CG 4.47Å; F379-L382 HydrophobicContact CD1-CD1 3.94Å; F379-L382 HydrophobicContact CG-CD1 4.41Å; F379-L382 PolarHBondContact O-N 2.75Å; S380-L382 VanDerWaalsContact C-N 3.26Å; S380-L382 PolarHBondContact O-N 3.24Å; L382-Q384 VanDerWaalsContact C-N 3.3Å; L382-Q384 PolarHBondContact O-N 2.75Å; L382-L385 HydrophobicContact CB-CB 4.13Å; L382-L385 HydrophobicContact CD1-CD1 4.48Å; L382-L385 HydrophobicContact CD1-CD2 4.1Å; L382-L385 PolarHBondContact O-N 3.5Å; L382-L404 HydrophobicContact CB-CD2 4.05Å; L382-L404 WeakPolarHBondContact O-CD2 3.41Å
383	S	90.8	Very high	95.2	Very high	57 Å²	57	36.1 Å²	36.1	40%	0.399	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.5	-173.5	56.4	0	0	0	0	114.2	G381 N406	G381-S383 PolarHBondContact O-N 2.9Å; S383-N406 PolarHBondContact O-ND2 2.01Å
384	Q	95.4	Very high	95.6	Very high	72 Å²	72	33.2 Å²	33.2	34%	0.336	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	9.7	178.8	-60.1	-60.7	-23.9	0	0	113.4	T359 L361 L362 L382 H386	T359-Q384 VanDerWaalsContact O-CG 3.31Å; T359-Q384 WeakPolarHBondContact O-CG 3.17Å; L361-Q384 CarbonylContact O-C 3.55Å; L361-Q384 VanDerWaalsContact O-C 3.27Å; L362-Q384 HydrophobicContact CD2-CB 3.99Å; L362-Q384 WeakPolarHBondContact CD2-O 3.43Å; L382-Q384 VanDerWaalsContact C-N 3.3Å; L382-Q384 PolarHBondContact O-N 2.75Å; Q384-H386 PolarHBondContact O-CE1 2.84Å; Q384-H386 VanDerWaalsContact O-CE1 3.31Å; Q384-H386 PolarHBondContact O-N 3.12Å; Q384-H386 PolarHBondContact O-ND1 2.84Å
385	L	97.9	Very high	95.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.186	C	C	.	.			trans	-69.1	123	-175.1	-159.6	73.9	0	0	0	111.4	L361 L364 L382 L388 L404 N406 L407	L361-L385 HydrophobicContact CB-CD1 4.49Å; L361-L385 HydrophobicContact CD2-CD1 4.1Å; L361-L385 HydrophobicContact CG-CD1 4.14Å; L361-L385 VanDerWaalsContact O-CA 3.3Å; L361-L385 WeakPolarHBondContact O-CA 3.43Å; L361-L385 PolarHBondContact O-N 2.98Å; L364-L385 HydrophobicContact CB-CD1 3.86Å; L364-L385 HydrophobicContact CB-CD2 4.44Å; L382-L385 HydrophobicContact CB-CB 4.13Å; L382-L385 HydrophobicContact CD1-CD1 4.48Å; L382-L385 HydrophobicContact CD1-CD2 4.1Å; L382-L385 PolarHBondContact O-N 3.5Å; L385-L388 HydrophobicContact CD2-CB 3.98Å; L385-L388 HydrophobicContact CD2-CD1 4.23Å; L385-L388 HydrophobicContact CD2-CG 4.48Å; L385-L404 HydrophobicContact CB-CD2 4.46Å; L385-L404 HydrophobicContact CD2-CD1 4.03Å; L385-L404 HydrophobicContact CD2-CD2 4.49Å; L385-N406 CarbonylContact O-C 3.48Å; L385-N406 VanDerWaalsContact O-C 3.27Å; L385-L407 HydrophobicContact CD2-CD1 4.33Å; L385-L407 HydrophobicContact CG-CD1 4.44Å; L385-L407 WeakPolarHBondContact O-CA 3.46Å; L385-L407 PolarHBondContact O-N 2.71Å
386	H	98.1	Very high	95.8	Very high	52 Å²	52	40.1 Å²	40.1	24%	0.241	21%	0.208	C	C	.	.			trans	-105.3	-32.4	177.6	-69.6	73	0	0	0	111.8	L362 Q384 E408 F409	L362-H386 PolarHBondContact O-N 2.96Å; Q384-H386 PolarHBondContact O-CE1 2.84Å; Q384-H386 VanDerWaalsContact O-CE1 3.31Å; Q384-H386 PolarHBondContact O-N 3.12Å; Q384-H386 PolarHBondContact O-ND1 2.84Å; H386-E408 PolarHBondContact O-N 3.49Å; H386-F409 PolarHBondContact O-N 2.8Å
387	H	98.7	Very high	95.3	Very high	42 Å²	42	40.5 Å²	40.5	19%	0.194	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.3	-177.2	-57.7	-105	0	0	0	110.7	L362 I363 L364 Y389 F409	L362-H387 PolarHBondContact O-N 2.8Å; I363-H387 HydrophobicContact CB-CB 4.29Å; I363-H387 HydrophobicContact CG1-CB 4.05Å; I363-H387 HydrophobicContact CG2-CB 4.02Å; L364-H387 PolarHBondContact N-O 3.19Å; H387-Y389 HydrophobicContact CB-CE1 4.27Å; H387-Y389 HydrophobicContact CB-CE2 4.3Å; H387-Y389 PolarHBondContact ND1-OH 2.83Å; H387-F409 HydrophobicContact CB-CB 4.37Å; H387-F409 AromaticContact CE1-CD2 3.16Å; H387-F409 WeakPolarHBondContact CE1-CD2 3.48Å; H387-F409 AromaticContact CE1-CE2 3.53Å; H387-F409 AromaticContact CE1-CG 3.78Å; H387-F409 AromaticContact ND1-CD2 3.32Å; H387-F409 VanDerWaalsContact ND1-CD2 3.32Å; H387-F409 WeakPolarHBondContact ND1-CD2 3.48Å; H387-F409 AromaticContact ND1-CG 3.46Å; H387-F409 WeakPolarHBondContact ND1-CG 3.36Å
388	L	98.6	Very high	94.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.5	174	-179.8	58.6	0	0	0	109.7	L364 F379 L385 L390 L404 L407 F409 L410 L411 W427	L364-L388 HydrophobicContact CB-CD1 4.26Å; L364-L388 HydrophobicContact CD2-CD1 4.12Å; L364-L388 HydrophobicContact CG-CD1 4.23Å; F379-L388 HydrophobicContact CE1-CD1 4.28Å; F379-L388 HydrophobicContact CE2-CD2 4.3Å; F379-L388 HydrophobicContact CZ-CD1 4.33Å; F379-L388 HydrophobicContact CZ-CD2 4.5Å; L385-L388 HydrophobicContact CD2-CB 3.98Å; L385-L388 HydrophobicContact CD2-CD1 4.23Å; L385-L388 HydrophobicContact CD2-CG 4.48Å; L388-L390 HydrophobicContact CD1-CD1 4.3Å; L388-L390 HydrophobicContact CD1-CG 4.2Å; L388-L390 HydrophobicContact CD2-CD1 3.85Å; L388-L390 HydrophobicContact CG-CD1 3.94Å; L388-L390 HydrophobicContact CG-CG 4.15Å; L388-L404 HydrophobicContact CD2-CD1 3.91Å; L388-L407 HydrophobicContact CB-CD1 3.68Å; L388-F409 PolarHBondContact N-O 2.89Å; L388-L410 HydrophobicContact CB-CD1 4.43Å; L388-L410 HydrophobicContact CD2-CD1 4.22Å; L388-L410 HydrophobicContact CG-CD1 4.41Å; L388-L411 PolarHBondContact O-N 3.49Å; L388-L411 VanDerWaalsContact O-N 3.08Å; L388-W427 HydrophobicContact CD2-CH2 4.4Å; L388-W427 HydrophobicContact CD2-CZ2 4.46Å
389	Y	98.8	Very high	94.3	Very high	52 Å²	52	36.6 Å²	36.6	20%	0.204	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.6	177.9	-48	-49.6	0	0	0	110.1	I363 L364 D365 L366 S367 H387 F409 L411	I363-Y389 HydrophobicContact CG2-CD2 4.49Å; I363-Y389 HydrophobicContact CG2-CE2 3.9Å; L364-Y389 PolarHBondContact O-N 3.13Å; D365-Y389 HydrophobicContact CB-CD2 3.87Å; D365-Y389 WeakPolarHBondContact OD1-CB 3.48Å; L366-Y389 CarbonylContact C-O 3.57Å; L366-Y389 WeakPolarHBondContact CA-O 3.5Å; L366-Y389 WeakPolarHBondContact CB-O 3.46Å; L366-Y389 PolarHBondContact N-O 2.91Å; S367-Y389 PolarHBondContact N-O 3Å; S367-Y389 WeakPolarHBondContact OG-CB 3.48Å; H387-Y389 HydrophobicContact CB-CE1 4.27Å; H387-Y389 HydrophobicContact CB-CE2 4.3Å; H387-Y389 PolarHBondContact ND1-OH 2.83Å; Y389-F409 HydrophobicContact CE1-CB 4.44Å; Y389-L411 HydrophobicContact CD1-CB 4.03Å; Y389-L411 HydrophobicContact CD1-CD1 3.34Å; Y389-L411 HydrophobicContact CD1-CG 3.55Å; Y389-L411 HydrophobicContact CE1-CD1 3.58Å; Y389-L411 HydrophobicContact CE1-CG 3.92Å; Y389-L411 HydrophobicContact CG-CD1 4.31Å
390	L	98.2	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.			trans	-130.8	22.2	-178.8	-74.8	166.2	0	0	0	111	L366 I371 F379 L388 N393 L395 L411 L412 N415 W427	L366-L390 HydrophobicContact CB-CD2 3.83Å; L366-L390 HydrophobicContact CD1-CD2 4.02Å; I371-L390 HydrophobicContact CD1-CD2 4.29Å; F379-L390 HydrophobicContact CZ-CD1 4.43Å; F379-L390 HydrophobicContact CZ-CD2 4.42Å; L388-L390 HydrophobicContact CD1-CD1 4.3Å; L388-L390 HydrophobicContact CD1-CG 4.2Å; L388-L390 HydrophobicContact CD2-CD1 3.85Å; L388-L390 HydrophobicContact CG-CD1 3.94Å; L388-L390 HydrophobicContact CG-CG 4.15Å; L390-N393 PolarHBondContact O-ND2 3.05Å; L390-N393 VanDerWaalsContact O-ND2 3.11Å; L390-L395 HydrophobicContact CB-CD1 4.23Å; L390-L395 HydrophobicContact CD1-CD1 4.23Å; L390-L411 CarbonylContact C-O 3.36Å; L390-L411 WeakPolarHBondContact CA-O 3.48Å; L390-L411 WeakPolarHBondContact CB-O 3.26Å; L390-L411 PolarHBondContact N-O 3.27Å; L390-L412 HydrophobicContact CB-CD2 3.82Å; L390-L412 HydrophobicContact CD1-CD2 3.84Å; L390-N415 PolarHBondContact O-ND2 2.93Å; L390-W427 HydrophobicContact CD1-CH2 4.48Å
391	T	98.6	Very high	93.7	Very high	30 Å²	30	38.1 Å²	38.1	18%	0.184	21%	0.21	C	C	.	.			trans	-63.9	147	-177.6	-62.7	0	0	0	0	111	S367 D368 N393 L411 K413	S367-T391 CarbonylContact C-O 3.58Å; S367-T391 WeakPolarHBondContact CA-O 3.49Å; S367-T391 WeakPolarHBondContact CB-O 3.5Å; D368-T391 PolarHBondContact N-O 3.26Å; T391-N393 PolarHBondContact O-N 3.01Å; T391-N393 PolarHBondContact O-ND2 3.04Å; T391-L411 PolarHBondContact N-O 3.34Å; T391-L411 WeakPolarHBondContact OG1-CB 3.37Å; T391-K413 CarbonylContact C-O 3.48Å; T391-K413 VanDerWaalsContact CA-O 3.23Å; T391-K413 WeakPolarHBondContact CA-O 3.4Å; T391-K413 HydrophobicContact CG2-CB 3.9Å; T391-K413 HydrophobicContact CG2-CG 4.21Å
392	G	98.3	Very high	93.7	Very high	11 Å²	11	37.3 Å²	37.3	11%	0.113	20%	0.201	C	C	.	.	S	Bend	trans	65.9	42.8	173.5	0	0	0	0	0	113.1	D368 K413 D414	D368-G392 WeakPolarHBondContact CA-O 3.29Å; G392-K413 PolarHBondContact N-O 3.41Å; G392-D414 CarbonylContact C-O 3.48Å; G392-D414 VanDerWaalsContact CA-O 3.22Å; G392-D414 WeakPolarHBondContact CA-O 3.23Å; G392-D414 PolarHBondContact N-O 3.07Å
393	N	98.5	Very high	93.6	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.059	23%	0.227	C	C	.	.			trans	-116.8	-173.5	178.2	-86.2	-77	0	0	0	110.9	L366 N369 I371 L390 T391 L395 D414 N415	L366-N393 PolarHBondContact O-ND2 2.92Å; N369-N393 VanDerWaalsContact C-OD1 3.23Å; N369-N393 WeakPolarHBondContact CA-OD1 3.25Å; N369-N393 WeakPolarHBondContact CB-OD1 3.5Å; I371-N393 HydrophobicContact CB-CB 4.41Å; I371-N393 VanDerWaalsContact CB-OD1 3.29Å; I371-N393 WeakPolarHBondContact CB-OD1 3.4Å; I371-N393 WeakPolarHBondContact CG1-OD1 3.36Å; I371-N393 PolarHBondContact N-OD1 3.07Å; L390-N393 PolarHBondContact O-ND2 3.05Å; L390-N393 VanDerWaalsContact O-ND2 3.11Å; T391-N393 PolarHBondContact O-N 3.01Å; T391-N393 PolarHBondContact O-ND2 3.04Å; N393-L395 HydrophobicContact CB-CG 4.31Å; N393-D414 PolarHBondContact N-O 2.85Å; N393-D414 VanDerWaalsContact N-O 3.15Å; N393-N415 WeakPolarHBondContact CA-OD1 3.5Å; N393-N415 WeakPolarHBondContact CB-OD1 3.5Å; N393-N415 PolarHBondContact O-OD1 2.99Å
394	A	96.9	Very high	93.8	Very high	22 Å²	22	38.8 Å²	38.8	18%	0.182	21%	0.209	C	C	.	.			trans	-110.1	22.1	-178.3	0	0	0	0	0	113	I371 R396 K416	I371-A394 CarbonylContact O-C 3.27Å; I371-A394 VanDerWaalsContact O-C 3.23Å; I371-A394 WeakPolarHBondContact O-CA 3.09Å; I371-A394 PolarHBondContact O-N 3.2Å; A394-R396 PolarHBondContact O-N 3.07Å; A394-K416 HydrophobicContact CB-CD 4.49Å
395	L	95.4	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.			trans	-64.2	120	-172.7	-64.1	171.1	0	0	0	110.7	I371 L374 L390 N393 L398 L412 N415 K416 L417	I371-L395 HydrophobicContact CG2-CD2 3.84Å; I371-L395 PolarHBondContact O-N 2.96Å; L374-L395 HydrophobicContact CD1-CD2 4.39Å; L374-L395 HydrophobicContact CD2-CD2 4.14Å; L374-L395 HydrophobicContact CG-CD2 3.85Å; L390-L395 HydrophobicContact CB-CD1 4.23Å; L390-L395 HydrophobicContact CD1-CD1 4.23Å; N393-L395 HydrophobicContact CB-CG 4.31Å; L395-L398 HydrophobicContact CD1-CD2 4.31Å; L395-L412 HydrophobicContact CD1-CD2 3.79Å; L395-N415 HydrophobicContact CB-CB 4.35Å; L395-N415 VanDerWaalsContact CB-OD1 3.25Å; L395-N415 WeakPolarHBondContact CB-OD1 3.33Å; L395-N415 WeakPolarHBondContact CG-OD1 3.44Å; L395-N415 PolarHBondContact N-OD1 3Å; L395-K416 CarbonylContact O-C 3.53Å; L395-K416 WeakPolarHBondContact O-CA 3.29Å; L395-K416 WeakPolarHBondContact O-CB 3.31Å; L395-K416 PolarHBondContact O-N 2.91Å; L395-L417 HydrophobicContact CB-CD2 4.09Å; L395-L417 PolarHBondContact O-N 3.19Å; L395-L417 VanDerWaalsContact O-N 3.11Å
396	R	91.1	Very high	93.5	Very high	158 Å²	158	42.6 Å²	42.6	60%	0.596	24%	0.236	S	C	*	.			trans	-97.2	-45.4	177	-64.6	-177.8	-175.6	-162.2	1.6	112.7	A394 K416 L417 N418	A394-R396 PolarHBondContact O-N 3.07Å; R396-K416 WeakPolarHBondContact CA-O 3.45Å; R396-K416 HydrophobicContact CG-CB 3.85Å; R396-L417 WeakPolarHBondContact O-CA 3.37Å; R396-N418 PolarHBondContact O-N 3.19Å
397	Q	81.2	Confident	93.4	Very high	123 Å²	123	40.1 Å²	40.1	58%	0.575	23%	0.225	S	C	*	.			trans	-147.4	146.4	178.6	-66.3	-177.2	-1.5	0	0	107.6	N418	Q397-N418 WeakPolarHBondContact CG-OD1 3.38Å; Q397-N418 PolarHBondContact NE2-OD1 2.71Å; Q397-N418 VanDerWaalsContact NE2-OD1 3.07Å
398	L	83.6	Confident	93.3	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	23%	0.228	C	C	.	.			trans	-94.4	123.8	171.7	-37.9	172.9	0	0	0	106.7	L374 L395 P401 L417 S422 I423 W427	L374-L398 HydrophobicContact CD1-CD2 3.7Å; L395-L398 HydrophobicContact CD1-CD2 4.31Å; L398-P401 HydrophobicContact CB-CG 4.22Å; L398-L417 HydrophobicContact CD2-CD2 4.2Å; L398-L417 HydrophobicContact CG-CD2 4.49Å; L398-S422 WeakPolarHBondContact O-CB 3.44Å; L398-S422 PolarHBondContact O-OG 2.67Å; L398-I423 HydrophobicContact CD1-CD1 4.44Å; L398-I423 HydrophobicContact CD1-CG1 3.51Å; L398-W427 HydrophobicContact CD1-CE3 4.03Å; L398-W427 HydrophobicContact CD1-CH2 3.93Å; L398-W427 HydrophobicContact CD1-CZ3 3.46Å; L398-W427 VanDerWaalsContact CD1-CZ3 3.46Å
399	A	81.7	Confident	93.3	Very high	51 Å²	51	43.9 Å²	43.9	42%	0.421	24%	0.241	S	C	.	.			trans	-65.5	-96.1	-178.3	0	0	0	0	0	111.3	L374	L374-A399 WeakPolarHBondContact O-CB 3.04Å
400	S	87.2	Confident	93.3	Very high	75 Å²	75	41.4 Å²	41.4	52%	0.524	23%	0.232	S	C	.	.	S	Bend	trans	-139.1	69.6	169.7	-70.1	0	0	0	0	109.3	K377	K377-S400 PolarHBondContact N-O 3.3Å
401	P	90.3	Very high	93.3	Very high	4 Å²	4	43 Å²	43	3%	0.026	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-61.4	164.2	176.2	25.9	-31.9	0	0	0	111.1	A378 L398 L426 W427	A378-P401 HydrophobicContact CB-CB 4.49Å; L398-P401 HydrophobicContact CB-CG 4.22Å; P401-L426 HydrophobicContact CG-CD1 3.71Å; P401-L426 WeakPolarHBondContact O-CD1 3.11Å; P401-W427 HydrophobicContact CB-CZ2 3.74Å; P401-W427 HydrophobicContact CG-CH2 4.17Å; P401-W427 HydrophobicContact CG-CZ2 3.63Å
402	A	93.2	Very high	93.3	Very high	11 Å²	11	41.6 Å²	41.6	9%	0.091	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-66.4	146.1	176.6	0	0	0	0	0	110.9	A378 W427	A378-A402 WeakPolarHBondContact O-CB 3.44Å; A378-A402 PolarHBondContact O-N 2.95Å; A402-W427 PolarHBondContact O-NE1 3.02Å
403	P	93.6	Very high	93.3	Very high	89 Å²	89	44.7 Å²	44.7	58%	0.578	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-66.3	139.9	172.7	28.1	-33.7	0	0	0	110.4	P405 L426	P403-P405 WeakPolarHBondContact O-CD 3.21Å; P403-L426 HydrophobicContact CB-CD2 4.37Å
404	L	94.6	Very high	93.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.262	C	S	.	.			trans	-120.9	83.2	-179.8	-62.6	174	0	0	0	108.9	F379 L382 L385 L388 N406 L407 L426 W427 S429	F379-L404 HydrophobicContact CB-CD2 4.32Å; L382-L404 HydrophobicContact CB-CD2 4.05Å; L382-L404 WeakPolarHBondContact O-CD2 3.41Å; L385-L404 HydrophobicContact CB-CD2 4.46Å; L385-L404 HydrophobicContact CD2-CD1 4.03Å; L385-L404 HydrophobicContact CD2-CD2 4.49Å; L388-L404 HydrophobicContact CD2-CD1 3.91Å; L404-N406 VanDerWaalsContact C-N 3.28Å; L404-N406 PolarHBondContact O-N 3.33Å; L404-L407 HydrophobicContact CB-CB 4.05Å; L404-L407 HydrophobicContact CD1-CD2 4.34Å; L404-L407 WeakPolarHBondContact O-CB 3.07Å; L404-L407 PolarHBondContact O-N 2.97Å; L404-L426 PolarHBondContact N-O 2.67Å; L404-W427 HydrophobicContact CD1-CZ2 4.48Å; L404-S429 PolarHBondContact O-OG 2.99Å
405	P	91.9	Very high	93.3	Very high	83 Å²	83	47.8 Å²	47.8	54%	0.539	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.4	-166	26.9	-35.4	0	0	0	113.9	P403 S429	P403-P405 WeakPolarHBondContact O-CD 3.21Å; P405-S429 WeakPolarHBondContact O-CB 3.33Å; P405-S429 PolarHBondContact O-OG 3.13Å; P405-S429 VanDerWaalsContact O-OG 3.04Å
406	N	95	Very high	93.3	Very high	69 Å²	69	51.2 Å²	51.2	37%	0.369	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	7	-177.4	-63.5	-43.6	0	0	0	113.5	S383 L385 L404 E408	S383-N406 PolarHBondContact O-ND2 2.01Å; L385-N406 CarbonylContact O-C 3.48Å; L385-N406 VanDerWaalsContact O-C 3.27Å; L404-N406 VanDerWaalsContact C-N 3.28Å; L404-N406 PolarHBondContact O-N 3.33Å; N406-E408 PolarHBondContact O-N 3.03Å
407	L	96.4	Very high	93.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.242	C	C	.	.			trans	-65.6	119.1	-176.2	-167	70.2	0	0	0	111.2	L385 L388 L404 L410 W427 S429 S430	L385-L407 HydrophobicContact CD2-CD1 4.33Å; L385-L407 HydrophobicContact CG-CD1 4.44Å; L385-L407 WeakPolarHBondContact O-CA 3.46Å; L385-L407 PolarHBondContact O-N 2.71Å; L388-L407 HydrophobicContact CB-CD1 3.68Å; L404-L407 HydrophobicContact CB-CB 4.05Å; L404-L407 HydrophobicContact CD1-CD2 4.34Å; L404-L407 WeakPolarHBondContact O-CB 3.07Å; L404-L407 PolarHBondContact O-N 2.97Å; L407-L410 HydrophobicContact CD2-CB 3.92Å; L407-L410 HydrophobicContact CD2-CD1 4.15Å; L407-L410 HydrophobicContact CD2-CD2 4.24Å; L407-L410 HydrophobicContact CD2-CG 4.33Å; L407-W427 HydrophobicContact CD2-CB 4.08Å; L407-W427 HydrophobicContact CD2-CG 4.23Å; L407-S429 PolarHBondContact N-OG 3.44Å; L407-S429 CarbonylContact O-C 3.2Å; L407-S429 PolarHBondContact O-OG 3.43Å; L407-S430 WeakPolarHBondContact O-CA 3.38Å; L407-S430 PolarHBondContact O-N 3.38Å; L407-S430 VanDerWaalsContact O-N 3.15Å; L407-S430 PolarHBondContact O-OG 3.46Å
408	E	97	Very high	94.1	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.262	24%	0.236	S	C	.	.			trans	-101.6	-36.6	178.9	-60.6	-155.7	162	0	0	112.4	H386 N406 K431 Y432	H386-E408 PolarHBondContact O-N 3.49Å; N406-E408 PolarHBondContact O-N 3.03Å; E408-K431 PolarHBondContact O-N 2.97Å; E408-K431 IonicContact OE1-NZ 3.66Å; E408-K431 PolarHBondContact OE1-NZ 3.19Å; E408-K431 IonicContact OE2-NZ 3.06Å; E408-K431 PolarHBondContact OE2-NZ 3.16Å; E408-Y432 PolarHBondContact O-N 3.34Å
409	F	98.3	Very high	94.5	Very high	65 Å²	65	44 Å²	44	29%	0.285	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.3	-179.4	-72.4	-102.6	0	0	0	110.6	H386 H387 L388 Y389 Y432	H386-F409 PolarHBondContact O-N 2.8Å; H387-F409 HydrophobicContact CB-CB 4.37Å; H387-F409 AromaticContact CE1-CD2 3.16Å; H387-F409 WeakPolarHBondContact CE1-CD2 3.48Å; H387-F409 AromaticContact CE1-CE2 3.53Å; H387-F409 AromaticContact CE1-CG 3.78Å; H387-F409 AromaticContact ND1-CD2 3.32Å; H387-F409 VanDerWaalsContact ND1-CD2 3.32Å; H387-F409 WeakPolarHBondContact ND1-CD2 3.48Å; H387-F409 AromaticContact ND1-CG 3.46Å; H387-F409 WeakPolarHBondContact ND1-CG 3.36Å; L388-F409 PolarHBondContact N-O 2.89Å; Y389-F409 HydrophobicContact CE1-CB 4.44Å; F409-Y432 VanDerWaalsContact CD1-CB 3.47Å; F409-Y432 HydrophobicContact CD1-CD1 4.2Å; F409-Y432 HydrophobicContact CD1-CD2 4.16Å; F409-Y432 AromaticContact CD1-CG 3.7Å; F409-Y432 HydrophobicContact CD1-CG 3.7Å; F409-Y432 AromaticContact CE1-CD2 3.85Å; F409-Y432 HydrophobicContact CE1-CD2 3.85Å; F409-Y432 AromaticContact CE1-CG 3.85Å; F409-Y432 HydrophobicContact CE1-CG 3.85Å
410	L	98.1	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.3	176.2	177	56.7	0	0	0	109.7	L388 L407 L412 I423 W427 Y432 L433 D434	L388-L410 HydrophobicContact CB-CD1 4.43Å; L388-L410 HydrophobicContact CD2-CD1 4.22Å; L388-L410 HydrophobicContact CG-CD1 4.41Å; L407-L410 HydrophobicContact CD2-CB 3.92Å; L407-L410 HydrophobicContact CD2-CD1 4.15Å; L407-L410 HydrophobicContact CD2-CD2 4.24Å; L407-L410 HydrophobicContact CD2-CG 4.33Å; L410-L412 HydrophobicContact CD1-CD1 3.89Å; L410-L412 HydrophobicContact CD1-CG 3.89Å; L410-L412 HydrophobicContact CD2-CD1 3.86Å; L410-L412 HydrophobicContact CG-CD1 3.82Å; L410-L412 HydrophobicContact CG-CG 4.14Å; L410-I423 HydrophobicContact CD2-CG2 3.88Å; L410-W427 HydrophobicContact CD1-CE3 4.06Å; L410-W427 HydrophobicContact CD1-CZ3 4.21Å; L410-W427 HydrophobicContact CD2-CB 4.02Å; L410-W427 HydrophobicContact CD2-CD2 4.39Å; L410-W427 HydrophobicContact CD2-CE3 3.67Å; L410-W427 HydrophobicContact CD2-CZ3 4.47Å; L410-Y432 PolarHBondContact N-O 3.17Å; L410-L433 HydrophobicContact CB-CD1 4.18Å; L410-L433 HydrophobicContact CD2-CD1 3.78Å; L410-L433 HydrophobicContact CG-CD1 3.97Å; L410-D434 PolarHBondContact O-N 2.92Å
411	L	98.4	Very high	95.1	Very high	33 Å²	33	47.5 Å²	47.5	17%	0.173	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.4	178.1	-52.3	-173.8	0	0	0	110.3	L388 Y389 L390 T391 Y432 D434	L388-L411 PolarHBondContact O-N 3.49Å; L388-L411 VanDerWaalsContact O-N 3.08Å; Y389-L411 HydrophobicContact CD1-CB 4.03Å; Y389-L411 HydrophobicContact CD1-CD1 3.34Å; Y389-L411 HydrophobicContact CD1-CG 3.55Å; Y389-L411 HydrophobicContact CE1-CD1 3.58Å; Y389-L411 HydrophobicContact CE1-CG 3.92Å; Y389-L411 HydrophobicContact CG-CD1 4.31Å; L390-L411 CarbonylContact C-O 3.36Å; L390-L411 WeakPolarHBondContact CA-O 3.48Å; L390-L411 WeakPolarHBondContact CB-O 3.26Å; L390-L411 PolarHBondContact N-O 3.27Å; T391-L411 PolarHBondContact N-O 3.34Å; T391-L411 WeakPolarHBondContact OG1-CB 3.37Å; L411-Y432 HydrophobicContact CD2-CD1 3.47Å; L411-Y432 VanDerWaalsContact CD2-CD1 3.47Å; L411-Y432 HydrophobicContact CD2-CE1 3.29Å; L411-D434 HydrophobicContact CD2-CB 3.73Å
412	L	97.7	Very high	94.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.			trans	-123.7	17.3	-179.4	-73	163.5	0	0	0	111.4	L390 L395 L410 N415 L417 I423 W427 D434 I435 N438	L390-L412 HydrophobicContact CB-CD2 3.82Å; L390-L412 HydrophobicContact CD1-CD2 3.84Å; L395-L412 HydrophobicContact CD1-CD2 3.79Å; L410-L412 HydrophobicContact CD1-CD1 3.89Å; L410-L412 HydrophobicContact CD1-CG 3.89Å; L410-L412 HydrophobicContact CD2-CD1 3.86Å; L410-L412 HydrophobicContact CG-CD1 3.82Å; L410-L412 HydrophobicContact CG-CG 4.14Å; L412-N415 PolarHBondContact O-ND2 3.28Å; L412-L417 HydrophobicContact CB-CD1 4.14Å; L412-L417 HydrophobicContact CD1-CD1 4.25Å; L412-L417 HydrophobicContact CD2-CD1 4.49Å; L412-I423 HydrophobicContact CD1-CD1 3.71Å; L412-I423 HydrophobicContact CD1-CG1 4.24Å; L412-W427 HydrophobicContact CD1-CZ3 4.46Å; L412-D434 CarbonylContact C-O 3.58Å; L412-D434 WeakPolarHBondContact CA-O 3.38Å; L412-D434 WeakPolarHBondContact CB-O 3.47Å; L412-D434 PolarHBondContact N-O 3.2Å; L412-I435 HydrophobicContact CB-CG2 4Å; L412-I435 HydrophobicContact CD1-CG2 4.09Å; L412-N438 PolarHBondContact O-ND2 2.8Å
413	K	98.3	Very high	94.6	Very high	77 Å²	77	48.3 Å²	48.3	34%	0.335	25%	0.248	S	C	.	.			trans	-53.5	148.5	175.9	174.9	171.3	-174.7	172.3	0	111.7	T391 G392 N415 D434 S436 E437	T391-K413 CarbonylContact C-O 3.48Å; T391-K413 VanDerWaalsContact CA-O 3.23Å; T391-K413 WeakPolarHBondContact CA-O 3.4Å; T391-K413 HydrophobicContact CG2-CB 3.9Å; T391-K413 HydrophobicContact CG2-CG 4.21Å; G392-K413 PolarHBondContact N-O 3.41Å; K413-N415 PolarHBondContact O-ND2 2.76Å; K413-D434 PolarHBondContact N-O 3.47Å; K413-S436 VanDerWaalsContact CA-O 3.26Å; K413-S436 WeakPolarHBondContact CA-O 3.33Å; K413-S436 WeakPolarHBondContact CD-OG 3.44Å; K413-S436 VanDerWaalsContact CG-OG 3.28Å; K413-S436 WeakPolarHBondContact CG-OG 3.37Å; K413-E437 HydrophobicContact CG-CB 4.38Å; K413-E437 HydrophobicContact CG-CG 4.35Å
414	D	98.1	Very high	94.4	Very high	91 Å²	91	45 Å²	45	49%	0.487	23%	0.225	S	C	.	.	S	Bend	trans	55.1	63.8	173.6	-172.2	25.7	0	0	0	111.4	G392 N393 S436 E437	G392-D414 CarbonylContact C-O 3.48Å; G392-D414 VanDerWaalsContact CA-O 3.22Å; G392-D414 WeakPolarHBondContact CA-O 3.23Å; G392-D414 PolarHBondContact N-O 3.07Å; N393-D414 PolarHBondContact N-O 2.85Å; N393-D414 VanDerWaalsContact N-O 3.15Å; D414-S436 PolarHBondContact N-O 3.48Å; D414-S436 VanDerWaalsContact N-O 3.07Å; D414-E437 VanDerWaalsContact CA-O 3.23Å; D414-E437 WeakPolarHBondContact CA-O 3.35Å; D414-E437 HydrophobicContact CB-CB 4.24Å; D414-E437 PolarHBondContact N-O 3.16Å
415	N	97.9	Very high	94	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	25%	0.25	C	S	.	.	S	Bend	trans	-132.7	-164	177.3	-89.6	-80.2	0	0	0	109.3	L390 N393 L395 L412 K413 L417 E437 N438	L390-N415 PolarHBondContact O-ND2 2.93Å; N393-N415 WeakPolarHBondContact CA-OD1 3.5Å; N393-N415 WeakPolarHBondContact CB-OD1 3.5Å; N393-N415 PolarHBondContact O-OD1 2.99Å; L395-N415 HydrophobicContact CB-CB 4.35Å; L395-N415 VanDerWaalsContact CB-OD1 3.25Å; L395-N415 WeakPolarHBondContact CB-OD1 3.33Å; L395-N415 WeakPolarHBondContact CG-OD1 3.44Å; L395-N415 PolarHBondContact N-OD1 3Å; L412-N415 PolarHBondContact O-ND2 3.28Å; K413-N415 PolarHBondContact O-ND2 2.76Å; N415-L417 HydrophobicContact CB-CG 4.29Å; N415-E437 PolarHBondContact N-O 2.93Å; N415-N438 WeakPolarHBondContact CA-OD1 3.48Å; N415-N438 WeakPolarHBondContact CB-OD1 3.43Å
416	K	96.6	Very high	93.7	Very high	71 Å²	71	46.5 Å²	46.5	31%	0.309	23%	0.234	S	C	.	.			trans	-123	25.2	-177	-59.2	177.8	-175.1	170.1	0	111.3	A394 L395 R396 N418 N438	A394-K416 HydrophobicContact CB-CD 4.49Å; L395-K416 CarbonylContact O-C 3.53Å; L395-K416 WeakPolarHBondContact O-CA 3.29Å; L395-K416 WeakPolarHBondContact O-CB 3.31Å; L395-K416 PolarHBondContact O-N 2.91Å; R396-K416 WeakPolarHBondContact CA-O 3.45Å; R396-K416 HydrophobicContact CG-CB 3.85Å; K416-N418 PolarHBondContact O-N 3.21Å; K416-N438 PolarHBondContact N-OD1 3.26Å
417	L	95.1	Very high	93.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	22%	0.217	C	C	.	.			trans	-65	129.7	-173.7	-62.7	172	0	0	0	110.2	L395 R396 L398 L412 N415 I423 N438 R439 L440	L395-L417 HydrophobicContact CB-CD2 4.09Å; L395-L417 PolarHBondContact O-N 3.19Å; L395-L417 VanDerWaalsContact O-N 3.11Å; R396-L417 WeakPolarHBondContact O-CA 3.37Å; L398-L417 HydrophobicContact CD2-CD2 4.2Å; L398-L417 HydrophobicContact CG-CD2 4.49Å; L412-L417 HydrophobicContact CB-CD1 4.14Å; L412-L417 HydrophobicContact CD1-CD1 4.25Å; L412-L417 HydrophobicContact CD2-CD1 4.49Å; N415-L417 HydrophobicContact CB-CG 4.29Å; L417-I423 HydrophobicContact CD1-CD1 4.15Å; L417-N438 HydrophobicContact CB-CB 4.24Å; L417-N438 WeakPolarHBondContact CB-OD1 3.47Å; L417-N438 VanDerWaalsContact CG-OD1 3.27Å; L417-N438 WeakPolarHBondContact CG-OD1 3.26Å; L417-N438 PolarHBondContact N-OD1 2.77Å; L417-R439 CarbonylContact O-C 3.12Å; L417-R439 VanDerWaalsContact O-CA 3.24Å; L417-R439 WeakPolarHBondContact O-CA 3.42Å; L417-R439 WeakPolarHBondContact O-CB 3.38Å; L417-R439 PolarHBondContact O-N 3.16Å; L417-L440 PolarHBondContact O-N 3.46Å
418	N	94	Very high	93.1	Very high	83 Å²	83	46.4 Å²	46.4	44%	0.444	23%	0.234	S	C	.	.			trans	-114	2.3	175.8	63.6	15.2	0	0	0	113.3	R396 Q397 K416	R396-N418 PolarHBondContact O-N 3.19Å; Q397-N418 WeakPolarHBondContact CG-OD1 3.38Å; Q397-N418 PolarHBondContact NE2-OD1 2.71Å; Q397-N418 VanDerWaalsContact NE2-OD1 3.07Å; K416-N418 PolarHBondContact O-N 3.21Å
419	S	92.1	Very high	93	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	23%	0.231	S	C	.	.			trans	-157.9	144.1	177	-176.9	0	0	0	0	111	R421	S419-R421 PolarHBondContact OG-N 2.95Å
420	I	92.6	Very high	92.8	Very high	7 Å²	7	42 Å²	42	4%	0.036	22%	0.218	C	C	.	.			trans	-93.9	-1.9	176.7	61.6	165.8	0	0	0	114	S422 I423 I424 I435 L440 D445 V448 V449	I420-S422 VanDerWaalsContact C-N 3.3Å; I420-S422 PolarHBondContact O-N 2.8Å; I420-S422 VanDerWaalsContact O-N 3.16Å; I420-I423 WeakPolarHBondContact O-CB 3.22Å; I420-I423 PolarHBondContact O-N 3.31Å; I420-I424 HydrophobicContact CD1-CG2 4.02Å; I420-I424 HydrophobicContact CG1-CG2 4.37Å; I420-I424 PolarHBondContact O-N 3.14Å; I420-I424 VanDerWaalsContact O-N 3.13Å; I420-I435 HydrophobicContact CG2-CD1 4.06Å; I420-L440 HydrophobicContact CG2-CD1 3.9Å; I420-L440 HydrophobicContact CG2-CD2 4.08Å; I420-D445 HydrophobicContact CD1-CB 3.8Å; I420-D445 WeakPolarHBondContact CD1-O 3.42Å; I420-D445 HydrophobicContact CG1-CB 4.43Å; I420-D445 WeakPolarHBondContact CG1-OD1 3.31Å; I420-D445 HydrophobicContact CG2-CB 4.47Å; I420-V448 HydrophobicContact CD1-CB 4.04Å; I420-V448 HydrophobicContact CD1-CG1 4Å; I420-V449 HydrophobicContact CD1-CG2 3.64Å
421	R	88.4	Confident	92.8	Very high	192 Å²	192	45 Å²	45	73%	0.725	23%	0.231	S	C	*	.	H	α-helix	trans	-55.5	-39.6	-167.3	-174.8	177.8	-178.9	177.4	1.5	114.2	S419 I424 S425	S419-R421 PolarHBondContact OG-N 2.95Å; R421-I424 WeakPolarHBondContact O-CG1 3.4Å; R421-S425 PolarHBondContact O-OG 2.93Å
422	S	82.5	Confident	92.8	Very high	29 Å²	29	46.1 Å²	46.1	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-76.8	-27.9	179.8	-55.4	0	0	0	0	112.2	L398 I420 S425 L426	L398-S422 WeakPolarHBondContact O-CB 3.44Å; L398-S422 PolarHBondContact O-OG 2.67Å; I420-S422 VanDerWaalsContact C-N 3.3Å; I420-S422 PolarHBondContact O-N 2.8Å; I420-S422 VanDerWaalsContact O-N 3.16Å; S422-S425 PolarHBondContact O-OG 3.37Å; S422-L426 WeakPolarHBondContact O-CB 3.4Å; S422-L426 PolarHBondContact O-N 2.95Å
423	I	89.1	Confident	92.8	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-69.7	-50.4	178.5	-55.6	171.9	0	0	0	109.4	L398 L410 L412 L417 I420 S425 L426 W427 L433 I435 F453	L398-I423 HydrophobicContact CD1-CD1 4.44Å; L398-I423 HydrophobicContact CD1-CG1 3.51Å; L410-I423 HydrophobicContact CD2-CG2 3.88Å; L412-I423 HydrophobicContact CD1-CD1 3.71Å; L412-I423 HydrophobicContact CD1-CG1 4.24Å; L417-I423 HydrophobicContact CD1-CD1 4.15Å; I420-I423 WeakPolarHBondContact O-CB 3.22Å; I420-I423 PolarHBondContact O-N 3.31Å; I423-S425 PolarHBondContact O-N 2.99Å; I423-L426 PolarHBondContact O-N 3.38Å; I423-W427 CarbonylContact O-C 3.53Å; I423-W427 PolarHBondContact O-N 2.81Å; I423-L433 HydrophobicContact CG2-CD1 4.45Å; I423-I435 HydrophobicContact CD1-CG2 4.19Å; I423-F453 HydrophobicContact CG2-CE2 4.48Å; I423-F453 HydrophobicContact CG2-CZ 3.85Å
424	I	90.2	Very high	92.8	Very high	20 Å²	20	43.2 Å²	43.2	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-23.9	-177.7	62.6	171.9	0	0	0	113.4	I420 R421 N428 V448 V449 H452 F453	I420-I424 HydrophobicContact CD1-CG2 4.02Å; I420-I424 HydrophobicContact CG1-CG2 4.37Å; I420-I424 PolarHBondContact O-N 3.14Å; I420-I424 VanDerWaalsContact O-N 3.13Å; R421-I424 WeakPolarHBondContact O-CG1 3.4Å; I424-N428 WeakPolarHBondContact O-CB 3.39Å; I424-N428 PolarHBondContact O-ND2 3.34Å; I424-V448 HydrophobicContact CD1-CG1 3.54Å; I424-V448 HydrophobicContact CG2-CG1 4.28Å; I424-V449 HydrophobicContact CG2-CG2 4.35Å; I424-H452 HydrophobicContact CB-CB 4.22Å; I424-F453 HydrophobicContact CB-CE2 4.49Å; I424-F453 HydrophobicContact CG2-CE2 3.97Å
425	S	85.8	Confident	92.8	Very high	77 Å²	77	38.9 Å²	38.9	54%	0.538	20%	0.198	S	C	.	.	H	α-helix	trans	-91.3	-26.9	-177.5	56.4	0	0	0	0	113.4	R421 S422 I423	R421-S425 PolarHBondContact O-OG 2.93Å; S422-S425 PolarHBondContact O-OG 3.37Å; I423-S425 PolarHBondContact O-N 2.99Å
426	L	85.8	Confident	92.8	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.199	20%	0.197	C	C	.	.	H	α-helix	trans	-117	-28.2	-171.2	-62.5	166	0	0	0	113.9	P401 P403 L404 S422 I423	P401-L426 HydrophobicContact CG-CD1 3.71Å; P401-L426 WeakPolarHBondContact O-CD1 3.11Å; P403-L426 HydrophobicContact CB-CD2 4.37Å; L404-L426 PolarHBondContact N-O 2.67Å; S422-L426 WeakPolarHBondContact O-CB 3.4Å; S422-L426 PolarHBondContact O-N 2.95Å; I423-L426 PolarHBondContact O-N 3.38Å
427	W	90.2	Very high	92.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.			trans	-130.5	39	-169.7	-56.3	-27.4	0	0	0	112.6	L374 F379 L388 L390 L398 P401 A402 L404 L407 L410 L412 I423 S429 F453	L374-W427 HydrophobicContact CD1-CH2 3.91Å; F379-W427 HydrophobicContact CD2-CZ2 4.06Å; F379-W427 HydrophobicContact CE2-CH2 4.3Å; F379-W427 HydrophobicContact CE2-CZ2 4.2Å; L388-W427 HydrophobicContact CD2-CH2 4.4Å; L388-W427 HydrophobicContact CD2-CZ2 4.46Å; L390-W427 HydrophobicContact CD1-CH2 4.48Å; L398-W427 HydrophobicContact CD1-CE3 4.03Å; L398-W427 HydrophobicContact CD1-CH2 3.93Å; L398-W427 HydrophobicContact CD1-CZ3 3.46Å; L398-W427 VanDerWaalsContact CD1-CZ3 3.46Å; P401-W427 HydrophobicContact CB-CZ2 3.74Å; P401-W427 HydrophobicContact CG-CH2 4.17Å; P401-W427 HydrophobicContact CG-CZ2 3.63Å; A402-W427 PolarHBondContact O-NE1 3.02Å; L404-W427 HydrophobicContact CD1-CZ2 4.48Å; L407-W427 HydrophobicContact CD2-CB 4.08Å; L407-W427 HydrophobicContact CD2-CG 4.23Å; L410-W427 HydrophobicContact CD1-CE3 4.06Å; L410-W427 HydrophobicContact CD1-CZ3 4.21Å; L410-W427 HydrophobicContact CD2-CB 4.02Å; L410-W427 HydrophobicContact CD2-CD2 4.39Å; L410-W427 HydrophobicContact CD2-CE3 3.67Å; L410-W427 HydrophobicContact CD2-CZ3 4.47Å; L412-W427 HydrophobicContact CD1-CZ3 4.46Å; I423-W427 CarbonylContact O-C 3.53Å; I423-W427 PolarHBondContact O-N 2.81Å; W427-S429 VanDerWaalsContact C-N 3.33Å; W427-S429 PolarHBondContact O-N 3.29Å; W427-F453 WeakPolarHBondContact O-CE1 3.36Å; W427-F453 VanDerWaalsContact O-CZ 3.32Å; W427-F453 WeakPolarHBondContact O-CZ 3.32Å
428	N	90.1	Very high	93	Very high	69 Å²	69	39.3 Å²	39.3	37%	0.369	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.1	-174.3	62.2	15.7	0	0	0	115.7	I424 F453	I424-N428 WeakPolarHBondContact O-CB 3.39Å; I424-N428 PolarHBondContact O-ND2 3.34Å; N428-F453 HydrophobicContact CB-CD2 4.31Å; N428-F453 HydrophobicContact CB-CE2 4.27Å; N428-F453 HydrophobicContact CB-CZ 4.43Å
429	S	93	Very high	93.1	Very high	29 Å²	29	42.4 Å²	42.4	20%	0.203	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.7	179.1	48.3	0	0	0	0	114	L404 P405 L407 W427	L404-S429 PolarHBondContact O-OG 2.99Å; P405-S429 WeakPolarHBondContact O-CB 3.33Å; P405-S429 PolarHBondContact O-OG 3.13Å; P405-S429 VanDerWaalsContact O-OG 3.04Å; L407-S429 PolarHBondContact N-OG 3.44Å; L407-S429 CarbonylContact O-C 3.2Å; L407-S429 PolarHBondContact O-OG 3.43Å; W427-S429 VanDerWaalsContact C-N 3.33Å; W427-S429 PolarHBondContact O-N 3.29Å
430	S	95.8	Very high	93.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.			trans	-68.1	141.9	-171.5	-52.5	0	0	0	0	114.1	L407	L407-S430 WeakPolarHBondContact O-CA 3.38Å; L407-S430 PolarHBondContact O-N 3.38Å; L407-S430 VanDerWaalsContact O-N 3.15Å; L407-S430 PolarHBondContact O-OG 3.46Å
431	K	97.1	Very high	93.4	Very high	63 Å²	63	42 Å²	42	27%	0.274	20%	0.202	S	C	.	.	S	Bend	trans	-92.1	-28.5	173	-62.7	173.6	-171.1	158.9	0	111.5	E408 R455 L457 F458	E408-K431 PolarHBondContact O-N 2.97Å; E408-K431 IonicContact OE1-NZ 3.66Å; E408-K431 PolarHBondContact OE1-NZ 3.19Å; E408-K431 IonicContact OE2-NZ 3.06Å; E408-K431 PolarHBondContact OE2-NZ 3.16Å; K431-R455 WeakPolarHBondContact CA-O 3.22Å; K431-R455 HydrophobicContact CG-CB 4.46Å; K431-L457 HydrophobicContact CB-CD1 4.49Å; K431-L457 HydrophobicContact CB-CG 4.44Å; K431-L457 PolarHBondContact O-N 3.48Å; K431-F458 PolarHBondContact O-N 3.2Å
432	Y	98.5	Very high	93.7	Very high	55 Å²	55	33.6 Å²	33.6	22%	0.216	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115	178.2	-166.5	-70.4	0	0	0	108.6	E408 F409 L410 L411 D434 F458 F460	E408-Y432 PolarHBondContact O-N 3.34Å; F409-Y432 VanDerWaalsContact CD1-CB 3.47Å; F409-Y432 HydrophobicContact CD1-CD1 4.2Å; F409-Y432 HydrophobicContact CD1-CD2 4.16Å; F409-Y432 AromaticContact CD1-CG 3.7Å; F409-Y432 HydrophobicContact CD1-CG 3.7Å; F409-Y432 AromaticContact CE1-CD2 3.85Å; F409-Y432 HydrophobicContact CE1-CD2 3.85Å; F409-Y432 AromaticContact CE1-CG 3.85Å; F409-Y432 HydrophobicContact CE1-CG 3.85Å; L410-Y432 PolarHBondContact N-O 3.17Å; L411-Y432 HydrophobicContact CD2-CD1 3.47Å; L411-Y432 VanDerWaalsContact CD2-CD1 3.47Å; L411-Y432 HydrophobicContact CD2-CE1 3.29Å; Y432-D434 HydrophobicContact CE1-CB 4.05Å; Y432-F458 HydrophobicContact CD2-CB 3.53Å; Y432-F458 AromaticContact CD2-CD2 3.88Å; Y432-F458 HydrophobicContact CD2-CD2 3.88Å; Y432-F458 AromaticContact CD2-CG 3.78Å; Y432-F458 HydrophobicContact CD2-CG 3.78Å; Y432-F458 HydrophobicContact CE2-CB 3.89Å; Y432-F458 HydrophobicContact CE2-CG 4.12Å; Y432-F458 HydrophobicContact CG-CB 4.09Å; Y432-F460 HydrophobicContact CD2-CE2 4.44Å; Y432-F460 AromaticContact CE1-CD2 3.87Å; Y432-F460 HydrophobicContact CE1-CD2 3.87Å; Y432-F460 AromaticContact CE1-CE2 3.81Å; Y432-F460 HydrophobicContact CE1-CE2 3.81Å; Y432-F460 HydrophobicContact CE2-CD2 4.44Å; Y432-F460 AromaticContact CE2-CE2 3.59Å; Y432-F460 HydrophobicContact CE2-CE2 3.59Å; Y432-F460 HydrophobicContact CE2-CZ 4.33Å; Y432-F460 AromaticContact CZ-CD2 3.76Å; Y432-F460 AromaticContact CZ-CE2 3.22Å; Y432-F460 WeakPolarHBondContact OH-CE2 3.21Å
433	L	98.4	Very high	94.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.8	176.6	178.6	61.8	0	0	0	109.2	L410 I423 I435 V449 F453 L456 F458 F459 F460	L410-L433 HydrophobicContact CB-CD1 4.18Å; L410-L433 HydrophobicContact CD2-CD1 3.78Å; L410-L433 HydrophobicContact CG-CD1 3.97Å; I423-L433 HydrophobicContact CG2-CD1 4.45Å; L433-I435 HydrophobicContact CD1-CG2 3.87Å; L433-I435 HydrophobicContact CG-CG2 4.23Å; L433-V449 HydrophobicContact CD2-CG1 3.85Å; L433-V449 HydrophobicContact CD2-CG2 4.5Å; L433-F453 HydrophobicContact CD2-CE1 4.13Å; L433-F453 HydrophobicContact CD2-CE2 4.34Å; L433-F453 HydrophobicContact CD2-CZ 3.96Å; L433-L456 HydrophobicContact CB-CD1 3.68Å; L433-F458 PolarHBondContact N-O 2.88Å; L433-F459 HydrophobicContact CB-CD2 4.15Å; L433-F459 HydrophobicContact CD2-CD2 3.97Å; L433-F459 HydrophobicContact CD2-CE2 3.69Å; L433-F459 HydrophobicContact CG-CD2 4.09Å; L433-F459 HydrophobicContact CG-CE2 4.09Å; L433-F459 WeakPolarHBondContact O-CA 3.3Å; L433-F460 PolarHBondContact O-N 2.85Å
434	D	98.6	Very high	94.4	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	111.2	171.4	-171.7	-9.7	0	0	0	109.9	L410 L411 L412 K413 Y432 S436 F460	L410-D434 PolarHBondContact O-N 2.92Å; L411-D434 HydrophobicContact CD2-CB 3.73Å; L412-D434 CarbonylContact C-O 3.58Å; L412-D434 WeakPolarHBondContact CA-O 3.38Å; L412-D434 WeakPolarHBondContact CB-O 3.47Å; L412-D434 PolarHBondContact N-O 3.2Å; K413-D434 PolarHBondContact N-O 3.47Å; Y432-D434 HydrophobicContact CE1-CB 4.05Å; D434-S436 VanDerWaalsContact OD1-CB 3.26Å; D434-S436 WeakPolarHBondContact OD1-CB 3.38Å; D434-S436 PolarHBondContact OD1-N 2.8Å; D434-S436 PolarHBondContact OD1-OG 2.94Å; D434-F460 HydrophobicContact CB-CB 4.1Å; D434-F460 HydrophobicContact CB-CD2 4.4Å; D434-F460 WeakPolarHBondContact OD1-CB 3.46Å
435	I	97.6	Very high	94.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.164	C	C	.	.			trans	-122.2	23.9	174	54.3	173.1	0	0	0	110.4	L412 I420 I423 L433 N438 L440 F459 F460 Y461 N464	L412-I435 HydrophobicContact CB-CG2 4Å; L412-I435 HydrophobicContact CD1-CG2 4.09Å; I420-I435 HydrophobicContact CG2-CD1 4.06Å; I423-I435 HydrophobicContact CD1-CG2 4.19Å; L433-I435 HydrophobicContact CD1-CG2 3.87Å; L433-I435 HydrophobicContact CG-CG2 4.23Å; I435-N438 PolarHBondContact O-ND2 2.83Å; I435-L440 HydrophobicContact CD1-CD1 3.78Å; I435-L440 HydrophobicContact CG1-CD1 4.47Å; I435-F459 HydrophobicContact CD1-CE2 3.69Å; I435-F459 HydrophobicContact CD1-CZ 3.98Å; I435-F459 HydrophobicContact CG1-CE2 3.77Å; I435-F459 HydrophobicContact CG1-CZ 4.44Å; I435-F460 PolarHBondContact N-O 3.11Å; I435-Y461 HydrophobicContact CD1-CD2 3.63Å; I435-Y461 HydrophobicContact CD1-CE2 4.01Å; I435-Y461 HydrophobicContact CG1-CD2 4.03Å; I435-N464 PolarHBondContact O-ND2 3.3Å
436	S	98.3	Very high	95	Very high	3 Å²	3	29 Å²	29	2%	0.021	14%	0.138	C	C	.	.			trans	-62.5	160.6	176	60.7	0	0	0	0	112	K413 D414 D434 N438 F460 G462	K413-S436 VanDerWaalsContact CA-O 3.26Å; K413-S436 WeakPolarHBondContact CA-O 3.33Å; K413-S436 WeakPolarHBondContact CD-OG 3.44Å; K413-S436 VanDerWaalsContact CG-OG 3.28Å; K413-S436 WeakPolarHBondContact CG-OG 3.37Å; D414-S436 PolarHBondContact N-O 3.48Å; D414-S436 VanDerWaalsContact N-O 3.07Å; D434-S436 VanDerWaalsContact OD1-CB 3.26Å; D434-S436 WeakPolarHBondContact OD1-CB 3.38Å; D434-S436 PolarHBondContact OD1-N 2.8Å; D434-S436 PolarHBondContact OD1-OG 2.94Å; S436-N438 PolarHBondContact O-N 3.21Å; S436-N438 PolarHBondContact O-ND2 3.07Å; S436-F460 PolarHBondContact N-O 2.92Å; S436-G462 CarbonylContact C-O 3.54Å; S436-G462 WeakPolarHBondContact CA-O 3.22Å; S436-G462 WeakPolarHBondContact CB-O 3.36Å
