A0A087X4G3_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087X4G3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 933 aa.

						>A0A087X4G3_POEFO|A0A087X4G3
MPPASSCDCPHLDCVGEITKEELIQKSHGQCQDCKVRGPNLWACLENGCAYVGCGESHADHSTVHSQETRHNLTVNLTTLRVWCYACGKEVFLERKLGPHSPNAIIEPLPLSQNDVQDNSKAPGSPTSLKLPSNVGYEDLDMETEEEDDLRARGLTGLKNIGNTCYMNAALQALSNCPPLTQFFLECGGLVKTDKKPALCKSYQKLVSDLWHKNRPSYVVPTNLFQGIKAINPMFRGYSQQDSQEFLRCLMDQLHEELKESVPEPSDLSTSIAMDDSPEEDNHSQSDNDFQSCESCGSSERADNEVQGGSIVMDNTNEAEMLIPEQDEIQANREWQKEKNMINDLYRSGVNGVMGGNNGDIDKDVDTTTDTMPIISSQGALKVQGRTSDCFSDIQMSNITRPQSPVTIEGHIPKISSSPLKATSGWLSLNPAHKKAVATFSPPKNKRQRRYRSVISDVFDGTIVSSVQCLTCDRVSVTLENFQDISLPIPGKEDLAKLHSASHQTSLVKAGSCGEAYAAQGWIAFVMEYIRRFVVSCKLVPNERFCFFSSWFWGPVVTLQDCLAAFFARDELKGDNMYSCEKCKKLRNGVKFCKMQNLPEILCIHLKRFRHELMYSTKIGTHVSFPLEGLDLQPFLAKDSSAQTTSYDLLSVICHHGTASSGHYIAYCRNSVNNLWYEFDDQSVTEVPDSCVQNAEAYVLFYKKSSEDAVKERRRVTGLLSMMEPSLLQFYISRQWLNKFRTFAEPGPISNDDFLCVHGAGVPPSKASYIDDLVMMLPQNVWDHLYSRYGGGPAVNHLYVCHTCQIEIEKLEKRRKSELDLFVRLNKAFQEEESPVVIYCISMQWFREWEGFVKGKDNDPPGPIDNSKISVNKNGHFILKQGADSGQISEETWNFLHSIYGGGPLVTVRPSVSHQEVESSQSEEKIEVETRSV
					

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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	32.3	Very low	50.8	Low	238 Å²	238	105.1 Å²	105.1	100%	1.172	66%	0.658	S	S	*	*				0	118	0	-70.6	169.4	167.9	0	0	108.3
2	P	29.7	Very low	52.8	Low	121 Å²	121	99.9 Å²	99.9	79%	0.786	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-73.5	163	153.4	34.7	-32.4	0	0	0	109.7
3	P	36.7	Very low	54	Low	125 Å²	125	103.8 Å²	103.8	81%	0.812	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-73	150.7	176	31.3	-35.1	0	0	0	111.7
4	A	32.7	Very low	54.8	Low	105 Å²	105	100.6 Å²	100.6	87%	0.868	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-73.4	131.6	169	0	0	0	0	0	110.2
5	S	32.9	Very low	55.7	Low	110 Å²	110	96.6 Å²	96.6	77%	0.769	59%	0.594	S	S	*	*			trans	-90.9	103.3	170.9	53.5	0	0	0	0	109.7
6	S	40.5	Very low	56	Low	96 Å²	96	91.3 Å²	91.3	67%	0.671	56%	0.564	S	S	*	*			trans	-63.4	131.5	165.2	48.3	0	0	0	0	109.4	D8	S6-D8 PolarHBondContact O-N 2.99Å
7	C	50.9	Low	56.2	Low	104 Å²	104	97.4 Å²	97.4	70%	0.703	59%	0.585	S	S	*	*			trans	-76.4	-13.9	-178.9	-72.7	0	0	0	0	112.9	K89	C7-K89 PolarHBondContact O-NZ 3.02Å
8	D	66.6	Low	56.6	Low	113 Å²	113	94.6 Å²	94.6	60%	0.604	57%	0.565	S	S	*	*			trans	-69.1	154.2	-167.6	-46	-63.6	0	0	0	112.9	S6	S6-D8 PolarHBondContact O-N 2.99Å
9	C	77.1	Confident	57.1	Low	6 Å²	6	93.4 Å²	93.4	4%	0.041	56%	0.559	C	S	.	*			trans	-96.6	116.8	178.1	179.4	0	0	0	0	109.7	H11 L12 C84 C87 V91	C9-H11 PolarHBondContact O-N 3.32Å; C9-H11 PolarHBondContact SG-ND1 2.92Å; C9-H11 VanDerWaalsContact SG-ND1 3.41Å; C9-L12 HydrophobicContact CB-CD1 4.01Å; C9-L12 HydrophobicContact CB-CG 4.01Å; C9-L12 WeakPolarHBondContact O-CB 3.42Å; C9-L12 WeakPolarHBondContact O-CG 3.47Å; C9-L12 PolarHBondContact O-N 2.59Å; C9-C84 PolarHBondContact SG-SG 2.75Å; C9-C87 VanDerWaalsContact SG-SG 3.6Å; C9-V91 HydrophobicContact CB-CB 4.26Å; C9-V91 HydrophobicContact CB-CG1 3.6Å
10	P	78.6	Confident	57.2	Low	92 Å²	92	96.1 Å²	96.1	60%	0.597	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-5.1	-177.2	30.1	-37.1	0	0	0	113.7
11	H	80.7	Confident	57.5	Low	46 Å²	46	96.7 Å²	96.7	21%	0.213	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	-11.8	173.5	-49.7	106.3	0	0	0	112.7	C9 D13 C14 L73 C84 A86 C87	C9-H11 PolarHBondContact O-N 3.32Å; C9-H11 PolarHBondContact SG-ND1 2.92Å; C9-H11 VanDerWaalsContact SG-ND1 3.41Å; H11-D13 PolarHBondContact O-N 2.68Å; H11-C14 WeakPolarHBondContact O-CB 3.44Å; H11-C14 PolarHBondContact O-N 3.42Å; H11-L73 HydrophobicContact CB-CD1 4.21Å; H11-L73 HydrophobicContact CB-CG 4.25Å; H11-L73 WeakPolarHBondContact O-CD1 3.49Å; H11-C84 PolarHBondContact ND1-SG 2.83Å; H11-C84 VanDerWaalsContact ND1-SG 3.38Å; H11-A86 VanDerWaalsContact CE1-CB 3.42Å; H11-A86 WeakPolarHBondContact CE1-CB 3.24Å; H11-C87 VanDerWaalsContact CE1-SG 3.52Å; H11-C87 PolarHBondContact ND1-SG 3.29Å; H11-C87 VanDerWaalsContact ND1-SG 3.42Å
12	L	75.4	Confident	59.2	Low	43 Å²	43	88.3 Å²	88.3	23%	0.225	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-64.2	-29.7	177.8	-71.1	169.5	0	0	0	112	C9 C14 V15 L73 V91 L93	C9-L12 HydrophobicContact CB-CD1 4.01Å; C9-L12 HydrophobicContact CB-CG 4.01Å; C9-L12 WeakPolarHBondContact O-CB 3.42Å; C9-L12 WeakPolarHBondContact O-CG 3.47Å; C9-L12 PolarHBondContact O-N 2.59Å; L12-C14 PolarHBondContact O-N 3.1Å; L12-C14 VanDerWaalsContact O-N 3.15Å; L12-V15 WeakPolarHBondContact O-CB 3.48Å; L12-V15 WeakPolarHBondContact O-CG2 3.09Å; L12-V15 PolarHBondContact O-N 3.33Å; L12-V15 VanDerWaalsContact O-N 3.11Å; L12-L73 HydrophobicContact CD2-CD1 4.18Å; L12-V91 HydrophobicContact CD2-CG2 4.03Å; L12-L93 HydrophobicContact CD2-CD2 3.99Å
13	D	67.9	Low	61.1	Low	151 Å²	151	84.3 Å²	84.3	81%	0.807	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-67	-9.3	174.2	-59.3	-37.9	0	0	0	113.4	H11	H11-D13 PolarHBondContact O-N 2.68Å
14	C	64.8	Low	62.5	Low	59 Å²	59	82.2 Å²	82.2	40%	0.399	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-92.2	-5.7	174.5	-52.9	0	0	0	0	113.4	H11 L12 G16	H11-C14 WeakPolarHBondContact O-CB 3.44Å; H11-C14 PolarHBondContact O-N 3.42Å; L12-C14 PolarHBondContact O-N 3.1Å; L12-C14 VanDerWaalsContact O-N 3.15Å; C14-G16 PolarHBondContact O-N 3.05Å
15	V	68.8	Low	64.2	Low	40 Å²	40	84.4 Å²	84.4	24%	0.242	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-73.2	124.3	179.3	179.9	0	0	0	0	110	L12 I18 L45 L73	L12-V15 WeakPolarHBondContact O-CB 3.48Å; L12-V15 WeakPolarHBondContact O-CG2 3.09Å; L12-V15 PolarHBondContact O-N 3.33Å; L12-V15 VanDerWaalsContact O-N 3.11Å; V15-I18 HydrophobicContact CG1-CD1 4.38Å; V15-L45 HydrophobicContact CG1-CB 4.35Å; V15-L45 HydrophobicContact CG2-CB 4.28Å; V15-L45 HydrophobicContact CG2-CD1 4.44Å; V15-L73 HydrophobicContact CG2-CD1 3.36Å
16	G	60.7	Low	65.9	Low	11 Å²	11	80.2 Å²	80.2	11%	0.113	43%	0.432	C	S	.	.			trans	-74.1	170.7	174.5	0	0	0	0	0	113.3	C14 I18	C14-G16 PolarHBondContact O-N 3.05Å; G16-I18 VanDerWaalsContact C-N 3.34Å; G16-I18 PolarHBondContact O-N 3.03Å
17	E	59.6	Low	67.2	Low	196 Å²	196	78 Å²	78	92%	0.916	42%	0.416	S	S	*	.			trans	-66.3	90	170.6	-70.3	-168.5	158.1	0	0	110.9
18	I	63.6	Low	68	Low	46 Å²	46	80.2 Å²	80.2	24%	0.236	42%	0.415	C	S	.	.			trans	-96.1	113.7	-179.2	-69.9	168.1	0	0	0	109.3	V15 G16 L23 L45	V15-I18 HydrophobicContact CG1-CD1 4.38Å; G16-I18 VanDerWaalsContact C-N 3.34Å; G16-I18 PolarHBondContact O-N 3.03Å; I18-L23 HydrophobicContact CG2-CD1 3.98Å; I18-L23 HydrophobicContact CG2-CD2 3.86Å; I18-L23 HydrophobicContact CG2-CG 3.66Å; I18-L45 HydrophobicContact CD1-CB 4.08Å; I18-L45 HydrophobicContact CD1-CD2 3.56Å; I18-L45 HydrophobicContact CD1-CG 4.44Å; I18-L45 WeakPolarHBondContact CD1-O 3.46Å
19	T	64.9	Low	68.4	Low	73 Å²	73	76.2 Å²	76.2	45%	0.448	40%	0.401	S	S	.	.			trans	-72.5	150.4	-179.5	63.9	0	0	0	0	111.7	E21 E22 L23	T19-E21 PolarHBondContact O-N 2.62Å; T19-E22 PolarHBondContact O-N 3.12Å; T19-E22 WeakPolarHBondContact OG1-CB 3.19Å; T19-E22 PolarHBondContact OG1-N 2.97Å; T19-L23 PolarHBondContact O-N 3.26Å
20	K	59.8	Low	68.9	Low	146 Å²	146	79.1 Å²	79.1	64%	0.635	41%	0.414	S	S	*	.	H	α-helix	trans	-59.3	-35.7	175	-179.9	-171.3	176	-168.8	0	110.7	L23 I24	K20-L23 PolarHBondContact O-N 3.3Å; K20-I24 HydrophobicContact CG-CD1 4Å; K20-I24 VanDerWaalsContact O-CG1 3.27Å; K20-I24 WeakPolarHBondContact O-CG1 3.16Å; K20-I24 PolarHBondContact O-N 3.02Å
21	E	63.8	Low	69.4	Low	109 Å²	109	74.8 Å²	74.8	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-67.5	-38.9	-179.1	-67.2	58.1	-128.9	0	0	111.2	T19 I24 Q25	T19-E21 PolarHBondContact O-N 2.62Å; E21-I24 PolarHBondContact O-N 3.21Å; E21-Q25 WeakPolarHBondContact O-CG 3.48Å; E21-Q25 PolarHBondContact O-N 3.44Å
22	E	66.7	Low	69.9	Low	63 Å²	63	76.7 Å²	76.7	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-67.2	-41.7	174.1	-171	-172.9	165	0	0	112	T19 I24 Q25 K26	T19-E22 PolarHBondContact O-N 3.12Å; T19-E22 WeakPolarHBondContact OG1-CB 3.19Å; T19-E22 PolarHBondContact OG1-N 2.97Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.15Å; E22-Q25 PolarHBondContact O-N 3.07Å; E22-K26 HydrophobicContact CG-CD 4.45Å; E22-K26 WeakPolarHBondContact O-CG 3.09Å; E22-K26 PolarHBondContact O-N 3.12Å; E22-K26 WeakPolarHBondContact OE1-CE 3.43Å; E22-K26 IonicContact OE1-NZ 2.64Å; E22-K26 PolarHBondContact OE1-NZ 3.46Å
23	L	69.4	Low	70.6	Confident	37 Å²	37	78.7 Å²	78.7	19%	0.194	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-37.3	174.7	-69	175.5	0	0	0	112.1	I18 T19 K20 Q25 K26 S27 V75 L77	I18-L23 HydrophobicContact CG2-CD1 3.98Å; I18-L23 HydrophobicContact CG2-CD2 3.86Å; I18-L23 HydrophobicContact CG2-CG 3.66Å; T19-L23 PolarHBondContact O-N 3.26Å; K20-L23 PolarHBondContact O-N 3.3Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; L23-K26 PolarHBondContact O-N 3.44Å; L23-S27 WeakPolarHBondContact O-CB 3.26Å; L23-S27 PolarHBondContact O-N 2.9Å; L23-S27 PolarHBondContact O-OG 2.85Å; L23-V75 HydrophobicContact CD2-CG1 3.77Å; L23-L77 HydrophobicContact CD2-CD2 4.2Å
24	I	67.3	Low	71.6	Confident	81 Å²	81	74 Å²	74	42%	0.415	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-36.2	173.3	-70.2	165.6	0	0	0	111.3	K20 E21 E22 S27 H28	K20-I24 HydrophobicContact CG-CD1 4Å; K20-I24 VanDerWaalsContact O-CG1 3.27Å; K20-I24 WeakPolarHBondContact O-CG1 3.16Å; K20-I24 PolarHBondContact O-N 3.02Å; E21-I24 PolarHBondContact O-N 3.21Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.15Å; I24-S27 PolarHBondContact O-OG 3.44Å; I24-S27 VanDerWaalsContact O-OG 3.05Å; I24-H28 PolarHBondContact O-ND1 2.93Å
25	Q	67.4	Low	72.7	Confident	150 Å²	150	76.9 Å²	76.9	70%	0.701	39%	0.39	S	S	*	.	H	α-helix	trans	-68.2	-43.3	172.8	-71.6	180	24.7	0	0	111.8	E21 E22 L23 S27 H28	E21-Q25 WeakPolarHBondContact O-CG 3.48Å; E21-Q25 PolarHBondContact O-N 3.44Å; E22-Q25 PolarHBondContact O-N 3.07Å; L23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-S27 PolarHBondContact O-N 3.13Å; Q25-H28 PolarHBondContact O-N 2.92Å
26	K	69.4	Low	73.4	Confident	23 Å²	23	77.1 Å²	77.1	10%	0.1	39%	0.391	C	S	.	.	H	α-helix	trans	-64.2	-35.8	178.2	-71.9	178.1	-175.8	169.9	0	112.4	E22 L23 H28 G29 A43 C49 V52 L77	E22-K26 HydrophobicContact CG-CD 4.45Å; E22-K26 WeakPolarHBondContact O-CG 3.09Å; E22-K26 PolarHBondContact O-N 3.12Å; E22-K26 WeakPolarHBondContact OE1-CE 3.43Å; E22-K26 IonicContact OE1-NZ 2.64Å; E22-K26 PolarHBondContact OE1-NZ 3.46Å; L23-K26 PolarHBondContact O-N 3.44Å; K26-H28 VanDerWaalsContact C-N 3.32Å; K26-H28 PolarHBondContact O-N 3.3Å; K26-G29 PolarHBondContact O-N 3.33Å; K26-A43 HydrophobicContact CD-CB 3.89Å; K26-C49 PolarHBondContact NZ-O 3.4Å; K26-V52 HydrophobicContact CB-CG2 4.18Å; K26-V52 HydrophobicContact CD-CG2 4.28Å; K26-V52 HydrophobicContact CG-CG2 4.17Å; K26-L77 HydrophobicContact CB-CD1 4.1Å; K26-L77 HydrophobicContact CB-CD2 3.86Å
27	S	67.4	Low	74.2	Confident	48 Å²	48	84.9 Å²	84.9	34%	0.336	42%	0.417	S	S	.	.	H	α-helix	trans	-68.9	-23.2	-178.7	69.4	0	0	0	0	114.8	L23 I24 Q25 G29	L23-S27 WeakPolarHBondContact O-CB 3.26Å; L23-S27 PolarHBondContact O-N 2.9Å; L23-S27 PolarHBondContact O-OG 2.85Å; I24-S27 PolarHBondContact O-OG 3.44Å; I24-S27 VanDerWaalsContact O-OG 3.05Å; Q25-S27 PolarHBondContact O-N 3.13Å; S27-G29 PolarHBondContact O-N 3.08Å
28	H	68.4	Low	74.7	Confident	151 Å²	151	77.4 Å²	77.4	70%	0.699	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	1.3	171.6	-68.3	81.4	0	0	0	113.4	I24 Q25 K26	I24-H28 PolarHBondContact O-ND1 2.93Å; Q25-H28 PolarHBondContact O-N 2.92Å; K26-H28 VanDerWaalsContact C-N 3.32Å; K26-H28 PolarHBondContact O-N 3.3Å
29	G	74.9	Confident	74.6	Confident	30 Å²	30	79.4 Å²	79.4	31%	0.309	41%	0.409	S	S	.	.	S	Bend	trans	-79.6	-159.1	-176.9	0	0	0	0	0	115	K26 S27	K26-G29 PolarHBondContact O-N 3.33Å; S27-G29 PolarHBondContact O-N 3.08Å
30	Q	87.7	Confident	75.2	Confident	67 Å²	67	78.7 Å²	78.7	31%	0.313	40%	0.402	S	S	.	.			trans	-148.2	153.2	175.1	67.5	-166.9	18.8	0	0	108	Q32 K35 V36 R37	Q30-Q32 PolarHBondContact O-N 3.26Å; Q30-K35 HydrophobicContact CG-CB 4.49Å; Q30-V36 WeakPolarHBondContact CA-O 3.37Å; Q30-R37 HydrophobicContact CB-CG 3.54Å; Q30-R37 VanDerWaalsContact OE1-CZ 3.29Å
31	C	89.3	Confident	76.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.374	C	S	.	.			trans	-52.9	132	178.6	169	0	0	0	0	110.5	D33 C34 K35 V36 L41 V52 C54	C31-D33 PolarHBondContact O-N 3.49Å; C31-C34 VanDerWaalsContact SG-SG 3.64Å; C31-K35 WeakPolarHBondContact O-CA 3.34Å; C31-K35 PolarHBondContact O-N 2.88Å; C31-V36 PolarHBondContact N-O 3.23Å; C31-L41 HydrophobicContact CB-CD2 3.85Å; C31-V52 WeakPolarHBondContact CA-O 3.26Å; C31-C54 HydrophobicContact CB-CB 3.9Å; C31-C54 PolarHBondContact SG-N 2.87Å; C31-C54 VanDerWaalsContact SG-N 3.44Å
32	Q	91	Very high	77.9	Confident	86 Å²	86	68.9 Å²	68.9	40%	0.402	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.2	-170.1	-68.4	-175.1	11.6	0	0	113	Q30 K35 A50 Y51 V52	Q30-Q32 PolarHBondContact O-N 3.26Å; Q32-K35 WeakPolarHBondContact O-CE 3.12Å; Q32-K35 PolarHBondContact O-NZ 3.39Å; Q32-A50 PolarHBondContact NE2-O 3.44Å; Q32-Y51 HydrophobicContact CB-CD2 4.27Å; Q32-Y51 HydrophobicContact CB-CE2 3.92Å; Q32-V52 HydrophobicContact CG-CB 4.44Å; Q32-V52 PolarHBondContact N-O 3.04Å
33	D	89.6	Confident	79	Confident	85 Å²	85	65.9 Å²	65.9	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-72.1	-179.5	-52.4	-73.1	0	0	0	111.4	C31 K35 Y51	C31-D33 PolarHBondContact O-N 3.49Å; D33-K35 VanDerWaalsContact C-N 3.3Å; D33-K35 PolarHBondContact O-N 3.3Å; D33-Y51 WeakPolarHBondContact OD2-CE2 3.45Å; D33-Y51 PolarHBondContact OD2-OH 2.64Å
34	C	88.4	Confident	79.9	Confident	52 Å²	52	64.1 Å²	64.1	35%	0.351	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	1.7	-175.8	67.4	0	0	0	0	115.4	C31 V36	C31-C34 VanDerWaalsContact SG-SG 3.64Å; C34-V36 HydrophobicContact CB-CG2 4.36Å; C34-V36 PolarHBondContact O-N 2.91Å; C34-V36 VanDerWaalsContact SG-CG2 3.58Å
35	K	87.8	Confident	80.8	Confident	121 Å²	121	60.6 Å²	60.6	53%	0.526	32%	0.316	S	S	.	.			trans	57.7	13.7	176.9	-42.9	-52.9	-176.3	-176.1	0	115.9	Q30 C31 Q32 D33	Q30-K35 HydrophobicContact CG-CB 4.49Å; C31-K35 WeakPolarHBondContact O-CA 3.34Å; C31-K35 PolarHBondContact O-N 2.88Å; Q32-K35 WeakPolarHBondContact O-CE 3.12Å; Q32-K35 PolarHBondContact O-NZ 3.39Å; D33-K35 VanDerWaalsContact C-N 3.3Å; D33-K35 PolarHBondContact O-N 3.3Å
36	V	84.6	Confident	81.7	Confident	44 Å²	44	55.8 Å²	55.8	27%	0.267	29%	0.293	S	S	.	.			trans	-64.7	144.9	177.1	173	0	0	0	0	110.6	Q30 C31 C34	Q30-V36 WeakPolarHBondContact CA-O 3.37Å; C31-V36 PolarHBondContact N-O 3.23Å; C34-V36 HydrophobicContact CB-CG2 4.36Å; C34-V36 PolarHBondContact O-N 2.91Å; C34-V36 VanDerWaalsContact SG-CG2 3.58Å
37	R	77.5	Confident	82	Confident	175 Å²	175	60.7 Å²	60.7	66%	0.66	32%	0.321	S	S	*	.			trans	-123.9	145.6	174.4	-63.6	-179.7	-172.3	-158.5	-1	109.4	Q30	Q30-R37 HydrophobicContact CB-CG 3.54Å; Q30-R37 VanDerWaalsContact OE1-CZ 3.29Å
38	G	69.8	Low	82.3	Confident	39 Å²	39	62.2 Å²	62.2	40%	0.402	34%	0.344	S	S	.	.	S	Bend	trans	154.2	-176.8	178.8	0	0	0	0	0	111
39	P	61.6	Low	83.1	Confident	88 Å²	88	55.9 Å²	55.9	57%	0.571	32%	0.316	S	S	*	.	S	Bend	trans	-59.4	155.8	161.6	29.7	-35	0	0	0	110.3	T78	P39-T78 WeakPolarHBondContact CA-OG1 3.48Å; P39-T78 HydrophobicContact CB-CG2 4.07Å
40	N	78	Confident	83.5	Confident	58 Å²	58	57.6 Å²	57.6	31%	0.31	33%	0.328	S	S	.	.			trans	73.7	34.2	-176.9	-49.5	-26	0	0	0	116.1	G55 S57 N76	N40-G55 PolarHBondContact O-N 2.95Å; N40-G55 VanDerWaalsContact O-N 3.15Å; N40-S57 PolarHBondContact ND2-OG 3.5Å; N40-N76 PolarHBondContact OD1-ND2 3Å
41	L	88.6	Confident	83.6	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.9	153.2	-65.2	-179.4	0	0	0	109.9	C31 V52 G53 C54 L77	C31-L41 HydrophobicContact CB-CD2 3.85Å; L41-V52 HydrophobicContact CB-CG1 4.07Å; L41-G53 WeakPolarHBondContact CA-O 3.48Å; L41-C54 HydrophobicContact CD2-CB 4.27Å; L41-L77 HydrophobicContact CB-CB 4.49Å; L41-L77 HydrophobicContact CB-CD1 3.97Å; L41-L77 PolarHBondContact O-N 3.49Å
42	W	90.5	Very high	83.7	Confident	42 Å²	42	56 Å²	56	16%	0.159	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.2	-176.9	-66.7	83.4	0	0	0	110.2	V52 G53 V75 N76 W83	W42-V52 CarbonylContact O-C 3.51Å; W42-V52 WeakPolarHBondContact O-CA 3.44Å; W42-G53 PolarHBondContact N-O 3.03Å; W42-G53 PolarHBondContact O-N 3.23Å; W42-V75 CarbonylContact C-O 3.55Å; W42-V75 VanDerWaalsContact CA-O 3.28Å; W42-V75 WeakPolarHBondContact CA-O 3.45Å; W42-N76 HydrophobicContact CD2-CB 3.9Å; W42-N76 HydrophobicContact CE3-CB 3.76Å; W42-N76 VanDerWaalsContact CE3-N 3.32Å; W42-N76 HydrophobicContact CH2-CB 3.85Å; W42-N76 HydrophobicContact CZ2-CB 3.98Å; W42-N76 WeakPolarHBondContact CZ2-ND2 3.38Å; W42-N76 HydrophobicContact CZ3-CB 3.73Å; W42-W83 HydrophobicContact CE3-CB 4.48Å; W42-W83 HydrophobicContact CH2-CB 4.17Å; W42-W83 HydrophobicContact CZ3-CB 3.69Å
43	A	89.9	Confident	83.7	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.4	174.7	0	0	0	0	0	111	K26 Y51 V52 T74 V75 L77	K26-A43 HydrophobicContact CD-CB 3.89Å; A43-Y51 WeakPolarHBondContact CA-O 3.36Å; A43-V52 HydrophobicContact CB-CG2 4.18Å; A43-T74 CarbonylContact O-C 3.53Å; A43-T74 WeakPolarHBondContact O-CA 3.29Å; A43-T74 WeakPolarHBondContact O-CB 3.37Å; A43-V75 HydrophobicContact CB-CG1 4.04Å; A43-V75 PolarHBondContact N-O 3.07Å; A43-V75 PolarHBondContact O-N 2.64Å; A43-L77 HydrophobicContact CB-CD1 4.02Å; A43-L77 HydrophobicContact CB-CD2 3.81Å; A43-L77 HydrophobicContact CB-CG 3.97Å
44	C	89.4	Confident	83.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.2	169.8	-169.2	0	0	0	0	111.3	C49 Y51 H71	C44-C49 HydrophobicContact CB-CB 4Å; C44-C49 VanDerWaalsContact SG-SG 3.65Å; C44-Y51 PolarHBondContact N-O 3.31Å; C44-H71 WeakPolarHBondContact SG-CB 3.49Å; C44-H71 PolarHBondContact SG-ND1 3.42Å
45	L	86	Confident	83.6	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	26%	0.263	C	S	.	.			trans	-103.3	-4.1	176.2	-64.9	-174.5	0	0	0	114.3	V15 I18 L73 V75 V82	V15-L45 HydrophobicContact CG1-CB 4.35Å; V15-L45 HydrophobicContact CG2-CB 4.28Å; V15-L45 HydrophobicContact CG2-CD1 4.44Å; I18-L45 HydrophobicContact CD1-CB 4.08Å; I18-L45 HydrophobicContact CD1-CD2 3.56Å; I18-L45 HydrophobicContact CD1-CG 4.44Å; I18-L45 WeakPolarHBondContact CD1-O 3.46Å; L45-L73 HydrophobicContact CB-CB 4.01Å; L45-L73 HydrophobicContact CD1-CB 4.33Å; L45-L73 PolarHBondContact N-O 3.41Å; L45-V75 HydrophobicContact CD1-CB 4.24Å; L45-V75 HydrophobicContact CD2-CB 3.93Å; L45-V75 HydrophobicContact CD2-CG1 3.58Å; L45-V75 HydrophobicContact CG-CB 4.19Å; L45-V75 HydrophobicContact CG-CG1 4.26Å; L45-V82 HydrophobicContact CD1-CB 4.34Å; L45-V82 HydrophobicContact CD1-CG1 3.48Å; L45-V82 VanDerWaalsContact CD1-CG1 3.48Å; L45-V82 HydrophobicContact CD1-CG2 3.86Å
46	E	85.1	Confident	83.4	Confident	49 Å²	49	48.3 Å²	48.3	23%	0.229	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-62.3	136.3	177.1	-160.7	74.1	-138.3	0	0	110.3	G48 C49 H71	E46-G48 PolarHBondContact O-N 3.12Å; E46-C49 HydrophobicContact CB-CB 4.05Å; E46-C49 VanDerWaalsContact O-CB 3.27Å; E46-C49 WeakPolarHBondContact O-CB 3.37Å; E46-C49 PolarHBondContact O-N 3.33Å; E46-H71 HydrophobicContact CB-CB 3.89Å; E46-H71 WeakPolarHBondContact CB-ND1 3.28Å; E46-H71 HydrophobicContact CG-CB 4.24Å; E46-H71 WeakPolarHBondContact OE2-CA 3.46Å
47	N	77.7	Confident	83.1	Confident	127 Å²	127	49.1 Å²	49.1	68%	0.679	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	126.8	-175.2	-167	-2.3	0	0	0	111.8	C49	N47-C49 VanDerWaalsContact C-N 3.34Å
48	G	72.6	Confident	83.3	Confident	79 Å²	79	45.7 Å²	45.7	81%	0.814	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	0.6	-175	0	0	0	0	0	115.8	E46	E46-G48 PolarHBondContact O-N 3.12Å
49	C	84.9	Confident	84.1	Confident	18 Å²	18	46.5 Å²	46.5	12%	0.122	28%	0.28	C	S	.	.			trans	-92.2	109.6	-179.4	-163	0	0	0	0	113.4	K26 C44 E46 N47 Y51 H71	K26-C49 PolarHBondContact NZ-O 3.4Å; C44-C49 HydrophobicContact CB-CB 4Å; C44-C49 VanDerWaalsContact SG-SG 3.65Å; E46-C49 HydrophobicContact CB-CB 4.05Å; E46-C49 VanDerWaalsContact O-CB 3.27Å; E46-C49 WeakPolarHBondContact O-CB 3.37Å; E46-C49 PolarHBondContact O-N 3.33Å; N47-C49 VanDerWaalsContact C-N 3.34Å; C49-Y51 VanDerWaalsContact C-N 3.31Å; C49-Y51 PolarHBondContact O-N 3.29Å; C49-H71 VanDerWaalsContact SG-CE1 3.55Å; C49-H71 PolarHBondContact SG-ND1 3.38Å
50	A	84.5	Confident	85.4	Confident	67 Å²	67	44.6 Å²	44.6	55%	0.554	27%	0.265	S	S	*	.			trans	-86	9.5	175.7	0	0	0	0	0	114.4	Q32	Q32-A50 PolarHBondContact NE2-O 3.44Å