437	E	97.9	Very high	95.4	Very high	74 Å²	74	27.1 Å²	27.1	35%	0.346	13%	0.129	S	C	.	.	S	Bend	trans	54.5	50.6	176.8	-53.8	-69	-178.6	0	0	112.2	K413 D414 N415 G462 H489	K413-E437 HydrophobicContact CG-CB 4.38Å; K413-E437 HydrophobicContact CG-CG 4.35Å; D414-E437 VanDerWaalsContact CA-O 3.23Å; D414-E437 WeakPolarHBondContact CA-O 3.35Å; D414-E437 HydrophobicContact CB-CB 4.24Å; D414-E437 PolarHBondContact N-O 3.16Å; N415-E437 PolarHBondContact N-O 2.93Å; E437-G462 PolarHBondContact N-O 2.86Å; E437-H489 IonicContact OE1-NE2 2.94Å
438	N	97.8	Very high	95.5	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.064	14%	0.135	C	C	.	.	S	Bend	trans	-119.9	-160.6	178	-88.9	-80.9	0	0	0	110.3	L412 N415 K416 L417 I435 S436 L440 N464	L412-N438 PolarHBondContact O-ND2 2.8Å; N415-N438 WeakPolarHBondContact CA-OD1 3.48Å; N415-N438 WeakPolarHBondContact CB-OD1 3.43Å; K416-N438 PolarHBondContact N-OD1 3.26Å; L417-N438 HydrophobicContact CB-CB 4.24Å; L417-N438 WeakPolarHBondContact CB-OD1 3.47Å; L417-N438 VanDerWaalsContact CG-OD1 3.27Å; L417-N438 WeakPolarHBondContact CG-OD1 3.26Å; L417-N438 PolarHBondContact N-OD1 2.77Å; I435-N438 PolarHBondContact O-ND2 2.83Å; S436-N438 PolarHBondContact O-N 3.21Å; S436-N438 PolarHBondContact O-ND2 3.07Å; N438-L440 HydrophobicContact CB-CG 4.41Å; N438-N464 VanDerWaalsContact CA-OD1 3.25Å; N438-N464 WeakPolarHBondContact CA-OD1 3.11Å; N438-N464 WeakPolarHBondContact CB-OD1 3.47Å; N438-N464 PolarHBondContact N-OD1 2.93Å; N438-N464 PolarHBondContact O-OD1 3.08Å
439	R	96.4	Very high	95.8	Very high	148 Å²	148	25 Å²	25	56%	0.558	12%	0.118	S	C	*	.			trans	-121.6	33.2	-178.4	-59.1	-179.1	-179.3	-158.2	-6.3	111.5	L417 N464	L417-R439 CarbonylContact O-C 3.12Å; L417-R439 VanDerWaalsContact O-CA 3.24Å; L417-R439 WeakPolarHBondContact O-CA 3.42Å; L417-R439 WeakPolarHBondContact O-CB 3.38Å; L417-R439 PolarHBondContact O-N 3.16Å; R439-N464 PolarHBondContact N-OD1 3.42Å
440	L	95.7	Very high	95.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.11	C	C	.	.			trans	-76.2	140.3	174.9	-54.6	172.9	0	0	0	108.9	L417 I420 I435 N438 Y461 N464	L417-L440 PolarHBondContact O-N 3.46Å; I420-L440 HydrophobicContact CG2-CD1 3.9Å; I420-L440 HydrophobicContact CG2-CD2 4.08Å; I435-L440 HydrophobicContact CD1-CD1 3.78Å; I435-L440 HydrophobicContact CG1-CD1 4.47Å; N438-L440 HydrophobicContact CB-CG 4.41Å; L440-Y461 HydrophobicContact CB-CE2 4.36Å; L440-Y461 VanDerWaalsContact CB-OH 3.27Å; L440-Y461 WeakPolarHBondContact CB-OH 3.4Å; L440-Y461 HydrophobicContact CD1-CD2 4.26Å; L440-Y461 HydrophobicContact CD1-CE2 3.51Å; L440-N464 HydrophobicContact CB-CB 4.11Å; L440-N464 VanDerWaalsContact CB-OD1 3.29Å; L440-N464 WeakPolarHBondContact CB-OD1 3.39Å; L440-N464 WeakPolarHBondContact CG-OD1 3.38Å; L440-N464 PolarHBondContact N-OD1 2.93Å
441	T	95.3	Very high	95.6	Very high	51 Å²	51	26.1 Å²	26.1	31%	0.313	12%	0.124	S	C	.	.			trans	-130.6	-6.8	-170.3	53.6	0	0	0	0	113.7	L467 W468	T441-L467 HydrophobicContact CG2-CD1 3.91Å; T441-L467 HydrophobicContact CG2-CG 4.16Å; T441-L467 PolarHBondContact O-N 3.39Å; T441-W468 PolarHBondContact O-N 3.16Å
442	N	94	Very high	95.4	Very high	15 Å²	15	27 Å²	27	8%	0.08	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-117	119.1	-177.3	-179	12.1	0	0	0	110.3	E444 D445 Y461 W468	N442-E444 VanDerWaalsContact ND2-CB 3.29Å; N442-E444 WeakPolarHBondContact ND2-CB 3.35Å; N442-E444 PolarHBondContact ND2-OE2 3.41Å; N442-E444 VanDerWaalsContact ND2-OE2 3.16Å; N442-E444 PolarHBondContact O-N 2.92Å; N442-E444 WeakPolarHBondContact OD1-CB 3.23Å; N442-E444 PolarHBondContact OD1-N 3.34Å; N442-D445 WeakPolarHBondContact O-CB 3.4Å; N442-D445 VanDerWaalsContact O-CG 3.24Å; N442-D445 PolarHBondContact O-N 3.17Å; N442-D445 VanDerWaalsContact O-N 3.17Å; N442-Y461 PolarHBondContact O-OH 3.28Å; N442-W468 HydrophobicContact CB-CD2 4.26Å; N442-W468 HydrophobicContact CB-CE3 4.16Å; N442-W468 HydrophobicContact CB-CH2 3.65Å; N442-W468 HydrophobicContact CB-CZ2 3.7Å; N442-W468 HydrophobicContact CB-CZ3 3.87Å; N442-W468 WeakPolarHBondContact ND2-CH2 3.4Å; N442-W468 WeakPolarHBondContact ND2-CZ3 3.46Å; N442-W468 WeakPolarHBondContact OD1-CZ3 3.44Å
443	L	93.3	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.6	179.4	178.3	55.6	0	0	0	113.5	D445 L446 I466 W468 C469 L493 C502 I505	L443-D445 PolarHBondContact O-N 2.91Å; L443-D445 VanDerWaalsContact O-N 3.13Å; L443-L446 HydrophobicContact CD1-CD1 3.24Å; L443-L446 HydrophobicContact CD1-CG 4.44Å; L443-L446 PolarHBondContact O-N 3.01Å; L443-I466 HydrophobicContact CB-CD1 4.11Å; L443-I466 HydrophobicContact CB-CG2 3.77Å; L443-I466 HydrophobicContact CD1-CD1 3.73Å; L443-I466 HydrophobicContact CG-CD1 4.34Å; L443-W468 PolarHBondContact N-O 3.06Å; L443-C469 HydrophobicContact CB-CB 3.86Å; L443-C469 VanDerWaalsContact CB-SG 3.53Å; L443-C469 HydrophobicContact CD2-CB 4.26Å; L443-C469 HydrophobicContact CG-CB 4.41Å; L443-L493 HydrophobicContact CD1-CD2 4.28Å; L443-L493 HydrophobicContact CD2-CD2 4.03Å; L443-C502 HydrophobicContact CD2-CB 3.76Å; L443-C502 HydrophobicContact CG-CB 4.3Å; L443-I505 HydrophobicContact CD1-CD1 3.33Å; L443-I505 HydrophobicContact CD2-CD1 4.27Å; L443-I505 HydrophobicContact CG-CD1 3.96Å
444	E	93.6	Very high	94.7	Very high	13 Å²	13	32 Å²	32	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-54.8	-28.6	169.9	-168.8	-171.4	-166	0	0	112.6	N442 L446 Y447 V448 N472	N442-E444 VanDerWaalsContact ND2-CB 3.29Å; N442-E444 WeakPolarHBondContact ND2-CB 3.35Å; N442-E444 PolarHBondContact ND2-OE2 3.41Å; N442-E444 VanDerWaalsContact ND2-OE2 3.16Å; N442-E444 PolarHBondContact O-N 2.92Å; N442-E444 WeakPolarHBondContact OD1-CB 3.23Å; N442-E444 PolarHBondContact OD1-N 3.34Å; E444-L446 PolarHBondContact O-N 3.46Å; E444-L446 VanDerWaalsContact O-N 3.09Å; E444-Y447 WeakPolarHBondContact O-CB 3.47Å; E444-Y447 PolarHBondContact O-N 3.38Å; E444-V448 HydrophobicContact CG-CG2 4.06Å; E444-V448 PolarHBondContact O-N 2.87Å; E444-V448 VanDerWaalsContact O-N 3.07Å; E444-N472 VanDerWaalsContact CD-ND2 3.3Å; E444-N472 WeakPolarHBondContact OE1-CB 3.46Å; E444-N472 VanDerWaalsContact OE1-CG 3.28Å; E444-N472 PolarHBondContact OE1-N 3.24Å; E444-N472 PolarHBondContact OE1-ND2 2.96Å; E444-N472 PolarHBondContact OE2-ND2 2.89Å; E444-N472 VanDerWaalsContact OE2-ND2 3.07Å
445	D	93.9	Very high	94.4	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-51.2	-37.5	179.9	-73.5	-25	0	0	0	112.1	I420 N442 L443 V448 V449 Y461	I420-D445 HydrophobicContact CD1-CB 3.8Å; I420-D445 WeakPolarHBondContact CD1-O 3.42Å; I420-D445 HydrophobicContact CG1-CB 4.43Å; I420-D445 WeakPolarHBondContact CG1-OD1 3.31Å; I420-D445 HydrophobicContact CG2-CB 4.47Å; N442-D445 WeakPolarHBondContact O-CB 3.4Å; N442-D445 VanDerWaalsContact O-CG 3.24Å; N442-D445 PolarHBondContact O-N 3.17Å; N442-D445 VanDerWaalsContact O-N 3.17Å; L443-D445 PolarHBondContact O-N 2.91Å; L443-D445 VanDerWaalsContact O-N 3.13Å; D445-V448 PolarHBondContact O-N 2.74Å; D445-V449 WeakPolarHBondContact O-CB 3.4Å; D445-V449 VanDerWaalsContact O-CG2 3.29Å; D445-V449 WeakPolarHBondContact O-CG2 3.41Å; D445-V449 PolarHBondContact O-N 2.81Å; D445-Y461 HydrophobicContact CB-CE2 3.83Å; D445-Y461 PolarHBondContact OD2-OH 3.26Å
446	L	94.3	Very high	94.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-46.4	177.1	-86	125.6	0	0	0	112.8	L443 E444 V448 V449 L450 F459 Y461 L486 L488 I505	L443-L446 HydrophobicContact CD1-CD1 3.24Å; L443-L446 HydrophobicContact CD1-CG 4.44Å; L443-L446 PolarHBondContact O-N 3.01Å; E444-L446 PolarHBondContact O-N 3.46Å; E444-L446 VanDerWaalsContact O-N 3.09Å; L446-V448 VanDerWaalsContact C-N 3.3Å; L446-V448 PolarHBondContact O-N 2.82Å; L446-V449 PolarHBondContact O-N 3.1Å; L446-L450 WeakPolarHBondContact O-CB 3.41Å; L446-L450 VanDerWaalsContact O-CG 3.24Å; L446-L450 WeakPolarHBondContact O-CG 3.21Å; L446-L450 PolarHBondContact O-N 3.06Å; L446-F459 HydrophobicContact CD2-CD1 3.95Å; L446-F459 HydrophobicContact CD2-CE1 3.48Å; L446-F459 VanDerWaalsContact CD2-CE1 3.48Å; L446-F459 HydrophobicContact CD2-CZ 4.48Å; L446-F459 HydrophobicContact CG-CE1 3.84Å; L446-Y461 HydrophobicContact CD1-CD1 3.95Å; L446-Y461 HydrophobicContact CD1-CD2 4.36Å; L446-Y461 HydrophobicContact CD1-CE1 4.08Å; L446-Y461 HydrophobicContact CD1-CE2 4.46Å; L446-Y461 HydrophobicContact CD1-CG 4.12Å; L446-Y461 HydrophobicContact CG-CD2 4.47Å; L446-L486 HydrophobicContact CD2-CD1 3.76Å; L446-L486 HydrophobicContact CD2-CD2 4.41Å; L446-L488 HydrophobicContact CD1-CD2 3.59Å; L446-L488 HydrophobicContact CD2-CD2 3.74Å; L446-L488 HydrophobicContact CG-CD2 4.29Å; L446-I505 HydrophobicContact CB-CD1 4.15Å; L446-I505 HydrophobicContact CD1-CD1 4.09Å; L446-I505 HydrophobicContact CD2-CD1 4.48Å; L446-I505 HydrophobicContact CG-CD1 4.44Å
447	Y	93.8	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-42.3	177.3	-60.6	-106.3	0	0	0	110.7	E444 T451 I471 V475 M477 C502 D504 I505	E444-Y447 WeakPolarHBondContact O-CB 3.47Å; E444-Y447 PolarHBondContact O-N 3.38Å; Y447-T451 WeakPolarHBondContact O-CB 3.44Å; Y447-T451 PolarHBondContact O-N 3.31Å; Y447-T451 PolarHBondContact O-OG1 3.1Å; Y447-I471 HydrophobicContact CD1-CD1 4.32Å; Y447-I471 HydrophobicContact CE1-CD1 3.76Å; Y447-I471 HydrophobicContact CE2-CD1 4.07Å; Y447-I471 HydrophobicContact CE2-CG1 4.47Å; Y447-V475 HydrophobicContact CG-CG1 4.45Å; Y447-M477 HydrophobicContact CD1-CE 3.52Å; Y447-M477 HydrophobicContact CD1-CG 3.75Å; Y447-M477 HydrophobicContact CD1-SD 3.89Å; Y447-M477 HydrophobicContact CD2-CE 3.88Å; Y447-M477 HydrophobicContact CE1-CE 3.67Å; Y447-M477 HydrophobicContact CE1-CG 3.7Å; Y447-M477 HydrophobicContact CE1-SD 4.27Å; Y447-M477 HydrophobicContact CE2-CE 3.99Å; Y447-M477 HydrophobicContact CG-CE 3.64Å; Y447-M477 HydrophobicContact CG-SD 4.34Å; Y447-C502 HydrophobicContact CE2-CB 4.29Å; Y447-C502 WeakPolarHBondContact OH-CA 3.23Å; Y447-C502 VanDerWaalsContact OH-CB 3.31Å; Y447-C502 WeakPolarHBondContact OH-CB 3.22Å; Y447-D504 PolarHBondContact OH-OD1 3.35Å; Y447-I505 HydrophobicContact CE2-CD1 4.45Å; Y447-I505 HydrophobicContact CE2-CG1 4.13Å
448	V	93.2	Very high	94.3	Very high	22 Å²	22	42 Å²	42	13%	0.133	19%	0.19	C	C	.	.	H	α-helix	trans	-68.5	-45.4	-178.5	177.1	0	0	0	0	111.2	I420 I424 E444 D445 L446 T451 H452 V475	I420-V448 HydrophobicContact CD1-CB 4.04Å; I420-V448 HydrophobicContact CD1-CG1 4Å; I424-V448 HydrophobicContact CD1-CG1 3.54Å; I424-V448 HydrophobicContact CG2-CG1 4.28Å; E444-V448 HydrophobicContact CG-CG2 4.06Å; E444-V448 PolarHBondContact O-N 2.87Å; E444-V448 VanDerWaalsContact O-N 3.07Å; D445-V448 PolarHBondContact O-N 2.74Å; L446-V448 VanDerWaalsContact C-N 3.3Å; L446-V448 PolarHBondContact O-N 2.82Å; V448-T451 PolarHBondContact O-N 2.89Å; V448-H452 PolarHBondContact O-N 3.49Å; V448-H452 PolarHBondContact O-ND1 2.85Å; V448-V475 HydrophobicContact CG2-CG1 4.29Å
449	V	94.9	Very high	94.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-52.1	176.1	168.1	0	0	0	0	110.3	I420 I424 L433 D445 L446 T451 H452 F453 L456 F459	I420-V449 HydrophobicContact CD1-CG2 3.64Å; I424-V449 HydrophobicContact CG2-CG2 4.35Å; L433-V449 HydrophobicContact CD2-CG1 3.85Å; L433-V449 HydrophobicContact CD2-CG2 4.5Å; D445-V449 WeakPolarHBondContact O-CB 3.4Å; D445-V449 VanDerWaalsContact O-CG2 3.29Å; D445-V449 WeakPolarHBondContact O-CG2 3.41Å; D445-V449 PolarHBondContact O-N 2.81Å; L446-V449 PolarHBondContact O-N 3.1Å; V449-T451 PolarHBondContact O-N 3.49Å; V449-H452 PolarHBondContact O-N 3.18Å; V449-H452 VanDerWaalsContact O-N 3.11Å; V449-F453 HydrophobicContact CB-CD2 4.48Å; V449-F453 HydrophobicContact CG1-CD2 3.82Å; V449-F453 HydrophobicContact CG1-CE2 4.23Å; V449-F453 HydrophobicContact CG1-CG 4.28Å; V449-F453 WeakPolarHBondContact O-CB 3.46Å; V449-F453 WeakPolarHBondContact O-CD2 3.43Å; V449-F453 PolarHBondContact O-N 2.97Å; V449-L456 HydrophobicContact CG1-CD2 3.74Å; V449-F459 HydrophobicContact CB-CE1 4.18Å; V449-F459 HydrophobicContact CB-CZ 4.01Å; V449-F459 HydrophobicContact CG1-CD1 4.4Å; V449-F459 HydrophobicContact CG1-CE1 3.94Å; V449-F459 HydrophobicContact CG1-CE2 4.08Å; V449-F459 HydrophobicContact CG1-CZ 3.79Å; V449-F459 HydrophobicContact CG2-CZ 4Å
450	L	93.2	Very high	94.4	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-29.1	-177.7	-65.1	173.6	0	0	0	112.6	L446 L456 M477 P478 L483 L509	L446-L450 WeakPolarHBondContact O-CB 3.41Å; L446-L450 VanDerWaalsContact O-CG 3.24Å; L446-L450 WeakPolarHBondContact O-CG 3.21Å; L446-L450 PolarHBondContact O-N 3.06Å; L450-L456 HydrophobicContact CD2-CD2 4.17Å; L450-M477 HydrophobicContact CD1-CE 4.07Å; L450-M477 HydrophobicContact CD1-SD 3.84Å; L450-P478 HydrophobicContact CB-CG 3.95Å; L450-L483 HydrophobicContact CD2-CB 4.5Å; L450-L483 HydrophobicContact CD2-CD1 4.32Å; L450-L483 HydrophobicContact CD2-CD2 3.86Å; L450-L483 HydrophobicContact CD2-CG 4.48Å; L450-L509 HydrophobicContact CD1-CD2 4.15Å
451	T	91.7	Very high	94.6	Very high	46 Å²	46	36.1 Å²	36.1	28%	0.282	17%	0.169	S	C	.	.	H	α-helix	trans	-67.8	-41.5	175	-63	0	0	0	0	112.3	Y447 V448 V449 K454	Y447-T451 WeakPolarHBondContact O-CB 3.44Å; Y447-T451 PolarHBondContact O-N 3.31Å; Y447-T451 PolarHBondContact O-OG1 3.1Å; V448-T451 PolarHBondContact O-N 2.89Å; V449-T451 PolarHBondContact O-N 3.49Å; T451-K454 WeakPolarHBondContact O-CE 3.41Å; T451-K454 PolarHBondContact O-NZ 3.5Å
452	H	92.3	Very high	94.7	Very high	81 Å²	81	33.7 Å²	33.7	38%	0.375	15%	0.154	S	C	.	.	H	α-helix	trans	-87.5	-38.9	-173.8	-69.8	80.2	0	0	0	113.1	I424 V448 V449 K454	I424-H452 HydrophobicContact CB-CB 4.22Å; V448-H452 PolarHBondContact O-N 3.49Å; V448-H452 PolarHBondContact O-ND1 2.85Å; V449-H452 PolarHBondContact O-N 3.18Å; V449-H452 VanDerWaalsContact O-N 3.11Å; H452-K454 PolarHBondContact O-N 3.34Å
453	F	93.4	Very high	94.8	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.022	15%	0.154	C	C	.	.			trans	-86.9	87.6	-177.5	-72.5	-111.2	0	0	0	111.2	I423 I424 W427 N428 L433 V449 R455 L456	I423-F453 HydrophobicContact CG2-CE2 4.48Å; I423-F453 HydrophobicContact CG2-CZ 3.85Å; I424-F453 HydrophobicContact CB-CE2 4.49Å; I424-F453 HydrophobicContact CG2-CE2 3.97Å; W427-F453 WeakPolarHBondContact O-CE1 3.36Å; W427-F453 VanDerWaalsContact O-CZ 3.32Å; W427-F453 WeakPolarHBondContact O-CZ 3.32Å; N428-F453 HydrophobicContact CB-CD2 4.31Å; N428-F453 HydrophobicContact CB-CE2 4.27Å; N428-F453 HydrophobicContact CB-CZ 4.43Å; L433-F453 HydrophobicContact CD2-CE1 4.13Å; L433-F453 HydrophobicContact CD2-CE2 4.34Å; L433-F453 HydrophobicContact CD2-CZ 3.96Å; V449-F453 HydrophobicContact CB-CD2 4.48Å; V449-F453 HydrophobicContact CG1-CD2 3.82Å; V449-F453 HydrophobicContact CG1-CE2 4.23Å; V449-F453 HydrophobicContact CG1-CG 4.28Å; V449-F453 WeakPolarHBondContact O-CB 3.46Å; V449-F453 WeakPolarHBondContact O-CD2 3.43Å; V449-F453 PolarHBondContact O-N 2.97Å; F453-R455 PolarHBondContact O-N 3.36Å; F453-L456 HydrophobicContact CB-CB 3.84Å; F453-L456 HydrophobicContact CB-CD2 4.21Å; F453-L456 HydrophobicContact CB-CG 4.45Å; F453-L456 HydrophobicContact CD1-CD1 4.21Å; F453-L456 PolarHBondContact O-N 3.13Å
454	K	89.6	Confident	95	Very high	154 Å²	154	33.4 Å²	33.4	67%	0.67	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19	-175.4	-60.4	-64.2	-179.7	-163.8	0	114.8	T451 H452 S482	T451-K454 WeakPolarHBondContact O-CE 3.41Å; T451-K454 PolarHBondContact O-NZ 3.5Å; H452-K454 PolarHBondContact O-N 3.34Å; K454-S482 PolarHBondContact O-OG 3.14Å
455	R	92	Very high	95.1	Very high	169 Å²	169	36.4 Å²	36.4	64%	0.638	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	11.7	-173.9	-68.8	-179.5	160.8	-178.5	-5.1	113.4	K431 F453 L457	K431-R455 WeakPolarHBondContact CA-O 3.22Å; K431-R455 HydrophobicContact CG-CB 4.46Å; F453-R455 PolarHBondContact O-N 3.36Å; R455-L457 PolarHBondContact O-N 2.87Å
456	L	96.1	Very high	95.1	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	17%	0.169	C	C	.	.			trans	-68.4	122	-175.6	-162.8	63.1	0	0	0	110.8	L433 V449 L450 F453 F459 S482 L483	L433-L456 HydrophobicContact CB-CD1 3.68Å; V449-L456 HydrophobicContact CG1-CD2 3.74Å; L450-L456 HydrophobicContact CD2-CD2 4.17Å; F453-L456 HydrophobicContact CB-CB 3.84Å; F453-L456 HydrophobicContact CB-CD2 4.21Å; F453-L456 HydrophobicContact CB-CG 4.45Å; F453-L456 HydrophobicContact CD1-CD1 4.21Å; F453-L456 PolarHBondContact O-N 3.13Å; L456-F459 HydrophobicContact CD2-CB 3.77Å; L456-F459 HydrophobicContact CD2-CD1 4.29Å; L456-F459 HydrophobicContact CD2-CD2 4.3Å; L456-F459 HydrophobicContact CD2-CG 3.89Å; L456-F459 HydrophobicContact CG-CB 4.31Å; L456-S482 CarbonylContact O-C 3.21Å; L456-S482 PolarHBondContact O-OG 2.96Å; L456-L483 HydrophobicContact CD2-CD1 4.24Å; L456-L483 HydrophobicContact CG-CD1 4.09Å; L456-L483 WeakPolarHBondContact O-CA 3.43Å; L456-L483 PolarHBondContact O-N 3.2Å
457	L	97.6	Very high	95	Very high	58 Å²	58	40 Å²	40	30%	0.304	19%	0.192	S	C	.	.			trans	-105.4	-39.3	177	-58.6	-179	0	0	0	111.1	K431 R455 S482 V484 V485	K431-L457 HydrophobicContact CB-CD1 4.49Å; K431-L457 HydrophobicContact CB-CG 4.44Å; K431-L457 PolarHBondContact O-N 3.48Å; R455-L457 PolarHBondContact O-N 2.87Å; L457-S482 WeakPolarHBondContact CD2-O 3.07Å; L457-V484 HydrophobicContact CB-CG2 4.42Å; L457-V484 HydrophobicContact CD2-CG2 4.24Å; L457-V484 WeakPolarHBondContact O-CA 3.12Å; L457-V484 WeakPolarHBondContact O-CB 3.35Å; L457-V484 PolarHBondContact O-N 2.97Å; L457-V485 PolarHBondContact O-N 3.28Å
458	F	98.6	Very high	95	Very high	74 Å²	74	45.2 Å²	45.2	33%	0.325	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.2	-177	-56.9	-90.9	0	0	0	109.6	K431 Y432 L433 F460 V485	K431-F458 PolarHBondContact O-N 3.2Å; Y432-F458 HydrophobicContact CD2-CB 3.53Å; Y432-F458 AromaticContact CD2-CD2 3.88Å; Y432-F458 HydrophobicContact CD2-CD2 3.88Å; Y432-F458 AromaticContact CD2-CG 3.78Å; Y432-F458 HydrophobicContact CD2-CG 3.78Å; Y432-F458 HydrophobicContact CE2-CB 3.89Å; Y432-F458 HydrophobicContact CE2-CG 4.12Å; Y432-F458 HydrophobicContact CG-CB 4.09Å; L433-F458 PolarHBondContact N-O 2.88Å; F458-F460 HydrophobicContact CB-CE2 3.88Å; F458-V485 HydrophobicContact CD1-CB 3.72Å; F458-V485 HydrophobicContact CD1-CG2 3.7Å; F458-V485 HydrophobicContact CE1-CB 4.26Å; F458-V485 HydrophobicContact CE1-CG2 3.7Å
459	F	98.3	Very high	95	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.6	179.2	-173	-154.1	0	0	0	111.3	L433 I435 L446 V449 L456 Y461 L483 V485 L486 D487	L433-F459 HydrophobicContact CB-CD2 4.15Å; L433-F459 HydrophobicContact CD2-CD2 3.97Å; L433-F459 HydrophobicContact CD2-CE2 3.69Å; L433-F459 HydrophobicContact CG-CD2 4.09Å; L433-F459 HydrophobicContact CG-CE2 4.09Å; L433-F459 WeakPolarHBondContact O-CA 3.3Å; I435-F459 HydrophobicContact CD1-CE2 3.69Å; I435-F459 HydrophobicContact CD1-CZ 3.98Å; I435-F459 HydrophobicContact CG1-CE2 3.77Å; I435-F459 HydrophobicContact CG1-CZ 4.44Å; L446-F459 HydrophobicContact CD2-CD1 3.95Å; L446-F459 HydrophobicContact CD2-CE1 3.48Å; L446-F459 VanDerWaalsContact CD2-CE1 3.48Å; L446-F459 HydrophobicContact CD2-CZ 4.48Å; L446-F459 HydrophobicContact CG-CE1 3.84Å; V449-F459 HydrophobicContact CB-CE1 4.18Å; V449-F459 HydrophobicContact CB-CZ 4.01Å; V449-F459 HydrophobicContact CG1-CD1 4.4Å; V449-F459 HydrophobicContact CG1-CE1 3.94Å; V449-F459 HydrophobicContact CG1-CE2 4.08Å; V449-F459 HydrophobicContact CG1-CZ 3.79Å; V449-F459 HydrophobicContact CG2-CZ 4Å; L456-F459 HydrophobicContact CD2-CB 3.77Å; L456-F459 HydrophobicContact CD2-CD1 4.29Å; L456-F459 HydrophobicContact CD2-CD2 4.3Å; L456-F459 HydrophobicContact CD2-CG 3.89Å; L456-F459 HydrophobicContact CG-CB 4.31Å; F459-Y461 HydrophobicContact CE2-CD2 4.33Å; F459-Y461 AromaticContact CZ-CD2 3.75Å; F459-Y461 HydrophobicContact CZ-CD2 3.75Å; F459-Y461 HydrophobicContact CZ-CG 4.38Å; F459-L483 HydrophobicContact CB-CD1 3.68Å; F459-V485 PolarHBondContact N-O 3.49Å; F459-L486 HydrophobicContact CB-CD1 4.24Å; F459-L486 HydrophobicContact CD1-CD1 3.75Å; F459-L486 HydrophobicContact CG-CD1 4.29Å; F459-L486 WeakPolarHBondContact O-CA 3.27Å; F459-D487 PolarHBondContact O-N 3.06Å
460	F	98.7	Very high	94.7	Very high	39 Å²	39	48.8 Å²	48.8	17%	0.171	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.9	176.4	-58.6	-95.4	0	0	0	109.6	Y432 L433 D434 I435 S436 F458 V485 D487	Y432-F460 HydrophobicContact CD2-CE2 4.44Å; Y432-F460 AromaticContact CE1-CD2 3.87Å; Y432-F460 HydrophobicContact CE1-CD2 3.87Å; Y432-F460 AromaticContact CE1-CE2 3.81Å; Y432-F460 HydrophobicContact CE1-CE2 3.81Å; Y432-F460 HydrophobicContact CE2-CD2 4.44Å; Y432-F460 AromaticContact CE2-CE2 3.59Å; Y432-F460 HydrophobicContact CE2-CE2 3.59Å; Y432-F460 HydrophobicContact CE2-CZ 4.33Å; Y432-F460 AromaticContact CZ-CD2 3.76Å; Y432-F460 AromaticContact CZ-CE2 3.22Å; Y432-F460 WeakPolarHBondContact OH-CE2 3.21Å; L433-F460 PolarHBondContact O-N 2.85Å; D434-F460 HydrophobicContact CB-CB 4.1Å; D434-F460 HydrophobicContact CB-CD2 4.4Å; D434-F460 WeakPolarHBondContact OD1-CB 3.46Å; I435-F460 PolarHBondContact N-O 3.11Å; S436-F460 PolarHBondContact N-O 2.92Å; F458-F460 HydrophobicContact CB-CE2 3.88Å; F460-V485 HydrophobicContact CZ-CG1 4.46Å; F460-D487 HydrophobicContact CB-CB 4.37Å; F460-D487 HydrophobicContact CD1-CB 3.45Å; F460-D487 VanDerWaalsContact CD1-CB 3.45Å; F460-D487 HydrophobicContact CE1-CB 4.04Å; F460-D487 HydrophobicContact CG-CB 4.19Å
461	Y	98	Very high	94.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.			trans	-121.6	-10.4	-178.5	-173.4	-85.5	0	0	0	112.2	I435 L440 N442 D445 L446 F459 N464 I466 D487 L488	I435-Y461 HydrophobicContact CD1-CD2 3.63Å; I435-Y461 HydrophobicContact CD1-CE2 4.01Å; I435-Y461 HydrophobicContact CG1-CD2 4.03Å; L440-Y461 HydrophobicContact CB-CE2 4.36Å; L440-Y461 VanDerWaalsContact CB-OH 3.27Å; L440-Y461 WeakPolarHBondContact CB-OH 3.4Å; L440-Y461 HydrophobicContact CD1-CD2 4.26Å; L440-Y461 HydrophobicContact CD1-CE2 3.51Å; N442-Y461 PolarHBondContact O-OH 3.28Å; D445-Y461 HydrophobicContact CB-CE2 3.83Å; D445-Y461 PolarHBondContact OD2-OH 3.26Å; L446-Y461 HydrophobicContact CD1-CD1 3.95Å; L446-Y461 HydrophobicContact CD1-CD2 4.36Å; L446-Y461 HydrophobicContact CD1-CE1 4.08Å; L446-Y461 HydrophobicContact CD1-CE2 4.46Å; L446-Y461 HydrophobicContact CD1-CG 4.12Å; L446-Y461 HydrophobicContact CG-CD2 4.47Å; F459-Y461 HydrophobicContact CE2-CD2 4.33Å; F459-Y461 AromaticContact CZ-CD2 3.75Å; F459-Y461 HydrophobicContact CZ-CD2 3.75Å; F459-Y461 HydrophobicContact CZ-CG 4.38Å; Y461-N464 HydrophobicContact CD1-CB 4.22Å; Y461-N464 HydrophobicContact CE1-CB 3.74Å; Y461-N464 PolarHBondContact O-ND2 3.01Å; Y461-I466 HydrophobicContact CE1-CD1 4.24Å; Y461-I466 HydrophobicContact CE1-CG1 4.26Å; Y461-D487 PolarHBondContact N-O 3.33Å; Y461-L488 HydrophobicContact CD1-CD2 4Å; Y461-L488 HydrophobicContact CG-CD2 4.29Å
462	G	97.7	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.256	C	S	.	.			trans	-55.8	161.7	-174.7	0	0	0	0	0	116.3	S436 E437 N464 D487 H489	S436-G462 CarbonylContact C-O 3.54Å; S436-G462 WeakPolarHBondContact CA-O 3.22Å; S436-G462 WeakPolarHBondContact CB-O 3.36Å; E437-G462 PolarHBondContact N-O 2.86Å; G462-N464 VanDerWaalsContact C-N 3.26Å; G462-N464 PolarHBondContact O-N 2.83Å; G462-D487 PolarHBondContact N-O 2.81Å; G462-D487 VanDerWaalsContact N-O 3.17Å; G462-H489 CarbonylContact C-O 3.59Å; G462-H489 VanDerWaalsContact C-O 3.28Å; G462-H489 WeakPolarHBondContact CA-O 3.49Å
463	G	97.1	Very high	93.5	Very high	8 Å²	8	55.9 Å²	55.9	8%	0.082	28%	0.28	C	S	.	.	S	Bend	trans	72.4	16	-175.6	0	0	0	0	0	114	H489 D490	G463-H489 PolarHBondContact N-O 2.94Å; G463-D490 WeakPolarHBondContact CA-O 3.33Å; G463-D490 PolarHBondContact N-O 3.18Å
464	N	97.5	Very high	92.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.			trans	-104.1	118.3	171.2	-79	-79.1	0	0	0	109.7	I435 N438 R439 L440 Y461 G462 I466 S491	I435-N464 PolarHBondContact O-ND2 3.3Å; N438-N464 VanDerWaalsContact CA-OD1 3.25Å; N438-N464 WeakPolarHBondContact CA-OD1 3.11Å; N438-N464 WeakPolarHBondContact CB-OD1 3.47Å; N438-N464 PolarHBondContact N-OD1 2.93Å; N438-N464 PolarHBondContact O-OD1 3.08Å; R439-N464 PolarHBondContact N-OD1 3.42Å; L440-N464 HydrophobicContact CB-CB 4.11Å; L440-N464 VanDerWaalsContact CB-OD1 3.29Å; L440-N464 WeakPolarHBondContact CB-OD1 3.39Å; L440-N464 WeakPolarHBondContact CG-OD1 3.38Å; L440-N464 PolarHBondContact N-OD1 2.93Å; Y461-N464 HydrophobicContact CD1-CB 4.22Å; Y461-N464 HydrophobicContact CE1-CB 3.74Å; Y461-N464 PolarHBondContact O-ND2 3.01Å; G462-N464 VanDerWaalsContact C-N 3.26Å; G462-N464 PolarHBondContact O-N 2.83Å; N464-I466 PolarHBondContact O-N 2.83Å; N464-S491 CarbonylContact O-C 3.27Å; N464-S491 VanDerWaalsContact O-CA 3.25Å; N464-S491 WeakPolarHBondContact O-CA 3.28Å
465	T	94.9	Very high	92.4	Very high	77 Å²	77	54.1 Å²	54.1	47%	0.472	30%	0.299	S	S	.	.			trans	-73.2	91.8	-177.4	-45.8	0	0	0	0	111.9	L467	T465-L467 HydrophobicContact CG2-CD2 4.19Å; T465-L467 PolarHBondContact O-N 2.89Å
466	I	94.1	Very high	92.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.293	C	S	.	.			trans	-66.8	127.5	175.8	-60.1	165.5	0	0	0	109.3	L443 Y461 N464 S491 L493	L443-I466 HydrophobicContact CB-CD1 4.11Å; L443-I466 HydrophobicContact CB-CG2 3.77Å; L443-I466 HydrophobicContact CD1-CD1 3.73Å; L443-I466 HydrophobicContact CG-CD1 4.34Å; Y461-I466 HydrophobicContact CE1-CD1 4.24Å; Y461-I466 HydrophobicContact CE1-CG1 4.26Å; N464-I466 PolarHBondContact O-N 2.83Å; I466-S491 WeakPolarHBondContact CB-O 3.49Å; I466-S491 VanDerWaalsContact CD1-O 3.3Å; I466-S491 WeakPolarHBondContact CD1-O 3.14Å; I466-S491 WeakPolarHBondContact CG1-O 3.34Å; I466-S491 PolarHBondContact N-O 3.14Å; I466-S491 VanDerWaalsContact N-O 3.15Å; I466-L493 HydrophobicContact CD1-CD2 3.71Å
467	L	93.2	Very high	91.9	Very high	95 Å²	95	49.8 Å²	49.8	50%	0.497	29%	0.294	S	S	.	.			trans	-107.1	-28.4	178.6	-62.6	179.8	0	0	0	112.3	T441 T465	T441-L467 HydrophobicContact CG2-CD1 3.91Å; T441-L467 HydrophobicContact CG2-CG 4.16Å; T441-L467 PolarHBondContact O-N 3.39Å; T465-L467 HydrophobicContact CG2-CD2 4.19Å; T465-L467 PolarHBondContact O-N 2.89Å
468	W	92.5	Very high	91.5	Very high	110 Å²	110	47.7 Å²	47.7	42%	0.417	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-156.8	165.5	-176.3	53.5	-86.6	0	0	0	111.1	T441 N442 L443 T470	T441-W468 PolarHBondContact O-N 3.16Å; N442-W468 HydrophobicContact CB-CD2 4.26Å; N442-W468 HydrophobicContact CB-CE3 4.16Å; N442-W468 HydrophobicContact CB-CH2 3.65Å; N442-W468 HydrophobicContact CB-CZ2 3.7Å; N442-W468 HydrophobicContact CB-CZ3 3.87Å; N442-W468 WeakPolarHBondContact ND2-CH2 3.4Å; N442-W468 WeakPolarHBondContact ND2-CZ3 3.46Å; N442-W468 WeakPolarHBondContact OD1-CZ3 3.44Å; L443-W468 PolarHBondContact N-O 3.06Å; W468-T470 VanDerWaalsContact CE3-N 3.34Å; W468-T470 VanDerWaalsContact CZ3-CB 3.47Å; W468-T470 WeakPolarHBondContact CZ3-OG1 3.16Å
469	C	92.8	Very high	90.8	Very high	10 Å²	10	49.5 Å²	49.5	7%	0.068	30%	0.303	C	S	.	.			trans	-136.2	105.1	169.9	-163.4	0	0	0	0	110.4	L443 S496 H501 C502	L443-C469 HydrophobicContact CB-CB 3.86Å; L443-C469 VanDerWaalsContact CB-SG 3.53Å; L443-C469 HydrophobicContact CD2-CB 4.26Å; L443-C469 HydrophobicContact CG-CB 4.41Å; C469-S496 WeakPolarHBondContact CB-OG 3.41Å; C469-H501 HydrophobicContact CB-CB 4.25Å; C469-C502 HydrophobicContact CB-CB 3.79Å; C469-C502 WeakPolarHBondContact CB-SG 3.15Å; C469-C502 WeakPolarHBondContact SG-CB 3.49Å; C469-C502 CovalentContact SG-SG 1.99Å; C469-C502 PolarHBondContact SG-SG 3.31Å
470	T	88.4	Confident	90	Very high	88 Å²	88	56 Å²	56	54%	0.54	34%	0.338	S	S	.	.			trans	-122.6	110.2	175.5	-47.6	0	0	0	0	107	W468	W468-T470 VanDerWaalsContact CE3-N 3.34Å; W468-T470 VanDerWaalsContact CZ3-CB 3.47Å; W468-T470 WeakPolarHBondContact CZ3-OG1 3.16Å
471	I	85.7	Confident	89.5	Confident	54 Å²	54	54.8 Å²	54.8	28%	0.277	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-87.6	125.4	-178.5	-55.9	175.7	0	0	0	108.6	Y447 V475	Y447-I471 HydrophobicContact CD1-CD1 4.32Å; Y447-I471 HydrophobicContact CE1-CD1 3.76Å; Y447-I471 HydrophobicContact CE2-CD1 4.07Å; Y447-I471 HydrophobicContact CE2-CG1 4.47Å; I471-V475 HydrophobicContact CG2-CB 3.75Å; I471-V475 HydrophobicContact CG2-CG1 4.05Å; I471-V475 VanDerWaalsContact CG2-O 3.24Å; I471-V475 WeakPolarHBondContact CG2-O 3.27Å
472	N	86.4	Confident	89.2	Confident	93 Å²	93	56.5 Å²	56.5	50%	0.497	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.7	146	175.5	-73.5	-61.8	0	0	0	111.2	E444 G474 V475	E444-N472 VanDerWaalsContact CD-ND2 3.3Å; E444-N472 WeakPolarHBondContact OE1-CB 3.46Å; E444-N472 VanDerWaalsContact OE1-CG 3.28Å; E444-N472 PolarHBondContact OE1-N 3.24Å; E444-N472 PolarHBondContact OE1-ND2 2.96Å; E444-N472 PolarHBondContact OE2-ND2 2.89Å; E444-N472 VanDerWaalsContact OE2-ND2 3.07Å; N472-G474 PolarHBondContact O-N 3.21Å; N472-V475 HydrophobicContact CB-CG2 4.25Å; N472-V475 PolarHBondContact O-N 3.12Å
473	P	80.7	Confident	89.2	Confident	136 Å²	136	56.5 Å²	56.5	88%	0.883	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	123.8	178.5	-24.2	33	0	0	0	112
474	G	77.2	Confident	89.2	Confident	82 Å²	82	58 Å²	58	85%	0.845	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-4.4	-179.6	0	0	0	0	0	115.2	N472	N472-G474 PolarHBondContact O-N 3.21Å
475	V	83.9	Confident	89.2	Confident	41 Å²	41	59.9 Å²	59.9	25%	0.248	36%	0.364	C	S	.	.			trans	-89.1	129.7	167.7	-179.5	0	0	0	0	108.6	Y447 V448 I471 N472	Y447-V475 HydrophobicContact CG-CG1 4.45Å; V448-V475 HydrophobicContact CG2-CG1 4.29Å; I471-V475 HydrophobicContact CG2-CB 3.75Å; I471-V475 HydrophobicContact CG2-CG1 4.05Å; I471-V475 VanDerWaalsContact CG2-O 3.24Å; I471-V475 WeakPolarHBondContact CG2-O 3.27Å; N472-V475 HydrophobicContact CB-CG2 4.25Å; N472-V475 PolarHBondContact O-N 3.12Å
476	S	87.2	Confident	89.4	Confident	74 Å²	74	56.2 Å²	56.2	52%	0.517	34%	0.342	S	S	.	.			trans	-153.1	164.5	176.5	57.7	0	0	0	0	109.3
477	M	89.6	Confident	89.6	Confident	7 Å²	7	57.1 Å²	57.1	3%	0.034	35%	0.346	C	S	.	.			trans	-62.8	124.1	178.1	-83.5	-56.9	170.7	0	0	111	Y447 L450 I505 N508	Y447-M477 HydrophobicContact CD1-CE 3.52Å; Y447-M477 HydrophobicContact CD1-CG 3.75Å; Y447-M477 HydrophobicContact CD1-SD 3.89Å; Y447-M477 HydrophobicContact CD2-CE 3.88Å; Y447-M477 HydrophobicContact CE1-CE 3.67Å; Y447-M477 HydrophobicContact CE1-CG 3.7Å; Y447-M477 HydrophobicContact CE1-SD 4.27Å; Y447-M477 HydrophobicContact CE2-CE 3.99Å; Y447-M477 HydrophobicContact CG-CE 3.64Å; Y447-M477 HydrophobicContact CG-SD 4.34Å; L450-M477 HydrophobicContact CD1-CE 4.07Å; L450-M477 HydrophobicContact CD1-SD 3.84Å; M477-I505 HydrophobicContact CE-CB 4.14Å; M477-I505 HydrophobicContact CE-CD1 4.5Å; M477-I505 HydrophobicContact CE-CG1 3.36Å; M477-I505 WeakPolarHBondContact CE-O 3.22Å; M477-N508 HydrophobicContact CB-CB 4.48Å; M477-N508 PolarHBondContact O-ND2 3.05Å; M477-N508 VanDerWaalsContact O-ND2 3.1Å
478	P	88.9	Confident	89.9	Confident	14 Å²	14	52.6 Å²	52.6	9%	0.091	32%	0.323	C	S	.	.			trans	-64.8	136.4	-175.3	26.2	-34.1	0	0	0	110.6	L450 N480 N508	L450-P478 HydrophobicContact CB-CG 3.95Å; P478-N480 PolarHBondContact O-N 3.11Å; P478-N508 WeakPolarHBondContact O-CB 3.44Å
479	P	84.6	Confident	90.1	Very high	111 Å²	111	49 Å²	49	72%	0.721	31%	0.311	S	S	*	.	S	Bend	trans	-69.5	-18.6	-174.9	27.8	-35.8	0	0	0	113.3
480	N	81.8	Confident	90.3	Very high	137 Å²	137	52.1 Å²	52.1	73%	0.733	33%	0.326	S	S	*	.	S	Bend	trans	-132	111.6	178.1	-168.4	8.2	0	0	0	109.2	P478	P478-N480 PolarHBondContact O-N 3.11Å
481	N	87.1	Confident	90.7	Very high	14 Å²	14	47.9 Å²	47.9	8%	0.075	30%	0.301	C	S	.	.			trans	-131.5	155.2	175.3	65.2	84.7	0	0	0	109.8	L483 N508 L509 N511	N481-L483 PolarHBondContact OD1-N 3.33Å; N481-N508 PolarHBondContact ND2-O 3.49Å; N481-L509 WeakPolarHBondContact ND2-CD2 3.11Å; N481-N511 PolarHBondContact O-ND2 3.24Å
482	S	92.1	Very high	91.2	Very high	36 Å²	36	46.5 Å²	46.5	25%	0.252	30%	0.295	S	S	.	.			trans	-102.9	12.4	179.3	46.3	0	0	0	0	112.5	K454 L456 L457 V484	K454-S482 PolarHBondContact O-OG 3.14Å; L456-S482 CarbonylContact O-C 3.21Å; L456-S482 PolarHBondContact O-OG 2.96Å; L457-S482 WeakPolarHBondContact CD2-O 3.07Å; S482-V484 WeakPolarHBondContact O-CG2 3.21Å; S482-V484 PolarHBondContact O-N 2.85Å
483	L	96.6	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	27%	0.272	C	S	.	.			trans	-68.4	128.8	-171.2	-166.1	71	0	0	0	110.8	L450 L456 F459 N481 L486 L509 N511 L512	L450-L483 HydrophobicContact CD2-CB 4.5Å; L450-L483 HydrophobicContact CD2-CD1 4.32Å; L450-L483 HydrophobicContact CD2-CD2 3.86Å; L450-L483 HydrophobicContact CD2-CG 4.48Å; L456-L483 HydrophobicContact CD2-CD1 4.24Å; L456-L483 HydrophobicContact CG-CD1 4.09Å; L456-L483 WeakPolarHBondContact O-CA 3.43Å; L456-L483 PolarHBondContact O-N 3.2Å; F459-L483 HydrophobicContact CB-CD1 3.68Å; N481-L483 PolarHBondContact OD1-N 3.33Å; L483-L486 HydrophobicContact CD2-CB 3.92Å; L483-L486 HydrophobicContact CD2-CD1 4.35Å; L483-L486 HydrophobicContact CD2-CD2 4.33Å; L483-L486 HydrophobicContact CD2-CG 4.43Å; L483-L509 HydrophobicContact CD2-CD1 4.36Å; L483-L509 HydrophobicContact CD2-CD2 4.45Å; L483-N511 CarbonylContact O-C 3.24Å; L483-N511 VanDerWaalsContact O-C 3.24Å; L483-L512 HydrophobicContact CD2-CD1 3.94Å; L483-L512 HydrophobicContact CG-CD1 3.93Å; L483-L512 WeakPolarHBondContact O-CA 3.37Å; L483-L512 PolarHBondContact O-N 2.99Å
484	V	97.7	Very high	92.3	Very high	39 Å²	39	37 Å²	37	24%	0.236	24%	0.237	C	C	.	.			trans	-109.8	-39.7	-177.9	-178.3	0	0	0	0	110.8	L457 S482 I513 G514	L457-V484 HydrophobicContact CB-CG2 4.42Å; L457-V484 HydrophobicContact CD2-CG2 4.24Å; L457-V484 WeakPolarHBondContact O-CA 3.12Å; L457-V484 WeakPolarHBondContact O-CB 3.35Å; L457-V484 PolarHBondContact O-N 2.97Å; S482-V484 WeakPolarHBondContact O-CG2 3.21Å; S482-V484 PolarHBondContact O-N 2.85Å; V484-I513 HydrophobicContact CG1-CB 4Å; V484-I513 HydrophobicContact CG1-CD1 3.74Å; V484-I513 HydrophobicContact CG1-CG1 3.91Å; V484-I513 PolarHBondContact O-N 3.05Å; V484-G514 PolarHBondContact O-N 2.82Å; V484-G514 VanDerWaalsContact O-N 3.12Å
485	V	98.6	Very high	92.9	Very high	39 Å²	39	36.7 Å²	36.7	24%	0.236	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.4	178.6	-179.4	0	0	0	0	109.9	L457 F458 F459 F460 G514	L457-V485 PolarHBondContact O-N 3.28Å; F458-V485 HydrophobicContact CD1-CB 3.72Å; F458-V485 HydrophobicContact CD1-CG2 3.7Å; F458-V485 HydrophobicContact CE1-CB 4.26Å; F458-V485 HydrophobicContact CE1-CG2 3.7Å; F459-V485 PolarHBondContact N-O 3.49Å; F460-V485 HydrophobicContact CZ-CG1 4.46Å; V485-G514 WeakPolarHBondContact CA-O 3.14Å
486	L	98.6	Very high	93.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.4	175.1	178	56.2	0	0	0	109.3	L446 F459 L483 L488 F506 L509 L512 G514 L515 N516	L446-L486 HydrophobicContact CD2-CD1 3.76Å; L446-L486 HydrophobicContact CD2-CD2 4.41Å; F459-L486 HydrophobicContact CB-CD1 4.24Å; F459-L486 HydrophobicContact CD1-CD1 3.75Å; F459-L486 HydrophobicContact CG-CD1 4.29Å; F459-L486 WeakPolarHBondContact O-CA 3.27Å; L483-L486 HydrophobicContact CD2-CB 3.92Å; L483-L486 HydrophobicContact CD2-CD1 4.35Å; L483-L486 HydrophobicContact CD2-CD2 4.33Å; L483-L486 HydrophobicContact CD2-CG 4.43Å; L486-L488 HydrophobicContact CD1-CD2 4.24Å; L486-L488 HydrophobicContact CD1-CG 4.16Å; L486-L488 HydrophobicContact CD2-CD1 4.07Å; L486-L488 HydrophobicContact CD2-CG 4.37Å; L486-L488 HydrophobicContact CG-CD1 4.28Å; L486-L488 HydrophobicContact CG-CG 4.04Å; L486-F506 HydrophobicContact CD2-CD1 4.33Å; L486-F506 HydrophobicContact CD2-CE1 3.85Å; L486-L509 HydrophobicContact CD2-CD1 3.97Å; L486-L512 HydrophobicContact CB-CD1 3.74Å; L486-L512 HydrophobicContact CB-CD2 4.25Å; L486-G514 PolarHBondContact N-O 3.04Å; L486-L515 HydrophobicContact CB-CD1 4.13Å; L486-L515 HydrophobicContact CD2-CD1 4.13Å; L486-L515 HydrophobicContact CG-CD1 4.09Å; L486-L515 WeakPolarHBondContact O-CA 3.4Å; L486-N516 PolarHBondContact O-N 2.81Å
487	D	98.6	Very high	93.6	Very high	19 Å²	19	31.8 Å²	31.8	10%	0.102	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.2	175	-169.9	-39.2	0	0	0	110.8	F459 F460 Y461 G462 H489 N516	F459-D487 PolarHBondContact O-N 3.06Å; F460-D487 HydrophobicContact CB-CB 4.37Å; F460-D487 HydrophobicContact CD1-CB 3.45Å; F460-D487 VanDerWaalsContact CD1-CB 3.45Å; F460-D487 HydrophobicContact CE1-CB 4.04Å; F460-D487 HydrophobicContact CG-CB 4.19Å; Y461-D487 PolarHBondContact N-O 3.33Å; G462-D487 PolarHBondContact N-O 2.81Å; G462-D487 VanDerWaalsContact N-O 3.17Å; D487-H489 IonicContact OD1-CE1 3.48Å; D487-H489 IonicContact OD1-CG 3.91Å; D487-H489 PolarHBondContact OD1-N 3.03Å; D487-H489 IonicContact OD1-ND1 3.87Å; D487-H489 PolarHBondContact OD1-ND1 2.87Å; D487-H489 IonicContact OD2-ND1 2.71Å; D487-H489 PolarHBondContact OD2-ND1 3.22Å; D487-N516 HydrophobicContact CB-CB 4.25Å; D487-N516 PolarHBondContact OD2-ND2 3.44Å
488	L	98.1	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.			trans	-124.1	28.1	176.9	-62.3	175.5	0	0	0	111.1	L446 Y461 L486 S491 L493 F506 N516 I517 N520	L446-L488 HydrophobicContact CD1-CD2 3.59Å; L446-L488 HydrophobicContact CD2-CD2 3.74Å; L446-L488 HydrophobicContact CG-CD2 4.29Å; Y461-L488 HydrophobicContact CD1-CD2 4Å; Y461-L488 HydrophobicContact CG-CD2 4.29Å; L486-L488 HydrophobicContact CD1-CD2 4.24Å; L486-L488 HydrophobicContact CD1-CG 4.16Å; L486-L488 HydrophobicContact CD2-CD1 4.07Å; L486-L488 HydrophobicContact CD2-CG 4.37Å; L486-L488 HydrophobicContact CG-CD1 4.28Å; L486-L488 HydrophobicContact CG-CG 4.04Å; L488-S491 VanDerWaalsContact C-OG 3.31Å; L488-S491 WeakPolarHBondContact O-CB 3.49Å; L488-S491 PolarHBondContact O-OG 3.47Å; L488-L493 HydrophobicContact CB-CD1 4.28Å; L488-L493 HydrophobicContact CD1-CD1 4.31Å; L488-F506 HydrophobicContact CD1-CE1 3.97Å; L488-F506 HydrophobicContact CD1-CZ 3.98Å; L488-N516 CarbonylContact C-O 3.5Å; L488-N516 WeakPolarHBondContact CA-O 3.32Å; L488-N516 PolarHBondContact N-O 3.19Å; L488-I517 HydrophobicContact CB-CG2 3.98Å; L488-I517 HydrophobicContact CD1-CG2 4.25Å; L488-N520 PolarHBondContact O-ND2 3.17Å
489	H	98.1	Very high	93.9	Very high	35 Å²	35	40 Å²	40	16%	0.162	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	151.2	177.5	73.9	-88.5	0	0	0	111.1	E437 G462 G463 D487 S491 N516 S518	E437-H489 IonicContact OE1-NE2 2.94Å; G462-H489 CarbonylContact C-O 3.59Å; G462-H489 VanDerWaalsContact C-O 3.28Å; G462-H489 WeakPolarHBondContact CA-O 3.49Å; G463-H489 PolarHBondContact N-O 2.94Å; D487-H489 IonicContact OD1-CE1 3.48Å; D487-H489 IonicContact OD1-CG 3.91Å; D487-H489 PolarHBondContact OD1-N 3.03Å; D487-H489 IonicContact OD1-ND1 3.87Å; D487-H489 PolarHBondContact OD1-ND1 2.87Å; D487-H489 IonicContact OD2-ND1 2.71Å; D487-H489 PolarHBondContact OD2-ND1 3.22Å; H489-S491 PolarHBondContact O-N 3.49Å; H489-S491 PolarHBondContact O-OG 3.04Å; H489-N516 PolarHBondContact N-O 3.31Å; H489-S518 CarbonylContact C-O 3.01Å; H489-S518 VanDerWaalsContact CA-O 3.26Å; H489-S518 WeakPolarHBondContact CA-O 3.45Å; H489-S518 WeakPolarHBondContact CB-OG 3.34Å
490	D	97.4	Very high	94.2	Very high	74 Å²	74	36.8 Å²	36.8	40%	0.396	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.1	42.7	174.8	-162.9	13	0	0	0	114.1	G463 S518 F519	G463-D490 WeakPolarHBondContact CA-O 3.33Å; G463-D490 PolarHBondContact N-O 3.18Å; D490-S518 PolarHBondContact N-O 3.39Å; D490-F519 WeakPolarHBondContact CA-O 3.41Å; D490-F519 HydrophobicContact CB-CB 3.81Å
491	S	96.8	Very high	94.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.202	C	C	.	.			trans	-101.3	4.8	-176.2	-63	0	0	0	0	112.6	N464 I466 L488 H489 L493 N520	N464-S491 CarbonylContact O-C 3.27Å; N464-S491 VanDerWaalsContact O-CA 3.25Å; N464-S491 WeakPolarHBondContact O-CA 3.28Å; I466-S491 WeakPolarHBondContact CB-O 3.49Å; I466-S491 VanDerWaalsContact CD1-O 3.3Å; I466-S491 WeakPolarHBondContact CD1-O 3.14Å; I466-S491 WeakPolarHBondContact CG1-O 3.34Å; I466-S491 PolarHBondContact N-O 3.14Å; I466-S491 VanDerWaalsContact N-O 3.15Å; L488-S491 VanDerWaalsContact C-OG 3.31Å; L488-S491 WeakPolarHBondContact O-CB 3.49Å; L488-S491 PolarHBondContact O-OG 3.47Å; H489-S491 PolarHBondContact O-N 3.49Å; H489-S491 PolarHBondContact O-OG 3.04Å; S491-L493 VanDerWaalsContact C-N 3.27Å; S491-L493 PolarHBondContact O-N 3.02Å; S491-N520 VanDerWaalsContact C-OD1 3.3Å; S491-N520 WeakPolarHBondContact CA-OD1 3.37Å; S491-N520 WeakPolarHBondContact CB-OD1 3.49Å; S491-N520 PolarHBondContact N-OD1 3.31Å
492	S	94.7	Very high	95	Very high	24 Å²	24	34.4 Å²	34.4	17%	0.168	20%	0.202	C	C	.	.			trans	56.4	33.7	-177.7	-59.1	0	0	0	0	114.6	Q494 I495 N520	S492-Q494 PolarHBondContact O-N 3.29Å; S492-Q494 VanDerWaalsContact O-N 3.09Å; S492-I495 PolarHBondContact O-N 3.05Å; S492-N520 PolarHBondContact N-OD1 3.5Å
493	L	95.1	Very high	95	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-29.4	-176.1	-70.4	172.1	0	0	0	114.2	L443 I466 L488 S491 I495 S496 W497 I517 N520 L522	L443-L493 HydrophobicContact CD1-CD2 4.28Å; L443-L493 HydrophobicContact CD2-CD2 4.03Å; I466-L493 HydrophobicContact CD1-CD2 3.71Å; L488-L493 HydrophobicContact CB-CD1 4.28Å; L488-L493 HydrophobicContact CD1-CD1 4.31Å; S491-L493 VanDerWaalsContact C-N 3.27Å; S491-L493 PolarHBondContact O-N 3.02Å; L493-I495 PolarHBondContact O-N 3.05Å; L493-I495 VanDerWaalsContact O-N 3.13Å; L493-S496 PolarHBondContact O-N 3.42Å; L493-S496 VanDerWaalsContact O-N 3.15Å; L493-W497 HydrophobicContact CB-CD2 4.28Å; L493-W497 HydrophobicContact CB-CE3 4.48Å; L493-W497 HydrophobicContact CD1-CH2 3.99Å; L493-W497 HydrophobicContact CD1-CZ2 3.94Å; L493-W497 HydrophobicContact CD2-CZ2 4.47Å; L493-W497 PolarHBondContact O-N 3.39Å; L493-I517 HydrophobicContact CD1-CG2 3.92Å; L493-N520 HydrophobicContact CB-CB 4.15Å; L493-N520 WeakPolarHBondContact CB-OD1 3.42Å; L493-N520 HydrophobicContact CD1-CB 4.5Å; L493-N520 VanDerWaalsContact CG-OD1 3.22Å; L493-N520 WeakPolarHBondContact CG-OD1 3.39Å; L493-N520 PolarHBondContact N-OD1 3.42Å; L493-L522 HydrophobicContact CB-CD2 4.15Å
494	Q	94.9	Very high	94.8	Very high	31 Å²	31	38.3 Å²	38.3	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-52.3	-36.4	178.3	178.4	61.4	28.8	0	0	112.8	S492 A498 N520 S521 L522	S492-Q494 PolarHBondContact O-N 3.29Å; S492-Q494 VanDerWaalsContact O-N 3.09Å; Q494-A498 WeakPolarHBondContact O-CB 3.23Å; Q494-A498 PolarHBondContact O-N 2.9Å; Q494-N520 WeakPolarHBondContact CB-O 3.26Å; Q494-S521 WeakPolarHBondContact CB-O 3.27Å; Q494-S521 WeakPolarHBondContact CG-O 3.19Å; Q494-L522 HydrophobicContact CB-CD2 4.21Å
495	I	90.9	Very high	94.6	Very high	74 Å²	74	36.5 Å²	36.5	38%	0.379	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-45.8	-177.6	-60.7	175.1	0	0	0	110.8	S492 L493 Q499	S492-I495 PolarHBondContact O-N 3.05Å; L493-I495 PolarHBondContact O-N 3.05Å; L493-I495 VanDerWaalsContact O-N 3.13Å; I495-Q499 WeakPolarHBondContact O-CG 3.48Å
496	S	92.1	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-75.9	-43.7	-179.3	-174.2	0	0	0	0	111.9	C469 L493 Q499 G500 H501	C469-S496 WeakPolarHBondContact CB-OG 3.41Å; L493-S496 PolarHBondContact O-N 3.42Å; L493-S496 VanDerWaalsContact O-N 3.15Å; S496-Q499 PolarHBondContact O-N 2.93Å; S496-G500 PolarHBondContact O-N 2.91Å; S496-H501 PolarHBondContact O-N 3.35Å; S496-H501 PolarHBondContact OG-O 3.32Å
497	W	93.7	Very high	94	Very high	13 Å²	13	36.2 Å²	36.2	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-34.1	-175.6	-71.5	-2.4	0	0	0	113.1	L493 Q499 G500 L503 F506 L522 P526 V529	L493-W497 HydrophobicContact CB-CD2 4.28Å; L493-W497 HydrophobicContact CB-CE3 4.48Å; L493-W497 HydrophobicContact CD1-CH2 3.99Å; L493-W497 HydrophobicContact CD1-CZ2 3.94Å; L493-W497 HydrophobicContact CD2-CZ2 4.47Å; L493-W497 PolarHBondContact O-N 3.39Å; W497-Q499 PolarHBondContact O-N 3.04Å; W497-G500 PolarHBondContact O-N 2.84Å; W497-L503 HydrophobicContact CB-CD2 4.17Å; W497-L503 HydrophobicContact CG-CD2 4.02Å; W497-F506 AromaticContact CH2-CE2 3.93Å; W497-F506 HydrophobicContact CH2-CE2 3.93Å; W497-F506 HydrophobicContact CH2-CZ 4.42Å; W497-F506 AromaticContact CZ2-CE2 3.81Å; W497-F506 HydrophobicContact CZ2-CE2 3.81Å; W497-F506 HydrophobicContact CZ2-CZ 4.22Å; W497-L522 HydrophobicContact CE3-CD2 3.56Å; W497-L522 HydrophobicContact CZ3-CD1 3.92Å; W497-L522 HydrophobicContact CZ3-CD2 3.78Å; W497-P526 HydrophobicContact CB-CG 4.13Å; W497-P526 HydrophobicContact CD2-CG 4.14Å; W497-P526 HydrophobicContact CE3-CG 3.94Å; W497-P526 HydrophobicContact CG-CG 4.25Å; W497-V529 HydrophobicContact CH2-CG2 4.37Å; W497-V529 HydrophobicContact CZ2-CG2 4.35Å
498	A	92.1	Very high	93.6	Very high	74 Å²	74	37.8 Å²	37.8	61%	0.612	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.2	173.6	0	0	0	0	0	113.1	Q494	Q494-A498 WeakPolarHBondContact O-CB 3.23Å; Q494-A498 PolarHBondContact O-N 2.9Å
499	Q	92.2	Very high	93.4	Very high	120 Å²	120	37.8 Å²	37.8	56%	0.561	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.6	175.6	-62.5	175.9	4.8	0	0	113	I495 S496 W497 H501	I495-Q499 WeakPolarHBondContact O-CG 3.48Å; S496-Q499 PolarHBondContact O-N 2.93Å; W497-Q499 PolarHBondContact O-N 3.04Å; Q499-H501 VanDerWaalsContact C-N 3.35Å
500	G	91.3	Very high	93.2	Very high	43 Å²	43	41 Å²	41	44%	0.443	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	20	-177.6	0	0	0	0	0	114.2	S496 W497	S496-G500 PolarHBondContact O-N 2.91Å; W497-G500 PolarHBondContact O-N 2.84Å
501	H	92.3	Very high	93.1	Very high	89 Å²	89	41.3 Å²	41.3	41%	0.412	23%	0.231	S	C	.	.			trans	-96.8	139.3	179.9	-64.2	-47.5	0	0	0	111.9	C469 S496 Q499 L503	C469-H501 HydrophobicContact CB-CB 4.25Å; S496-H501 PolarHBondContact O-N 3.35Å; S496-H501 PolarHBondContact OG-O 3.32Å; Q499-H501 VanDerWaalsContact C-N 3.35Å; H501-L503 VanDerWaalsContact C-N 3.33Å; H501-L503 PolarHBondContact O-N 3.08Å
502	C	92.9	Very high	93.1	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.074	23%	0.231	C	C	.	.	S	Bend	trans	58.6	40.4	173	-59.1	0	0	0	0	114.3	L443 Y447 C469 D504	L443-C502 HydrophobicContact CD2-CB 3.76Å; L443-C502 HydrophobicContact CG-CB 4.3Å; Y447-C502 HydrophobicContact CE2-CB 4.29Å; Y447-C502 WeakPolarHBondContact OH-CA 3.23Å; Y447-C502 VanDerWaalsContact OH-CB 3.31Å; Y447-C502 WeakPolarHBondContact OH-CB 3.22Å; C469-C502 HydrophobicContact CB-CB 3.79Å; C469-C502 WeakPolarHBondContact CB-SG 3.15Å; C469-C502 WeakPolarHBondContact SG-CB 3.49Å; C469-C502 CovalentContact SG-SG 1.99Å; C469-C502 PolarHBondContact SG-SG 3.31Å; C502-D504 VanDerWaalsContact C-N 3.26Å
503	L	92.7	Very high	93.3	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.325	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.9	175.3	-56.4	-176.5	0	0	0	112.6	W497 H501 I505 P526	W497-L503 HydrophobicContact CB-CD2 4.17Å; W497-L503 HydrophobicContact CG-CD2 4.02Å; H501-L503 VanDerWaalsContact C-N 3.33Å; H501-L503 PolarHBondContact O-N 3.08Å; L503-I505 VanDerWaalsContact C-N 3.31Å; L503-P526 HydrophobicContact CD1-CB 4.46Å; L503-P526 HydrophobicContact CD2-CB 3.91Å; L503-P526 HydrophobicContact CD2-CG 3.75Å
504	D	92.2	Very high	93.4	Very high	57 Å²	57	43.9 Å²	43.9	31%	0.305	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5.3	-179.8	68.7	-31.7	0	0	0	113.4	Y447 C502 F506 D507	Y447-D504 PolarHBondContact OH-OD1 3.35Å; C502-D504 VanDerWaalsContact C-N 3.26Å; D504-F506 PolarHBondContact O-N 2.76Å; D504-D507 HydrophobicContact CB-CB 4.44Å; D504-D507 WeakPolarHBondContact CB-OD2 3.49Å; D504-D507 WeakPolarHBondContact O-CB 3.42Å; D504-D507 PolarHBondContact O-N 2.87Å
505	I	93	Very high	93.6	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22	-173.7	-163.4	175.4	0	0	0	113.4	L443 L446 Y447 M477 L503	L443-I505 HydrophobicContact CD1-CD1 3.33Å; L443-I505 HydrophobicContact CD2-CD1 4.27Å; L443-I505 HydrophobicContact CG-CD1 3.96Å; L446-I505 HydrophobicContact CB-CD1 4.15Å; L446-I505 HydrophobicContact CD1-CD1 4.09Å; L446-I505 HydrophobicContact CD2-CD1 4.48Å; L446-I505 HydrophobicContact CG-CD1 4.44Å; Y447-I505 HydrophobicContact CE2-CD1 4.45Å; Y447-I505 HydrophobicContact CE2-CG1 4.13Å; M477-I505 HydrophobicContact CE-CB 4.14Å; M477-I505 HydrophobicContact CE-CD1 4.5Å; M477-I505 HydrophobicContact CE-CG1 3.36Å; M477-I505 WeakPolarHBondContact CE-O 3.22Å; L503-I505 VanDerWaalsContact C-N 3.31Å
506	F	94.8	Very high	94	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-1.6	-179.9	-54.3	-50	0	0	0	114.3	L486 L488 W497 D504 N508 L509 L515 I517 V529 F530 L533	L486-F506 HydrophobicContact CD2-CD1 4.33Å; L486-F506 HydrophobicContact CD2-CE1 3.85Å; L488-F506 HydrophobicContact CD1-CE1 3.97Å; L488-F506 HydrophobicContact CD1-CZ 3.98Å; W497-F506 AromaticContact CH2-CE2 3.93Å; W497-F506 HydrophobicContact CH2-CE2 3.93Å; W497-F506 HydrophobicContact CH2-CZ 4.42Å; W497-F506 AromaticContact CZ2-CE2 3.81Å; W497-F506 HydrophobicContact CZ2-CE2 3.81Å; W497-F506 HydrophobicContact CZ2-CZ 4.22Å; D504-F506 PolarHBondContact O-N 2.76Å; F506-N508 PolarHBondContact O-N 3.48Å; F506-L509 HydrophobicContact CD1-CD1 3.88Å; F506-L509 PolarHBondContact O-N 3.35Å; F506-L509 VanDerWaalsContact O-N 3.17Å; F506-L515 HydrophobicContact CE1-CD1 3.98Å; F506-L515 HydrophobicContact CE1-CD2 4.34Å; F506-L515 HydrophobicContact CE2-CD2 4.5Å; F506-L515 HydrophobicContact CZ-CD1 4.24Å; F506-L515 HydrophobicContact CZ-CD2 4.18Å; F506-I517 HydrophobicContact CZ-CG2 4.46Å; F506-V529 HydrophobicContact CD2-CG2 4.04Å; F506-V529 WeakPolarHBondContact CD2-O 3.48Å; F506-V529 HydrophobicContact CE2-CG2 4.23Å; F506-F530 HydrophobicContact CD2-CD1 4.01Å; F506-F530 HydrophobicContact CD2-CE1 4.12Å; F506-F530 HydrophobicContact CE2-CD1 4.29Å; F506-F530 AromaticContact CE2-CE1 3.92Å; F506-F530 HydrophobicContact CE2-CE1 3.92Å; F506-L533 HydrophobicContact CB-CD1 4.47Å; F506-L533 HydrophobicContact CB-CD2 3.96Å; F506-L533 HydrophobicContact CB-CG 4.14Å
507	D	90.9	Very high	94.3	Very high	34 Å²	34	40.7 Å²	40.7	18%	0.182	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.7	-165.2	-84.9	-13.2	0	0	0	115.6	D504 R531	D504-D507 HydrophobicContact CB-CB 4.44Å; D504-D507 WeakPolarHBondContact CB-OD2 3.49Å; D504-D507 WeakPolarHBondContact O-CB 3.42Å; D504-D507 PolarHBondContact O-N 2.87Å; D507-R531 WeakPolarHBondContact OD1-CG 3.46Å; D507-R531 IonicContact OD1-CZ 3.71Å; D507-R531 IonicContact OD1-NE 2.76Å; D507-R531 PolarHBondContact OD1-NE 3.15Å; D507-R531 IonicContact OD1-NH2 2.91Å; D507-R531 IonicContact OD2-CZ 2.77Å; D507-R531 IonicContact OD2-NE 3.46Å; D507-R531 IonicContact OD2-NH2 3.19Å; D507-R531 PolarHBondContact OD2-NH2 2.91Å
508	N	90.3	Very high	94.5	Very high	51 Å²	51	40.3 Å²	40.3	27%	0.273	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	11.6	179	-70.1	-41.7	0	0	0	114.1	M477 P478 N481 F506 Q510	M477-N508 HydrophobicContact CB-CB 4.48Å; M477-N508 PolarHBondContact O-ND2 3.05Å; M477-N508 VanDerWaalsContact O-ND2 3.1Å; P478-N508 WeakPolarHBondContact O-CB 3.44Å; N481-N508 PolarHBondContact ND2-O 3.49Å; F506-N508 PolarHBondContact O-N 3.48Å; N508-Q510 VanDerWaalsContact C-N 3.25Å; N508-Q510 PolarHBondContact O-N 2.62Å
509	L	94.3	Very high	94.7	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.219	C	C	.	.			trans	-87.6	56.1	-175.8	-55.3	-174.5	0	0	0	112.6	L450 N481 L483 L486 F506 N511 L512 L533	L450-L509 HydrophobicContact CD1-CD2 4.15Å; N481-L509 WeakPolarHBondContact ND2-CD2 3.11Å; L483-L509 HydrophobicContact CD2-CD1 4.36Å; L483-L509 HydrophobicContact CD2-CD2 4.45Å; L486-L509 HydrophobicContact CD2-CD1 3.97Å; F506-L509 HydrophobicContact CD1-CD1 3.88Å; F506-L509 PolarHBondContact O-N 3.35Å; F506-L509 VanDerWaalsContact O-N 3.17Å; L509-N511 VanDerWaalsContact C-N 3.25Å; L509-N511 PolarHBondContact O-N 3.42Å; L509-L512 HydrophobicContact CB-CB 4.12Å; L509-L512 HydrophobicContact CB-CD2 4.5Å; L509-L512 HydrophobicContact CD1-CD2 4.24Å; L509-L512 VanDerWaalsContact O-CB 3.29Å; L509-L512 WeakPolarHBondContact O-CB 3.29Å; L509-L512 PolarHBondContact O-N 2.99Å; L509-L533 HydrophobicContact CB-CD2 3.71Å
510	Q	93.2	Very high	95	Very high	101 Å²	101	35.4 Å²	35.4	47%	0.472	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.6	-173.2	-63.2	176.1	15.7	0	0	114	N508 T534 S535	N508-Q510 VanDerWaalsContact C-N 3.25Å; N508-Q510 PolarHBondContact O-N 2.62Å; Q510-T534 PolarHBondContact O-OG1 2.94Å; Q510-S535 WeakPolarHBondContact O-CB 3.17Å; Q510-S535 PolarHBondContact O-N 3.26Å; Q510-S535 PolarHBondContact O-OG 3.23Å
511	N	94.8	Very high	95.2	Very high	81 Å²	81	37 Å²	37	43%	0.433	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.6	-179.9	-68.1	-38.7	0	0	0	113.3	N481 L483 L509 I513	N481-N511 PolarHBondContact O-ND2 3.24Å; L483-N511 CarbonylContact O-C 3.24Å; L483-N511 VanDerWaalsContact O-C 3.24Å; L509-N511 VanDerWaalsContact C-N 3.25Å; L509-N511 PolarHBondContact O-N 3.42Å; N511-I513 PolarHBondContact O-N 2.98Å
512	L	97.3	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.			trans	-68.2	128	-175.8	-162.4	73.7	0	0	0	110.1	L483 L486 L509 L515 L533 S535 I536	L483-L512 HydrophobicContact CD2-CD1 3.94Å; L483-L512 HydrophobicContact CG-CD1 3.93Å; L483-L512 WeakPolarHBondContact O-CA 3.37Å; L483-L512 PolarHBondContact O-N 2.99Å; L486-L512 HydrophobicContact CB-CD1 3.74Å; L486-L512 HydrophobicContact CB-CD2 4.25Å; L509-L512 HydrophobicContact CB-CB 4.12Å; L509-L512 HydrophobicContact CB-CD2 4.5Å; L509-L512 HydrophobicContact CD1-CD2 4.24Å; L509-L512 VanDerWaalsContact O-CB 3.29Å; L509-L512 WeakPolarHBondContact O-CB 3.29Å; L509-L512 PolarHBondContact O-N 2.99Å; L512-L515 HydrophobicContact CD2-CB 4.08Å; L512-L515 HydrophobicContact CD2-CD1 4.33Å; L512-L533 HydrophobicContact CB-CD2 4.21Å; L512-L533 HydrophobicContact CD2-CD1 4.49Å; L512-L533 HydrophobicContact CD2-CD2 3.78Å; L512-S535 CarbonylContact O-C 3.19Å; L512-I536 HydrophobicContact CB-CD1 4.44Å; L512-I536 HydrophobicContact CD2-CD1 4.05Å; L512-I536 HydrophobicContact CG-CD1 4.08Å; L512-I536 WeakPolarHBondContact O-CA 3.35Å; L512-I536 PolarHBondContact O-N 2.87Å; L512-I536 VanDerWaalsContact O-N 3.1Å
513	I	98	Very high	95.5	Very high	66 Å²	66	37.5 Å²	37.5	34%	0.338	20%	0.199	S	C	.	.			trans	-106.2	-39.9	179.9	-61.6	-176.9	0	0	0	110.5	V484 N511 I536 R537 N538	V484-I513 HydrophobicContact CG1-CB 4Å; V484-I513 HydrophobicContact CG1-CD1 3.74Å; V484-I513 HydrophobicContact CG1-CG1 3.91Å; V484-I513 PolarHBondContact O-N 3.05Å; N511-I513 PolarHBondContact O-N 2.98Å; I513-I536 WeakPolarHBondContact O-CD1 3.37Å; I513-R537 HydrophobicContact CG2-CB 3.98Å; I513-R537 HydrophobicContact CG2-CG 4.03Å; I513-R537 PolarHBondContact O-N 3.05Å; I513-N538 PolarHBondContact O-N 3.17Å
514	G	98.4	Very high	95.6	Very high	13 Å²	13	37.2 Å²	37.2	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.5	-179.2	0	0	0	0	0	112.4	V484 V485 L486 N538	V484-G514 PolarHBondContact O-N 2.82Å; V484-G514 VanDerWaalsContact O-N 3.12Å; V485-G514 WeakPolarHBondContact CA-O 3.14Å; L486-G514 PolarHBondContact N-O 3.04Å; G514-N538 WeakPolarHBondContact CA-O 3.39Å
515	L	98.6	Very high	95.8	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.9	175.1	177.1	62.5	0	0	0	110.1	L486 F506 L512 I517 F530 L533 I536 N538 I539 D540	L486-L515 HydrophobicContact CB-CD1 4.13Å; L486-L515 HydrophobicContact CD2-CD1 4.13Å; L486-L515 HydrophobicContact CG-CD1 4.09Å; L486-L515 WeakPolarHBondContact O-CA 3.4Å; F506-L515 HydrophobicContact CE1-CD1 3.98Å; F506-L515 HydrophobicContact CE1-CD2 4.34Å; F506-L515 HydrophobicContact CE2-CD2 4.5Å; F506-L515 HydrophobicContact CZ-CD1 4.24Å; F506-L515 HydrophobicContact CZ-CD2 4.18Å; L512-L515 HydrophobicContact CD2-CB 4.08Å; L512-L515 HydrophobicContact CD2-CD1 4.33Å; L515-I517 HydrophobicContact CD1-CG2 4.05Å; L515-I517 HydrophobicContact CD2-CD1 4.33Å; L515-I517 HydrophobicContact CG-CG1 4.48Å; L515-I517 HydrophobicContact CG-CG2 4.21Å; L515-F530 HydrophobicContact CD2-CD1 4.25Å; L515-F530 HydrophobicContact CD2-CE1 3.8Å; L515-L533 HydrophobicContact CD2-CD1 3.91Å; L515-I536 HydrophobicContact CB-CD1 3.9Å; L515-N538 PolarHBondContact N-O 3.03Å; L515-I539 HydrophobicContact CB-CG1 4.31Å; L515-I539 WeakPolarHBondContact O-CA 3.43Å; L515-D540 PolarHBondContact O-N 3.03Å
516	N	98.7	Very high	95.8	Very high	31 Å²	31	36.7 Å²	36.7	17%	0.166	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.9	171.6	-175.6	2.9	0	0	0	109.8	L486 D487 L488 H489 S518	L486-N516 PolarHBondContact O-N 2.81Å; D487-N516 HydrophobicContact CB-CB 4.25Å; D487-N516 PolarHBondContact OD2-ND2 3.44Å; L488-N516 CarbonylContact C-O 3.5Å; L488-N516 WeakPolarHBondContact CA-O 3.32Å; L488-N516 PolarHBondContact N-O 3.19Å; H489-N516 PolarHBondContact N-O 3.31Å; N516-S518 WeakPolarHBondContact OD1-CB 3.35Å; N516-S518 PolarHBondContact OD1-N 3.23Å; N516-S518 VanDerWaalsContact OD1-N 3.1Å; N516-S518 PolarHBondContact OD1-OG 2.97Å
517	I	97.9	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.			trans	-131.7	28	175.6	46.7	173	0	0	0	110.3	L488 L493 F506 L515 N520 F530 D540 L541 N544	L488-I517 HydrophobicContact CB-CG2 3.98Å; L488-I517 HydrophobicContact CD1-CG2 4.25Å; L493-I517 HydrophobicContact CD1-CG2 3.92Å; F506-I517 HydrophobicContact CZ-CG2 4.46Å; L515-I517 HydrophobicContact CD1-CG2 4.05Å; L515-I517 HydrophobicContact CD2-CD1 4.33Å; L515-I517 HydrophobicContact CG-CG1 4.48Å; L515-I517 HydrophobicContact CG-CG2 4.21Å; I517-N520 VanDerWaalsContact C-ND2 3.27Å; I517-N520 PolarHBondContact O-ND2 3.21Å; I517-F530 HydrophobicContact CD1-CE1 3.94Å; I517-F530 HydrophobicContact CD1-CZ 3.6Å; I517-D540 CarbonylContact C-O 3.51Å; I517-D540 WeakPolarHBondContact CG1-O 3.37Å; I517-D540 PolarHBondContact N-O 3.35Å; I517-L541 HydrophobicContact CD1-CD1 4.47Å; I517-L541 HydrophobicContact CD1-CD2 3.32Å; I517-L541 HydrophobicContact CD1-CG 3.81Å; I517-L541 HydrophobicContact CG1-CD2 3.59Å; I517-L541 HydrophobicContact CG1-CG 3.91Å; I517-N544 PolarHBondContact O-ND2 3.23Å
518	S	98.4	Very high	95.6	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.035	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	161.2	173.9	60	0	0	0	0	112.2	H489 D490 N516 N520 D540 S542	H489-S518 CarbonylContact C-O 3.01Å; H489-S518 VanDerWaalsContact CA-O 3.26Å; H489-S518 WeakPolarHBondContact CA-O 3.45Å; H489-S518 WeakPolarHBondContact CB-OG 3.34Å; D490-S518 PolarHBondContact N-O 3.39Å; N516-S518 WeakPolarHBondContact OD1-CB 3.35Å; N516-S518 PolarHBondContact OD1-N 3.23Å; N516-S518 VanDerWaalsContact OD1-N 3.1Å; N516-S518 PolarHBondContact OD1-OG 2.97Å; S518-N520 PolarHBondContact O-N 3.38Å; S518-N520 PolarHBondContact O-ND2 3.07Å; S518-D540 PolarHBondContact N-O 3.4Å; S518-S542 CarbonylContact C-O 3.57Å; S518-S542 WeakPolarHBondContact CA-O 3.17Å; S518-S542 WeakPolarHBondContact CB-O 3.39Å
519	F	97.6	Very high	95.8	Very high	91 Å²	91	43.2 Å²	43.2	40%	0.399	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	21.1	176.3	-64.5	-88.6	0	0	0	115.6	D490 S521 S542 F543	D490-F519 WeakPolarHBondContact CA-O 3.41Å; D490-F519 HydrophobicContact CB-CB 3.81Å; F519-S521 VanDerWaalsContact C-N 3.33Å; F519-S521 PolarHBondContact O-N 3.11Å; F519-S542 PolarHBondContact N-O 3.27Å; F519-S542 VanDerWaalsContact N-O 3.1Å; F519-F543 VanDerWaalsContact CA-O 3.23Å; F519-F543 WeakPolarHBondContact CA-O 3.42Å; F519-F543 HydrophobicContact CD1-CB 3.54Å; F519-F543 HydrophobicContact CD1-CG 4.1Å; F519-F543 HydrophobicContact CD2-CB 3.88Å; F519-F543 HydrophobicContact CD2-CD2 4.31Å; F519-F543 HydrophobicContact CD2-CG 4.31Å; F519-F543 HydrophobicContact CE1-CB 3.41Å; F519-F543 VanDerWaalsContact CE1-CB 3.41Å; F519-F543 AromaticContact CE1-CD1 3.61Å; F519-F543 HydrophobicContact CE1-CD1 3.61Å; F519-F543 HydrophobicContact CE1-CD2 4.03Å; F519-F543 HydrophobicContact CE1-CE1 4.34Å; F519-F543 AromaticContact CE1-CG 3.42Å; F519-F543 HydrophobicContact CE1-CG 3.42Å; F519-F543 VanDerWaalsContact CE1-CG 3.42Å; F519-F543 HydrophobicContact CE2-CB 3.75Å; F519-F543 AromaticContact CE2-CD2 3.43Å; F519-F543 HydrophobicContact CE2-CD2 3.43Å; F519-F543 VanDerWaalsContact CE2-CD2 3.43Å; F519-F543 HydrophobicContact CE2-CE2 4.12Å; F519-F543 AromaticContact CE2-CG 3.66Å; F519-F543 HydrophobicContact CE2-CG 3.66Å; F519-F543 HydrophobicContact CG-CB 3.78Å; F519-F543 HydrophobicContact CZ-CB 3.52Å; F519-F543 AromaticContact CZ-CD1 3.61Å; F519-F543 HydrophobicContact CZ-CD1 3.61Å; F519-F543 AromaticContact CZ-CD2 3.26Å; F519-F543 HydrophobicContact CZ-CD2 3.26Å; F519-F543 HydrophobicContact CZ-CE1 4.07Å; F519-F543 AromaticContact CZ-CE2 3.78Å; F519-F543 HydrophobicContact CZ-CE2 3.78Å; F519-F543 AromaticContact CZ-CG 3.16Å; F519-F543 HydrophobicContact CZ-CG 3.16Å; F519-F543 HydrophobicContact CZ-CZ 4.14Å; F519-F543 PolarHBondContact N-O 3.47Å
520	N	97.8	Very high	95.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-90.8	6.5	-177.5	-85.6	-75.8	0	0	0	114.5	L488 S491 S492 L493 Q494 I517 S518 L522 N544	L488-N520 PolarHBondContact O-ND2 3.17Å; S491-N520 VanDerWaalsContact C-OD1 3.3Å; S491-N520 WeakPolarHBondContact CA-OD1 3.37Å; S491-N520 WeakPolarHBondContact CB-OD1 3.49Å; S491-N520 PolarHBondContact N-OD1 3.31Å; S492-N520 PolarHBondContact N-OD1 3.5Å; L493-N520 HydrophobicContact CB-CB 4.15Å; L493-N520 WeakPolarHBondContact CB-OD1 3.42Å; L493-N520 HydrophobicContact CD1-CB 4.5Å; L493-N520 VanDerWaalsContact CG-OD1 3.22Å; L493-N520 WeakPolarHBondContact CG-OD1 3.39Å; L493-N520 PolarHBondContact N-OD1 3.42Å; Q494-N520 WeakPolarHBondContact CB-O 3.26Å; I517-N520 VanDerWaalsContact C-ND2 3.27Å; I517-N520 PolarHBondContact O-ND2 3.21Å; S518-N520 PolarHBondContact O-N 3.38Å; S518-N520 PolarHBondContact O-ND2 3.07Å; N520-L522 HydrophobicContact CB-CD1 4.05Å; N520-L522 HydrophobicContact CB-CD2 4.2Å; N520-L522 HydrophobicContact CB-CG 3.69Å; N520-L522 PolarHBondContact O-N 2.9Å; N520-N544 WeakPolarHBondContact CA-OD1 3.22Å; N520-N544 PolarHBondContact N-OD1 3.43Å
521	S	96	Very high	95.8	Very high	77 Å²	77	46 Å²	46	54%	0.538	23%	0.233	S	C	.	.			trans	53.7	30.3	-175.8	-58.1	0	0	0	0	113	Q494 F519 M523 N544	Q494-S521 WeakPolarHBondContact CB-O 3.27Å; Q494-S521 WeakPolarHBondContact CG-O 3.19Å; F519-S521 VanDerWaalsContact C-N 3.33Å; F519-S521 PolarHBondContact O-N 3.11Å; S521-M523 PolarHBondContact O-N 2.69Å; S521-N544 PolarHBondContact N-OD1 3.3Å; S521-N544 VanDerWaalsContact N-OD1 3.11Å
522	L	96.7	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.			trans	-68.2	122.9	-175.4	-63.8	172	0	0	0	110.6	L493 Q494 W497 N520 L525 L541 N544 A545 L546	L493-L522 HydrophobicContact CB-CD2 4.15Å; Q494-L522 HydrophobicContact CB-CD2 4.21Å; W497-L522 HydrophobicContact CE3-CD2 3.56Å; W497-L522 HydrophobicContact CZ3-CD1 3.92Å; W497-L522 HydrophobicContact CZ3-CD2 3.78Å; N520-L522 HydrophobicContact CB-CD1 4.05Å; N520-L522 HydrophobicContact CB-CD2 4.2Å; N520-L522 HydrophobicContact CB-CG 3.69Å; N520-L522 PolarHBondContact O-N 2.9Å; L522-L525 HydrophobicContact CD1-CD2 4.26Å; L522-L541 HydrophobicContact CD1-CD2 3.98Å; L522-N544 HydrophobicContact CB-CB 4.13Å; L522-N544 WeakPolarHBondContact CB-OD1 3.47Å; L522-N544 WeakPolarHBondContact CG-OD1 3.43Å; L522-N544 PolarHBondContact N-OD1 3.41Å; L522-A545 CarbonylContact O-C 3.41Å; L522-A545 WeakPolarHBondContact O-CA 3.48Å; L522-A545 PolarHBondContact O-N 3.18Å; L522-L546 HydrophobicContact CB-CD2 4.1Å; L522-L546 PolarHBondContact O-N 3.42Å
523	M	95	Very high	95.5	Very high	111 Å²	111	42.6 Å²	42.6	55%	0.547	22%	0.216	S	C	.	.	S	Bend	trans	-88.9	-32.9	177.1	-66.6	180	177.8	0	0	112.6	S521 A545	S521-M523 PolarHBondContact O-N 2.69Å; M523-A545 WeakPolarHBondContact CA-O 3.32Å; M523-A545 HydrophobicContact CG-CB 4.2Å
524	T	94.3	Very high	95.3	Very high	55 Å²	55	43.3 Å²	43.3	34%	0.337	22%	0.224	S	C	.	.	S	Bend	trans	-146.9	152.6	179.4	56.7	0	0	0	0	109.1	Y548	T524-Y548 HydrophobicContact CG2-CE1 3.69Å
525	L	95.4	Very high	95.2	Very high	24 Å²	24	45.2 Å²	45.2	13%	0.126	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-90.8	132.7	170.3	-62.6	172.3	0	0	0	109.9	L522 F530 L541 L546 L549 V553 F554	L522-L525 HydrophobicContact CD1-CD2 4.26Å; L525-F530 HydrophobicContact CD1-CE2 4.18Å; L525-F530 HydrophobicContact CD2-CE2 4.46Å; L525-F530 HydrophobicContact CD2-CZ 4.41Å; L525-L541 HydrophobicContact CD1-CD1 4.13Å; L525-L541 HydrophobicContact CD2-CD1 4.49Å; L525-L541 HydrophobicContact CD2-CD2 3.99Å; L525-L546 HydrophobicContact CD2-CD2 4.27Å; L525-L546 HydrophobicContact CG-CD2 4Å; L525-L549 HydrophobicContact CD1-CD2 3.82Å; L525-V553 HydrophobicContact CB-CG2 4.03Å; L525-V553 HydrophobicContact CD1-CG1 4.27Å; L525-V553 HydrophobicContact CD1-CG2 3.94Å; L525-F554 HydrophobicContact CD1-CE1 4.28Å; L525-F554 HydrophobicContact CD1-CZ 4.15Å
526	P	94	Very high	95.1	Very high	23 Å²	23	44.9 Å²	44.9	15%	0.149	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-62.2	144.2	173.5	-19.6	30.9	0	0	0	112	W497 L503 E528 V529	W497-P526 HydrophobicContact CB-CG 4.13Å; W497-P526 HydrophobicContact CD2-CG 4.14Å; W497-P526 HydrophobicContact CE3-CG 3.94Å; W497-P526 HydrophobicContact CG-CG 4.25Å; L503-P526 HydrophobicContact CD1-CB 4.46Å; L503-P526 HydrophobicContact CD2-CB 3.91Å; L503-P526 HydrophobicContact CD2-CG 3.75Å; P526-E528 PolarHBondContact O-N 3.5Å; P526-V529 HydrophobicContact CB-CB 4.16Å; P526-V529 HydrophobicContact CB-CG2 4.48Å; P526-V529 HydrophobicContact CG-CB 4.5Å; P526-V529 HydrophobicContact CG-CG2 4.44Å; P526-V529 WeakPolarHBondContact O-CB 3.3Å; P526-V529 WeakPolarHBondContact O-CG1 3.47Å; P526-V529 PolarHBondContact O-N 2.9Å
527	H	90.9	Very high	95.1	Very high	129 Å²	129	50.6 Å²	50.6	60%	0.597	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	129	-179.8	179.4	-88.1	0	0	0	111	V529 E550	H527-V529 PolarHBondContact O-N 2.99Å; H527-E550 IonicContact CD2-OE1 3.51Å; H527-E550 IonicContact CD2-OE2 3.54Å; H527-E550 IonicContact NE2-OE1 2.79Å
528	E	89.3	Confident	95.1	Very high	91 Å²	91	54.2 Å²	54.2	43%	0.425	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	21.1	178.6	-63.6	-77.5	165	0	0	115.2	P526 F530 R531	P526-E528 PolarHBondContact O-N 3.5Å; E528-F530 PolarHBondContact O-N 2.84Å; E528-F530 VanDerWaalsContact O-N 3.14Å; E528-R531 HydrophobicContact CB-CB 4.34Å; E528-R531 WeakPolarHBondContact O-CB 3.19Å; E528-R531 VanDerWaalsContact O-CG 3.27Å; E528-R531 WeakPolarHBondContact O-CG 3.4Å; E528-R531 PolarHBondContact O-N 3.27Å; E528-R531 VanDerWaalsContact O-N 3.13Å; E528-R531 WeakPolarHBondContact OE2-CB 3.34Å
529	V	94.4	Very high	95.1	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27	-178.8	71.6	0	0	0	0	113.3	W497 F506 P526 H527	W497-V529 HydrophobicContact CH2-CG2 4.37Å; W497-V529 HydrophobicContact CZ2-CG2 4.35Å; F506-V529 HydrophobicContact CD2-CG2 4.04Å; F506-V529 WeakPolarHBondContact CD2-O 3.48Å; F506-V529 HydrophobicContact CE2-CG2 4.23Å; P526-V529 HydrophobicContact CB-CB 4.16Å; P526-V529 HydrophobicContact CB-CG2 4.48Å; P526-V529 HydrophobicContact CG-CB 4.5Å; P526-V529 HydrophobicContact CG-CG2 4.44Å; P526-V529 WeakPolarHBondContact O-CB 3.3Å; P526-V529 WeakPolarHBondContact O-CG1 3.47Å; P526-V529 PolarHBondContact O-N 2.9Å; H527-V529 PolarHBondContact O-N 2.99Å
530	F	95.4	Very high	95.1	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	9.1	-179.5	-57.6	-50.7	0	0	0	114.3	F506 L515 I517 L525 E528 G532 L533 V553 F554 P555	F506-F530 HydrophobicContact CD2-CD1 4.01Å; F506-F530 HydrophobicContact CD2-CE1 4.12Å; F506-F530 HydrophobicContact CE2-CD1 4.29Å; F506-F530 AromaticContact CE2-CE1 3.92Å; F506-F530 HydrophobicContact CE2-CE1 3.92Å; L515-F530 HydrophobicContact CD2-CD1 4.25Å; L515-F530 HydrophobicContact CD2-CE1 3.8Å; I517-F530 HydrophobicContact CD1-CE1 3.94Å; I517-F530 HydrophobicContact CD1-CZ 3.6Å; L525-F530 HydrophobicContact CD1-CE2 4.18Å; L525-F530 HydrophobicContact CD2-CE2 4.46Å; L525-F530 HydrophobicContact CD2-CZ 4.41Å; E528-F530 PolarHBondContact O-N 2.84Å; E528-F530 VanDerWaalsContact O-N 3.14Å; F530-G532 PolarHBondContact O-N 3.28Å; F530-G532 VanDerWaalsContact O-N 3.08Å; F530-L533 HydrophobicContact CB-CD1 4.09Å; F530-L533 HydrophobicContact CB-CG 4.46Å; F530-L533 HydrophobicContact CD1-CD1 3.62Å; F530-L533 HydrophobicContact CG-CD1 4.22Å; F530-L533 WeakPolarHBondContact O-CB 3.41Å; F530-L533 PolarHBondContact O-N 3.06Å; F530-V553 HydrophobicContact CD2-CG2 4.48Å; F530-F554 HydrophobicContact CD2-CD1 4.11Å; F530-F554 HydrophobicContact CD2-CE1 4.36Å; F530-F554 HydrophobicContact CE2-CD1 4.17Å; F530-F554 AromaticContact CE2-CE1 3.95Å; F530-F554 HydrophobicContact CE2-CE1 3.95Å; F530-P555 HydrophobicContact CB-CG 3.97Å
531	R	92.1	Very high	95.1	Very high	159 Å²	159	52.2 Å²	52.2	60%	0.6	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-30.9	-173.6	69.5	-174.6	178.3	-176.3	-1.7	114.7	D507 E528 L533	D507-R531 WeakPolarHBondContact OD1-CG 3.46Å; D507-R531 IonicContact OD1-CZ 3.71Å; D507-R531 IonicContact OD1-NE 2.76Å; D507-R531 PolarHBondContact OD1-NE 3.15Å; D507-R531 IonicContact OD1-NH2 2.91Å; D507-R531 IonicContact OD2-CZ 2.77Å; D507-R531 IonicContact OD2-NE 3.46Å; D507-R531 IonicContact OD2-NH2 3.19Å; D507-R531 PolarHBondContact OD2-NH2 2.91Å; E528-R531 HydrophobicContact CB-CB 4.34Å; E528-R531 WeakPolarHBondContact O-CB 3.19Å; E528-R531 VanDerWaalsContact O-CG 3.27Å; E528-R531 WeakPolarHBondContact O-CG 3.4Å; E528-R531 PolarHBondContact O-N 3.27Å; E528-R531 VanDerWaalsContact O-N 3.13Å; E528-R531 WeakPolarHBondContact OE2-CB 3.34Å; R531-L533 VanDerWaalsContact C-N 3.34Å
532	G	90.8	Very high	95.2	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.4	-180	0	0	0	0	0	115	F530 T534	F530-G532 PolarHBondContact O-N 3.28Å; F530-G532 VanDerWaalsContact O-N 3.08Å; G532-T534 PolarHBondContact O-N 3Å; G532-T534 VanDerWaalsContact O-N 3.12Å
533	L	95.6	Very high	95.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.26	C	S	.	.			trans	-89.6	65.2	-170.4	-59.5	-172.5	0	0	0	112.6	F506 L509 L512 L515 F530 R531 S535 I536 P555	F506-L533 HydrophobicContact CB-CD1 4.47Å; F506-L533 HydrophobicContact CB-CD2 3.96Å; F506-L533 HydrophobicContact CB-CG 4.14Å; L509-L533 HydrophobicContact CB-CD2 3.71Å; L512-L533 HydrophobicContact CB-CD2 4.21Å; L512-L533 HydrophobicContact CD2-CD1 4.49Å; L512-L533 HydrophobicContact CD2-CD2 3.78Å; L515-L533 HydrophobicContact CD2-CD1 3.91Å; F530-L533 HydrophobicContact CB-CD1 4.09Å; F530-L533 HydrophobicContact CB-CG 4.46Å; F530-L533 HydrophobicContact CD1-CD1 3.62Å; F530-L533 HydrophobicContact CG-CD1 4.22Å; F530-L533 WeakPolarHBondContact O-CB 3.41Å; F530-L533 PolarHBondContact O-N 3.06Å; R531-L533 VanDerWaalsContact C-N 3.34Å; L533-S535 PolarHBondContact O-N 3.49Å; L533-I536 HydrophobicContact CB-CB 4.05Å; L533-I536 HydrophobicContact CB-CG2 4.11Å; L533-I536 WeakPolarHBondContact O-CG2 3.03Å; L533-P555 HydrophobicContact CB-CG 4.2Å
534	T	94.1	Very high	95.5	Very high	81 Å²	81	48.2 Å²	48.2	50%	0.497	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-27.8	-172.4	56.2	0	0	0	0	114.7	Q510 G532 S557	Q510-T534 PolarHBondContact O-OG1 2.94Å; G532-T534 PolarHBondContact O-N 3Å; G532-T534 VanDerWaalsContact O-N 3.12Å; T534-S557 WeakPolarHBondContact O-CB 3.42Å; T534-S557 PolarHBondContact O-OG 3.41Å
535	S	96.3	Very high	95.6	Very high	52 Å²	52	46.5 Å²	46.5	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	6.6	-179.4	-53.8	0	0	0	0	114.9	Q510 L512 L533 R537	Q510-S535 WeakPolarHBondContact O-CB 3.17Å; Q510-S535 PolarHBondContact O-N 3.26Å; Q510-S535 PolarHBondContact O-OG 3.23Å; L512-S535 CarbonylContact O-C 3.19Å; L533-S535 PolarHBondContact O-N 3.49Å; S535-R537 PolarHBondContact O-N 3Å
536	I	97.4	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.			trans	-61.3	137.7	-174.3	-163.2	73.2	0	0	0	111.1	L512 I513 L515 L533 I539 P555 S557 L558	L512-I536 HydrophobicContact CB-CD1 4.44Å; L512-I536 HydrophobicContact CD2-CD1 4.05Å; L512-I536 HydrophobicContact CG-CD1 4.08Å; L512-I536 WeakPolarHBondContact O-CA 3.35Å; L512-I536 PolarHBondContact O-N 2.87Å; L512-I536 VanDerWaalsContact O-N 3.1Å; I513-I536 WeakPolarHBondContact O-CD1 3.37Å; L515-I536 HydrophobicContact CB-CD1 3.9Å; L533-I536 HydrophobicContact CB-CB 4.05Å; L533-I536 HydrophobicContact CB-CG2 4.11Å; L533-I536 WeakPolarHBondContact O-CG2 3.03Å; I536-I539 HydrophobicContact CD1-CG1 4.32Å; I536-I539 HydrophobicContact CG1-CD1 4.07Å; I536-I539 HydrophobicContact CG1-CG1 3.72Å; I536-P555 HydrophobicContact CG2-CB 3.98Å; I536-P555 HydrophobicContact CG2-CG 3.89Å; I536-S557 CarbonylContact O-C 3.09Å; I536-S557 WeakPolarHBondContact O-CB 3.16Å; I536-S557 PolarHBondContact O-OG 3.11Å; I536-L558 HydrophobicContact CG1-CD1 4.28Å; I536-L558 HydrophobicContact CG2-CB 4.45Å; I536-L558 HydrophobicContact CG2-CD1 4.26Å; I536-L558 WeakPolarHBondContact O-CA 3.39Å; I536-L558 PolarHBondContact O-N 3.24Å
537	R	97.6	Very high	95.6	Very high	151 Å²	151	47.4 Å²	47.4	57%	0.57	23%	0.233	S	C	*	.			trans	-120.8	-32.6	177.4	-63.4	-170.5	-177.8	-158.7	-1.4	112.2	I513 S535 K559 S560	I513-R537 HydrophobicContact CG2-CB 3.98Å; I513-R537 HydrophobicContact CG2-CG 4.03Å; I513-R537 PolarHBondContact O-N 3.05Å; S535-R537 PolarHBondContact O-N 3Å; R537-K559 CarbonylContact O-C 3.04Å; R537-K559 PolarHBondContact O-N 3.03Å; R537-S560 PolarHBondContact O-N 2.78Å
538	N	98.1	Very high	95.7	Very high	76 Å²	76	48.2 Å²	48.2	41%	0.406	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122	-173.2	-60.3	71.8	0	0	0	109.6	I513 G514 L515 S560	I513-N538 PolarHBondContact O-N 3.17Å; G514-N538 WeakPolarHBondContact CA-O 3.39Å; L515-N538 PolarHBondContact N-O 3.03Å; N538-S560 WeakPolarHBondContact CA-O 3.33Å; N538-S560 VanDerWaalsContact ND2-CB 3.32Å; N538-S560 WeakPolarHBondContact ND2-CB 3.43Å
539	I	98.3	Very high	95.9	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.2	169.9	-66.2	176.1	0	0	0	108.7	L515 I536 L541 F554 L558 S560 L561 S562	L515-I539 HydrophobicContact CB-CG1 4.31Å; L515-I539 WeakPolarHBondContact O-CA 3.43Å; I536-I539 HydrophobicContact CD1-CG1 4.32Å; I536-I539 HydrophobicContact CG1-CD1 4.07Å; I536-I539 HydrophobicContact CG1-CG1 3.72Å; I539-L541 HydrophobicContact CG2-CD1 3.91Å; I539-L541 HydrophobicContact CG2-CG 3.87Å; I539-F554 HydrophobicContact CD1-CD1 4.21Å; I539-L558 HydrophobicContact CB-CD1 4Å; I539-L558 HydrophobicContact CD1-CD1 3.8Å; I539-L558 HydrophobicContact CD1-CD2 4.1Å; I539-L558 HydrophobicContact CG1-CD1 3.59Å; I539-S560 PolarHBondContact N-O 2.7Å; I539-L561 HydrophobicContact CB-CD1 4.06Å; I539-L561 HydrophobicContact CG2-CD1 4.07Å; I539-L561 WeakPolarHBondContact O-CA 3.37Å; I539-S562 PolarHBondContact O-N 2.81Å
540	D	98.5	Very high	95.6	Very high	48 Å²	48	48.7 Å²	48.7	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.4	169	-168	-10.2	0	0	0	110.4	L515 I517 S518 S542	L515-D540 PolarHBondContact O-N 3.03Å; I517-D540 CarbonylContact C-O 3.51Å; I517-D540 WeakPolarHBondContact CG1-O 3.37Å; I517-D540 PolarHBondContact N-O 3.35Å; S518-D540 PolarHBondContact N-O 3.4Å; D540-S542 WeakPolarHBondContact OD1-CB 3.27Å; D540-S542 PolarHBondContact OD1-N 2.71Å; D540-S542 PolarHBondContact OD1-OG 3.44Å
541	L	98.2	Very high	95	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.			trans	-117.2	15.2	177.2	-88.9	166.2	0	0	0	111.7	I517 L522 L525 I539 N544 L546 F554 L561 S562 L563 N566	I517-L541 HydrophobicContact CD1-CD1 4.47Å; I517-L541 HydrophobicContact CD1-CD2 3.32Å; I517-L541 HydrophobicContact CD1-CG 3.81Å; I517-L541 HydrophobicContact CG1-CD2 3.59Å; I517-L541 HydrophobicContact CG1-CG 3.91Å; L522-L541 HydrophobicContact CD1-CD2 3.98Å; L525-L541 HydrophobicContact CD1-CD1 4.13Å; L525-L541 HydrophobicContact CD2-CD1 4.49Å; L525-L541 HydrophobicContact CD2-CD2 3.99Å; I539-L541 HydrophobicContact CG2-CD1 3.91Å; I539-L541 HydrophobicContact CG2-CG 3.87Å; L541-N544 PolarHBondContact O-ND2 3.3Å; L541-L546 HydrophobicContact CD2-CD1 4.24Å; L541-F554 HydrophobicContact CD1-CE1 3.61Å; L541-F554 HydrophobicContact CD1-CZ 3.74Å; L541-L561 HydrophobicContact CD1-CD1 4.25Å; L541-S562 CarbonylContact C-O 3.49Å; L541-S562 WeakPolarHBondContact CA-O 2.98Å; L541-S562 WeakPolarHBondContact CB-O 3.06Å; L541-S562 PolarHBondContact N-O 3.12Å; L541-L563 HydrophobicContact CB-CD2 3.85Å; L541-L563 HydrophobicContact CD1-CD2 4.22Å; L541-N566 PolarHBondContact O-ND2 3.34Å
542	S	98	Very high	94.6	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.049	25%	0.254	C	S	.	.			trans	-63.5	158.4	-178.9	62.2	0	0	0	0	112.8	S518 F519 D540 N544 S562 S564	S518-S542 CarbonylContact C-O 3.57Å; S518-S542 WeakPolarHBondContact CA-O 3.17Å; S518-S542 WeakPolarHBondContact CB-O 3.39Å; F519-S542 PolarHBondContact N-O 3.27Å; F519-S542 VanDerWaalsContact N-O 3.1Å; D540-S542 WeakPolarHBondContact OD1-CB 3.27Å; D540-S542 PolarHBondContact OD1-N 2.71Å; D540-S542 PolarHBondContact OD1-OG 3.44Å; S542-N544 VanDerWaalsContact C-N 3.27Å; S542-N544 PolarHBondContact O-N 2.95Å; S542-N544 PolarHBondContact O-ND2 3.21Å; S542-S562 PolarHBondContact N-O 3.46Å; S542-S564 CarbonylContact C-O 3.57Å; S542-S564 WeakPolarHBondContact CA-O 3.33Å; S542-S564 WeakPolarHBondContact CB-O 3.42Å; S542-S564 WeakPolarHBondContact CB-OG 3.49Å