51	Y	88.9	Confident	86.1	Confident	28 Å²	28	43.8 Å²	43.8	11%	0.11	26%	0.259	C	S	.	.			trans	-71.7	143.8	-172.6	-178.2	-95.8	0	0	0	113.4	Q32 D33 A43 C44 C49 G53 H61 H65	Q32-Y51 HydrophobicContact CB-CD2 4.27Å; Q32-Y51 HydrophobicContact CB-CE2 3.92Å; D33-Y51 WeakPolarHBondContact OD2-CE2 3.45Å; D33-Y51 PolarHBondContact OD2-OH 2.64Å; A43-Y51 WeakPolarHBondContact CA-O 3.36Å; C44-Y51 PolarHBondContact N-O 3.31Å; C49-Y51 VanDerWaalsContact C-N 3.31Å; C49-Y51 PolarHBondContact O-N 3.29Å; Y51-G53 WeakPolarHBondContact OH-CA 3.4Å; Y51-H61 VanDerWaalsContact OH-CB 3.26Å; Y51-H61 WeakPolarHBondContact OH-CB 3.14Å; Y51-H61 PolarHBondContact OH-O 3.31Å; Y51-H65 HydrophobicContact CD1-CB 3.73Å; Y51-H65 AromaticContact CD1-CD2 3.72Å; Y51-H65 AromaticContact CD1-CE1 3.94Å; Y51-H65 AromaticContact CD1-CG 3.31Å; Y51-H65 AromaticContact CD1-ND1 3.48Å; Y51-H65 WeakPolarHBondContact CD1-ND1 3.49Å; Y51-H65 AromaticContact CD2-ND1 3.92Å; Y51-H65 HydrophobicContact CE1-CB 3.39Å; Y51-H65 AromaticContact CE1-CG 3.57Å; Y51-H65 AromaticContact CE1-ND1 3.99Å; Y51-H65 HydrophobicContact CG-CB 4.47Å; Y51-H65 AromaticContact CG-CE1 3.79Å; Y51-H65 AromaticContact CG-CG 3.82Å; Y51-H65 AromaticContact CG-ND1 3.45Å
52	V	91.3	Very high	86.2	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	111.7	175.4	-177.9	0	0	0	0	110.4	K26 C31 Q32 L41 W42 A43 L77	K26-V52 HydrophobicContact CB-CG2 4.18Å; K26-V52 HydrophobicContact CD-CG2 4.28Å; K26-V52 HydrophobicContact CG-CG2 4.17Å; C31-V52 WeakPolarHBondContact CA-O 3.26Å; Q32-V52 HydrophobicContact CG-CB 4.44Å; Q32-V52 PolarHBondContact N-O 3.04Å; L41-V52 HydrophobicContact CB-CG1 4.07Å; W42-V52 CarbonylContact O-C 3.51Å; W42-V52 WeakPolarHBondContact O-CA 3.44Å; A43-V52 HydrophobicContact CB-CG2 4.18Å; V52-L77 HydrophobicContact CG1-CD1 3.66Å; V52-L77 HydrophobicContact CG2-CD1 4.32Å
53	G	91.1	Very high	86.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	172.4	175.9	0	0	0	0	0	112.9	L41 W42 Y51	L41-G53 WeakPolarHBondContact CA-O 3.48Å; W42-G53 PolarHBondContact N-O 3.03Å; W42-G53 PolarHBondContact O-N 3.23Å; Y51-G53 WeakPolarHBondContact OH-CA 3.4Å
54	C	90.9	Very high	86.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.3	158.8	60.1	0	0	0	0	109.1	C31 L41 H58 D60 H61 S62	C31-C54 HydrophobicContact CB-CB 3.9Å; C31-C54 PolarHBondContact SG-N 2.87Å; C31-C54 VanDerWaalsContact SG-N 3.44Å; L41-C54 HydrophobicContact CD2-CB 4.27Å; C54-H58 HydrophobicContact CB-CB 4.22Å; C54-D60 CarbonylContact O-C 3.6Å; C54-D60 VanDerWaalsContact O-C 3.26Å; C54-D60 WeakPolarHBondContact O-CA 3.36Å; C54-H61 PolarHBondContact O-N 3.46Å; C54-H61 PolarHBondContact SG-ND1 2.93Å; C54-S62 PolarHBondContact O-N 3.41Å; C54-S62 PolarHBondContact O-OG 3.15Å; C54-S62 VanDerWaalsContact O-OG 3.07Å
55	G	85.3	Confident	86.3	Confident	2 Å²	2	46.5 Å²	46.5	2%	0.021	28%	0.279	C	S	.	.			trans	-84.2	-168.3	178.8	0	0	0	0	0	114.9	N40 S57 H58 D60	N40-G55 PolarHBondContact O-N 2.95Å; N40-G55 VanDerWaalsContact O-N 3.15Å; G55-S57 PolarHBondContact O-N 2.88Å; G55-H58 PolarHBondContact O-N 3.45Å; G55-D60 WeakPolarHBondContact CA-OD1 3.4Å; G55-D60 PolarHBondContact O-N 3.39Å; G55-D60 VanDerWaalsContact O-N 3.15Å
56	E	82.7	Confident	86.6	Confident	179 Å²	179	46.4 Å²	46.4	84%	0.836	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-26.9	178.9	58.9	169.2	-164.2	0	0	115.6	H58 D60	E56-H58 PolarHBondContact O-N 2.9Å; E56-D60 PolarHBondContact N-OD1 2.93Å
57	S	78.6	Confident	86.8	Confident	61 Å²	61	51.2 Å²	51.2	43%	0.427	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-2.5	177.2	64.6	0	0	0	0	114.1	N40 G55	N40-S57 PolarHBondContact ND2-OG 3.5Å; G55-S57 PolarHBondContact O-N 2.88Å
58	H	82.1	Confident	87.4	Confident	104 Å²	104	52.8 Å²	52.8	48%	0.481	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-87.9	175.5	-65.8	-57.4	0	0	0	112.8	C54 G55 E56	C54-H58 HydrophobicContact CB-CB 4.22Å; G55-H58 PolarHBondContact O-N 3.45Å; E56-H58 PolarHBondContact O-N 2.9Å
59	A	86.6	Confident	88.1	Confident	56 Å²	56	51.7 Å²	51.7	46%	0.463	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	9.4	-174.6	0	0	0	0	0	112.4	H61	A59-H61 VanDerWaalsContact C-N 3.27Å; A59-H61 VanDerWaalsContact CB-CE1 3.42Å; A59-H61 WeakPolarHBondContact CB-CE1 3.42Å; A59-H61 PolarHBondContact O-N 3.35Å; A59-H61 VanDerWaalsContact O-N 3.12Å
60	D	88.7	Confident	88.3	Confident	47 Å²	47	60.3 Å²	60.3	25%	0.251	31%	0.312	S	S	.	.			trans	49	36.8	173.1	-151	21.1	0	0	0	116.8	C54 G55 E56 S62 T63 V64	C54-D60 CarbonylContact O-C 3.6Å; C54-D60 VanDerWaalsContact O-C 3.26Å; C54-D60 WeakPolarHBondContact O-CA 3.36Å; G55-D60 WeakPolarHBondContact CA-OD1 3.4Å; G55-D60 PolarHBondContact O-N 3.39Å; G55-D60 VanDerWaalsContact O-N 3.15Å; E56-D60 PolarHBondContact N-OD1 2.93Å; D60-S62 PolarHBondContact O-N 3.27Å; D60-S62 VanDerWaalsContact O-N 3.08Å; D60-S62 PolarHBondContact OD1-OG 2.69Å; D60-T63 VanDerWaalsContact CG-CB 3.49Å; D60-T63 WeakPolarHBondContact O-CB 3.48Å; D60-T63 PolarHBondContact O-N 3.33Å; D60-T63 PolarHBondContact OD1-OG1 2.98Å; D60-T63 WeakPolarHBondContact OD2-CB 3.33Å; D60-T63 PolarHBondContact OD2-OG1 3.44Å; D60-V64 PolarHBondContact O-N 3.46Å; D60-V64 VanDerWaalsContact O-N 3.12Å
61	H	92.7	Very high	88.6	Confident	41 Å²	41	59.3 Å²	59.3	19%	0.19	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-21.8	178.5	-60.3	107.6	0	0	0	113.2	Y51 C54 A59 V64 H65	Y51-H61 VanDerWaalsContact OH-CB 3.26Å; Y51-H61 WeakPolarHBondContact OH-CB 3.14Å; Y51-H61 PolarHBondContact OH-O 3.31Å; C54-H61 PolarHBondContact O-N 3.46Å; C54-H61 PolarHBondContact SG-ND1 2.93Å; A59-H61 VanDerWaalsContact C-N 3.27Å; A59-H61 VanDerWaalsContact CB-CE1 3.42Å; A59-H61 WeakPolarHBondContact CB-CE1 3.42Å; A59-H61 PolarHBondContact O-N 3.35Å; A59-H61 VanDerWaalsContact O-N 3.12Å; H61-V64 PolarHBondContact O-N 2.87Å; H61-H65 VanDerWaalsContact O-CB 3.26Å; H61-H65 WeakPolarHBondContact O-CB 3.31Å; H61-H65 PolarHBondContact O-N 3.42Å
62	S	90.3	Very high	88.6	Confident	1 Å²	1	60 Å²	60	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-38.8	169.7	36.5	0	0	0	0	113.3	C54 D60 S66 Y85	C54-S62 PolarHBondContact O-N 3.41Å; C54-S62 PolarHBondContact O-OG 3.15Å; C54-S62 VanDerWaalsContact O-OG 3.07Å; D60-S62 PolarHBondContact O-N 3.27Å; D60-S62 VanDerWaalsContact O-N 3.08Å; D60-S62 PolarHBondContact OD1-OG 2.69Å; S62-S66 PolarHBondContact O-N 3.45Å; S62-S66 VanDerWaalsContact O-N 3.13Å; S62-Y85 WeakPolarHBondContact CB-OH 3.38Å
63	T	89.3	Confident	88.5	Confident	26 Å²	26	59.9 Å²	59.9	16%	0.16	30%	0.301	C	S	.	.	H	α-helix	trans	-73.8	-40	174.7	-59.6	0	0	0	0	111.1	D60 S66 Q67 Y85	D60-T63 VanDerWaalsContact CG-CB 3.49Å; D60-T63 WeakPolarHBondContact O-CB 3.48Å; D60-T63 PolarHBondContact O-N 3.33Å; D60-T63 PolarHBondContact OD1-OG1 2.98Å; D60-T63 WeakPolarHBondContact OD2-CB 3.33Å; D60-T63 PolarHBondContact OD2-OG1 3.44Å; T63-S66 PolarHBondContact O-N 3.45Å; T63-Q67 WeakPolarHBondContact O-CG 3.44Å; T63-Q67 PolarHBondContact O-N 3.24Å; T63-Y85 HydrophobicContact CG2-CD1 4.35Å; T63-Y85 HydrophobicContact CG2-CE1 4.08Å; T63-Y85 PolarHBondContact N-OH 3Å; T63-Y85 WeakPolarHBondContact OG1-CE1 3.48Å; T63-Y85 PolarHBondContact OG1-OH 2.91Å
64	V	90.8	Very high	88.5	Confident	58 Å²	58	59.9 Å²	59.9	35%	0.352	30%	0.301	S	S	.	.	H	α-helix	trans	-59.4	-51	174.8	-179.1	0	0	0	0	110.7	D60 H61 S66 Q67 E68	D60-V64 PolarHBondContact O-N 3.46Å; D60-V64 VanDerWaalsContact O-N 3.12Å; H61-V64 PolarHBondContact O-N 2.87Å; V64-S66 VanDerWaalsContact C-N 3.3Å; V64-S66 PolarHBondContact O-N 3.37Å; V64-Q67 PolarHBondContact O-N 2.87Å; V64-Q67 VanDerWaalsContact O-N 3.1Å; V64-E68 HydrophobicContact CG1-CG 4.35Å; V64-E68 WeakPolarHBondContact O-CG 3.42Å; V64-E68 PolarHBondContact O-N 3.35Å
65	H	92.5	Very high	88.4	Confident	21 Å²	21	60.1 Å²	60.1	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-54.4	-45.1	174.8	169.5	83.9	0	0	0	111.8	Y51 H61 Q67 E68 T69 H71	Y51-H65 HydrophobicContact CD1-CB 3.73Å; Y51-H65 AromaticContact CD1-CD2 3.72Å; Y51-H65 AromaticContact CD1-CE1 3.94Å; Y51-H65 AromaticContact CD1-CG 3.31Å; Y51-H65 AromaticContact CD1-ND1 3.48Å; Y51-H65 WeakPolarHBondContact CD1-ND1 3.49Å; Y51-H65 AromaticContact CD2-ND1 3.92Å; Y51-H65 HydrophobicContact CE1-CB 3.39Å; Y51-H65 AromaticContact CE1-CG 3.57Å; Y51-H65 AromaticContact CE1-ND1 3.99Å; Y51-H65 HydrophobicContact CG-CB 4.47Å; Y51-H65 AromaticContact CG-CE1 3.79Å; Y51-H65 AromaticContact CG-CG 3.82Å; Y51-H65 AromaticContact CG-ND1 3.45Å; H61-H65 VanDerWaalsContact O-CB 3.26Å; H61-H65 WeakPolarHBondContact O-CB 3.31Å; H61-H65 PolarHBondContact O-N 3.42Å; H65-Q67 PolarHBondContact O-N 2.9Å; H65-E68 PolarHBondContact O-N 3.3Å; H65-T69 PolarHBondContact NE2-OG1 3.45Å; H65-T69 WeakPolarHBondContact O-CB 3.47Å; H65-T69 WeakPolarHBondContact O-CG2 3.37Å; H65-T69 PolarHBondContact O-N 2.84Å; H65-T69 PolarHBondContact O-OG1 3.37Å; H65-H71 AromaticContact CE1-ND1 3.9Å; H65-H71 AromaticContact NE2-CG 3.74Å; H65-H71 AromaticContact NE2-ND1 3.44Å; H65-H71 PolarHBondContact NE2-ND1 2.93Å
66	S	91.3	Very high	88.4	Confident	5 Å²	5	60.3 Å²	60.3	4%	0.035	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-40.2	177.9	-169.3	0	0	0	0	112.4	S62 T63 V64 R70 H71 Y85	S62-S66 PolarHBondContact O-N 3.45Å; S62-S66 VanDerWaalsContact O-N 3.13Å; T63-S66 PolarHBondContact O-N 3.45Å; V64-S66 VanDerWaalsContact C-N 3.3Å; V64-S66 PolarHBondContact O-N 3.37Å; S66-R70 WeakPolarHBondContact O-CA 3.4Å; S66-R70 PolarHBondContact O-N 3.04Å; S66-H71 WeakPolarHBondContact CB-O 3.27Å; S66-H71 PolarHBondContact OG-O 2.88Å; S66-Y85 WeakPolarHBondContact OG-CB 3.17Å; S66-Y85 WeakPolarHBondContact OG-CD2 3.44Å
67	Q	89.6	Confident	88.4	Confident	150 Å²	150	52.5 Å²	52.5	70%	0.701	27%	0.267	S	S	*	.	H	α-helix	trans	-68.5	-39	177.2	-70.7	176.6	15.4	0	0	112.9	T63 V64 H65	T63-Q67 WeakPolarHBondContact O-CG 3.44Å; T63-Q67 PolarHBondContact O-N 3.24Å; V64-Q67 PolarHBondContact O-N 2.87Å; V64-Q67 VanDerWaalsContact O-N 3.1Å; H65-Q67 PolarHBondContact O-N 2.9Å
68	E	91.2	Very high	88.2	Confident	159 Å²	159	53.5 Å²	53.5	74%	0.743	27%	0.27	S	S	*	.	H	α-helix	trans	-75.2	-42.2	-179.9	-70.1	-175.1	172.2	0	0	112.8	V64 H65	V64-E68 HydrophobicContact CG1-CG 4.35Å; V64-E68 WeakPolarHBondContact O-CG 3.42Å; V64-E68 PolarHBondContact O-N 3.35Å; H65-E68 PolarHBondContact O-N 3.3Å
69	T	88.1	Confident	87.8	Confident	56 Å²	56	52 Å²	52	34%	0.344	27%	0.268	S	S	.	.	H	α-helix	trans	-96	-16.9	-174.3	65	0	0	0	0	114.3	H65 H71	H65-T69 PolarHBondContact NE2-OG1 3.45Å; H65-T69 WeakPolarHBondContact O-CB 3.47Å; H65-T69 WeakPolarHBondContact O-CG2 3.37Å; H65-T69 PolarHBondContact O-N 2.84Å; H65-T69 PolarHBondContact O-OG1 3.37Å; T69-H71 VanDerWaalsContact CB-CD2 3.46Å; T69-H71 WeakPolarHBondContact CB-CD2 3.45Å; T69-H71 PolarHBondContact O-CD2 3.16Å; T69-H71 PolarHBondContact O-N 2.88Å; T69-H71 WeakPolarHBondContact OG1-CB 3.38Å; T69-H71 PolarHBondContact OG1-CD2 3.18Å; T69-H71 VanDerWaalsContact OG1-CD2 3.29Å; T69-H71 PolarHBondContact OG1-N 3.46Å
70	R	87.6	Confident	87.3	Confident	200 Å²	200	54.9 Å²	54.9	76%	0.755	28%	0.276	S	S	*	.			trans	62.1	17.6	-167	-53.8	-177.8	176	-171.9	-2.2	114.8	S66 N72	S66-R70 WeakPolarHBondContact O-CA 3.4Å; S66-R70 PolarHBondContact O-N 3.04Å; R70-N72 PolarHBondContact O-N 2.85Å; R70-N72 VanDerWaalsContact O-N 3.12Å; R70-N72 PolarHBondContact O-ND2 2.82Å; R70-N72 PolarHBondContact O-OD1 2.99Å
71	H	91.6	Very high	86.9	Confident	46 Å²	46	56.5 Å²	56.5	21%	0.213	28%	0.278	C	S	.	.			trans	-72.3	105.1	172.5	-66.3	-162.9	0	0	0	108.4	C44 E46 C49 H65 S66 T69 L73	C44-H71 WeakPolarHBondContact SG-CB 3.49Å; C44-H71 PolarHBondContact SG-ND1 3.42Å; E46-H71 HydrophobicContact CB-CB 3.89Å; E46-H71 WeakPolarHBondContact CB-ND1 3.28Å; E46-H71 HydrophobicContact CG-CB 4.24Å; E46-H71 WeakPolarHBondContact OE2-CA 3.46Å; C49-H71 VanDerWaalsContact SG-CE1 3.55Å; C49-H71 PolarHBondContact SG-ND1 3.38Å; H65-H71 AromaticContact CE1-ND1 3.9Å; H65-H71 AromaticContact NE2-CG 3.74Å; H65-H71 AromaticContact NE2-ND1 3.44Å; H65-H71 PolarHBondContact NE2-ND1 2.93Å; S66-H71 WeakPolarHBondContact CB-O 3.27Å; S66-H71 PolarHBondContact OG-O 2.88Å; T69-H71 VanDerWaalsContact CB-CD2 3.46Å; T69-H71 WeakPolarHBondContact CB-CD2 3.45Å; T69-H71 PolarHBondContact O-CD2 3.16Å; T69-H71 PolarHBondContact O-N 2.88Å; T69-H71 WeakPolarHBondContact OG1-CB 3.38Å; T69-H71 PolarHBondContact OG1-CD2 3.18Å; T69-H71 VanDerWaalsContact OG1-CD2 3.29Å; T69-H71 PolarHBondContact OG1-N 3.46Å; H71-L73 PolarHBondContact O-N 3.5Å
72	N	89.5	Confident	86.6	Confident	43 Å²	43	54.8 Å²	54.8	23%	0.23	27%	0.27	C	S	.	.			trans	-85.6	-9.5	-161.4	-66.9	-55.2	0	0	0	114.5	R70 C84 Y85 A86	R70-N72 PolarHBondContact O-N 2.85Å; R70-N72 VanDerWaalsContact O-N 3.12Å; R70-N72 PolarHBondContact O-ND2 2.82Å; R70-N72 PolarHBondContact O-OD1 2.99Å; N72-C84 CarbonylContact O-C 3.26Å; N72-C84 VanDerWaalsContact O-CA 3.31Å; N72-C84 WeakPolarHBondContact O-CA 3.44Å; N72-Y85 PolarHBondContact O-N 3Å; N72-A86 HydrophobicContact CB-CB 3.95Å; N72-A86 WeakPolarHBondContact OD1-CB 3.47Å
73	L	89.1	Confident	86.5	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.1	-175.4	-67.6	175.7	0	0	0	112.7	H11 L12 V15 L45 H71 V82 W83 C84 V91	H11-L73 HydrophobicContact CB-CD1 4.21Å; H11-L73 HydrophobicContact CB-CG 4.25Å; H11-L73 WeakPolarHBondContact O-CD1 3.49Å; L12-L73 HydrophobicContact CD2-CD1 4.18Å; V15-L73 HydrophobicContact CG2-CD1 3.36Å; L45-L73 HydrophobicContact CB-CB 4.01Å; L45-L73 HydrophobicContact CD1-CB 4.33Å; L45-L73 PolarHBondContact N-O 3.41Å; H71-L73 PolarHBondContact O-N 3.5Å; L73-V82 HydrophobicContact CD2-CG1 4.05Å; L73-W83 WeakPolarHBondContact CA-O 3.43Å; L73-C84 HydrophobicContact CD2-CB 3.55Å; L73-V91 HydrophobicContact CD2-CG2 3.8Å
74	T	90.3	Very high	86.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.6	170.9	53.4	0	0	0	0	111.3	A43 V82 W83 Y85	A43-T74 CarbonylContact O-C 3.53Å; A43-T74 WeakPolarHBondContact O-CA 3.29Å; A43-T74 WeakPolarHBondContact O-CB 3.37Å; T74-V82 CarbonylContact O-C 3.57Å; T74-V82 VanDerWaalsContact O-CA 3.29Å; T74-V82 WeakPolarHBondContact O-CA 3.13Å; T74-V82 WeakPolarHBondContact O-CG1 3.05Å; T74-W83 PolarHBondContact N-O 2.79Å; T74-W83 VanDerWaalsContact N-O 3.16Å; T74-W83 PolarHBondContact O-N 3.36Å; T74-Y85 HydrophobicContact CG2-CE2 3.8Å; T74-Y85 WeakPolarHBondContact OG1-CE2 3.34Å
75	V	87.9	Confident	86.3	Confident	5 Å²	5	57 Å²	57	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.8	171.8	66.2	0	0	0	0	110.8	L23 W42 A43 L45 L77 R81 V82	L23-V75 HydrophobicContact CD2-CG1 3.77Å; W42-V75 CarbonylContact C-O 3.55Å; W42-V75 VanDerWaalsContact CA-O 3.28Å; W42-V75 WeakPolarHBondContact CA-O 3.45Å; A43-V75 HydrophobicContact CB-CG1 4.04Å; A43-V75 PolarHBondContact N-O 3.07Å; A43-V75 PolarHBondContact O-N 2.64Å; L45-V75 HydrophobicContact CD1-CB 4.24Å; L45-V75 HydrophobicContact CD2-CB 3.93Å; L45-V75 HydrophobicContact CD2-CG1 3.58Å; L45-V75 HydrophobicContact CG-CB 4.19Å; L45-V75 HydrophobicContact CG-CG1 4.26Å; V75-L77 PolarHBondContact O-N 3.15Å; V75-R81 CarbonylContact C-O 3.58Å; V75-R81 WeakPolarHBondContact CA-O 3.29Å; V75-V82 HydrophobicContact CB-CG2 4.15Å; V75-V82 HydrophobicContact CG2-CG2 4.04Å
76	N	86.4	Confident	85.9	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.027	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.9	170.7	-174.9	-56.5	0	0	0	109.2	N40 W42 T78 T79 L80 R81	N40-N76 PolarHBondContact OD1-ND2 3Å; W42-N76 HydrophobicContact CD2-CB 3.9Å; W42-N76 HydrophobicContact CE3-CB 3.76Å; W42-N76 VanDerWaalsContact CE3-N 3.32Å; W42-N76 HydrophobicContact CH2-CB 3.85Å; W42-N76 HydrophobicContact CZ2-CB 3.98Å; W42-N76 WeakPolarHBondContact CZ2-ND2 3.38Å; W42-N76 HydrophobicContact CZ3-CB 3.73Å; N76-T78 PolarHBondContact O-N 3.12Å; N76-T78 VanDerWaalsContact O-N 3.12Å; N76-T78 WeakPolarHBondContact OD1-CA 3.42Å; N76-T78 WeakPolarHBondContact OD1-CB 3.16Å; N76-T78 PolarHBondContact OD1-N 3.45Å; N76-T79 VanDerWaalsContact CB-OG1 3.29Å; N76-T79 WeakPolarHBondContact CB-OG1 3.49Å; N76-T79 PolarHBondContact O-N 3.03Å; N76-T79 PolarHBondContact OD1-N 3.11Å; N76-T79 PolarHBondContact OD1-OG1 2.74Å; N76-L80 VanDerWaalsContact O-CA 3.24Å; N76-L80 WeakPolarHBondContact O-CA 3.26Å; N76-L80 PolarHBondContact O-N 2.84Å; N76-R81 PolarHBondContact N-O 3.36Å
77	L	82.5	Confident	85.6	Confident	16 Å²	16	60.7 Å²	60.7	8%	0.084	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-4	-174.5	-69.5	165.7	0	0	0	114.1	L23 K26 L41 A43 V52 V75	L23-L77 HydrophobicContact CD2-CD2 4.2Å; K26-L77 HydrophobicContact CB-CD1 4.1Å; K26-L77 HydrophobicContact CB-CD2 3.86Å; L41-L77 HydrophobicContact CB-CB 4.49Å; L41-L77 HydrophobicContact CB-CD1 3.97Å; L41-L77 PolarHBondContact O-N 3.49Å; A43-L77 HydrophobicContact CB-CD1 4.02Å; A43-L77 HydrophobicContact CB-CD2 3.81Å; A43-L77 HydrophobicContact CB-CG 3.97Å; V52-L77 HydrophobicContact CG1-CD1 3.66Å; V52-L77 HydrophobicContact CG2-CD1 4.32Å; V75-L77 PolarHBondContact O-N 3.15Å
78	T	74.5	Confident	85.2	Confident	82 Å²	82	56 Å²	56	50%	0.503	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-41.9	175.8	-46.7	0	0	0	0	112.2	P39 N76	P39-T78 WeakPolarHBondContact CA-OG1 3.48Å; P39-T78 HydrophobicContact CB-CG2 4.07Å; N76-T78 PolarHBondContact O-N 3.12Å; N76-T78 VanDerWaalsContact O-N 3.12Å; N76-T78 WeakPolarHBondContact OD1-CA 3.42Å; N76-T78 WeakPolarHBondContact OD1-CB 3.16Å; N76-T78 PolarHBondContact OD1-N 3.45Å
79	T	73.2	Confident	84.7	Confident	71 Å²	71	52.5 Å²	52.5	44%	0.436	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-6.8	-175	62.7	0	0	0	0	114.1	N76 R81	N76-T79 VanDerWaalsContact CB-OG1 3.29Å; N76-T79 WeakPolarHBondContact CB-OG1 3.49Å; N76-T79 PolarHBondContact O-N 3.03Å; N76-T79 PolarHBondContact OD1-N 3.11Å; N76-T79 PolarHBondContact OD1-OG1 2.74Å; T79-R81 PolarHBondContact O-N 3.48Å; T79-R81 WeakPolarHBondContact OG1-CG 3.34Å
80	L	77.4	Confident	84.3	Confident	118 Å²	118	52 Å²	52	62%	0.618	27%	0.269	S	S	*	.			trans	56.6	11.6	-175.3	-56.5	-179.6	0	0	0	115.4	N76	N76-L80 VanDerWaalsContact O-CA 3.24Å; N76-L80 WeakPolarHBondContact O-CA 3.26Å; N76-L80 PolarHBondContact O-N 2.84Å
81	R	79.1	Confident	83.9	Confident	81 Å²	81	42.8 Å²	42.8	31%	0.306	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-68.3	136.5	172.8	-65	-179	170.9	-135	3.9	110.5	V75 N76 T79 E90	V75-R81 CarbonylContact C-O 3.58Å; V75-R81 WeakPolarHBondContact CA-O 3.29Å; N76-R81 PolarHBondContact N-O 3.36Å; T79-R81 PolarHBondContact O-N 3.48Å; T79-R81 WeakPolarHBondContact OG1-CG 3.34Å; R81-E90 HydrophobicContact CB-CG 4.39Å; R81-E90 WeakPolarHBondContact CB-OE1 3.4Å; R81-E90 VanDerWaalsContact CD-OE1 3.26Å; R81-E90 WeakPolarHBondContact CD-OE1 3.48Å; R81-E90 WeakPolarHBondContact CG-OE1 3.32Å; R81-E90 IonicContact CZ-OE1 3.81Å; R81-E90 IonicContact CZ-OE2 3.7Å; R81-E90 IonicContact NE-OE1 3.67Å; R81-E90 IonicContact NE-OE2 3.98Å; R81-E90 IonicContact NH1-OE1 3.51Å; R81-E90 IonicContact NH1-OE2 2.74Å; R81-E90 PolarHBondContact NH1-OE2 3.05Å
82	V	86.9	Confident	83.1	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.024	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.9	176.3	-175.7	0	0	0	0	109.6	L45 L73 T74 V75 E90 V91 L93	L45-V82 HydrophobicContact CD1-CB 4.34Å; L45-V82 HydrophobicContact CD1-CG1 3.48Å; L45-V82 VanDerWaalsContact CD1-CG1 3.48Å; L45-V82 HydrophobicContact CD1-CG2 3.86Å; L73-V82 HydrophobicContact CD2-CG1 4.05Å; T74-V82 CarbonylContact O-C 3.57Å; T74-V82 VanDerWaalsContact O-CA 3.29Å; T74-V82 WeakPolarHBondContact O-CA 3.13Å; T74-V82 WeakPolarHBondContact O-CG1 3.05Å; V75-V82 HydrophobicContact CB-CG2 4.15Å; V75-V82 HydrophobicContact CG2-CG2 4.04Å; V82-E90 CarbonylContact O-C 3.56Å; V82-E90 WeakPolarHBondContact O-CA 3.4Å; V82-E90 WeakPolarHBondContact O-CG 3.38Å; V82-V91 HydrophobicContact CB-CG2 3.89Å; V82-V91 HydrophobicContact CG1-CG2 3.58Å; V82-V91 PolarHBondContact O-N 2.85Å; V82-L93 HydrophobicContact CG2-CD1 3.78Å; V82-L93 HydrophobicContact CG2-CG 4.08Å
83	W	87.5	Confident	81.9	Confident	81 Å²	81	49.4 Å²	49.4	31%	0.307	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.4	175.2	-173.4	-99.7	0	0	0	110.7	W42 L73 T74 Y85 G88 E90	W42-W83 HydrophobicContact CE3-CB 4.48Å; W42-W83 HydrophobicContact CH2-CB 4.17Å; W42-W83 HydrophobicContact CZ3-CB 3.69Å; L73-W83 WeakPolarHBondContact CA-O 3.43Å; T74-W83 PolarHBondContact N-O 2.79Å; T74-W83 VanDerWaalsContact N-O 3.16Å; T74-W83 PolarHBondContact O-N 3.36Å; W83-Y85 AromaticContact CD1-CD1 3.53Å; W83-Y85 AromaticContact CD1-CE1 3.48Å; W83-Y85 VanDerWaalsContact CD1-CE1 3.48Å; W83-Y85 AromaticContact CD1-CG 3.8Å; W83-Y85 AromaticContact CD1-CZ 3.77Å; W83-Y85 AromaticContact NE1-CD1 3.52Å; W83-Y85 AromaticContact NE1-CE1 3.71Å; W83-G88 WeakPolarHBondContact CH2-O 3.27Å; W83-G88 VanDerWaalsContact CZ2-C 3.46Å; W83-G88 WeakPolarHBondContact CZ2-O 3.47Å; W83-E90 HydrophobicContact CE3-CB 4.05Å; W83-E90 VanDerWaalsContact CE3-N 3.35Å; W83-E90 HydrophobicContact CZ3-CB 4.2Å; W83-E90 VanDerWaalsContact CZ3-N 3.27Å