543	F	97.8	Very high	94.6	Very high	89 Å²	89	47.7 Å²	47.7	39%	0.39	25%	0.253	S	S	.	.	S	Bend	trans	54.5	42.2	178	-61.7	-89.7	0	0	0	113.3	F519 S564 N565	F519-F543 VanDerWaalsContact CA-O 3.23Å; F519-F543 WeakPolarHBondContact CA-O 3.42Å; F519-F543 HydrophobicContact CD1-CB 3.54Å; F519-F543 HydrophobicContact CD1-CG 4.1Å; F519-F543 HydrophobicContact CD2-CB 3.88Å; F519-F543 HydrophobicContact CD2-CD2 4.31Å; F519-F543 HydrophobicContact CD2-CG 4.31Å; F519-F543 HydrophobicContact CE1-CB 3.41Å; F519-F543 VanDerWaalsContact CE1-CB 3.41Å; F519-F543 AromaticContact CE1-CD1 3.61Å; F519-F543 HydrophobicContact CE1-CD1 3.61Å; F519-F543 HydrophobicContact CE1-CD2 4.03Å; F519-F543 HydrophobicContact CE1-CE1 4.34Å; F519-F543 AromaticContact CE1-CG 3.42Å; F519-F543 HydrophobicContact CE1-CG 3.42Å; F519-F543 VanDerWaalsContact CE1-CG 3.42Å; F519-F543 HydrophobicContact CE2-CB 3.75Å; F519-F543 AromaticContact CE2-CD2 3.43Å; F519-F543 HydrophobicContact CE2-CD2 3.43Å; F519-F543 VanDerWaalsContact CE2-CD2 3.43Å; F519-F543 HydrophobicContact CE2-CE2 4.12Å; F519-F543 AromaticContact CE2-CG 3.66Å; F519-F543 HydrophobicContact CE2-CG 3.66Å; F519-F543 HydrophobicContact CG-CB 3.78Å; F519-F543 HydrophobicContact CZ-CB 3.52Å; F519-F543 AromaticContact CZ-CD1 3.61Å; F519-F543 HydrophobicContact CZ-CD1 3.61Å; F519-F543 AromaticContact CZ-CD2 3.26Å; F519-F543 HydrophobicContact CZ-CD2 3.26Å; F519-F543 HydrophobicContact CZ-CE1 4.07Å; F519-F543 AromaticContact CZ-CE2 3.78Å; F519-F543 HydrophobicContact CZ-CE2 3.78Å; F519-F543 AromaticContact CZ-CG 3.16Å; F519-F543 HydrophobicContact CZ-CG 3.16Å; F519-F543 HydrophobicContact CZ-CZ 4.14Å; F519-F543 PolarHBondContact N-O 3.47Å; F543-S564 PolarHBondContact N-O 3.37Å; F543-N565 VanDerWaalsContact CA-O 3.27Å; F543-N565 WeakPolarHBondContact CA-O 3.43Å; F543-N565 HydrophobicContact CD1-CB 3.61Å; F543-N565 HydrophobicContact CD2-CB 4.41Å; F543-N565 HydrophobicContact CE1-CB 3.75Å; F543-N565 WeakPolarHBondContact CE1-ND2 3.49Å; F543-N565 HydrophobicContact CG-CB 3.97Å; F543-N565 HydrophobicContact CZ-CB 4.22Å; F543-N565 WeakPolarHBondContact CZ-ND2 3.37Å; F543-N565 PolarHBondContact N-O 2.79Å
544	N	98.4	Very high	94.5	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.043	26%	0.257	C	S	.	.	S	Bend	trans	-109.2	-171	170.6	-82.1	-67.6	0	0	0	109.9	I517 N520 S521 L522 L541 S542 L546 N566	I517-N544 PolarHBondContact O-ND2 3.23Å; N520-N544 WeakPolarHBondContact CA-OD1 3.22Å; N520-N544 PolarHBondContact N-OD1 3.43Å; S521-N544 PolarHBondContact N-OD1 3.3Å; S521-N544 VanDerWaalsContact N-OD1 3.11Å; L522-N544 HydrophobicContact CB-CB 4.13Å; L522-N544 WeakPolarHBondContact CB-OD1 3.47Å; L522-N544 WeakPolarHBondContact CG-OD1 3.43Å; L522-N544 PolarHBondContact N-OD1 3.41Å; L541-N544 PolarHBondContact O-ND2 3.3Å; S542-N544 VanDerWaalsContact C-N 3.27Å; S542-N544 PolarHBondContact O-N 2.95Å; S542-N544 PolarHBondContact O-ND2 3.21Å; N544-L546 HydrophobicContact CB-CG 4.22Å; N544-N566 WeakPolarHBondContact CA-OD1 3.39Å; N544-N566 WeakPolarHBondContact CB-OD1 3.23Å; N544-N566 PolarHBondContact O-OD1 2.88Å
545	A	96.9	Very high	94.5	Very high	20 Å²	20	45.8 Å²	45.8	17%	0.165	24%	0.24	C	C	.	.			trans	-114.9	29.2	179.7	0	0	0	0	0	112.5	L522 M523 T547 F567	L522-A545 CarbonylContact O-C 3.41Å; L522-A545 WeakPolarHBondContact O-CA 3.48Å; L522-A545 PolarHBondContact O-N 3.18Å; M523-A545 WeakPolarHBondContact CA-O 3.32Å; M523-A545 HydrophobicContact CG-CB 4.2Å; A545-T547 PolarHBondContact O-N 2.9Å; A545-F567 VanDerWaalsContact CA-CD2 3.4Å; A545-F567 HydrophobicContact CB-CD2 3.8Å; A545-F567 HydrophobicContact CB-CE2 3.72Å
546	L	96.8	Very high	94.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.			trans	-68.7	130.1	-173.4	-63.3	172.4	0	0	0	110.7	L522 L525 L541 N544 L549 L563 N566 F567 L568	L522-L546 HydrophobicContact CB-CD2 4.1Å; L522-L546 PolarHBondContact O-N 3.42Å; L525-L546 HydrophobicContact CD2-CD2 4.27Å; L525-L546 HydrophobicContact CG-CD2 4Å; L541-L546 HydrophobicContact CD2-CD1 4.24Å; N544-L546 HydrophobicContact CB-CG 4.22Å; L546-L549 HydrophobicContact CD1-CD2 4.25Å; L546-L563 HydrophobicContact CD1-CD2 4.04Å; L546-N566 HydrophobicContact CB-CB 4.42Å; L546-N566 WeakPolarHBondContact CB-OD1 3.04Å; L546-N566 WeakPolarHBondContact CG-OD1 3.39Å; L546-N566 PolarHBondContact N-OD1 3.35Å; L546-N566 VanDerWaalsContact N-OD1 3.09Å; L546-F567 CarbonylContact O-C 3.59Å; L546-F567 VanDerWaalsContact O-CA 3.26Å; L546-F567 WeakPolarHBondContact O-CA 3.32Å; L546-F567 PolarHBondContact O-N 3.26Å; L546-L568 HydrophobicContact CB-CD2 4.26Å; L546-L568 PolarHBondContact O-N 3.21Å
547	T	93.6	Very high	94.2	Very high	65 Å²	65	48.6 Å²	48.6	40%	0.399	27%	0.265	S	S	.	.			trans	-103.7	-32.3	-179.6	50.5	0	0	0	0	113.2	A545 F567	A545-T547 PolarHBondContact O-N 2.9Å; T547-F567 HydrophobicContact CG2-CB 4.14Å
548	Y	92.1	Very high	94.2	Very high	146 Å²	146	41.4 Å²	41.4	57%	0.573	24%	0.238	S	C	*	.			trans	-145	163.2	175.9	73.4	-85	0	0	0	110.8	T524	T524-Y548 HydrophobicContact CG2-CE1 3.69Å
549	L	93.1	Very high	94.1	Very high	18 Å²	18	42 Å²	42	9%	0.094	24%	0.236	C	C	.	.			trans	-128	141.2	175	-63.6	168.8	0	0	0	108.9	L525 L546 F554 L563 L568 T575 F576	L525-L549 HydrophobicContact CD1-CD2 3.82Å; L546-L549 HydrophobicContact CD1-CD2 4.25Å; L549-F554 HydrophobicContact CD1-CE2 4.27Å; L549-F554 HydrophobicContact CD2-CE2 4.41Å; L549-F554 HydrophobicContact CD2-CZ 4.27Å; L549-L563 HydrophobicContact CD1-CD1 3.64Å; L549-L563 HydrophobicContact CD1-CD2 4.31Å; L549-L568 HydrophobicContact CD1-CD1 4.1Å; L549-L568 HydrophobicContact CD1-CD2 4.24Å; L549-L568 HydrophobicContact CG-CD2 3.99Å; L549-T575 HydrophobicContact CB-CG2 4.18Å; L549-T575 HydrophobicContact CD1-CG2 4.26Å; L549-F576 HydrophobicContact CD1-CE1 4.16Å; L549-F576 HydrophobicContact CD1-CZ 4.21Å
550	E	89.9	Confident	94.1	Very high	86 Å²	86	42.8 Å²	42.8	40%	0.402	24%	0.242	S	C	.	.			trans	-77.5	144	173.1	-179.4	174.9	-167.5	0	0	110.6	H527 S552 V553 T575	H527-E550 IonicContact CD2-OE1 3.51Å; H527-E550 IonicContact CD2-OE2 3.54Å; H527-E550 IonicContact NE2-OE1 2.79Å; E550-S552 PolarHBondContact O-N 2.81Å; E550-V553 HydrophobicContact CB-CB 4.27Å; E550-V553 PolarHBondContact O-N 3.37Å; E550-T575 PolarHBondContact O-OG1 3.21Å
551	A	81.1	Confident	94	Very high	40 Å²	40	40.5 Å²	40.5	33%	0.331	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-11.8	-171.9	0	0	0	0	0	115
552	S	83.3	Confident	94	Very high	97 Å²	97	41.3 Å²	41.3	68%	0.678	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.5	26.4	-179.4	-60.5	0	0	0	0	113.6	E550 F554	E550-S552 PolarHBondContact O-N 2.81Å; S552-F554 VanDerWaalsContact C-N 3.28Å; S552-F554 PolarHBondContact O-N 3.49Å
553	V	91.4	Very high	94	Very high	11 Å²	11	41 Å²	41	7%	0.067	23%	0.233	C	C	.	.			trans	-67.4	-27.5	-179.2	71	0	0	0	0	113.4	L525 F530 E550 T575	L525-V553 HydrophobicContact CB-CG2 4.03Å; L525-V553 HydrophobicContact CD1-CG1 4.27Å; L525-V553 HydrophobicContact CD1-CG2 3.94Å; F530-V553 HydrophobicContact CD2-CG2 4.48Å; E550-V553 HydrophobicContact CB-CB 4.27Å; E550-V553 PolarHBondContact O-N 3.37Å; V553-T575 HydrophobicContact CG1-CG2 4.46Å
554	F	94.4	Very high	93.9	Very high	21 Å²	21	37.1 Å²	37.1	9%	0.092	22%	0.217	C	C	.	.	S	Bend	trans	-98.9	141.1	-175.8	-61.8	-61.3	0	0	0	112.9	L525 F530 I539 L541 L549 S552 L558 L561 T575	L525-F554 HydrophobicContact CD1-CE1 4.28Å; L525-F554 HydrophobicContact CD1-CZ 4.15Å; F530-F554 HydrophobicContact CD2-CD1 4.11Å; F530-F554 HydrophobicContact CD2-CE1 4.36Å; F530-F554 HydrophobicContact CE2-CD1 4.17Å; F530-F554 AromaticContact CE2-CE1 3.95Å; F530-F554 HydrophobicContact CE2-CE1 3.95Å; I539-F554 HydrophobicContact CD1-CD1 4.21Å; L541-F554 HydrophobicContact CD1-CE1 3.61Å; L541-F554 HydrophobicContact CD1-CZ 3.74Å; L549-F554 HydrophobicContact CD1-CE2 4.27Å; L549-F554 HydrophobicContact CD2-CE2 4.41Å; L549-F554 HydrophobicContact CD2-CZ 4.27Å; S552-F554 VanDerWaalsContact C-N 3.28Å; S552-F554 PolarHBondContact O-N 3.49Å; F554-L558 HydrophobicContact CB-CD2 3.84Å; F554-L558 HydrophobicContact CD1-CD2 3.96Å; F554-L558 HydrophobicContact CG-CD2 3.89Å; F554-L561 HydrophobicContact CD2-CD2 4Å; F554-L561 HydrophobicContact CE1-CD1 4.11Å; F554-L561 HydrophobicContact CE1-CD2 4.46Å; F554-L561 HydrophobicContact CE2-CD2 3.56Å; F554-L561 HydrophobicContact CZ-CD1 4.04Å; F554-L561 HydrophobicContact CZ-CD2 3.82Å; F554-T575 HydrophobicContact CD2-CG2 3.57Å; F554-T575 HydrophobicContact CE2-CG2 3.66Å
555	P	93.6	Very high	93.8	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.143	23%	0.232	C	C	.	.			trans	-63.2	146.3	174.5	-22.9	34.8	0	0	0	113	F530 L533 I536 S557 L558	F530-P555 HydrophobicContact CB-CG 3.97Å; L533-P555 HydrophobicContact CB-CG 4.2Å; I536-P555 HydrophobicContact CG2-CB 3.98Å; I536-P555 HydrophobicContact CG2-CG 3.89Å; P555-S557 PolarHBondContact O-N 3.45Å; P555-S557 VanDerWaalsContact O-N 3.11Å; P555-L558 VanDerWaalsContact O-CB 3.29Å; P555-L558 WeakPolarHBondContact O-CB 3.18Å; P555-L558 PolarHBondContact O-N 3.39Å; P555-L558 VanDerWaalsContact O-N 3.11Å
556	A	92.8	Very high	93.8	Very high	77 Å²	77	39 Å²	39	64%	0.636	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18	179.6	0	0	0	0	0	114.5	L558	A556-L558 VanDerWaalsContact C-N 3.31Å
557	S	95.6	Very high	93.8	Very high	34 Å²	34	43 Å²	43	24%	0.238	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.2	176.4	44.1	0	0	0	0	113.7	T534 I536 P555	T534-S557 WeakPolarHBondContact O-CB 3.42Å; T534-S557 PolarHBondContact O-OG 3.41Å; I536-S557 CarbonylContact O-C 3.09Å; I536-S557 WeakPolarHBondContact O-CB 3.16Å; I536-S557 PolarHBondContact O-OG 3.11Å; P555-S557 PolarHBondContact O-N 3.45Å; P555-S557 VanDerWaalsContact O-N 3.11Å
558	L	96.8	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.			trans	-59.4	138	-176.2	-169.4	65	0	0	0	111.7	I536 I539 F554 P555 A556 L561 L579	I536-L558 HydrophobicContact CG1-CD1 4.28Å; I536-L558 HydrophobicContact CG2-CB 4.45Å; I536-L558 HydrophobicContact CG2-CD1 4.26Å; I536-L558 WeakPolarHBondContact O-CA 3.39Å; I536-L558 PolarHBondContact O-N 3.24Å; I539-L558 HydrophobicContact CB-CD1 4Å; I539-L558 HydrophobicContact CD1-CD1 3.8Å; I539-L558 HydrophobicContact CD1-CD2 4.1Å; I539-L558 HydrophobicContact CG1-CD1 3.59Å; F554-L558 HydrophobicContact CB-CD2 3.84Å; F554-L558 HydrophobicContact CD1-CD2 3.96Å; F554-L558 HydrophobicContact CG-CD2 3.89Å; P555-L558 VanDerWaalsContact O-CB 3.29Å; P555-L558 WeakPolarHBondContact O-CB 3.18Å; P555-L558 PolarHBondContact O-N 3.39Å; P555-L558 VanDerWaalsContact O-N 3.11Å; A556-L558 VanDerWaalsContact C-N 3.31Å; L558-L561 HydrophobicContact CD2-CB 4.25Å; L558-L561 HydrophobicContact CD2-CD1 4.36Å; L558-L561 HydrophobicContact CD2-CD2 4.49Å; L558-L579 HydrophobicContact CB-CD2 4.18Å; L558-L579 HydrophobicContact CD2-CD2 3.8Å; L558-L579 HydrophobicContact CG-CD2 3.67Å
559	K	96.3	Very high	93.8	Very high	87 Å²	87	35.6 Å²	35.6	38%	0.378	21%	0.212	S	C	.	.			trans	-123.9	-35.9	-179.5	-62.7	-65.7	151.6	-150.1	0	113.3	R537 S578 S580 T581	R537-K559 CarbonylContact O-C 3.04Å; R537-K559 PolarHBondContact O-N 3.03Å; K559-S578 PolarHBondContact NZ-O 2.91Å; K559-S580 WeakPolarHBondContact O-CA 3.26Å; K559-S580 PolarHBondContact O-N 3.49Å; K559-T581 PolarHBondContact O-N 2.73Å
560	S	97.5	Very high	93.7	Very high	22 Å²	22	37.6 Å²	37.6	15%	0.154	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127	179.1	-170.8	0	0	0	0	110	R537 N538 I539 T581	R537-S560 PolarHBondContact O-N 2.78Å; N538-S560 WeakPolarHBondContact CA-O 3.33Å; N538-S560 VanDerWaalsContact ND2-CB 3.32Å; N538-S560 WeakPolarHBondContact ND2-CB 3.43Å; I539-S560 PolarHBondContact N-O 2.7Å; S560-T581 WeakPolarHBondContact CA-O 3.46Å; S560-T581 VanDerWaalsContact CA-OG1 3.23Å; S560-T581 WeakPolarHBondContact CA-OG1 3.36Å; S560-T581 WeakPolarHBondContact CB-OG1 3.12Å; S560-T581 PolarHBondContact OG-OG1 3.06Å
561	L	97.4	Very high	93.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.2	176.7	179.4	60.2	0	0	0	110.2	I539 L541 F554 L558 L563 F576 L579 T581 L582 D583	I539-L561 HydrophobicContact CB-CD1 4.06Å; I539-L561 HydrophobicContact CG2-CD1 4.07Å; I539-L561 WeakPolarHBondContact O-CA 3.37Å; L541-L561 HydrophobicContact CD1-CD1 4.25Å; F554-L561 HydrophobicContact CD2-CD2 4Å; F554-L561 HydrophobicContact CE1-CD1 4.11Å; F554-L561 HydrophobicContact CE1-CD2 4.46Å; F554-L561 HydrophobicContact CE2-CD2 3.56Å; F554-L561 HydrophobicContact CZ-CD1 4.04Å; F554-L561 HydrophobicContact CZ-CD2 3.82Å; L558-L561 HydrophobicContact CD2-CB 4.25Å; L558-L561 HydrophobicContact CD2-CD1 4.36Å; L558-L561 HydrophobicContact CD2-CD2 4.49Å; L561-L563 HydrophobicContact CD1-CG 4.25Å; L561-L563 HydrophobicContact CD2-CD1 3.59Å; L561-L563 HydrophobicContact CD2-CG 4.05Å; L561-L563 HydrophobicContact CG-CD1 4Å; L561-L563 HydrophobicContact CG-CG 3.93Å; L561-F576 HydrophobicContact CD2-CD1 4.35Å; L561-F576 HydrophobicContact CD2-CE1 4.26Å; L561-L579 HydrophobicContact CB-CD1 3.78Å; L561-L579 HydrophobicContact CB-CD2 3.96Å; L561-L579 HydrophobicContact CD2-CD1 3.94Å; L561-T581 PolarHBondContact N-O 3.38Å; L561-L582 HydrophobicContact CB-CD1 4.17Å; L561-L582 HydrophobicContact CD2-CD1 4.29Å; L561-L582 HydrophobicContact CG-CD1 4.27Å; L561-L582 WeakPolarHBondContact O-CA 3.36Å; L561-D583 PolarHBondContact O-N 3.11Å
562	S	97.4	Very high	94.3	Very high	17 Å²	17	35 Å²	35	12%	0.119	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.5	168.8	-173.4	0	0	0	0	109.9	I539 L541 S542 S564	I539-S562 PolarHBondContact O-N 2.81Å; L541-S562 CarbonylContact C-O 3.49Å; L541-S562 WeakPolarHBondContact CA-O 2.98Å; L541-S562 WeakPolarHBondContact CB-O 3.06Å; L541-S562 PolarHBondContact N-O 3.12Å; S542-S562 PolarHBondContact N-O 3.46Å; S562-S564 PolarHBondContact OG-OG 3.05Å
563	L	97	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.			trans	-124.6	18.4	176.1	-77.1	166.2	0	0	0	110.9	L541 L546 L549 L561 N566 L568 F576 L582 D583 L584 N587	L541-L563 HydrophobicContact CB-CD2 3.85Å; L541-L563 HydrophobicContact CD1-CD2 4.22Å; L546-L563 HydrophobicContact CD1-CD2 4.04Å; L549-L563 HydrophobicContact CD1-CD1 3.64Å; L549-L563 HydrophobicContact CD1-CD2 4.31Å; L561-L563 HydrophobicContact CD1-CG 4.25Å; L561-L563 HydrophobicContact CD2-CD1 3.59Å; L561-L563 HydrophobicContact CD2-CG 4.05Å; L561-L563 HydrophobicContact CG-CD1 4Å; L561-L563 HydrophobicContact CG-CG 3.93Å; L563-N566 PolarHBondContact O-ND2 3.45Å; L563-L568 HydrophobicContact CB-CD1 4.27Å; L563-L568 HydrophobicContact CD1-CD1 4.11Å; L563-L568 HydrophobicContact CD2-CD1 4.48Å; L563-F576 HydrophobicContact CD1-CE1 3.77Å; L563-F576 HydrophobicContact CD1-CZ 4.23Å; L563-L582 HydrophobicContact CD1-CD1 4.4Å; L563-D583 CarbonylContact C-O 3.55Å; L563-D583 WeakPolarHBondContact CA-O 3.35Å; L563-D583 PolarHBondContact N-O 2.9Å; L563-L584 HydrophobicContact CB-CD2 3.9Å; L563-L584 HydrophobicContact CD1-CD2 4.04Å; L563-N587 PolarHBondContact O-ND2 2.8Å
564	S	96.5	Very high	94.5	Very high	8 Å²	8	36 Å²	36	6%	0.056	21%	0.207	C	C	.	.			trans	-64.4	151.1	-178.3	47.2	0	0	0	0	112.6	S542 F543 S562 N566 D583 S585	S542-S564 CarbonylContact C-O 3.57Å; S542-S564 WeakPolarHBondContact CA-O 3.33Å; S542-S564 WeakPolarHBondContact CB-O 3.42Å; S542-S564 WeakPolarHBondContact CB-OG 3.49Å; F543-S564 PolarHBondContact N-O 3.37Å; S562-S564 PolarHBondContact OG-OG 3.05Å; S564-N566 PolarHBondContact O-N 3.47Å; S564-N566 PolarHBondContact O-ND2 2.93Å; S564-D583 WeakPolarHBondContact CB-OD2 3.49Å; S564-D583 PolarHBondContact N-O 2.93Å; S564-D583 PolarHBondContact OG-OD2 3.44Å; S564-S585 CarbonylContact C-O 3.6Å; S564-S585 WeakPolarHBondContact CA-O 3.38Å; S564-S585 VanDerWaalsContact CB-O 3.27Å; S564-S585 WeakPolarHBondContact CB-O 3.42Å; S564-S585 WeakPolarHBondContact CB-OG 3.36Å
565	N	96.4	Very high	94.2	Very high	65 Å²	65	35.3 Å²	35.3	35%	0.348	21%	0.205	S	C	.	.	S	Bend	trans	53.8	53.4	-178.9	-56.2	-76.5	0	0	0	112.3	F543 S585	F543-N565 VanDerWaalsContact CA-O 3.27Å; F543-N565 WeakPolarHBondContact CA-O 3.43Å; F543-N565 HydrophobicContact CD1-CB 3.61Å; F543-N565 HydrophobicContact CD2-CB 4.41Å; F543-N565 HydrophobicContact CE1-CB 3.75Å; F543-N565 WeakPolarHBondContact CE1-ND2 3.49Å; F543-N565 HydrophobicContact CG-CB 3.97Å; F543-N565 HydrophobicContact CZ-CB 4.22Å; F543-N565 WeakPolarHBondContact CZ-ND2 3.37Å; F543-N565 PolarHBondContact N-O 2.79Å; N565-S585 PolarHBondContact N-O 3.16Å
566	N	97.4	Very high	94.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	20%	0.198	C	C	.	.	S	Bend	trans	-117.8	-173.1	170	-85.1	-83.3	0	0	0	110.2	L541 N544 L546 L563 S564 L568 N587	L541-N566 PolarHBondContact O-ND2 3.34Å; N544-N566 WeakPolarHBondContact CA-OD1 3.39Å; N544-N566 WeakPolarHBondContact CB-OD1 3.23Å; N544-N566 PolarHBondContact O-OD1 2.88Å; L546-N566 HydrophobicContact CB-CB 4.42Å; L546-N566 WeakPolarHBondContact CB-OD1 3.04Å; L546-N566 WeakPolarHBondContact CG-OD1 3.39Å; L546-N566 PolarHBondContact N-OD1 3.35Å; L546-N566 VanDerWaalsContact N-OD1 3.09Å; L563-N566 PolarHBondContact O-ND2 3.45Å; S564-N566 PolarHBondContact O-N 3.47Å; S564-N566 PolarHBondContact O-ND2 2.93Å; N566-L568 HydrophobicContact CB-CG 4.33Å; N566-N587 WeakPolarHBondContact CA-OD1 3.15Å; N566-N587 WeakPolarHBondContact CB-OD1 3.1Å; N566-N587 WeakPolarHBondContact O-CA 3.23Å; N566-N587 PolarHBondContact O-OD1 3.04Å
567	F	95.9	Very high	93.8	Very high	86 Å²	86	36.6 Å²	36.6	38%	0.377	20%	0.196	S	C	.	.			trans	-111.4	33.1	178.6	-58.8	-66.9	0	0	0	112.1	A545 L546 T547 V569 Q588	A545-F567 VanDerWaalsContact CA-CD2 3.4Å; A545-F567 HydrophobicContact CB-CD2 3.8Å; A545-F567 HydrophobicContact CB-CE2 3.72Å; L546-F567 CarbonylContact O-C 3.59Å; L546-F567 VanDerWaalsContact O-CA 3.26Å; L546-F567 WeakPolarHBondContact O-CA 3.32Å; L546-F567 PolarHBondContact O-N 3.26Å; T547-F567 HydrophobicContact CG2-CB 4.14Å; F567-V569 PolarHBondContact O-N 3.16Å; F567-Q588 VanDerWaalsContact CD1-CD 3.46Å; F567-Q588 HydrophobicContact CD1-CG 4.07Å; F567-Q588 VanDerWaalsContact CD1-NE2 3.34Å; F567-Q588 VanDerWaalsContact CE1-NE2 3.34Å
568	L	94.5	Very high	93.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.191	C	C	.	.			trans	-68	129.9	-178.8	-62.2	173.7	0	0	0	110.6	L546 L549 L563 N566 L584 N587 Q588	L546-L568 HydrophobicContact CB-CD2 4.26Å; L546-L568 PolarHBondContact O-N 3.21Å; L549-L568 HydrophobicContact CD1-CD1 4.1Å; L549-L568 HydrophobicContact CD1-CD2 4.24Å; L549-L568 HydrophobicContact CG-CD2 3.99Å; L563-L568 HydrophobicContact CB-CD1 4.27Å; L563-L568 HydrophobicContact CD1-CD1 4.11Å; L563-L568 HydrophobicContact CD2-CD1 4.48Å; N566-L568 HydrophobicContact CB-CG 4.33Å; L568-L584 HydrophobicContact CD1-CD2 4.12Å; L568-N587 HydrophobicContact CB-CB 4.34Å; L568-N587 VanDerWaalsContact CB-OD1 3.27Å; L568-N587 WeakPolarHBondContact CB-OD1 3.27Å; L568-N587 WeakPolarHBondContact CG-OD1 3.36Å; L568-N587 PolarHBondContact N-OD1 3.5Å; L568-N587 VanDerWaalsContact N-OD1 3.08Å; L568-Q588 CarbonylContact O-C 3.6Å; L568-Q588 PolarHBondContact O-N 3.26Å
569	V	92.4	Very high	93.4	Very high	53 Å²	53	36.6 Å²	36.6	32%	0.321	19%	0.194	S	C	.	.	S	Bend	trans	-98.3	-56	-172.8	177.4	0	0	0	0	111.4	F567 F589 H590	F567-V569 PolarHBondContact O-N 3.16Å; V569-F589 WeakPolarHBondContact O-CA 3.45Å; V569-H590 HydrophobicContact CG1-CB 3.28Å; V569-H590 PolarHBondContact O-N 2.74Å
570	S	90.1	Very high	93.4	Very high	61 Å²	61	35.3 Å²	35.3	43%	0.427	20%	0.197	S	C	.	.	S	Bend	trans	-146.1	82.2	-178	57.6	0	0	0	0	109.2
571	P	92.1	Very high	93.3	Very high	7 Å²	7	36 Å²	36	5%	0.045	20%	0.2	C	C	.	.			trans	-74.5	140.9	-174.3	29.8	-33.6	0	0	0	111.9	P573 F576 F589 F598	P571-P573 WeakPolarHBondContact O-CD 3.39Å; P571-F576 HydrophobicContact CB-CE2 3.79Å; P571-F576 HydrophobicContact CB-CZ 3.83Å; P571-F576 HydrophobicContact CG-CE2 4.21Å; P571-F589 HydrophobicContact CG-CE1 4.11Å; P571-F598 HydrophobicContact CG-CD1 4.3Å; P571-F598 HydrophobicContact CG-CD2 3.71Å; P571-F598 HydrophobicContact CG-CE1 4.22Å; P571-F598 HydrophobicContact CG-CE2 3.63Å; P571-F598 HydrophobicContact CG-CG 4.06Å; P571-F598 HydrophobicContact CG-CZ 3.9Å; P571-F598 WeakPolarHBondContact O-CD2 3.45Å
572	D	90.9	Very high	93.2	Very high	63 Å²	63	36 Å²	36	34%	0.337	20%	0.2	S	C	.	.			trans	-72	122.4	178.1	-176.2	-14.5	0	0	0	110.8	M574 T575	D572-M574 PolarHBondContact O-N 3.43Å; D572-M574 VanDerWaalsContact O-N 3.16Å; D572-M574 WeakPolarHBondContact OD1-CB 3.36Å; D572-M574 PolarHBondContact OD1-N 2.64Å; D572-T575 WeakPolarHBondContact O-CB 3.44Å; D572-T575 PolarHBondContact O-N 3.4Å; D572-T575 PolarHBondContact O-OG1 3.02Å
573	P	90.4	Very high	93.1	Very high	20 Å²	20	36 Å²	36	13%	0.13	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-50.5	-34.3	173.4	-32.3	39.6	0	0	0	115.2	P571 T575 F576 D597 W601	P571-P573 WeakPolarHBondContact O-CD 3.39Å; P573-T575 PolarHBondContact O-N 2.98Å; P573-F576 PolarHBondContact O-N 3.07Å; P573-D597 HydrophobicContact CG-CB 4.36Å; P573-D597 WeakPolarHBondContact CG-O 3.34Å; P573-W601 HydrophobicContact CB-CB 3.72Å; P573-W601 HydrophobicContact CB-CD2 4.23Å; P573-W601 HydrophobicContact CB-CG 3.61Å; P573-W601 HydrophobicContact CG-CB 3.7Å; P573-W601 HydrophobicContact CG-CG 4.09Å
574	M	88.1	Confident	93	Very high	109 Å²	109	36 Å²	36	54%	0.537	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-64.9	-23.3	-178.8	-68.2	-55.5	-55.3	0	0	112	D572 F576 H577	D572-M574 PolarHBondContact O-N 3.43Å; D572-M574 VanDerWaalsContact O-N 3.16Å; D572-M574 WeakPolarHBondContact OD1-CB 3.36Å; D572-M574 PolarHBondContact OD1-N 2.64Å; M574-F576 PolarHBondContact O-N 2.95Å; M574-H577 PolarHBondContact O-ND1 3.4Å
575	T	89.7	Confident	92.9	Very high	7 Å²	7	37 Å²	37	4%	0.043	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-66.8	-21.3	174.5	-55.2	0	0	0	0	112.6	L549 E550 V553 F554 D572 P573	L549-T575 HydrophobicContact CB-CG2 4.18Å; L549-T575 HydrophobicContact CD1-CG2 4.26Å; E550-T575 PolarHBondContact O-OG1 3.21Å; V553-T575 HydrophobicContact CG1-CG2 4.46Å; F554-T575 HydrophobicContact CD2-CG2 3.57Å; F554-T575 HydrophobicContact CE2-CG2 3.66Å; D572-T575 WeakPolarHBondContact O-CB 3.44Å; D572-T575 PolarHBondContact O-N 3.4Å; D572-T575 PolarHBondContact O-OG1 3.02Å; P573-T575 PolarHBondContact O-N 2.98Å
576	F	91.8	Very high	92.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-110.5	-0.1	-170.8	-51.6	-47.8	0	0	0	115	L549 L561 L563 P571 P573 M574 S578 L579 L582 L584 F598 W601	L549-F576 HydrophobicContact CD1-CE1 4.16Å; L549-F576 HydrophobicContact CD1-CZ 4.21Å; L561-F576 HydrophobicContact CD2-CD1 4.35Å; L561-F576 HydrophobicContact CD2-CE1 4.26Å; L563-F576 HydrophobicContact CD1-CE1 3.77Å; L563-F576 HydrophobicContact CD1-CZ 4.23Å; P571-F576 HydrophobicContact CB-CE2 3.79Å; P571-F576 HydrophobicContact CB-CZ 3.83Å; P571-F576 HydrophobicContact CG-CE2 4.21Å; P573-F576 PolarHBondContact O-N 3.07Å; M574-F576 PolarHBondContact O-N 2.95Å; F576-S578 PolarHBondContact O-N 3.41Å; F576-S578 VanDerWaalsContact O-N 3.11Å; F576-L579 HydrophobicContact CB-CD1 4Å; F576-L579 HydrophobicContact CD1-CD1 3.83Å; F576-L579 HydrophobicContact CG-CD1 4.34Å; F576-L579 WeakPolarHBondContact O-CB 3.37Å; F576-L579 PolarHBondContact O-N 3.18Å; F576-L579 VanDerWaalsContact O-N 3.15Å; F576-L582 HydrophobicContact CB-CD2 4.37Å; F576-L582 HydrophobicContact CD1-CD1 4.34Å; F576-L582 HydrophobicContact CD1-CD2 4.14Å; F576-L582 HydrophobicContact CD2-CD2 4.21Å; F576-L582 HydrophobicContact CE1-CD1 4.4Å; F576-L582 HydrophobicContact CG-CD2 3.98Å; F576-L584 HydrophobicContact CZ-CD2 4.43Å; F576-F598 HydrophobicContact CD2-CE2 4.42Å; F576-F598 HydrophobicContact CE2-CE2 4.02Å; F576-W601 HydrophobicContact CB-CH2 3.87Å; F576-W601 HydrophobicContact CB-CZ2 3.59Å; F576-W601 AromaticContact CD2-CH2 3.89Å; F576-W601 HydrophobicContact CD2-CH2 3.89Å; F576-W601 HydrophobicContact CD2-CZ2 4.24Å; F576-W601 HydrophobicContact CD2-CZ3 4.11Å; F576-W601 HydrophobicContact CG-CH2 4.21Å; F576-W601 HydrophobicContact CG-CZ2 4.36Å
577	H	86.1	Confident	92.6	Very high	127 Å²	127	37 Å²	37	59%	0.588	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.1	-170.6	73.1	-83	0	0	0	115	M574	M574-H577 PolarHBondContact O-ND1 3.4Å
578	S	89.1	Confident	92.4	Very high	19 Å²	19	36 Å²	36	13%	0.133	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.5	-176.9	59.5	0	0	0	0	114.2	K559 F576	K559-S578 PolarHBondContact NZ-O 2.91Å; F576-S578 PolarHBondContact O-N 3.41Å; F576-S578 VanDerWaalsContact O-N 3.11Å
579	L	94.5	Very high	92.4	Very high	14 Å²	14	36 Å²	36	7%	0.073	22%	0.215	C	C	.	.			trans	-80	154.2	-171.1	-60.8	179.3	0	0	0	112.7	L558 L561 F576 L582	L558-L579 HydrophobicContact CB-CD2 4.18Å; L558-L579 HydrophobicContact CD2-CD2 3.8Å; L558-L579 HydrophobicContact CG-CD2 3.67Å; L561-L579 HydrophobicContact CB-CD1 3.78Å; L561-L579 HydrophobicContact CB-CD2 3.96Å; L561-L579 HydrophobicContact CD2-CD1 3.94Å; F576-L579 HydrophobicContact CB-CD1 4Å; F576-L579 HydrophobicContact CD1-CD1 3.83Å; F576-L579 HydrophobicContact CG-CD1 4.34Å; F576-L579 WeakPolarHBondContact O-CB 3.37Å; F576-L579 PolarHBondContact O-N 3.18Å; F576-L579 VanDerWaalsContact O-N 3.15Å; L579-L582 HydrophobicContact CD1-CB 4.45Å; L579-L582 HydrophobicContact CD1-CD1 4.02Å
580	S	95	Very high	92.4	Very high	61 Å²	61	36.3 Å²	36.3	43%	0.427	21%	0.212	S	C	.	.	S	Bend	trans	-109.2	-37.6	170.3	-55.5	0	0	0	0	111	K559 T608	K559-S580 WeakPolarHBondContact O-CA 3.26Å; K559-S580 PolarHBondContact O-N 3.49Å; S580-T608 PolarHBondContact O-N 3.39Å
581	T	96.1	Very high	92.5	Very high	37 Å²	37	33.5 Å²	33.5	23%	0.227	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.4	178.3	49.3	0	0	0	0	111.8	K559 S560 L561 T608	K559-T581 PolarHBondContact O-N 2.73Å; S560-T581 WeakPolarHBondContact CA-O 3.46Å; S560-T581 VanDerWaalsContact CA-OG1 3.23Å; S560-T581 WeakPolarHBondContact CA-OG1 3.36Å; S560-T581 WeakPolarHBondContact CB-OG1 3.12Å; S560-T581 PolarHBondContact OG-OG1 3.06Å; L561-T581 PolarHBondContact N-O 3.38Å; T581-T608 VanDerWaalsContact CA-O 3.22Å; T581-T608 WeakPolarHBondContact CA-O 3.38Å
582	L	95.8	Very high	92.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.3	-178	179.3	60.2	0	0	0	111.7	L561 L563 F576 L579 L584 W601 V607 T608 F609 L610	L561-L582 HydrophobicContact CB-CD1 4.17Å; L561-L582 HydrophobicContact CD2-CD1 4.29Å; L561-L582 HydrophobicContact CG-CD1 4.27Å; L561-L582 WeakPolarHBondContact O-CA 3.36Å; L563-L582 HydrophobicContact CD1-CD1 4.4Å; F576-L582 HydrophobicContact CB-CD2 4.37Å; F576-L582 HydrophobicContact CD1-CD1 4.34Å; F576-L582 HydrophobicContact CD1-CD2 4.14Å; F576-L582 HydrophobicContact CD2-CD2 4.21Å; F576-L582 HydrophobicContact CE1-CD1 4.4Å; F576-L582 HydrophobicContact CG-CD2 3.98Å; L579-L582 HydrophobicContact CD1-CB 4.45Å; L579-L582 HydrophobicContact CD1-CD1 4.02Å; L582-L584 HydrophobicContact CD1-CD2 4.34Å; L582-L584 HydrophobicContact CD1-CG 4.17Å; L582-L584 HydrophobicContact CD2-CD1 3.8Å; L582-L584 HydrophobicContact CD2-CG 4.06Å; L582-L584 HydrophobicContact CG-CD1 4.24Å; L582-L584 HydrophobicContact CG-CG 3.96Å; L582-W601 HydrophobicContact CD2-CH2 3.77Å; L582-W601 HydrophobicContact CD2-CZ3 4.39Å; L582-V607 HydrophobicContact CB-CG1 3.58Å; L582-T608 PolarHBondContact N-O 3.38Å; L582-F609 HydrophobicContact CB-CD1 4.25Å; L582-F609 HydrophobicContact CB-CE1 4.34Å; L582-F609 HydrophobicContact CD2-CE1 3.86Å; L582-F609 HydrophobicContact CG-CD1 4.38Å; L582-F609 HydrophobicContact CG-CE1 4.22Å; L582-F609 WeakPolarHBondContact O-CA 3.11Å; L582-L610 PolarHBondContact O-N 3.03Å
583	D	95.4	Very high	92.2	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.8	169	-173.3	13.5	0	0	0	110.5	L561 L563 S564 S585 L610 S611	L561-D583 PolarHBondContact O-N 3.11Å; L563-D583 CarbonylContact C-O 3.55Å; L563-D583 WeakPolarHBondContact CA-O 3.35Å; L563-D583 PolarHBondContact N-O 2.9Å; S564-D583 WeakPolarHBondContact CB-OD2 3.49Å; S564-D583 PolarHBondContact N-O 2.93Å; S564-D583 PolarHBondContact OG-OD2 3.44Å; D583-S585 WeakPolarHBondContact OD1-CB 3.17Å; D583-S585 PolarHBondContact OD1-N 2.84Å; D583-S585 PolarHBondContact OD1-OG 2.91Å; D583-S585 PolarHBondContact OD2-OG 3.33Å; D583-L610 HydrophobicContact CB-CB 4.01Å; D583-L610 HydrophobicContact CB-CD1 4.05Å; D583-L610 HydrophobicContact CB-CG 4.31Å; D583-S611 PolarHBondContact OD1-OG 2.92Å
584	L	95.1	Very high	92	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.232	C	C	.	.			trans	-121.8	12.4	177.5	-69.5	170.7	0	0	0	112.3	L563 L568 F576 L582 N587 F589 F598 F609 Y616	L563-L584 HydrophobicContact CB-CD2 3.9Å; L563-L584 HydrophobicContact CD1-CD2 4.04Å; L568-L584 HydrophobicContact CD1-CD2 4.12Å; F576-L584 HydrophobicContact CZ-CD2 4.43Å; L582-L584 HydrophobicContact CD1-CD2 4.34Å; L582-L584 HydrophobicContact CD1-CG 4.17Å; L582-L584 HydrophobicContact CD2-CD1 3.8Å; L582-L584 HydrophobicContact CD2-CG 4.06Å; L582-L584 HydrophobicContact CG-CD1 4.24Å; L582-L584 HydrophobicContact CG-CG 3.96Å; L584-N587 PolarHBondContact O-ND2 3.44Å; L584-F589 HydrophobicContact CB-CZ 4.15Å; L584-F598 HydrophobicContact CD1-CE2 4.16Å; L584-F598 HydrophobicContact CD1-CZ 3.67Å; L584-F609 HydrophobicContact CD1-CE1 4.4Å; L584-Y616 HydrophobicContact CB-CE1 4.05Å; L584-Y616 HydrophobicContact CB-CE2 4.46Å; L584-Y616 PolarHBondContact N-OH 3.25Å
585	S	93.9	Very high	92.1	Very high	29 Å²	29	32.8 Å²	32.8	20%	0.203	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	144.5	-177.9	57.4	0	0	0	0	112.2	S564 N565 D583 N587 S611	S564-S585 CarbonylContact C-O 3.6Å; S564-S585 WeakPolarHBondContact CA-O 3.38Å; S564-S585 VanDerWaalsContact CB-O 3.27Å; S564-S585 WeakPolarHBondContact CB-O 3.42Å; S564-S585 WeakPolarHBondContact CB-OG 3.36Å; N565-S585 PolarHBondContact N-O 3.16Å; D583-S585 WeakPolarHBondContact OD1-CB 3.17Å; D583-S585 PolarHBondContact OD1-N 2.84Å; D583-S585 PolarHBondContact OD1-OG 2.91Å; D583-S585 PolarHBondContact OD2-OG 3.33Å; S585-N587 VanDerWaalsContact C-N 3.33Å; S585-N587 PolarHBondContact O-N 3.09Å; S585-S611 WeakPolarHBondContact CB-OG 3.5Å; S585-S611 PolarHBondContact OG-OG 3.09Å
586	G	92.5	Very high	92	Very high	53 Å²	53	34.9 Å²	34.9	55%	0.546	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	20.3	177.1	0	0	0	0	0	116.1
587	N	95.3	Very high	91.9	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.07	24%	0.244	C	C	.	.			trans	-85	162.5	169.4	-81.4	-81.3	0	0	0	112.7	L563 N566 L568 L584 S585 F589	L563-N587 PolarHBondContact O-ND2 2.8Å; N566-N587 WeakPolarHBondContact CA-OD1 3.15Å; N566-N587 WeakPolarHBondContact CB-OD1 3.1Å; N566-N587 WeakPolarHBondContact O-CA 3.23Å; N566-N587 PolarHBondContact O-OD1 3.04Å; L568-N587 HydrophobicContact CB-CB 4.34Å; L568-N587 VanDerWaalsContact CB-OD1 3.27Å; L568-N587 WeakPolarHBondContact CB-OD1 3.27Å; L568-N587 WeakPolarHBondContact CG-OD1 3.36Å; L568-N587 PolarHBondContact N-OD1 3.5Å; L568-N587 VanDerWaalsContact N-OD1 3.08Å; L584-N587 PolarHBondContact O-ND2 3.44Å; S585-N587 VanDerWaalsContact C-N 3.33Å; S585-N587 PolarHBondContact O-N 3.09Å; N587-F589 HydrophobicContact CB-CD2 4.29Å; N587-F589 HydrophobicContact CB-CE1 4.35Å; N587-F589 HydrophobicContact CB-CE2 3.8Å; N587-F589 HydrophobicContact CB-CZ 3.84Å
588	Q	91.8	Very high	92.2	Very high	64 Å²	64	34.1 Å²	34.1	30%	0.299	22%	0.216	S	C	.	.			trans	-103.7	66.5	-176.5	-65.1	-170.2	0.8	0	0	112.4	F567 L568 H590 E619	F567-Q588 VanDerWaalsContact CD1-CD 3.46Å; F567-Q588 HydrophobicContact CD1-CG 4.07Å; F567-Q588 VanDerWaalsContact CD1-NE2 3.34Å; F567-Q588 VanDerWaalsContact CE1-NE2 3.34Å; L568-Q588 CarbonylContact O-C 3.6Å; L568-Q588 PolarHBondContact O-N 3.26Å; Q588-H590 PolarHBondContact O-N 3.04Å; Q588-E619 HydrophobicContact CB-CB 4.03Å; Q588-E619 HydrophobicContact CB-CG 4.02Å; Q588-E619 HydrophobicContact CG-CB 4.44Å; Q588-E619 HydrophobicContact CG-CG 4.04Å
589	F	94.3	Very high	92.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.5	-176.9	-60.6	-74.5	0	0	0	112.3	V569 P571 L584 N587 L595 F598 Y616 E619 F620 L629	V569-F589 WeakPolarHBondContact O-CA 3.45Å; P571-F589 HydrophobicContact CG-CE1 4.11Å; L584-F589 HydrophobicContact CB-CZ 4.15Å; N587-F589 HydrophobicContact CB-CD2 4.29Å; N587-F589 HydrophobicContact CB-CE1 4.35Å; N587-F589 HydrophobicContact CB-CE2 3.8Å; N587-F589 HydrophobicContact CB-CZ 3.84Å; F589-L595 HydrophobicContact CD1-CD1 4.49Å; F589-F598 HydrophobicContact CD1-CE1 4.41Å; F589-F598 AromaticContact CE1-CE1 3.89Å; F589-F598 HydrophobicContact CE1-CE1 3.89Å; F589-F598 HydrophobicContact CE1-CZ 4.29Å; F589-F598 HydrophobicContact CZ-CE1 4.44Å; F589-Y616 HydrophobicContact CE2-CG 4.43Å; F589-E619 PolarHBondContact O-N 2.81Å; F589-F620 PolarHBondContact O-N 3.02Å; F589-L629 HydrophobicContact CB-CD1 4.39Å; F589-L629 HydrophobicContact CB-CD2 3.98Å; F589-L629 HydrophobicContact CD1-CD1 4.23Å; F589-L629 HydrophobicContact CD2-CD1 3.78Å; F589-L629 HydrophobicContact CD2-CG 4.47Å; F589-L629 HydrophobicContact CE1-CD1 4.45Å; F589-L629 HydrophobicContact CE2-CD1 4.02Å; F589-L629 HydrophobicContact CG-CD1 3.88Å; F589-L629 HydrophobicContact CG-CD2 4.35Å; F589-L629 HydrophobicContact CZ-CD1 4.34Å
590	H	93.4	Very high	92	Very high	59 Å²	59	36.9 Å²	36.9	27%	0.273	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.1	172	-174.9	-132.2	0	0	0	109.4	V569 Q588 D592 F620	V569-H590 HydrophobicContact CG1-CB 3.28Å; V569-H590 PolarHBondContact O-N 2.74Å; Q588-H590 PolarHBondContact O-N 3.04Å; H590-D592 IonicContact CE1-OD2 2.56Å; H590-D592 PolarHBondContact CE1-OD2 3.3Å; H590-D592 VanDerWaalsContact ND1-CG 3.3Å; H590-D592 IonicContact ND1-OD1 2.81Å; H590-D592 IonicContact ND1-OD2 2.75Å; H590-D592 PolarHBondContact ND1-OD2 3.37Å; H590-D592 PolarHBondContact O-N 2.87Å; H590-D592 VanDerWaalsContact O-N 3.14Å; H590-F620 CarbonylContact C-O 3.59Å; H590-F620 WeakPolarHBondContact CA-O 3.18Å; H590-F620 HydrophobicContact CB-CB 4.48Å; H590-F620 WeakPolarHBondContact CD2-CB 3.26Å
591	C	92.2	Very high	91.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	21%	0.212	C	C	.	.			trans	-88.4	77.8	-177	-68.9	0	0	0	0	110.5	C618 F620 P621 F624 L629 F632	C591-C618 HydrophobicContact CB-CB 3.83Å; C591-C618 WeakPolarHBondContact CB-SG 3.3Å; C591-C618 VanDerWaalsContact SG-CA 3.54Å; C591-C618 WeakPolarHBondContact SG-CB 3.47Å; C591-C618 CovalentContact SG-SG 2.01Å; C591-C618 PolarHBondContact SG-SG 3.06Å; C591-F620 PolarHBondContact N-O 2.97Å; C591-P621 WeakPolarHBondContact O-CD 3.36Å; C591-F624 HydrophobicContact CB-CB 4.46Å; C591-F624 HydrophobicContact CB-CD2 4.47Å; C591-L629 WeakPolarHBondContact SG-CD2 3.07Å; C591-F632 HydrophobicContact CB-CD1 3.83Å; C591-F632 HydrophobicContact CB-CD2 3.96Å; C591-F632 HydrophobicContact CB-CE1 3.78Å; C591-F632 HydrophobicContact CB-CE2 3.9Å; C591-F632 HydrophobicContact CB-CG 3.93Å; C591-F632 HydrophobicContact CB-CZ 3.82Å; C591-F632 VanDerWaalsContact O-CZ 3.3Å; C591-F632 WeakPolarHBondContact O-CZ 3.43Å
592	D	89	Confident	91.7	Very high	63 Å²	63	34.6 Å²	34.6	34%	0.337	20%	0.204	S	C	.	.	S	Bend	trans	-124.5	-172.1	169.7	68.4	7.7	0	0	0	110.6	H590 G594 L595	H590-D592 IonicContact CE1-OD2 2.56Å; H590-D592 PolarHBondContact CE1-OD2 3.3Å; H590-D592 VanDerWaalsContact ND1-CG 3.3Å; H590-D592 IonicContact ND1-OD1 2.81Å; H590-D592 IonicContact ND1-OD2 2.75Å; H590-D592 PolarHBondContact ND1-OD2 3.37Å; H590-D592 PolarHBondContact O-N 2.87Å; H590-D592 VanDerWaalsContact O-N 3.14Å; D592-G594 PolarHBondContact O-N 3.01Å; D592-G594 WeakPolarHBondContact OD1-CA 3.16Å; D592-G594 PolarHBondContact OD1-N 3.38Å; D592-L595 PolarHBondContact O-N 3.04Å
593	C	85.8	Confident	91.3	Very high	70 Å²	70	39.6 Å²	39.6	47%	0.473	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-60.2	-24.3	176.9	-65.5	0	0	0	0	113.7	L595 E596 C639	C593-L595 PolarHBondContact O-N 3.34Å; C593-E596 WeakPolarHBondContact O-CB 3.32Å; C593-E596 PolarHBondContact O-N 3.48Å; C593-C639 VanDerWaalsContact CA-SG 3.6Å; C593-C639 HydrophobicContact CB-CB 3.69Å; C593-C639 WeakPolarHBondContact CB-SG 3.17Å; C593-C639 WeakPolarHBondContact SG-CB 3.42Å; C593-C639 CovalentContact SG-SG 2.03Å; C593-C639 PolarHBondContact SG-SG 3.33Å
594	G	86.6	Confident	91.1	Very high	52 Å²	52	46.2 Å²	46.2	54%	0.536	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-69.2	-17.3	178.9	0	0	0	0	0	113.3	D592 E596	D592-G594 PolarHBondContact O-N 3.01Å; D592-G594 WeakPolarHBondContact OD1-CA 3.16Å; D592-G594 PolarHBondContact OD1-N 3.38Å; G594-E596 VanDerWaalsContact C-N 3.35Å
595	L	90.6	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-85.9	-6.4	177.5	-157.1	66.8	0	0	0	113.1	F589 D592 C593 D597 F598 L599 L629	F589-L595 HydrophobicContact CD1-CD1 4.49Å; D592-L595 PolarHBondContact O-N 3.04Å; C593-L595 PolarHBondContact O-N 3.34Å; L595-D597 PolarHBondContact O-N 3.36Å; L595-F598 HydrophobicContact CD1-CB 4.05Å; L595-F598 HydrophobicContact CD1-CD1 3.78Å; L595-F598 HydrophobicContact CD1-CG 4.27Å; L595-F598 HydrophobicContact CG-CB 4.43Å; L595-F598 HydrophobicContact CG-CD1 4.27Å; L595-F598 PolarHBondContact O-N 3.46Å; L595-F598 VanDerWaalsContact O-N 3.11Å; L595-L599 HydrophobicContact CB-CD1 4.38Å; L595-L599 HydrophobicContact CD2-CD1 4.29Å; L595-L599 HydrophobicContact CD2-CD2 4.14Å; L595-L599 HydrophobicContact CD2-CG 4.19Å; L595-L599 HydrophobicContact CG-CD1 4.31Å; L595-L599 HydrophobicContact CG-CD2 4.43Å; L595-L599 HydrophobicContact CG-CG 4.04Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.01Å; L595-L629 HydrophobicContact CD2-CD2 3.96Å
596	E	88.4	Confident	90.7	Very high	50 Å²	50	54 Å²	54	23%	0.234	30%	0.303	C	S	.	.	H	α-helix	trans	-54.7	-48.4	-172	176.5	172.3	-176.4	0	0	113.1	C593 G594 F598 L599 K600 M636	C593-E596 WeakPolarHBondContact O-CB 3.32Å; C593-E596 PolarHBondContact O-N 3.48Å; G594-E596 VanDerWaalsContact C-N 3.35Å; E596-F598 VanDerWaalsContact C-N 3.32Å; E596-F598 PolarHBondContact O-N 2.86Å; E596-L599 PolarHBondContact O-N 3.47Å; E596-K600 HydrophobicContact CG-CD 4.31Å; E596-K600 WeakPolarHBondContact O-CG 3.43Å; E596-K600 PolarHBondContact O-N 2.03Å; E596-K600 WeakPolarHBondContact OE1-CE 3.46Å; E596-K600 IonicContact OE1-NZ 2.74Å; E596-K600 PolarHBondContact OE1-NZ 2.65Å; E596-M636 HydrophobicContact CB-CE 3.75Å; E596-M636 HydrophobicContact CB-SD 4.08Å; E596-M636 HydrophobicContact CG-CE 3.6Å
597	D	89.1	Confident	90.7	Very high	110 Å²	110	52.1 Å²	52.1	59%	0.588	28%	0.281	S	S	*	.	H	α-helix	trans	-65.3	-37.8	-179.6	-70.2	-29.7	0	0	0	111.9	P573 L595 W601	P573-D597 HydrophobicContact CG-CB 4.36Å; P573-D597 WeakPolarHBondContact CG-O 3.34Å; L595-D597 PolarHBondContact O-N 3.36Å; D597-W601 WeakPolarHBondContact O-CB 2.89Å; D597-W601 PolarHBondContact O-N 3.31Å
598	F	92	Very high	90.5	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-40.2	176.1	-177	-108.6	0	0	0	112.4	P571 F576 L584 F589 L595 E596 W601 L602 L629	P571-F598 HydrophobicContact CG-CD1 4.3Å; P571-F598 HydrophobicContact CG-CD2 3.71Å; P571-F598 HydrophobicContact CG-CE1 4.22Å; P571-F598 HydrophobicContact CG-CE2 3.63Å; P571-F598 HydrophobicContact CG-CG 4.06Å; P571-F598 HydrophobicContact CG-CZ 3.9Å; P571-F598 WeakPolarHBondContact O-CD2 3.45Å; F576-F598 HydrophobicContact CD2-CE2 4.42Å; F576-F598 HydrophobicContact CE2-CE2 4.02Å; L584-F598 HydrophobicContact CD1-CE2 4.16Å; L584-F598 HydrophobicContact CD1-CZ 3.67Å; F589-F598 HydrophobicContact CD1-CE1 4.41Å; F589-F598 AromaticContact CE1-CE1 3.89Å; F589-F598 HydrophobicContact CE1-CE1 3.89Å; F589-F598 HydrophobicContact CE1-CZ 4.29Å; F589-F598 HydrophobicContact CZ-CE1 4.44Å; L595-F598 HydrophobicContact CD1-CB 4.05Å; L595-F598 HydrophobicContact CD1-CD1 3.78Å; L595-F598 HydrophobicContact CD1-CG 4.27Å; L595-F598 HydrophobicContact CG-CB 4.43Å; L595-F598 HydrophobicContact CG-CD1 4.27Å; L595-F598 PolarHBondContact O-N 3.46Å; L595-F598 VanDerWaalsContact O-N 3.11Å; E596-F598 VanDerWaalsContact C-N 3.32Å; E596-F598 PolarHBondContact O-N 2.86Å; F598-W601 AromaticContact CD2-CE3 3.96Å; F598-W601 HydrophobicContact CD2-CE3 3.96Å; F598-W601 HydrophobicContact CD2-CZ3 4.39Å; F598-W601 AromaticContact CE2-CE3 3.66Å; F598-W601 HydrophobicContact CE2-CE3 3.66Å; F598-W601 AromaticContact CE2-CZ3 3.64Å; F598-W601 HydrophobicContact CE2-CZ3 3.64Å; F598-W601 HydrophobicContact CZ-CE3 4.47Å; F598-W601 HydrophobicContact CZ-CZ3 4.28Å; F598-W601 PolarHBondContact O-N 3.45Å; F598-L602 VanDerWaalsContact O-CB 3.32Å; F598-L602 WeakPolarHBondContact O-CB 3.26Å; F598-L602 PolarHBondContact O-N 3.11Å; F598-L629 HydrophobicContact CE1-CD1 4.21Å
599	L	91.1	Very high	90.5	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-42.5	177	-66.1	168.3	0	0	0	112	L595 E596 W601 L602 N603 L629 F632 H633 M636	L595-L599 HydrophobicContact CB-CD1 4.38Å; L595-L599 HydrophobicContact CD2-CD1 4.29Å; L595-L599 HydrophobicContact CD2-CD2 4.14Å; L595-L599 HydrophobicContact CD2-CG 4.19Å; L595-L599 HydrophobicContact CG-CD1 4.31Å; L595-L599 HydrophobicContact CG-CD2 4.43Å; L595-L599 HydrophobicContact CG-CG 4.04Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.01Å; E596-L599 PolarHBondContact O-N 3.47Å; L599-W601 VanDerWaalsContact C-N 3.3Å; L599-W601 PolarHBondContact O-N 3.26Å; L599-L602 PolarHBondContact O-N 2.91Å; L599-N603 PolarHBondContact O-N 2.76Å; L599-N603 VanDerWaalsContact O-N 3.14Å; L599-L629 HydrophobicContact CD2-CB 3.9Å; L599-L629 WeakPolarHBondContact CD2-O 3.42Å; L599-F632 HydrophobicContact CD1-CD1 3.6Å; L599-F632 HydrophobicContact CD1-CE1 3.97Å; L599-H633 HydrophobicContact CB-CB 4.38Å; L599-H633 HydrophobicContact CD1-CB 4.39Å; L599-M636 HydrophobicContact CD1-CE 4.36Å; L599-M636 HydrophobicContact CD1-SD 4.38Å
600	K	89.6	Confident	90.2	Very high	89 Å²	89	59.6 Å²	59.6	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-58.6	-45.6	173.9	-73.5	173.3	-174.7	163.6	0	110.7	E596 N603 M604	E596-K600 HydrophobicContact CG-CD 4.31Å; E596-K600 WeakPolarHBondContact O-CG 3.43Å; E596-K600 PolarHBondContact O-N 2.03Å; E596-K600 WeakPolarHBondContact OE1-CE 3.46Å; E596-K600 IonicContact OE1-NZ 2.74Å; E596-K600 PolarHBondContact OE1-NZ 2.65Å; K600-N603 PolarHBondContact O-N 2.84Å; K600-M604 WeakPolarHBondContact O-CG 3.42Å; K600-M604 PolarHBondContact O-N 3.27Å
601	W	92	Very high	89.7	Confident	41 Å²	41	57.8 Å²	57.8	16%	0.155	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-46.6	176.3	176.8	84.8	0	0	0	112.6	P573 F576 L582 D597 F598 L599 N603 M604 T605 V607 F609	P573-W601 HydrophobicContact CB-CB 3.72Å; P573-W601 HydrophobicContact CB-CD2 4.23Å; P573-W601 HydrophobicContact CB-CG 3.61Å; P573-W601 HydrophobicContact CG-CB 3.7Å; P573-W601 HydrophobicContact CG-CG 4.09Å; F576-W601 HydrophobicContact CB-CH2 3.87Å; F576-W601 HydrophobicContact CB-CZ2 3.59Å; F576-W601 AromaticContact CD2-CH2 3.89Å; F576-W601 HydrophobicContact CD2-CH2 3.89Å; F576-W601 HydrophobicContact CD2-CZ2 4.24Å; F576-W601 HydrophobicContact CD2-CZ3 4.11Å; F576-W601 HydrophobicContact CG-CH2 4.21Å; F576-W601 HydrophobicContact CG-CZ2 4.36Å; L582-W601 HydrophobicContact CD2-CH2 3.77Å; L582-W601 HydrophobicContact CD2-CZ3 4.39Å; D597-W601 WeakPolarHBondContact O-CB 2.89Å; D597-W601 PolarHBondContact O-N 3.31Å; F598-W601 AromaticContact CD2-CE3 3.96Å; F598-W601 HydrophobicContact CD2-CE3 3.96Å; F598-W601 HydrophobicContact CD2-CZ3 4.39Å; F598-W601 AromaticContact CE2-CE3 3.66Å; F598-W601 HydrophobicContact CE2-CE3 3.66Å; F598-W601 AromaticContact CE2-CZ3 3.64Å; F598-W601 HydrophobicContact CE2-CZ3 3.64Å; F598-W601 HydrophobicContact CZ-CE3 4.47Å; F598-W601 HydrophobicContact CZ-CZ3 4.28Å; F598-W601 PolarHBondContact O-N 3.45Å; L599-W601 VanDerWaalsContact C-N 3.3Å; L599-W601 PolarHBondContact O-N 3.26Å; W601-N603 PolarHBondContact O-N 3.29Å; W601-M604 PolarHBondContact O-N 2.87Å; W601-T605 HydrophobicContact CD2-CG2 4.39Å; W601-T605 HydrophobicContact CE3-CG2 4.4Å; W601-T605 HydrophobicContact CH2-CG2 4.19Å; W601-T605 HydrophobicContact CZ2-CG2 4.19Å; W601-T605 WeakPolarHBondContact CZ2-OG1 3.32Å; W601-T605 HydrophobicContact CZ3-CG2 4.3Å; W601-T605 WeakPolarHBondContact O-CB 3.04Å; W601-T605 WeakPolarHBondContact O-CG2 2.98Å; W601-T605 PolarHBondContact O-N 3.06Å; W601-V607 HydrophobicContact CZ2-CG2 4.08Å; W601-F609 HydrophobicContact CH2-CE1 4.43Å; W601-F609 HydrophobicContact CH2-CZ 4.03Å; W601-F609 HydrophobicContact CZ3-CE1 4.39Å; W601-F609 AromaticContact CZ3-CZ 3.94Å; W601-F609 HydrophobicContact CZ3-CZ 3.94Å
602	L	91.3	Very high	89.4	Confident	10 Å²	10	60.6 Å²	60.6	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-33.4	-179.1	-175.4	64.9	0	0	0	112.4	F598 L599 F609 A613 Y616 L629 L630	F598-L602 VanDerWaalsContact O-CB 3.32Å; F598-L602 WeakPolarHBondContact O-CB 3.26Å; F598-L602 PolarHBondContact O-N 3.11Å; L599-L602 PolarHBondContact O-N 2.91Å; L602-F609 HydrophobicContact CD1-CE1 4Å; L602-F609 HydrophobicContact CD1-CE2 3.84Å; L602-F609 HydrophobicContact CD1-CZ 3.36Å; L602-A613 HydrophobicContact CD1-CB 4.22Å; L602-Y616 HydrophobicContact CD1-CD2 4.36Å; L602-Y616 HydrophobicContact CD1-CE2 4.35Å; L602-Y616 HydrophobicContact CD2-CD2 4.39Å; L602-L629 HydrophobicContact CD2-CB 4.34Å; L602-L629 HydrophobicContact CD2-CD1 4.39Å; L602-L630 HydrophobicContact CD2-CD2 4Å; L602-L630 HydrophobicContact CD2-CG 4.4Å; L602-L630 HydrophobicContact CG-CD2 4.15Å
603	N	88.8	Confident	89	Confident	104 Å²	104	58.3 Å²	58.3	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-78.9	-26	178.7	-164.5	20.3	0	0	0	113.4	L599 K600 W601	L599-N603 PolarHBondContact O-N 2.76Å; L599-N603 VanDerWaalsContact O-N 3.14Å; K600-N603 PolarHBondContact O-N 2.84Å; W601-N603 PolarHBondContact O-N 3.29Å
604	M	89.9	Confident	88.9	Confident	156 Å²	156	61 Å²	61	77%	0.768	33%	0.332	S	S	*	.	H	α-helix	trans	-108.7	-9.5	-173.2	-62.8	-179.5	74.4	0	0	114	K600 W601	K600-M604 WeakPolarHBondContact O-CG 3.42Å; K600-M604 PolarHBondContact O-N 3.27Å; W601-M604 PolarHBondContact O-N 2.87Å
605	T	90.3	Very high	89	Confident	31 Å²	31	64 Å²	64	19%	0.19	33%	0.332	C	S	.	.			trans	-74.4	144.6	-173.1	-170.8	0	0	0	0	112.8	W601 V607 F609	W601-T605 HydrophobicContact CD2-CG2 4.39Å; W601-T605 HydrophobicContact CE3-CG2 4.4Å; W601-T605 HydrophobicContact CH2-CG2 4.19Å; W601-T605 HydrophobicContact CZ2-CG2 4.19Å; W601-T605 WeakPolarHBondContact CZ2-OG1 3.32Å; W601-T605 HydrophobicContact CZ3-CG2 4.3Å; W601-T605 WeakPolarHBondContact O-CB 3.04Å; W601-T605 WeakPolarHBondContact O-CG2 2.98Å; W601-T605 PolarHBondContact O-N 3.06Å; T605-V607 HydrophobicContact CG2-CB 4.46Å; T605-V607 WeakPolarHBondContact OG1-CG2 3.3Å; T605-V607 PolarHBondContact OG1-N 2.82Å; T605-F609 HydrophobicContact CG2-CE2 3.75Å; T605-F609 HydrophobicContact CG2-CZ 3.9Å
606	N	89.9	Confident	89.1	Confident	161 Å²	161	64.2 Å²	64.2	86%	0.861	33%	0.333	S	S	*	.			trans	-93.8	6.5	172.7	-67.5	-16.7	0	0	0	112.5	T608	N606-T608 PolarHBondContact O-N 2.79Å
607	V	92.4	Very high	89.3	Confident	15 Å²	15	66.2 Å²	66.2	9%	0.091	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68.8	130.7	178	176.5	0	0	0	0	109.7	L582 W601 T605 F609	L582-V607 HydrophobicContact CB-CG1 3.58Å; W601-V607 HydrophobicContact CZ2-CG2 4.08Å; T605-V607 HydrophobicContact CG2-CB 4.46Å; T605-V607 WeakPolarHBondContact OG1-CG2 3.3Å; T605-V607 PolarHBondContact OG1-N 2.82Å; V607-F609 WeakPolarHBondContact O-CD2 3.25Å; V607-F609 PolarHBondContact O-N 2.86Å
608	T	92.5	Very high	89.5	Confident	91 Å²	91	61 Å²	61	56%	0.558	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.9	176.7	-59	0	0	0	0	109.8	S580 T581 L582 N606	S580-T608 PolarHBondContact O-N 3.39Å; T581-T608 VanDerWaalsContact CA-O 3.22Å; T581-T608 WeakPolarHBondContact CA-O 3.38Å; L582-T608 PolarHBondContact N-O 3.38Å; N606-T608 PolarHBondContact O-N 2.79Å
609	F	91.6	Very high	89.6	Confident	35 Å²	35	64.1 Å²	64.1	15%	0.154	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.6	177.8	-63.5	-87.8	0	0	0	111.7	L582 L584 W601 L602 T605 V607 S611 A613 Y616	L582-F609 HydrophobicContact CB-CD1 4.25Å; L582-F609 HydrophobicContact CB-CE1 4.34Å; L582-F609 HydrophobicContact CD2-CE1 3.86Å; L582-F609 HydrophobicContact CG-CD1 4.38Å; L582-F609 HydrophobicContact CG-CE1 4.22Å; L582-F609 WeakPolarHBondContact O-CA 3.11Å; L584-F609 HydrophobicContact CD1-CE1 4.4Å; W601-F609 HydrophobicContact CH2-CE1 4.43Å; W601-F609 HydrophobicContact CH2-CZ 4.03Å; W601-F609 HydrophobicContact CZ3-CE1 4.39Å; W601-F609 AromaticContact CZ3-CZ 3.94Å; W601-F609 HydrophobicContact CZ3-CZ 3.94Å; L602-F609 HydrophobicContact CD1-CE1 4Å; L602-F609 HydrophobicContact CD1-CE2 3.84Å; L602-F609 HydrophobicContact CD1-CZ 3.36Å; T605-F609 HydrophobicContact CG2-CE2 3.75Å; T605-F609 HydrophobicContact CG2-CZ 3.9Å; V607-F609 WeakPolarHBondContact O-CD2 3.25Å; V607-F609 PolarHBondContact O-N 2.86Å; F609-S611 VanDerWaalsContact C-N 3.28Å; F609-S611 WeakPolarHBondContact CB-O 3.26Å; F609-S611 PolarHBondContact O-N 3.01Å; F609-A613 HydrophobicContact CD2-CB 4.14Å; F609-A613 HydrophobicContact CE2-CB 4.42Å; F609-Y616 AromaticContact CD1-CE2 3.83Å; F609-Y616 HydrophobicContact CD1-CE2 3.83Å; F609-Y616 AromaticContact CD1-CZ 3.97Å; F609-Y616 WeakPolarHBondContact CD1-OH 3.29Å; F609-Y616 HydrophobicContact CE1-CE2 4.03Å; F609-Y616 HydrophobicContact CG-CE2 4.35Å
610	L	86.8	Confident	89.5	Confident	109 Å²	109	68.8 Å²	68.8	57%	0.571	35%	0.346	S	S	*	.	S	Bend	trans	-67.8	-31.9	176.7	-66.5	-176.4	0	0	0	112	L582 D583	L582-L610 PolarHBondContact O-N 3.03Å; D583-L610 HydrophobicContact CB-CB 4.01Å; D583-L610 HydrophobicContact CB-CD1 4.05Å; D583-L610 HydrophobicContact CB-CG 4.31Å
611	S	84.1	Confident	89.6	Confident	22 Å²	22	66.5 Å²	66.5	15%	0.154	34%	0.34	C	S	.	.	S	Bend	trans	-106.6	138.9	167.7	-55.5	0	0	0	0	108.9	D583 S585 F609 A613 Y616	D583-S611 PolarHBondContact OD1-OG 2.92Å; S585-S611 WeakPolarHBondContact CB-OG 3.5Å; S585-S611 PolarHBondContact OG-OG 3.09Å; F609-S611 VanDerWaalsContact C-N 3.28Å; F609-S611 WeakPolarHBondContact CB-O 3.26Å; F609-S611 PolarHBondContact O-N 3.01Å; S611-A613 PolarHBondContact O-N 3.33Å; S611-Y616 PolarHBondContact O-OH 3.21Å
612	P	84.8	Confident	89.5	Confident	61 Å²	61	68.9 Å²	68.9	40%	0.396	37%	0.369	S	S	.	.			trans	-54.2	132.9	-179.8	-23.4	31.6	0	0	0	111.8	Q614 E615	P612-Q614 PolarHBondContact O-N 2.99Å; P612-E615 HydrophobicContact CB-CG 4.2Å; P612-E615 HydrophobicContact CG-CG 4.39Å; P612-E615 WeakPolarHBondContact O-CB 3.38Å; P612-E615 PolarHBondContact O-N 2.9Å
613	A	82.5	Confident	89.4	Confident	15 Å²	15	72.9 Å²	72.9	12%	0.124	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-58.6	-22.4	-179.1	0	0	0	0	0	113.2	L602 F609 S611 E615 Y616	L602-A613 HydrophobicContact CD1-CB 4.22Å; F609-A613 HydrophobicContact CD2-CB 4.14Å; F609-A613 HydrophobicContact CE2-CB 4.42Å; S611-A613 PolarHBondContact O-N 3.33Å; A613-E615 PolarHBondContact O-N 2.97Å; A613-Y616 HydrophobicContact CB-CD2 4.38Å; A613-Y616 HydrophobicContact CB-CE2 4.23Å; A613-Y616 WeakPolarHBondContact O-CD2 3.28Å; A613-Y616 PolarHBondContact O-N 2.89Å
614	Q	83.7	Confident	89.4	Confident	125 Å²	125	70.9 Å²	70.9	58%	0.584	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14.7	174.5	-59.7	81.8	2	0	0	113.5	P612 R617 L630	P612-Q614 PolarHBondContact O-N 2.99Å; Q614-R617 PolarHBondContact O-NH1 2.91Å; Q614-L630 HydrophobicContact CG-CD1 4.39Å
615	E	87.9	Confident	89.6	Confident	115 Å²	115	68.5 Å²	68.5	54%	0.537	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-88.6	-11.5	179.5	-66.2	-177.5	-174.7	0	0	113.1	P612 A613 R617	P612-E615 HydrophobicContact CB-CG 4.2Å; P612-E615 HydrophobicContact CG-CG 4.39Å; P612-E615 WeakPolarHBondContact O-CB 3.38Å; P612-E615 PolarHBondContact O-N 2.9Å; A613-E615 PolarHBondContact O-N 2.97Å; E615-R617 WeakPolarHBondContact O-CG 3.28Å
616	Y	92	Very high	89.6	Confident	6 Å²	6	72 Å²	72	2%	0.024	39%	0.388	C	S	.	.			trans	-71.6	133.5	175.8	-55.2	-37.4	0	0	0	111	L584 F589 L602 F609 S611 A613 P628 L629	L584-Y616 HydrophobicContact CB-CE1 4.05Å; L584-Y616 HydrophobicContact CB-CE2 4.46Å; L584-Y616 PolarHBondContact N-OH 3.25Å; F589-Y616 HydrophobicContact CE2-CG 4.43Å; L602-Y616 HydrophobicContact CD1-CD2 4.36Å; L602-Y616 HydrophobicContact CD1-CE2 4.35Å; L602-Y616 HydrophobicContact CD2-CD2 4.39Å; F609-Y616 AromaticContact CD1-CE2 3.83Å; F609-Y616 HydrophobicContact CD1-CE2 3.83Å; F609-Y616 AromaticContact CD1-CZ 3.97Å; F609-Y616 WeakPolarHBondContact CD1-OH 3.29Å; F609-Y616 HydrophobicContact CE1-CE2 4.03Å; F609-Y616 HydrophobicContact CG-CE2 4.35Å; S611-Y616 PolarHBondContact O-OH 3.21Å; A613-Y616 HydrophobicContact CB-CD2 4.38Å; A613-Y616 HydrophobicContact CB-CE2 4.23Å; A613-Y616 WeakPolarHBondContact O-CD2 3.28Å; A613-Y616 PolarHBondContact O-N 2.89Å; Y616-P628 WeakPolarHBondContact O-CA 3.25Å; Y616-L629 PolarHBondContact O-N 3.1Å
617	R	92.2	Very high	89.7	Confident	92 Å²	92	65.9 Å²	65.9	35%	0.347	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-128.8	148.5	-171.2	-60.5	-85.8	-177.3	-84.5	-1	110.5	Q614 E615 N626 L627	Q614-R617 PolarHBondContact O-NH1 2.91Å; E615-R617 WeakPolarHBondContact O-CG 3.28Å; R617-N626 WeakPolarHBondContact CD-O 3.4Å; R617-N626 VanDerWaalsContact CD-OD1 3.29Å; R617-N626 WeakPolarHBondContact CD-OD1 3.27Å; R617-L627 CarbonylContact C-O 3.15Å; R617-L627 VanDerWaalsContact CA-O 3.25Å; R617-L627 WeakPolarHBondContact CA-O 3.38Å
618	C	93.4	Very high	89.7	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.007	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.3	166.5	-62.6	0	0	0	0	109.8	C591 F624 N626 L627	C591-C618 HydrophobicContact CB-CB 3.83Å; C591-C618 WeakPolarHBondContact CB-SG 3.3Å; C591-C618 VanDerWaalsContact SG-CA 3.54Å; C591-C618 WeakPolarHBondContact SG-CB 3.47Å; C591-C618 CovalentContact SG-SG 2.01Å; C591-C618 PolarHBondContact SG-SG 3.06Å; C618-F624 HydrophobicContact CB-CB 4.2Å; C618-F624 WeakPolarHBondContact CB-O 3.08Å; C618-N626 PolarHBondContact O-N 3.1Å; C618-L627 HydrophobicContact CB-CB 4.4Å; C618-L627 PolarHBondContact N-O 3.06Å
619	E	93.9	Very high	89.6	Confident	67 Å²	67	62.3 Å²	62.3	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-43.1	170.5	-177	61.3	-160.5	0	0	110.5	Q588 F589 H625	Q588-E619 HydrophobicContact CB-CB 4.03Å; Q588-E619 HydrophobicContact CB-CG 4.02Å; Q588-E619 HydrophobicContact CG-CB 4.44Å; Q588-E619 HydrophobicContact CG-CG 4.04Å; F589-E619 PolarHBondContact O-N 2.81Å; E619-H625 PolarHBondContact O-ND1 3.26Å; E619-H625 IonicContact OE1-CE1 3Å; E619-H625 IonicContact OE1-ND1 2.96Å; E619-H625 IonicContact OE2-CE1 3.22Å; E619-H625 PolarHBondContact OE2-CE1 3.32Å; E619-H625 IonicContact OE2-ND1 2.67Å
620	F	90.1	Very high	89.4	Confident	98 Å²	98	63.3 Å²	63.3	43%	0.43	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.9	-179.3	-62.7	-76.1	0	0	0	110.4	F589 H590 C591	F589-F620 PolarHBondContact O-N 3.02Å; H590-F620 CarbonylContact C-O 3.59Å; H590-F620 WeakPolarHBondContact CA-O 3.18Å; H590-F620 HydrophobicContact CB-CB 4.48Å; H590-F620 WeakPolarHBondContact CD2-CB 3.26Å; C591-F620 PolarHBondContact N-O 2.97Å
621	P	91.7	Very high	89.5	Confident	41 Å²	41	62.8 Å²	62.8	27%	0.266	34%	0.335	S	S	.	.	S	Bend	cis	-68.4	167.1	-14.1	29.8	-36.5	0	0	0	112.1	C591 S623 F624 H625	C591-P621 WeakPolarHBondContact O-CD 3.36Å; P621-S623 PolarHBondContact O-N 3.11Å; P621-F624 HydrophobicContact CG-CD2 3.72Å; P621-F624 HydrophobicContact CG-CE2 4.22Å; P621-F624 PolarHBondContact O-N 2.99Å; P621-H625 PolarHBondContact O-N 3.04Å
622	A	89.4	Confident	89.5	Confident	92 Å²	92	62 Å²	62	76%	0.76	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-55	-25	-175.8	0	0	0	0	0	114.6	F624	A622-F624 VanDerWaalsContact C-N 3.27Å; A622-F624 PolarHBondContact O-N 3.36Å
623	S	89.4	Confident	89.2	Confident	93 Å²	93	62.1 Å²	62.1	65%	0.65	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-66.1	-26.3	175.1	49.1	0	0	0	0	113.9	P621	P621-S623 PolarHBondContact O-N 3.11Å
624	F	89.8	Confident	89	Confident	63 Å²	63	66.6 Å²	66.6	28%	0.276	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-113.6	10.1	-179.4	-55.9	-52.7	0	0	0	112.5	C591 C618 P621 A622 N626 L627 F632 I635	C591-F624 HydrophobicContact CB-CB 4.46Å; C591-F624 HydrophobicContact CB-CD2 4.47Å; C618-F624 HydrophobicContact CB-CB 4.2Å; C618-F624 WeakPolarHBondContact CB-O 3.08Å; P621-F624 HydrophobicContact CG-CD2 3.72Å; P621-F624 HydrophobicContact CG-CE2 4.22Å; P621-F624 PolarHBondContact O-N 2.99Å; A622-F624 VanDerWaalsContact C-N 3.27Å; A622-F624 PolarHBondContact O-N 3.36Å; F624-N626 PolarHBondContact O-N 2.67Å; F624-L627 HydrophobicContact CB-CB 4.5Å; F624-L627 HydrophobicContact CB-CD2 4.34Å; F624-L627 HydrophobicContact CD1-CD2 4.14Å; F624-L627 WeakPolarHBondContact O-CB 3.2Å; F624-L627 PolarHBondContact O-N 2.97Å; F624-F632 HydrophobicContact CD1-CD2 4.48Å; F624-F632 HydrophobicContact CD2-CD2 4.32Å; F624-F632 AromaticContact CD2-CE2 3.83Å; F624-F632 HydrophobicContact CD2-CE2 3.83Å; F624-F632 AromaticContact CE2-CE2 3.79Å; F624-F632 HydrophobicContact CE2-CE2 3.79Å; F624-F632 HydrophobicContact CG-CD2 4.29Å; F624-F632 HydrophobicContact CG-CE2 4.26Å; F624-F632 HydrophobicContact CZ-CE2 4.16Å; F624-I635 HydrophobicContact CE1-CG2 4.5Å
625	H	92.3	Very high	88.8	Confident	105 Å²	105	64.5 Å²	64.5	49%	0.486	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132.7	-177.8	-177.5	73.3	0	0	0	112	E619 P621 L627	E619-H625 PolarHBondContact O-ND1 3.26Å; E619-H625 IonicContact OE1-CE1 3Å; E619-H625 IonicContact OE1-ND1 2.96Å; E619-H625 IonicContact OE2-CE1 3.22Å; E619-H625 PolarHBondContact OE2-CE1 3.32Å; E619-H625 IonicContact OE2-ND1 2.67Å; P621-H625 PolarHBondContact O-N 3.04Å; H625-L627 PolarHBondContact O-N 2.9Å
626	N	91	Very high	88.1	Confident	105 Å²	105	60.8 Å²	60.8	56%	0.561	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	20	-177.6	-161.2	32.5	0	0	0	114.7	R617 C618 F624	R617-N626 WeakPolarHBondContact CD-O 3.4Å; R617-N626 VanDerWaalsContact CD-OD1 3.29Å; R617-N626 WeakPolarHBondContact CD-OD1 3.27Å; C618-N626 PolarHBondContact O-N 3.1Å; F624-N626 PolarHBondContact O-N 2.67Å
627	L	91.7	Very high	86.8	Confident	32 Å²	32	68.8 Å²	68.8	17%	0.168	36%	0.363	C	S	.	.			trans	-82.2	133.6	170.3	-173.4	71	0	0	0	110.3	R617 C618 F624 H625 E631 F632 I635	R617-L627 CarbonylContact C-O 3.15Å; R617-L627 VanDerWaalsContact CA-O 3.25Å; R617-L627 WeakPolarHBondContact CA-O 3.38Å; C618-L627 HydrophobicContact CB-CB 4.4Å; C618-L627 PolarHBondContact N-O 3.06Å; F624-L627 HydrophobicContact CB-CB 4.5Å; F624-L627 HydrophobicContact CB-CD2 4.34Å; F624-L627 HydrophobicContact CD1-CD2 4.14Å; F624-L627 WeakPolarHBondContact O-CB 3.2Å; F624-L627 PolarHBondContact O-N 2.97Å; H625-L627 PolarHBondContact O-N 2.9Å; L627-E631 HydrophobicContact CD1-CB 4.47Å; L627-E631 HydrophobicContact CD1-CG 4.2Å; L627-F632 HydrophobicContact CD2-CB 4Å; L627-F632 HydrophobicContact CD2-CD2 4.26Å; L627-I635 HydrophobicContact CD2-CD1 3.81Å
628	P	92.3	Very high	85.2	Confident	31 Å²	31	69 Å²	69	20%	0.201	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-59.1	136.1	174.1	-20.3	30.9	0	0	0	112.6	Y616 L630 E631 F632	Y616-P628 WeakPolarHBondContact O-CA 3.25Å; P628-L630 VanDerWaalsContact C-N 3.32Å; P628-L630 PolarHBondContact O-N 2.93Å; P628-E631 HydrophobicContact CB-CB 4.17Å; P628-E631 WeakPolarHBondContact CD-OE2 3.4Å; P628-E631 HydrophobicContact CG-CB 4.48Å; P628-E631 WeakPolarHBondContact O-CB 3.36Å; P628-E631 PolarHBondContact O-N 2.65Å; P628-F632 PolarHBondContact O-N 3.47Å
629	L	91.6	Very high	83.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-59	-41.3	-177.5	-68	-170.8	0	0	0	113.1	F589 C591 L595 F598 L599 L602 Y616 E631 F632 H633	F589-L629 HydrophobicContact CB-CD1 4.39Å; F589-L629 HydrophobicContact CB-CD2 3.98Å; F589-L629 HydrophobicContact CD1-CD1 4.23Å; F589-L629 HydrophobicContact CD2-CD1 3.78Å; F589-L629 HydrophobicContact CD2-CG 4.47Å; F589-L629 HydrophobicContact CE1-CD1 4.45Å; F589-L629 HydrophobicContact CE2-CD1 4.02Å; F589-L629 HydrophobicContact CG-CD1 3.88Å; F589-L629 HydrophobicContact CG-CD2 4.35Å; F589-L629 HydrophobicContact CZ-CD1 4.34Å; C591-L629 WeakPolarHBondContact SG-CD2 3.07Å; L595-L629 HydrophobicContact CD2-CD2 3.96Å; F598-L629 HydrophobicContact CE1-CD1 4.21Å; L599-L629 HydrophobicContact CD2-CB 3.9Å; L599-L629 WeakPolarHBondContact CD2-O 3.42Å; L602-L629 HydrophobicContact CD2-CB 4.34Å; L602-L629 HydrophobicContact CD2-CD1 4.39Å; Y616-L629 PolarHBondContact O-N 3.1Å; L629-E631 PolarHBondContact O-N 3.45Å; L629-F632 WeakPolarHBondContact O-CB 3.27Å; L629-F632 PolarHBondContact O-N 3.43Å; L629-H633 PolarHBondContact O-N 2.96Å
630	L	87.5	Confident	82.1	Confident	57 Å²	57	75.4 Å²	75.4	30%	0.298	41%	0.413	S	S	.	.	H	α-helix	trans	-65.9	-24	178.3	-65.8	174.2	0	0	0	112.7	L602 Q614 P628	L602-L630 HydrophobicContact CD2-CD2 4Å; L602-L630 HydrophobicContact CD2-CG 4.4Å; L602-L630 HydrophobicContact CG-CD2 4.15Å; Q614-L630 HydrophobicContact CG-CD1 4.39Å; P628-L630 VanDerWaalsContact C-N 3.32Å; P628-L630 PolarHBondContact O-N 2.93Å
631	E	87.6	Confident	80.2	Confident	97 Å²	97	76.4 Å²	76.4	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-79.7	-39.9	173.3	-170.8	175.1	-179.8	0	0	110.9	L627 P628 L629 H633 T634 I635	L627-E631 HydrophobicContact CD1-CB 4.47Å; L627-E631 HydrophobicContact CD1-CG 4.2Å; P628-E631 HydrophobicContact CB-CB 4.17Å; P628-E631 WeakPolarHBondContact CD-OE2 3.4Å; P628-E631 HydrophobicContact CG-CB 4.48Å; P628-E631 WeakPolarHBondContact O-CB 3.36Å; P628-E631 PolarHBondContact O-N 2.65Å; L629-E631 PolarHBondContact O-N 3.45Å; E631-H633 VanDerWaalsContact C-N 3.26Å; E631-H633 PolarHBondContact O-N 2.87Å; E631-T634 WeakPolarHBondContact O-CB 3.31Å; E631-T634 PolarHBondContact O-N 3.48Å; E631-T634 PolarHBondContact O-OG1 2.94Å; E631-I635 HydrophobicContact CG-CD1 4.34Å
632	F	85.4	Confident	78.5	Confident	7 Å²	7	83.3 Å²	83.3	3%	0.031	45%	0.451	C	S	.	.	H	α-helix	trans	-57.1	-37.5	175.2	178.5	-106.9	0	0	0	112.7	C591 L599 F624 L627 P628 L629 T634 I635 M636	C591-F632 HydrophobicContact CB-CD1 3.83Å; C591-F632 HydrophobicContact CB-CD2 3.96Å; C591-F632 HydrophobicContact CB-CE1 3.78Å; C591-F632 HydrophobicContact CB-CE2 3.9Å; C591-F632 HydrophobicContact CB-CG 3.93Å; C591-F632 HydrophobicContact CB-CZ 3.82Å; C591-F632 VanDerWaalsContact O-CZ 3.3Å; C591-F632 WeakPolarHBondContact O-CZ 3.43Å; L599-F632 HydrophobicContact CD1-CD1 3.6Å; L599-F632 HydrophobicContact CD1-CE1 3.97Å; F624-F632 HydrophobicContact CD1-CD2 4.48Å; F624-F632 HydrophobicContact CD2-CD2 4.32Å; F624-F632 AromaticContact CD2-CE2 3.83Å; F624-F632 HydrophobicContact CD2-CE2 3.83Å; F624-F632 AromaticContact CE2-CE2 3.79Å; F624-F632 HydrophobicContact CE2-CE2 3.79Å; F624-F632 HydrophobicContact CG-CD2 4.29Å; F624-F632 HydrophobicContact CG-CE2 4.26Å; F624-F632 HydrophobicContact CZ-CE2 4.16Å; L627-F632 HydrophobicContact CD2-CB 4Å; L627-F632 HydrophobicContact CD2-CD2 4.26Å; P628-F632 PolarHBondContact O-N 3.47Å; L629-F632 WeakPolarHBondContact O-CB 3.27Å; L629-F632 PolarHBondContact O-N 3.43Å; F632-T634 PolarHBondContact O-N 2.79Å; F632-T634 VanDerWaalsContact O-N 3.07Å; F632-I635 PolarHBondContact O-N 3.41Å; F632-M636 HydrophobicContact CE1-CB 4.36Å; F632-M636 HydrophobicContact CE1-CG 4.49Å; F632-M636 HydrophobicContact CE1-SD 4.03Å; F632-M636 HydrophobicContact CZ-CB 4.36Å; F632-M636 HydrophobicContact CZ-CG 4.48Å; F632-M636 HydrophobicContact CZ-SD 4.5Å; F632-M636 PolarHBondContact O-N 2.57Å
633	H	77.3	Confident	76.9	Confident	62 Å²	62	86.8 Å²	86.8	29%	0.287	45%	0.452	S	S	.	.	H	α-helix	trans	-53.8	-29.1	173.9	-178	63.1	0	0	0	113.6	L599 L629 E631	L599-H633 HydrophobicContact CB-CB 4.38Å; L599-H633 HydrophobicContact CD1-CB 4.39Å; L629-H633 PolarHBondContact O-N 2.96Å; E631-H633 VanDerWaalsContact C-N 3.26Å; E631-H633 PolarHBondContact O-N 2.87Å
634	T	78.5	Confident	75.2	Confident	110 Å²	110	89.2 Å²	89.2	68%	0.675	45%	0.451	S	S	*	.	H	α-helix	trans	-83.8	-19.1	177.9	69.7	0	0	0	0	113.9	E631 F632	E631-T634 WeakPolarHBondContact O-CB 3.31Å; E631-T634 PolarHBondContact O-N 3.48Å; E631-T634 PolarHBondContact O-OG1 2.94Å; F632-T634 PolarHBondContact O-N 2.79Å; F632-T634 VanDerWaalsContact O-N 3.07Å
635	I	79.8	Confident	73.7	Confident	81 Å²	81	92 Å²	92	42%	0.415	47%	0.468	S	S	.	.	H	α-helix	trans	-95.1	-27.7	-177.6	-64.6	158	0	0	0	111.3	F624 L627 E631 F632 E637	F624-I635 HydrophobicContact CE1-CG2 4.5Å; L627-I635 HydrophobicContact CD2-CD1 3.81Å; E631-I635 HydrophobicContact CG-CD1 4.34Å; F632-I635 PolarHBondContact O-N 3.41Å; I635-E637 PolarHBondContact O-N 2.83Å; I635-E637 VanDerWaalsContact O-N 3.07Å
636	M	72.7	Confident	72.2	Confident	36 Å²	36	92.3 Å²	92.3	18%	0.177	47%	0.473	C	S	.	.			trans	-60.8	109.8	179.9	-172	171.6	69.2	0	0	110.8	E596 L599 F632	E596-M636 HydrophobicContact CB-CE 3.75Å; E596-M636 HydrophobicContact CB-SD 4.08Å; E596-M636 HydrophobicContact CG-CE 3.6Å; L599-M636 HydrophobicContact CD1-CE 4.36Å; L599-M636 HydrophobicContact CD1-SD 4.38Å; F632-M636 HydrophobicContact CE1-CB 4.36Å; F632-M636 HydrophobicContact CE1-CG 4.49Å; F632-M636 HydrophobicContact CE1-SD 4.03Å; F632-M636 HydrophobicContact CZ-CB 4.36Å; F632-M636 HydrophobicContact CZ-CG 4.48Å; F632-M636 HydrophobicContact CZ-SD 4.5Å; F632-M636 PolarHBondContact O-N 2.57Å
637	E	64.2	Low	70.8	Confident	175 Å²	175	94 Å²	94	82%	0.818	48%	0.477	S	S	*	.			trans	-64.4	141.8	165.3	-72.7	-179.1	161.4	0	0	108.7	I635 C639	I635-E637 PolarHBondContact O-N 2.83Å; I635-E637 VanDerWaalsContact O-N 3.07Å; E637-C639 PolarHBondContact O-N 3.31Å
638	S	59.3	Low	69.3	Low	95 Å²	95	95.2 Å²	95.2	66%	0.664	49%	0.491	S	S	*	.			trans	-54.8	116.6	-179.3	49.1	0	0	0	0	109.8	E640	S638-E640 PolarHBondContact O-N 2.74Å
639	C	64.3	Low	68.3	Low	47 Å²	47	100.8 Å²	100.8	32%	0.318	51%	0.513	S	S	.	.			trans	-71.8	22.4	179.8	-58.9	0	0	0	0	113.2	C593 E637 D641	C593-C639 VanDerWaalsContact CA-SG 3.6Å; C593-C639 HydrophobicContact CB-CB 3.69Å; C593-C639 WeakPolarHBondContact CB-SG 3.17Å; C593-C639 WeakPolarHBondContact SG-CB 3.42Å; C593-C639 CovalentContact SG-SG 2.03Å; C593-C639 PolarHBondContact SG-SG 3.33Å; E637-C639 PolarHBondContact O-N 3.31Å; C639-D641 PolarHBondContact O-N 2.95Å
640	E	57.8	Low	67.2	Low	157 Å²	157	107.1 Å²	107.1	73%	0.734	54%	0.542	S	S	*	.			trans	-73.7	112.8	172.9	-73.5	-163.6	150.3	0	0	109.4	S638 E642	S638-E640 PolarHBondContact O-N 2.74Å; E640-E642 PolarHBondContact O-N 3.08Å
641	D	51.4	Low	66.7	Low	119 Å²	119	109.4 Å²	109.4	64%	0.636	56%	0.555	S	S	*	*			trans	-21.8	123.3	173	-61.1	-52.8	0	0	0	115.2	C639 E643 K644	C639-D641 PolarHBondContact O-N 2.95Å; D641-E643 PolarHBondContact O-N 2.94Å; D641-K644 PolarHBondContact O-N 3.01Å
642	E	54.6	Low	66.3	Low	186 Å²	186	107.5 Å²	107.5	87%	0.869	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	1.6	172.9	-65.2	-173.1	156	0	0	114.6	E640	E640-E642 PolarHBondContact O-N 3.08Å
643	E	56.1	Low	66.1	Low	164 Å²	164	112 Å²	112	77%	0.766	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-20.6	-176.1	-130	173.3	-170.4	0	0	114.4	D641	D641-E643 PolarHBondContact O-N 2.94Å
644	K	54.8	Low	66.4	Low	144 Å²	144	115.9 Å²	115.9	63%	0.626	60%	0.595	S	S	*	*	S	Bend	trans	-87.4	-28.8	-177.8	-82.8	-179.9	-177.4	161.1	0	114.8	D641 I646 Q647 A648	D641-K644 PolarHBondContact O-N 3.01Å; K644-I646 VanDerWaalsContact C-N 3.33Å; K644-I646 PolarHBondContact O-N 2.89Å; K644-Q647 PolarHBondContact O-N 3.27Å; K644-A648 PolarHBondContact O-N 3.27Å
645	D	57.1	Low	66.6	Low	121 Å²	121	114.6 Å²	114.6	65%	0.647	58%	0.584	S	S	*	*	H	α-helix	trans	-69.4	-29.7	-175.3	-81.4	-19.1	0	0	0	113.4	Q647 F649	D645-Q647 VanDerWaalsContact C-N 3.35Å; D645-Q647 PolarHBondContact O-N 2.97Å; D645-F649 WeakPolarHBondContact O-CB 3.44Å; D645-F649 PolarHBondContact O-N 3.29Å
646	I	62.1	Low	66.6	Low	113 Å²	113	113.9 Å²	113.9	58%	0.579	59%	0.586	S	S	*	*	H	α-helix	trans	-68	-36.1	177.5	-60.3	175.2	0	0	0	111	K644 Q650	K644-I646 VanDerWaalsContact C-N 3.33Å; K644-I646 PolarHBondContact O-N 2.89Å; I646-Q650 WeakPolarHBondContact O-CG 3.25Å; I646-Q650 PolarHBondContact O-N 3.35Å
647	Q	61	Low	67	Low	140 Å²	140	115 Å²	115	65%	0.654	60%	0.597	S	S	*	*	H	α-helix	trans	-76.3	-38.2	179.2	-65.7	-173.6	1.4	0	0	112.1	K644 D645 F649 Q650 L651	K644-Q647 PolarHBondContact O-N 3.27Å; D645-Q647 VanDerWaalsContact C-N 3.35Å; D645-Q647 PolarHBondContact O-N 2.97Å; Q647-F649 VanDerWaalsContact C-N 3.35Å; Q647-Q650 PolarHBondContact O-N 3.09Å; Q647-L651 PolarHBondContact O-N 2.98Å
648	A	60.4	Low	67.9	Low	57 Å²	57	109 Å²	109	47%	0.471	58%	0.577	S	S	.	*	H	α-helix	trans	-64.8	-38.8	175.5	0	0	0	0	0	111.9	K644 L651 A652	K644-A648 PolarHBondContact O-N 3.27Å; A648-L651 PolarHBondContact O-N 3.01Å; A648-A652 VanDerWaalsContact O-CB 3.32Å; A648-A652 WeakPolarHBondContact O-CB 3.5Å; A648-A652 PolarHBondContact O-N 2.95Å
649	F	70.4	Confident	69.1	Low	148 Å²	148	109.2 Å²	109.2	65%	0.649	57%	0.57	S	S	*	*	H	α-helix	trans	-66	-39.5	177.3	-155.7	-96.3	0	0	0	112.4	D645 Q647 A652 L653	D645-F649 WeakPolarHBondContact O-CB 3.44Å; D645-F649 PolarHBondContact O-N 3.29Å; Q647-F649 VanDerWaalsContact C-N 3.35Å; F649-A652 PolarHBondContact O-N 3.37Å; F649-L653 HydrophobicContact CD1-CD1 3.82Å; F649-L653 HydrophobicContact CE1-CD1 3.65Å; F649-L653 WeakPolarHBondContact O-CB 3.33Å; F649-L653 PolarHBondContact O-N 3.17Å
650	Q	69.8	Low	70	Confident	133 Å²	133	112.2 Å²	112.2	62%	0.621	58%	0.582	S	S	*	*	H	α-helix	trans	-66.4	-40.8	175.1	-72.4	-179.5	-1.8	0	0	112.5	I646 Q647 L653 F654	I646-Q650 WeakPolarHBondContact O-CG 3.25Å; I646-Q650 PolarHBondContact O-N 3.35Å; Q647-Q650 PolarHBondContact O-N 3.09Å; Q650-L653 PolarHBondContact O-N 3.03Å; Q650-F654 PolarHBondContact O-N 2.81Å; Q650-F654 VanDerWaalsContact O-N 3.07Å
651	L	75.6	Confident	71.3	Confident	106 Å²	106	109.1 Å²	109.1	56%	0.555	57%	0.574	S	S	*	*	H	α-helix	trans	-67.7	-39.6	176.8	-171.8	67.8	0	0	0	111.7	Q647 A648 F654 I655	Q647-L651 PolarHBondContact O-N 2.98Å; A648-L651 PolarHBondContact O-N 3.01Å; L651-F654 PolarHBondContact O-N 3.15Å; L651-I655 HydrophobicContact CD1-CD1 4.4Å; L651-I655 HydrophobicContact CD2-CD1 4.49Å; L651-I655 HydrophobicContact CG-CD1 3.96Å; L651-I655 WeakPolarHBondContact O-CB 3.31Å; L651-I655 VanDerWaalsContact O-CG1 3.31Å; L651-I655 WeakPolarHBondContact O-CG1 3.11Å; L651-I655 PolarHBondContact O-N 3.07Å
652	A	78.9	Confident	72.7	Confident	56 Å²	56	110.2 Å²	110.2	46%	0.463	57%	0.573	S	S	.	*	H	α-helix	trans	-65.3	-38.1	175.8	0	0	0	0	0	112.4	A648 F649 I655 S656	A648-A652 VanDerWaalsContact O-CB 3.32Å; A648-A652 WeakPolarHBondContact O-CB 3.5Å; A648-A652 PolarHBondContact O-N 2.95Å; F649-A652 PolarHBondContact O-N 3.37Å; A652-I655 PolarHBondContact O-N 3.39Å; A652-S656 VanDerWaalsContact O-CB 3.27Å; A652-S656 WeakPolarHBondContact O-CB 3.49Å; A652-S656 PolarHBondContact O-N 3.26Å; A652-S656 PolarHBondContact O-OG 3.36Å
653	L	81.2	Confident	73.8	Confident	101 Å²	101	104.5 Å²	104.5	53%	0.529	55%	0.554	S	S	.	*	H	α-helix	trans	-65	-38.3	173.2	-110.8	146.3	0	0	0	112.3	F649 Q650 S656 S657	F649-L653 HydrophobicContact CD1-CD1 3.82Å; F649-L653 HydrophobicContact CE1-CD1 3.65Å; F649-L653 WeakPolarHBondContact O-CB 3.33Å; F649-L653 PolarHBondContact O-N 3.17Å; Q650-L653 PolarHBondContact O-N 3.03Å; L653-S656 WeakPolarHBondContact CA-OG 3.22Å; L653-S656 PolarHBondContact O-OG 2.95Å; L653-S656 VanDerWaalsContact O-OG 3.09Å; L653-S657 WeakPolarHBondContact O-CB 3.33Å; L653-S657 PolarHBondContact O-N 2.84Å; L653-S657 VanDerWaalsContact O-N 3.11Å; L653-S657 PolarHBondContact O-OG 3.04Å
654	F	83.5	Confident	74.9	Confident	144 Å²	144	102.6 Å²	102.6	63%	0.632	55%	0.548	S	S	*	.	H	α-helix	trans	-69	-44.4	175.4	-175.3	-99.1	0	0	0	112.3	Q650 L651 S657 A658	Q650-F654 PolarHBondContact O-N 2.81Å; Q650-F654 VanDerWaalsContact O-N 3.07Å; L651-F654 PolarHBondContact O-N 3.15Å; F654-S657 PolarHBondContact O-OG 3.11Å; F654-A658 VanDerWaalsContact O-CB 3.31Å; F654-A658 WeakPolarHBondContact O-CB 3.21Å; F654-A658 PolarHBondContact O-N 2.98Å
655	I	83	Confident	76.1	Confident	84 Å²	84	100 Å²	100	43%	0.431	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-43.2	179.1	-68.4	172.8	0	0	0	110.8	L651 A652 A658 I659	L651-I655 HydrophobicContact CD1-CD1 4.4Å; L651-I655 HydrophobicContact CD2-CD1 4.49Å; L651-I655 HydrophobicContact CG-CD1 3.96Å; L651-I655 WeakPolarHBondContact O-CB 3.31Å; L651-I655 VanDerWaalsContact O-CG1 3.31Å; L651-I655 WeakPolarHBondContact O-CG1 3.11Å; L651-I655 PolarHBondContact O-N 3.07Å; A652-I655 PolarHBondContact O-N 3.39Å; I655-A658 PolarHBondContact O-N 3.45Å; I655-I659 HydrophobicContact CG2-CD1 3.59Å; I655-I659 HydrophobicContact CG2-CG1 4.28Å; I655-I659 WeakPolarHBondContact O-CB 3.48Å; I655-I659 WeakPolarHBondContact O-CG1 3.42Å; I655-I659 PolarHBondContact O-N 3.45Å
656	S	80.1	Confident	76.9	Confident	66 Å²	66	97.8 Å²	97.8	46%	0.462	53%	0.532	S	S	.	.	H	α-helix	trans	-65	-40.7	178.5	57.7	0	0	0	0	112.8	A652 L653 I659 L660	A652-S656 VanDerWaalsContact O-CB 3.27Å; A652-S656 WeakPolarHBondContact O-CB 3.49Å; A652-S656 PolarHBondContact O-N 3.26Å; A652-S656 PolarHBondContact O-OG 3.36Å; L653-S656 WeakPolarHBondContact CA-OG 3.22Å; L653-S656 PolarHBondContact O-OG 2.95Å; L653-S656 VanDerWaalsContact O-OG 3.09Å; S656-I659 PolarHBondContact O-N 3.26Å; S656-L660 WeakPolarHBondContact O-CB 3.26Å; S656-L660 PolarHBondContact O-N 3.23Å
657	S	82.1	Confident	77.5	Confident	58 Å²	58	94.1 Å²	94.1	41%	0.406	52%	0.522	S	S	.	.	H	α-helix	trans	-68	-38.5	175.3	56.1	0	0	0	0	112.6	L653 F654 L660 V661	L653-S657 WeakPolarHBondContact O-CB 3.33Å; L653-S657 PolarHBondContact O-N 2.84Å; L653-S657 VanDerWaalsContact O-N 3.11Å; L653-S657 PolarHBondContact O-OG 3.04Å; F654-S657 PolarHBondContact O-OG 3.11Å; S657-L660 PolarHBondContact O-N 3.22Å; S657-V661 WeakPolarHBondContact O-CG2 3.48Å; S657-V661 PolarHBondContact O-N 3.33Å; S657-V661 VanDerWaalsContact O-N 3.07Å
658	A	82.9	Confident	78.1	Confident	50 Å²	50	89.5 Å²	89.5	41%	0.413	51%	0.512	S	S	.	.	H	α-helix	trans	-65.9	-42.1	174.2	0	0	0	0	0	112.4	F654 I655 V661 F662	F654-A658 VanDerWaalsContact O-CB 3.31Å; F654-A658 WeakPolarHBondContact O-CB 3.21Å; F654-A658 PolarHBondContact O-N 2.98Å; I655-A658 PolarHBondContact O-N 3.45Å; A658-V661 PolarHBondContact O-N 3.33Å; A658-F662 WeakPolarHBondContact O-CB 3.31Å; A658-F662 PolarHBondContact O-N 2.85Å
659	I	84.4	Confident	78.6	Confident	99 Å²	99	91.2 Å²	91.2	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-40.8	175.3	-69.7	168.8	0	0	0	110.6	I655 S656 F662 S663	I655-I659 HydrophobicContact CG2-CD1 3.59Å; I655-I659 HydrophobicContact CG2-CG1 4.28Å; I655-I659 WeakPolarHBondContact O-CB 3.48Å; I655-I659 WeakPolarHBondContact O-CG1 3.42Å; I655-I659 PolarHBondContact O-N 3.45Å; S656-I659 PolarHBondContact O-N 3.26Å; I659-F662 PolarHBondContact O-N 3.34Å; I659-S663 WeakPolarHBondContact O-CB 3.5Å; I659-S663 PolarHBondContact O-N 3.09Å; I659-S663 PolarHBondContact O-OG 2.92Å
660	L	82.6	Confident	78.4	Confident	110 Å²	110	88.1 Å²	88.1	58%	0.576	50%	0.501	S	S	*	.	H	α-helix	trans	-61.9	-46.3	177.7	-170.4	81.1	0	0	0	111.3	S656 S657 S663 L664	S656-L660 WeakPolarHBondContact O-CB 3.26Å; S656-L660 PolarHBondContact O-N 3.23Å; S657-L660 PolarHBondContact O-N 3.22Å; L660-S663 PolarHBondContact O-N 3.16Å; L660-L664 HydrophobicContact CG-CD1 4.21Å; L660-L664 WeakPolarHBondContact O-CB 3.39Å; L660-L664 VanDerWaalsContact O-CG 3.3Å; L660-L664 WeakPolarHBondContact O-CG 3.31Å; L660-L664 PolarHBondContact O-N 3.41Å
661	V	85.3	Confident	78.3	Confident	92 Å²	92	90.1 Å²	90.1	56%	0.558	51%	0.505	S	S	*	.	H	α-helix	trans	-64	-44.9	178.1	174.3	0	0	0	0	110.5	S657 A658 S663 L664 V665	S657-V661 WeakPolarHBondContact O-CG2 3.48Å; S657-V661 PolarHBondContact O-N 3.33Å; S657-V661 VanDerWaalsContact O-N 3.07Å; A658-V661 PolarHBondContact O-N 3.33Å; V661-S663 VanDerWaalsContact C-N 3.34Å; V661-S663 PolarHBondContact O-N 3.49Å; V661-L664 PolarHBondContact O-N 3.11Å; V661-V665 VanDerWaalsContact O-CG2 3.31Å; V661-V665 WeakPolarHBondContact O-CG2 2.96Å; V661-V665 PolarHBondContact O-N 3.4Å
662	F	81.2	Confident	77.7	Confident	143 Å²	143	88.9 Å²	88.9	63%	0.627	51%	0.509	S	S	*	.	H	α-helix	trans	-64.2	-39.9	177.6	-161	-95.4	0	0	0	111.7	A658 I659 V665 L666	A658-F662 WeakPolarHBondContact O-CB 3.31Å; A658-F662 PolarHBondContact O-N 2.85Å; I659-F662 PolarHBondContact O-N 3.34Å; F662-V665 PolarHBondContact O-N 3.33Å; F662-L666 HydrophobicContact CD1-CD2 4.5Å; F662-L666 HydrophobicContact CE1-CD1 4.44Å; F662-L666 HydrophobicContact CE1-CD2 4.13Å; F662-L666 WeakPolarHBondContact O-CB 3.4Å; F662-L666 PolarHBondContact O-N 2.99Å
663	S	76.8	Confident	76.9	Confident	65 Å²	65	96.8 Å²	96.8	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-67.8	-36.4	178.2	-57.9	0	0	0	0	112.5	I659 L660 V661 G667	I659-S663 WeakPolarHBondContact O-CB 3.5Å; I659-S663 PolarHBondContact O-N 3.09Å; I659-S663 PolarHBondContact O-OG 2.92Å; L660-S663 PolarHBondContact O-N 3.16Å; V661-S663 VanDerWaalsContact C-N 3.34Å; V661-S663 PolarHBondContact O-N 3.49Å; S663-G667 WeakPolarHBondContact O-CA 3.41Å; S663-G667 PolarHBondContact O-N 3.04Å
664	L	79.9	Confident	76	Confident	125 Å²	125	95.4 Å²	95.4	65%	0.654	52%	0.52	S	S	*	.	H	α-helix	trans	-69.6	-41.8	175.7	-74.3	167.7	0	0	0	111.7	L660 V661 G668	L660-L664 HydrophobicContact CG-CD1 4.21Å; L660-L664 WeakPolarHBondContact O-CB 3.39Å; L660-L664 VanDerWaalsContact O-CG 3.3Å; L660-L664 WeakPolarHBondContact O-CG 3.31Å; L660-L664 PolarHBondContact O-N 3.41Å; V661-L664 PolarHBondContact O-N 3.11Å; L664-G668 PolarHBondContact O-N 3.45Å
665	V	79.8	Confident	74.8	Confident	88 Å²	88	98.7 Å²	98.7	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-68.9	-46.8	177.1	174.3	0	0	0	0	110.8	V661 F662 G668 I669	V661-V665 VanDerWaalsContact O-CG2 3.31Å; V661-V665 WeakPolarHBondContact O-CG2 2.96Å; V661-V665 PolarHBondContact O-N 3.4Å; F662-V665 PolarHBondContact O-N 3.33Å; V665-G668 PolarHBondContact O-N 3.41Å; V665-I669 HydrophobicContact CG1-CD1 3.94Å; V665-I669 WeakPolarHBondContact O-CD1 3.39Å; V665-I669 VanDerWaalsContact O-CG1 3.25Å; V665-I669 WeakPolarHBondContact O-CG1 3.45Å; V665-I669 PolarHBondContact O-N 2.72Å; V665-I669 VanDerWaalsContact O-N 3.11Å
666	L	74.6	Confident	73.6	Confident	76 Å²	76	97.4 Å²	97.4	40%	0.398	54%	0.536	S	S	.	.	H	α-helix	trans	-68.4	-38.1	178.8	-161.9	75.3	0	0	0	111.4	F662 I669 I670	F662-L666 HydrophobicContact CD1-CD2 4.5Å; F662-L666 HydrophobicContact CE1-CD1 4.44Å; F662-L666 HydrophobicContact CE1-CD2 4.13Å; F662-L666 WeakPolarHBondContact O-CB 3.4Å; F662-L666 PolarHBondContact O-N 2.99Å; L666-I669 PolarHBondContact O-N 2.92Å; L666-I670 HydrophobicContact CD2-CD1 4.02Å; L666-I670 HydrophobicContact CG-CD1 3.74Å; L666-I670 HydrophobicContact CG-CG1 4.35Å; L666-I670 VanDerWaalsContact O-CB 3.27Å; L666-I670 WeakPolarHBondContact O-CB 3.43Å; L666-I670 WeakPolarHBondContact O-CG1 3.35Å; L666-I670 PolarHBondContact O-N 3.3Å