84	C	89.6	Confident	80.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.4	172	-171.9	0	0	0	0	111.5	C9 H11 N72 L73 A86 C87 G88 K89 V91	C9-C84 PolarHBondContact SG-SG 2.75Å; H11-C84 PolarHBondContact ND1-SG 2.83Å; H11-C84 VanDerWaalsContact ND1-SG 3.38Å; N72-C84 CarbonylContact O-C 3.26Å; N72-C84 VanDerWaalsContact O-CA 3.31Å; N72-C84 WeakPolarHBondContact O-CA 3.44Å; L73-C84 HydrophobicContact CD2-CB 3.55Å; C84-A86 PolarHBondContact O-N 3.24Å; C84-C87 HydrophobicContact CB-CB 4.11Å; C84-C87 PolarHBondContact O-N 3.18Å; C84-G88 PolarHBondContact O-N 2.98Å; C84-K89 PolarHBondContact N-O 3.01Å; C84-K89 PolarHBondContact O-N 3.42Å; C84-V91 HydrophobicContact CB-CG1 3.73Å; C84-V91 HydrophobicContact CB-CG2 4.27Å
85	Y	85.9	Confident	77.7	Confident	50 Å²	50	66.6 Å²	66.6	20%	0.196	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-38.7	-179.6	-68.3	-73.6	0	0	0	112.9	S62 T63 S66 N72 T74 W83 C87 G88	S62-Y85 WeakPolarHBondContact CB-OH 3.38Å; T63-Y85 HydrophobicContact CG2-CD1 4.35Å; T63-Y85 HydrophobicContact CG2-CE1 4.08Å; T63-Y85 PolarHBondContact N-OH 3Å; T63-Y85 WeakPolarHBondContact OG1-CE1 3.48Å; T63-Y85 PolarHBondContact OG1-OH 2.91Å; S66-Y85 WeakPolarHBondContact OG-CB 3.17Å; S66-Y85 WeakPolarHBondContact OG-CD2 3.44Å; N72-Y85 PolarHBondContact O-N 3Å; T74-Y85 HydrophobicContact CG2-CE2 3.8Å; T74-Y85 WeakPolarHBondContact OG1-CE2 3.34Å; W83-Y85 AromaticContact CD1-CD1 3.53Å; W83-Y85 AromaticContact CD1-CE1 3.48Å; W83-Y85 VanDerWaalsContact CD1-CE1 3.48Å; W83-Y85 AromaticContact CD1-CG 3.8Å; W83-Y85 AromaticContact CD1-CZ 3.77Å; W83-Y85 AromaticContact NE1-CD1 3.52Å; W83-Y85 AromaticContact NE1-CE1 3.71Å; Y85-C87 VanDerWaalsContact C-N 3.33Å; Y85-C87 PolarHBondContact O-N 3.4Å; Y85-G88 PolarHBondContact O-N 3.4Å
86	A	85.4	Confident	75	Confident	55 Å²	55	74.8 Å²	74.8	46%	0.455	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.5	177	0	0	0	0	0	113.9	H11 N72 C84	H11-A86 VanDerWaalsContact CE1-CB 3.42Å; H11-A86 WeakPolarHBondContact CE1-CB 3.24Å; N72-A86 HydrophobicContact CB-CB 3.95Å; N72-A86 WeakPolarHBondContact OD1-CB 3.47Å; C84-A86 PolarHBondContact O-N 3.24Å
87	C	83.7	Confident	72.2	Confident	50 Å²	50	81.3 Å²	81.3	34%	0.338	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-6.5	176	-65.9	0	0	0	0	113.8	C9 H11 C84 Y85 K89	C9-C87 VanDerWaalsContact SG-SG 3.6Å; H11-C87 VanDerWaalsContact CE1-SG 3.52Å; H11-C87 PolarHBondContact ND1-SG 3.29Å; H11-C87 VanDerWaalsContact ND1-SG 3.42Å; C84-C87 HydrophobicContact CB-CB 4.11Å; C84-C87 PolarHBondContact O-N 3.18Å; Y85-C87 VanDerWaalsContact C-N 3.33Å; Y85-C87 PolarHBondContact O-N 3.4Å; C87-K89 HydrophobicContact CB-CD 4.48Å; C87-K89 HydrophobicContact CB-CG 3.88Å; C87-K89 PolarHBondContact O-N 3.23Å
88	G	81.7	Confident	69.5	Low	52 Å²	52	82.4 Å²	82.4	54%	0.536	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	26	-177.5	0	0	0	0	0	114.7	W83 C84 Y85	W83-G88 WeakPolarHBondContact CH2-O 3.27Å; W83-G88 VanDerWaalsContact CZ2-C 3.46Å; W83-G88 WeakPolarHBondContact CZ2-O 3.47Å; C84-G88 PolarHBondContact O-N 2.98Å; Y85-G88 PolarHBondContact O-N 3.4Å
89	K	80.6	Confident	67.3	Low	84 Å²	84	85.1 Å²	85.1	37%	0.365	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.6	-174.4	69.5	174.7	-173.7	172.8	0	113.2	C7 C84 C87 V91	C7-K89 PolarHBondContact O-NZ 3.02Å; C84-K89 PolarHBondContact N-O 3.01Å; C84-K89 PolarHBondContact O-N 3.42Å; C87-K89 HydrophobicContact CB-CD 4.48Å; C87-K89 HydrophobicContact CB-CG 3.88Å; C87-K89 PolarHBondContact O-N 3.23Å; K89-V91 HydrophobicContact CG-CG1 4.11Å
90	E	79.8	Confident	65.1	Low	45 Å²	45	90.2 Å²	90.2	21%	0.21	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.3	163.7	-158.8	174.3	142.1	0	0	109.1	R81 V82 W83	R81-E90 HydrophobicContact CB-CG 4.39Å; R81-E90 WeakPolarHBondContact CB-OE1 3.4Å; R81-E90 VanDerWaalsContact CD-OE1 3.26Å; R81-E90 WeakPolarHBondContact CD-OE1 3.48Å; R81-E90 WeakPolarHBondContact CG-OE1 3.32Å; R81-E90 IonicContact CZ-OE1 3.81Å; R81-E90 IonicContact CZ-OE2 3.7Å; R81-E90 IonicContact NE-OE1 3.67Å; R81-E90 IonicContact NE-OE2 3.98Å; R81-E90 IonicContact NH1-OE1 3.51Å; R81-E90 IonicContact NH1-OE2 2.74Å; R81-E90 PolarHBondContact NH1-OE2 3.05Å; V82-E90 CarbonylContact O-C 3.56Å; V82-E90 WeakPolarHBondContact O-CA 3.4Å; V82-E90 WeakPolarHBondContact O-CG 3.38Å; W83-E90 HydrophobicContact CE3-CB 4.05Å; W83-E90 VanDerWaalsContact CE3-N 3.35Å; W83-E90 HydrophobicContact CZ3-CB 4.2Å; W83-E90 VanDerWaalsContact CZ3-N 3.27Å
91	V	79.9	Confident	62.7	Low	7 Å²	7	89.9 Å²	89.9	4%	0.042	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.8	-178.4	-60.2	0	0	0	0	109.8	C9 L12 L73 V82 C84 K89	C9-V91 HydrophobicContact CB-CB 4.26Å; C9-V91 HydrophobicContact CB-CG1 3.6Å; L12-V91 HydrophobicContact CD2-CG2 4.03Å; L73-V91 HydrophobicContact CD2-CG2 3.8Å; V82-V91 HydrophobicContact CB-CG2 3.89Å; V82-V91 HydrophobicContact CG1-CG2 3.58Å; V82-V91 PolarHBondContact O-N 2.85Å; C84-V91 HydrophobicContact CB-CG1 3.73Å; C84-V91 HydrophobicContact CB-CG2 4.27Å; K89-V91 HydrophobicContact CG-CG1 4.11Å
92	F	73.4	Confident	60.5	Low	129 Å²	129	91.4 Å²	91.4	57%	0.566	49%	0.487	S	S	*	.			trans	-107.6	130	-175.3	-56.2	-73.9	0	0	0	110.1	E94 L727	F92-E94 PolarHBondContact O-N 3.13Å; F92-L727 HydrophobicContact CZ-CD2 4.18Å
93	L	65.7	Low	57.7	Low	99 Å²	99	99 Å²	99	52%	0.518	53%	0.527	S	S	.	.			trans	-78.3	104.3	169.8	-72.3	167.3	0	0	0	108.3	L12 V82 R95	L12-L93 HydrophobicContact CD2-CD2 3.99Å; V82-L93 HydrophobicContact CG2-CD1 3.78Å; V82-L93 HydrophobicContact CG2-CG 4.08Å; L93-R95 PolarHBondContact O-N 3.45Å; L93-R95 VanDerWaalsContact O-N 3.13Å
94	E	50.3	Low	54.8	Low	152 Å²	152	100.1 Å²	100.1	71%	0.71	55%	0.554	S	S	*	*			trans	-60.8	115.9	174.8	-78.7	-153.3	144	0	0	111.2	F92 K96	F92-E94 PolarHBondContact O-N 3.13Å; E94-K96 PolarHBondContact O-N 2.9Å
95	R	40.6	Very low	51.9	Low	212 Å²	212	107.9 Å²	107.9	80%	0.8	59%	0.594	S	S	*	*			trans	-79.2	87.1	172.6	-118.2	175.2	171.8	-178.8	-0.6	109.5	L93 L97	L93-R95 PolarHBondContact O-N 3.45Å; L93-R95 VanDerWaalsContact O-N 3.13Å; R95-L97 HydrophobicContact CB-CD1 4.23Å; R95-L97 HydrophobicContact CB-CG 4.13Å; R95-L97 HydrophobicContact CG-CD1 4.06Å; R95-L97 HydrophobicContact CG-CG 4.02Å; R95-L97 PolarHBondContact O-N 3.31Å
96	K	31.4	Very low	49.2	Very low	178 Å²	178	113.4 Å²	113.4	77%	0.774	63%	0.625	S	S	*	*			trans	-68.3	71.7	167.2	-72.3	-174.7	176.9	174.8	0	110.9	E94 G98	E94-K96 PolarHBondContact O-N 2.9Å; K96-G98 VanDerWaalsContact C-N 3.31Å; K96-G98 PolarHBondContact O-N 2.74Å; K96-G98 VanDerWaalsContact O-N 3.14Å
97	L	27.3	Very low	46.3	Very low	141 Å²	141	119.6 Å²	119.6	74%	0.738	65%	0.645	S	S	*	*			trans	-85.8	69.4	178.5	-73.4	175.7	0	0	0	111.3	R95	R95-L97 HydrophobicContact CB-CD1 4.23Å; R95-L97 HydrophobicContact CB-CG 4.13Å; R95-L97 HydrophobicContact CG-CD1 4.06Å; R95-L97 HydrophobicContact CG-CG 4.02Å; R95-L97 PolarHBondContact O-N 3.31Å
98	G	25.3	Very low	43.9	Very low	40 Å²	40	122.7 Å²	122.7	41%	0.412	66%	0.664	S	S	.	*			trans	-89.7	148.4	150.7	0	0	0	0	0	109.8	K96 H100	K96-G98 VanDerWaalsContact C-N 3.31Å; K96-G98 PolarHBondContact O-N 2.74Å; K96-G98 VanDerWaalsContact O-N 3.14Å; G98-H100 PolarHBondContact O-N 3.05Å
99	P	29.4	Very low	41	Very low	139 Å²	139	128.1 Å²	128.1	90%	0.903	68%	0.68	S	S	*	*			trans	-75.8	86.8	-179.7	31	-34.9	0	0	0	111.6
100	H	26.3	Very low	38.8	Very low	178 Å²	178	129.8 Å²	129.8	82%	0.824	70%	0.7	S	S	*	*			trans	-94.7	112.5	170.8	-68.9	-61.6	0	0	0	111.3	G98	G98-H100 PolarHBondContact O-N 3.05Å
101	S	27.7	Very low	36.3	Very low	111 Å²	111	136 Å²	136	78%	0.776	73%	0.733	S	S	*	*			trans	-77.4	153.2	169	44.2	0	0	0	0	111.4
102	P	32	Very low	33.7	Very low	113 Å²	113	141 Å²	141	73%	0.734	77%	0.768	S	S	*	*			trans	-84.1	143	-166.6	31.5	-35.9	0	0	0	115.2
103	N	27.7	Very low	31.4	Very low	162 Å²	162	143 Å²	143	87%	0.866	78%	0.78	S	S	*	*			trans	63.6	109.3	151	-62.4	-18.2	0	0	0	120.5
104	A	26.3	Very low	29.5	Very low	106 Å²	106	144.4 Å²	144.4	88%	0.876	79%	0.787	S	S	*	*			trans	-140	138.7	136.9	0	0	0	0	0	109.7
105	I	30.3	Very low	28.3	Very low	162 Å²	162	143.4 Å²	143.4	83%	0.831	79%	0.787	S	S	*	*			trans	-100.6	141.6	-179.4	-62.1	163.6	0	0	0	108.9
106	I	27.8	Very low	27.7	Very low	167 Å²	167	138.9 Å²	138.9	86%	0.856	78%	0.783	S	S	*	*			trans	-176.2	154.9	145.8	-98.9	151.9	0	0	0	111.4
107	E	25.8	Very low	27.4	Very low	185 Å²	185	138 Å²	138	86%	0.864	78%	0.781	S	S	*	*			trans	-80.5	161.9	-177.3	-64.9	177.3	118.4	0	0	114.3
108	P	32.6	Very low	27.3	Very low	115 Å²	115	137 Å²	137	75%	0.747	78%	0.777	S	S	*	*			trans	-95.6	172	-177.5	37.9	-36.7	0	0	0	115.5
109	L	20.6	Very low	27.2	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	79%	0.789	S	S	*	*			trans	100.3	151.2	169.6	-61.2	166.1	0	0	0	116.7
110	P	33.7	Very low	26.9	Very low	120 Å²	120	139 Å²	139	78%	0.779	78%	0.778	S	S	*	*			cis	-130.7	-172.5	-19.6	35.8	-16.8	0	0	0	114.2
111	L	29.3	Very low	26.8	Very low	176 Å²	176	140.3 Å²	140.3	92%	0.921	78%	0.781	S	S	*	*			trans	-81.9	152.6	-179.6	-67	129	0	0	0	115.4
112	S	24.4	Very low	26.6	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	78%	0.781	S	S	*	*			trans	-152.5	113.4	149.5	56.6	0	0	0	0	107.5
113	Q	25.6	Very low	26.8	Very low	173 Å²	173	140.3 Å²	140.3	81%	0.808	79%	0.786	S	S	*	*				77.8	139.1	54.3	-142.7	-170	13.6	0	0	113.5
114	N	25.7	Very low	26.5	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	79%	0.786	S	S	*	*			trans	77.6	142.9	172.5	-54.9	-3.3	0	0	0	116.2
115	D	25.3	Very low	26.3	Very low	131 Å²	131	137.1 Å²	137.1	70%	0.701	78%	0.784	S	S	*	*			cis	-164.9	168.9	-9	-124.6	-44.5	0	0	0	113.1
116	V	26.6	Very low	26.3	Very low	118 Å²	118	134.5 Å²	134.5	72%	0.715	78%	0.777	S	S	*	*			trans	62.9	147.1	148.4	158.9	0	0	0	0	120.2
117	Q	25.8	Very low	26	Very low	158 Å²	158	132.8 Å²	132.8	74%	0.738	78%	0.775	S	S	*	*			cis	-169.8	154.5	-30.9	-159.7	-179.6	-23.3	0	0	110
118	D	24.8	Very low	25.7	Very low	122 Å²	122	128.7 Å²	128.7	65%	0.652	77%	0.766	S	S	*	*			trans	86.2	125.2	142.7	-122.2	37.9	0	0	0	125
119	N	23.5	Very low	25.1	Very low	125 Å²	125	130.5 Å²	130.5	67%	0.668	77%	0.769	S	S	*	*			trans	63.5	97.8	135.5	-88.5	-40.2	0	0	0	125
120	S	23.8	Very low	25.2	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	77%	0.771	S	S	*	*				109.5	136.5	99.7	79.6	0	0	0	0	122.4
121	K	23.8	Very low	24.5	Very low	206 Å²	206	134.3 Å²	134.3	90%	0.896	77%	0.773	S	S	*	*			trans	69.3	129.2	151.3	-71.2	174.8	-179.8	174.5	0	121.7
122	A	23.3	Very low	24.3	Very low	93 Å²	93	131.5 Å²	131.5	77%	0.769	77%	0.765	S	S	*	*			trans	-89.7	-173	161.1	0	0	0	0	0	110.3
123	P	35.8	Very low	24.2	Very low	131 Å²	131	130.8 Å²	130.8	85%	0.851	76%	0.76	S	S	*	*			cis	-135.5	173.5	1.5	42.5	-25.6	0	0	0	116.4
124	G	21.2	Very low	24	Very low	84 Å²	84	130.2 Å²	130.2	87%	0.866	76%	0.762	S	S	*	*			trans	175.6	146.6	168.1	0	0	0	0	0	115.4
125	S	22.1	Very low	24	Very low	118 Å²	118	130.9 Å²	130.9	83%	0.825	77%	0.771	S	S	*	*			trans	-148.5	163.6	175.2	-160.5	0	0	0	0	106.9
126	P	31.8	Very low	24	Very low	106 Å²	106	127.7 Å²	127.7	69%	0.688	77%	0.769	S	S	*	*			cis	-140.6	-176.3	11.8	35.5	-12.6	0	0	0	117.4
127	T	20.8	Very low	24	Very low	132 Å²	132	133.5 Å²	133.5	81%	0.81	78%	0.78	S	S	*	*			trans	86.2	130.1	148.6	1.6	0	0	0	0	123.1
128	S	19.7	Very low	24.1	Very low	98 Å²	98	135 Å²	135	69%	0.685	79%	0.787	S	S	*	*			trans	96.2	103	138.1	-148.8	0	0	0	0	122
129	L	20.1	Very low	24.2	Very low	154 Å²	154	136.5 Å²	136.5	81%	0.806	80%	0.795	S	S	*	*			trans	49.3	104.8	135.5	-59.8	174.5	0	0	0	121
130	K	21.9	Very low	24.9	Very low	210 Å²	210	138.1 Å²	138.1	91%	0.913	80%	0.802	S	S	*	*				179.1	149.1	105.6	-97.1	166.7	-176.6	177.5	0	113.7
131	L	20	Very low	25.1	Very low	155 Å²	155	140.7 Å²	140.7	81%	0.812	81%	0.809	S	S	*	*			trans	-80.7	160.8	165.5	-135.6	78.5	0	0	0	109.9
132	P	24.8	Very low	26	Very low	116 Å²	116	139.7 Å²	139.7	75%	0.753	81%	0.81	S	S	*	*				-146.3	148.2	72.6	37.4	-18.6	0	0	0	118.3
133	S	21.7	Very low	26.4	Very low	95 Å²	95	143.1 Å²	143.1	66%	0.664	81%	0.81	S	S	*	*			trans	64.4	123.3	143.5	-55.2	0	0	0	0	122.7
134	N	22.5	Very low	26.4	Very low	161 Å²	161	141.2 Å²	141.2	86%	0.861	80%	0.796	S	S	*	*			trans	51.9	139.3	150.3	-63	9.3	0	0	0	118.8
135	V	24.2	Very low	27.4	Very low	141 Å²	141	145.7 Å²	145.7	86%	0.855	79%	0.794	S	S	*	*			cis	-130.3	152.2	22.5	173.5	0	0	0	0	109.5
136	G	25.5	Very low	28.2	Very low	64 Å²	64	148.4 Å²	148.4	66%	0.66	79%	0.794	S	S	*	*			trans	-85.5	169.5	-177.3	0	0	0	0	0	115.2
137	Y	27.1	Very low	28.6	Very low	241 Å²	241	150.1 Å²	150.1	95%	0.945	79%	0.793	S	S	*	*			trans	-140.4	148.4	148.9	-121.4	-91.2	0	0	0	107.5
138	E	28.4	Very low	29.8	Very low	190 Å²	190	145.2 Å²	145.2	89%	0.888	76%	0.761	S	S	*	*			trans	-86	145.3	-179.8	-63.7	167.2	142.5	0	0	109.7
139	D	25.5	Very low	31.1	Very low	152 Å²	152	145.4 Å²	145.4	81%	0.813	76%	0.755	S	S	*	*			trans	-116.5	157.7	176.4	-151.1	-12.7	0	0	0	110.5	D141	D139-D141 PolarHBondContact O-N 3.05Å
140	L	38.4	Very low	32.4	Very low	159 Å²	159	145 Å²	145	83%	0.832	75%	0.752	S	S	*	*			trans	-98.6	77.7	-159.2	-71.6	164.5	0	0	0	113.2	M142	L140-M142 VanDerWaalsContact C-N 3.3Å; L140-M142 PolarHBondContact O-N 2.9Å
141	D	29.4	Very low	34.3	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	74%	0.738	S	S	*	*			trans	-70.3	81.6	171.2	-75.7	-18.2	0	0	0	111.6	D139 E143	D139-D141 PolarHBondContact O-N 3.05Å; D141-E143 PolarHBondContact O-N 2.8Å
142	M	41.3	Very low	36.7	Very low	186 Å²	186	135.7 Å²	135.7	92%	0.916	70%	0.703	S	S	*	*			trans	-84.6	49.6	167.7	-165.2	-177	65.5	0	0	110.8	L140	L140-M142 VanDerWaalsContact C-N 3.3Å; L140-M142 PolarHBondContact O-N 2.9Å
143	E	32	Very low	39.7	Very low	164 Å²	164	133 Å²	133	77%	0.766	68%	0.678	S	S	*	*			trans	-93.2	100.8	176.7	-64.8	-158.4	144	0	0	110.7	D141	D141-E143 PolarHBondContact O-N 2.8Å
144	T	36.7	Very low	42.8	Very low	91 Å²	91	128.5 Å²	128.5	56%	0.558	65%	0.646	S	S	*	*			trans	22.2	102.5	162.2	47.1	0	0	0	0	118	E146 E147	T144-E146 PolarHBondContact O-N 3.14Å; T144-E147 PolarHBondContact O-N 3.4Å; T144-E147 VanDerWaalsContact O-N 3.16Å
145	E	41	Very low	46.1	Very low	178 Å²	178	122.3 Å²	122.3	83%	0.832	61%	0.613	S	S	*	*	H	α-helix	trans	-54.3	-24	175	-58	-173.1	133.4	0	0	114.1	E147 D148	E145-E147 PolarHBondContact O-N 3.05Å; E145-D148 PolarHBondContact O-N 2.78Å
146	E	40.1	Very low	49.5	Very low	176 Å²	176	115.6 Å²	115.6	82%	0.822	57%	0.572	S	S	*	*	H	α-helix	trans	-69.1	-24.5	-179.5	-60.9	-172.5	162.2	0	0	114.5	T144	T144-E146 PolarHBondContact O-N 3.14Å
147	E	39.3	Very low	52.9	Low	142 Å²	142	112.6 Å²	112.6	66%	0.664	54%	0.541	S	S	*	.	H	α-helix	trans	-84.6	-26	175.5	-70.6	-154.6	156.4	0	0	113.1	T144 E145 D149 L150	T144-E147 PolarHBondContact O-N 3.4Å; T144-E147 VanDerWaalsContact O-N 3.16Å; E145-E147 PolarHBondContact O-N 3.05Å; E147-D149 VanDerWaalsContact C-N 3.3Å; E147-D149 PolarHBondContact O-N 3.35Å; E147-L150 WeakPolarHBondContact O-CB 3.49Å; E147-L150 PolarHBondContact O-N 2.75Å; E147-L150 VanDerWaalsContact O-N 3.11Å
148	D	45.9	Very low	56.2	Low	28 Å²	28	101.1 Å²	101.1	15%	0.15	50%	0.496	C	S	.	.	H	α-helix	trans	-78.2	-11.1	-174.1	-170.7	61.1	0	0	0	114.1	E145 R151 R153 K213	E145-D148 PolarHBondContact O-N 2.78Å; D148-R151 IonicContact OD1-NH1 3.77Å; D148-R153 PolarHBondContact O-NH2 2.82Å; D148-R153 IonicContact OD2-NH2 3.84Å; D148-K213 WeakPolarHBondContact OD2-CD 3.16Å; D148-K213 WeakPolarHBondContact OD2-CE 3.43Å; D148-K213 IonicContact OD2-NZ 2.82Å; D148-K213 PolarHBondContact OD2-NZ 3.37Å
149	D	48.2	Very low	59.3	Low	102 Å²	102	95.9 Å²	95.9	55%	0.545	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.6	167.1	-91.1	-10.3	0	0	0	113.3	E147 R151 R153	E147-D149 VanDerWaalsContact C-N 3.3Å; E147-D149 PolarHBondContact O-N 3.35Å; D149-R151 VanDerWaalsContact C-N 3.35Å; D149-R153 IonicContact OD1-CZ 3.34Å; D149-R153 IonicContact OD1-NH1 3.08Å; D149-R153 PolarHBondContact OD1-NH1 3.31Å; D149-R153 VanDerWaalsContact OD1-NH1 3.17Å; D149-R153 IonicContact OD1-NH2 2.7Å; D149-R153 PolarHBondContact OD1-NH2 3.35Å
150	L	46.8	Very low	62.4	Low	145 Å²	145	90.9 Å²	90.9	76%	0.759	44%	0.443	S	S	*	.	S	Bend	trans	-80	-14.5	172.4	-66.4	172.7	0	0	0	113.3	E147 A152	E147-L150 WeakPolarHBondContact O-CB 3.49Å; E147-L150 PolarHBondContact O-N 2.75Å; E147-L150 VanDerWaalsContact O-N 3.11Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.39Å
151	R	60.6	Low	64.7	Low	161 Å²	161	86.8 Å²	86.8	61%	0.608	42%	0.422	S	S	*	.	S	Bend	trans	-75.3	78.7	175.5	-77.9	-177.3	169	164.2	-0.1	111.6	D148 D149 R153	D148-R151 IonicContact OD1-NH1 3.77Å; D149-R151 VanDerWaalsContact C-N 3.35Å; R151-R153 WeakPolarHBondContact O-CG 3.49Å; R151-R153 PolarHBondContact O-N 3.26Å
152	A	70.8	Confident	67.2	Low	9 Å²	9	82 Å²	82	7%	0.074	41%	0.407	C	S	.	.			trans	-36	108.7	177.9	0	0	0	0	0	112.6	L150 L155 R215	L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.39Å; A152-L155 HydrophobicContact CB-CD1 3.83Å; A152-L155 HydrophobicContact CB-CG 4.45Å; A152-R215 PolarHBondContact O-NH1 3.41Å; A152-R215 PolarHBondContact O-NH2 3.21Å
153	R	87.6	Confident	69.4	Low	61 Å²	61	76 Å²	76	23%	0.23	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	161.8	-174	-58.3	179.3	-172.7	133.2	11.1	110.2	D148 D149 R151 L155 W211 N670	D148-R153 PolarHBondContact O-NH2 2.82Å; D148-R153 IonicContact OD2-NH2 3.84Å; D149-R153 IonicContact OD1-CZ 3.34Å; D149-R153 IonicContact OD1-NH1 3.08Å; D149-R153 PolarHBondContact OD1-NH1 3.31Å; D149-R153 VanDerWaalsContact OD1-NH1 3.17Å; D149-R153 IonicContact OD1-NH2 2.7Å; D149-R153 PolarHBondContact OD1-NH2 3.35Å; R151-R153 WeakPolarHBondContact O-CG 3.49Å; R151-R153 PolarHBondContact O-N 3.26Å; R153-L155 PolarHBondContact O-N 3.37Å; R153-W211 HydrophobicContact CB-CE3 3.81Å; R153-W211 HydrophobicContact CB-CZ3 4.29Å; R153-W211 VanDerWaalsContact O-CZ3 3.31Å; R153-W211 WeakPolarHBondContact O-CZ3 3.44Å; R153-N670 PolarHBondContact O-ND2 2.88Å
154	G	87.4	Confident	72.2	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-9.2	-176.2	0	0	0	0	0	115.2	T156 L210	G154-T156 PolarHBondContact O-N 3.15Å; G154-L210 WeakPolarHBondContact CA-O 3.2Å; G154-L210 PolarHBondContact N-O 2.92Å
155	L	92.6	Very high	75	Confident	30 Å²	30	64.8 Å²	64.8	16%	0.157	32%	0.322	C	S	.	.			trans	-81.7	80.6	174.2	-51.4	-178.4	0	0	0	110.3	A152 R153 R215 N670 Y677 F679 V684	A152-L155 HydrophobicContact CB-CD1 3.83Å; A152-L155 HydrophobicContact CB-CG 4.45Å; R153-L155 PolarHBondContact O-N 3.37Å; L155-R215 PolarHBondContact O-NE 2.86Å; L155-R215 PolarHBondContact O-NH2 3.2Å; L155-N670 HydrophobicContact CD2-CB 4.26Å; L155-N670 WeakPolarHBondContact CD2-ND2 3.43Å; L155-Y677 HydrophobicContact CD1-CD1 4.22Å; L155-Y677 HydrophobicContact CD1-CD2 4.31Å; L155-Y677 HydrophobicContact CD1-CE1 3.81Å; L155-Y677 HydrophobicContact CD1-CE2 3.89Å; L155-Y677 HydrophobicContact CD1-CG 4.48Å; L155-Y677 HydrophobicContact CD2-CD1 4.07Å; L155-Y677 HydrophobicContact CD2-CD2 3.45Å; L155-Y677 VanDerWaalsContact CD2-CD2 3.45Å; L155-Y677 HydrophobicContact CD2-CE1 4.42Å; L155-Y677 HydrophobicContact CD2-CE2 3.83Å; L155-Y677 HydrophobicContact CD2-CG 3.6Å; L155-F679 HydrophobicContact CD2-CZ 4.07Å; L155-V684 HydrophobicContact CB-CG1 4.41Å
156	T	94.7	Very high	77.6	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	28%	0.284	C	S	.	.			trans	-148.8	133.2	177.2	-74.6	0	0	0	0	109.5	G154 Q172 L210 R215 P216 V219	G154-T156 PolarHBondContact O-N 3.15Å; T156-Q172 PolarHBondContact O-NE2 3.26Å; T156-L210 HydrophobicContact CG2-CD2 3.63Å; T156-R215 WeakPolarHBondContact OG1-CD 3.41Å; T156-R215 VanDerWaalsContact OG1-CG 3.31Å; T156-R215 WeakPolarHBondContact OG1-CG 3.37Å; T156-R215 PolarHBondContact OG1-NE 3.35Å; T156-P216 WeakPolarHBondContact CG2-O 3.34Å; T156-P216 PolarHBondContact OG1-O 3.06Å; T156-V219 HydrophobicContact CG2-CB 4.46Å; T156-V219 HydrophobicContact CG2-CG2 3.81Å
157	G	96.3	Very high	80.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	169.4	-179.3	0	0	0	0	0	114.3	S217 Y218 V219 D681	G157-S217 PolarHBondContact N-O 2.65Å; G157-Y218 CarbonylContact O-C 3.51Å; G157-Y218 WeakPolarHBondContact O-CA 3.35Å; G157-V219 PolarHBondContact O-N 3.35Å; G157-D681 CarbonylContact C-O 3.58Å; G157-D681 VanDerWaalsContact CA-O 3.29Å; G157-D681 WeakPolarHBondContact CA-O 3.16Å
158	L	96.5	Very high	82.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.5	172.2	-65.8	179.1	0	0	0	110.1	N160 N168 L171 Q172 L206 L210 V219 P221 D681 Q682	L158-N160 PolarHBondContact O-N 2.8Å; L158-N168 HydrophobicContact CB-CB 4Å; L158-N168 WeakPolarHBondContact CB-OD1 3.44Å; L158-N168 HydrophobicContact CD1-CB 4.31Å; L158-N168 PolarHBondContact O-ND2 2.79Å; L158-L171 HydrophobicContact CD1-CB 3.66Å; L158-L171 HydrophobicContact CD1-CD1 4.14Å; L158-Q172 HydrophobicContact CD1-CG 4.18Å; L158-L206 HydrophobicContact CD2-CD1 3.9Å; L158-L210 HydrophobicContact CD2-CD1 4.35Å; L158-L210 HydrophobicContact CD2-CD2 3.9Å; L158-V219 HydrophobicContact CD2-CB 4.22Å; L158-P221 HydrophobicContact CD2-CG 4.11Å; L158-D681 PolarHBondContact N-O 2.7Å; L158-D681 CarbonylContact O-C 3.58Å; L158-D681 VanDerWaalsContact O-CA 3.26Å; L158-D681 WeakPolarHBondContact O-CA 3.45Å; L158-D681 WeakPolarHBondContact O-CB 3.3Å; L158-Q682 PolarHBondContact O-N 3.18Å