667	G	73.7	Confident	72.5	Confident	36 Å²	36	100.1 Å²	100.1	37%	0.371	54%	0.541	S	S	.	.	H	α-helix	trans	-62.3	-41	174.1	0	0	0	0	0	112.7	S663 Y671	S663-G667 WeakPolarHBondContact O-CA 3.41Å; S663-G667 PolarHBondContact O-N 3.04Å; G667-Y671 VanDerWaalsContact O-CB 3.22Å; G667-Y671 WeakPolarHBondContact O-CB 3.29Å; G667-Y671 PolarHBondContact O-N 2.9Å
668	G	73.4	Confident	71.3	Confident	43 Å²	43	102.7 Å²	102.7	44%	0.443	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-40.9	172	0	0	0	0	0	113	L664 V665 A672	L664-G668 PolarHBondContact O-N 3.45Å; V665-G668 PolarHBondContact O-N 3.41Å; G668-A672 WeakPolarHBondContact O-CB 3.49Å; G668-A672 PolarHBondContact O-N 3.16Å
669	I	72.4	Confident	69.8	Low	92 Å²	92	108.1 Å²	108.1	47%	0.472	56%	0.564	S	S	.	*	H	α-helix	trans	-71.2	-40.2	178.9	-65.8	165.1	0	0	0	111.6	V665 L666 R673	V665-I669 HydrophobicContact CG1-CD1 3.94Å; V665-I669 WeakPolarHBondContact O-CD1 3.39Å; V665-I669 VanDerWaalsContact O-CG1 3.25Å; V665-I669 WeakPolarHBondContact O-CG1 3.45Å; V665-I669 PolarHBondContact O-N 2.72Å; V665-I669 VanDerWaalsContact O-N 3.11Å; L666-I669 PolarHBondContact O-N 2.92Å; I669-R673 PolarHBondContact O-N 3.41Å
670	I	66.3	Low	68.4	Low	83 Å²	83	108.6 Å²	108.6	43%	0.426	57%	0.566	S	S	.	*	H	α-helix	trans	-69.5	-44	178.4	-73.1	171.7	0	0	0	110.6	L666 A672 R673 L674	L666-I670 HydrophobicContact CD2-CD1 4.02Å; L666-I670 HydrophobicContact CG-CD1 3.74Å; L666-I670 HydrophobicContact CG-CG1 4.35Å; L666-I670 VanDerWaalsContact O-CB 3.27Å; L666-I670 WeakPolarHBondContact O-CB 3.43Å; L666-I670 WeakPolarHBondContact O-CG1 3.35Å; L666-I670 PolarHBondContact O-N 3.3Å; I670-A672 VanDerWaalsContact C-N 3.33Å; I670-A672 PolarHBondContact O-N 2.86Å; I670-R673 PolarHBondContact O-N 2.82Å; I670-L674 HydrophobicContact CG2-CD1 3.9Å; I670-L674 WeakPolarHBondContact O-CB 3.35Å; I670-L674 PolarHBondContact O-N 2.88Å
671	Y	65.7	Low	67.3	Low	176 Å²	176	108.4 Å²	108.4	69%	0.69	57%	0.565	S	S	*	*	H	α-helix	trans	-61.2	-41.1	176.6	-177.9	-97.9	0	0	0	111.9	G667 R673	G667-Y671 VanDerWaalsContact O-CB 3.22Å; G667-Y671 WeakPolarHBondContact O-CB 3.29Å; G667-Y671 PolarHBondContact O-N 2.9Å; Y671-R673 VanDerWaalsContact C-N 3.33Å; Y671-R673 PolarHBondContact O-N 2.92Å
672	A	64.6	Low	65.9	Low	79 Å²	79	112 Å²	112	65%	0.653	57%	0.57	S	S	*	*	H	α-helix	trans	-67.2	-28.8	177.4	0	0	0	0	0	113.6	G668 I670	G668-A672 WeakPolarHBondContact O-CB 3.49Å; G668-A672 PolarHBondContact O-N 3.16Å; I670-A672 VanDerWaalsContact C-N 3.33Å; I670-A672 PolarHBondContact O-N 2.86Å
673	R	62.1	Low	64.4	Low	222 Å²	222	113.3 Å²	113.3	84%	0.838	58%	0.575	S	S	*	*	H	α-helix	trans	-99.9	-18.5	-177.1	-75.9	-161	173.7	-174.6	1	116	I669 I670 Y671	I669-R673 PolarHBondContact O-N 3.41Å; I670-R673 PolarHBondContact O-N 2.82Å; Y671-R673 VanDerWaalsContact C-N 3.33Å; Y671-R673 PolarHBondContact O-N 2.92Å
674	L	62	Low	63.2	Low	72 Å²	72	118.3 Å²	118.3	38%	0.377	59%	0.589	S	S	.	*	H	α-helix	trans	-116.6	15.7	-171.6	-81.7	153.8	0	0	0	115.7	I670 G676 Q677	I670-L674 HydrophobicContact CG2-CD1 3.9Å; I670-L674 WeakPolarHBondContact O-CB 3.35Å; I670-L674 PolarHBondContact O-N 2.88Å; L674-G676 PolarHBondContact O-N 2.89Å; L674-G676 VanDerWaalsContact O-N 3.07Å; L674-Q677 HydrophobicContact CD2-CB 3.92Å; L674-Q677 HydrophobicContact CD2-CG 4.27Å; L674-Q677 PolarHBondContact O-N 3.48Å
675	R	57.3	Low	62	Low	214 Å²	214	116.6 Å²	116.6	81%	0.808	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-27.5	174.2	-167.3	177.9	-179	-172.7	1.5	113.8
676	G	58.4	Low	60.7	Low	57 Å²	57	116.6 Å²	116.6	59%	0.588	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-23	-177.8	0	0	0	0	0	116.3	L674	L674-G676 PolarHBondContact O-N 2.89Å; L674-G676 VanDerWaalsContact O-N 3.07Å
677	Q	56.9	Low	59.3	Low	123 Å²	123	119.7 Å²	119.7	58%	0.575	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-18.5	-173.2	-66.2	-143	-8.5	0	0	114.4	L674 F679 I680 I681	L674-Q677 HydrophobicContact CD2-CB 3.92Å; L674-Q677 HydrophobicContact CD2-CG 4.27Å; L674-Q677 PolarHBondContact O-N 3.48Å; Q677-F679 PolarHBondContact O-N 3.09Å; Q677-I680 PolarHBondContact O-N 3.08Å; Q677-I681 PolarHBondContact O-N 3.44Å
678	I	56.4	Low	58	Low	112 Å²	112	128.8 Å²	128.8	57%	0.574	62%	0.623	S	S	*	*	H	α-helix	trans	-64.1	-29.5	175.6	-67.3	169	0	0	0	111.5	Y682	I678-Y682 PolarHBondContact O-N 2.8Å
679	F	52	Low	56.7	Low	164 Å²	164	132.3 Å²	132.3	72%	0.719	64%	0.636	S	S	*	*	H	α-helix	trans	-72.8	-26.3	177	-169.2	-105.9	0	0	0	113.7	Q677	Q677-F679 PolarHBondContact O-N 3.09Å
680	I	55.7	Low	55.6	Low	108 Å²	108	135.4 Å²	135.4	55%	0.554	65%	0.652	S	S	*	*	H	α-helix	trans	-83.6	-33.3	-177.8	-62.5	176.6	0	0	0	111.1	Q677 K683	Q677-I680 PolarHBondContact O-N 3.08Å; I680-K683 PolarHBondContact O-N 2.94Å
681	I	57.9	Low	54.2	Low	107 Å²	107	140.3 Å²	140.3	55%	0.549	67%	0.674	S	S	.	*	H	α-helix	trans	-72.6	-37.7	177.3	-64.1	170.5	0	0	0	110.7	Q677 K683 K684 V685	Q677-I681 PolarHBondContact O-N 3.44Å; I681-K683 PolarHBondContact O-N 2.74Å; I681-K684 PolarHBondContact O-N 2.79Å; I681-K684 VanDerWaalsContact O-N 3.07Å; I681-V685 HydrophobicContact CG2-CG2 4.4Å; I681-V685 WeakPolarHBondContact O-CG2 3.44Å; I681-V685 PolarHBondContact O-N 2.53Å
682	Y	56.3	Low	53.1	Low	168 Å²	168	135.2 Å²	135.2	66%	0.659	67%	0.674	S	S	*	*	H	α-helix	trans	-55.1	-38.9	174	179.6	-105.9	0	0	0	112.6	I678 K684	I678-Y682 PolarHBondContact O-N 2.8Å; Y682-K684 PolarHBondContact O-N 2.98Å
683	K	51	Low	51.9	Low	169 Å²	169	137.8 Å²	137.8	74%	0.735	68%	0.684	S	S	*	*	H	α-helix	trans	-76.2	-20.7	179.8	-152.9	176.8	-175.9	-179.9	0	113.9	I680 I681	I680-K683 PolarHBondContact O-N 2.94Å; I681-K683 PolarHBondContact O-N 2.74Å
684	K	50	Low	50.7	Low	171 Å²	171	136.6 Å²	136.6	74%	0.743	69%	0.685	S	S	*	*	H	α-helix	trans	-87.2	-25.2	-179.7	-113.3	178.4	179	177.8	0	113.3	I681 Y682	I681-K684 PolarHBondContact O-N 2.79Å; I681-K684 VanDerWaalsContact O-N 3.07Å; Y682-K684 PolarHBondContact O-N 2.98Å
685	V	54.9	Low	49.6	Very low	88 Å²	88	138.8 Å²	138.8	53%	0.533	70%	0.704	S	S	.	*	H	α-helix	trans	-80.4	-32.2	-178.9	174	0	0	0	0	111.8	I681 N687 R688	I681-V685 HydrophobicContact CG2-CG2 4.4Å; I681-V685 WeakPolarHBondContact O-CG2 3.44Å; I681-V685 PolarHBondContact O-N 2.53Å; V685-N687 VanDerWaalsContact C-N 3.29Å; V685-N687 PolarHBondContact O-N 2.98Å; V685-R688 PolarHBondContact O-N 3.38Å
686	V	52.8	Low	48.8	Very low	88 Å²	88	134.7 Å²	134.7	53%	0.533	71%	0.705	S	S	.	*	G	3₁₀ helix	trans	-68.4	-22.9	-178.6	176	0	0	0	0	113.4
687	N	46.3	Very low	47.9	Very low	141 Å²	141	136.7 Å²	136.7	75%	0.754	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-87.6	-3.6	176.7	-91.5	8.5	0	0	0	115	V685	V685-N687 VanDerWaalsContact C-N 3.29Å; V685-N687 PolarHBondContact O-N 2.98Å
688	R	44.8	Very low	47.1	Very low	227 Å²	227	139.7 Å²	139.7	86%	0.857	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-103.8	-0.2	178.9	-101	-172.2	-176.4	178.6	0.9	114.5	V685	V685-R688 PolarHBondContact O-N 3.38Å
689	V	47.1	Very low	46.6	Very low	118 Å²	118	143 Å²	143	72%	0.715	74%	0.743	S	S	*	*	S	Bend	trans	-93.3	4	-176.4	179.1	0	0	0	0	112.3
690	L	48.6	Very low	46.6	Very low	157 Å²	157	140.6 Å²	140.6	82%	0.822	74%	0.737	S	S	*	*	S	Bend	trans	-105.8	16.9	-176.7	-99.7	161.7	0	0	0	115.6
691	E	37.4	Very low	46.6	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	75%	0.752	S	S	*	*	S	Bend	trans	-128.3	112.2	168.6	-71.6	-176.2	174.2	0	0	109.6
692	G	43.2	Very low	47.3	Very low	68 Å²	68	142.6 Å²	142.6	70%	0.701	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-70	172.6	-178.6	0	0	0	0	0	114.1
693	P	38.8	Very low	48.3	Very low	134 Å²	134	141.1 Å²	141.1	87%	0.87	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67.1	137.5	-176.7	-6.5	21.3	0	0	0	110.9
694	K	36.6	Very low	49.9	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.857	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-65.4	141.9	172.4	-72.7	179.3	178.2	177.4	0	110.5
695	P	39.4	Very low	51.6	Low	117 Å²	117	129.1 Å²	129.1	76%	0.76	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-67.9	156.1	176.6	27.9	-33.1	0	0	0	111.9
696	P	40.5	Very low	53.3	Low	128 Å²	128	125 Å²	125	83%	0.831	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-67	153.6	-179.2	29.7	-34.9	0	0	0	111.9
697	A	39.4	Very low	55.2	Low	100 Å²	100	121.1 Å²	121.1	83%	0.826	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-67.6	142.9	-179.8	0	0	0	0	0	111.9
698	Q	40.6	Very low	57.4	Low	185 Å²	185	114.7 Å²	114.7	86%	0.864	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.8	130.9	174.6	-85.5	168.7	-56.9	0	0	112.2	N700	Q698-N700 PolarHBondContact O-N 3.33Å
699	E	44.8	Very low	59.8	Low	183 Å²	183	104.2 Å²	104.2	86%	0.855	57%	0.571	S	S	*	*			trans	-67	115.1	165	-75.9	174.3	154	0	0	109.7
700	N	53.3	Low	62	Low	112 Å²	112	99.4 Å²	99.4	60%	0.599	54%	0.541	S	S	*	.			trans	-90.5	110.1	166	-75.9	-12	0	0	0	108.3	Q698 W702	Q698-N700 PolarHBondContact O-N 3.33Å; N700-W702 HydrophobicContact CB-CZ2 4.23Å; N700-W702 PolarHBondContact O-N 3.03Å; N700-W702 VanDerWaalsContact O-N 3.13Å
701	N	55.9	Low	64	Low	162 Å²	162	92.3 Å²	92.3	87%	0.866	50%	0.504	S	S	*	.			trans	-74.1	91.4	172.6	-89.7	-9.1	0	0	0	110.2
702	W	71.6	Confident	66.3	Low	95 Å²	95	88.7 Å²	88.7	36%	0.36	49%	0.491	S	S	.	.			trans	-76.6	137.5	164.6	-52.7	103.6	0	0	0	108.9	N700 W760 R763	N700-W702 HydrophobicContact CB-CZ2 4.23Å; N700-W702 PolarHBondContact O-N 3.03Å; N700-W702 VanDerWaalsContact O-N 3.13Å; W702-W760 WeakPolarHBondContact CZ3-O 3.45Å; W702-R763 HydrophobicContact CB-CB 4.34Å; W702-R763 HydrophobicContact CG-CB 4.02Å
703	Q	78.1	Confident	68.5	Low	137 Å²	137	89.9 Å²	89.9	64%	0.64	49%	0.488	S	S	*	.	S	Bend	trans	-76.4	-31.3	178.7	-174.9	176.9	-10.2	0	0	111.3	H737 G761	Q703-H737 PolarHBondContact O-CD2 2.89Å; Q703-H737 VanDerWaalsContact O-CD2 3.29Å; Q703-G761 PolarHBondContact N-O 3.02Å
704	Y	84.1	Confident	70.9	Confident	29 Å²	29	85.2 Å²	85.2	11%	0.114	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.2	-179.4	-59.3	-87.9	0	0	0	111.3	H737 C739 G761 S762 R763	Y704-H737 WeakPolarHBondContact CB-O 3.49Å; Y704-H737 AromaticContact CD1-CD2 3.23Å; Y704-H737 WeakPolarHBondContact CD1-CD2 3.29Å; Y704-H737 AromaticContact CD1-CG 3.97Å; Y704-H737 AromaticContact CD1-NE2 3.42Å; Y704-H737 WeakPolarHBondContact CD1-NE2 3.27Å; Y704-H737 AromaticContact CE1-CD2 3.61Å; Y704-H737 AromaticContact CE1-CE1 3.95Å; Y704-H737 AromaticContact CE1-NE2 3.22Å; Y704-H737 WeakPolarHBondContact CE1-NE2 3.44Å; Y704-C739 HydrophobicContact CD1-CB 3.68Å; Y704-C739 HydrophobicContact CD2-CB 3.82Å; Y704-C739 HydrophobicContact CE1-CB 3.95Å; Y704-C739 HydrophobicContact CE2-CB 4.1Å; Y704-C739 HydrophobicContact CG-CB 3.62Å; Y704-G761 PolarHBondContact N-O 3.28Å; Y704-G761 VanDerWaalsContact N-O 3.08Å; Y704-S762 WeakPolarHBondContact CB-OG 3.35Å; Y704-S762 CarbonylContact O-C 3.44Å; Y704-S762 VanDerWaalsContact O-CA 3.3Å; Y704-S762 WeakPolarHBondContact O-CA 3.33Å; Y704-R763 PolarHBondContact O-N 3.4Å
705	D	86.1	Confident	73.4	Confident	60 Å²	60	78.6 Å²	78.6	32%	0.321	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-38.3	176	-67	-53.8	0	0	0	111.7	F736 H737 R763 K764	D705-F736 HydrophobicContact CB-CB 3.98Å; D705-F736 HydrophobicContact CB-CD1 3.72Å; D705-F736 HydrophobicContact CB-CG 4.23Å; D705-H737 PolarHBondContact N-O 2.97Å; D705-H737 PolarHBondContact OD2-N 3.07Å; D705-R763 WeakPolarHBondContact O-CB 3.11Å; D705-K764 PolarHBondContact O-N 3.28Å; D705-K764 VanDerWaalsContact O-N 3.12Å
706	A	89.4	Confident	75.8	Confident	2 Å²	2	83.6 Å²	83.6	2%	0.017	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134.8	179.3	0	0	0	0	0	112.5	C738 C739 K764 I847	A706-C738 CarbonylContact O-C 3.32Å; A706-C738 VanDerWaalsContact O-CA 3.25Å; A706-C738 WeakPolarHBondContact O-CA 3.48Å; A706-C739 PolarHBondContact O-N 2.91Å; A706-K764 CarbonylContact C-O 3.46Å; A706-K764 WeakPolarHBondContact CA-O 3.05Å; A706-I847 HydrophobicContact CB-CG2 4.45Å
707	F	93.5	Very high	78.2	Confident	6 Å²	6	81.2 Å²	81.2	3%	0.026	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.1	165.4	172.7	-131.6	0	0	0	109.6	C709 C739 F745 A758 I759 S762 K764 T765 L766	F707-C709 HydrophobicContact CD1-CB 4.43Å; F707-C709 HydrophobicContact CE1-CB 3.92Å; F707-C709 HydrophobicContact CZ-CB 4.2Å; F707-C739 HydrophobicContact CD2-CB 4.13Å; F707-C739 VanDerWaalsContact CD2-O 3.29Å; F707-C739 WeakPolarHBondContact CD2-O 3.38Å; F707-F745 HydrophobicContact CE2-CE1 4.11Å; F707-F745 HydrophobicContact CE2-CZ 4.32Å; F707-F745 HydrophobicContact CZ-CE1 4.47Å; F707-F745 HydrophobicContact CZ-CZ 4.26Å; F707-A758 HydrophobicContact CD1-CB 4.3Å; F707-A758 HydrophobicContact CD2-CB 3.63Å; F707-A758 HydrophobicContact CE1-CB 4.35Å; F707-A758 HydrophobicContact CE2-CB 3.7Å; F707-A758 HydrophobicContact CG-CB 3.98Å; F707-A758 HydrophobicContact CZ-CB 4.07Å; F707-I759 HydrophobicContact CD1-CG1 3.7Å; F707-I759 HydrophobicContact CE1-CG1 3.87Å; F707-S762 WeakPolarHBondContact CB-OG 3.42Å; F707-S762 PolarHBondContact N-OG 3.28Å; F707-K764 PolarHBondContact N-O 3.43Å; F707-T765 HydrophobicContact CD1-CG2 3.68Å; F707-T765 HydrophobicContact CE1-CG2 4.39Å; F707-T765 CarbonylContact O-C 3.25Å; F707-T765 WeakPolarHBondContact O-CA 3.38Å; F707-L766 PolarHBondContact O-N 3.49Å
708	L	93.2	Very high	80.6	Confident	5 Å²	5	76.5 Å²	76.5	3%	0.026	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.4	176.8	-71	160.5	0	0	0	109.5	F710 L723 C738 C739 F740 L766 I768	L708-F710 HydrophobicContact CB-CD1 4.15Å; L708-F710 HydrophobicContact CB-CE1 4.15Å; L708-L723 HydrophobicContact CD1-CD2 3.36Å; L708-L723 HydrophobicContact CD1-CG 4.48Å; L708-C738 HydrophobicContact CD1-CB 3.64Å; L708-C738 HydrophobicContact CG-CB 4.35Å; L708-C739 PolarHBondContact N-O 3.16Å; L708-F740 HydrophobicContact CB-CB 4.24Å; L708-L766 HydrophobicContact CD2-CB 4.22Å; L708-L766 HydrophobicContact CD2-CD2 3.69Å; L708-L766 HydrophobicContact CD2-CG 4.21Å; L708-I768 HydrophobicContact CD2-CD1 4.4Å
709	C	93.4	Very high	82.8	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.054	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	112	178.8	177.8	0	0	0	0	110	F707 L766 C767 I768 A782	F707-C709 HydrophobicContact CD1-CB 4.43Å; F707-C709 HydrophobicContact CE1-CB 3.92Å; F707-C709 HydrophobicContact CZ-CB 4.2Å; C709-L766 PolarHBondContact N-O 2.86Å; C709-C767 WeakPolarHBondContact O-CA 3.4Å; C709-I768 PolarHBondContact O-N 3Å; C709-A782 VanDerWaalsContact SG-CB 3.59Å
710	F	93.5	Very high	84.7	Confident	17 Å²	17	64.9 Å²	64.9	8%	0.075	32%	0.322	C	S	.	.			trans	-151.1	158.8	-178.3	62	-87.9	0	0	0	110.9	L708 Y715 V718 F740 I768	L708-F710 HydrophobicContact CB-CD1 4.15Å; L708-F710 HydrophobicContact CB-CE1 4.15Å; F710-Y715 AromaticContact CE2-CD2 3.92Å; F710-Y715 HydrophobicContact CE2-CD2 3.92Å; F710-Y715 AromaticContact CZ-CD2 3.99Å; F710-Y715 HydrophobicContact CZ-CD2 3.99Å; F710-V718 HydrophobicContact CB-CG2 4.18Å; F710-V718 HydrophobicContact CD1-CG1 4Å; F710-V718 HydrophobicContact CD1-CG2 4.35Å; F710-V718 HydrophobicContact CD2-CB 4.3Å; F710-V718 HydrophobicContact CD2-CG2 3.82Å; F710-V718 HydrophobicContact CE1-CG1 3.85Å; F710-V718 HydrophobicContact CE2-CB 4.28Å; F710-V718 HydrophobicContact CE2-CG1 4.39Å; F710-V718 HydrophobicContact CE2-CG2 4.29Å; F710-V718 HydrophobicContact CG-CB 4.5Å; F710-V718 HydrophobicContact CG-CG1 4.34Å; F710-V718 HydrophobicContact CG-CG2 3.87Å; F710-V718 HydrophobicContact CZ-CB 4.41Å; F710-V718 HydrophobicContact CZ-CG1 4.06Å; F710-F740 HydrophobicContact CE1-CB 3.88Å; F710-F740 HydrophobicContact CE1-CG 4.33Å; F710-F740 HydrophobicContact CZ-CB 4.42Å; F710-F740 HydrophobicContact CZ-CD2 4.32Å; F710-I768 HydrophobicContact CB-CB 3.88Å; F710-I768 HydrophobicContact CB-CD1 3.98Å; F710-I768 HydrophobicContact CB-CG1 4.22Å; F710-I768 HydrophobicContact CD1-CD1 4.24Å; F710-I768 HydrophobicContact CG-CD1 4.35Å
711	S	91.1	Very high	86.2	Confident	8 Å²	8	60 Å²	60	6%	0.056	30%	0.298	C	S	.	.			trans	-75.6	140.5	176.5	-173.1	0	0	0	0	110.6	S713 D714 D776	S711-S713 PolarHBondContact O-N 3.45Å; S711-D714 PolarHBondContact O-N 3.33Å; S711-D776 PolarHBondContact OG-OD2 3.41Å; S711-D776 VanDerWaalsContact OG-OD2 3.11Å
712	N	86.3	Confident	87.6	Confident	109 Å²	109	52.4 Å²	52.4	58%	0.583	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-57.3	-25	-179.4	-161.6	22.6	0	0	0	113.2	D714 Y715	N712-D714 PolarHBondContact O-N 3.24Å; N712-Y715 WeakPolarHBondContact O-CB 3.47Å; N712-Y715 PolarHBondContact O-N 3.01Å
713	S	88.3	Confident	88.3	Confident	93 Å²	93	47.9 Å²	47.9	65%	0.65	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-62.1	-25.4	173.6	-60.4	0	0	0	0	113.7	S711	S711-S713 PolarHBondContact O-N 3.45Å
714	D	90.5	Very high	88.4	Confident	36 Å²	36	47.1 Å²	47.1	19%	0.193	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-96.2	2	-178.7	-63.7	-45.9	0	0	0	113	S711 N712 R716 W717 V718 S770	S711-D714 PolarHBondContact O-N 3.33Å; N712-D714 PolarHBondContact O-N 3.24Å; D714-R716 VanDerWaalsContact C-N 3.34Å; D714-R716 PolarHBondContact O-N 3.31Å; D714-W717 PolarHBondContact O-N 3.41Å; D714-V718 HydrophobicContact CB-CG2 4.45Å; D714-V718 WeakPolarHBondContact O-CG2 3.43Å; D714-V718 PolarHBondContact O-N 3.37Å; D714-S770 VanDerWaalsContact OD2-CB 3.26Å; D714-S770 WeakPolarHBondContact OD2-CB 3.47Å; D714-S770 PolarHBondContact OD2-OG 3.31Å
715	Y	89.1	Confident	88	Confident	59 Å²	59	49.9 Å²	49.9	23%	0.231	25%	0.247	C	C	.	.	H	α-helix	trans	-51.6	-46.8	-173.4	177.5	-92	0	0	0	113.4	F710 N712 W717 V718 E719 F740	F710-Y715 AromaticContact CE2-CD2 3.92Å; F710-Y715 HydrophobicContact CE2-CD2 3.92Å; F710-Y715 AromaticContact CZ-CD2 3.99Å; F710-Y715 HydrophobicContact CZ-CD2 3.99Å; N712-Y715 WeakPolarHBondContact O-CB 3.47Å; N712-Y715 PolarHBondContact O-N 3.01Å; Y715-W717 PolarHBondContact O-N 3.39Å; Y715-V718 PolarHBondContact O-N 3.06Å; Y715-V718 VanDerWaalsContact O-N 3.16Å; Y715-E719 HydrophobicContact CE1-CB 4.27Å; Y715-E719 WeakPolarHBondContact CE1-OE2 3.45Å; Y715-E719 WeakPolarHBondContact O-CB 3.38Å; Y715-E719 PolarHBondContact O-N 3.16Å; Y715-F740 HydrophobicContact CE2-CE2 4.17Å
716	R	88.1	Confident	87.6	Confident	221 Å²	221	47.3 Å²	47.3	83%	0.834	23%	0.233	S	C	*	.	H	α-helix	trans	-58.9	-36.9	-179.1	-70.5	-174.7	179.7	178.4	0.3	112.8	D714 A720	D714-R716 VanDerWaalsContact C-N 3.34Å; D714-R716 PolarHBondContact O-N 3.31Å; R716-A720 PolarHBondContact O-N 3.04Å
717	W	91.9	Very high	87.1	Confident	79 Å²	79	47.2 Å²	47.2	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-74.5	-44.8	178.2	-179.2	89.1	0	0	0	110.4	D714 Y715 E719 A720 A721 L722 I768 V803 W829	D714-W717 PolarHBondContact O-N 3.41Å; Y715-W717 PolarHBondContact O-N 3.39Å; W717-E719 VanDerWaalsContact C-N 3.31Å; W717-E719 PolarHBondContact O-N 2.83Å; W717-A720 PolarHBondContact O-N 3.2Å; W717-A721 HydrophobicContact CD2-CB 4.13Å; W717-A721 HydrophobicContact CE3-CB 4.41Å; W717-A721 HydrophobicContact CH2-CB 4.11Å; W717-A721 HydrophobicContact CZ2-CB 3.85Å; W717-A721 HydrophobicContact CZ3-CB 4.39Å; W717-A721 WeakPolarHBondContact O-CB 3.22Å; W717-A721 PolarHBondContact O-N 3.28Å; W717-L722 HydrophobicContact CH2-CD1 4.36Å; W717-L722 HydrophobicContact CZ3-CD1 3.94Å; W717-L722 HydrophobicContact CZ3-CG 4.42Å; W717-I768 HydrophobicContact CZ3-CG2 4.12Å; W717-V803 HydrophobicContact CD2-CG1 3.95Å; W717-V803 HydrophobicContact CE3-CG1 3.99Å; W717-V803 HydrophobicContact CH2-CB 4.12Å; W717-V803 HydrophobicContact CH2-CG1 3.54Å; W717-V803 HydrophobicContact CH2-CG2 3.38Å; W717-V803 HydrophobicContact CZ2-CB 4.44Å; W717-V803 HydrophobicContact CZ2-CG1 3.43Å; W717-V803 VanDerWaalsContact CZ2-CG1 3.43Å; W717-V803 HydrophobicContact CZ2-CG2 4.1Å; W717-V803 HydrophobicContact CZ3-CB 4.3Å; W717-V803 HydrophobicContact CZ3-CG1 3.82Å; W717-V803 HydrophobicContact CZ3-CG2 3.63Å; W717-W829 AromaticContact CH2-CD2 3.86Å; W717-W829 HydrophobicContact CH2-CD2 3.86Å; W717-W829 AromaticContact CH2-CE3 3.58Å; W717-W829 HydrophobicContact CH2-CE3 3.58Å; W717-W829 HydrophobicContact CH2-CG 4.43Å; W717-W829 HydrophobicContact CH2-CH2 4.36Å; W717-W829 AromaticContact CH2-CZ3 3.85Å; W717-W829 HydrophobicContact CH2-CZ3 3.85Å; W717-W829 AromaticContact CZ2-CD2 3.47Å; W717-W829 HydrophobicContact CZ2-CD2 3.47Å; W717-W829 VanDerWaalsContact CZ2-CD2 3.47Å; W717-W829 AromaticContact CZ2-CE2 3.62Å; W717-W829 AromaticContact CZ2-CE3 3.68Å; W717-W829 HydrophobicContact CZ2-CE3 3.68Å; W717-W829 AromaticContact CZ2-CG 3.92Å; W717-W829 HydrophobicContact CZ2-CG 3.92Å; W717-W829 HydrophobicContact CZ2-CH2 4.13Å; W717-W829 AromaticContact CZ2-CZ2 3.96Å; W717-W829 HydrophobicContact CZ2-CZ2 3.96Å; W717-W829 AromaticContact CZ2-CZ3 4Å; W717-W829 HydrophobicContact CZ2-CZ3 4Å
718	V	90.3	Very high	85.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-39.4	178.7	177.3	0	0	0	0	111.6	F710 D714 Y715 L722 L723 I768	F710-V718 HydrophobicContact CB-CG2 4.18Å; F710-V718 HydrophobicContact CD1-CG1 4Å; F710-V718 HydrophobicContact CD1-CG2 4.35Å; F710-V718 HydrophobicContact CD2-CB 4.3Å; F710-V718 HydrophobicContact CD2-CG2 3.82Å; F710-V718 HydrophobicContact CE1-CG1 3.85Å; F710-V718 HydrophobicContact CE2-CB 4.28Å; F710-V718 HydrophobicContact CE2-CG1 4.39Å; F710-V718 HydrophobicContact CE2-CG2 4.29Å; F710-V718 HydrophobicContact CG-CB 4.5Å; F710-V718 HydrophobicContact CG-CG1 4.34Å; F710-V718 HydrophobicContact CG-CG2 3.87Å; F710-V718 HydrophobicContact CZ-CB 4.41Å; F710-V718 HydrophobicContact CZ-CG1 4.06Å; D714-V718 HydrophobicContact CB-CG2 4.45Å; D714-V718 WeakPolarHBondContact O-CG2 3.43Å; D714-V718 PolarHBondContact O-N 3.37Å; Y715-V718 PolarHBondContact O-N 3.06Å; Y715-V718 VanDerWaalsContact O-N 3.16Å; V718-L722 HydrophobicContact CG1-CB 4.44Å; V718-L722 HydrophobicContact CG1-CD1 4.49Å; V718-L722 WeakPolarHBondContact O-CA 3.37Å; V718-L722 WeakPolarHBondContact O-CB 3.45Å; V718-L722 PolarHBondContact O-N 2.75Å; V718-L723 HydrophobicContact CG1-CD1 4.47Å; V718-L723 HydrophobicContact CG1-CG 4.26Å; V718-L723 PolarHBondContact O-N 3.15Å; V718-I768 HydrophobicContact CB-CD1 4.39Å; V718-I768 HydrophobicContact CG1-CD1 3.84Å; V718-I768 HydrophobicContact CG2-CD1 3.62Å
719	E	86.1	Confident	84.1	Confident	59 Å²	59	55.3 Å²	55.3	28%	0.276	27%	0.272	S	S	.	.	I	π-helix	trans	-61.3	-52.3	175.5	-177.4	179.9	-157.6	0	0	111.8	Y715 W717 L723 K724	Y715-E719 HydrophobicContact CE1-CB 4.27Å; Y715-E719 WeakPolarHBondContact CE1-OE2 3.45Å; Y715-E719 WeakPolarHBondContact O-CB 3.38Å; Y715-E719 PolarHBondContact O-N 3.16Å; W717-E719 VanDerWaalsContact C-N 3.31Å; W717-E719 PolarHBondContact O-N 2.83Å; E719-L723 HydrophobicContact CB-CD1 4.47Å; E719-K724 WeakPolarHBondContact O-CG 3.5Å; E719-K724 PolarHBondContact O-N 2.92Å; E719-K724 VanDerWaalsContact O-N 3.11Å
720	A	84.4	Confident	82.3	Confident	65 Å²	65	58.5 Å²	58.5	54%	0.537	29%	0.285	S	S	.	.	I	π-helix	trans	-70.5	-36.5	-176.4	0	0	0	0	0	113.3	R716 W717	R716-A720 PolarHBondContact O-N 3.04Å; W717-A720 PolarHBondContact O-N 3.2Å
721	A	84.4	Confident	80.5	Confident	11 Å²	11	58.5 Å²	58.5	9%	0.091	29%	0.288	C	S	.	.	I	π-helix	trans	-95.2	-36.2	-171.7	0	0	0	0	0	113.5	W717 W829 Y840	W717-A721 HydrophobicContact CD2-CB 4.13Å; W717-A721 HydrophobicContact CE3-CB 4.41Å; W717-A721 HydrophobicContact CH2-CB 4.11Å; W717-A721 HydrophobicContact CZ2-CB 3.85Å; W717-A721 HydrophobicContact CZ3-CB 4.39Å; W717-A721 WeakPolarHBondContact O-CB 3.22Å; W717-A721 PolarHBondContact O-N 3.28Å; A721-W829 HydrophobicContact CB-CH2 3.69Å; A721-W829 HydrophobicContact CB-CZ2 4.04Å; A721-W829 HydrophobicContact CB-CZ3 4.38Å; A721-Y840 PolarHBondContact O-OH 2.72Å
722	L	86.8	Confident	78.5	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	33%	0.33	C	S	.	.	I	π-helix	trans	-115.6	-53.9	-173.3	-66.6	170.3	0	0	0	112.1	W717 V718 K724 K725 L726 I768 L801 W829 Y840 L843	W717-L722 HydrophobicContact CH2-CD1 4.36Å; W717-L722 HydrophobicContact CZ3-CD1 3.94Å; W717-L722 HydrophobicContact CZ3-CG 4.42Å; V718-L722 HydrophobicContact CG1-CB 4.44Å; V718-L722 HydrophobicContact CG1-CD1 4.49Å; V718-L722 WeakPolarHBondContact O-CA 3.37Å; V718-L722 WeakPolarHBondContact O-CB 3.45Å; V718-L722 PolarHBondContact O-N 2.75Å; L722-K724 PolarHBondContact O-N 3.24Å; L722-K725 PolarHBondContact O-N 3.11Å; L722-K725 VanDerWaalsContact O-N 3.08Å; L722-L726 HydrophobicContact CB-CD1 4.23Å; L722-L726 HydrophobicContact CD2-CD1 3.86Å; L722-L726 VanDerWaalsContact O-CB 3.31Å; L722-L726 WeakPolarHBondContact O-CB 3.36Å; L722-L726 WeakPolarHBondContact O-CG 3.46Å; L722-L726 PolarHBondContact O-N 3.05Å; L722-I768 HydrophobicContact CD1-CD1 3.41Å; L722-I768 VanDerWaalsContact CD1-CD1 3.41Å; L722-I768 HydrophobicContact CD1-CG1 4.25Å; L722-L801 HydrophobicContact CD1-CD2 3.95Å; L722-L801 HydrophobicContact CD2-CD2 4.41Å; L722-W829 HydrophobicContact CD2-CZ3 4.03Å; L722-Y840 HydrophobicContact CD2-CE1 4.32Å; L722-L843 HydrophobicContact CD2-CD2 3.97Å
723	L	84.9	Confident	77	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-62.9	-44.5	-173.1	-65.8	173.9	0	0	0	112.4	L708 V718 E719 K725 L726 D727 F730 F740	L708-L723 HydrophobicContact CD1-CD2 3.36Å; L708-L723 HydrophobicContact CD1-CG 4.48Å; V718-L723 HydrophobicContact CG1-CD1 4.47Å; V718-L723 HydrophobicContact CG1-CG 4.26Å; V718-L723 PolarHBondContact O-N 3.15Å; E719-L723 HydrophobicContact CB-CD1 4.47Å; L723-K725 PolarHBondContact O-N 3.41Å; L723-K725 VanDerWaalsContact O-N 3.12Å; L723-L726 PolarHBondContact O-N 2.91Å; L723-D727 HydrophobicContact CB-CB 4.42Å; L723-D727 HydrophobicContact CD2-CB 3.94Å; L723-D727 PolarHBondContact O-N 2.87Å; L723-F730 HydrophobicContact CB-CD2 4.12Å; L723-F730 HydrophobicContact CB-CG 4.48Å; L723-F740 HydrophobicContact CD1-CE1 4.03Å; L723-F740 HydrophobicContact CD1-CZ 4.03Å; L723-F740 HydrophobicContact CD2-CD1 4.13Å; L723-F740 HydrophobicContact CD2-CE1 3.89Å
724	K	80.1	Confident	75.4	Confident	122 Å²	122	71.3 Å²	71.3	53%	0.53	34%	0.337	S	S	.	.	H	α-helix	trans	-59.1	-21.8	175.5	-79.6	-174	179.5	-173.5	0	115.1	E719 L722 F730 A731	E719-K724 WeakPolarHBondContact O-CG 3.5Å; E719-K724 PolarHBondContact O-N 2.92Å; E719-K724 VanDerWaalsContact O-N 3.11Å; L722-K724 PolarHBondContact O-N 3.24Å; K724-F730 HydrophobicContact CG-CB 4.42Å; K724-A731 WeakPolarHBondContact O-CA 3.41Å; K724-A731 WeakPolarHBondContact O-CB 3.39Å
725	K	76.4	Confident	74.1	Confident	87 Å²	87	73.5 Å²	73.5	38%	0.378	35%	0.348	S	S	.	.	H	α-helix	trans	-102.4	-27.8	178.8	-82.7	-124.8	-176.6	-175	0	113.1	L722 L723 L735 E837 Y840	L722-K725 PolarHBondContact O-N 3.11Å; L722-K725 VanDerWaalsContact O-N 3.08Å; L723-K725 PolarHBondContact O-N 3.41Å; L723-K725 VanDerWaalsContact O-N 3.12Å; K725-L735 VanDerWaalsContact O-CD1 3.23Å; K725-L735 WeakPolarHBondContact O-CD1 3.2Å; K725-E837 IonicContact NZ-OE2 3.85Å; K725-E837 PolarHBondContact NZ-OE2 3.42Å; K725-Y840 HydrophobicContact CB-CE1 4.16Å; K725-Y840 HydrophobicContact CD-CD1 4.42Å; K725-Y840 HydrophobicContact CD-CD2 4.03Å; K725-Y840 HydrophobicContact CD-CE1 4.1Å; K725-Y840 HydrophobicContact CD-CE2 3.72Å; K725-Y840 HydrophobicContact CD-CG 4.4Å; K725-Y840 HydrophobicContact CG-CE1 4.39Å
726	L	77.6	Confident	73.6	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-113.5	-30.8	-168.4	-62	175.7	0	0	0	114.3	L722 L723 F736 L843 V844	L722-L726 HydrophobicContact CB-CD1 4.23Å; L722-L726 HydrophobicContact CD2-CD1 3.86Å; L722-L726 VanDerWaalsContact O-CB 3.31Å; L722-L726 WeakPolarHBondContact O-CB 3.36Å; L722-L726 WeakPolarHBondContact O-CG 3.46Å; L722-L726 PolarHBondContact O-N 3.05Å; L723-L726 PolarHBondContact O-N 2.91Å; L726-F736 HydrophobicContact CD2-CD2 4.29Å; L726-F736 HydrophobicContact CD2-CE2 4.37Å; L726-F736 WeakPolarHBondContact O-CB 3.14Å; L726-F736 PolarHBondContact O-N 2.98Å; L726-L843 HydrophobicContact CD1-CD2 3.83Å; L726-V844 HydrophobicContact CD2-CG2 4.19Å
727	D	79.9	Confident	73.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-93.5	134.2	-173.8	-173.4	74.8	0	0	0	112.1	L723 Q729 F730 A731 F736 C738 R743	L723-D727 HydrophobicContact CB-CB 4.42Å; L723-D727 HydrophobicContact CD2-CB 3.94Å; L723-D727 PolarHBondContact O-N 2.87Å; D727-Q729 PolarHBondContact O-N 2.92Å; D727-Q729 VanDerWaalsContact O-N 3.08Å; D727-Q729 PolarHBondContact OD2-N 3.49Å; D727-F730 HydrophobicContact CB-CD2 4.09Å; D727-F730 PolarHBondContact O-N 2.97Å; D727-F730 VanDerWaalsContact OD2-CD2 3.3Å; D727-F730 WeakPolarHBondContact OD2-CD2 3.34Å; D727-A731 WeakPolarHBondContact O-CB 3.31Å; D727-A731 PolarHBondContact O-N 3.12Å; D727-F736 WeakPolarHBondContact CA-O 3.41Å; D727-C738 HydrophobicContact CB-CB 4.4Å; D727-C738 VanDerWaalsContact OD1-CB 3.29Å; D727-C738 WeakPolarHBondContact OD1-CB 3.24Å; D727-C738 PolarHBondContact OD1-N 3.05Å; D727-C738 VanDerWaalsContact OD1-N 3.13Å; D727-R743 IonicContact OD1-CZ 3.64Å; D727-R743 IonicContact OD1-NH1 2.71Å; D727-R743 IonicContact OD1-NH2 3.59Å; D727-R743 PolarHBondContact OD1-NH2 3.17Å; D727-R743 IonicContact OD2-CZ 3.47Å; D727-R743 IonicContact OD2-NH1 3.24Å; D727-R743 PolarHBondContact OD2-NH1 3.35Å; D727-R743 IonicContact OD2-NH2 3.43Å; D727-R743 PolarHBondContact OD2-NH2 3.02Å
728	N	65.8	Low	73.3	Confident	56 Å²	56	59.7 Å²	59.7	30%	0.299	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18	-174.8	86.7	-7.3	0	0	0	115.5	N734 F736	N728-N734 HydrophobicContact CB-CB 4.25Å; N728-N734 WeakPolarHBondContact CB-OD1 3.25Å; N728-N734 PolarHBondContact O-OD1 2.79Å; N728-F736 PolarHBondContact N-O 3.03Å
729	Q	56.8	Low	73.2	Confident	125 Å²	125	59.9 Å²	59.9	58%	0.584	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-17.8	177.4	-73.9	178.9	7.6	0	0	112.8	D727	D727-Q729 PolarHBondContact O-N 2.92Å; D727-Q729 VanDerWaalsContact O-N 3.08Å; D727-Q729 PolarHBondContact OD2-N 3.49Å
730	F	55.9	Low	73.4	Confident	75 Å²	75	57.2 Å²	57.2	33%	0.329	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-13.3	-174.4	-62.4	-82.7	0	0	0	113.6	L723 K724 D727	L723-F730 HydrophobicContact CB-CD2 4.12Å; L723-F730 HydrophobicContact CB-CG 4.48Å; K724-F730 HydrophobicContact CG-CB 4.42Å; D727-F730 HydrophobicContact CB-CD2 4.09Å; D727-F730 PolarHBondContact O-N 2.97Å; D727-F730 VanDerWaalsContact OD2-CD2 3.3Å; D727-F730 WeakPolarHBondContact OD2-CD2 3.34Å
731	A	55.1	Low	73.5	Confident	17 Å²	17	58.1 Å²	58.1	14%	0.14	28%	0.281	C	S	.	.			trans	-109.4	142.9	176.9	0	0	0	0	0	111.3	K724 D727 E733	K724-A731 WeakPolarHBondContact O-CA 3.41Å; K724-A731 WeakPolarHBondContact O-CB 3.39Å; D727-A731 WeakPolarHBondContact O-CB 3.31Å; D727-A731 PolarHBondContact O-N 3.12Å; A731-E733 VanDerWaalsContact C-N 3.31Å
732	E	50.8	Low	73.4	Confident	202 Å²	202	60.9 Å²	60.9	94%	0.944	30%	0.304	S	S	*	.	S	Bend	trans	-72.1	-25.8	175.9	-67.6	-177.1	168.2	0	0	112.5
733	E	55	Low	73.3	Confident	153 Å²	153	64 Å²	64	72%	0.715	32%	0.315	S	S	*	.	S	Bend	trans	-102.8	109.7	172.8	-64.8	-175.6	179.7	0	0	109.5	A731 L735	A731-E733 VanDerWaalsContact C-N 3.31Å; E733-L735 PolarHBondContact O-N 3.44Å
734	N	53.5	Low	73.4	Confident	125 Å²	125	65.8 Å²	65.8	67%	0.668	33%	0.325	S	S	*	.			trans	-65.2	84.6	-175.4	-67.2	-59.4	0	0	0	112.8	N728	N728-N734 HydrophobicContact CB-CB 4.25Å; N728-N734 WeakPolarHBondContact CB-OD1 3.25Å; N728-N734 PolarHBondContact O-OD1 2.79Å
735	L	64.3	Low	73.8	Confident	81 Å²	81	61.3 Å²	61.3	42%	0.424	31%	0.305	S	S	.	.			trans	-82	-51.6	-176.7	-84.7	148.4	0	0	0	114.1	K725 E733	K725-L735 VanDerWaalsContact O-CD1 3.23Å; K725-L735 WeakPolarHBondContact O-CD1 3.2Å; E733-L735 PolarHBondContact O-N 3.44Å
736	F	78.8	Confident	74.1	Confident	10 Å²	10	62.6 Å²	62.6	4%	0.044	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-143.9	149.3	179.5	-63.8	-60.2	0	0	0	113	D705 L726 D727 N728 V844 I847 L848	D705-F736 HydrophobicContact CB-CB 3.98Å; D705-F736 HydrophobicContact CB-CD1 3.72Å; D705-F736 HydrophobicContact CB-CG 4.23Å; L726-F736 HydrophobicContact CD2-CD2 4.29Å; L726-F736 HydrophobicContact CD2-CE2 4.37Å; L726-F736 WeakPolarHBondContact O-CB 3.14Å; L726-F736 PolarHBondContact O-N 2.98Å; D727-F736 WeakPolarHBondContact CA-O 3.41Å; N728-F736 PolarHBondContact N-O 3.03Å; F736-V844 HydrophobicContact CE2-CB 4.39Å; F736-V844 HydrophobicContact CE2-CG1 4.31Å; F736-V844 HydrophobicContact CE2-CG2 3.98Å; F736-V844 HydrophobicContact CZ-CB 4.42Å; F736-V844 HydrophobicContact CZ-CG1 3.97Å; F736-V844 HydrophobicContact CZ-CG2 4.46Å; F736-I847 HydrophobicContact CD1-CG2 4.3Å; F736-I847 HydrophobicContact CD2-CD1 4.46Å; F736-I847 HydrophobicContact CE1-CG2 3.8Å; F736-I847 HydrophobicContact CE2-CB 4.37Å; F736-I847 HydrophobicContact CE2-CD1 4.03Å; F736-I847 HydrophobicContact CE2-CG2 4.21Å; F736-I847 HydrophobicContact CZ-CB 4.01Å; F736-I847 HydrophobicContact CZ-CG2 3.74Å; F736-L848 HydrophobicContact CE1-CD2 3.72Å; F736-L848 HydrophobicContact CE1-CG 3.96Å; F736-L848 HydrophobicContact CZ-CD1 4.39Å; F736-L848 HydrophobicContact CZ-CD2 4.26Å; F736-L848 HydrophobicContact CZ-CG 3.97Å
737	H	83.4	Confident	74.1	Confident	56 Å²	56	68.8 Å²	68.8	26%	0.259	36%	0.356	S	S	.	.			trans	-89.6	104.3	165.3	-167.5	49.6	0	0	0	110.3	Q703 Y704 D705	Q703-H737 PolarHBondContact O-CD2 2.89Å; Q703-H737 VanDerWaalsContact O-CD2 3.29Å; Y704-H737 WeakPolarHBondContact CB-O 3.49Å; Y704-H737 AromaticContact CD1-CD2 3.23Å; Y704-H737 WeakPolarHBondContact CD1-CD2 3.29Å; Y704-H737 AromaticContact CD1-CG 3.97Å; Y704-H737 AromaticContact CD1-NE2 3.42Å; Y704-H737 WeakPolarHBondContact CD1-NE2 3.27Å; Y704-H737 AromaticContact CE1-CD2 3.61Å; Y704-H737 AromaticContact CE1-CE1 3.95Å; Y704-H737 AromaticContact CE1-NE2 3.22Å; Y704-H737 WeakPolarHBondContact CE1-NE2 3.44Å; D705-H737 PolarHBondContact N-O 2.97Å; D705-H737 PolarHBondContact OD2-N 3.07Å
738	C	88.3	Confident	73.8	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.02	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.1	-174.3	-56.8	0	0	0	0	112.7	A706 L708 D727 R743	A706-C738 CarbonylContact O-C 3.32Å; A706-C738 VanDerWaalsContact O-CA 3.25Å; A706-C738 WeakPolarHBondContact O-CA 3.48Å; L708-C738 HydrophobicContact CD1-CB 3.64Å; L708-C738 HydrophobicContact CG-CB 4.35Å; D727-C738 HydrophobicContact CB-CB 4.4Å; D727-C738 VanDerWaalsContact OD1-CB 3.29Å; D727-C738 WeakPolarHBondContact OD1-CB 3.24Å; D727-C738 PolarHBondContact OD1-N 3.05Å; D727-C738 VanDerWaalsContact OD1-N 3.13Å; C738-R743 PolarHBondContact O-NH2 3.01Å
739	C	89.3	Confident	74.7	Confident	4 Å²	4	75.9 Å²	75.9	3%	0.027	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.9	171.9	-179.8	0	0	0	0	110.4	Y704 A706 F707 L708 D744	Y704-C739 HydrophobicContact CD1-CB 3.68Å; Y704-C739 HydrophobicContact CD2-CB 3.82Å; Y704-C739 HydrophobicContact CE1-CB 3.95Å; Y704-C739 HydrophobicContact CE2-CB 4.1Å; Y704-C739 HydrophobicContact CG-CB 3.62Å; A706-C739 PolarHBondContact O-N 2.91Å; F707-C739 HydrophobicContact CD2-CB 4.13Å; F707-C739 VanDerWaalsContact CD2-O 3.29Å; F707-C739 WeakPolarHBondContact CD2-O 3.38Å; L708-C739 PolarHBondContact N-O 3.16Å; C739-D744 WeakPolarHBondContact CA-OD2 3.44Å
740	F	89.9	Confident	76.1	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.018	41%	0.405	C	S	.	.			trans	-154.3	159	169.4	59.1	-88.8	0	0	0	113.9	L708 F710 Y715 L723 A742 R743 D744	L708-F740 HydrophobicContact CB-CB 4.24Å; F710-F740 HydrophobicContact CE1-CB 3.88Å; F710-F740 HydrophobicContact CE1-CG 4.33Å; F710-F740 HydrophobicContact CZ-CB 4.42Å; F710-F740 HydrophobicContact CZ-CD2 4.32Å; Y715-F740 HydrophobicContact CE2-CE2 4.17Å; L723-F740 HydrophobicContact CD1-CE1 4.03Å; L723-F740 HydrophobicContact CD1-CZ 4.03Å; L723-F740 HydrophobicContact CD2-CD1 4.13Å; L723-F740 HydrophobicContact CD2-CE1 3.89Å; F740-A742 HydrophobicContact CD2-CB 4.17Å; F740-A742 HydrophobicContact CE2-CB 4.18Å; F740-A742 PolarHBondContact O-N 2.8Å; F740-R743 HydrophobicContact CD2-CB 4.13Å; F740-R743 HydrophobicContact CE1-CB 4.32Å; F740-R743 HydrophobicContact CE2-CB 3.55Å; F740-R743 HydrophobicContact CZ-CB 3.66Å; F740-R743 HydrophobicContact CZ-CG 4.45Å; F740-R743 PolarHBondContact O-N 2.81Å; F740-D744 PolarHBondContact N-OD2 2.79Å; F740-D744 PolarHBondContact O-N 2.78Å
741	E	87.3	Confident	77.3	Confident	83 Å²	83	72.7 Å²	72.7	39%	0.388	40%	0.399	S	S	.	.	H	α-helix	trans	-52.8	-49.2	-169.5	179.4	-177.9	164.6	0	0	114.4	R743 F745 H751	E741-R743 PolarHBondContact O-N 2.75Å; E741-R743 VanDerWaalsContact O-N 3.15Å; E741-F745 HydrophobicContact CB-CD2 4.12Å; E741-F745 HydrophobicContact CB-CE1 4.41Å; E741-F745 HydrophobicContact CB-CE2 3.99Å; E741-F745 HydrophobicContact CB-CG 4.4Å; E741-F745 HydrophobicContact CB-CZ 4.14Å; E741-F745 HydrophobicContact CG-CD2 3.65Å; E741-F745 HydrophobicContact CG-CE2 3.76Å; E741-F745 HydrophobicContact CG-CG 4.23Å; E741-F745 HydrophobicContact CG-CZ 4.42Å; E741-F745 WeakPolarHBondContact O-CB 3.41Å; E741-H751 IonicContact OE1-CE1 2.86Å; E741-H751 PolarHBondContact OE1-CE1 2.82Å; E741-H751 VanDerWaalsContact OE1-CE1 3.23Å; E741-H751 IonicContact OE1-NE2 2.78Å
742	A	81.7	Confident	78.8	Confident	70 Å²	70	75 Å²	75	58%	0.579	41%	0.409	S	S	*	.	H	α-helix	trans	-67.6	-16.4	-172.8	0	0	0	0	0	114.6	F740	F740-A742 HydrophobicContact CD2-CB 4.17Å; F740-A742 HydrophobicContact CE2-CB 4.18Å; F740-A742 PolarHBondContact O-N 2.8Å
743	R	85.8	Confident	80.4	Confident	66 Å²	66	67.5 Å²	67.5	25%	0.249	38%	0.379	C	S	.	.	H	α-helix	trans	-114.6	-46.9	-175.8	-176.9	175	71.6	-172.7	-5.7	112.8	D727 C738 F740 E741	D727-R743 IonicContact OD1-CZ 3.64Å; D727-R743 IonicContact OD1-NH1 2.71Å; D727-R743 IonicContact OD1-NH2 3.59Å; D727-R743 PolarHBondContact OD1-NH2 3.17Å; D727-R743 IonicContact OD2-CZ 3.47Å; D727-R743 IonicContact OD2-NH1 3.24Å; D727-R743 PolarHBondContact OD2-NH1 3.35Å; D727-R743 IonicContact OD2-NH2 3.43Å; D727-R743 PolarHBondContact OD2-NH2 3.02Å; C738-R743 PolarHBondContact O-NH2 3.01Å; F740-R743 HydrophobicContact CD2-CB 4.13Å; F740-R743 HydrophobicContact CE1-CB 4.32Å; F740-R743 HydrophobicContact CE2-CB 3.55Å; F740-R743 HydrophobicContact CZ-CB 3.66Å; F740-R743 HydrophobicContact CZ-CG 4.45Å; F740-R743 PolarHBondContact O-N 2.81Å; E741-R743 PolarHBondContact O-N 2.75Å; E741-R743 VanDerWaalsContact O-N 3.15Å
744	D	85.4	Confident	82	Confident	38 Å²	38	60.9 Å²	60.9	20%	0.203	35%	0.349	C	S	.	.	H	α-helix	trans	-103.8	-10.1	-162.1	-58.5	-60.9	0	0	0	113.7	C739 F740	C739-D744 WeakPolarHBondContact CA-OD2 3.44Å; F740-D744 PolarHBondContact N-OD2 2.79Å; F740-D744 PolarHBondContact O-N 2.78Å
745	F	89.4	Confident	83.7	Confident	27 Å²	27	55.2 Å²	55.2	12%	0.118	32%	0.318	C	S	.	.	S	Bend	trans	-74.6	133.1	178.7	-78.2	19.3	0	0	0	111	F707 E741 P747 H751 N754 I755 A758	F707-F745 HydrophobicContact CE2-CE1 4.11Å; F707-F745 HydrophobicContact CE2-CZ 4.32Å; F707-F745 HydrophobicContact CZ-CE1 4.47Å; F707-F745 HydrophobicContact CZ-CZ 4.26Å; E741-F745 HydrophobicContact CB-CD2 4.12Å; E741-F745 HydrophobicContact CB-CE1 4.41Å; E741-F745 HydrophobicContact CB-CE2 3.99Å; E741-F745 HydrophobicContact CB-CG 4.4Å; E741-F745 HydrophobicContact CB-CZ 4.14Å; E741-F745 HydrophobicContact CG-CD2 3.65Å; E741-F745 HydrophobicContact CG-CE2 3.76Å; E741-F745 HydrophobicContact CG-CG 4.23Å; E741-F745 HydrophobicContact CG-CZ 4.42Å; E741-F745 WeakPolarHBondContact O-CB 3.41Å; F745-P747 WeakPolarHBondContact O-CD 3.39Å; F745-H751 AromaticContact CD2-CE1 3.85Å; F745-H751 AromaticContact CE2-CE1 3.72Å; F745-N754 HydrophobicContact CB-CB 4.24Å; F745-N754 HydrophobicContact CD1-CB 4.04Å; F745-N754 HydrophobicContact CD2-CB 3.51Å; F745-N754 HydrophobicContact CE1-CB 4.26Å; F745-N754 HydrophobicContact CE2-CB 3.76Å; F745-N754 HydrophobicContact CG-CB 3.67Å; F745-N754 HydrophobicContact CZ-CB 4.13Å; F745-I755 HydrophobicContact CE2-CG1 3.78Å; F745-I755 HydrophobicContact CZ-CB 4.47Å; F745-I755 HydrophobicContact CZ-CG1 3.71Å; F745-A758 HydrophobicContact CE1-CB 3.96Å
746	L	82.3	Confident	84.8	Confident	114 Å²	114	56.7 Å²	56.7	60%	0.597	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-77.1	120.4	-176.7	-67.3	173.6	0	0	0	110.5	G748 E749 N754	L746-G748 PolarHBondContact O-N 2.84Å; L746-E749 HydrophobicContact CB-CB 4.44Å; L746-E749 HydrophobicContact CB-CG 4.11Å; L746-E749 PolarHBondContact O-N 3.17Å; L746-N754 PolarHBondContact N-OD1 3.31Å; L746-N754 PolarHBondContact O-ND2 3.02Å
747	P	76.9	Confident	85.2	Confident	135 Å²	135	61.3 Å²	61.3	88%	0.877	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	122.8	178.1	-19.1	31.4	0	0	0	111.1	F745	F745-P747 WeakPolarHBondContact O-CD 3.39Å
748	G	75.4	Confident	85.5	Confident	85 Å²	85	59 Å²	59	88%	0.876	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.6	-11.2	179.4	0	0	0	0	0	114.9	L746	L746-G748 PolarHBondContact O-N 2.84Å
749	E	83.9	Confident	85.6	Confident	120 Å²	120	58.8 Å²	58.8	56%	0.561	34%	0.336	S	S	*	.	S	Bend	trans	-84.8	154	169.9	-73.5	-60.4	149	0	0	111.7	L746 N754	L746-E749 HydrophobicContact CB-CB 4.44Å; L746-E749 HydrophobicContact CB-CG 4.11Å; L746-E749 PolarHBondContact O-N 3.17Å; E749-N754 WeakPolarHBondContact CB-ND2 3.33Å
750	D	85.1	Confident	85.5	Confident	89 Å²	89	62.8 Å²	62.8	48%	0.476	35%	0.35	S	S	.	.			trans	-62	137.2	175.9	171.1	71.5	0	0	0	110.9	L752 S753 N754	D750-L752 VanDerWaalsContact C-N 3.33Å; D750-L752 PolarHBondContact O-N 2.9Å; D750-L752 VanDerWaalsContact OD2-CB 3.31Å; D750-L752 WeakPolarHBondContact OD2-CB 3.43Å; D750-L752 PolarHBondContact OD2-N 2.99Å; D750-S753 WeakPolarHBondContact O-CA 3.2Å; D750-S753 WeakPolarHBondContact O-CB 3.49Å; D750-S753 PolarHBondContact O-N 2.9Å; D750-S753 PolarHBondContact OD2-N 2.94Å; D750-S753 VanDerWaalsContact OD2-N 3.13Å; D750-S753 PolarHBondContact OD2-OG 3Å; D750-N754 PolarHBondContact O-N 2.98Å; D750-N754 PolarHBondContact O-ND2 2.95Å
751	H	82.1	Confident	85.3	Confident	44 Å²	44	63.5 Å²	63.5	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-35.9	-170.6	-163.7	77.3	0	0	0	112.4	E741 F745 S753 N754 I755 W778	E741-H751 IonicContact OE1-CE1 2.86Å; E741-H751 PolarHBondContact OE1-CE1 2.82Å; E741-H751 VanDerWaalsContact OE1-CE1 3.23Å; E741-H751 IonicContact OE1-NE2 2.78Å; F745-H751 AromaticContact CD2-CE1 3.85Å; F745-H751 AromaticContact CE2-CE1 3.72Å; H751-S753 VanDerWaalsContact C-N 3.31Å; H751-N754 PolarHBondContact O-N 3.07Å; H751-I755 WeakPolarHBondContact O-CG1 3.39Å; H751-I755 PolarHBondContact O-N 3Å; H751-I755 VanDerWaalsContact O-N 3.08Å; H751-W778 HydrophobicContact CB-CH2 4.17Å; H751-W778 HydrophobicContact CB-CZ2 4.15Å; H751-W778 AromaticContact CD2-CD1 3.97Å; H751-W778 AromaticContact CD2-CD2 3.4Å; H751-W778 AromaticContact CD2-CE2 3.64Å; H751-W778 AromaticContact CD2-CE3 3.7Å; H751-W778 AromaticContact CD2-CG 3.64Å; H751-W778 AromaticContact CD2-NE1 3.98Å; H751-W778 AromaticContact NE2-CG 3.84Å
752	L	85.7	Confident	85.4	Confident	65 Å²	65	59.5 Å²	59.5	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-35.6	174.4	-171	65.7	0	0	0	111.3	D750 I755 K756 W778 E781 L785	D750-L752 VanDerWaalsContact C-N 3.33Å; D750-L752 PolarHBondContact O-N 2.9Å; D750-L752 VanDerWaalsContact OD2-CB 3.31Å; D750-L752 WeakPolarHBondContact OD2-CB 3.43Å; D750-L752 PolarHBondContact OD2-N 2.99Å; L752-I755 PolarHBondContact O-N 2.8Å; L752-K756 WeakPolarHBondContact O-CB 3.36Å; L752-K756 PolarHBondContact O-N 3.21Å; L752-W778 HydrophobicContact CB-CZ3 4Å; L752-W778 HydrophobicContact CD1-CZ3 4.21Å; L752-E781 HydrophobicContact CD1-CG 3.72Å; L752-L785 HydrophobicContact CD1-CD1 3.8Å
753	S	84.9	Confident	85.6	Confident	46 Å²	46	58.3 Å²	58.3	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-43.8	176.1	-56.2	0	0	0	0	111.4	D750 H751 I755 K756 D757	D750-S753 WeakPolarHBondContact O-CA 3.2Å; D750-S753 WeakPolarHBondContact O-CB 3.49Å; D750-S753 PolarHBondContact O-N 2.9Å; D750-S753 PolarHBondContact OD2-N 2.94Å; D750-S753 VanDerWaalsContact OD2-N 3.13Å; D750-S753 PolarHBondContact OD2-OG 3Å; H751-S753 VanDerWaalsContact C-N 3.31Å; S753-I755 PolarHBondContact O-N 2.69Å; S753-K756 WeakPolarHBondContact O-CB 3.48Å; S753-K756 PolarHBondContact O-N 3.31Å; S753-D757 VanDerWaalsContact O-CG 3.32Å; S753-D757 PolarHBondContact O-N 3.09Å
754	N	89.2	Confident	85.8	Confident	14 Å²	14	55.2 Å²	55.2	8%	0.075	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-44	172.8	-83.3	-60.2	0	0	0	112.7	F745 L746 E749 D750 H751 K756 D757 A758	F745-N754 HydrophobicContact CB-CB 4.24Å; F745-N754 HydrophobicContact CD1-CB 4.04Å; F745-N754 HydrophobicContact CD2-CB 3.51Å; F745-N754 HydrophobicContact CE1-CB 4.26Å; F745-N754 HydrophobicContact CE2-CB 3.76Å; F745-N754 HydrophobicContact CG-CB 3.67Å; F745-N754 HydrophobicContact CZ-CB 4.13Å; L746-N754 PolarHBondContact N-OD1 3.31Å; L746-N754 PolarHBondContact O-ND2 3.02Å; E749-N754 WeakPolarHBondContact CB-ND2 3.33Å; D750-N754 PolarHBondContact O-N 2.98Å; D750-N754 PolarHBondContact O-ND2 2.95Å; H751-N754 PolarHBondContact O-N 3.07Å; N754-K756 VanDerWaalsContact C-N 3.33Å; N754-K756 PolarHBondContact O-N 2.75Å; N754-D757 PolarHBondContact O-N 2.86Å; N754-A758 VanDerWaalsContact O-CB 3.31Å; N754-A758 WeakPolarHBondContact O-CB 3.36Å; N754-A758 PolarHBondContact O-N 3.02Å
755	I	87.9	Confident	86.1	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-43.6	176.1	-69.6	167.3	0	0	0	110.6	F745 H751 L752 S753 A758 I759 W778 A782 L785	F745-I755 HydrophobicContact CE2-CG1 3.78Å; F745-I755 HydrophobicContact CZ-CB 4.47Å; F745-I755 HydrophobicContact CZ-CG1 3.71Å; H751-I755 WeakPolarHBondContact O-CG1 3.39Å; H751-I755 PolarHBondContact O-N 3Å; H751-I755 VanDerWaalsContact O-N 3.08Å; L752-I755 PolarHBondContact O-N 2.8Å; S753-I755 PolarHBondContact O-N 2.69Å; I755-A758 PolarHBondContact O-N 3.23Å; I755-I759 HydrophobicContact CG2-CD1 3.8Å; I755-I759 HydrophobicContact CG2-CG1 4.49Å; I755-I759 VanDerWaalsContact O-CG1 3.28Å; I755-I759 WeakPolarHBondContact O-CG1 3.38Å; I755-I759 PolarHBondContact O-N 3.36Å; I755-W778 HydrophobicContact CD1-CB 4.26Å; I755-W778 HydrophobicContact CD1-CE3 3.95Å; I755-A782 HydrophobicContact CG2-CB 3.55Å; I755-L785 HydrophobicContact CG2-CD1 4.04Å
756	K	88.5	Confident	86.3	Confident	111 Å²	111	52.2 Å²	52.2	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-49.9	177.4	-169.8	-173.2	177.8	-178.6	0	110.7	L752 S753 N754 A758 I759 W760	L752-K756 WeakPolarHBondContact O-CB 3.36Å; L752-K756 PolarHBondContact O-N 3.21Å; S753-K756 WeakPolarHBondContact O-CB 3.48Å; S753-K756 PolarHBondContact O-N 3.31Å; N754-K756 VanDerWaalsContact C-N 3.33Å; N754-K756 PolarHBondContact O-N 2.75Å; K756-A758 VanDerWaalsContact C-N 3.29Å; K756-A758 PolarHBondContact O-N 3.28Å; K756-I759 PolarHBondContact O-N 3.18Å; K756-W760 HydrophobicContact CB-CE3 4.42Å; K756-W760 HydrophobicContact CB-CZ3 4.31Å; K756-W760 HydrophobicContact CD-CZ3 4.46Å; K756-W760 HydrophobicContact CG-CD2 4.4Å; K756-W760 HydrophobicContact CG-CE3 3.53Å; K756-W760 HydrophobicContact CG-CH2 4.21Å; K756-W760 HydrophobicContact CG-CZ3 3.41Å; K756-W760 VanDerWaalsContact CG-CZ3 3.41Å; K756-W760 PolarHBondContact O-N 2.93Å
757	D	87.6	Confident	86.9	Confident	107 Å²	107	46.8 Å²	46.8	57%	0.572	27%	0.266	S	S	*	.	H	α-helix	trans	-63.8	-37	-179.2	-67.5	-18.4	0	0	0	111.4	S753 N754 G761	S753-D757 VanDerWaalsContact O-CG 3.32Å; S753-D757 PolarHBondContact O-N 3.09Å; N754-D757 PolarHBondContact O-N 2.86Å; D757-G761 WeakPolarHBondContact O-CA 3.44Å; D757-G761 PolarHBondContact O-N 2.94Å
758	A	89.4	Confident	87.7	Confident	7 Å²	7	40.4 Å²	40.4	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-41.4	174.1	0	0	0	0	0	112.8	F707 F745 N754 I755 K756 S762	F707-A758 HydrophobicContact CD1-CB 4.3Å; F707-A758 HydrophobicContact CD2-CB 3.63Å; F707-A758 HydrophobicContact CE1-CB 4.35Å; F707-A758 HydrophobicContact CE2-CB 3.7Å; F707-A758 HydrophobicContact CG-CB 3.98Å; F707-A758 HydrophobicContact CZ-CB 4.07Å; F745-A758 HydrophobicContact CE1-CB 3.96Å; N754-A758 VanDerWaalsContact O-CB 3.31Å; N754-A758 WeakPolarHBondContact O-CB 3.36Å; N754-A758 PolarHBondContact O-N 3.02Å; I755-A758 PolarHBondContact O-N 3.23Å; K756-A758 VanDerWaalsContact C-N 3.29Å; K756-A758 PolarHBondContact O-N 3.28Å; A758-S762 VanDerWaalsContact O-CB 3.26Å; A758-S762 WeakPolarHBondContact O-CB 3.3Å; A758-S762 PolarHBondContact O-N 3.39Å; A758-S762 PolarHBondContact O-OG 3.33Å
759	I	89.1	Confident	88.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-50.2	177.1	-70.6	167.2	0	0	0	110.3	F707 I755 K756 S762 T765 L785 A786 R789	F707-I759 HydrophobicContact CD1-CG1 3.7Å; F707-I759 HydrophobicContact CE1-CG1 3.87Å; I755-I759 HydrophobicContact CG2-CD1 3.8Å; I755-I759 HydrophobicContact CG2-CG1 4.49Å; I755-I759 VanDerWaalsContact O-CG1 3.28Å; I755-I759 WeakPolarHBondContact O-CG1 3.38Å; I755-I759 PolarHBondContact O-N 3.36Å; K756-I759 PolarHBondContact O-N 3.18Å; I759-S762 PolarHBondContact O-N 2.94Å; I759-T765 HydrophobicContact CG1-CG2 4.5Å; I759-L785 HydrophobicContact CD1-CB 3.68Å; I759-L785 HydrophobicContact CD1-CD1 4.43Å; I759-A786 HydrophobicContact CD1-CB 4.27Å; I759-R789 PolarHBondContact O-NH1 3.15Å
760	W	88.1	Confident	89	Confident	88 Å²	88	31 Å²	31	33%	0.333	16%	0.158	S	C	.	.	H	α-helix	trans	-79.1	-21.7	-177.5	-84.8	-97	0	0	0	113.6	W702 K756 S762 R789	W702-W760 WeakPolarHBondContact CZ3-O 3.45Å; K756-W760 HydrophobicContact CB-CE3 4.42Å; K756-W760 HydrophobicContact CB-CZ3 4.31Å; K756-W760 HydrophobicContact CD-CZ3 4.46Å; K756-W760 HydrophobicContact CG-CD2 4.4Å; K756-W760 HydrophobicContact CG-CE3 3.53Å; K756-W760 HydrophobicContact CG-CH2 4.21Å; K756-W760 HydrophobicContact CG-CZ3 3.41Å; K756-W760 VanDerWaalsContact CG-CZ3 3.41Å; K756-W760 PolarHBondContact O-N 2.93Å; W760-S762 VanDerWaalsContact C-N 3.3Å; W760-R789 HydrophobicContact CZ2-CB 4.43Å
761	G	85.3	Confident	89.2	Confident	18 Å²	18	31.3 Å²	31.3	19%	0.186	16%	0.155	C	C	.	.	H	α-helix	trans	-78.3	-13	172.8	0	0	0	0	0	113.8	Q703 Y704 D757	Q703-G761 PolarHBondContact N-O 3.02Å; Y704-G761 PolarHBondContact N-O 3.28Å; Y704-G761 VanDerWaalsContact N-O 3.08Å; D757-G761 WeakPolarHBondContact O-CA 3.44Å; D757-G761 PolarHBondContact O-N 2.94Å
762	S	89.7	Confident	89.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.4	-177.7	-57.1	0	0	0	0	113	Y704 F707 A758 I759 W760 K764 R789	Y704-S762 WeakPolarHBondContact CB-OG 3.35Å; Y704-S762 CarbonylContact O-C 3.44Å; Y704-S762 VanDerWaalsContact O-CA 3.3Å; Y704-S762 WeakPolarHBondContact O-CA 3.33Å; F707-S762 WeakPolarHBondContact CB-OG 3.42Å; F707-S762 PolarHBondContact N-OG 3.28Å; A758-S762 VanDerWaalsContact O-CB 3.26Å; A758-S762 WeakPolarHBondContact O-CB 3.3Å; A758-S762 PolarHBondContact O-N 3.39Å; A758-S762 PolarHBondContact O-OG 3.33Å; I759-S762 PolarHBondContact O-N 2.94Å; W760-S762 VanDerWaalsContact C-N 3.3Å; S762-K764 WeakPolarHBondContact CB-O 2.95Å; S762-R789 PolarHBondContact O-NH1 2.89Å
763	R	85.9	Confident	89.9	Confident	44 Å²	44	29.4 Å²	29.4	17%	0.166	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-37.4	176.1	179.5	170.2	177.3	-94.3	-3.7	112.9	W702 Y704 D705 I847 L848 D850	W702-R763 HydrophobicContact CB-CB 4.34Å; W702-R763 HydrophobicContact CG-CB 4.02Å; Y704-R763 PolarHBondContact O-N 3.4Å; D705-R763 WeakPolarHBondContact O-CB 3.11Å; R763-I847 PolarHBondContact NH1-O 3.38Å; R763-L848 VanDerWaalsContact NH1-CA 3.34Å; R763-L848 PolarHBondContact NH1-O 3.35Å; R763-L848 PolarHBondContact NH2-O 2.88Å; R763-D850 IonicContact CZ-OD1 3.09Å; R763-D850 IonicContact CZ-OD2 3.43Å; R763-D850 IonicContact NE-OD1 3.83Å; R763-D850 IonicContact NE-OD2 3.48Å; R763-D850 IonicContact NH2-OD1 3.16Å; R763-D850 PolarHBondContact NH2-OD1 3.1Å; R763-D850 IonicContact NH2-OD2 3.71Å; R763-D850 PolarHBondContact NH2-OD2 2.64Å
764	K	90.1	Very high	90	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.8	173.1	-60.8	-65.2	-166.1	-159.4	0	111.6	D705 A706 F707 S762 N796 V797 I847 R849 D850	D705-K764 PolarHBondContact O-N 3.28Å; D705-K764 VanDerWaalsContact O-N 3.12Å; A706-K764 CarbonylContact C-O 3.46Å; A706-K764 WeakPolarHBondContact CA-O 3.05Å; F707-K764 PolarHBondContact N-O 3.43Å; S762-K764 WeakPolarHBondContact CB-O 2.95Å; K764-N796 WeakPolarHBondContact CD-O 3.38Å; K764-N796 WeakPolarHBondContact CE-O 3.43Å; K764-N796 PolarHBondContact NZ-O 3.13Å; K764-V797 CarbonylContact C-O 3.42Å; K764-V797 WeakPolarHBondContact CA-O 3.17Å; K764-I847 WeakPolarHBondContact CE-O 3.33Å; K764-I847 HydrophobicContact CG-CG2 4.25Å; K764-I847 WeakPolarHBondContact CG-O 3.35Å; K764-R849 WeakPolarHBondContact CE-O 3.45Å; K764-R849 PolarHBondContact NZ-O 2.69Å; K764-D850 IonicContact NZ-OD1 2.92Å; K764-D850 PolarHBondContact NZ-OD1 3.21Å
765	T	92.1	Very high	89.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.8	169.3	-55.7	0	0	0	0	109.2	F707 I759 A786 V797 L798 V799	F707-T765 HydrophobicContact CD1-CG2 3.68Å; F707-T765 HydrophobicContact CE1-CG2 4.39Å; F707-T765 CarbonylContact O-C 3.25Å; F707-T765 WeakPolarHBondContact O-CA 3.38Å; I759-T765 HydrophobicContact CG1-CG2 4.5Å; T765-A786 HydrophobicContact CG2-CB 3.84Å; T765-V797 PolarHBondContact N-O 2.9Å; T765-L798 HydrophobicContact CG2-CD1 4.3Å; T765-L798 WeakPolarHBondContact O-CA 3.4Å; T765-V799 PolarHBondContact O-N 3.39Å
766	L	93.7	Very high	89.9	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	107.6	176.9	179.7	60.9	0	0	0	109.5	F707 L708 C709 V799 L801 L843	F707-L766 PolarHBondContact O-N 3.49Å; L708-L766 HydrophobicContact CD2-CB 4.22Å; L708-L766 HydrophobicContact CD2-CD2 3.69Å; L708-L766 HydrophobicContact CD2-CG 4.21Å; C709-L766 PolarHBondContact N-O 2.86Å; L766-V799 WeakPolarHBondContact CA-O 3.45Å; L766-V799 HydrophobicContact CD1-CB 3.78Å; L766-V799 HydrophobicContact CD1-CG1 3.59Å; L766-L801 HydrophobicContact CD1-CB 4.1Å; L766-L843 HydrophobicContact CD1-CD1 3.97Å; L766-L843 HydrophobicContact CD2-CD1 3.98Å; L766-L843 HydrophobicContact CD2-CD2 4.35Å
767	C	94.1	Very high	89.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.9	177	-68.9	0	0	0	0	111	C709 V769 F773 F783 L798 V799 L801	C709-C767 WeakPolarHBondContact O-CA 3.4Å; C767-V769 HydrophobicContact CB-CG2 4.45Å; C767-V769 PolarHBondContact O-N 3.36Å; C767-F773 HydrophobicContact CB-CE2 4.31Å; C767-F773 HydrophobicContact CB-CZ 4.06Å; C767-F783 HydrophobicContact CB-CD2 3.67Å; C767-F783 HydrophobicContact CB-CE2 4.06Å; C767-L798 HydrophobicContact CB-CD1 4.27Å; C767-V799 PolarHBondContact N-O 3.18Å; C767-L801 PolarHBondContact O-N 3.36Å
768	I	94	Very high	89.7	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	97.3	179.8	-51.4	177.8	0	0	0	108.6	L708 C709 F710 W717 V718 L722 S770 F773 L801 V803	L708-I768 HydrophobicContact CD2-CD1 4.4Å; C709-I768 PolarHBondContact O-N 3Å; F710-I768 HydrophobicContact CB-CB 3.88Å; F710-I768 HydrophobicContact CB-CD1 3.98Å; F710-I768 HydrophobicContact CB-CG1 4.22Å; F710-I768 HydrophobicContact CD1-CD1 4.24Å; F710-I768 HydrophobicContact CG-CD1 4.35Å; W717-I768 HydrophobicContact CZ3-CG2 4.12Å; V718-I768 HydrophobicContact CB-CD1 4.39Å; V718-I768 HydrophobicContact CG1-CD1 3.84Å; V718-I768 HydrophobicContact CG2-CD1 3.62Å; L722-I768 HydrophobicContact CD1-CD1 3.41Å; L722-I768 VanDerWaalsContact CD1-CD1 3.41Å; L722-I768 HydrophobicContact CD1-CG1 4.25Å; I768-S770 PolarHBondContact O-N 3.09Å; I768-F773 WeakPolarHBondContact O-CD2 3.48Å; I768-F773 WeakPolarHBondContact O-CG 3.49Å; I768-L801 CarbonylContact C-O 3.27Å; I768-L801 WeakPolarHBondContact CA-O 3.29Å; I768-V803 HydrophobicContact CG2-CB 4.25Å; I768-V803 HydrophobicContact CG2-CG2 3.51Å
769	V	92.8	Very high	89.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.3	-172.5	-174.5	0	0	0	0	110.5	C767 F773 L774 F783 M800 L801 V802 V803 L811	C767-V769 HydrophobicContact CB-CG2 4.45Å; C767-V769 PolarHBondContact O-N 3.36Å; V769-F773 HydrophobicContact CB-CD1 4.21Å; V769-F773 HydrophobicContact CG1-CD1 3.96Å; V769-F773 HydrophobicContact CG2-CD1 3.96Å; V769-F773 HydrophobicContact CG2-CE1 3.85Å; V769-F773 HydrophobicContact CG2-CG 4.49Å; V769-F773 HydrophobicContact CG2-CZ 4.28Å; V769-L774 HydrophobicContact CG1-CD2 3.9Å; V769-L774 HydrophobicContact CG1-CG 4.14Å; V769-F783 HydrophobicContact CG2-CE2 4.44Å; V769-M800 HydrophobicContact CB-CE 4.06Å; V769-M800 HydrophobicContact CG1-CE 4.07Å; V769-M800 HydrophobicContact CG2-CE 3.91Å; V769-M800 HydrophobicContact CG2-CG 3.81Å; V769-M800 HydrophobicContact CG2-SD 4.46Å; V769-L801 PolarHBondContact N-O 3.3Å; V769-V802 WeakPolarHBondContact O-CA 3.48Å; V769-V803 PolarHBondContact O-N 2.93Å; V769-V803 VanDerWaalsContact O-N 3.09Å; V769-L811 HydrophobicContact CG1-CD2 3.72Å
770	S	92.9	Very high	89.6	Confident	7 Å²	7	35.5 Å²	35.5	5%	0.049	17%	0.174	C	C	.	.			trans	-107.9	-177.7	171.9	79.9	0	0	0	0	111.5	D714 I768 E772 F773 L774	D714-S770 VanDerWaalsContact OD2-CB 3.26Å; D714-S770 WeakPolarHBondContact OD2-CB 3.47Å; D714-S770 PolarHBondContact OD2-OG 3.31Å; I768-S770 PolarHBondContact O-N 3.09Å; S770-E772 VanDerWaalsContact C-N 3.25Å; S770-E772 PolarHBondContact O-N 3.23Å; S770-E772 PolarHBondContact OG-N 3.36Å; S770-E772 VanDerWaalsContact OG-N 3.08Å; S770-F773 PolarHBondContact OG-N 3.21Å; S770-L774 WeakPolarHBondContact O-CG 3.41Å; S770-L774 PolarHBondContact O-N 3.48Å
771	K	89.3	Confident	89.7	Confident	96 Å²	96	35.4 Å²	35.4	42%	0.417	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.6	170.4	-70.4	-176	-178.1	167.3	0	112.9	K805 V806	K771-K805 WeakPolarHBondContact CE-O 3.4Å; K771-K805 PolarHBondContact NZ-O 2.89Å; K771-V806 HydrophobicContact CG-CG2 4.06Å
772	E	90.3	Very high	89.8	Confident	68 Å²	68	34.6 Å²	34.6	32%	0.318	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-36.5	179.8	-58	-47.6	126.6	0	0	110.9	S770 L774 K775 D776	S770-E772 VanDerWaalsContact C-N 3.25Å; S770-E772 PolarHBondContact O-N 3.23Å; S770-E772 PolarHBondContact OG-N 3.36Å; S770-E772 VanDerWaalsContact OG-N 3.08Å; E772-L774 VanDerWaalsContact C-N 3.26Å; E772-L774 PolarHBondContact O-N 3.11Å; E772-K775 VanDerWaalsContact CD-NZ 3.26Å; E772-K775 PolarHBondContact O-N 2.86Å; E772-K775 IonicContact OE1-NZ 3.54Å; E772-K775 PolarHBondContact OE1-NZ 2.84Å; E772-K775 WeakPolarHBondContact OE2-CD 3.46Å; E772-K775 IonicContact OE2-NZ 3.74Å; E772-K775 PolarHBondContact OE2-NZ 3.2Å; E772-D776 PolarHBondContact O-N 3.4Å; E772-D776 VanDerWaalsContact O-N 3.16Å
773	F	92.5	Very high	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-52.8	-43	170.9	-175.1	-83.3	0	0	0	112.4	C767 I768 V769 S770 K775 D776 C779 L780 F783	C767-F773 HydrophobicContact CB-CE2 4.31Å; C767-F773 HydrophobicContact CB-CZ 4.06Å; I768-F773 WeakPolarHBondContact O-CD2 3.48Å; I768-F773 WeakPolarHBondContact O-CG 3.49Å; V769-F773 HydrophobicContact CB-CD1 4.21Å; V769-F773 HydrophobicContact CG1-CD1 3.96Å; V769-F773 HydrophobicContact CG2-CD1 3.96Å; V769-F773 HydrophobicContact CG2-CE1 3.85Å; V769-F773 HydrophobicContact CG2-CG 4.49Å; V769-F773 HydrophobicContact CG2-CZ 4.28Å; S770-F773 PolarHBondContact OG-N 3.21Å; F773-K775 PolarHBondContact O-N 3.21Å; F773-D776 PolarHBondContact O-N 3.25Å; F773-C779 HydrophobicContact CD1-CB 4.28Å; F773-C779 HydrophobicContact CD2-CB 3.61Å; F773-C779 HydrophobicContact CE1-CB 4.15Å; F773-C779 HydrophobicContact CE2-CB 3.48Å; F773-C779 VanDerWaalsContact CE2-CB 3.48Å; F773-C779 HydrophobicContact CG-CB 4.02Å; F773-C779 HydrophobicContact CZ-CB 3.75Å; F773-C779 WeakPolarHBondContact CZ-O 3.37Å; F773-L780 HydrophobicContact CE1-CD2 4.34Å; F773-F783 HydrophobicContact CE1-CD2 4.39Å; F773-F783 HydrophobicContact CZ-CB 4.32Å; F773-F783 HydrophobicContact CZ-CD2 4.25Å
774	L	88.3	Confident	90	Very high	26 Å²	26	35.5 Å²	35.5	14%	0.136	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-70.9	-12.9	-179.8	-65.5	175.5	0	0	0	114.1	V769 S770 E772 L780 V806 Q810 L811 V817	V769-L774 HydrophobicContact CG1-CD2 3.9Å; V769-L774 HydrophobicContact CG1-CG 4.14Å; S770-L774 WeakPolarHBondContact O-CG 3.41Å; S770-L774 PolarHBondContact O-N 3.48Å; E772-L774 VanDerWaalsContact C-N 3.26Å; E772-L774 PolarHBondContact O-N 3.11Å; L774-L780 HydrophobicContact CD2-CD2 4.42Å; L774-V806 HydrophobicContact CD1-CG1 4.06Å; L774-Q810 HydrophobicContact CD1-CB 4.25Å; L774-L811 HydrophobicContact CD1-CD2 4.28Å; L774-V817 HydrophobicContact CD2-CG2 4.31Å
775	K	86.3	Confident	90	Very high	146 Å²	146	37.4 Å²	37.4	64%	0.635	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-96.4	-17.6	174.5	-61.8	172.6	-167.7	161.7	0	112.2	E772 F773	E772-K775 VanDerWaalsContact CD-NZ 3.26Å; E772-K775 PolarHBondContact O-N 2.86Å; E772-K775 IonicContact OE1-NZ 3.54Å; E772-K775 PolarHBondContact OE1-NZ 2.84Å; E772-K775 WeakPolarHBondContact OE2-CD 3.46Å; E772-K775 IonicContact OE2-NZ 3.74Å; E772-K775 PolarHBondContact OE2-NZ 3.2Å; F773-K775 PolarHBondContact O-N 3.21Å
776	D	87.3	Confident	89.8	Confident	37 Å²	37	37.4 Å²	37.4	20%	0.198	19%	0.19	C	C	.	.			trans	-86.1	111.3	-174.9	-168.9	-29.1	0	0	0	110.4	S711 E772 F773 W778 C779 L780	S711-D776 PolarHBondContact OG-OD2 3.41Å; S711-D776 VanDerWaalsContact OG-OD2 3.11Å; E772-D776 PolarHBondContact O-N 3.4Å; E772-D776 VanDerWaalsContact O-N 3.16Å; F773-D776 PolarHBondContact O-N 3.25Å; D776-W778 VanDerWaalsContact C-N 3.29Å; D776-W778 PolarHBondContact O-N 3.24Å; D776-W778 PolarHBondContact OD1-N 3.2Å; D776-W778 VanDerWaalsContact OD1-N 3.13Å; D776-C779 HydrophobicContact CB-CB 3.87Å; D776-C779 VanDerWaalsContact CG-SG 3.6Å; D776-C779 PolarHBondContact O-N 2.93Å; D776-C779 PolarHBondContact OD1-N 3.28Å; D776-L780 PolarHBondContact O-N 2.7Å
777	G	84.3	Confident	89.5	Confident	50 Å²	50	38.6 Å²	38.6	52%	0.515	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-35.5	-176.4	0	0	0	0	0	113.2	L780 E781	G777-L780 PolarHBondContact O-N 2.93Å; G777-E781 PolarHBondContact O-N 3.33Å; G777-E781 VanDerWaalsContact O-N 3.1Å
778	W	87.6	Confident	89.1	Confident	116 Å²	116	40 Å²	40	44%	0.439	21%	0.209	S	C	.	.	H	α-helix	trans	-74	-36.8	-179.5	-69.5	120.6	0	0	0	112.1	H751 L752 I755 D776 L780 E781 A782	H751-W778 HydrophobicContact CB-CH2 4.17Å; H751-W778 HydrophobicContact CB-CZ2 4.15Å; H751-W778 AromaticContact CD2-CD1 3.97Å; H751-W778 AromaticContact CD2-CD2 3.4Å; H751-W778 AromaticContact CD2-CE2 3.64Å; H751-W778 AromaticContact CD2-CE3 3.7Å; H751-W778 AromaticContact CD2-CG 3.64Å; H751-W778 AromaticContact CD2-NE1 3.98Å; H751-W778 AromaticContact NE2-CG 3.84Å; L752-W778 HydrophobicContact CB-CZ3 4Å; L752-W778 HydrophobicContact CD1-CZ3 4.21Å; I755-W778 HydrophobicContact CD1-CB 4.26Å; I755-W778 HydrophobicContact CD1-CE3 3.95Å; D776-W778 VanDerWaalsContact C-N 3.29Å; D776-W778 PolarHBondContact O-N 3.24Å; D776-W778 PolarHBondContact OD1-N 3.2Å; D776-W778 VanDerWaalsContact OD1-N 3.13Å; W778-L780 PolarHBondContact O-N 3.11Å; W778-E781 PolarHBondContact O-N 3.11Å; W778-A782 WeakPolarHBondContact O-CB 3.16Å; W778-A782 PolarHBondContact O-N 2.84Å
779	C	89.3	Confident	88.7	Confident	4 Å²	4	40 Å²	40	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-42.4	172.9	-75.7	0	0	0	0	112.4	F773 D776 F783	F773-C779 HydrophobicContact CD1-CB 4.28Å; F773-C779 HydrophobicContact CD2-CB 3.61Å; F773-C779 HydrophobicContact CE1-CB 4.15Å; F773-C779 HydrophobicContact CE2-CB 3.48Å; F773-C779 VanDerWaalsContact CE2-CB 3.48Å; F773-C779 HydrophobicContact CG-CB 4.02Å; F773-C779 HydrophobicContact CZ-CB 3.75Å; F773-C779 WeakPolarHBondContact CZ-O 3.37Å; D776-C779 HydrophobicContact CB-CB 3.87Å; D776-C779 VanDerWaalsContact CG-SG 3.6Å; D776-C779 PolarHBondContact O-N 2.93Å; D776-C779 PolarHBondContact OD1-N 3.28Å; C779-F783 WeakPolarHBondContact O-CB 3.49Å; C779-F783 PolarHBondContact O-N 3.1Å
780	L	88.8	Confident	88.3	Confident	40 Å²	40	40.1 Å²	40.1	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-35.7	177.1	-69.7	177.3	0	0	0	112.4	F773 L774 D776 G777 W778 T784 C814 V817	F773-L780 HydrophobicContact CE1-CD2 4.34Å; L774-L780 HydrophobicContact CD2-CD2 4.42Å; D776-L780 PolarHBondContact O-N 2.7Å; G777-L780 PolarHBondContact O-N 2.93Å; W778-L780 PolarHBondContact O-N 3.11Å; L780-T784 PolarHBondContact O-N 3.24Å; L780-T784 PolarHBondContact O-OG1 3.31Å; L780-C814 HydrophobicContact CD2-CB 4.21Å; L780-V817 HydrophobicContact CD2-CG2 4.15Å
781	E	88.7	Confident	87.8	Confident	87 Å²	87	44.9 Å²	44.9	41%	0.407	23%	0.234	S	C	.	.	H	α-helix	trans	-67.9	-46.2	175.4	-161.7	62.6	-155.4	0	0	111.1	L752 G777 W778 F783 T784 L785	L752-E781 HydrophobicContact CD1-CG 3.72Å; G777-E781 PolarHBondContact O-N 3.33Å; G777-E781 VanDerWaalsContact O-N 3.1Å; W778-E781 PolarHBondContact O-N 3.11Å; E781-F783 VanDerWaalsContact C-N 3.32Å; E781-F783 PolarHBondContact O-N 3.39Å; E781-T784 PolarHBondContact O-N 3.39Å; E781-T784 VanDerWaalsContact O-N 3.1Å; E781-L785 WeakPolarHBondContact O-CG 3.16Å; E781-L785 PolarHBondContact O-N 3.4Å
782	A	87.8	Confident	87.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-42.3	173.9	0	0	0	0	0	112.2	C709 I755 W778 T784 L785 A786	C709-A782 VanDerWaalsContact SG-CB 3.59Å; I755-A782 HydrophobicContact CG2-CB 3.55Å; W778-A782 WeakPolarHBondContact O-CB 3.16Å; W778-A782 PolarHBondContact O-N 2.84Å; A782-T784 VanDerWaalsContact C-N 3.33Å; A782-T784 PolarHBondContact O-N 3.17Å; A782-L785 PolarHBondContact O-N 3.27Å; A782-A786 WeakPolarHBondContact O-CB 3.3Å; A782-A786 PolarHBondContact O-N 3.21Å
783	F	91.7	Very high	86.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-42.1	175	-168.1	-81.5	0	0	0	111.7	C767 V769 F773 C779 E781 Q787 L798 M800 A816 V817 F820	C767-F783 HydrophobicContact CB-CD2 3.67Å; C767-F783 HydrophobicContact CB-CE2 4.06Å; V769-F783 HydrophobicContact CG2-CE2 4.44Å; F773-F783 HydrophobicContact CE1-CD2 4.39Å; F773-F783 HydrophobicContact CZ-CB 4.32Å; F773-F783 HydrophobicContact CZ-CD2 4.25Å; C779-F783 WeakPolarHBondContact O-CB 3.49Å; C779-F783 PolarHBondContact O-N 3.1Å; E781-F783 VanDerWaalsContact C-N 3.32Å; E781-F783 PolarHBondContact O-N 3.39Å; F783-Q787 WeakPolarHBondContact O-CB 3.29Å; F783-Q787 PolarHBondContact O-N 3.32Å; F783-L798 HydrophobicContact CD1-CD2 4.38Å; F783-L798 HydrophobicContact CD2-CD1 4.47Å; F783-L798 HydrophobicContact CD2-CD2 4.46Å; F783-L798 HydrophobicContact CE1-CD2 4.05Å; F783-L798 HydrophobicContact CE2-CD1 4.42Å; F783-L798 HydrophobicContact CE2-CD2 4.14Å; F783-L798 HydrophobicContact CZ-CD2 3.92Å; F783-M800 HydrophobicContact CE2-CB 4.36Å; F783-M800 HydrophobicContact CE2-CG 4.19Å; F783-M800 HydrophobicContact CE2-SD 4.19Å; F783-M800 HydrophobicContact CZ-SD 4.1Å; F783-A816 HydrophobicContact CD1-CB 4.05Å; F783-A816 HydrophobicContact CE1-CB 4.48Å; F783-V817 HydrophobicContact CD1-CG2 4.16Å; F783-V817 HydrophobicContact CE1-CG2 4.12Å; F783-V817 HydrophobicContact CG-CG2 4.42Å; F783-V817 HydrophobicContact CZ-CG2 4.33Å; F783-F820 HydrophobicContact CE1-CB 3.98Å; F783-F820 HydrophobicContact CE1-CG 4.4Å; F783-F820 HydrophobicContact CZ-CB 3.83Å; F783-F820 HydrophobicContact CZ-CD1 4.38Å; F783-F820 HydrophobicContact CZ-CD2 4.21Å; F783-F820 AromaticContact CZ-CG 3.89Å; F783-F820 HydrophobicContact CZ-CG 3.89Å
784	T	89.3	Confident	86.1	Confident	62 Å²	62	50.5 Å²	50.5	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-42	179.4	-55.5	0	0	0	0	111.4	L780 E781 A782 Q787 G788 A816	L780-T784 PolarHBondContact O-N 3.24Å; L780-T784 PolarHBondContact O-OG1 3.31Å; E781-T784 PolarHBondContact O-N 3.39Å; E781-T784 VanDerWaalsContact O-N 3.1Å; A782-T784 VanDerWaalsContact C-N 3.33Å; A782-T784 PolarHBondContact O-N 3.17Å; T784-Q787 PolarHBondContact O-N 2.85Å; T784-G788 PolarHBondContact O-N 3.25Å; T784-A816 WeakPolarHBondContact OG1-CB 3.13Å
785	L	89.6	Confident	85.6	Confident	43 Å²	43	50.9 Å²	50.9	23%	0.225	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-45.9	175.1	-73.1	172.4	0	0	0	112.1	L752 I755 I759 E781 A782 Q787 G788 R789	L752-L785 HydrophobicContact CD1-CD1 3.8Å; I755-L785 HydrophobicContact CG2-CD1 4.04Å; I759-L785 HydrophobicContact CD1-CB 3.68Å; I759-L785 HydrophobicContact CD1-CD1 4.43Å; E781-L785 WeakPolarHBondContact O-CG 3.16Å; E781-L785 PolarHBondContact O-N 3.4Å; A782-L785 PolarHBondContact O-N 3.27Å; L785-Q787 VanDerWaalsContact C-N 3.31Å; L785-Q787 PolarHBondContact O-N 3.37Å; L785-G788 PolarHBondContact O-N 3.02Å; L785-R789 PolarHBondContact O-N 3.13Å
786	A	88.3	Confident	85.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-36.6	177.1	0	0	0	0	0	111.9	I759 T765 A782 R789 M790 L798	I759-A786 HydrophobicContact CD1-CB 4.27Å; T765-A786 HydrophobicContact CG2-CB 3.84Å; A782-A786 WeakPolarHBondContact O-CB 3.3Å; A782-A786 PolarHBondContact O-N 3.21Å; A786-R789 PolarHBondContact O-N 3.44Å; A786-M790 WeakPolarHBondContact O-CB 3.45Å; A786-M790 PolarHBondContact O-N 3.04Å; A786-L798 HydrophobicContact CB-CB 4.41Å; A786-L798 HydrophobicContact CB-CD1 3.9Å; A786-L798 HydrophobicContact CB-CD2 4.38Å; A786-L798 HydrophobicContact CB-CG 4.46Å
787	Q	87.4	Confident	85.1	Confident	27 Å²	27	44.6 Å²	44.6	13%	0.126	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-37.9	173.4	-170.9	174.9	32.8	0	0	111.9	F783 T784 L785 M790 L791 L798 A816	F783-Q787 WeakPolarHBondContact O-CB 3.29Å; F783-Q787 PolarHBondContact O-N 3.32Å; T784-Q787 PolarHBondContact O-N 2.85Å; L785-Q787 VanDerWaalsContact C-N 3.31Å; L785-Q787 PolarHBondContact O-N 3.37Å; Q787-M790 HydrophobicContact CG-CE 4.16Å; Q787-M790 PolarHBondContact O-N 3.46Å; Q787-L791 WeakPolarHBondContact O-CG 3.32Å; Q787-L791 PolarHBondContact O-N 3.25Å; Q787-L791 VanDerWaalsContact O-N 3.16Å; Q787-L798 HydrophobicContact CB-CD2 4.01Å; Q787-A816 PolarHBondContact NE2-O 3.15Å; Q787-A816 PolarHBondContact OE1-O 3.19Å
788	G	84.9	Confident	85.4	Confident	28 Å²	28	42.6 Å²	42.6	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-53.3	172.4	0	0	0	0	0	111.9	T784 L785 M790 L791 E792	T784-G788 PolarHBondContact O-N 3.25Å; L785-G788 PolarHBondContact O-N 3.02Å; G788-M790 VanDerWaalsContact C-N 3.29Å; G788-M790 PolarHBondContact O-N 2.99Å; G788-L791 PolarHBondContact O-N 3.15Å; G788-E792 WeakPolarHBondContact O-CG 3.12Å; G788-E792 PolarHBondContact O-N 3.3Å
789	R	86.6	Confident	85.6	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-55.5	-43.6	176.5	-177.4	178	174.4	-148.2	-12.1	112.3	I759 W760 S762 L785 A786 L791 E792 E793	I759-R789 PolarHBondContact O-NH1 3.15Å; W760-R789 HydrophobicContact CZ2-CB 4.43Å; S762-R789 PolarHBondContact O-NH1 2.89Å; L785-R789 PolarHBondContact O-N 3.13Å; A786-R789 PolarHBondContact O-N 3.44Å; R789-L791 VanDerWaalsContact C-N 3.3Å; R789-L791 PolarHBondContact O-N 3.5Å; R789-E792 PolarHBondContact O-N 3.26Å; R789-E793 HydrophobicContact CG-CG 4.26Å; R789-E793 WeakPolarHBondContact CG-OE1 3.49Å; R789-E793 IonicContact CZ-OE1 3.8Å; R789-E793 IonicContact CZ-OE2 2.65Å; R789-E793 IonicContact NE-OE1 3.37Å; R789-E793 PolarHBondContact NE-OE1 3.2Å; R789-E793 IonicContact NE-OE2 3.45Å; R789-E793 IonicContact NH2-OE1 2.65Å; R789-E793 PolarHBondContact NH2-OE1 3.21Å; R789-E793 IonicContact NH2-OE2 2.82Å; R789-E793 PolarHBondContact NH2-OE2 3.18Å; R789-E793 WeakPolarHBondContact O-CB 3.11Å; R789-E793 PolarHBondContact O-N 2.86Å
790	M	83.9	Confident	85.7	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-37.6	177.4	-173.7	-173.8	58.3	0	0	112.8	A786 Q787 G788 L794 T795 V797 L798 F820	A786-M790 WeakPolarHBondContact O-CB 3.45Å; A786-M790 PolarHBondContact O-N 3.04Å; Q787-M790 HydrophobicContact CG-CE 4.16Å; Q787-M790 PolarHBondContact O-N 3.46Å; G788-M790 VanDerWaalsContact C-N 3.29Å; G788-M790 PolarHBondContact O-N 2.99Å; M790-L794 PolarHBondContact O-N 3.17Å; M790-T795 WeakPolarHBondContact CG-O 3.5Å; M790-V797 HydrophobicContact CB-CB 4.48Å; M790-L798 HydrophobicContact SD-CB 4.08Å; M790-F820 HydrophobicContact CE-CD2 4.21Å; M790-F820 HydrophobicContact CE-CE2 4.05Å; M790-F820 HydrophobicContact SD-CE2 4.2Å
791	L	82.4	Confident	85.9	Confident	106 Å²	106	35.8 Å²	35.8	56%	0.555	19%	0.19	S	C	*	.	H	α-helix	trans	-77.2	-35.3	178.3	-70.4	170.5	0	0	0	112.3	Q787 G788 R789	Q787-L791 WeakPolarHBondContact O-CG 3.32Å; Q787-L791 PolarHBondContact O-N 3.25Å; Q787-L791 VanDerWaalsContact O-N 3.16Å; G788-L791 PolarHBondContact O-N 3.15Å; R789-L791 VanDerWaalsContact C-N 3.3Å; R789-L791 PolarHBondContact O-N 3.5Å
792	E	80.8	Confident	86.1	Confident	147 Å²	147	32.1 Å²	32.1	69%	0.687	17%	0.174	S	C	*	.	H	α-helix	trans	-68.2	-49.2	176.4	-73	178.7	179.9	0	0	112.1	G788 R789 L794	G788-E792 WeakPolarHBondContact O-CG 3.12Å; G788-E792 PolarHBondContact O-N 3.3Å; R789-E792 PolarHBondContact O-N 3.26Å; E792-L794 VanDerWaalsContact C-N 3.31Å; E792-L794 PolarHBondContact O-N 2.95Å
793	E	78.7	Confident	86.1	Confident	75 Å²	75	33 Å²	33	35%	0.35	18%	0.179	S	C	.	.	H	α-helix	trans	-79.8	-12.7	-176.3	-66.9	-175.5	-171.1	0	0	113.2	R789 T795	R789-E793 HydrophobicContact CG-CG 4.26Å; R789-E793 WeakPolarHBondContact CG-OE1 3.49Å; R789-E793 IonicContact CZ-OE1 3.8Å; R789-E793 IonicContact CZ-OE2 2.65Å; R789-E793 IonicContact NE-OE1 3.37Å; R789-E793 PolarHBondContact NE-OE1 3.2Å; R789-E793 IonicContact NE-OE2 3.45Å; R789-E793 IonicContact NH2-OE1 2.65Å; R789-E793 PolarHBondContact NH2-OE1 3.21Å; R789-E793 IonicContact NH2-OE2 2.82Å; R789-E793 PolarHBondContact NH2-OE2 3.18Å; R789-E793 WeakPolarHBondContact O-CB 3.11Å; R789-E793 PolarHBondContact O-N 2.86Å; E793-T795 VanDerWaalsContact CB-OG1 3.25Å; E793-T795 WeakPolarHBondContact CB-OG1 3.48Å; E793-T795 PolarHBondContact O-N 3.44Å; E793-T795 PolarHBondContact OE2-OG1 3.16Å
794	L	75.8	Confident	85.8	Confident	60 Å²	60	35.7 Å²	35.7	31%	0.314	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	33.3	-172.8	-59.2	170.8	0	0	0	112.5	M790 E792 K852 V853 K855	M790-L794 PolarHBondContact O-N 3.17Å; E792-L794 VanDerWaalsContact C-N 3.31Å; E792-L794 PolarHBondContact O-N 2.95Å; L794-K852 CarbonylContact O-C 3.57Å; L794-K852 WeakPolarHBondContact O-CA 3.39Å; L794-V853 HydrophobicContact CB-CB 4.48Å; L794-V853 PolarHBondContact O-N 2.82Å; L794-K855 HydrophobicContact CD1-CD 4.26Å; L794-K855 HydrophobicContact CD1-CG 4.27Å; L794-K855 HydrophobicContact CD2-CG 4.25Å
795	T	78.1	Confident	85.2	Confident	35 Å²	35	40.4 Å²	40.4	22%	0.215	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-123.5	146.5	177.7	49.3	0	0	0	0	108.9	M790 E793 V797	M790-T795 WeakPolarHBondContact CG-O 3.5Å; E793-T795 VanDerWaalsContact CB-OG1 3.25Å; E793-T795 WeakPolarHBondContact CB-OG1 3.48Å; E793-T795 PolarHBondContact O-N 3.44Å; E793-T795 PolarHBondContact OE2-OG1 3.16Å; T795-V797 VanDerWaalsContact C-N 3.32Å; T795-V797 PolarHBondContact O-N 3.37Å; T795-V797 VanDerWaalsContact OG1-CG2 3.25Å; T795-V797 WeakPolarHBondContact OG1-CG2 3.43Å
796	N	77.9	Confident	84.9	Confident	47 Å²	47	39.3 Å²	39.3	25%	0.251	22%	0.217	S	C	.	.			trans	-72.3	86	174.1	-79.5	-19.8	0	0	0	110.3	K764 R824 T851 V853	K764-N796 WeakPolarHBondContact CD-O 3.38Å; K764-N796 WeakPolarHBondContact CE-O 3.43Å; K764-N796 PolarHBondContact NZ-O 3.13Å; N796-R824 PolarHBondContact OD1-NH1 3.4Å; N796-T851 PolarHBondContact N-O 2.95Å; N796-T851 PolarHBondContact ND2-OG1 3.21Å; N796-V853 WeakPolarHBondContact OD1-CG2 3.24Å
797	V	85.8	Confident	84.6	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.024	23%	0.232	C	C	.	.			trans	-90.2	-31	178.7	-174.4	0	0	0	0	112	K764 T765 M790 T795	K764-V797 CarbonylContact C-O 3.42Å; K764-V797 WeakPolarHBondContact CA-O 3.17Å; T765-V797 PolarHBondContact N-O 2.9Å; M790-V797 HydrophobicContact CB-CB 4.48Å; T795-V797 VanDerWaalsContact C-N 3.32Å; T795-V797 PolarHBondContact O-N 3.37Å; T795-V797 VanDerWaalsContact OG1-CG2 3.25Å; T795-V797 WeakPolarHBondContact OG1-CG2 3.43Å
798	L	89.8	Confident	84.3	Confident	7 Å²	7	45 Å²	45	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126	-175.6	177.1	60.2	0	0	0	112	T765 C767 F783 A786 Q787 M790 F820	T765-L798 HydrophobicContact CG2-CD1 4.3Å; T765-L798 WeakPolarHBondContact O-CA 3.4Å; C767-L798 HydrophobicContact CB-CD1 4.27Å; F783-L798 HydrophobicContact CD1-CD2 4.38Å; F783-L798 HydrophobicContact CD2-CD1 4.47Å; F783-L798 HydrophobicContact CD2-CD2 4.46Å; F783-L798 HydrophobicContact CE1-CD2 4.05Å; F783-L798 HydrophobicContact CE2-CD1 4.42Å; F783-L798 HydrophobicContact CE2-CD2 4.14Å; F783-L798 HydrophobicContact CZ-CD2 3.92Å; A786-L798 HydrophobicContact CB-CB 4.41Å; A786-L798 HydrophobicContact CB-CD1 3.9Å; A786-L798 HydrophobicContact CB-CD2 4.38Å; A786-L798 HydrophobicContact CB-CG 4.46Å; Q787-L798 HydrophobicContact CB-CD2 4.01Å; M790-L798 HydrophobicContact SD-CB 4.08Å; L798-F820 HydrophobicContact CB-CE2 4.28Å; L798-F820 HydrophobicContact CD2-CD2 3.83Å; L798-F820 HydrophobicContact CD2-CE2 3.78Å; L798-F820 HydrophobicContact CG-CD2 4.42Å; L798-F820 HydrophobicContact CG-CE2 3.88Å; L798-F820 HydrophobicContact CG-CZ 4.47Å
799	V	91.3	Very high	84.1	Confident	16 Å²	16	50.6 Å²	50.6	10%	0.097	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.9	171.7	-176.5	0	0	0	0	108.8	T765 L766 C767 L827 L843	T765-V799 PolarHBondContact O-N 3.39Å; L766-V799 WeakPolarHBondContact CA-O 3.45Å; L766-V799 HydrophobicContact CD1-CB 3.78Å; L766-V799 HydrophobicContact CD1-CG1 3.59Å; C767-V799 PolarHBondContact N-O 3.18Å; V799-L827 HydrophobicContact CG1-CD1 4.48Å; V799-L843 HydrophobicContact CG1-CD1 4.46Å
800	M	92.7	Very high	83.8	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124	179	-178.9	179.7	170	0	0	109.9	V769 F783 V802 L811 V817 F820 V821 L827	V769-M800 HydrophobicContact CB-CE 4.06Å; V769-M800 HydrophobicContact CG1-CE 4.07Å; V769-M800 HydrophobicContact CG2-CE 3.91Å; V769-M800 HydrophobicContact CG2-CG 3.81Å; V769-M800 HydrophobicContact CG2-SD 4.46Å; F783-M800 HydrophobicContact CE2-CB 4.36Å; F783-M800 HydrophobicContact CE2-CG 4.19Å; F783-M800 HydrophobicContact CE2-SD 4.19Å; F783-M800 HydrophobicContact CZ-SD 4.1Å; M800-V802 HydrophobicContact CE-CG2 3.74Å; M800-L811 HydrophobicContact CE-CD2 3.9Å; M800-V817 HydrophobicContact CE-CG1 3.66Å; M800-V817 HydrophobicContact SD-CG1 4.34Å; M800-F820 HydrophobicContact CB-CD1 4.08Å; M800-F820 HydrophobicContact CB-CE1 3.63Å; M800-F820 HydrophobicContact CB-CZ 4.23Å; M800-F820 HydrophobicContact SD-CD1 3.76Å; M800-F820 HydrophobicContact SD-CE1 4.24Å; M800-V821 HydrophobicContact CE-CG2 3.75Å; M800-V821 HydrophobicContact SD-CG2 3.91Å; M800-L827 PolarHBondContact O-N 3.19Å