159	K	94.5	Very high	85.4	Confident	81 Å²	81	40.5 Å²	40.5	35%	0.352	21%	0.208	S	C	.	.			trans	-62.8	130.5	-176.3	-174.9	168.4	-177.5	171.1	0	112	I161 Y218 V219 V220	K159-I161 WeakPolarHBondContact O-CG1 3.49Å; K159-Y218 HydrophobicContact CB-CD2 3.87Å; K159-Y218 HydrophobicContact CB-CE2 4.24Å; K159-Y218 HydrophobicContact CD-CD2 4.33Å; K159-Y218 HydrophobicContact CD-CE2 3.85Å; K159-V219 PolarHBondContact N-O 3.05Å; K159-V220 HydrophobicContact CB-CG2 3.97Å; K159-V220 HydrophobicContact CD-CG2 4.08Å
160	N	90	Very high	87.8	Confident	46 Å²	46	35.7 Å²	35.7	25%	0.246	18%	0.182	C	C	.	.			trans	-67.8	132.6	170.7	-159.6	-33.1	0	0	0	110.9	L158 G162 N163 T164 D681	L158-N160 PolarHBondContact O-N 2.8Å; N160-G162 PolarHBondContact OD1-N 3.07Å; N160-G162 PolarHBondContact OD1-O 2.82Å; N160-G162 VanDerWaalsContact OD1-O 3.13Å; N160-N163 PolarHBondContact OD1-N 2.99Å; N160-T164 WeakPolarHBondContact CA-OG1 3.47Å; N160-T164 PolarHBondContact OD1-N 3.27Å; N160-T164 PolarHBondContact OD1-OG1 3.2Å; N160-D681 HydrophobicContact CB-CB 4.09Å; N160-D681 WeakPolarHBondContact CB-OD2 3.32Å; N160-D681 PolarHBondContact ND2-OD2 2.82Å
161	I	86.6	Confident	90.2	Very high	73 Å²	73	28.9 Å²	28.9	37%	0.374	15%	0.146	S	C	.	.			trans	-113.5	32.4	178.2	-33.6	-172.7	0	0	0	111.1	K159 T164 V220 F225	K159-I161 WeakPolarHBondContact O-CG1 3.49Å; I161-T164 HydrophobicContact CB-CG2 4.03Å; I161-T164 HydrophobicContact CG1-CG2 4.48Å; I161-T164 PolarHBondContact N-OG1 3.02Å; I161-V220 HydrophobicContact CD1-CG1 3.65Å; I161-V220 HydrophobicContact CG1-CG1 4.46Å; I161-F225 HydrophobicContact CD1-CD2 3.56Å; I161-F225 HydrophobicContact CD1-CE2 3.36Å; I161-F225 HydrophobicContact CD1-CZ 4.37Å; I161-F225 HydrophobicContact CG1-CD2 4.46Å; I161-F225 HydrophobicContact CG1-CE2 3.86Å; I161-F225 HydrophobicContact CG1-CZ 4.46Å
162	G	82.4	Confident	92	Very high	48 Å²	48	21.3 Å²	21.3	50%	0.495	12%	0.118	S	C	.	.	S	Bend	trans	131.1	-83	175.7	0	0	0	0	0	110.9	N160	N160-G162 PolarHBondContact OD1-N 3.07Å; N160-G162 PolarHBondContact OD1-O 2.82Å; N160-G162 VanDerWaalsContact OD1-O 3.13Å
163	N	86.9	Confident	93.3	Very high	60 Å²	60	20.9 Å²	20.9	32%	0.321	11%	0.114	S	C	.	.	S	Bend	trans	-124.4	40.2	176.8	-75.7	-44.3	0	0	0	110.8	N160 Y166 Y238 Q240	N160-N163 PolarHBondContact OD1-N 2.99Å; N163-Y166 WeakPolarHBondContact O-CD1 3.38Å; N163-Y166 WeakPolarHBondContact O-CE1 3.43Å; N163-Y238 PolarHBondContact ND2-O 2.72Å; N163-Q240 HydrophobicContact CB-CG 4.03Å
164	T	91.9	Very high	93.7	Very high	16 Å²	16	18 Å²	18	10%	0.098	10%	0.103	C	C	.	.			trans	-91.6	3.9	-171.5	63.9	0	0	0	0	114.7	N160 I161 Y166 M167 N168 F225	N160-T164 WeakPolarHBondContact CA-OG1 3.47Å; N160-T164 PolarHBondContact OD1-N 3.27Å; N160-T164 PolarHBondContact OD1-OG1 3.2Å; I161-T164 HydrophobicContact CB-CG2 4.03Å; I161-T164 HydrophobicContact CG1-CG2 4.48Å; I161-T164 PolarHBondContact N-OG1 3.02Å; T164-Y166 VanDerWaalsContact C-N 3.28Å; T164-Y166 PolarHBondContact O-N 3.21Å; T164-M167 WeakPolarHBondContact O-CA 3.36Å; T164-M167 WeakPolarHBondContact O-CB 3.3Å; T164-M167 PolarHBondContact O-N 2.95Å; T164-N168 PolarHBondContact O-N 2.95Å; T164-N168 PolarHBondContact OG1-ND2 3.15Å; T164-F225 HydrophobicContact CG2-CD1 4.49Å; T164-F225 HydrophobicContact CG2-CE1 3.7Å; T164-F225 HydrophobicContact CG2-CZ 3.73Å
165	C	94.8	Very high	94.2	Very high	4 Å²	4	18 Å²	18	3%	0.027	10%	0.104	C	C	.	.	H	α-helix	trans	-57.4	-36	-177.1	55	0	0	0	0	113.7	M167 N168 A169 H663 D681	C165-M167 VanDerWaalsContact C-N 3.26Å; C165-M167 PolarHBondContact O-N 2.77Å; C165-N168 PolarHBondContact O-N 2.81Å; C165-N168 VanDerWaalsContact O-N 3.16Å; C165-A169 WeakPolarHBondContact O-CB 3.33Å; C165-A169 PolarHBondContact O-N 3.12Å; C165-H663 WeakPolarHBondContact CB-CE1 3.35Å; C165-H663 WeakPolarHBondContact CB-ND1 3.48Å; C165-H663 PolarHBondContact SG-ND1 2.64Å; C165-D681 WeakPolarHBondContact CA-OD1 3.39Å
166	Y	95	Very high	94.3	Very high	8 Å²	8	16.9 Å²	16.9	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-61	-33.1	174.5	71.9	-91.8	0	0	0	113.1	N163 T164 A170 F235 Q241 S243 F246 Y664	N163-Y166 WeakPolarHBondContact O-CD1 3.38Å; N163-Y166 WeakPolarHBondContact O-CE1 3.43Å; T164-Y166 VanDerWaalsContact C-N 3.28Å; T164-Y166 PolarHBondContact O-N 3.21Å; Y166-A170 WeakPolarHBondContact O-CB 3.38Å; Y166-F235 AromaticContact CE2-CD1 3.88Å; Y166-F235 HydrophobicContact CE2-CD1 3.88Å; Y166-F235 AromaticContact CE2-CE1 3.91Å; Y166-F235 HydrophobicContact CE2-CE1 3.91Å; Y166-F235 WeakPolarHBondContact OH-CD1 3.41Å; Y166-Q241 WeakPolarHBondContact CB-O 3.36Å; Y166-Q241 HydrophobicContact CD1-CB 4.32Å; Y166-Q241 HydrophobicContact CD2-CB 4.08Å; Y166-Q241 HydrophobicContact CE1-CB 3.94Å; Y166-Q241 HydrophobicContact CE1-CG 4.14Å; Y166-Q241 HydrophobicContact CE2-CB 3.71Å; Y166-Q241 HydrophobicContact CE2-CG 4.25Å; Y166-Q241 HydrophobicContact CG-CB 4.38Å; Y166-S243 PolarHBondContact O-OG 2.95Å; Y166-F246 HydrophobicContact CD2-CB 3.9Å; Y166-F246 HydrophobicContact CD2-CG 4.19Å; Y166-F246 HydrophobicContact CE2-CB 4.11Å; Y166-F246 HydrophobicContact CE2-CD2 4.16Å; Y166-F246 HydrophobicContact CE2-CG 4.27Å; Y166-Y664 VanDerWaalsContact CB-CD2 3.48Å
167	M	95.3	Very high	94.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-78.4	-43.5	172.2	-59.3	-158.3	173.6	0	0	111	T164 C165 A170 L171 F225 I228 F235 F246	T164-M167 WeakPolarHBondContact O-CA 3.36Å; T164-M167 WeakPolarHBondContact O-CB 3.3Å; T164-M167 PolarHBondContact O-N 2.95Å; C165-M167 VanDerWaalsContact C-N 3.26Å; C165-M167 PolarHBondContact O-N 2.77Å; M167-A170 PolarHBondContact O-N 2.9Å; M167-L171 HydrophobicContact CB-CD1 4.5Å; M167-L171 WeakPolarHBondContact O-CB 3.34Å; M167-L171 WeakPolarHBondContact O-CG 3.23Å; M167-L171 PolarHBondContact O-N 2.84Å; M167-F225 HydrophobicContact CB-CE1 3.98Å; M167-F225 HydrophobicContact CG-CE1 4.16Å; M167-F225 HydrophobicContact SD-CD1 3.47Å; M167-F225 WeakPolarHBondContact SD-CD1 3.32Å; M167-F225 HydrophobicContact SD-CE1 3.4Å; M167-F225 WeakPolarHBondContact SD-CE1 3.14Å; M167-I228 HydrophobicContact CE-CG2 4.08Å; M167-F235 HydrophobicContact CE-CB 3.62Å; M167-F235 HydrophobicContact CE-CD1 3.78Å; M167-F235 HydrophobicContact CE-CD2 4.31Å; M167-F235 HydrophobicContact CE-CG 3.63Å; M167-F246 HydrophobicContact CB-CD1 4.38Å; M167-F246 HydrophobicContact CB-CD2 4.39Å; M167-F246 HydrophobicContact CB-CE1 3.95Å; M167-F246 HydrophobicContact CB-CE2 3.93Å; M167-F246 HydrophobicContact CB-CZ 3.69Å; M167-F246 HydrophobicContact CE-CD2 3.69Å; M167-F246 HydrophobicContact CE-CE2 3.59Å; M167-F246 HydrophobicContact CG-CD1 4.35Å; M167-F246 HydrophobicContact CG-CD2 3.59Å; M167-F246 HydrophobicContact CG-CE1 4.21Å; M167-F246 HydrophobicContact CG-CE2 3.39Å; M167-F246 HydrophobicContact CG-CG 4.06Å; M167-F246 HydrophobicContact CG-CZ 3.72Å; M167-F246 HydrophobicContact SD-CD2 3.88Å; M167-F246 HydrophobicContact SD-CE2 3.29Å; M167-F246 WeakPolarHBondContact SD-CE2 3.47Å; M167-F246 HydrophobicContact SD-CZ 3.89Å
168	N	96.8	Very high	94.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-46.4	-175.6	-70.1	-19.7	0	0	0	111.5	L158 T164 C165 A170 L171 Q172 D681	L158-N168 HydrophobicContact CB-CB 4Å; L158-N168 WeakPolarHBondContact CB-OD1 3.44Å; L158-N168 HydrophobicContact CD1-CB 4.31Å; L158-N168 PolarHBondContact O-ND2 2.79Å; T164-N168 PolarHBondContact O-N 2.95Å; T164-N168 PolarHBondContact OG1-ND2 3.15Å; C165-N168 PolarHBondContact O-N 2.81Å; C165-N168 VanDerWaalsContact O-N 3.16Å; N168-A170 PolarHBondContact O-N 2.95Å; N168-L171 PolarHBondContact O-N 2.94Å; N168-Q172 VanDerWaalsContact O-CG 3.29Å; N168-Q172 WeakPolarHBondContact O-CG 3.47Å; N168-Q172 PolarHBondContact O-N 3.39Å; N168-D681 WeakPolarHBondContact CB-OD1 3.45Å; N168-D681 PolarHBondContact ND2-OD1 3.08Å
169	A	98	Very high	94.3	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-43.6	175.8	0	0	0	0	0	112.4	C165 Q172 A173 I653 A666	C165-A169 WeakPolarHBondContact O-CB 3.33Å; C165-A169 PolarHBondContact O-N 3.12Å; A169-Q172 PolarHBondContact O-N 3.26Å; A169-A173 WeakPolarHBondContact O-CB 3.43Å; A169-A173 PolarHBondContact O-N 3.14Å; A169-I653 HydrophobicContact CB-CG2 4.04Å; A169-A666 HydrophobicContact CB-CB 4.06Å
170	A	97.9	Very high	94.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-43.5	175.3	0	0	0	0	0	113.2	Y166 M167 N168 A173 L174 F246 L247 I653	Y166-A170 WeakPolarHBondContact O-CB 3.38Å; M167-A170 PolarHBondContact O-N 2.9Å; N168-A170 PolarHBondContact O-N 2.95Å; A170-A173 PolarHBondContact O-N 3.5Å; A170-L174 WeakPolarHBondContact O-CG 3.28Å; A170-L174 PolarHBondContact O-N 2.99Å; A170-F246 HydrophobicContact CB-CD1 3.47Å; A170-F246 VanDerWaalsContact CB-CD1 3.47Å; A170-F246 HydrophobicContact CB-CE1 3.66Å; A170-L247 HydrophobicContact CB-CD1 4.4Å; A170-L247 HydrophobicContact CB-CD2 3.65Å; A170-L247 HydrophobicContact CB-CG 3.68Å; A170-I653 HydrophobicContact CB-CD1 4.3Å
171	L	97.8	Very high	94.7	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-66.5	-37.5	177.9	-71.2	169.6	0	0	0	111.8	L158 M167 N168 S175 Y203 L206 L224 F246 L250	L158-L171 HydrophobicContact CD1-CB 3.66Å; L158-L171 HydrophobicContact CD1-CD1 4.14Å; M167-L171 HydrophobicContact CB-CD1 4.5Å; M167-L171 WeakPolarHBondContact O-CB 3.34Å; M167-L171 WeakPolarHBondContact O-CG 3.23Å; M167-L171 PolarHBondContact O-N 2.84Å; N168-L171 PolarHBondContact O-N 2.94Å; L171-S175 WeakPolarHBondContact O-CB 3.33Å; L171-S175 PolarHBondContact O-N 3.22Å; L171-Y203 HydrophobicContact CD2-CD2 4.11Å; L171-Y203 HydrophobicContact CD2-CE2 3.86Å; L171-L206 HydrophobicContact CD1-CD2 4.13Å; L171-L206 HydrophobicContact CD2-CD2 4.35Å; L171-L224 HydrophobicContact CD1-CD2 3.87Å; L171-L224 HydrophobicContact CD2-CD2 3.57Å; L171-L224 HydrophobicContact CG-CD2 4.4Å; L171-F246 HydrophobicContact CD1-CZ 4.49Å; L171-F246 HydrophobicContact CD2-CE1 4.46Å; L171-F246 HydrophobicContact CD2-CZ 4.38Å; L171-F246 HydrophobicContact CG-CE1 4.18Å; L171-F246 HydrophobicContact CG-CZ 4.24Å; L171-L250 HydrophobicContact CD2-CD2 3.64Å
172	Q	97.7	Very high	95	Very high	2 Å²	2	11 Å²	11	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-67.6	-41.7	174.1	-66.1	-69	21.7	0	0	112.1	T156 L158 N168 A169 S175 N176 A666 F679	T156-Q172 PolarHBondContact O-NE2 3.26Å; L158-Q172 HydrophobicContact CD1-CG 4.18Å; N168-Q172 VanDerWaalsContact O-CG 3.29Å; N168-Q172 WeakPolarHBondContact O-CG 3.47Å; N168-Q172 PolarHBondContact O-N 3.39Å; A169-Q172 PolarHBondContact O-N 3.26Å; Q172-S175 PolarHBondContact O-N 2.72Å; Q172-N176 PolarHBondContact O-N 2.92Å; Q172-N176 PolarHBondContact O-ND2 3.11Å; Q172-A666 HydrophobicContact CB-CB 4.3Å; Q172-F679 HydrophobicContact CB-CB 4.32Å; Q172-F679 HydrophobicContact CB-CD1 4.44Å; Q172-F679 HydrophobicContact CB-CG 4.29Å; Q172-F679 VanDerWaalsContact CD-CD1 3.42Å; Q172-F679 HydrophobicContact CG-CB 3.99Å; Q172-F679 HydrophobicContact CG-CD1 3.92Å; Q172-F679 HydrophobicContact CG-CG 4.09Å; Q172-F679 VanDerWaalsContact NE2-CD1 3.28Å
173	A	97.9	Very high	95.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.3	-45.3	176.4	0	0	0	0	0	112.1	A169 A170 N176 C177 I653 F701	A169-A173 WeakPolarHBondContact O-CB 3.43Å; A169-A173 PolarHBondContact O-N 3.14Å; A170-A173 PolarHBondContact O-N 3.5Å; A173-N176 PolarHBondContact O-N 3.18Å; A173-C177 PolarHBondContact O-N 3.28Å; A173-C177 PolarHBondContact O-SG 3.37Å; A173-I653 HydrophobicContact CB-CD1 3.98Å; A173-I653 HydrophobicContact CB-CG1 3.97Å; A173-F701 HydrophobicContact CB-CD2 3.85Å; A173-F701 HydrophobicContact CB-CE2 3.57Å; A173-F701 HydrophobicContact CB-CZ 4.21Å
174	L	97.7	Very high	96	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.7	-41.1	174.1	-70.3	174.8	0	0	0	112.5	A170 N176 C177 L180 Y203 L247 L250 M251 F459 F701	A170-L174 WeakPolarHBondContact O-CG 3.28Å; A170-L174 PolarHBondContact O-N 2.99Å; L174-N176 PolarHBondContact O-N 3.39Å; L174-C177 VanDerWaalsContact O-CB 3.31Å; L174-C177 WeakPolarHBondContact O-CB 3.42Å; L174-C177 PolarHBondContact O-N 3.29Å; L174-L180 HydrophobicContact CB-CD2 4.21Å; L174-L180 HydrophobicContact CD2-CD2 4.18Å; L174-Y203 WeakPolarHBondContact CB-OH 3.2Å; L174-L247 HydrophobicContact CD1-CD2 3.64Å; L174-L247 HydrophobicContact CD2-CD2 4.13Å; L174-L247 HydrophobicContact CG-CD2 3.69Å; L174-L250 HydrophobicContact CD1-CD2 3.76Å; L174-L250 HydrophobicContact CD1-CG 4.49Å; L174-M251 HydrophobicContact CD2-SD 4.34Å; L174-F459 HydrophobicContact CD2-CE1 4.31Å; L174-F459 HydrophobicContact CD2-CE2 4.39Å; L174-F459 HydrophobicContact CD2-CZ 3.72Å; L174-F701 HydrophobicContact CD2-CE1 3.97Å; L174-F701 HydrophobicContact CD2-CZ 4.34Å
175	S	96.4	Very high	96	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-61.4	-27.9	176.5	-177.7	0	0	0	0	112.6	L171 Q172 T181 W211	L171-S175 WeakPolarHBondContact O-CB 3.33Å; L171-S175 PolarHBondContact O-N 3.22Å; Q172-S175 PolarHBondContact O-N 2.72Å; S175-T181 PolarHBondContact O-OG1 2.79Å; S175-W211 WeakPolarHBondContact O-CZ2 3.38Å; S175-W211 PolarHBondContact O-NE1 2.7Å; S175-W211 VanDerWaalsContact O-NE1 3.16Å; S175-W211 PolarHBondContact OG-NE1 2.85Å
176	N	95.8	Very high	95.8	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.032	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	11.3	174.5	-72.8	-86.7	0	0	0	113.8	Q172 A173 L174 P178 C668	Q172-N176 PolarHBondContact O-N 2.92Å; Q172-N176 PolarHBondContact O-ND2 3.11Å; A173-N176 PolarHBondContact O-N 3.18Å; L174-N176 PolarHBondContact O-N 3.39Å; N176-P178 VanDerWaalsContact O-CD 3.27Å; N176-P178 WeakPolarHBondContact O-CD 3.12Å; N176-C668 HydrophobicContact CB-CB 3.7Å
177	C	96.8	Very high	95.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.			trans	-89.5	102.7	168.7	-68.1	0	0	0	0	110.5	A173 L174 L180 T181	A173-C177 PolarHBondContact O-N 3.28Å; A173-C177 PolarHBondContact O-SG 3.37Å; L174-C177 VanDerWaalsContact O-CB 3.31Å; L174-C177 WeakPolarHBondContact O-CB 3.42Å; L174-C177 PolarHBondContact O-N 3.29Å; C177-L180 HydrophobicContact CB-CB 4.34Å; C177-L180 PolarHBondContact O-N 3.05Å; C177-L180 VanDerWaalsContact O-N 3.09Å; C177-T181 PolarHBondContact O-N 3.03Å; C177-T181 VanDerWaalsContact O-N 3.07Å
178	P	94.6	Very high	94.7	Very high	17 Å²	17	11.7 Å²	11.7	11%	0.11	7%	0.066	C	C	.	.	H	α-helix	trans	-58.9	-39.4	-169.5	-23.4	34.4	0	0	0	115.4	N176 L180 Q182 T742	N176-P178 VanDerWaalsContact O-CD 3.27Å; N176-P178 WeakPolarHBondContact O-CD 3.12Å; P178-L180 VanDerWaalsContact C-N 3.31Å; P178-L180 PolarHBondContact O-N 3.37Å; P178-Q182 VanDerWaalsContact O-CB 3.28Å; P178-Q182 WeakPolarHBondContact O-CB 3.3Å; P178-Q182 VanDerWaalsContact O-CG 3.27Å; P178-Q182 WeakPolarHBondContact O-CG 3.49Å; P178-Q182 PolarHBondContact O-N 3.26Å; P178-T742 HydrophobicContact CB-CG2 4.4Å
179	P	95.8	Very high	93.8	Very high	1 Å²	1	12 Å²	12	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-57	-39.3	175.1	-27.8	36.6	0	0	0	114.4	F183 V458 E600 I601 F743	P179-F183 PolarHBondContact O-N 3.16Å; P179-V458 HydrophobicContact CB-CG1 4.06Å; P179-V458 HydrophobicContact CB-CG2 3.64Å; P179-E600 HydrophobicContact CG-CG 3.95Å; P179-I601 HydrophobicContact CG-CD1 4.12Å; P179-I601 HydrophobicContact CG-CG1 4.19Å; P179-F743 HydrophobicContact CB-CD2 4.23Å; P179-F743 HydrophobicContact CB-CE2 3.75Å; P179-F743 HydrophobicContact CB-CZ 4.43Å; P179-F743 HydrophobicContact CG-CD2 4.46Å; P179-F743 HydrophobicContact CG-CE2 4.41Å
180	L	96.3	Very high	93.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-76.6	-49.6	-179.2	-172.1	68.2	0	0	0	110.8	L174 C177 P178 F183 F184 Y203 V454 I455 F459	L174-L180 HydrophobicContact CB-CD2 4.21Å; L174-L180 HydrophobicContact CD2-CD2 4.18Å; C177-L180 HydrophobicContact CB-CB 4.34Å; C177-L180 PolarHBondContact O-N 3.05Å; C177-L180 VanDerWaalsContact O-N 3.09Å; P178-L180 VanDerWaalsContact C-N 3.31Å; P178-L180 PolarHBondContact O-N 3.37Å; L180-F183 WeakPolarHBondContact O-CB 3.37Å; L180-F183 PolarHBondContact O-N 2.96Å; L180-F184 HydrophobicContact CD1-CD2 4.28Å; L180-F184 HydrophobicContact CD1-CE2 3.75Å; L180-F184 HydrophobicContact CG-CD2 4.2Å; L180-F184 HydrophobicContact CG-CE2 4.04Å; L180-F184 VanDerWaalsContact O-CD2 3.32Å; L180-F184 WeakPolarHBondContact O-CD2 3.5Å; L180-F184 PolarHBondContact O-N 3.38Å; L180-Y203 HydrophobicContact CD2-CE1 4.22Å; L180-Y203 HydrophobicContact CG-CE1 4.49Å; L180-V454 HydrophobicContact CD1-CG1 4.18Å; L180-V454 HydrophobicContact CD1-CG2 4.07Å; L180-I455 HydrophobicContact CD1-CD1 3.76Å; L180-F459 HydrophobicContact CD1-CE2 4.39Å; L180-F459 HydrophobicContact CD2-CE2 4.12Å; L180-F459 HydrophobicContact CD2-CZ 4.25Å
181	T	95.6	Very high	92.4	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-45.4	-178.2	-73.9	0	0	0	0	112.2	S175 C177 F183 F184 L185 V207 W211	S175-T181 PolarHBondContact O-OG1 2.79Å; C177-T181 PolarHBondContact O-N 3.03Å; C177-T181 VanDerWaalsContact O-N 3.07Å; T181-F183 VanDerWaalsContact C-N 3.31Å; T181-F183 PolarHBondContact O-N 2.96Å; T181-F184 PolarHBondContact O-N 2.98Å; T181-L185 HydrophobicContact CG2-CD1 3.81Å; T181-L185 WeakPolarHBondContact O-CG 3.47Å; T181-L185 PolarHBondContact O-N 2.92Å; T181-L185 VanDerWaalsContact O-N 3.09Å; T181-V207 HydrophobicContact CG2-CG1 3.84Å; T181-W211 HydrophobicContact CG2-CD2 4.02Å; T181-W211 HydrophobicContact CG2-CG 4.09Å; T181-W211 HydrophobicContact CG2-CZ2 4.39Å
182	Q	94.4	Very high	91.4	Very high	55 Å²	55	17.8 Å²	17.8	26%	0.257	10%	0.096	S	C	.	.	H	α-helix	trans	-69.5	-28.7	178.9	-63.8	-64.3	-10.1	0	0	112.2	P178 E186 N738 T742	P178-Q182 VanDerWaalsContact O-CB 3.28Å; P178-Q182 WeakPolarHBondContact O-CB 3.3Å; P178-Q182 VanDerWaalsContact O-CG 3.27Å; P178-Q182 WeakPolarHBondContact O-CG 3.49Å; P178-Q182 PolarHBondContact O-N 3.26Å; Q182-E186 VanDerWaalsContact O-CB 3.29Å; Q182-E186 WeakPolarHBondContact O-CB 3.4Å; Q182-E186 WeakPolarHBondContact O-CG 3.11Å; Q182-E186 PolarHBondContact O-N 2.96Å; Q182-N738 WeakPolarHBondContact CB-ND2 3.27Å; Q182-N738 PolarHBondContact O-ND2 2.96Å; Q182-T742 HydrophobicContact CB-CG2 3.92Å; Q182-T742 HydrophobicContact CG-CG2 3.9Å
183	F	95.1	Very high	90.3	Very high	11 Å²	11	18.2 Å²	18.2	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-46.6	171.1	171.6	-94	0	0	0	111.6	P179 L180 T181 L185 C187 L190 V191 L258 V454 Q735 N738	P179-F183 PolarHBondContact O-N 3.16Å; L180-F183 WeakPolarHBondContact O-CB 3.37Å; L180-F183 PolarHBondContact O-N 2.96Å; T181-F183 VanDerWaalsContact C-N 3.31Å; T181-F183 PolarHBondContact O-N 2.96Å; F183-L185 VanDerWaalsContact C-N 3.31Å; F183-L185 PolarHBondContact O-N 3.33Å; F183-C187 HydrophobicContact CD2-CB 3.71Å; F183-C187 HydrophobicContact CE2-CB 3.88Å; F183-C187 HydrophobicContact CG-CB 4.36Å; F183-C187 CarbonylContact O-C 3.58Å; F183-C187 WeakPolarHBondContact O-CA 3.25Å; F183-C187 VanDerWaalsContact O-CB 3.24Å; F183-C187 WeakPolarHBondContact O-CB 3.48Å; F183-C187 PolarHBondContact O-N 2.96Å; F183-L190 HydrophobicContact CE2-CB 4.37Å; F183-L190 HydrophobicContact CE2-CD1 4.03Å; F183-L190 HydrophobicContact CZ-CB 4.14Å; F183-V191 HydrophobicContact CE1-CG2 4.17Å; F183-L258 HydrophobicContact CE1-CD1 4.39Å; F183-V454 HydrophobicContact CB-CG2 3.83Å; F183-V454 HydrophobicContact CD1-CB 3.86Å; F183-V454 HydrophobicContact CD1-CG1 3.81Å; F183-V454 HydrophobicContact CD1-CG2 3.73Å; F183-V454 HydrophobicContact CD2-CB 4.31Å; F183-V454 HydrophobicContact CD2-CG2 4.1Å; F183-V454 HydrophobicContact CE1-CB 3.93Å; F183-V454 HydrophobicContact CE1-CG1 3.73Å; F183-V454 HydrophobicContact CE1-CG2 4.32Å; F183-V454 HydrophobicContact CE2-CB 4.37Å; F183-V454 HydrophobicContact CG-CB 4.06Å; F183-V454 HydrophobicContact CG-CG1 4.5Å; F183-V454 HydrophobicContact CG-CG2 3.6Å; F183-V454 HydrophobicContact CZ-CB 4.19Å; F183-V454 HydrophobicContact CZ-CG1 4.35Å; F183-Q735 HydrophobicContact CD2-CG 4.41Å; F183-Q735 HydrophobicContact CE2-CG 4.25Å; F183-N738 PolarHBondContact N-OD1 2.86Å
184	F	94.9	Very high	88.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-29.4	179.8	-79.8	-70.7	0	0	0	113.8	L180 T181 V191 Y203 Q204 V207 L254 L258	L180-F184 HydrophobicContact CD1-CD2 4.28Å; L180-F184 HydrophobicContact CD1-CE2 3.75Å; L180-F184 HydrophobicContact CG-CD2 4.2Å; L180-F184 HydrophobicContact CG-CE2 4.04Å; L180-F184 VanDerWaalsContact O-CD2 3.32Å; L180-F184 WeakPolarHBondContact O-CD2 3.5Å; L180-F184 PolarHBondContact O-N 3.38Å; T181-F184 PolarHBondContact O-N 2.98Å; F184-V191 HydrophobicContact CD1-CG1 4.26Å; F184-V191 HydrophobicContact CD1-CG2 3.83Å; F184-V191 HydrophobicContact CE1-CG1 3.98Å; F184-V191 HydrophobicContact CE1-CG2 4.08Å; F184-Y203 HydrophobicContact CD1-CD1 4.44Å; F184-Y203 AromaticContact CD2-CD1 3.74Å; F184-Y203 HydrophobicContact CD2-CD1 3.74Å; F184-Y203 AromaticContact CD2-CE1 3.62Å; F184-Y203 HydrophobicContact CD2-CE1 3.62Å; F184-Y203 HydrophobicContact CE1-CD1 4.18Å; F184-Y203 AromaticContact CE2-CD1 3.44Å; F184-Y203 HydrophobicContact CE2-CD1 3.44Å; F184-Y203 VanDerWaalsContact CE2-CD1 3.44Å; F184-Y203 AromaticContact CE2-CE1 3.49Å; F184-Y203 HydrophobicContact CE2-CE1 3.49Å; F184-Y203 VanDerWaalsContact CE2-CE1 3.49Å; F184-Y203 HydrophobicContact CG-CD1 4.25Å; F184-Y203 HydrophobicContact CG-CE1 4.43Å; F184-Y203 AromaticContact CZ-CD1 3.67Å; F184-Y203 HydrophobicContact CZ-CD1 3.67Å; F184-Y203 HydrophobicContact CZ-CE1 4.21Å; F184-Q204 HydrophobicContact CB-CG 4.31Å; F184-Q204 HydrophobicContact CD1-CB 3.67Å; F184-Q204 HydrophobicContact CD1-CG 3.97Å; F184-Q204 HydrophobicContact CE1-CB 4.28Å; F184-Q204 PolarHBondContact O-NE2 3.29Å; F184-V207 HydrophobicContact CB-CB 4.42Å; F184-V207 HydrophobicContact CB-CG1 4.32Å; F184-L254 HydrophobicContact CZ-CD2 4.42Å; F184-L258 HydrophobicContact CE1-CD1 4.1Å; F184-L258 HydrophobicContact CZ-CD1 3.73Å
185	L	92.3	Very high	87.6	Confident	63 Å²	63	31 Å²	31	33%	0.33	16%	0.162	S	C	.	.	H	α-helix	trans	-82.3	-50.6	176.7	-65.3	172.5	0	0	0	113.1	T181 F183 V207 W211	T181-L185 HydrophobicContact CG2-CD1 3.81Å; T181-L185 WeakPolarHBondContact O-CG 3.47Å; T181-L185 PolarHBondContact O-N 2.92Å; T181-L185 VanDerWaalsContact O-N 3.09Å; F183-L185 VanDerWaalsContact C-N 3.31Å; F183-L185 PolarHBondContact O-N 3.33Å; L185-V207 HydrophobicContact CD1-CG1 4.43Å; L185-V207 HydrophobicContact CD2-CG1 4.12Å; L185-V207 HydrophobicContact CG-CG1 4Å; L185-W211 HydrophobicContact CD1-CB 3.99Å; L185-W211 HydrophobicContact CD1-CG 4.33Å; L185-W211 HydrophobicContact CD2-CB 4.48Å
186	E	89.7	Confident	86.4	Confident	52 Å²	52	40.5 Å²	40.5	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-89.7	-28.6	-172.4	-59	-170.9	156.5	0	0	114.1	Q182 N738 R741	Q182-E186 VanDerWaalsContact O-CB 3.29Å; Q182-E186 WeakPolarHBondContact O-CB 3.4Å; Q182-E186 WeakPolarHBondContact O-CG 3.11Å; Q182-E186 PolarHBondContact O-N 2.96Å; E186-N738 PolarHBondContact OE2-ND2 3.17Å; E186-R741 IonicContact OE1-CZ 2.88Å; E186-R741 IonicContact OE1-NH1 2.7Å; E186-R741 PolarHBondContact OE1-NH1 3Å; E186-R741 IonicContact OE2-NH1 3.15Å; E186-R741 PolarHBondContact OE2-NH1 3.23Å
187	C	87.3	Confident	85.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	22%	0.216	C	C	.	.			trans	-108.4	28.9	-174.6	-53.1	0	0	0	0	112.3	F183 G189 L190	F183-C187 HydrophobicContact CD2-CB 3.71Å; F183-C187 HydrophobicContact CE2-CB 3.88Å; F183-C187 HydrophobicContact CG-CB 4.36Å; F183-C187 CarbonylContact O-C 3.58Å; F183-C187 WeakPolarHBondContact O-CA 3.25Å; F183-C187 VanDerWaalsContact O-CB 3.24Å; F183-C187 WeakPolarHBondContact O-CB 3.48Å; F183-C187 PolarHBondContact O-N 2.96Å; C187-G189 PolarHBondContact O-N 3.28Å; C187-L190 HydrophobicContact CB-CD1 4.29Å; C187-L190 WeakPolarHBondContact O-CB 3.16Å; C187-L190 PolarHBondContact O-N 3.34Å
188	G	80.4	Confident	84.7	Confident	26 Å²	26	43.7 Å²	43.7	27%	0.268	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-55.8	-26.5	-173.8	0	0	0	0	0	115.4	L190 V191	G188-L190 PolarHBondContact O-N 3.44Å; G188-V191 PolarHBondContact O-N 2.8Å; G188-V191 VanDerWaalsContact O-N 3.08Å
189	G	77.9	Confident	84.5	Confident	9 Å²	9	43 Å²	43	9%	0.093	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.3	-17	173.1	0	0	0	0	0	115.1	C187 K192	C187-G189 PolarHBondContact O-N 3.28Å; G189-K192 VanDerWaalsContact O-CD 3.28Å; G189-K192 WeakPolarHBondContact O-CD 3.45Å; G189-K192 WeakPolarHBondContact O-CE 3.43Å; G189-K192 PolarHBondContact O-NZ 3.01Å
190	L	82.2	Confident	84.4	Confident	27 Å²	27	43 Å²	43	14%	0.141	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-89.4	-11.6	173	-67	175.5	0	0	0	113.1	F183 C187 G188 K192 Q735 L773	F183-L190 HydrophobicContact CE2-CB 4.37Å; F183-L190 HydrophobicContact CE2-CD1 4.03Å; F183-L190 HydrophobicContact CZ-CB 4.14Å; C187-L190 HydrophobicContact CB-CD1 4.29Å; C187-L190 WeakPolarHBondContact O-CB 3.16Å; C187-L190 PolarHBondContact O-N 3.34Å; G188-L190 PolarHBondContact O-N 3.44Å; L190-K192 PolarHBondContact O-N 3.4Å; L190-Q735 HydrophobicContact CD1-CB 4Å; L190-Q735 HydrophobicContact CD1-CG 4.08Å; L190-L773 HydrophobicContact CD2-CD2 3.6Å; L190-L773 HydrophobicContact CG-CD2 3.94Å
191	V	84	Confident	84.2	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	24%	0.238	C	C	.	.			trans	-81.6	61.1	-177.5	-169.1	0	0	0	0	110.5	F183 F184 G188 C200 K201 Q204 L258	F183-V191 HydrophobicContact CE1-CG2 4.17Å; F184-V191 HydrophobicContact CD1-CG1 4.26Å; F184-V191 HydrophobicContact CD1-CG2 3.83Å; F184-V191 HydrophobicContact CE1-CG1 3.98Å; F184-V191 HydrophobicContact CE1-CG2 4.08Å; G188-V191 PolarHBondContact O-N 2.8Å; G188-V191 VanDerWaalsContact O-N 3.08Å; V191-C200 HydrophobicContact CG1-CB 4.13Å; V191-K201 HydrophobicContact CG1-CG 4.26Å; V191-K201 VanDerWaalsContact O-CE 3.24Å; V191-K201 WeakPolarHBondContact O-CE 3.49Å; V191-Q204 HydrophobicContact CG1-CB 4.22Å; V191-L258 HydrophobicContact CG1-CD2 4.39Å
192	K	75.8	Confident	84.1	Confident	96 Å²	96	48.2 Å²	48.2	42%	0.417	25%	0.247	S	C	.	.			trans	-113.9	117.8	-174.7	-74.5	172.4	177.2	141.3	0	110.3	G189 L190	G189-K192 VanDerWaalsContact O-CD 3.28Å; G189-K192 WeakPolarHBondContact O-CD 3.45Å; G189-K192 WeakPolarHBondContact O-CE 3.43Å; G189-K192 PolarHBondContact O-NZ 3.01Å; L190-K192 PolarHBondContact O-N 3.4Å
193	T	76.1	Confident	84.2	Confident	11 Å²	11	45.7 Å²	45.7	7%	0.067	24%	0.235	C	C	.	.			trans	-142	139.4	170.4	-174.2	0	0	0	0	109.5	K195 A198 C200 K201	T193-K195 WeakPolarHBondContact OG1-CB 3.47Å; T193-K195 PolarHBondContact OG1-N 3.11Å; T193-A198 HydrophobicContact CG2-CB 3.59Å; T193-C200 WeakPolarHBondContact CG2-SG 3.5Å; T193-K201 HydrophobicContact CG2-CD 4.45Å; T193-K201 PolarHBondContact O-NZ 2.98Å
194	D	67.9	Low	84.2	Confident	160 Å²	160	47 Å²	47	86%	0.856	24%	0.242	S	C	*	.			trans	-101.5	-6.8	171.9	-56.7	-52.6	0	0	0	111.6
195	K	69.9	Low	84.1	Confident	109 Å²	109	52.2 Å²	52.2	47%	0.474	26%	0.264	S	S	.	.	S	Bend	trans	-64.5	142.5	171.6	-57	179.5	-177.3	179	0	109.4	T193 E256	T193-K195 WeakPolarHBondContact OG1-CB 3.47Å; T193-K195 PolarHBondContact OG1-N 3.11Å; K195-E256 PolarHBondContact NZ-O 3.38Å
196	K	72	Confident	84.2	Confident	200 Å²	200	49.6 Å²	49.6	87%	0.87	25%	0.251	S	S	*	.	S	Bend	trans	-117.6	139.4	174	-70.3	-179	-179	174.8	0	110.3
197	P	69.4	Low	84.5	Confident	48 Å²	48	47.1 Å²	47.1	31%	0.312	24%	0.239	S	C	.	.	S	Bend	cis	-71.1	142.3	-6.2	32.3	-35.1	0	0	0	111.2	L199 A230 I231	P197-L199 PolarHBondContact O-N 2.86Å; P197-L199 VanDerWaalsContact O-N 3.08Å; P197-A230 HydrophobicContact CG-CB 4.25Å; P197-I231 HydrophobicContact CG-CD1 3.73Å; P197-I231 HydrophobicContact CG-CG1 3.57Å
198	A	86.3	Confident	84.8	Confident	25 Å²	25	49.3 Å²	49.3	21%	0.207	26%	0.255	C	S	.	.			trans	-82.2	84.2	178.7	0	0	0	0	0	110	T193 K201 S202	T193-A198 HydrophobicContact CG2-CB 3.59Å; A198-K201 HydrophobicContact CB-CB 4.28Å; A198-K201 HydrophobicContact CB-CD 4.08Å; A198-K201 HydrophobicContact CB-CG 4.45Å; A198-S202 PolarHBondContact O-N 3.18Å; A198-S202 PolarHBondContact O-OG 3.41Å
199	L	91.4	Very high	85.4	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-69.4	-36.3	-176.3	-161.5	71.2	0	0	0	111.9	P197 K201 S202 Y203 L224 I228 I231 L250 Q253 E257	P197-L199 PolarHBondContact O-N 2.86Å; P197-L199 VanDerWaalsContact O-N 3.08Å; L199-K201 VanDerWaalsContact C-N 3.35Å; L199-K201 PolarHBondContact O-N 3.2Å; L199-S202 CarbonylContact O-C 3.6Å; L199-S202 WeakPolarHBondContact O-CA 3.46Å; L199-S202 WeakPolarHBondContact O-CB 3.36Å; L199-S202 PolarHBondContact O-N 3.28Å; L199-Y203 PolarHBondContact O-N 3.43Å; L199-L224 HydrophobicContact CD1-CD1 3.56Å; L199-L224 HydrophobicContact CD1-CG 4.39Å; L199-L224 HydrophobicContact CG-CD1 3.92Å; L199-I228 HydrophobicContact CD1-CG1 3.65Å; L199-I228 HydrophobicContact CD2-CG1 3.95Å; L199-I228 HydrophobicContact CG-CG1 4.45Å; L199-I231 HydrophobicContact CB-CD1 4.28Å; L199-I231 HydrophobicContact CD1-CD1 4.41Å; L199-I231 HydrophobicContact CD2-CD1 4.1Å; L199-L250 HydrophobicContact CD2-CD1 3.63Å; L199-L250 HydrophobicContact CG-CD1 4.43Å; L199-Q253 HydrophobicContact CB-CG 4.19Å; L199-Q253 HydrophobicContact CD2-CB 4.09Å; L199-Q253 HydrophobicContact CD2-CG 3.64Å; L199-E257 WeakPolarHBondContact CB-OE1 3.38Å; L199-E257 PolarHBondContact N-OE1 3.32Å; L199-E257 VanDerWaalsContact N-OE1 3.1Å; L199-E257 PolarHBondContact N-OE2 2.74Å
200	C	93.1	Very high	86.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-39.8	179.5	71.4	0	0	0	0	112.6	V191 T193 S202 Y203 Q204 L254 E257 L258	V191-C200 HydrophobicContact CG1-CB 4.13Å; T193-C200 WeakPolarHBondContact CG2-SG 3.5Å; C200-S202 VanDerWaalsContact C-N 3.33Å; C200-Y203 PolarHBondContact O-N 3.47Å; C200-Q204 WeakPolarHBondContact O-CB 3.48Å; C200-Q204 PolarHBondContact O-N 3.33Å; C200-L254 HydrophobicContact CB-CD2 3.83Å; C200-E257 HydrophobicContact CB-CB 4.26Å; C200-E257 PolarHBondContact N-OE2 3.12Å; C200-E257 PolarHBondContact SG-OE2 3.21Å; C200-L258 HydrophobicContact CB-CD1 3.98Å; C200-L258 HydrophobicContact CB-CD2 3.8Å; C200-L258 HydrophobicContact CB-CG 3.85Å
201	K	92.6	Very high	86.6	Confident	84 Å²	84	49.9 Å²	49.9	37%	0.365	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-32.5	173.6	-68.9	174.9	177	166.5	0	112.1	V191 T193 A198 L199 K205	V191-K201 HydrophobicContact CG1-CG 4.26Å; V191-K201 VanDerWaalsContact O-CE 3.24Å; V191-K201 WeakPolarHBondContact O-CE 3.49Å; T193-K201 HydrophobicContact CG2-CD 4.45Å; T193-K201 PolarHBondContact O-NZ 2.98Å; A198-K201 HydrophobicContact CB-CB 4.28Å; A198-K201 HydrophobicContact CB-CD 4.08Å; A198-K201 HydrophobicContact CB-CG 4.45Å; L199-K201 VanDerWaalsContact C-N 3.35Å; L199-K201 PolarHBondContact O-N 3.2Å; K201-K205 PolarHBondContact O-N 2.89Å; K201-K205 VanDerWaalsContact O-N 3.11Å
202	S	94	Very high	86.8	Confident	29 Å²	29	54.6 Å²	54.6	20%	0.203	27%	0.269	C	S	.	.	H	α-helix	trans	-73.3	-36.8	176.9	-57.4	0	0	0	0	112	A198 L199 C200 L206	A198-S202 PolarHBondContact O-N 3.18Å; A198-S202 PolarHBondContact O-OG 3.41Å; L199-S202 CarbonylContact O-C 3.6Å; L199-S202 WeakPolarHBondContact O-CA 3.46Å; L199-S202 WeakPolarHBondContact O-CB 3.36Å; L199-S202 PolarHBondContact O-N 3.28Å; C200-S202 VanDerWaalsContact C-N 3.33Å; S202-L206 PolarHBondContact O-N 2.99Å
203	Y	95.6	Very high	87.2	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-71.8	-43	173.5	-176.3	-99.1	0	0	0	111.3	L171 L174 L180 F184 L199 C200 K205 L206 V207 L224 L254	L171-Y203 HydrophobicContact CD2-CD2 4.11Å; L171-Y203 HydrophobicContact CD2-CE2 3.86Å; L174-Y203 WeakPolarHBondContact CB-OH 3.2Å; L180-Y203 HydrophobicContact CD2-CE1 4.22Å; L180-Y203 HydrophobicContact CG-CE1 4.49Å; F184-Y203 HydrophobicContact CD1-CD1 4.44Å; F184-Y203 AromaticContact CD2-CD1 3.74Å; F184-Y203 HydrophobicContact CD2-CD1 3.74Å; F184-Y203 AromaticContact CD2-CE1 3.62Å; F184-Y203 HydrophobicContact CD2-CE1 3.62Å; F184-Y203 HydrophobicContact CE1-CD1 4.18Å; F184-Y203 AromaticContact CE2-CD1 3.44Å; F184-Y203 HydrophobicContact CE2-CD1 3.44Å; F184-Y203 VanDerWaalsContact CE2-CD1 3.44Å; F184-Y203 AromaticContact CE2-CE1 3.49Å; F184-Y203 HydrophobicContact CE2-CE1 3.49Å; F184-Y203 VanDerWaalsContact CE2-CE1 3.49Å; F184-Y203 HydrophobicContact CG-CD1 4.25Å; F184-Y203 HydrophobicContact CG-CE1 4.43Å; F184-Y203 AromaticContact CZ-CD1 3.67Å; F184-Y203 HydrophobicContact CZ-CD1 3.67Å; F184-Y203 HydrophobicContact CZ-CE1 4.21Å; L199-Y203 PolarHBondContact O-N 3.43Å; C200-Y203 PolarHBondContact O-N 3.47Å; Y203-K205 VanDerWaalsContact C-N 3.34Å; Y203-K205 PolarHBondContact O-N 2.97Å; Y203-L206 WeakPolarHBondContact O-CA 3.44Å; Y203-L206 WeakPolarHBondContact O-CB 3.28Å; Y203-L206 PolarHBondContact O-N 3.2Å; Y203-V207 HydrophobicContact CD1-CG2 3.96Å; Y203-V207 HydrophobicContact CE1-CG2 3.49Å; Y203-V207 VanDerWaalsContact CE1-CG2 3.49Å; Y203-V207 HydrophobicContact CE2-CG2 4.36Å; Y203-V207 WeakPolarHBondContact O-CG2 3.42Å; Y203-V207 PolarHBondContact O-N 2.9Å; Y203-L224 HydrophobicContact CD2-CD2 4.17Å; Y203-L254 HydrophobicContact CD1-CD1 4.35Å; Y203-L254 HydrophobicContact CG-CD1 4.37Å
204	Q	95	Very high	87.5	Confident	40 Å²	40	60.2 Å²	60.2	19%	0.187	30%	0.299	C	S	.	.	H	α-helix	trans	-52.9	-50.1	172.7	-173.1	-176	23.8	0	0	111.7	F184 V191 C200 L206 V207 S208	F184-Q204 HydrophobicContact CB-CG 4.31Å; F184-Q204 HydrophobicContact CD1-CB 3.67Å; F184-Q204 HydrophobicContact CD1-CG 3.97Å; F184-Q204 HydrophobicContact CE1-CB 4.28Å; F184-Q204 PolarHBondContact O-NE2 3.29Å; V191-Q204 HydrophobicContact CG1-CB 4.22Å; C200-Q204 WeakPolarHBondContact O-CB 3.48Å; C200-Q204 PolarHBondContact O-N 3.33Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.04Å; Q204-V207 PolarHBondContact O-N 3.43Å; Q204-S208 PolarHBondContact O-N 3.38Å; Q204-S208 PolarHBondContact O-OG 3.46Å
205	K	93.7	Very high	88	Confident	108 Å²	108	55.6 Å²	55.6	47%	0.47	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-40.9	176.6	174.9	160.9	170.7	51.5	0	111.9	K201 Y203 S208 D209	K201-K205 PolarHBondContact O-N 2.89Å; K201-K205 VanDerWaalsContact O-N 3.11Å; Y203-K205 VanDerWaalsContact C-N 3.34Å; Y203-K205 PolarHBondContact O-N 2.97Å; K205-S208 PolarHBondContact O-N 3.43Å; K205-D209 WeakPolarHBondContact CE-OD2 3.43Å; K205-D209 IonicContact NZ-OD1 3.73Å; K205-D209 PolarHBondContact NZ-OD1 2.98Å; K205-D209 IonicContact NZ-OD2 2.75Å; K205-D209 PolarHBondContact NZ-OD2 2.58Å; K205-D209 WeakPolarHBondContact O-CB 3.33Å; K205-D209 PolarHBondContact O-N 3.18Å
206	L	94.8	Very high	88.6	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-45.2	176.8	-178.9	57.8	0	0	0	112	L158 L171 S202 Y203 Q204 S208 D209 L210 V219 P221 L224	L158-L206 HydrophobicContact CD2-CD1 3.9Å; L171-L206 HydrophobicContact CD1-CD2 4.13Å; L171-L206 HydrophobicContact CD2-CD2 4.35Å; S202-L206 PolarHBondContact O-N 2.99Å; Y203-L206 WeakPolarHBondContact O-CA 3.44Å; Y203-L206 WeakPolarHBondContact O-CB 3.28Å; Y203-L206 PolarHBondContact O-N 3.2Å; Q204-L206 VanDerWaalsContact C-N 3.29Å; Q204-L206 PolarHBondContact O-N 3.04Å; L206-S208 PolarHBondContact O-N 3.39Å; L206-D209 PolarHBondContact O-N 2.93Å; L206-L210 HydrophobicContact CD1-CD1 4.14Å; L206-L210 HydrophobicContact CD1-CG 4.07Å; L206-L210 HydrophobicContact CG-CD1 4.01Å; L206-L210 HydrophobicContact CG-CG 4.37Å; L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.35Å; L206-L210 PolarHBondContact O-N 3.03Å; L206-V219 HydrophobicContact CD1-CB 4.44Å; L206-V219 HydrophobicContact CD1-CG1 3.63Å; L206-P221 HydrophobicContact CD1-CB 3.79Å; L206-P221 HydrophobicContact CD2-CB 3.74Å; L206-P221 HydrophobicContact CD2-CG 4.44Å; L206-P221 HydrophobicContact CG-CB 4.33Å; L206-L224 HydrophobicContact CD2-CD2 3.67Å
207	V	94.9	Very high	89.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-44.8	177	175.3	0	0	0	0	110.6	T181 F184 L185 Y203 Q204 D209 L210 W211	T181-V207 HydrophobicContact CG2-CG1 3.84Å; F184-V207 HydrophobicContact CB-CB 4.42Å; F184-V207 HydrophobicContact CB-CG1 4.32Å; L185-V207 HydrophobicContact CD1-CG1 4.43Å; L185-V207 HydrophobicContact CD2-CG1 4.12Å; L185-V207 HydrophobicContact CG-CG1 4Å; Y203-V207 HydrophobicContact CD1-CG2 3.96Å; Y203-V207 HydrophobicContact CE1-CG2 3.49Å; Y203-V207 VanDerWaalsContact CE1-CG2 3.49Å; Y203-V207 HydrophobicContact CE2-CG2 4.36Å; Y203-V207 WeakPolarHBondContact O-CG2 3.42Å; Y203-V207 PolarHBondContact O-N 2.9Å; Q204-V207 PolarHBondContact O-N 3.43Å; V207-D209 PolarHBondContact O-N 3.27Å; V207-L210 PolarHBondContact O-N 3.16Å; V207-W211 WeakPolarHBondContact O-CB 3.44Å; V207-W211 PolarHBondContact O-N 2.97Å
208	S	93.3	Very high	90.4	Very high	47 Å²	47	50.6 Å²	50.6	33%	0.329	26%	0.259	S	S	.	.	H	α-helix	trans	-61.2	-41	174.6	-60.5	0	0	0	0	113	Q204 K205 L206 H212	Q204-S208 PolarHBondContact O-N 3.38Å; Q204-S208 PolarHBondContact O-OG 3.46Å; K205-S208 PolarHBondContact O-N 3.43Å; L206-S208 PolarHBondContact O-N 3.39Å; S208-H212 WeakPolarHBondContact O-CB 3.41Å; S208-H212 PolarHBondContact O-N 2.94Å; S208-H212 VanDerWaalsContact O-N 3.11Å
209	D	92.8	Very high	90.8	Very high	52 Å²	52	50 Å²	50	28%	0.278	25%	0.254	S	S	.	.	H	α-helix	trans	-69.3	-33.2	178.8	-68.7	-12	0	0	0	112.3	K205 L206 V207 V219	K205-D209 WeakPolarHBondContact CE-OD2 3.43Å; K205-D209 IonicContact NZ-OD1 3.73Å; K205-D209 PolarHBondContact NZ-OD1 2.98Å; K205-D209 IonicContact NZ-OD2 2.75Å; K205-D209 PolarHBondContact NZ-OD2 2.58Å; K205-D209 WeakPolarHBondContact O-CB 3.33Å; K205-D209 PolarHBondContact O-N 3.18Å; L206-D209 PolarHBondContact O-N 2.93Å; V207-D209 PolarHBondContact O-N 3.27Å; D209-V219 HydrophobicContact CB-CG1 4.38Å; D209-V219 HydrophobicContact CB-CG2 4.12Å
210	L	93.3	Very high	90.8	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-77.3	-38.7	177.2	-72.4	176.4	0	0	0	113.4	G154 T156 L158 L206 V207 R215 V219	G154-L210 WeakPolarHBondContact CA-O 3.2Å; G154-L210 PolarHBondContact N-O 2.92Å; T156-L210 HydrophobicContact CG2-CD2 3.63Å; L158-L210 HydrophobicContact CD2-CD1 4.35Å; L158-L210 HydrophobicContact CD2-CD2 3.9Å; L206-L210 HydrophobicContact CD1-CD1 4.14Å; L206-L210 HydrophobicContact CD1-CG 4.07Å; L206-L210 HydrophobicContact CG-CD1 4.01Å; L206-L210 HydrophobicContact CG-CG 4.37Å; L206-L210 WeakPolarHBondContact O-CB 3.38Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.35Å; L206-L210 PolarHBondContact O-N 3.03Å; V207-L210 PolarHBondContact O-N 3.16Å; L210-R215 WeakPolarHBondContact O-CD 3.44Å; L210-V219 HydrophobicContact CD2-CB 4.34Å; L210-V219 HydrophobicContact CD2-CG2 4.26Å
211	W	92.3	Very high	90.6	Very high	21 Å²	21	53.2 Å²	53.2	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-96.1	6.2	-176.4	-71.5	83.5	0	0	0	113.9	R153 S175 T181 L185 V207	R153-W211 HydrophobicContact CB-CE3 3.81Å; R153-W211 HydrophobicContact CB-CZ3 4.29Å; R153-W211 VanDerWaalsContact O-CZ3 3.31Å; R153-W211 WeakPolarHBondContact O-CZ3 3.44Å; S175-W211 WeakPolarHBondContact O-CZ2 3.38Å; S175-W211 PolarHBondContact O-NE1 2.7Å; S175-W211 VanDerWaalsContact O-NE1 3.16Å; S175-W211 PolarHBondContact OG-NE1 2.85Å; T181-W211 HydrophobicContact CG2-CD2 4.02Å; T181-W211 HydrophobicContact CG2-CG 4.09Å; T181-W211 HydrophobicContact CG2-CZ2 4.39Å; L185-W211 HydrophobicContact CD1-CB 3.99Å; L185-W211 HydrophobicContact CD1-CG 4.33Å; L185-W211 HydrophobicContact CD2-CB 4.48Å; V207-W211 WeakPolarHBondContact O-CB 3.44Å; V207-W211 PolarHBondContact O-N 2.97Å
212	H	89.4	Confident	90.3	Very high	102 Å²	102	52 Å²	52	47%	0.472	27%	0.273	S	S	.	.			trans	-58.5	151.5	176.7	-159.8	-124.9	0	0	0	112.7	S208 N214 R215	S208-H212 WeakPolarHBondContact O-CB 3.41Å; S208-H212 PolarHBondContact O-N 2.94Å; S208-H212 VanDerWaalsContact O-N 3.11Å; H212-N214 VanDerWaalsContact ND1-C 3.28Å; H212-N214 PolarHBondContact ND1-N 2.88Å; H212-N214 PolarHBondContact ND1-O 3.3Å; H212-R215 HydrophobicContact CB-CB 4.11Å; H212-R215 WeakPolarHBondContact O-CB 3.25Å
213	K	82.8	Confident	89.9	Confident	99 Å²	99	55.3 Å²	55.3	43%	0.43	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-63.1	169.8	-74.2	-177.9	163.8	-136.4	0	109.7	D148 R215	D148-K213 WeakPolarHBondContact OD2-CD 3.16Å; D148-K213 WeakPolarHBondContact OD2-CE 3.43Å; D148-K213 IonicContact OD2-NZ 2.82Å; D148-K213 PolarHBondContact OD2-NZ 3.37Å; K213-R215 VanDerWaalsContact C-N 3.27Å; K213-R215 PolarHBondContact O-N 3.31Å
214	N	82.9	Confident	89.6	Confident	126 Å²	126	55.4 Å²	55.4	67%	0.674	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	64.7	177.2	-63	-12.4	0	0	0	110	H212	H212-N214 VanDerWaalsContact ND1-C 3.28Å; H212-N214 PolarHBondContact ND1-N 2.88Å; H212-N214 PolarHBondContact ND1-O 3.3Å
215	R	77.8	Confident	89.2	Confident	63 Å²	63	54.2 Å²	54.2	24%	0.238	28%	0.283	C	S	.	.			trans	-86.6	147.7	179.7	65.9	-169.4	-168.6	-91.6	-1.7	111.8	A152 L155 T156 L210 H212 K213	A152-R215 PolarHBondContact O-NH1 3.41Å; A152-R215 PolarHBondContact O-NH2 3.21Å; L155-R215 PolarHBondContact O-NE 2.86Å; L155-R215 PolarHBondContact O-NH2 3.2Å; T156-R215 WeakPolarHBondContact OG1-CD 3.41Å; T156-R215 VanDerWaalsContact OG1-CG 3.31Å; T156-R215 WeakPolarHBondContact OG1-CG 3.37Å; T156-R215 PolarHBondContact OG1-NE 3.35Å; L210-R215 WeakPolarHBondContact O-CD 3.44Å; H212-R215 HydrophobicContact CB-CB 4.11Å; H212-R215 WeakPolarHBondContact O-CB 3.25Å; K213-R215 VanDerWaalsContact C-N 3.27Å; K213-R215 PolarHBondContact O-N 3.31Å
216	P	83.3	Confident	88.9	Confident	68 Å²	68	55.1 Å²	55.1	44%	0.442	29%	0.289	S	S	.	.			trans	-71.8	166.9	169.9	33.4	-36.6	0	0	0	111.1	T156 Y218 V219	T156-P216 WeakPolarHBondContact CG2-O 3.34Å; T156-P216 PolarHBondContact OG1-O 3.06Å; P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 WeakPolarHBondContact CB-O 3.37Å; P216-Y218 VanDerWaalsContact CG-O 3.28Å; P216-Y218 WeakPolarHBondContact CG-O 3.25Å; P216-Y218 PolarHBondContact O-N 2.96Å; P216-V219 HydrophobicContact CG-CG2 3.77Å