801	L	93.4	Very high	83.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.3	175.3	172.5	60	0	0	0	109.7	L722 L766 C767 I768 V769 V803 L827 F839	L722-L801 HydrophobicContact CD1-CD2 3.95Å; L722-L801 HydrophobicContact CD2-CD2 4.41Å; L766-L801 HydrophobicContact CD1-CB 4.1Å; C767-L801 PolarHBondContact O-N 3.36Å; I768-L801 CarbonylContact C-O 3.27Å; I768-L801 WeakPolarHBondContact CA-O 3.29Å; V769-L801 PolarHBondContact N-O 3.3Å; L801-V803 HydrophobicContact CD2-CG2 4.22Å; L801-V803 HydrophobicContact CG-CG2 3.93Å; L801-L827 CarbonylContact C-O 3.6Å; L801-L827 WeakPolarHBondContact CA-O 3.48Å; L801-L827 HydrophobicContact CD1-CB 3.81Å; L801-F839 HydrophobicContact CD1-CE2 3.56Å; L801-F839 HydrophobicContact CD1-CZ 3.5Å; L801-F839 VanDerWaalsContact CD1-CZ 3.5Å; L801-F839 HydrophobicContact CD2-CZ 3.99Å; L801-F839 HydrophobicContact CG-CZ 4.4Å
802	V	92	Very high	83.6	Confident	11 Å²	11	50 Å²	50	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.7	177.5	-179.4	0	0	0	0	110.2	V769 M800 V806 L811 Y826 L827 T828 W829	V769-V802 WeakPolarHBondContact O-CA 3.48Å; M800-V802 HydrophobicContact CE-CG2 3.74Å; V802-V806 HydrophobicContact CG1-CB 4.14Å; V802-V806 HydrophobicContact CG1-CG2 4.29Å; V802-L811 HydrophobicContact CG2-CD1 4.4Å; V802-Y826 HydrophobicContact CB-CD2 4.38Å; V802-Y826 HydrophobicContact CB-CE2 4.49Å; V802-Y826 HydrophobicContact CG2-CD2 3.57Å; V802-Y826 HydrophobicContact CG2-CE2 3.84Å; V802-Y826 HydrophobicContact CG2-CG 4.45Å; V802-L827 PolarHBondContact N-O 3.18Å; V802-T828 HydrophobicContact CB-CG2 4.44Å; V802-W829 PolarHBondContact O-N 3.4Å
803	V	88.9	Confident	83.5	Confident	18 Å²	18	50 Å²	50	11%	0.109	26%	0.257	C	S	.	.			trans	-122.2	132.8	-176.9	-177.4	0	0	0	0	110.9	W717 I768 V769 L801 W829	W717-V803 HydrophobicContact CD2-CG1 3.95Å; W717-V803 HydrophobicContact CE3-CG1 3.99Å; W717-V803 HydrophobicContact CH2-CB 4.12Å; W717-V803 HydrophobicContact CH2-CG1 3.54Å; W717-V803 HydrophobicContact CH2-CG2 3.38Å; W717-V803 HydrophobicContact CZ2-CB 4.44Å; W717-V803 HydrophobicContact CZ2-CG1 3.43Å; W717-V803 VanDerWaalsContact CZ2-CG1 3.43Å; W717-V803 HydrophobicContact CZ2-CG2 4.1Å; W717-V803 HydrophobicContact CZ3-CB 4.3Å; W717-V803 HydrophobicContact CZ3-CG1 3.82Å; W717-V803 HydrophobicContact CZ3-CG2 3.63Å; I768-V803 HydrophobicContact CG2-CB 4.25Å; I768-V803 HydrophobicContact CG2-CG2 3.51Å; V769-V803 PolarHBondContact O-N 2.93Å; V769-V803 VanDerWaalsContact O-N 3.09Å; L801-V803 HydrophobicContact CD2-CG2 4.22Å; L801-V803 HydrophobicContact CG-CG2 3.93Å; V803-W829 HydrophobicContact CG2-CB 4.42Å
804	G	83.7	Confident	83.6	Confident	57 Å²	57	47.8 Å²	47.8	59%	0.588	25%	0.249	S	C	*	.	S	Bend	trans	77.2	179.2	-178.4	0	0	0	0	0	113.9	V806	G804-V806 PolarHBondContact O-N 3.37Å
805	K	77.6	Confident	83.8	Confident	162 Å²	162	50.5 Å²	50.5	70%	0.704	26%	0.264	S	S	*	.	S	Bend	trans	-76.4	69	-176.5	-62.8	-174.5	179.9	-175.8	0	112	K771 E831	K771-K805 WeakPolarHBondContact CE-O 3.4Å; K771-K805 PolarHBondContact NZ-O 2.89Å; K805-E831 WeakPolarHBondContact CE-OE1 3.34Å
806	V	83.9	Confident	83.8	Confident	19 Å²	19	49.7 Å²	49.7	12%	0.115	26%	0.26	C	S	.	.			trans	-88	114.6	173.1	-172.9	0	0	0	0	108.8	K771 L774 V802 G804 Q810 L811	K771-V806 HydrophobicContact CG-CG2 4.06Å; L774-V806 HydrophobicContact CD1-CG1 4.06Å; V802-V806 HydrophobicContact CG1-CB 4.14Å; V802-V806 HydrophobicContact CG1-CG2 4.29Å; G804-V806 PolarHBondContact O-N 3.37Å; V806-Q810 HydrophobicContact CG1-CB 4.13Å; V806-L811 HydrophobicContact CG1-CD2 3.83Å; V806-L811 HydrophobicContact CG1-CG 3.91Å
807	A	81.8	Confident	84.2	Confident	39 Å²	39	47.4 Å²	47.4	32%	0.322	25%	0.248	S	C	.	.			trans	-73.1	145.7	-179.8	0	0	0	0	0	110.9	Y809 Q810	A807-Y809 HydrophobicContact CB-CD1 3.49Å; A807-Y809 VanDerWaalsContact CB-CD1 3.49Å; A807-Y809 HydrophobicContact CB-CE1 3.29Å; A807-Y809 PolarHBondContact O-N 2.75Å; A807-Y809 VanDerWaalsContact O-N 3.11Å; A807-Q810 HydrophobicContact CB-CG 4.37Å; A807-Q810 WeakPolarHBondContact O-CB 3.49Å; A807-Q810 PolarHBondContact O-N 3.22Å
808	H	80.5	Confident	84.1	Confident	109 Å²	109	52 Å²	52	51%	0.505	27%	0.265	S	S	.	.	H	α-helix	trans	-53.5	-38.1	-176.5	-170.9	77.6	0	0	0	113.2	Q810 L811 M812	H808-Q810 PolarHBondContact O-N 3.07Å; H808-L811 PolarHBondContact O-N 2.86Å; H808-M812 VanDerWaalsContact O-CG 3.3Å; H808-M812 WeakPolarHBondContact O-CG 3.2Å; H808-M812 PolarHBondContact O-N 3.42Å
809	Y	79.7	Confident	83.7	Confident	145 Å²	145	53.3 Å²	53.3	57%	0.569	28%	0.277	S	S	*	.	H	α-helix	trans	-62.6	-26.1	177.2	78.6	-94	0	0	0	113.6	A807	A807-Y809 HydrophobicContact CB-CD1 3.49Å; A807-Y809 VanDerWaalsContact CB-CD1 3.49Å; A807-Y809 HydrophobicContact CB-CE1 3.29Å; A807-Y809 PolarHBondContact O-N 2.75Å; A807-Y809 VanDerWaalsContact O-N 3.11Å
810	Q	81.5	Confident	83.5	Confident	44 Å²	44	52.9 Å²	52.9	21%	0.206	27%	0.274	C	S	.	.	H	α-helix	trans	-74.9	-39.3	177.9	-60.5	-176.4	-57	0	0	111	L774 V806 A807 H808 M812 K813	L774-Q810 HydrophobicContact CD1-CB 4.25Å; V806-Q810 HydrophobicContact CG1-CB 4.13Å; A807-Q810 HydrophobicContact CB-CG 4.37Å; A807-Q810 WeakPolarHBondContact O-CB 3.49Å; A807-Q810 PolarHBondContact O-N 3.22Å; H808-Q810 PolarHBondContact O-N 3.07Å; Q810-M812 PolarHBondContact O-N 3.34Å; Q810-K813 WeakPolarHBondContact O-CB 3.24Å; Q810-K813 PolarHBondContact O-N 3.43Å
811	L	81.8	Confident	83.1	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-31.8	174	-63.3	172.8	0	0	0	111.9	V769 L774 M800 V802 V806 H808 K813 V817	V769-L811 HydrophobicContact CG1-CD2 3.72Å; L774-L811 HydrophobicContact CD1-CD2 4.28Å; M800-L811 HydrophobicContact CE-CD2 3.9Å; V802-L811 HydrophobicContact CG2-CD1 4.4Å; V806-L811 HydrophobicContact CG1-CD2 3.83Å; V806-L811 HydrophobicContact CG1-CG 3.91Å; H808-L811 PolarHBondContact O-N 2.86Å; L811-K813 VanDerWaalsContact C-N 3.29Å; L811-K813 PolarHBondContact O-N 3.37Å; L811-V817 HydrophobicContact CB-CG1 4.41Å; L811-V817 HydrophobicContact CD2-CG1 4.28Å
812	M	79.5	Confident	82.5	Confident	50 Å²	50	59.6 Å²	59.6	25%	0.246	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.8	-179.5	-62.5	-64.4	-80.2	0	0	114.2	H808 Q810 R818 Q822	H808-M812 VanDerWaalsContact O-CG 3.3Å; H808-M812 WeakPolarHBondContact O-CG 3.2Å; H808-M812 PolarHBondContact O-N 3.42Å; Q810-M812 PolarHBondContact O-N 3.34Å; M812-R818 HydrophobicContact CE-CG 3.72Å; M812-R818 WeakPolarHBondContact O-CD 3.04Å; M812-R818 HydrophobicContact SD-CB 4.26Å; M812-R818 HydrophobicContact SD-CG 3.77Å; M812-Q822 HydrophobicContact CE-CG 4.01Å; M812-Q822 HydrophobicContact SD-CG 4.47Å
813	K	80	Confident	81.7	Confident	149 Å²	149	69 Å²	69	65%	0.648	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-34.6	178.6	-72.8	-174.2	175.7	-173	0	113	Q810 L811	Q810-K813 WeakPolarHBondContact O-CB 3.24Å; Q810-K813 PolarHBondContact O-N 3.43Å; L811-K813 VanDerWaalsContact C-N 3.29Å; L811-K813 PolarHBondContact O-N 3.37Å
814	C	79.6	Confident	81.2	Confident	28 Å²	28	71.3 Å²	71.3	19%	0.189	35%	0.348	C	S	.	.	S	Bend	trans	-96.2	128.7	-175.7	-61.8	0	0	0	0	110.3	L780 A816 V817 R818	L780-C814 HydrophobicContact CD2-CB 4.21Å; C814-A816 PolarHBondContact O-N 2.68Å; C814-V817 HydrophobicContact CB-CB 4.23Å; C814-V817 HydrophobicContact CB-CG2 4.19Å; C814-V817 PolarHBondContact O-N 3.13Å; C814-R818 WeakPolarHBondContact O-CB 3.44Å; C814-R818 PolarHBondContact O-N 2.99Å
815	N	80.3	Confident	81	Confident	117 Å²	117	76.3 Å²	76.3	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-59.1	-46.7	-173.2	-75.4	-23.9	0	0	0	113.7	R818 A819	N815-R818 PolarHBondContact OD1-NH2 2.87Å; N815-A819 WeakPolarHBondContact O-CB 3.31Å; N815-A819 PolarHBondContact O-N 3.23Å
816	A	79.1	Confident	81.5	Confident	17 Å²	17	72.3 Å²	72.3	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-47.1	-178.6	0	0	0	0	0	112.3	F783 T784 Q787 C814 A819 F820	F783-A816 HydrophobicContact CD1-CB 4.05Å; F783-A816 HydrophobicContact CE1-CB 4.48Å; T784-A816 WeakPolarHBondContact OG1-CB 3.13Å; Q787-A816 PolarHBondContact NE2-O 3.15Å; Q787-A816 PolarHBondContact OE1-O 3.19Å; C814-A816 PolarHBondContact O-N 2.68Å; A816-A819 PolarHBondContact O-N 3.28Å; A816-F820 PolarHBondContact O-N 3.08Å; A816-F820 VanDerWaalsContact O-N 3.12Å
817	V	84.8	Confident	81.8	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-44.4	177	-178.4	0	0	0	0	111	L774 L780 F783 M800 L811 C814 A819 F820 V821	L774-V817 HydrophobicContact CD2-CG2 4.31Å; L780-V817 HydrophobicContact CD2-CG2 4.15Å; F783-V817 HydrophobicContact CD1-CG2 4.16Å; F783-V817 HydrophobicContact CE1-CG2 4.12Å; F783-V817 HydrophobicContact CG-CG2 4.42Å; F783-V817 HydrophobicContact CZ-CG2 4.33Å; M800-V817 HydrophobicContact CE-CG1 3.66Å; M800-V817 HydrophobicContact SD-CG1 4.34Å; L811-V817 HydrophobicContact CB-CG1 4.41Å; L811-V817 HydrophobicContact CD2-CG1 4.28Å; C814-V817 HydrophobicContact CB-CB 4.23Å; C814-V817 HydrophobicContact CB-CG2 4.19Å; C814-V817 PolarHBondContact O-N 3.13Å; V817-A819 VanDerWaalsContact C-N 3.34Å; V817-A819 PolarHBondContact O-N 3.14Å; V817-F820 PolarHBondContact O-N 3.37Å; V817-F820 VanDerWaalsContact O-N 3.16Å; V817-V821 HydrophobicContact CG1-CG2 4.13Å; V817-V821 WeakPolarHBondContact O-CG2 3.43Å; V817-V821 PolarHBondContact O-N 2.96Å
818	R	84.4	Confident	82.2	Confident	99 Å²	99	74.1 Å²	74.1	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-56.5	-46.2	174.9	174.6	169.1	64.5	168.6	3.3	112	M812 C814 N815 F820 V821 Q822	M812-R818 HydrophobicContact CE-CG 3.72Å; M812-R818 WeakPolarHBondContact O-CD 3.04Å; M812-R818 HydrophobicContact SD-CB 4.26Å; M812-R818 HydrophobicContact SD-CG 3.77Å; C814-R818 WeakPolarHBondContact O-CB 3.44Å; C814-R818 PolarHBondContact O-N 2.99Å; N815-R818 PolarHBondContact OD1-NH2 2.87Å; R818-F820 VanDerWaalsContact C-N 3.28Å; R818-F820 PolarHBondContact O-N 3.12Å; R818-V821 PolarHBondContact O-N 3.24Å; R818-Q822 HydrophobicContact CG-CG 4.42Å; R818-Q822 WeakPolarHBondContact O-CB 3.47Å; R818-Q822 VanDerWaalsContact O-CG 3.31Å; R818-Q822 WeakPolarHBondContact O-CG 2.99Å; R818-Q822 PolarHBondContact O-N 3.03Å
819	A	81.6	Confident	82.7	Confident	36 Å²	36	71.5 Å²	71.5	30%	0.298	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-32.6	179.5	0	0	0	0	0	112.5	N815 A816 V817	N815-A819 WeakPolarHBondContact O-CB 3.31Å; N815-A819 PolarHBondContact O-N 3.23Å; A816-A819 PolarHBondContact O-N 3.28Å; V817-A819 VanDerWaalsContact C-N 3.34Å; V817-A819 PolarHBondContact O-N 3.14Å
820	F	85.7	Confident	83.2	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-71.6	-52.9	174.5	-167.6	-84.3	0	0	0	111.3	F783 M790 L798 M800 A816 V817 R818 Q822 R823 R824	F783-F820 HydrophobicContact CE1-CB 3.98Å; F783-F820 HydrophobicContact CE1-CG 4.4Å; F783-F820 HydrophobicContact CZ-CB 3.83Å; F783-F820 HydrophobicContact CZ-CD1 4.38Å; F783-F820 HydrophobicContact CZ-CD2 4.21Å; F783-F820 AromaticContact CZ-CG 3.89Å; F783-F820 HydrophobicContact CZ-CG 3.89Å; M790-F820 HydrophobicContact CE-CD2 4.21Å; M790-F820 HydrophobicContact CE-CE2 4.05Å; M790-F820 HydrophobicContact SD-CE2 4.2Å; L798-F820 HydrophobicContact CB-CE2 4.28Å; L798-F820 HydrophobicContact CD2-CD2 3.83Å; L798-F820 HydrophobicContact CD2-CE2 3.78Å; L798-F820 HydrophobicContact CG-CD2 4.42Å; L798-F820 HydrophobicContact CG-CE2 3.88Å; L798-F820 HydrophobicContact CG-CZ 4.47Å; M800-F820 HydrophobicContact CB-CD1 4.08Å; M800-F820 HydrophobicContact CB-CE1 3.63Å; M800-F820 HydrophobicContact CB-CZ 4.23Å; M800-F820 HydrophobicContact SD-CD1 3.76Å; M800-F820 HydrophobicContact SD-CE1 4.24Å; A816-F820 PolarHBondContact O-N 3.08Å; A816-F820 VanDerWaalsContact O-N 3.12Å; V817-F820 PolarHBondContact O-N 3.37Å; V817-F820 VanDerWaalsContact O-N 3.16Å; R818-F820 VanDerWaalsContact C-N 3.28Å; R818-F820 PolarHBondContact O-N 3.12Å; F820-Q822 VanDerWaalsContact C-N 3.31Å; F820-Q822 PolarHBondContact O-N 3Å; F820-R823 PolarHBondContact O-N 3.17Å; F820-R823 VanDerWaalsContact O-N 3.11Å; F820-R824 HydrophobicContact CD1-CB 4.26Å; F820-R824 HydrophobicContact CE1-CB 4.01Å; F820-R824 HydrophobicContact CE2-CB 4.45Å; F820-R824 HydrophobicContact CZ-CB 4.12Å; F820-R824 WeakPolarHBondContact O-CB 3.33Å; F820-R824 PolarHBondContact O-N 3.32Å
821	V	85.9	Confident	83.2	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-36	-177.3	170.7	0	0	0	0	112.6	M800 V817 R818 R823 Y826	M800-V821 HydrophobicContact CE-CG2 3.75Å; M800-V821 HydrophobicContact SD-CG2 3.91Å; V817-V821 HydrophobicContact CG1-CG2 4.13Å; V817-V821 WeakPolarHBondContact O-CG2 3.43Å; V817-V821 PolarHBondContact O-N 2.96Å; R818-V821 PolarHBondContact O-N 3.24Å; V821-R823 VanDerWaalsContact C-N 3.29Å; V821-R823 PolarHBondContact O-N 2.76Å; V821-Y826 HydrophobicContact CG1-CD1 4.45Å; V821-Y826 HydrophobicContact CG1-CE1 3.92Å; V821-Y826 HydrophobicContact CG2-CD1 4.3Å; V821-Y826 HydrophobicContact CG2-CE1 4.41Å
822	Q	80.4	Confident	83.2	Confident	126 Å²	126	74.6 Å²	74.6	59%	0.589	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-21.8	179.2	-76.6	-178.9	-27.9	0	0	114.1	M812 R818 F820	M812-Q822 HydrophobicContact CE-CG 4.01Å; M812-Q822 HydrophobicContact SD-CG 4.47Å; R818-Q822 HydrophobicContact CG-CG 4.42Å; R818-Q822 WeakPolarHBondContact O-CB 3.47Å; R818-Q822 VanDerWaalsContact O-CG 3.31Å; R818-Q822 WeakPolarHBondContact O-CG 2.99Å; R818-Q822 PolarHBondContact O-N 3.03Å; F820-Q822 VanDerWaalsContact C-N 3.31Å; F820-Q822 PolarHBondContact O-N 3Å
823	R	75.8	Confident	83.2	Confident	210 Å²	210	77 Å²	77	79%	0.792	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-12.5	-166.4	-62.7	-177.8	179.7	-169.3	-1.1	113.7	F820 V821	F820-R823 PolarHBondContact O-N 3.17Å; F820-R823 VanDerWaalsContact O-N 3.11Å; V821-R823 VanDerWaalsContact C-N 3.29Å; V821-R823 PolarHBondContact O-N 2.76Å
824	R	77.6	Confident	83.3	Confident	66 Å²	66	77.9 Å²	77.9	25%	0.249	38%	0.378	C	S	.	.	S	Bend	trans	-143.1	152.1	-171.5	-65.3	-178.3	175.1	-97.6	9.3	111.5	N796 F820	N796-R824 PolarHBondContact OD1-NH1 3.4Å; F820-R824 HydrophobicContact CD1-CB 4.26Å; F820-R824 HydrophobicContact CE1-CB 4.01Å; F820-R824 HydrophobicContact CE2-CB 4.45Å; F820-R824 HydrophobicContact CZ-CB 4.12Å; F820-R824 WeakPolarHBondContact O-CB 3.33Å; F820-R824 PolarHBondContact O-N 3.32Å
825	E	80.4	Confident	83.6	Confident	161 Å²	161	80.6 Å²	80.6	75%	0.752	39%	0.391	S	S	*	.			trans	-73	143.4	173	-65.3	-176.3	-175.6	0	0	110.8	R842	E825-R842 IonicContact OE2-NH2 2.69Å; E825-R842 PolarHBondContact OE2-NH2 2.97Å
826	Y	87.6	Confident	83.9	Confident	78 Å²	78	77.3 Å²	77.3	31%	0.306	37%	0.373	S	S	.	.			trans	-127.1	157.9	172.8	60.9	-89.3	0	0	0	109.3	V802 V821 T828	V802-Y826 HydrophobicContact CB-CD2 4.38Å; V802-Y826 HydrophobicContact CB-CE2 4.49Å; V802-Y826 HydrophobicContact CG2-CD2 3.57Å; V802-Y826 HydrophobicContact CG2-CE2 3.84Å; V802-Y826 HydrophobicContact CG2-CG 4.45Å; V821-Y826 HydrophobicContact CG1-CD1 4.45Å; V821-Y826 HydrophobicContact CG1-CE1 3.92Å; V821-Y826 HydrophobicContact CG2-CD1 4.3Å; V821-Y826 HydrophobicContact CG2-CE1 4.41Å; Y826-T828 HydrophobicContact CD2-CG2 4.09Å; Y826-T828 HydrophobicContact CE2-CG2 3.65Å
827	L	90.3	Very high	84.1	Confident	9 Å²	9	81.8 Å²	81.8	5%	0.047	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	146.4	175.6	-66.3	177.6	0	0	0	110.5	V799 M800 L801 V802 F839 R842 L843 L846	V799-L827 HydrophobicContact CG1-CD1 4.48Å; M800-L827 PolarHBondContact O-N 3.19Å; L801-L827 CarbonylContact C-O 3.6Å; L801-L827 WeakPolarHBondContact CA-O 3.48Å; L801-L827 HydrophobicContact CD1-CB 3.81Å; V802-L827 PolarHBondContact N-O 3.18Å; L827-F839 HydrophobicContact CB-CE2 4.21Å; L827-F839 HydrophobicContact CD1-CE2 4.32Å; L827-R842 HydrophobicContact CD2-CG 4.13Å; L827-L843 HydrophobicContact CD1-CB 4.19Å; L827-L843 HydrophobicContact CD1-CD1 3.71Å; L827-L846 HydrophobicContact CD1-CD1 3.84Å; L827-L846 HydrophobicContact CD2-CD1 3.98Å; L827-L846 HydrophobicContact CG-CD1 3.97Å
828	T	89.8	Confident	84.1	Confident	87 Å²	87	89.1 Å²	89.1	53%	0.534	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.9	170.4	50.6	0	0	0	0	108.9	V802 Y826	V802-T828 HydrophobicContact CB-CG2 4.44Å; Y826-T828 HydrophobicContact CD2-CG2 4.09Å; Y826-T828 HydrophobicContact CE2-CG2 3.65Å
829	W	90.9	Very high	84.4	Confident	55 Å²	55	84.6 Å²	84.6	21%	0.208	40%	0.402	C	S	.	.			trans	-62.9	128.7	174.2	-172.9	-94.1	0	0	0	111	W717 A721 L722 V802 V803 L836 F839 Y840	W717-W829 AromaticContact CH2-CD2 3.86Å; W717-W829 HydrophobicContact CH2-CD2 3.86Å; W717-W829 AromaticContact CH2-CE3 3.58Å; W717-W829 HydrophobicContact CH2-CE3 3.58Å; W717-W829 HydrophobicContact CH2-CG 4.43Å; W717-W829 HydrophobicContact CH2-CH2 4.36Å; W717-W829 AromaticContact CH2-CZ3 3.85Å; W717-W829 HydrophobicContact CH2-CZ3 3.85Å; W717-W829 AromaticContact CZ2-CD2 3.47Å; W717-W829 HydrophobicContact CZ2-CD2 3.47Å; W717-W829 VanDerWaalsContact CZ2-CD2 3.47Å; W717-W829 AromaticContact CZ2-CE2 3.62Å; W717-W829 AromaticContact CZ2-CE3 3.68Å; W717-W829 HydrophobicContact CZ2-CE3 3.68Å; W717-W829 AromaticContact CZ2-CG 3.92Å; W717-W829 HydrophobicContact CZ2-CG 3.92Å; W717-W829 HydrophobicContact CZ2-CH2 4.13Å; W717-W829 AromaticContact CZ2-CZ2 3.96Å; W717-W829 HydrophobicContact CZ2-CZ2 3.96Å; W717-W829 AromaticContact CZ2-CZ3 4Å; W717-W829 HydrophobicContact CZ2-CZ3 4Å; A721-W829 HydrophobicContact CB-CH2 3.69Å; A721-W829 HydrophobicContact CB-CZ2 4.04Å; A721-W829 HydrophobicContact CB-CZ3 4.38Å; L722-W829 HydrophobicContact CD2-CZ3 4.03Å; V802-W829 PolarHBondContact O-N 3.4Å; V803-W829 HydrophobicContact CG2-CB 4.42Å; W829-L836 HydrophobicContact CH2-CD2 3.96Å; W829-L836 HydrophobicContact CZ2-CD2 3.5Å; W829-F839 HydrophobicContact CE3-CD1 4.35Å; W829-F839 AromaticContact CE3-CE1 3.67Å; W829-F839 HydrophobicContact CE3-CE1 3.67Å; W829-F839 HydrophobicContact CE3-CE2 4.37Å; W829-F839 AromaticContact CE3-CZ 3.67Å; W829-F839 HydrophobicContact CE3-CZ 3.67Å; W829-F839 HydrophobicContact CH2-CE1 4.43Å; W829-F839 HydrophobicContact CZ3-CD1 4.1Å; W829-F839 AromaticContact CZ3-CE1 3.44Å; W829-F839 HydrophobicContact CZ3-CE1 3.44Å; W829-F839 VanDerWaalsContact CZ3-CE1 3.44Å; W829-F839 AromaticContact CZ3-CZ 3.92Å; W829-F839 HydrophobicContact CZ3-CZ 3.92Å; W829-Y840 WeakPolarHBondContact CH2-OH 3.08Å
830	P	90	Very high	84.7	Confident	22 Å²	22	84 Å²	84	14%	0.143	39%	0.392	C	S	.	.			trans	-69.7	139.5	179.9	27.4	-33	0	0	0	111.6	D835 L836 F839	P830-D835 HydrophobicContact CB-CB 3.78Å; P830-D835 HydrophobicContact CG-CB 4.44Å; P830-L836 HydrophobicContact CG-CD2 3.82Å; P830-L836 HydrophobicContact CG-CG 4.31Å; P830-F839 HydrophobicContact CG-CB 3.99Å; P830-F839 HydrophobicContact CG-CD2 4.47Å; P830-F839 HydrophobicContact CG-CG 4.19Å
831	E	81.4	Confident	84.6	Confident	163 Å²	163	89.7 Å²	89.7	76%	0.762	42%	0.419	S	S	*	.	S	Bend	trans	-83.3	-23.2	173.5	-66.7	-161.8	165.9	0	0	112.2	K805	K805-E831 WeakPolarHBondContact CE-OE1 3.34Å
832	D	81.2	Confident	84.6	Confident	71 Å²	71	93.3 Å²	93.3	38%	0.38	43%	0.431	S	S	.	.	S	Bend	trans	-93.1	128	177.9	-163.5	-42.4	0	0	0	111.3	Q834 D835	D832-Q834 PolarHBondContact O-N 2.96Å; D832-Q834 WeakPolarHBondContact OD1-CB 3.43Å; D832-Q834 PolarHBondContact OD1-N 3.46Å; D832-D835 PolarHBondContact O-N 3.21Å
833	P	80.6	Confident	84.9	Confident	101 Å²	101	87.3 Å²	87.3	66%	0.656	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-56.9	-26.1	175.3	-25.8	34.7	0	0	0	115.3	D835 L836	P833-D835 VanDerWaalsContact C-N 3.27Å; P833-D835 PolarHBondContact O-N 3.21Å; P833-L836 HydrophobicContact CB-CD1 4.34Å; P833-L836 WeakPolarHBondContact O-CB 3.34Å; P833-L836 PolarHBondContact O-N 3.22Å
834	Q	81.3	Confident	85.4	Confident	167 Å²	167	78.8 Å²	78.8	78%	0.78	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-68.8	-26	-179.2	-66.5	175.7	59.8	0	0	112.8	D832	D832-Q834 PolarHBondContact O-N 2.96Å; D832-Q834 WeakPolarHBondContact OD1-CB 3.43Å; D832-Q834 PolarHBondContact OD1-N 3.46Å
835	D	86.5	Confident	85.6	Confident	86 Å²	86	77.4 Å²	77.4	46%	0.46	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-88.4	-4.4	-178.3	-66.4	-31.9	0	0	0	113.2	P830 D832 P833 E837 F839	P830-D835 HydrophobicContact CB-CB 3.78Å; P830-D835 HydrophobicContact CG-CB 4.44Å; D832-D835 PolarHBondContact O-N 3.21Å; P833-D835 VanDerWaalsContact C-N 3.27Å; P833-D835 PolarHBondContact O-N 3.21Å; D835-E837 PolarHBondContact O-N 3.19Å; D835-F839 WeakPolarHBondContact O-CB 3.29Å; D835-F839 PolarHBondContact O-N 1.99Å
836	L	85.5	Confident	85.7	Confident	47 Å²	47	73 Å²	73	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-41.4	-175.9	-79.2	169.4	0	0	0	112.3	W829 P830 P833 F839 Y840	W829-L836 HydrophobicContact CH2-CD2 3.96Å; W829-L836 HydrophobicContact CZ2-CD2 3.5Å; P830-L836 HydrophobicContact CG-CD2 3.82Å; P830-L836 HydrophobicContact CG-CG 4.31Å; P833-L836 HydrophobicContact CB-CD1 4.34Å; P833-L836 WeakPolarHBondContact O-CB 3.34Å; P833-L836 PolarHBondContact O-N 3.22Å; L836-F839 WeakPolarHBondContact O-CB 3.32Å; L836-F839 PolarHBondContact O-N 3.13Å; L836-Y840 HydrophobicContact CB-CE2 4.21Å; L836-Y840 HydrophobicContact CD2-CE2 4.34Å; L836-Y840 WeakPolarHBondContact O-CD2 3.17Å; L836-Y840 PolarHBondContact O-N 3.42Å
837	E	83.4	Confident	85.5	Confident	112 Å²	112	69.4 Å²	69.4	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-46.6	-176.3	-159.8	57.9	-149.2	0	0	111.2	K725 D835 F839 Y840 E841	K725-E837 IonicContact NZ-OE2 3.85Å; K725-E837 PolarHBondContact NZ-OE2 3.42Å; D835-E837 PolarHBondContact O-N 3.19Å; E837-F839 VanDerWaalsContact C-N 3.27Å; E837-F839 PolarHBondContact O-N 3.25Å; E837-Y840 PolarHBondContact O-N 3.36Å; E837-Y840 VanDerWaalsContact O-N 3.16Å; E837-E841 PolarHBondContact O-N 3.02Å
838	W	85.4	Confident	84.9	Confident	153 Å²	153	73.6 Å²	73.6	58%	0.58	36%	0.364	S	S	*	.	H	α-helix	trans	-60.1	-37.5	173.3	-179.5	86.1	0	0	0	112.6	R842	W838-R842 WeakPolarHBondContact O-CB 3.47Å; W838-R842 PolarHBondContact O-N 2.98Å
839	F	91.4	Very high	84.2	Confident	5 Å²	5	77 Å²	77	2%	0.022	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-46	174.9	168.4	-88.4	0	0	0	111.9	L801 L827 W829 P830 D835 L836 E837 R842 L843	L801-F839 HydrophobicContact CD1-CE2 3.56Å; L801-F839 HydrophobicContact CD1-CZ 3.5Å; L801-F839 VanDerWaalsContact CD1-CZ 3.5Å; L801-F839 HydrophobicContact CD2-CZ 3.99Å; L801-F839 HydrophobicContact CG-CZ 4.4Å; L827-F839 HydrophobicContact CB-CE2 4.21Å; L827-F839 HydrophobicContact CD1-CE2 4.32Å; W829-F839 HydrophobicContact CE3-CD1 4.35Å; W829-F839 AromaticContact CE3-CE1 3.67Å; W829-F839 HydrophobicContact CE3-CE1 3.67Å; W829-F839 HydrophobicContact CE3-CE2 4.37Å; W829-F839 AromaticContact CE3-CZ 3.67Å; W829-F839 HydrophobicContact CE3-CZ 3.67Å; W829-F839 HydrophobicContact CH2-CE1 4.43Å; W829-F839 HydrophobicContact CZ3-CD1 4.1Å; W829-F839 AromaticContact CZ3-CE1 3.44Å; W829-F839 HydrophobicContact CZ3-CE1 3.44Å; W829-F839 VanDerWaalsContact CZ3-CE1 3.44Å; W829-F839 AromaticContact CZ3-CZ 3.92Å; W829-F839 HydrophobicContact CZ3-CZ 3.92Å; P830-F839 HydrophobicContact CG-CB 3.99Å; P830-F839 HydrophobicContact CG-CD2 4.47Å; P830-F839 HydrophobicContact CG-CG 4.19Å; D835-F839 WeakPolarHBondContact O-CB 3.29Å; D835-F839 PolarHBondContact O-N 1.99Å; L836-F839 WeakPolarHBondContact O-CB 3.32Å; L836-F839 PolarHBondContact O-N 3.13Å; E837-F839 VanDerWaalsContact C-N 3.27Å; E837-F839 PolarHBondContact O-N 3.25Å; F839-R842 PolarHBondContact O-N 3.03Å; F839-L843 HydrophobicContact CE1-CD2 4.04Å; F839-L843 HydrophobicContact CZ-CD2 4.26Å; F839-L843 WeakPolarHBondContact O-CB 3.06Å; F839-L843 PolarHBondContact O-N 3.47Å
840	Y	87.5	Confident	83	Confident	22 Å²	22	79.4 Å²	79.4	9%	0.086	38%	0.384	C	S	.	.	H	α-helix	trans	-65.1	-44.1	178.4	-71.1	-66.2	0	0	0	111.8	A721 L722 K725 W829 L836 E837 R842 L843 V844	A721-Y840 PolarHBondContact O-OH 2.72Å; L722-Y840 HydrophobicContact CD2-CE1 4.32Å; K725-Y840 HydrophobicContact CB-CE1 4.16Å; K725-Y840 HydrophobicContact CD-CD1 4.42Å; K725-Y840 HydrophobicContact CD-CD2 4.03Å; K725-Y840 HydrophobicContact CD-CE1 4.1Å; K725-Y840 HydrophobicContact CD-CE2 3.72Å; K725-Y840 HydrophobicContact CD-CG 4.4Å; K725-Y840 HydrophobicContact CG-CE1 4.39Å; W829-Y840 WeakPolarHBondContact CH2-OH 3.08Å; L836-Y840 HydrophobicContact CB-CE2 4.21Å; L836-Y840 HydrophobicContact CD2-CE2 4.34Å; L836-Y840 WeakPolarHBondContact O-CD2 3.17Å; L836-Y840 PolarHBondContact O-N 3.42Å; E837-Y840 PolarHBondContact O-N 3.36Å; E837-Y840 VanDerWaalsContact O-N 3.16Å; Y840-R842 VanDerWaalsContact C-N 3.27Å; Y840-R842 PolarHBondContact O-N 3.07Å; Y840-L843 PolarHBondContact O-N 3.09Å; Y840-L843 VanDerWaalsContact O-N 3.16Å; Y840-V844 WeakPolarHBondContact O-CB 3.49Å; Y840-V844 VanDerWaalsContact O-CG2 3.22Å; Y840-V844 WeakPolarHBondContact O-CG2 3.2Å; Y840-V844 PolarHBondContact O-N 2.86Å
841	E	83.4	Confident	81.6	Confident	126 Å²	126	81.4 Å²	81.4	59%	0.589	40%	0.396	S	S	*	.	H	α-helix	trans	-56.7	-43.4	175.1	-72.6	-172	165.3	0	0	111.7	E837 S845	E837-E841 PolarHBondContact O-N 3.02Å; E841-S845 WeakPolarHBondContact O-CB 3.43Å; E841-S845 PolarHBondContact O-N 3.11Å
842	R	85.8	Confident	80.5	Confident	93 Å²	93	82.5 Å²	82.5	35%	0.351	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-41.2	177.5	-172	173.4	178.7	179.2	-0.2	112	E825 L827 W838 F839 Y840 L846	E825-R842 IonicContact OE2-NH2 2.69Å; E825-R842 PolarHBondContact OE2-NH2 2.97Å; L827-R842 HydrophobicContact CD2-CG 4.13Å; W838-R842 WeakPolarHBondContact O-CB 3.47Å; W838-R842 PolarHBondContact O-N 2.98Å; F839-R842 PolarHBondContact O-N 3.03Å; Y840-R842 VanDerWaalsContact C-N 3.27Å; Y840-R842 PolarHBondContact O-N 3.07Å; R842-L846 HydrophobicContact CG-CD1 4.47Å; R842-L846 WeakPolarHBondContact O-CG 3.27Å; R842-L846 PolarHBondContact O-N 3.23Å
843	L	87.6	Confident	79.2	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-65	-48.2	177.6	179	60.8	0	0	0	111.5	L722 L726 L766 V799 L827 F839 Y840 S845 L846 I847	L722-L843 HydrophobicContact CD2-CD2 3.97Å; L726-L843 HydrophobicContact CD1-CD2 3.83Å; L766-L843 HydrophobicContact CD1-CD1 3.97Å; L766-L843 HydrophobicContact CD2-CD1 3.98Å; L766-L843 HydrophobicContact CD2-CD2 4.35Å; V799-L843 HydrophobicContact CG1-CD1 4.46Å; L827-L843 HydrophobicContact CD1-CB 4.19Å; L827-L843 HydrophobicContact CD1-CD1 3.71Å; F839-L843 HydrophobicContact CE1-CD2 4.04Å; F839-L843 HydrophobicContact CZ-CD2 4.26Å; F839-L843 WeakPolarHBondContact O-CB 3.06Å; F839-L843 PolarHBondContact O-N 3.47Å; Y840-L843 PolarHBondContact O-N 3.09Å; Y840-L843 VanDerWaalsContact O-N 3.16Å; L843-S845 VanDerWaalsContact C-N 3.33Å; L843-S845 PolarHBondContact O-N 3.18Å; L843-L846 PolarHBondContact O-N 3.33Å; L843-I847 HydrophobicContact CD1-CD1 4.19Å; L843-I847 HydrophobicContact CG-CD1 4.13Å; L843-I847 WeakPolarHBondContact O-CG1 3.35Å; L843-I847 PolarHBondContact O-N 2.79Å
844	V	85.6	Confident	77.7	Confident	30 Å²	30	84 Å²	84	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-58.2	-45.6	175.7	169.4	0	0	0	0	110.4	L726 F736 Y840 L846 I847 L848	L726-V844 HydrophobicContact CD2-CG2 4.19Å; F736-V844 HydrophobicContact CE2-CB 4.39Å; F736-V844 HydrophobicContact CE2-CG1 4.31Å; F736-V844 HydrophobicContact CE2-CG2 3.98Å; F736-V844 HydrophobicContact CZ-CB 4.42Å; F736-V844 HydrophobicContact CZ-CG1 3.97Å; F736-V844 HydrophobicContact CZ-CG2 4.46Å; Y840-V844 WeakPolarHBondContact O-CB 3.49Å; Y840-V844 VanDerWaalsContact O-CG2 3.22Å; Y840-V844 WeakPolarHBondContact O-CG2 3.2Å; Y840-V844 PolarHBondContact O-N 2.86Å; V844-L846 VanDerWaalsContact C-N 3.34Å; V844-L846 PolarHBondContact O-N 2.84Å; V844-I847 PolarHBondContact O-N 3.2Å; V844-L848 HydrophobicContact CG1-CD1 3.77Å; V844-L848 HydrophobicContact CG1-CG 4.45Å; V844-L848 WeakPolarHBondContact O-CB 3.4Å; V844-L848 WeakPolarHBondContact O-CG 3.44Å; V844-L848 PolarHBondContact O-N 3.04Å
845	S	82.2	Confident	75.9	Confident	37 Å²	37	84.2 Å²	84.2	26%	0.259	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-39.7	176.7	-174.3	0	0	0	0	112.7	E841 L843 L848 R849	E841-S845 WeakPolarHBondContact O-CB 3.43Å; E841-S845 PolarHBondContact O-N 3.11Å; L843-S845 VanDerWaalsContact C-N 3.33Å; L843-S845 PolarHBondContact O-N 3.18Å; S845-L848 PolarHBondContact O-N 3.28Å; S845-R849 VanDerWaalsContact O-CB 3.26Å; S845-R849 WeakPolarHBondContact O-CB 3.41Å; S845-R849 WeakPolarHBondContact O-CG 3.21Å; S845-R849 PolarHBondContact O-N 2.96Å; S845-R849 PolarHBondContact OG-NE 2.79Å
846	L	83.3	Confident	73.7	Confident	68 Å²	68	88.6 Å²	88.6	36%	0.356	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-36	175.9	-75.2	171.1	0	0	0	112.6	L827 R842 L843 V844	L827-L846 HydrophobicContact CD1-CD1 3.84Å; L827-L846 HydrophobicContact CD2-CD1 3.98Å; L827-L846 HydrophobicContact CG-CD1 3.97Å; R842-L846 HydrophobicContact CG-CD1 4.47Å; R842-L846 WeakPolarHBondContact O-CG 3.27Å; R842-L846 PolarHBondContact O-N 3.23Å; L843-L846 PolarHBondContact O-N 3.33Å; V844-L846 VanDerWaalsContact C-N 3.34Å; V844-L846 PolarHBondContact O-N 2.84Å
847	I	82.1	Confident	71.1	Confident	4 Å²	4	90.8 Å²	90.8	2%	0.021	43%	0.431	C	S	.	.	H	α-helix	trans	-68.1	-43.7	175.3	-66.2	168.3	0	0	0	109.8	A706 F736 R763 K764 L843 V844	A706-I847 HydrophobicContact CB-CG2 4.45Å; F736-I847 HydrophobicContact CD1-CG2 4.3Å; F736-I847 HydrophobicContact CD2-CD1 4.46Å; F736-I847 HydrophobicContact CE1-CG2 3.8Å; F736-I847 HydrophobicContact CE2-CB 4.37Å; F736-I847 HydrophobicContact CE2-CD1 4.03Å; F736-I847 HydrophobicContact CE2-CG2 4.21Å; F736-I847 HydrophobicContact CZ-CB 4.01Å; F736-I847 HydrophobicContact CZ-CG2 3.74Å; R763-I847 PolarHBondContact NH1-O 3.38Å; K764-I847 WeakPolarHBondContact CE-O 3.33Å; K764-I847 HydrophobicContact CG-CG2 4.25Å; K764-I847 WeakPolarHBondContact CG-O 3.35Å; L843-I847 HydrophobicContact CD1-CD1 4.19Å; L843-I847 HydrophobicContact CG-CD1 4.13Å; L843-I847 WeakPolarHBondContact O-CG1 3.35Å; L843-I847 PolarHBondContact O-N 2.79Å; V844-I847 PolarHBondContact O-N 3.2Å
848	L	78.1	Confident	68.9	Low	96 Å²	96	94.8 Å²	94.8	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-77.2	-22.3	-177.5	-71.1	175.2	0	0	0	115.1	F736 R763 V844 S845	F736-L848 HydrophobicContact CE1-CD2 3.72Å; F736-L848 HydrophobicContact CE1-CG 3.96Å; F736-L848 HydrophobicContact CZ-CD1 4.39Å; F736-L848 HydrophobicContact CZ-CD2 4.26Å; F736-L848 HydrophobicContact CZ-CG 3.97Å; R763-L848 VanDerWaalsContact NH1-CA 3.34Å; R763-L848 PolarHBondContact NH1-O 3.35Å; R763-L848 PolarHBondContact NH2-O 2.88Å; V844-L848 HydrophobicContact CG1-CD1 3.77Å; V844-L848 HydrophobicContact CG1-CG 4.45Å; V844-L848 WeakPolarHBondContact O-CB 3.4Å; V844-L848 WeakPolarHBondContact O-CG 3.44Å; V844-L848 PolarHBondContact O-N 3.04Å; S845-L848 PolarHBondContact O-N 3.28Å
849	R	76	Confident	66.3	Low	160 Å²	160	95.4 Å²	95.4	60%	0.604	47%	0.465	S	S	*	.			trans	-85.4	126.9	-178.3	-76.8	175	178.8	-172.2	2.8	113.5	K764 S845	K764-R849 WeakPolarHBondContact CE-O 3.45Å; K764-R849 PolarHBondContact NZ-O 2.69Å; S845-R849 VanDerWaalsContact O-CB 3.26Å; S845-R849 WeakPolarHBondContact O-CB 3.41Å; S845-R849 WeakPolarHBondContact O-CG 3.21Å; S845-R849 PolarHBondContact O-N 2.96Å; S845-R849 PolarHBondContact OG-NE 2.79Å
850	D	64.9	Low	63.4	Low	104 Å²	104	104.5 Å²	104.5	56%	0.556	50%	0.504	S	S	*	.			trans	-95.6	96	166.2	-70.2	-35.9	0	0	0	110.9	R763 K764	R763-D850 IonicContact CZ-OD1 3.09Å; R763-D850 IonicContact CZ-OD2 3.43Å; R763-D850 IonicContact NE-OD1 3.83Å; R763-D850 IonicContact NE-OD2 3.48Å; R763-D850 IonicContact NH2-OD1 3.16Å; R763-D850 PolarHBondContact NH2-OD1 3.1Å; R763-D850 IonicContact NH2-OD2 3.71Å; R763-D850 PolarHBondContact NH2-OD2 2.64Å; K764-D850 IonicContact NZ-OD1 2.92Å; K764-D850 PolarHBondContact NZ-OD1 3.21Å
851	T	60.9	Low	60.7	Low	64 Å²	64	109 Å²	109	39%	0.393	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-100.4	124.7	177.3	32	0	0	0	0	110.2	N796	N796-T851 PolarHBondContact N-O 2.95Å; N796-T851 PolarHBondContact ND2-OG1 3.21Å
852	K	57.9	Low	58.1	Low	187 Å²	187	112.6 Å²	112.6	81%	0.813	55%	0.553	S	S	*	*	B	Isolated β-bridge	trans	-69.5	128.9	174.3	-71.4	-174.4	177.8	-178.2	0	110.2	L794 K854	L794-K852 CarbonylContact O-C 3.57Å; L794-K852 WeakPolarHBondContact O-CA 3.39Å; K852-K854 PolarHBondContact O-N 3.16Å
853	V	54.2	Low	55.4	Low	26 Å²	26	114.2 Å²	114.2	16%	0.158	57%	0.574	C	S	.	*	P	Polyproline II helix	trans	-72.2	123.1	172.5	179.9	0	0	0	0	108.4	L794 N796 K855	L794-V853 HydrophobicContact CB-CB 4.48Å; L794-V853 PolarHBondContact O-N 2.82Å; N796-V853 WeakPolarHBondContact OD1-CG2 3.24Å; V853-K855 PolarHBondContact O-N 3.07Å
854	K	48.2	Very low	52.6	Low	176 Å²	176	121.5 Å²	121.5	77%	0.765	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-65.2	122.3	174.4	-73.9	-176.8	-179.5	176.1	0	109.6	K852 F856	K852-K854 PolarHBondContact O-N 3.16Å; K854-F856 HydrophobicContact CB-CD2 4.01Å; K854-F856 HydrophobicContact CB-CE2 3.82Å; K854-F856 HydrophobicContact CD-CE2 4.05Å; K854-F856 PolarHBondContact O-N 2.75Å
855	K	43.3	Very low	50	Low	172 Å²	172	129.2 Å²	129.2	75%	0.748	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-64	123.1	169.5	-118.6	179.3	178.9	178.1	0	109	L794 V853	L794-K855 HydrophobicContact CD1-CD 4.26Å; L794-K855 HydrophobicContact CD1-CG 4.27Å; L794-K855 HydrophobicContact CD2-CG 4.25Å; V853-K855 PolarHBondContact O-N 3.07Å
856	F	41.4	Very low	48.2	Very low	179 Å²	179	133 Å²	133	79%	0.785	67%	0.672	S	S	*	*			trans	-135	128.8	165.9	-82.8	-74.6	0	0	0	111.9	K854	K854-F856 HydrophobicContact CB-CD2 4.01Å; K854-F856 HydrophobicContact CB-CE2 3.82Å; K854-F856 HydrophobicContact CD-CE2 4.05Å; K854-F856 PolarHBondContact O-N 2.75Å
857	A	31.5	Very low	45.6	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	70%	0.697	S	S	*	*			trans	18.8	124.5	162	0	0	0	0	0	120.2	D859	A857-D859 PolarHBondContact O-N 3.05Å
858	E	36	Very low	43.1	Very low	196 Å²	196	143 Å²	143	92%	0.916	73%	0.734	S	S	*	*			trans	-48.2	125	156	-65.4	170.5	151.4	0	0	110.9
859	D	31.7	Very low	40.7	Very low	166 Å²	166	147.5 Å²	147.5	89%	0.888	75%	0.753	S	S	*	*			trans	-108.9	133	153	-100.3	-29.1	0	0	0	108.5	A857	A857-D859 PolarHBondContact O-N 3.05Å
860	K	28.8	Very low	38.8	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56	147.5	-169.6	-76	171.8	174	174.4	0	113.2	E862	K860-E862 PolarHBondContact O-N 3.18Å
861	P	32.7	Very low	38.6	Very low	118 Å²	118	146.4 Å²	146.4	77%	0.766	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-77.1	122.7	175.2	30.9	-30.3	0	0	0	110.4
862	E	28.3	Very low	37	Very low	201 Å²	201	147.9 Å²	147.9	94%	0.939	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-89.1	116.1	157.2	-84.3	-169.8	165	0	0	109.5	K860	K860-E862 PolarHBondContact O-N 3.18Å
863	T	28.7	Very low	35.6	Very low	127 Å²	127	147.8 Å²	147.8	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.9	121.4	173.8	43.8	0	0	0	0	111.2
864	V	28.9	Very low	34.6	Very low	152 Å²	152	154.5 Å²	154.5	92%	0.921	82%	0.82	S	S	*	*			trans	-145.5	145.5	147.8	-173.2	0	0	0	0	110
865	K	29.9	Very low	33.6	Very low	192 Å²	192	155.6 Å²	155.6	84%	0.835	83%	0.825	S	S	*	*			trans	-71.3	167.7	-154.6	-84.7	175.7	177.7	178.6	0	118.4
866	P	44.7	Very low	33.4	Very low	117 Å²	117	154.3 Å²	154.3	76%	0.76	83%	0.825	S	S	*	*			trans	-88.4	145.9	-176.6	36.4	-32	0	0	0	112.1
867	D	28.6	Very low	33.1	Very low	163 Å²	163	151.7 Å²	151.7	87%	0.872	83%	0.826	S	S	*	*			trans	-161.9	133.6	144.9	-128.8	-15.4	0	0	0	112.1
868	C	29.6	Very low	32.9	Very low	119 Å²	119	154.6 Å²	154.6	80%	0.804	83%	0.827	S	S	*	*			trans	-91.5	128.7	166.8	-75.1	0	0	0	0	108.6
869	Q	27.6	Very low	32.7	Very low	190 Å²	190	153 Å²	153	89%	0.888	82%	0.82	S	S	*	*			trans	-148.4	153.4	147	-83.2	-157.2	-13.4	0	0	113.2
870	P	37.7	Very low	32.6	Very low	117 Å²	117	150.5 Å²	150.5	76%	0.76	81%	0.807	S	S	*	*			trans	-106.9	-168.9	-161.7	47.9	-36.8	0	0	0	111.8
871	P	59.5	Low	32.6	Very low	124 Å²	124	147.7 Å²	147.7	81%	0.805	80%	0.799	S	S	*	*				-94	155.1	-129.6	38.9	-24.5	0	0	0	115.8
872	A	26.8	Very low	32.5	Very low	96 Å²	96	153.9 Å²	153.9	79%	0.793	81%	0.808	S	S	*	*			trans	-166.1	129.2	154.8	0	0	0	0	0	116.1
873	K	28.8	Very low	32.6	Very low	185 Å²	185	149.5 Å²	149.5	80%	0.804	79%	0.794	S	S	*	*			trans	59.1	124.3	134.9	-68.6	-174.3	175.9	-176.6	0	123.5
874	E	34	Very low	32.8	Very low	167 Å²	167	150.9 Å²	150.9	78%	0.78	80%	0.797	S	S	*	*			trans	43.3	124.8	133.6	-67	178.9	154.7	0	0	120.2
875	K	27.5	Very low	33	Very low	198 Å²	198	150.5 Å²	150.5	86%	0.861	79%	0.79	S	S	*	*				-176.4	135.7	105.1	-99.5	169.8	-176.3	-179.8	0	112.7
876	I	38.9	Very low	33.1	Very low	145 Å²	145	149.2 Å²	149.2	74%	0.744	79%	0.791	S	S	*	*			trans	-58.4	149.8	160.8	-61.4	157.1	0	0	0	109.1
877	P	34	Very low	32.6	Very low	125 Å²	125	148.1 Å²	148.1	81%	0.812	79%	0.792	S	S	*	*				-130.2	148.4	122.3	17.1	2.1	0	0	0	114.2
878	L	29.4	Very low	32.8	Very low	153 Å²	153	143.7 Å²	143.7	80%	0.801	79%	0.785	S	S	*	*			trans	-72.7	174.6	176.6	-93	121.5	0	0	0	113.4
879	E	30.8	Very low	33	Very low	164 Å²	164	146 Å²	146	77%	0.766	79%	0.789	S	S	*	*			trans	99.5	133	158.5	-61.1	-163.8	163.8	0	0	116.2
880	N	29.4	Very low	34.1	Very low	112 Å²	112	141.7 Å²	141.7	60%	0.599	78%	0.778	S	S	*	*			cis	-162.2	133.5	2.6	-113.2	-28.3	0	0	0	110.1
881	I	29.7	Very low	34.3	Very low	136 Å²	136	143.8 Å²	143.8	70%	0.697	78%	0.782	S	S	*	*			trans	39.2	118.1	134.6	-53.9	167.5	0	0	0	119
882	R	29.6	Very low	33.2	Very low	249 Å²	249	150.5 Å²	150.5	94%	0.94	81%	0.806	S	S	*	*				-157.5	133.2	116.3	-109.8	177.2	-165.7	-172.4	4.7	113.8
883	V	31.5	Very low	33.5	Very low	108 Å²	108	153.3 Å²	153.3	66%	0.655	81%	0.806	S	S	*	*			trans	-75.8	142.6	179	170.2	0	0	0	0	110
884	N	31.8	Very low	33.8	Very low	157 Å²	157	151.6 Å²	151.6	84%	0.84	81%	0.806	S	S	*	*				-167.6	116.7	125.6	-93.2	-13.7	0	0	0	112.2
885	N	32.4	Very low	33.8	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	81%	0.808	S	S	*	*			trans	-58	151.6	157.8	-71.5	-34.4	0	0	0	110.7
886	L	33.9	Very low	34.2	Very low	165 Å²	165	147.9 Å²	147.9	86%	0.864	81%	0.805	S	S	*	*				176.2	133.6	114.3	-94.6	154.5	0	0	0	111.6
887	A	33.6	Very low	33.9	Very low	94 Å²	94	148.1 Å²	148.1	78%	0.777	81%	0.809	S	S	*	*			trans	50.4	125.1	146.3	0	0	0	0	0	118
888	G	32.3	Very low	33.9	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	81%	0.808	S	S	*	*			cis	107.9	130.7	40.5	0	0	0	0	0	108.8
889	N	34.9	Very low	34.2	Very low	167 Å²	167	149.4 Å²	149.4	89%	0.893	81%	0.809	S	S	*	*			trans	92.4	152.7	160.9	-90.6	11.1	0	0	0	120.3
890	P	50.4	Low	34.4	Very low	99 Å²	99	148.3 Å²	148.3	64%	0.643	81%	0.812	S	S	*	*				-125	178.4	-122.8	35.4	-15.9	0	0	0	113.5
891	L	40.4	Very low	34.9	Very low	162 Å²	162	151.3 Å²	151.3	85%	0.848	83%	0.83	S	S	*	*			trans	35	108.6	150.3	-71.8	164.6	0	0	0	118
892	M	37.7	Very low	35.3	Very low	265 Å²	265	152.7 Å²	152.7	100%	1.305	84%	0.842	S	S	*	*				-138.9	0	113.7	-109.8	-173.7	177.8	0	0	109.5

Retrieved 892 of 892 residues in 1169.9 ms (Link to these results)

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