217	S	86.1	Confident	88.6	Confident	91 Å²	91	55 Å²	55	64%	0.636	29%	0.289	S	S	*	.	S	Bend	trans	-65.4	-30.2	172.9	52.4	0	0	0	0	113	G157	G157-S217 PolarHBondContact N-O 2.65Å
218	Y	92.4	Very high	88.3	Confident	93 Å²	93	55.3 Å²	55.3	37%	0.365	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154	170.8	68.7	-92.9	0	0	0	112.3	G157 K159 P216 V220 Q682	G157-Y218 CarbonylContact O-C 3.51Å; G157-Y218 WeakPolarHBondContact O-CA 3.35Å; K159-Y218 HydrophobicContact CB-CD2 3.87Å; K159-Y218 HydrophobicContact CB-CE2 4.24Å; K159-Y218 HydrophobicContact CD-CD2 4.33Å; K159-Y218 HydrophobicContact CD-CE2 3.85Å; P216-Y218 VanDerWaalsContact C-N 3.27Å; P216-Y218 WeakPolarHBondContact CB-O 3.37Å; P216-Y218 VanDerWaalsContact CG-O 3.28Å; P216-Y218 WeakPolarHBondContact CG-O 3.25Å; P216-Y218 PolarHBondContact O-N 2.96Å; Y218-V220 HydrophobicContact CD2-CG2 4.3Å; Y218-V220 HydrophobicContact CE2-CG2 4.09Å; Y218-Q682 HydrophobicContact CG-CB 4.27Å
219	V	94.4	Very high	87.8	Confident	14 Å²	14	55.5 Å²	55.5	9%	0.085	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.8	172.8	170.9	0	0	0	0	110	T156 G157 L158 K159 L206 D209 L210 P216	T156-V219 HydrophobicContact CG2-CB 4.46Å; T156-V219 HydrophobicContact CG2-CG2 3.81Å; G157-V219 PolarHBondContact O-N 3.35Å; L158-V219 HydrophobicContact CD2-CB 4.22Å; K159-V219 PolarHBondContact N-O 3.05Å; L206-V219 HydrophobicContact CD1-CB 4.44Å; L206-V219 HydrophobicContact CD1-CG1 3.63Å; D209-V219 HydrophobicContact CB-CG1 4.38Å; D209-V219 HydrophobicContact CB-CG2 4.12Å; L210-V219 HydrophobicContact CD2-CB 4.34Å; L210-V219 HydrophobicContact CD2-CG2 4.26Å; P216-V219 HydrophobicContact CG-CG2 3.77Å
220	V	92.6	Very high	87.5	Confident	61 Å²	61	55.6 Å²	55.6	37%	0.37	29%	0.294	S	S	.	.			trans	-116.9	102	172.4	-167.5	0	0	0	0	108.3	K159 I161 Y218 T222	K159-V220 HydrophobicContact CB-CG2 3.97Å; K159-V220 HydrophobicContact CD-CG2 4.08Å; I161-V220 HydrophobicContact CD1-CG1 3.65Å; I161-V220 HydrophobicContact CG1-CG1 4.46Å; Y218-V220 HydrophobicContact CD2-CG2 4.3Å; Y218-V220 HydrophobicContact CE2-CG2 4.09Å; V220-T222 PolarHBondContact O-N 3.39Å; V220-T222 PolarHBondContact O-OG1 2.81Å
221	P	88.2	Confident	87.2	Confident	7 Å²	7	58 Å²	58	5%	0.045	31%	0.306	C	S	.	.			trans	-78.5	49.3	-171.4	28	-31.3	0	0	0	114.1	L158 L206 N223 L224 F225	L158-P221 HydrophobicContact CD2-CG 4.11Å; L206-P221 HydrophobicContact CD1-CB 3.79Å; L206-P221 HydrophobicContact CD2-CB 3.74Å; L206-P221 HydrophobicContact CD2-CG 4.44Å; L206-P221 HydrophobicContact CG-CB 4.33Å; P221-N223 PolarHBondContact O-N 3.41Å; P221-L224 HydrophobicContact CB-CB 4.35Å; P221-L224 PolarHBondContact O-N 3.14Å; P221-L224 VanDerWaalsContact O-N 3.1Å; P221-F225 HydrophobicContact CB-CD2 4.48Å; P221-F225 HydrophobicContact CB-CE2 4.44Å; P221-F225 HydrophobicContact CG-CD2 3.95Å; P221-F225 HydrophobicContact CG-CE2 3.47Å; P221-F225 VanDerWaalsContact CG-CE2 3.47Å; P221-F225 HydrophobicContact CG-CZ 4.04Å; P221-F225 WeakPolarHBondContact O-CD2 3.41Å; P221-F225 PolarHBondContact O-N 3.29Å
222	T	86.3	Confident	86.8	Confident	60 Å²	60	58.9 Å²	58.9	37%	0.368	31%	0.312	S	S	.	.	H	α-helix	trans	-50.8	-47.9	-173	-54.4	0	0	0	0	113.7	V220 L224 F225 Q226	V220-T222 PolarHBondContact O-N 3.39Å; V220-T222 PolarHBondContact O-OG1 2.81Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 2.97Å; T222-F225 PolarHBondContact O-N 2.81Å; T222-Q226 WeakPolarHBondContact O-CB 3.35Å; T222-Q226 VanDerWaalsContact O-CG 3.32Å; T222-Q226 WeakPolarHBondContact O-CG 3.35Å; T222-Q226 PolarHBondContact O-N 2.92Å
223	N	87.1	Confident	86.5	Confident	97 Å²	97	57.9 Å²	57.9	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-38.7	-177.7	-64.7	3.3	0	0	0	111.7	P221 Q226 G227	P221-N223 PolarHBondContact O-N 3.41Å; N223-Q226 PolarHBondContact O-N 3.02Å; N223-G227 PolarHBondContact O-N 3.38Å
224	L	88.8	Confident	86.6	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-68	-47.8	177.9	-169.4	73.4	0	0	0	110.6	L171 L199 Y203 L206 P221 T222 Q226 G227 I228	L171-L224 HydrophobicContact CD1-CD2 3.87Å; L171-L224 HydrophobicContact CD2-CD2 3.57Å; L171-L224 HydrophobicContact CG-CD2 4.4Å; L199-L224 HydrophobicContact CD1-CD1 3.56Å; L199-L224 HydrophobicContact CD1-CG 4.39Å; L199-L224 HydrophobicContact CG-CD1 3.92Å; Y203-L224 HydrophobicContact CD2-CD2 4.17Å; L206-L224 HydrophobicContact CD2-CD2 3.67Å; P221-L224 HydrophobicContact CB-CB 4.35Å; P221-L224 PolarHBondContact O-N 3.14Å; P221-L224 VanDerWaalsContact O-N 3.1Å; T222-L224 VanDerWaalsContact C-N 3.34Å; T222-L224 PolarHBondContact O-N 2.97Å; L224-Q226 VanDerWaalsContact C-N 3.3Å; L224-Q226 PolarHBondContact O-N 2.89Å; L224-G227 PolarHBondContact O-N 2.82Å; L224-I228 HydrophobicContact CG-CD1 4.13Å; L224-I228 WeakPolarHBondContact O-CG1 3.38Å; L224-I228 PolarHBondContact O-N 3.1Å
225	F	87	Confident	86.6	Confident	16 Å²	16	50.5 Å²	50.5	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-54.6	-45.1	173.3	-76.8	-57.4	0	0	0	112	I161 T164 M167 P221 T222 I228 K229	I161-F225 HydrophobicContact CD1-CD2 3.56Å; I161-F225 HydrophobicContact CD1-CE2 3.36Å; I161-F225 HydrophobicContact CD1-CZ 4.37Å; I161-F225 HydrophobicContact CG1-CD2 4.46Å; I161-F225 HydrophobicContact CG1-CE2 3.86Å; I161-F225 HydrophobicContact CG1-CZ 4.46Å; T164-F225 HydrophobicContact CG2-CD1 4.49Å; T164-F225 HydrophobicContact CG2-CE1 3.7Å; T164-F225 HydrophobicContact CG2-CZ 3.73Å; M167-F225 HydrophobicContact CB-CE1 3.98Å; M167-F225 HydrophobicContact CG-CE1 4.16Å; M167-F225 HydrophobicContact SD-CD1 3.47Å; M167-F225 WeakPolarHBondContact SD-CD1 3.32Å; M167-F225 HydrophobicContact SD-CE1 3.4Å; M167-F225 WeakPolarHBondContact SD-CE1 3.14Å; P221-F225 HydrophobicContact CB-CD2 4.48Å; P221-F225 HydrophobicContact CB-CE2 4.44Å; P221-F225 HydrophobicContact CG-CD2 3.95Å; P221-F225 HydrophobicContact CG-CE2 3.47Å; P221-F225 VanDerWaalsContact CG-CE2 3.47Å; P221-F225 HydrophobicContact CG-CZ 4.04Å; P221-F225 WeakPolarHBondContact O-CD2 3.41Å; P221-F225 PolarHBondContact O-N 3.29Å; T222-F225 PolarHBondContact O-N 2.81Å; F225-I228 PolarHBondContact O-N 2.94Å; F225-K229 WeakPolarHBondContact O-CB 3.21Å; F225-K229 VanDerWaalsContact O-CG 3.24Å; F225-K229 WeakPolarHBondContact O-CG 3.43Å; F225-K229 PolarHBondContact O-N 3.27Å
226	Q	86.6	Confident	86.7	Confident	127 Å²	127	53.9 Å²	53.9	59%	0.593	29%	0.291	S	S	*	.	H	α-helix	trans	-64.8	-41.1	178.6	-73.5	177	5.5	0	0	112.3	T222 N223 L224 A230	T222-Q226 WeakPolarHBondContact O-CB 3.35Å; T222-Q226 VanDerWaalsContact O-CG 3.32Å; T222-Q226 WeakPolarHBondContact O-CG 3.35Å; T222-Q226 PolarHBondContact O-N 2.92Å; N223-Q226 PolarHBondContact O-N 3.02Å; L224-Q226 VanDerWaalsContact C-N 3.3Å; L224-Q226 PolarHBondContact O-N 2.89Å; Q226-A230 WeakPolarHBondContact O-CB 3.04Å; Q226-A230 PolarHBondContact O-N 3.21Å
227	G	87.9	Confident	86.1	Confident	5 Å²	5	52.4 Å²	52.4	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-51.7	174.3	0	0	0	0	0	112.4	N223 L224 K229 A230 I231	N223-G227 PolarHBondContact O-N 3.38Å; L224-G227 PolarHBondContact O-N 2.82Å; G227-K229 VanDerWaalsContact C-N 3.35Å; G227-K229 PolarHBondContact O-N 3.28Å; G227-A230 WeakPolarHBondContact O-CB 3.38Å; G227-A230 PolarHBondContact O-N 3.28Å; G227-A230 VanDerWaalsContact O-N 3.09Å; G227-I231 WeakPolarHBondContact O-CD1 3.27Å; G227-I231 WeakPolarHBondContact O-CG1 3.29Å; G227-I231 PolarHBondContact O-N 2.73Å
228	I	88.5	Confident	85.7	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-42.6	-179.6	-63.3	179.7	0	0	0	111.1	M167 L199 L224 F225 A230 I231 N232 F235 F246 L250	M167-I228 HydrophobicContact CE-CG2 4.08Å; L199-I228 HydrophobicContact CD1-CG1 3.65Å; L199-I228 HydrophobicContact CD2-CG1 3.95Å; L199-I228 HydrophobicContact CG-CG1 4.45Å; L224-I228 HydrophobicContact CG-CD1 4.13Å; L224-I228 WeakPolarHBondContact O-CG1 3.38Å; L224-I228 PolarHBondContact O-N 3.1Å; F225-I228 PolarHBondContact O-N 2.94Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 3.45Å; I228-I231 PolarHBondContact O-N 3.18Å; I228-N232 PolarHBondContact O-N 3.03Å; I228-F235 HydrophobicContact CG2-CB 4.16Å; I228-F235 HydrophobicContact CG2-CD2 3.44Å; I228-F235 VanDerWaalsContact CG2-CD2 3.44Å; I228-F235 HydrophobicContact CG2-CE2 4.19Å; I228-F235 HydrophobicContact CG2-CG 4.06Å; I228-F246 HydrophobicContact CD1-CE2 3.48Å; I228-F246 VanDerWaalsContact CD1-CE2 3.48Å; I228-F246 HydrophobicContact CD1-CZ 3.76Å; I228-F246 HydrophobicContact CG2-CE2 4.22Å; I228-L250 HydrophobicContact CD1-CD1 4.15Å
229	K	84.6	Confident	85.1	Confident	51 Å²	51	54.5 Å²	54.5	22%	0.222	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-30.8	175.1	-72.1	-171.8	175.1	-137.2	0	113.1	F225 G227 F235 R236 G237	F225-K229 WeakPolarHBondContact O-CB 3.21Å; F225-K229 VanDerWaalsContact O-CG 3.24Å; F225-K229 WeakPolarHBondContact O-CG 3.43Å; F225-K229 PolarHBondContact O-N 3.27Å; G227-K229 VanDerWaalsContact C-N 3.35Å; G227-K229 PolarHBondContact O-N 3.28Å; K229-F235 WeakPolarHBondContact CE-O 3.23Å; K229-F235 WeakPolarHBondContact CG-O 3.46Å; K229-F235 PolarHBondContact NZ-O 3.25Å; K229-R236 HydrophobicContact CB-CG 4.28Å; K229-R236 PolarHBondContact NZ-O 3.21Å; K229-R236 WeakPolarHBondContact O-CD 3.42Å; K229-R236 WeakPolarHBondContact O-CG 3.5Å; K229-R236 PolarHBondContact O-NE 3.42Å; K229-G237 PolarHBondContact NZ-O 3.2Å
230	A	86.6	Confident	84.6	Confident	54 Å²	54	57 Å²	57	45%	0.446	30%	0.303	S	S	.	.	H	α-helix	trans	-68.5	-47.9	173.1	0	0	0	0	0	111	P197 Q226 G227 I228 R236	P197-A230 HydrophobicContact CG-CB 4.25Å; Q226-A230 WeakPolarHBondContact O-CB 3.04Å; Q226-A230 PolarHBondContact O-N 3.21Å; G227-A230 WeakPolarHBondContact O-CB 3.38Å; G227-A230 PolarHBondContact O-N 3.28Å; G227-A230 VanDerWaalsContact O-N 3.09Å; I228-A230 VanDerWaalsContact C-N 3.31Å; I228-A230 PolarHBondContact O-N 3.45Å; A230-R236 PolarHBondContact O-NH2 2.87Å
231	I	85.4	Confident	84.6	Confident	53 Å²	53	56.5 Å²	56.5	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-65.8	-63.1	-177.4	-64.9	153.4	0	0	0	111.8	P197 L199 G227 I228 Q253	P197-I231 HydrophobicContact CG-CD1 3.73Å; P197-I231 HydrophobicContact CG-CG1 3.57Å; L199-I231 HydrophobicContact CB-CD1 4.28Å; L199-I231 HydrophobicContact CD1-CD1 4.41Å; L199-I231 HydrophobicContact CD2-CD1 4.1Å; G227-I231 WeakPolarHBondContact O-CD1 3.27Å; G227-I231 WeakPolarHBondContact O-CG1 3.29Å; G227-I231 PolarHBondContact O-N 2.73Å; I228-I231 PolarHBondContact O-N 3.18Å; I231-Q253 HydrophobicContact CD1-CG 3.75Å
232	N	84.2	Confident	84.8	Confident	38 Å²	38	57.8 Å²	57.8	20%	0.203	30%	0.303	C	S	.	.			trans	-104.2	117.1	-172.2	-175.9	-18.3	0	0	0	111	I228 M234 F235 C249	I228-N232 PolarHBondContact O-N 3.03Å; N232-M234 PolarHBondContact O-N 3.46Å; N232-M234 VanDerWaalsContact OD1-CB 3.22Å; N232-M234 WeakPolarHBondContact OD1-CB 3.38Å; N232-M234 PolarHBondContact OD1-N 3.22Å; N232-F235 HydrophobicContact CB-CD2 3.84Å; N232-F235 HydrophobicContact CB-CE2 4.12Å; N232-F235 WeakPolarHBondContact ND2-CE2 3.46Å; N232-F235 PolarHBondContact O-N 2.9Å; N232-C249 PolarHBondContact ND2-SG 2.82Å
233	P	83.7	Confident	85.3	Confident	81 Å²	81	55 Å²	55	53%	0.526	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-56	-31.1	178.2	-26.3	35.2	0	0	0	115.3	F235 R236	P233-F235 PolarHBondContact O-N 3.36Å; P233-R236 WeakPolarHBondContact O-CB 3.39Å; P233-R236 WeakPolarHBondContact O-CG 3.37Å; P233-R236 PolarHBondContact O-N 3.09Å; P233-R236 VanDerWaalsContact O-N 3.14Å
234	M	83.9	Confident	85.7	Confident	69 Å²	69	51.5 Å²	51.5	34%	0.34	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56.8	-37.3	-178	179.8	-177.5	-80.3	0	0	112.8	N232 Q241 E245	N232-M234 PolarHBondContact O-N 3.46Å; N232-M234 VanDerWaalsContact OD1-CB 3.22Å; N232-M234 WeakPolarHBondContact OD1-CB 3.38Å; N232-M234 PolarHBondContact OD1-N 3.22Å; M234-Q241 PolarHBondContact O-NE2 3.14Å; M234-E245 WeakPolarHBondContact CE-OE1 3.32Å; M234-E245 VanDerWaalsContact SD-CD 3.55Å; M234-E245 HydrophobicContact SD-CG 4.28Å; M234-E245 VanDerWaalsContact SD-OE2 3.36Å
235	F	84.3	Confident	86	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-86.3	-6	-176.2	-57.2	-51.5	0	0	0	113.5	Y166 M167 I228 K229 N232 P233 G237 Q241 F246 C249	Y166-F235 AromaticContact CE2-CD1 3.88Å; Y166-F235 HydrophobicContact CE2-CD1 3.88Å; Y166-F235 AromaticContact CE2-CE1 3.91Å; Y166-F235 HydrophobicContact CE2-CE1 3.91Å; Y166-F235 WeakPolarHBondContact OH-CD1 3.41Å; M167-F235 HydrophobicContact CE-CB 3.62Å; M167-F235 HydrophobicContact CE-CD1 3.78Å; M167-F235 HydrophobicContact CE-CD2 4.31Å; M167-F235 HydrophobicContact CE-CG 3.63Å; I228-F235 HydrophobicContact CG2-CB 4.16Å; I228-F235 HydrophobicContact CG2-CD2 3.44Å; I228-F235 VanDerWaalsContact CG2-CD2 3.44Å; I228-F235 HydrophobicContact CG2-CE2 4.19Å; I228-F235 HydrophobicContact CG2-CG 4.06Å; K229-F235 WeakPolarHBondContact CE-O 3.23Å; K229-F235 WeakPolarHBondContact CG-O 3.46Å; K229-F235 PolarHBondContact NZ-O 3.25Å; N232-F235 HydrophobicContact CB-CD2 3.84Å; N232-F235 HydrophobicContact CB-CE2 4.12Å; N232-F235 WeakPolarHBondContact ND2-CE2 3.46Å; N232-F235 PolarHBondContact O-N 2.9Å; P233-F235 PolarHBondContact O-N 3.36Å; F235-G237 VanDerWaalsContact C-N 3.3Å; F235-G237 PolarHBondContact O-N 2.93Å; F235-Q241 HydrophobicContact CD1-CB 4.42Å; F235-Q241 HydrophobicContact CD1-CG 4.08Å; F235-Q241 HydrophobicContact CE1-CB 4.19Å; F235-Q241 HydrophobicContact CE1-CG 4.27Å; F235-F246 HydrophobicContact CE1-CB 4.25Å; F235-F246 HydrophobicContact CE1-CD2 4.34Å; F235-F246 HydrophobicContact CE2-CD2 4.3Å; F235-F246 HydrophobicContact CZ-CB 4.1Å; F235-F246 HydrophobicContact CZ-CD2 4.15Å; F235-C249 HydrophobicContact CE2-CB 3.94Å; F235-C249 HydrophobicContact CZ-CB 4.37Å
236	R	79.4	Confident	86.4	Confident	134 Å²	134	54.5 Å²	54.5	51%	0.506	28%	0.28	S	S	.	.	S	Bend	trans	-60.2	-36.4	-174.5	-72.7	178.7	-176.4	163	4.9	113.5	K229 A230 P233	K229-R236 HydrophobicContact CB-CG 4.28Å; K229-R236 PolarHBondContact NZ-O 3.21Å; K229-R236 WeakPolarHBondContact O-CD 3.42Å; K229-R236 WeakPolarHBondContact O-CG 3.5Å; K229-R236 PolarHBondContact O-NE 3.42Å; A230-R236 PolarHBondContact O-NH2 2.87Å; P233-R236 WeakPolarHBondContact O-CB 3.39Å; P233-R236 WeakPolarHBondContact O-CG 3.37Å; P233-R236 PolarHBondContact O-N 3.09Å; P233-R236 VanDerWaalsContact O-N 3.14Å
237	G	70.7	Confident	86.8	Confident	38 Å²	38	48.6 Å²	48.6	39%	0.392	25%	0.253	S	S	.	.	S	Bend	trans	-71.5	-164.8	-177.8	0	0	0	0	0	115.2	K229 F235	K229-G237 PolarHBondContact NZ-O 3.2Å; F235-G237 VanDerWaalsContact C-N 3.3Å; F235-G237 PolarHBondContact O-N 2.93Å
238	Y	76.8	Confident	87.2	Confident	172 Å²	172	53.1 Å²	53.1	68%	0.675	27%	0.268	S	S	*	.	S	Bend	trans	-115.6	25.7	169.4	-63.6	-86.3	0	0	0	111	N163	N163-Y238 PolarHBondContact ND2-O 2.72Å
239	S	79.6	Confident	87.5	Confident	55 Å²	55	54.1 Å²	54.1	39%	0.385	28%	0.276	S	S	.	.			trans	-68.3	147.2	170.9	39.8	0	0	0	0	110.9	Q241	S239-Q241 PolarHBondContact OG-NE2 3.22Å
240	Q	84.9	Confident	88	Confident	67 Å²	67	51.9 Å²	51.9	31%	0.313	27%	0.266	S	S	.	.			trans	-61.4	143.4	154.1	-69.1	157.6	-52.5	0	0	107.8	N163 S661 G662	N163-Q240 HydrophobicContact CB-CG 4.03Å; Q240-S661 PolarHBondContact NE2-OG 3.01Å; Q240-S661 PolarHBondContact OE1-OG 2.8Å; Q240-G662 VanDerWaalsContact NE2-N 3.15Å; Q240-G662 PolarHBondContact NE2-O 3.16Å
241	Q	91.5	Very high	88.4	Confident	51 Å²	51	49.4 Å²	49.4	24%	0.238	25%	0.245	C	C	.	.			trans	-138.5	174.3	174.9	-55.6	-69	17.3	0	0	108.9	Y166 M234 F235 S239	Y166-Q241 WeakPolarHBondContact CB-O 3.36Å; Y166-Q241 HydrophobicContact CD1-CB 4.32Å; Y166-Q241 HydrophobicContact CD2-CB 4.08Å; Y166-Q241 HydrophobicContact CE1-CB 3.94Å; Y166-Q241 HydrophobicContact CE1-CG 4.14Å; Y166-Q241 HydrophobicContact CE2-CB 3.71Å; Y166-Q241 HydrophobicContact CE2-CG 4.25Å; Y166-Q241 HydrophobicContact CG-CB 4.38Å; M234-Q241 PolarHBondContact O-NE2 3.14Å; F235-Q241 HydrophobicContact CD1-CB 4.42Å; F235-Q241 HydrophobicContact CD1-CG 4.08Å; F235-Q241 HydrophobicContact CE1-CB 4.19Å; F235-Q241 HydrophobicContact CE1-CG 4.27Å; S239-Q241 PolarHBondContact OG-NE2 3.22Å
242	D	93.7	Very high	88.7	Confident	34 Å²	34	50.4 Å²	50.4	18%	0.182	25%	0.251	C	S	.	.			trans	-77.8	141.1	178.5	-165.1	-78.1	0	0	0	112.6	Q244 E245 F246 Y664 Y698	D242-Q244 WeakPolarHBondContact OD1-CA 3.35Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.47Å; D242-Q244 PolarHBondContact OD1-N 3.21Å; D242-E245 HydrophobicContact CB-CB 4.1Å; D242-E245 PolarHBondContact OD1-N 2.94Å; D242-F246 WeakPolarHBondContact O-CB 3.5Å; D242-F246 PolarHBondContact O-N 3.35Å; D242-Y664 PolarHBondContact OD2-OH 2.91Å; D242-Y698 PolarHBondContact OD1-OH 3.4Å; D242-Y698 PolarHBondContact OD2-OH 2.93Å; D242-Y698 VanDerWaalsContact OD2-OH 3.08Å
243	S	95.8	Very high	89.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-78.5	-30.5	-178.5	-165.5	0	0	0	0	112.7	Y166 L247	Y166-S243 PolarHBondContact O-OG 2.95Å; S243-L247 WeakPolarHBondContact O-CB 3.28Å; S243-L247 VanDerWaalsContact O-CG 3.3Å; S243-L247 WeakPolarHBondContact O-CG 3.46Å; S243-L247 PolarHBondContact O-N 2.88Å
244	Q	95.6	Very high	89.6	Confident	24 Å²	24	47 Å²	47	11%	0.112	23%	0.227	C	C	.	.	H	α-helix	trans	-74.3	-39.7	175.1	-174.8	-96.1	12.7	0	0	111.7	D242 F246 L247 R248 D484 S486 H605 Y698 V699	D242-Q244 WeakPolarHBondContact OD1-CA 3.35Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.47Å; D242-Q244 PolarHBondContact OD1-N 3.21Å; Q244-F246 VanDerWaalsContact C-N 3.32Å; Q244-F246 PolarHBondContact O-N 3.47Å; Q244-L247 WeakPolarHBondContact O-CB 3.4Å; Q244-L247 PolarHBondContact O-N 2.7Å; Q244-R248 WeakPolarHBondContact O-CG 3.49Å; Q244-R248 PolarHBondContact O-N 3.37Å; Q244-D484 PolarHBondContact NE2-OD1 2.72Å; Q244-D484 PolarHBondContact NE2-OD2 2.67Å; Q244-S486 PolarHBondContact NE2-OG 2.9Å; Q244-H605 HydrophobicContact CG-CB 3.92Å; Q244-H605 PolarHBondContact NE2-ND1 3.37Å; Q244-Y698 HydrophobicContact CB-CE1 4.19Å; Q244-Y698 WeakPolarHBondContact CB-OH 3.43Å; Q244-V699 HydrophobicContact CB-CG2 4.1Å; Q244-V699 HydrophobicContact CG-CG2 4.49Å
245	E	94.4	Very high	90.1	Very high	83 Å²	83	45 Å²	45	39%	0.388	22%	0.217	S	C	.	.	H	α-helix	trans	-63.8	-40.3	174	-177.1	165.5	-144.5	0	0	111.4	M234 D242 R248 C249	M234-E245 WeakPolarHBondContact CE-OE1 3.32Å; M234-E245 VanDerWaalsContact SD-CD 3.55Å; M234-E245 HydrophobicContact SD-CG 4.28Å; M234-E245 VanDerWaalsContact SD-OE2 3.36Å; D242-E245 HydrophobicContact CB-CB 4.1Å; D242-E245 PolarHBondContact OD1-N 2.94Å; E245-R248 PolarHBondContact O-N 2.87Å; E245-C249 WeakPolarHBondContact O-CB 3.39Å; E245-C249 PolarHBondContact O-N 3.44Å
246	F	95.8	Very high	90.4	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-46.2	171.5	172.2	-96.4	0	0	0	112.9	Y166 M167 A170 L171 I228 F235 D242 Q244 R248 C249 L250	Y166-F246 HydrophobicContact CD2-CB 3.9Å; Y166-F246 HydrophobicContact CD2-CG 4.19Å; Y166-F246 HydrophobicContact CE2-CB 4.11Å; Y166-F246 HydrophobicContact CE2-CD2 4.16Å; Y166-F246 HydrophobicContact CE2-CG 4.27Å; M167-F246 HydrophobicContact CB-CD1 4.38Å; M167-F246 HydrophobicContact CB-CD2 4.39Å; M167-F246 HydrophobicContact CB-CE1 3.95Å; M167-F246 HydrophobicContact CB-CE2 3.93Å; M167-F246 HydrophobicContact CB-CZ 3.69Å; M167-F246 HydrophobicContact CE-CD2 3.69Å; M167-F246 HydrophobicContact CE-CE2 3.59Å; M167-F246 HydrophobicContact CG-CD1 4.35Å; M167-F246 HydrophobicContact CG-CD2 3.59Å; M167-F246 HydrophobicContact CG-CE1 4.21Å; M167-F246 HydrophobicContact CG-CE2 3.39Å; M167-F246 HydrophobicContact CG-CG 4.06Å; M167-F246 HydrophobicContact CG-CZ 3.72Å; M167-F246 HydrophobicContact SD-CD2 3.88Å; M167-F246 HydrophobicContact SD-CE2 3.29Å; M167-F246 WeakPolarHBondContact SD-CE2 3.47Å; M167-F246 HydrophobicContact SD-CZ 3.89Å; A170-F246 HydrophobicContact CB-CD1 3.47Å; A170-F246 VanDerWaalsContact CB-CD1 3.47Å; A170-F246 HydrophobicContact CB-CE1 3.66Å; L171-F246 HydrophobicContact CD1-CZ 4.49Å; L171-F246 HydrophobicContact CD2-CE1 4.46Å; L171-F246 HydrophobicContact CD2-CZ 4.38Å; L171-F246 HydrophobicContact CG-CE1 4.18Å; L171-F246 HydrophobicContact CG-CZ 4.24Å; I228-F246 HydrophobicContact CD1-CE2 3.48Å; I228-F246 VanDerWaalsContact CD1-CE2 3.48Å; I228-F246 HydrophobicContact CD1-CZ 3.76Å; I228-F246 HydrophobicContact CG2-CE2 4.22Å; F235-F246 HydrophobicContact CE1-CB 4.25Å; F235-F246 HydrophobicContact CE1-CD2 4.34Å; F235-F246 HydrophobicContact CE2-CD2 4.3Å; F235-F246 HydrophobicContact CZ-CB 4.1Å; F235-F246 HydrophobicContact CZ-CD2 4.15Å; D242-F246 WeakPolarHBondContact O-CB 3.5Å; D242-F246 PolarHBondContact O-N 3.35Å; Q244-F246 VanDerWaalsContact C-N 3.32Å; Q244-F246 PolarHBondContact O-N 3.47Å; F246-R248 VanDerWaalsContact C-N 3.35Å; F246-R248 PolarHBondContact O-N 3.35Å; F246-C249 PolarHBondContact O-N 2.82Å; F246-L250 HydrophobicContact CE1-CD2 4Å; F246-L250 HydrophobicContact CZ-CD2 4.01Å; F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 PolarHBondContact O-N 3.13Å
247	L	96.4	Very high	90.9	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-55.7	-49	176.4	-82.4	168.1	0	0	0	111.4	A170 L174 S243 Q244 L250 M251 I653 V699 F701	A170-L247 HydrophobicContact CB-CD1 4.4Å; A170-L247 HydrophobicContact CB-CD2 3.65Å; A170-L247 HydrophobicContact CB-CG 3.68Å; L174-L247 HydrophobicContact CD1-CD2 3.64Å; L174-L247 HydrophobicContact CD2-CD2 4.13Å; L174-L247 HydrophobicContact CG-CD2 3.69Å; S243-L247 WeakPolarHBondContact O-CB 3.28Å; S243-L247 VanDerWaalsContact O-CG 3.3Å; S243-L247 WeakPolarHBondContact O-CG 3.46Å; S243-L247 PolarHBondContact O-N 2.88Å; Q244-L247 WeakPolarHBondContact O-CB 3.4Å; Q244-L247 PolarHBondContact O-N 2.7Å; L247-L250 PolarHBondContact O-N 3.32Å; L247-M251 WeakPolarHBondContact O-CB 3.17Å; L247-M251 VanDerWaalsContact O-CG 3.32Å; L247-M251 WeakPolarHBondContact O-CG 3.18Å; L247-M251 PolarHBondContact O-N 2.61Å; L247-I653 HydrophobicContact CD1-CD1 3.87Å; L247-V699 HydrophobicContact CD1-CG1 4.15Å; L247-F701 HydrophobicContact CD1-CE2 4.11Å; L247-F701 HydrophobicContact CD1-CZ 3.75Å; L247-F701 HydrophobicContact CD2-CZ 3.93Å
248	R	94.7	Very high	91.9	Very high	100 Å²	100	42.1 Å²	42.1	38%	0.377	20%	0.199	S	C	.	.	H	α-helix	trans	-59.8	-53.1	178.2	-70.5	179.7	60.7	91.3	10.6	111.5	Q244 E245 F246 L250 M251 D252 D484	Q244-R248 WeakPolarHBondContact O-CG 3.49Å; Q244-R248 PolarHBondContact O-N 3.37Å; E245-R248 PolarHBondContact O-N 2.87Å; F246-R248 VanDerWaalsContact C-N 3.35Å; F246-R248 PolarHBondContact O-N 3.35Å; R248-L250 PolarHBondContact O-N 3.15Å; R248-M251 PolarHBondContact O-N 2.71Å; R248-M251 VanDerWaalsContact O-N 3.11Å; R248-D252 WeakPolarHBondContact O-CB 3.28Å; R248-D252 PolarHBondContact O-N 3.13Å; R248-D484 WeakPolarHBondContact CD-OD1 3.44Å; R248-D484 IonicContact CZ-OD1 3.73Å; R248-D484 IonicContact NE-OD1 3.31Å; R248-D484 IonicContact NH1-OD1 2.67Å; R248-D484 PolarHBondContact NH1-OD1 3.44Å
249	C	94.6	Very high	92.5	Very high	29 Å²	29	36.9 Å²	36.9	20%	0.196	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-33.2	179.2	-174.3	0	0	0	0	113.3	N232 F235 E245 F246 Q253	N232-C249 PolarHBondContact ND2-SG 2.82Å; F235-C249 HydrophobicContact CE2-CB 3.94Å; F235-C249 HydrophobicContact CZ-CB 4.37Å; E245-C249 WeakPolarHBondContact O-CB 3.39Å; E245-C249 PolarHBondContact O-N 3.44Å; F246-C249 PolarHBondContact O-N 2.82Å; C249-Q253 WeakPolarHBondContact O-CB 3.33Å; C249-Q253 PolarHBondContact O-N 3.25Å
250	L	95.1	Very high	92.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-73.7	-45.1	175.5	178	58.2	0	0	0	111.9	L171 L174 L199 I228 F246 L247 R248 Q253 L254	L171-L250 HydrophobicContact CD2-CD2 3.64Å; L174-L250 HydrophobicContact CD1-CD2 3.76Å; L174-L250 HydrophobicContact CD1-CG 4.49Å; L199-L250 HydrophobicContact CD2-CD1 3.63Å; L199-L250 HydrophobicContact CG-CD1 4.43Å; I228-L250 HydrophobicContact CD1-CD1 4.15Å; F246-L250 HydrophobicContact CE1-CD2 4Å; F246-L250 HydrophobicContact CZ-CD2 4.01Å; F246-L250 WeakPolarHBondContact O-CB 3.45Å; F246-L250 PolarHBondContact O-N 3.13Å; L247-L250 PolarHBondContact O-N 3.32Å; R248-L250 PolarHBondContact O-N 3.15Å; L250-Q253 PolarHBondContact O-N 2.85Å; L250-L254 HydrophobicContact CD1-CD1 3.96Å; L250-L254 HydrophobicContact CD1-CG 4.11Å; L250-L254 HydrophobicContact CG-CD1 4.05Å; L250-L254 WeakPolarHBondContact O-CB 3.46Å; L250-L254 VanDerWaalsContact O-CG 3.25Å; L250-L254 WeakPolarHBondContact O-CG 3.44Å; L250-L254 PolarHBondContact O-N 3.31Å
251	M	95.3	Very high	92.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-43.1	178.7	-70	-173.3	-51.9	0	0	112.1	L174 L247 R248 Q253 L254 H255 I455 F459 Q483	L174-M251 HydrophobicContact CD2-SD 4.34Å; L247-M251 WeakPolarHBondContact O-CB 3.17Å; L247-M251 VanDerWaalsContact O-CG 3.32Å; L247-M251 WeakPolarHBondContact O-CG 3.18Å; L247-M251 PolarHBondContact O-N 2.61Å; R248-M251 PolarHBondContact O-N 2.71Å; R248-M251 VanDerWaalsContact O-N 3.11Å; M251-Q253 PolarHBondContact O-N 2.99Å; M251-L254 PolarHBondContact O-N 3.27Å; M251-H255 WeakPolarHBondContact O-CB 3.41Å; M251-H255 PolarHBondContact O-N 2.75Å; M251-I455 HydrophobicContact CB-CG2 3.93Å; M251-I455 HydrophobicContact CG-CG2 4.44Å; M251-F459 HydrophobicContact SD-CD1 4.37Å; M251-F459 HydrophobicContact SD-CD2 4.1Å; M251-F459 HydrophobicContact SD-CE2 4.3Å; M251-F459 HydrophobicContact SD-CG 4.14Å; M251-Q483 HydrophobicContact CE-CB 4.09Å
252	D	93.3	Very high	91.4	Very high	75 Å²	75	39.7 Å²	39.7	40%	0.401	20%	0.2	S	C	.	.	H	α-helix	trans	-58.2	-47	175	-72.5	-38.7	0	0	0	111.2	R248 H255 E256	R248-D252 WeakPolarHBondContact O-CB 3.28Å; R248-D252 PolarHBondContact O-N 3.13Å; D252-H255 WeakPolarHBondContact O-CB 3.29Å; D252-H255 PolarHBondContact O-N 3.28Å; D252-E256 PolarHBondContact O-N 3.04Å
253	Q	92.8	Very high	89.7	Confident	45 Å²	45	42.6 Å²	42.6	21%	0.21	22%	0.22	C	C	.	.	H	α-helix	trans	-67	-40.9	177.9	-178.3	68.8	25.1	0	0	112.5	L199 I231 C249 L250 M251 H255 E256 E257	L199-Q253 HydrophobicContact CB-CG 4.19Å; L199-Q253 HydrophobicContact CD2-CB 4.09Å; L199-Q253 HydrophobicContact CD2-CG 3.64Å; I231-Q253 HydrophobicContact CD1-CG 3.75Å; C249-Q253 WeakPolarHBondContact O-CB 3.33Å; C249-Q253 PolarHBondContact O-N 3.25Å; L250-Q253 PolarHBondContact O-N 2.85Å; M251-Q253 PolarHBondContact O-N 2.99Å; Q253-H255 VanDerWaalsContact C-N 3.29Å; Q253-H255 PolarHBondContact O-N 2.84Å; Q253-E256 PolarHBondContact O-N 3.12Å; Q253-E257 PolarHBondContact NE2-OE1 2.86Å; Q253-E257 PolarHBondContact O-N 2.79Å
254	L	93.8	Very high	87.3	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-35.2	175.5	-72.5	174.4	0	0	0	111.3	F184 C200 Y203 L250 M251 L258 I455	F184-L254 HydrophobicContact CZ-CD2 4.42Å; C200-L254 HydrophobicContact CB-CD2 3.83Å; Y203-L254 HydrophobicContact CD1-CD1 4.35Å; Y203-L254 HydrophobicContact CG-CD1 4.37Å; L250-L254 HydrophobicContact CD1-CD1 3.96Å; L250-L254 HydrophobicContact CD1-CG 4.11Å; L250-L254 HydrophobicContact CG-CD1 4.05Å; L250-L254 WeakPolarHBondContact O-CB 3.46Å; L250-L254 VanDerWaalsContact O-CG 3.25Å; L250-L254 WeakPolarHBondContact O-CG 3.44Å; L250-L254 PolarHBondContact O-N 3.31Å; M251-L254 PolarHBondContact O-N 3.27Å; L254-L258 VanDerWaalsContact O-CB 3.23Å; L254-L258 WeakPolarHBondContact O-CB 3.4Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 2.89Å; L254-I455 HydrophobicContact CB-CD1 3.79Å; L254-I455 HydrophobicContact CB-CG1 3.73Å; L254-I455 HydrophobicContact CD1-CD1 4.15Å
255	H	93.1	Very high	84.8	Confident	29 Å²	29	52 Å²	52	13%	0.134	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-49.5	170.8	-175.8	112.7	0	0	0	110.7	M251 D252 Q253 E257 L258 K259 S453 I455	M251-H255 WeakPolarHBondContact O-CB 3.41Å; M251-H255 PolarHBondContact O-N 2.75Å; D252-H255 WeakPolarHBondContact O-CB 3.29Å; D252-H255 PolarHBondContact O-N 3.28Å; Q253-H255 VanDerWaalsContact C-N 3.29Å; Q253-H255 PolarHBondContact O-N 2.84Å; H255-E257 VanDerWaalsContact C-N 3.25Å; H255-E257 PolarHBondContact O-N 3.13Å; H255-L258 PolarHBondContact O-N 3.36Å; H255-K259 WeakPolarHBondContact O-CB 3.22Å; H255-K259 WeakPolarHBondContact O-CG 3.47Å; H255-K259 PolarHBondContact O-N 3Å; H255-S453 PolarHBondContact ND1-OG 3.01Å; H255-I455 HydrophobicContact CB-CB 4.16Å; H255-I455 HydrophobicContact CB-CG1 4.39Å; H255-I455 HydrophobicContact CB-CG2 4.4Å
256	E	91	Very high	81.9	Confident	81 Å²	81	53 Å²	53	38%	0.379	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-26.6	179.8	-79	-57	118.3	0	0	114.3	K195 D252 Q253 K259	K195-E256 PolarHBondContact NZ-O 3.38Å; D252-E256 PolarHBondContact O-N 3.04Å; Q253-E256 PolarHBondContact O-N 3.12Å; E256-K259 WeakPolarHBondContact OE1-CE 3.18Å; E256-K259 IonicContact OE1-NZ 3.57Å; E256-K259 PolarHBondContact OE1-NZ 2.9Å; E256-K259 WeakPolarHBondContact OE2-CE 3.39Å; E256-K259 IonicContact OE2-NZ 2.67Å; E256-K259 PolarHBondContact OE2-NZ 3.46Å
257	E	91.1	Very high	78.7	Confident	12 Å²	12	60 Å²	60	6%	0.056	33%	0.328	C	S	.	.	H	α-helix	trans	-87.8	-25.3	174.7	-76.9	-178.6	-142.1	0	0	114.5	L199 C200 Q253 H255	L199-E257 WeakPolarHBondContact CB-OE1 3.38Å; L199-E257 PolarHBondContact N-OE1 3.32Å; L199-E257 VanDerWaalsContact N-OE1 3.1Å; L199-E257 PolarHBondContact N-OE2 2.74Å; C200-E257 HydrophobicContact CB-CB 4.26Å; C200-E257 PolarHBondContact N-OE2 3.12Å; C200-E257 PolarHBondContact SG-OE2 3.21Å; Q253-E257 PolarHBondContact NE2-OE1 2.86Å; Q253-E257 PolarHBondContact O-N 2.79Å; H255-E257 VanDerWaalsContact C-N 3.25Å; H255-E257 PolarHBondContact O-N 3.13Å
258	L	91.2	Very high	75.6	Confident	18 Å²	18	68.1 Å²	68.1	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-115.2	13.3	-174.1	-60.7	174.3	0	0	0	113.9	F183 F184 V191 C200 L254 H255 S453 V454	F183-L258 HydrophobicContact CE1-CD1 4.39Å; F184-L258 HydrophobicContact CE1-CD1 4.1Å; F184-L258 HydrophobicContact CZ-CD1 3.73Å; V191-L258 HydrophobicContact CG1-CD2 4.39Å; C200-L258 HydrophobicContact CB-CD1 3.98Å; C200-L258 HydrophobicContact CB-CD2 3.8Å; C200-L258 HydrophobicContact CB-CG 3.85Å; L254-L258 VanDerWaalsContact O-CB 3.23Å; L254-L258 WeakPolarHBondContact O-CB 3.4Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 2.89Å; H255-L258 PolarHBondContact O-N 3.36Å; L258-S453 WeakPolarHBondContact O-CA 3.42Å; L258-S453 WeakPolarHBondContact O-CB 3.44Å; L258-V454 HydrophobicContact CD1-CG1 3.79Å
259	K	89.4	Confident	72.5	Confident	62 Å²	62	68.3 Å²	68.3	27%	0.27	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-82.4	126.4	179.4	64.7	178.8	-177.5	-175.2	0	113.4	H255 E256 Y451 R452	H255-K259 WeakPolarHBondContact O-CB 3.22Å; H255-K259 WeakPolarHBondContact O-CG 3.47Å; H255-K259 PolarHBondContact O-N 3Å; E256-K259 WeakPolarHBondContact OE1-CE 3.18Å; E256-K259 IonicContact OE1-NZ 3.57Å; E256-K259 PolarHBondContact OE1-NZ 2.9Å; E256-K259 WeakPolarHBondContact OE2-CE 3.39Å; E256-K259 IonicContact OE2-NZ 2.67Å; E256-K259 PolarHBondContact OE2-NZ 3.46Å; K259-Y451 HydrophobicContact CB-CD1 4.36Å; K259-Y451 HydrophobicContact CD-CD1 4.01Å; K259-Y451 HydrophobicContact CD-CG 3.94Å; K259-Y451 HydrophobicContact CG-CD1 4.17Å; K259-R452 CarbonylContact C-O 3.44Å; K259-R452 WeakPolarHBondContact CA-O 3.24Å
260	E	83.7	Confident	69.4	Low	96 Å²	96	73 Å²	73	45%	0.449	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	151.4	170.7	-59.3	-172.9	159.3	0	0	109.9	Y451 R452	E260-Y451 WeakPolarHBondContact O-CA 3.42Å; E260-R452 PolarHBondContact N-O 2.69Å; E260-R452 PolarHBondContact O-N 3.38Å
261	S	77.3	Confident	66.1	Low	71 Å²	71	77.8 Å²	77.8	50%	0.497	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.3	174.5	56.7	0	0	0	0	110.5	P263	S261-P263 WeakPolarHBondContact O-CD 3.38Å
262	V	72.4	Confident	62.9	Low	66 Å²	66	85.8 Å²	85.8	40%	0.4	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-70.6	124.3	175.8	-177.2	0	0	0	0	109.3	E264 R450 R452	V262-E264 PolarHBondContact O-N 3.26Å; V262-R450 HydrophobicContact CB-CB 4.28Å; V262-R450 HydrophobicContact CG2-CB 4.49Å; V262-R450 PolarHBondContact N-O 2.76Å; V262-R452 HydrophobicContact CG2-CB 3.58Å
263	P	56.1	Low	59.9	Low	95 Å²	95	86.5 Å²	86.5	62%	0.617	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-64	125.3	168.3	-17.7	31.6	0	0	0	109.5	S261	S261-P263 WeakPolarHBondContact O-CD 3.38Å
264	E	47.2	Very low	56.9	Low	107 Å²	107	93.2 Å²	93.2	50%	0.5	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-67	135.5	165.5	-63.4	-155.9	123.9	0	0	108.3	V262 S266 R447	V262-E264 PolarHBondContact O-N 3.26Å; E264-S266 PolarHBondContact O-N 2.93Å; E264-R447 IonicContact OE2-NH1 3.61Å; E264-R447 PolarHBondContact OE2-NH1 2.84Å
265	P	42.1	Very low	53.6	Low	114 Å²	114	100.9 Å²	100.9	74%	0.74	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-61	123.2	174.8	26	-33.4	0	0	0	109.1	D267	P265-D267 PolarHBondContact O-N 3.47Å
266	S	33.5	Very low	50.6	Low	105 Å²	105	105.9 Å²	105.9	73%	0.734	61%	0.608	S	S	*	*			trans	-75.9	105.3	178	34.3	0	0	0	0	110.1	E264 L268	E264-S266 PolarHBondContact O-N 2.93Å; S266-L268 PolarHBondContact O-N 3.17Å
267	D	28.2	Very low	47.5	Very low	147 Å²	147	107.1 Å²	107.1	79%	0.786	63%	0.625	S	S	*	*			trans	-58	91.8	175.5	-73.9	-45.8	0	0	0	111.5	P265 S269	P265-D267 PolarHBondContact O-N 3.47Å; D267-S269 PolarHBondContact O-N 3.21Å
268	L	32.4	Very low	45.2	Very low	173 Å²	173	111.7 Å²	111.7	91%	0.906	66%	0.656	S	S	*	*			trans	-83.5	57.7	-176.6	-149.5	85.7	0	0	0	111.8	S266	S266-L268 PolarHBondContact O-N 3.17Å
269	S	28.7	Very low	42.1	Very low	103 Å²	103	119.5 Å²	119.5	72%	0.72	69%	0.692	S	S	*	*			trans	-131.1	109.5	172.4	64.3	0	0	0	0	111.1	D267	D267-S269 PolarHBondContact O-N 3.21Å
270	T	29.1	Very low	39.3	Very low	128 Å²	128	125.5 Å²	125.5	79%	0.785	72%	0.721	S	S	*	*			trans	-134.1	136.4	-178.7	-54.1	0	0	0	0	110.9
271	S	25.7	Very low	36.5	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	73%	0.733	S	S	*	*			trans	54.9	107.1	163	61.4	0	0	0	0	119.2
272	I	28.6	Very low	34.3	Very low	171 Å²	171	131.8 Å²	131.8	88%	0.877	75%	0.753	S	S	*	*				-123	137	115.6	-59.5	-178.9	0	0	0	106.3
273	A	31.2	Very low	32.2	Very low	89 Å²	89	135.5 Å²	135.5	74%	0.736	77%	0.765	S	S	*	*			trans	-139.3	140.3	177.9	0	0	0	0	0	109.7
274	M	28.1	Very low	30.9	Very low	187 Å²	187	136.7 Å²	136.7	92%	0.921	78%	0.776	S	S	*	*			trans	-147.2	141.4	168	-65.1	-162	78.2	0	0	110.9
275	D	25.8	Very low	30	Very low	161 Å²	161	139.1 Å²	139.1	86%	0.861	79%	0.787	S	S	*	*			trans	-57.6	167.9	167.4	-77.6	-26.9	0	0	0	113.5
276	D	28.8	Very low	29.3	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	79%	0.786	S	S	*	*			cis	-172	151	-14.9	166.8	43.8	0	0	0	107.8
277	S	26.6	Very low	29	Very low	107 Å²	107	140.3 Å²	140.3	75%	0.748	79%	0.787	S	S	*	*			trans	164.9	145.3	146.8	-76	0	0	0	0	111.2
278	P	43.2	Very low	29.1	Very low	108 Å²	108	141.1 Å²	141.1	70%	0.701	79%	0.791	S	S	*	*			trans	-105.1	165.2	-166.8	40.3	-36.5	0	0	0	115.1
279	E	26.8	Very low	28.9	Very low	183 Å²	183	138.2 Å²	138.2	86%	0.855	78%	0.777	S	S	*	*				-172.7	148.6	117.6	-106.6	169.6	-165.8	0	0	115.2
280	E	28.8	Very low	28.9	Very low	187 Å²	187	142.2 Å²	142.2	87%	0.874	78%	0.782	S	S	*	*			trans	62.7	139.2	165	-58.2	-157.6	147.3	0	0	123.3
281	D	26.7	Very low	28.7	Very low	132 Å²	132	144.3 Å²	144.3	71%	0.706	78%	0.782	S	S	*	*			trans	-84.3	156.5	-173.8	-65.6	-77.8	0	0	0	114.6
282	N	29.3	Very low	28.7	Very low	168 Å²	168	143.3 Å²	143.3	90%	0.898	78%	0.775	S	S	*	*				-162.2	121.9	118.6	-109.1	-78.3	0	0	0	111.7
283	H	30.1	Very low	28.5	Very low	143 Å²	143	141 Å²	141	66%	0.662	77%	0.773	S	S	*	*			trans	-81.3	129.5	179.1	-88.2	-95.8	0	0	0	112.9	Q285	H283-Q285 PolarHBondContact ND1-OE1 2.89Å
284	S	28.5	Very low	28.2	Very low	120 Å²	120	145.7 Å²	145.7	84%	0.839	78%	0.78	S	S	*	*			trans	-154.8	85.5	144.3	49	0	0	0	0	111
285	Q	27.9	Very low	28.3	Very low	158 Å²	158	142.1 Å²	142.1	74%	0.738	77%	0.773	S	S	*	*			trans	-76.8	138.1	171.1	-70	164.5	-71.6	0	0	109.9	H283	H283-Q285 PolarHBondContact ND1-OE1 2.89Å
286	S	28.1	Very low	28.2	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	78%	0.777	S	S	*	*			trans	-141.1	111.9	167.4	63.7	0	0	0	0	108.9
287	D	27.3	Very low	28	Very low	142 Å²	142	137.7 Å²	137.7	76%	0.759	77%	0.774	S	S	*	*			trans	-71.8	135.6	-171.2	-55.9	-75.9	0	0	0	112.7	D289	D287-D289 PolarHBondContact O-N 3.49Å
288	N	28.5	Very low	27.9	Very low	164 Å²	164	138.6 Å²	138.6	88%	0.877	78%	0.78	S	S	*	*			trans	-95.8	75.6	174.9	-78.4	-48.1	0	0	0	110.4	F290	N288-F290 PolarHBondContact O-N 3.22Å
289	D	29.1	Very low	27.1	Very low	113 Å²	113	139 Å²	139	60%	0.604	79%	0.785	S	S	*	*			trans	-73.4	116.5	167.9	-96.4	-46.3	0	0	0	110.5	D287 Q291 N445	D287-D289 PolarHBondContact O-N 3.49Å; D289-Q291 PolarHBondContact O-N 3.26Å; D289-N445 PolarHBondContact OD1-ND2 2.99Å
290	F	27.8	Very low	27.1	Very low	187 Å²	187	138.7 Å²	138.7	82%	0.82	78%	0.784	S	S	*	*			trans	-86.3	99	179.1	-171.8	-89	0	0	0	110.5	N288	N288-F290 PolarHBondContact O-N 3.22Å
291	Q	25.6	Very low	27.1	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	79%	0.786	S	S	*	*			trans	-104.2	117.6	170.1	-69.5	-176.6	-14.6	0	0	110.1	D289 C293	D289-Q291 PolarHBondContact O-N 3.26Å; Q291-C293 PolarHBondContact O-N 2.76Å
292	S	25.2	Very low	27.1	Very low	82 Å²	82	139 Å²	139	57%	0.573	78%	0.784	S	S	*	*			trans	-63.1	113.4	170.1	-55.1	0	0	0	0	109.7
293	C	25.8	Very low	26.7	Very low	122 Å²	122	137.7 Å²	137.7	82%	0.824	78%	0.778	S	S	*	*			trans	-98.7	110.2	-178.1	56.4	0	0	0	0	111.9	Q291	Q291-C293 PolarHBondContact O-N 2.76Å
294	E	24.8	Very low	26.5	Very low	188 Å²	188	137.5 Å²	137.5	88%	0.879	78%	0.781	S	S	*	*			trans	-73.4	124.9	161.4	-63.7	178.7	147.8	0	0	109.4
295	S	30.1	Very low	26.2	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	78%	0.783	S	S	*	*			trans	149.1	124.4	138	-71.3	0	0	0	0	113.2
296	C	22.3	Very low	26	Very low	141 Å²	141	139 Å²	139	95%	0.953	78%	0.783	S	S	*	*			trans	-110	82.6	143.9	55.1	0	0	0	0	108.3
297	G	25.5	Very low	25.8	Very low	62 Å²	62	142.9 Å²	142.9	64%	0.639	79%	0.79	S	S	*	*			trans	-144.4	111.2	176	0	0	0	0	0	108.7
298	S	23.6	Very low	25.5	Very low	126 Å²	126	140.2 Å²	140.2	88%	0.881	80%	0.796	S	S	*	*			trans	-82	123.6	-164.9	-58.8	0	0	0	0	112.9
299	S	28.1	Very low	25.3	Very low	117 Å²	117	136 Å²	136	82%	0.818	79%	0.791	S	S	*	*			trans	-154.1	135	157.3	-170.7	0	0	0	0	109.4
300	E	26.3	Very low	24.9	Very low	176 Å²	176	135.8 Å²	135.8	82%	0.822	80%	0.799	S	S	*	*			trans	-97.6	159.7	-179.3	-67.9	-160.8	114.5	0	0	112.6
301	R	28.3	Very low	24.6	Very low	243 Å²	243	134.1 Å²	134.1	92%	0.917	80%	0.797	S	S	*	*			trans	-94.9	-177.5	-178.1	-49.3	171.1	-175.4	168.5	-2.6	108.7
302	A	26	Very low	24.5	Very low	81 Å²	81	131.7 Å²	131.7	67%	0.669	79%	0.793	S	S	*	*			cis	-163.9	-173.8	14	0	0	0	0	0	108.5
303	D	22.4	Very low	24.5	Very low	142 Å²	142	135.8 Å²	135.8	76%	0.759	81%	0.805	S	S	*	*			cis	-145.8	-108.1	-0.5	-151.9	-68	0	0	0	111.7
304	N	25.4	Very low	24.4	Very low	138 Å²	138	135.3 Å²	135.3	74%	0.738	80%	0.795	S	S	*	*			trans	-145.1	-175.6	-172.8	-73.5	-83.7	0	0	0	113
305	E	22	Very low	24.5	Very low	186 Å²	186	132.3 Å²	132.3	87%	0.869	79%	0.785	S	S	*	*			trans	78.5	149.5	162.5	-61.1	-165.1	168.5	0	0	119.1
306	V	24	Very low	24.3	Very low	123 Å²	123	132.5 Å²	132.5	75%	0.745	78%	0.781	S	S	*	*			cis	-162.9	135.2	-39.7	117.3	0	0	0	0	109.5
307	Q	23.3	Very low	24.5	Very low	185 Å²	185	131 Å²	131	86%	0.864	76%	0.764	S	S	*	*			trans	50.6	92.3	150.5	-161.7	169.2	-5.4	0	0	122.6
308	G	22.1	Very low	24.5	Very low	86 Å²	86	135.6 Å²	135.6	89%	0.887	77%	0.769	S	S	*	*				90.4	135.7	118.3	0	0	0	0	0	122.1
309	G	22.5	Very low	24.5	Very low	75 Å²	75	134.7 Å²	134.7	77%	0.773	77%	0.769	S	S	*	*			trans	135	106.8	152.1	0	0	0	0	0	118.7
310	S	21.3	Very low	24.3	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	77%	0.768	S	S	*	*			trans	46.3	105.5	147.1	-65.8	0	0	0	0	123.4
311	I	22.4	Very low	24.1	Very low	151 Å²	151	136.6 Å²	136.6	77%	0.774	77%	0.767	S	S	*	*				70.8	104	110.3	-68.7	166.1	0	0	0	119.9
312	V	23.4	Very low	23.8	Very low	121 Å²	121	132 Å²	132	73%	0.733	76%	0.759	S	S	*	*			trans	88.9	137.1	131	170	0	0	0	0	122.2
313	M	24.8	Very low	23.8	Very low	168 Å²	168	135.4 Å²	135.4	83%	0.828	77%	0.765	S	S	*	*			trans	75.1	140	163.4	-90.4	169.4	156.5	0	0	118.3
314	D	24.1	Very low	24.3	Very low	113 Å²	113	132.1 Å²	132.1	60%	0.604	75%	0.752	S	S	*	*			cis	-159	155.3	-2.7	-165.4	26.5	0	0	0	111.9
315	N	26.7	Very low	24.6	Very low	125 Å²	125	135.5 Å²	135.5	67%	0.668	76%	0.763	S	S	*	*			trans	42.4	138.6	153.9	-80.3	-35.9	0	0	0	121.2
316	T	26.5	Very low	24.8	Very low	114 Å²	114	132.5 Å²	132.5	70%	0.699	75%	0.749	S	S	*	*			cis	-161.6	168	1	35.1	0	0	0	0	107.6
317	N	26.8	Very low	25	Very low	111 Å²	111	132.3 Å²	132.3	59%	0.594	74%	0.744	S	S	*	*			cis	-151.2	157.5	-3	-131.3	31.2	0	0	0	113.1
318	E	24.6	Very low	25.6	Very low	158 Å²	158	131.9 Å²	131.9	74%	0.738	74%	0.742	S	S	*	*			trans	30.6	104.3	141	-68.3	166.6	-146.6	0	0	122.1
319	A	24.3	Very low	26.2	Very low	107 Å²	107	133.6 Å²	133.6	88%	0.884	73%	0.729	S	S	*	*				-149.7	137	110.2	0	0	0	0	0	108.6
320	E	23.6	Very low	26.7	Very low	171 Å²	171	132.9 Å²	132.9	80%	0.799	71%	0.706	S	S	*	*			trans	-108.9	166.8	-162.9	-63.5	-171.8	105.9	0	0	116
321	M	22.1	Very low	27.5	Very low	161 Å²	161	130.3 Å²	130.3	79%	0.793	69%	0.691	S	S	*	*			trans	71.6	89.2	160.1	-67.4	-169.6	-69	0	0	120.5
322	L	21.9	Very low	28.1	Very low	146 Å²	146	127.6 Å²	127.6	76%	0.764	68%	0.678	S	S	*	*				48.6	108.2	103.8	-72	171.8	0	0	0	120.5
323	I	26.2	Very low	28.8	Very low	153 Å²	153	129.3 Å²	129.3	79%	0.785	67%	0.671	S	S	*	*			trans	60.1	157.5	142.3	38	170.5	0	0	0	119.6
324	P	33.4	Very low	29.3	Very low	74 Å²	74	125.8 Å²	125.8	48%	0.481	65%	0.653	S	S	.	*			cis	-130.8	154	15.6	41.8	-26	0	0	0	118.7	Q326	P324-Q326 HydrophobicContact CB-CB 3.94Å; P324-Q326 HydrophobicContact CG-CB 3.78Å; P324-Q326 PolarHBondContact O-N 3.5Å
325	E	29.9	Very low	30	Very low	208 Å²	208	127.7 Å²	127.7	97%	0.972	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	63.8	156.9	-65.7	-179.2	128.2	0	0	110.6
326	Q	26	Very low	30.5	Very low	124 Å²	124	126.5 Å²	126.5	58%	0.579	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-21.3	179.8	-158.2	144.2	15.6	0	0	112.8	P324 Q330	P324-Q326 HydrophobicContact CB-CB 3.94Å; P324-Q326 HydrophobicContact CG-CB 3.78Å; P324-Q326 PolarHBondContact O-N 3.5Å; Q326-Q330 WeakPolarHBondContact O-CB 3.39Å; Q326-Q330 PolarHBondContact O-N 2.66Å
327	D	29.6	Very low	31.1	Very low	118 Å²	118	126.9 Å²	126.9	63%	0.631	63%	0.634	S	S	*	*	H	α-helix	trans	-79.6	-25.2	-161.4	-67.8	-17.4	0	0	0	115.2	A331	D327-A331 WeakPolarHBondContact O-CA 3.27Å; D327-A331 WeakPolarHBondContact O-CB 3.16Å; D327-A331 PolarHBondContact O-N 2.99Å
328	E	34.8	Very low	31.7	Very low	177 Å²	177	127.2 Å²	127.2	83%	0.827	63%	0.632	S	S	*	*	H	α-helix	trans	-77.5	-38.8	178.6	-65.4	-159.3	146.2	0	0	113.1	N332	E328-N332 PolarHBondContact O-N 2.75Å; E328-N332 VanDerWaalsContact O-N 3.14Å
329	I	36.3	Very low	32.3	Very low	121 Å²	121	125.2 Å²	125.2	62%	0.621	62%	0.621	S	S	*	*	H	α-helix	trans	-73.1	-34.1	172.8	-62.1	178.1	0	0	0	110.2	R333	I329-R333 WeakPolarHBondContact O-CB 3.21Å; I329-R333 VanDerWaalsContact O-CG 3.32Å; I329-R333 WeakPolarHBondContact O-CG 3.2Å; I329-R333 PolarHBondContact O-N 3.16Å
330	Q	32.8	Very low	33	Very low	61 Å²	61	124.6 Å²	124.6	29%	0.285	60%	0.603	S	S	.	*	H	α-helix	trans	-67.7	-49.2	173.1	-172.2	71.3	1.6	0	0	111.1	Q326 N332 R333 E334	Q326-Q330 WeakPolarHBondContact O-CB 3.39Å; Q326-Q330 PolarHBondContact O-N 2.66Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact O-N 3.45Å; Q330-R333 CarbonylContact O-C 3.42Å; Q330-R333 WeakPolarHBondContact O-CA 3.25Å; Q330-R333 WeakPolarHBondContact O-CB 3.37Å; Q330-R333 PolarHBondContact O-N 3.18Å; Q330-E334 HydrophobicContact CG-CG 4.08Å; Q330-E334 PolarHBondContact NE2-OE1 3.49Å; Q330-E334 WeakPolarHBondContact O-CB 3.38Å; Q330-E334 WeakPolarHBondContact O-CG 3.3Å; Q330-E334 PolarHBondContact O-N 2.87Å
331	A	36.8	Very low	33.7	Very low	55 Å²	55	122.8 Å²	122.8	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-60	-39.3	179.8	0	0	0	0	0	112.5	D327 R333 E334 W335	D327-A331 WeakPolarHBondContact O-CA 3.27Å; D327-A331 WeakPolarHBondContact O-CB 3.16Å; D327-A331 PolarHBondContact O-N 2.99Å; A331-R333 VanDerWaalsContact C-N 3.35Å; A331-E334 PolarHBondContact O-N 3.35Å; A331-W335 VanDerWaalsContact O-CB 3.25Å; A331-W335 WeakPolarHBondContact O-CB 3.09Å; A331-W335 PolarHBondContact O-N 3.03Å
332	N	35.7	Very low	34.7	Very low	94 Å²	94	119.7 Å²	119.7	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-68.4	-35.4	175.5	-150.2	-44.8	0	0	0	111.6	E328 Q330 Q336	E328-N332 PolarHBondContact O-N 2.75Å; E328-N332 VanDerWaalsContact O-N 3.14Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact O-N 3.45Å; N332-Q336 WeakPolarHBondContact O-CB 3.32Å; N332-Q336 WeakPolarHBondContact O-CG 3.31Å; N332-Q336 PolarHBondContact O-N 3.47Å; N332-Q336 PolarHBondContact OD1-NE2 3.45Å
333	R	37.2	Very low	35.5	Very low	156 Å²	156	117.3 Å²	117.3	59%	0.589	57%	0.57	S	S	*	*	H	α-helix	trans	-73.1	-29.2	172	-75.4	176.3	169.5	-172.1	-2	113.4	I329 Q330 A331 K337	I329-R333 WeakPolarHBondContact O-CB 3.21Å; I329-R333 VanDerWaalsContact O-CG 3.32Å; I329-R333 WeakPolarHBondContact O-CG 3.2Å; I329-R333 PolarHBondContact O-N 3.16Å; Q330-R333 CarbonylContact O-C 3.42Å; Q330-R333 WeakPolarHBondContact O-CA 3.25Å; Q330-R333 WeakPolarHBondContact O-CB 3.37Å; Q330-R333 PolarHBondContact O-N 3.18Å; A331-R333 VanDerWaalsContact C-N 3.35Å; R333-K337 WeakPolarHBondContact O-CB 3.48Å; R333-K337 VanDerWaalsContact O-CG 3.26Å; R333-K337 WeakPolarHBondContact O-CG 3.41Å; R333-K337 PolarHBondContact O-N 3.19Å
334	E	35.8	Very low	36	Very low	95 Å²	95	114.4 Å²	114.4	44%	0.444	56%	0.556	S	S	.	*	H	α-helix	trans	-80.8	-41.5	178.9	-77	-176.6	166.2	0	0	111.1	Q330 A331 Q336 K337 E338	Q330-E334 HydrophobicContact CG-CG 4.08Å; Q330-E334 PolarHBondContact NE2-OE1 3.49Å; Q330-E334 WeakPolarHBondContact O-CB 3.38Å; Q330-E334 WeakPolarHBondContact O-CG 3.3Å; Q330-E334 PolarHBondContact O-N 2.87Å; A331-E334 PolarHBondContact O-N 3.35Å; E334-Q336 PolarHBondContact O-N 3.25Å; E334-K337 CarbonylContact O-C 3.55Å; E334-K337 PolarHBondContact O-N 2.99Å; E334-K337 VanDerWaalsContact O-N 3.07Å; E334-E338 VanDerWaalsContact O-CB 3.22Å; E334-E338 WeakPolarHBondContact O-CB 3.26Å; E334-E338 PolarHBondContact O-N 2.84Å
335	W	38.1	Very low	36.3	Very low	153 Å²	153	117 Å²	117	58%	0.58	57%	0.565	S	S	*	*	H	α-helix	trans	-56.7	-38.9	167.6	-171.8	82.5	0	0	0	111.7	A331 K339	A331-W335 VanDerWaalsContact O-CB 3.25Å; A331-W335 WeakPolarHBondContact O-CB 3.09Å; A331-W335 PolarHBondContact O-N 3.03Å; W335-K339 HydrophobicContact CH2-CD 4.48Å; W335-K339 WeakPolarHBondContact O-CB 3.46Å; W335-K339 PolarHBondContact O-N 3.04Å; W335-K339 VanDerWaalsContact O-N 3.09Å
336	Q	37.8	Very low	36.6	Very low	100 Å²	100	116.2 Å²	116.2	47%	0.467	55%	0.554	S	S	.	*	H	α-helix	trans	-71.1	-39	172.9	-70.8	173.2	25.3	0	0	113.1	N332 E334 N340	N332-Q336 WeakPolarHBondContact O-CB 3.32Å; N332-Q336 WeakPolarHBondContact O-CG 3.31Å; N332-Q336 PolarHBondContact O-N 3.47Å; N332-Q336 PolarHBondContact OD1-NE2 3.45Å; E334-Q336 PolarHBondContact O-N 3.25Å; Q336-N340 WeakPolarHBondContact O-CB 3.46Å; Q336-N340 PolarHBondContact O-N 2.82Å; Q336-N340 VanDerWaalsContact O-N 3.07Å; Q336-N340 PolarHBondContact O-ND2 2.96Å
337	K	38.6	Very low	37.2	Very low	121 Å²	121	119.2 Å²	119.2	53%	0.526	56%	0.56	S	S	.	*	H	α-helix	trans	-67.6	-41.1	174.6	-81.6	171.3	176.4	176.1	0	112.7	R333 E334 N340 M341	R333-K337 WeakPolarHBondContact O-CB 3.48Å; R333-K337 VanDerWaalsContact O-CG 3.26Å; R333-K337 WeakPolarHBondContact O-CG 3.41Å; R333-K337 PolarHBondContact O-N 3.19Å; E334-K337 CarbonylContact O-C 3.55Å; E334-K337 PolarHBondContact O-N 2.99Å; E334-K337 VanDerWaalsContact O-N 3.07Å; K337-N340 CarbonylContact O-C 3.56Å; K337-N340 PolarHBondContact O-N 3.04Å; K337-M341 WeakPolarHBondContact O-CB 3.29Å; K337-M341 PolarHBondContact O-N 2.7Å
338	E	39.6	Very low	37.5	Very low	118 Å²	118	118.2 Å²	118.2	55%	0.551	56%	0.562	S	S	*	*	H	α-helix	trans	-65.1	-46.3	178.8	-177.1	174.8	-146	0	0	109.8	E334 N340 M341 I342	E334-E338 VanDerWaalsContact O-CB 3.22Å; E334-E338 WeakPolarHBondContact O-CB 3.26Å; E334-E338 PolarHBondContact O-N 2.84Å; E338-N340 VanDerWaalsContact C-N 3.25Å; E338-N340 PolarHBondContact O-N 2.8Å; E338-M341 PolarHBondContact O-N 2.89Å; E338-I342 HydrophobicContact CG-CD1 4.05Å; E338-I342 WeakPolarHBondContact O-CB 3.35Å; E338-I342 VanDerWaalsContact O-CG1 3.27Å; E338-I342 WeakPolarHBondContact O-CG1 3.29Å; E338-I342 PolarHBondContact O-N 2.71Å
339	K	38.9	Very low	37.4	Very low	117 Å²	117	112.9 Å²	112.9	51%	0.509	56%	0.555	S	S	.	*	H	α-helix	trans	-61.5	-31.4	173.3	-161.2	169.7	-165.8	168.1	0	113.1	W335 N343	W335-K339 HydrophobicContact CH2-CD 4.48Å; W335-K339 WeakPolarHBondContact O-CB 3.46Å; W335-K339 PolarHBondContact O-N 3.04Å; W335-K339 VanDerWaalsContact O-N 3.09Å; K339-N343 PolarHBondContact O-N 3.34Å
340	N	38.7	Very low	37.4	Very low	94 Å²	94	112.5 Å²	112.5	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-77	-41.7	172.1	-72.2	-20.8	0	0	0	112.5	Q336 K337 E338 I342 N343 D344	Q336-N340 WeakPolarHBondContact O-CB 3.46Å; Q336-N340 PolarHBondContact O-N 2.82Å; Q336-N340 VanDerWaalsContact O-N 3.07Å; Q336-N340 PolarHBondContact O-ND2 2.96Å; K337-N340 CarbonylContact O-C 3.56Å; K337-N340 PolarHBondContact O-N 3.04Å; E338-N340 VanDerWaalsContact C-N 3.25Å; E338-N340 PolarHBondContact O-N 2.8Å; N340-I342 VanDerWaalsContact C-N 3.33Å; N340-I342 PolarHBondContact O-N 3.04Å; N340-N343 CarbonylContact O-C 3.56Å; N340-N343 WeakPolarHBondContact O-CA 3.28Å; N340-N343 VanDerWaalsContact O-CB 3.28Å; N340-N343 WeakPolarHBondContact O-CB 3.44Å; N340-N343 PolarHBondContact O-N 2.81Å; N340-N343 VanDerWaalsContact O-N 3.07Å; N340-D344 PolarHBondContact O-N 3.28Å
341	M	37.7	Very low	37.4	Very low	133 Å²	133	117.5 Å²	117.5	66%	0.655	59%	0.587	S	S	*	*	H	α-helix	trans	-60.9	-40.1	174	-86.7	-175	160.2	0	0	112	K337 E338 N343 D344 L345	K337-M341 WeakPolarHBondContact O-CB 3.29Å; K337-M341 PolarHBondContact O-N 2.7Å; E338-M341 PolarHBondContact O-N 2.89Å; M341-N343 VanDerWaalsContact C-N 3.29Å; M341-N343 PolarHBondContact O-N 2.8Å; M341-D344 PolarHBondContact O-N 3.1Å; M341-L345 VanDerWaalsContact O-CB 3.32Å; M341-L345 WeakPolarHBondContact O-CB 3.27Å; M341-L345 VanDerWaalsContact O-CG 3.25Å; M341-L345 WeakPolarHBondContact O-CG 3.27Å; M341-L345 PolarHBondContact O-N 3.13Å
342	I	42.9	Very low	37	Very low	96 Å²	96	118.2 Å²	118.2	49%	0.492	60%	0.6	S	S	.	*	H	α-helix	trans	-61.7	-40	173.4	-70.1	164.9	0	0	0	110.4	E338 N340 Y346	E338-I342 HydrophobicContact CG-CD1 4.05Å; E338-I342 WeakPolarHBondContact O-CB 3.35Å; E338-I342 VanDerWaalsContact O-CG1 3.27Å; E338-I342 WeakPolarHBondContact O-CG1 3.29Å; E338-I342 PolarHBondContact O-N 2.71Å; N340-I342 VanDerWaalsContact C-N 3.33Å; N340-I342 PolarHBondContact O-N 3.04Å; I342-Y346 WeakPolarHBondContact O-CB 3.47Å; I342-Y346 PolarHBondContact O-N 3.41Å
343	N	38.1	Very low	36.7	Very low	95 Å²	95	121 Å²	121	51%	0.508	62%	0.62	S	S	.	*	H	α-helix	trans	-67	-40.7	175.4	-118.7	-20.3	0	0	0	112.8	K339 N340 M341 Y346 R347	K339-N343 PolarHBondContact O-N 3.34Å; N340-N343 CarbonylContact O-C 3.56Å; N340-N343 WeakPolarHBondContact O-CA 3.28Å; N340-N343 VanDerWaalsContact O-CB 3.28Å; N340-N343 WeakPolarHBondContact O-CB 3.44Å; N340-N343 PolarHBondContact O-N 2.81Å; N340-N343 VanDerWaalsContact O-N 3.07Å; M341-N343 VanDerWaalsContact C-N 3.29Å; M341-N343 PolarHBondContact O-N 2.8Å; N343-Y346 PolarHBondContact O-N 2.91Å; N343-R347 WeakPolarHBondContact O-CB 3.24Å; N343-R347 PolarHBondContact O-N 2.81Å
344	D	36.6	Very low	36.3	Very low	92 Å²	92	122.5 Å²	122.5	49%	0.492	64%	0.636	S	S	.	*	H	α-helix	trans	-75.9	-28.6	179	-76.1	-30	0	0	0	112.6	N340 M341 R347 S348	N340-D344 PolarHBondContact O-N 3.28Å; M341-D344 PolarHBondContact O-N 3.1Å; D344-R347 PolarHBondContact O-N 3.35Å; D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.35Å; D344-S348 PolarHBondContact O-N 3.3Å; D344-S348 PolarHBondContact O-OG 3.25Å
345	L	39.9	Very low	35.8	Very low	128 Å²	128	122 Å²	122	67%	0.67	66%	0.657	S	S	*	*	H	α-helix	trans	-66.8	-43.7	166.7	-75.6	165.9	0	0	0	110.9	M341 R347 S348 G349	M341-L345 VanDerWaalsContact O-CB 3.32Å; M341-L345 WeakPolarHBondContact O-CB 3.27Å; M341-L345 VanDerWaalsContact O-CG 3.25Å; M341-L345 WeakPolarHBondContact O-CG 3.27Å; M341-L345 PolarHBondContact O-N 3.13Å; L345-R347 PolarHBondContact O-N 3.46Å; L345-S348 PolarHBondContact O-N 3.46Å; L345-G349 PolarHBondContact O-N 2.84Å; L345-G349 VanDerWaalsContact O-N 3.08Å
346	Y	36.6	Very low	35.3	Very low	193 Å²	193	118.2 Å²	118.2	76%	0.757	67%	0.665	S	S	*	*	H	α-helix	trans	-64	-26.7	172.7	-114	-90.3	0	0	0	113.4	I342 N343	I342-Y346 WeakPolarHBondContact O-CB 3.47Å; I342-Y346 PolarHBondContact O-N 3.41Å; N343-Y346 PolarHBondContact O-N 2.91Å
347	R	38	Very low	34.8	Very low	187 Å²	187	120.4 Å²	120.4	71%	0.706	68%	0.679	S	S	*	*	H	α-helix	trans	-85.1	-34	176.7	-167.1	172.1	-64.7	-127.3	-2.8	113.1	N343 D344 L345	N343-R347 WeakPolarHBondContact O-CB 3.24Å; N343-R347 PolarHBondContact O-N 2.81Å; D344-R347 PolarHBondContact O-N 3.35Å; L345-R347 PolarHBondContact O-N 3.46Å
348	S	36.3	Very low	34.4	Very low	96 Å²	96	122 Å²	122	67%	0.671	69%	0.694	S	S	*	*	H	α-helix	trans	-80.9	-16.4	179.3	-56.6	0	0	0	0	113.2	D344 L345 V350	D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.35Å; D344-S348 PolarHBondContact O-N 3.3Å; D344-S348 PolarHBondContact O-OG 3.25Å; L345-S348 PolarHBondContact O-N 3.46Å; S348-V350 PolarHBondContact O-N 2.87Å
349	G	34	Very low	33.9	Very low	66 Å²	66	120.1 Å²	120.1	68%	0.68	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-9.6	171.3	0	0	0	0	0	115	L345	L345-G349 PolarHBondContact O-N 2.84Å; L345-G349 VanDerWaalsContact O-N 3.08Å
350	V	35.3	Very low	33.5	Very low	113 Å²	113	121.7 Å²	121.7	69%	0.685	72%	0.72	S	S	*	*	S	Bend	trans	-122.6	61.6	-175.5	-165.9	0	0	0	0	111.8	S348	S348-V350 PolarHBondContact O-N 2.87Å
351	N	32.8	Very low	33.1	Very low	166 Å²	166	124.7 Å²	124.7	89%	0.888	73%	0.734	S	S	*	*	S	Bend	trans	-174.1	84.9	146.8	-96.9	-39.6	0	0	0	110.6
352	G	28.2	Very low	32.8	Very low	70 Å²	70	123.9 Å²	123.9	72%	0.722	73%	0.733	S	S	*	*			trans	-159.1	78.1	-172.9	0	0	0	0	0	116.4
353	V	29	Very low	32.4	Very low	153 Å²	153	127 Å²	127	93%	0.927	74%	0.742	S	S	*	*			trans	73.6	157.5	161.3	-171.3	0	0	0	0	116.6
354	M	28.7	Very low	32	Very low	187 Å²	187	128.6 Å²	128.6	92%	0.921	75%	0.751	S	S	*	*			trans	-85	140	-165.6	-59	171.2	172.7	0	0	115.2
355	G	26.5	Very low	31.9	Very low	85 Å²	85	129.6 Å²	129.6	88%	0.876	76%	0.76	S	S	*	*				96.6	134.6	116.5	0	0	0	0	0	120.4
356	G	26.8	Very low	31.4	Very low	73 Å²	73	130.2 Å²	130.2	75%	0.753	76%	0.764	S	S	*	*			trans	128.5	105.8	150.3	0	0	0	0	0	118.2
357	N	28.2	Very low	31	Very low	145 Å²	145	126.7 Å²	126.7	78%	0.775	76%	0.763	S	S	*	*			trans	40.4	130.7	142.5	-71.3	18.4	0	0	0	123.7
358	N	29.4	Very low	30.6	Very low	156 Å²	156	123.4 Å²	123.4	83%	0.834	76%	0.764	S	S	*	*			trans	63.6	139.5	134.4	-54.8	5.7	0	0	0	121.2
359	G	29.3	Very low	30.2	Very low	77 Å²	77	124.1 Å²	124.1	79%	0.794	76%	0.764	S	S	*	*			trans	154.8	94.5	152.8	0	0	0	0	0	116.9
360	D	30.2	Very low	29.8	Very low	151 Å²	151	127.9 Å²	127.9	81%	0.807	77%	0.769	S	S	*	*			trans	-51.7	177	170.8	-60.2	-63.1	0	0	0	118.5
361	I	31.3	Very low	29.3	Very low	156 Å²	156	129 Å²	129	80%	0.8	78%	0.776	S	S	*	*			trans	88.2	105.2	150.4	-76.6	150.9	0	0	0	118
362	D	31.4	Very low	29	Very low	117 Å²	117	129.2 Å²	129.2	63%	0.626	77%	0.774	S	S	*	*				92.3	141.2	71.3	-135.5	22.8	0	0	0	113.8
363	K	33	Very low	30.1	Very low	160 Å²	160	130.7 Å²	130.7	70%	0.696	77%	0.771	S	S	*	*			trans	76.7	152.2	151	-72.4	-166.5	171.7	89.8	0	122.4
364	D	31	Very low	29.9	Very low	130 Å²	130	130.3 Å²	130.3	70%	0.695	76%	0.762	S	S	*	*			cis	-170.1	169.3	-24.1	-122.6	-16.5	0	0	0	112.2
365	V	34.9	Very low	29.7	Very low	112 Å²	112	129.1 Å²	129.1	68%	0.679	76%	0.758	S	S	*	*			trans	72.8	112.9	147.5	169.2	0	0	0	0	123.4
366	D	28.2	Very low	29.5	Very low	141 Å²	141	129.5 Å²	129.5	75%	0.754	75%	0.747	S	S	*	*			trans	-4.1	160.4	137.7	-47	-51.5	0	0	0	123.7
367	T	28.6	Very low	29.6	Very low	119 Å²	119	130.5 Å²	130.5	73%	0.73	74%	0.742	S	S	*	*				159.3	101.2	110	-60.9	0	0	0	0	116.5
368	T	28.6	Very low	29.5	Very low	118 Å²	118	133.3 Å²	133.3	72%	0.724	75%	0.751	S	S	*	*			trans	41.8	151.6	138.5	75.6	0	0	0	0	128.3
369	T	28.1	Very low	29.2	Very low	111 Å²	111	129.6 Å²	129.6	68%	0.681	75%	0.749	S	S	*	*			trans	87.1	114.8	135	37.9	0	0	0	0	125.7
370	D	26.6	Very low	29	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	75%	0.749	S	S	*	*				76.6	148.2	121.9	-69.9	-3.2	0	0	0	127.9
371	T	24.9	Very low	28.6	Very low	138 Å²	138	130.9 Å²	130.9	85%	0.847	75%	0.75	S	S	*	*			trans	103.5	148.2	147.8	-0.4	0	0	0	0	122.1
372	M	27.1	Very low	28.2	Very low	170 Å²	170	133.2 Å²	133.2	84%	0.837	76%	0.755	S	S	*	*			trans	-144.7	-177.5	-174.6	-91.1	-81.8	-177.1	0	0	107.6
373	P	50.1	Low	27.8	Very low	101 Å²	101	132.7 Å²	132.7	66%	0.656	76%	0.756	S	S	*	*			cis	-127.3	-158.8	-21.1	36.2	-16.2	0	0	0	111.7
374	I	24.3	Very low	27.2	Very low	145 Å²	145	134.2 Å²	134.2	74%	0.744	77%	0.765	S	S	*	*			trans	163.3	137.1	131.8	-88.4	164	0	0	0	116.2
375	I	25	Very low	26.8	Very low	162 Å²	162	131.3 Å²	131.3	83%	0.831	77%	0.766	S	S	*	*			trans	69	162.6	160.8	-87.1	166.5	0	0	0	118.3
376	S	23.2	Very low	26.2	Very low	93 Å²	93	137.5 Å²	137.5	65%	0.65	78%	0.777	S	S	*	*			cis	179.3	177.8	-35.5	-162.9	0	0	0	0	108.2
377	S	28.1	Very low	25.9	Very low	93 Å²	93	136.3 Å²	136.3	65%	0.65	78%	0.775	S	S	*	*			cis	-159.5	148.5	9.2	-35	0	0	0	0	114.4
378	Q	26.4	Very low	25.7	Very low	204 Å²	204	135.3 Å²	135.3	95%	0.953	77%	0.773	S	S	*	*			trans	48.6	139.5	135.6	-61.1	-177.4	6	0	0	125.7
379	G	24.1	Very low	25.4	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	78%	0.775	S	S	*	*			trans	-174.9	144.5	158	0	0	0	0	0	111.4
380	A	23.8	Very low	25	Very low	95 Å²	95	135.5 Å²	135.5	79%	0.785	77%	0.771	S	S	*	*			trans	-155.5	149.3	-162.4	0	0	0	0	0	120.3
381	L	22.4	Very low	24.8	Very low	161 Å²	161	138.1 Å²	138.1	84%	0.843	78%	0.776	S	S	*	*			trans	53.4	120.6	143.4	-68.9	168.8	0	0	0	123.8
382	K	23	Very low	24.7	Very low	204 Å²	204	135.7 Å²	135.7	89%	0.887	77%	0.765	S	S	*	*				168.5	177.2	128.4	-96.2	-177.8	174.7	-179.3	0	112
383	V	22	Very low	24.5	Very low	107 Å²	107	134.2 Å²	134.2	65%	0.648	76%	0.761	S	S	*	*				-174.8	149.8	-70.4	142.7	0	0	0	0	110.8
384	Q	21.8	Very low	23.3	Very low	191 Å²	191	135.3 Å²	135.3	89%	0.893	76%	0.759	S	S	*	*			trans	69.9	148.9	171.2	-89.3	157.4	-50	0	0	119.2
385	G	21.6	Very low	23.3	Very low	69 Å²	69	135.7 Å²	135.7	71%	0.711	76%	0.758	S	S	*	*			cis	155.2	147	-17.4	0	0	0	0	0	117.2
386	R	23.2	Very low	23.2	Very low	243 Å²	243	134.6 Å²	134.6	92%	0.917	75%	0.751	S	S	*	*			trans	66.7	159.9	166.4	-72.5	-174.6	170.9	-172.5	-3.4	117.4
387	T	21.6	Very low	23.2	Very low	116 Å²	116	134.1 Å²	134.1	71%	0.712	75%	0.748	S	S	*	*			cis	-158.4	159.7	11.7	-11.6	0	0	0	0	112.3
388	S	23.7	Very low	23	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	75%	0.75	S	S	*	*			trans	43	153.9	139.8	-78.9	0	0	0	0	123
389	D	21.8	Very low	22.9	Very low	144 Å²	144	132.7 Å²	132.7	77%	0.77	74%	0.738	S	S	*	*			cis	-171.2	-178.8	12	-113.6	17.6	0	0	0	108.7
390	C	21.3	Very low	22.9	Very low	90 Å²	90	135.3 Å²	135.3	61%	0.608	74%	0.738	S	S	*	*			cis	-174.8	123.5	-13.4	166	0	0	0	0	111.2
391	F	21.7	Very low	22.9	Very low	199 Å²	199	141.6 Å²	141.6	87%	0.873	74%	0.742	S	S	*	*			trans	59.6	166.7	158.3	-80.6	-100.7	0	0	0	119.3
392	S	23.4	Very low	23.9	Very low	88 Å²	88	138.2 Å²	138.2	62%	0.615	73%	0.73	S	S	*	*			cis	-163.9	158.8	-0.9	42.2	0	0	0	0	112.6
393	D	22.8	Very low	23.9	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	73%	0.729	S	S	*	*			trans	69.6	150.9	137.3	-76.6	7.2	0	0	0	122.3
394	I	24.8	Very low	24	Very low	123 Å²	123	137.4 Å²	137.4	63%	0.631	73%	0.734	S	S	*	*			cis	-168.1	161.4	-13	-138.7	172.6	0	0	0	113.1
395	Q	23.3	Very low	24.9	Very low	153 Å²	153	133.6 Å²	133.6	72%	0.715	73%	0.726	S	S	*	*			trans	66.7	157.7	154.5	-76.5	-175.4	-1	0	0	122.7
396	M	22.8	Very low	25.1	Very low	140 Å²	140	135.9 Å²	135.9	69%	0.69	73%	0.725	S	S	*	*			cis	-170.3	155.1	-25.4	-158.1	162.8	69.7	0	0	113.7
397	S	24.2	Very low	25.1	Very low	82 Å²	82	129.7 Å²	129.7	57%	0.573	72%	0.715	S	S	*	*			trans	65	155.7	146.2	49.3	0	0	0	0	122.9
398	N	23.2	Very low	25.3	Very low	131 Å²	131	130.9 Å²	130.9	70%	0.701	72%	0.715	S	S	*	*			cis	-169.4	150	-20.5	-99.3	-15.5	0	0	0	113
399	I	24.9	Very low	25.3	Very low	136 Å²	136	135.3 Å²	135.3	70%	0.697	73%	0.725	S	S	*	*				43.7	131.2	129.5	-41.3	162.9	0	0	0	118.1
400	T	23.8	Very low	25.3	Very low	133 Å²	133	132.1 Å²	132.1	82%	0.816	73%	0.727	S	S	*	*				-171	158.1	72.1	-38.9	0	0	0	0	115.8
401	R	23.2	Very low	25.4	Very low	228 Å²	228	137 Å²	137	86%	0.86	74%	0.74	S	S	*	*			trans	-79.4	-165.1	169.4	-122.5	-177.2	168.5	-173.3	-1.6	112
402	P	43.9	Very low	25.5	Very low	90 Å²	90	134.7 Å²	134.7	58%	0.584	74%	0.735	S	S	*	*			cis	-140.5	-168.5	-26.9	39.4	-19.9	0	0	0	116
403	Q	22.8	Very low	26.1	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	74%	0.737	S	S	*	*			trans	94.8	162.6	143	-87.6	164.3	-6.2	0	0	122.4
404	S	24.1	Very low	26.1	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	74%	0.741	S	S	*	*			trans	-145.2	-153.8	-161.3	58	0	0	0	0	109.3
405	P	41	Very low	26	Very low	111 Å²	111	138.8 Å²	138.8	72%	0.721	75%	0.746	S	S	*	*			cis	-140.1	-161.4	-13.4	26.2	0.9	0	0	0	116.1
406	V	24.9	Very low	25.9	Very low	116 Å²	116	136.6 Å²	136.6	70%	0.703	75%	0.748	S	S	*	*			trans	100.1	109.7	145.4	-156	0	0	0	0	123.2
407	T	24	Very low	25.9	Very low	114 Å²	114	135.2 Å²	135.2	70%	0.699	75%	0.752	S	S	*	*			trans	70.8	130.7	137.6	67.2	0	0	0	0	130.6
408	I	24.8	Very low	25.8	Very low	140 Å²	140	136.6 Å²	136.6	72%	0.718	76%	0.762	S	S	*	*				94	133.2	118.1	-74.1	171	0	0	0	126.2
409	E	24	Very low	26.2	Very low	190 Å²	190	135.2 Å²	135.2	89%	0.888	76%	0.76	S	S	*	*			trans	60.7	152.7	154.4	-83.4	166.5	-167.4	0	0	125.6
410	G	22.8	Very low	26.2	Very low	78 Å²	78	136.6 Å²	136.6	80%	0.804	77%	0.768	S	S	*	*			trans	158.2	55.9	162.5	0	0	0	0	0	123.3
411	H	22.7	Very low	26.1	Very low	193 Å²	193	139.8 Å²	139.8	89%	0.894	77%	0.77	S	S	*	*			trans	7.1	142.8	162.2	-93.9	-90.6	0	0	0	126.5
412	I	24.6	Very low	26.1	Very low	150 Å²	150	133 Å²	133	77%	0.769	76%	0.764	S	S	*	*			trans	-66.2	165.2	164.1	5.7	171.6	0	0	0	114.4
413	P	35.8	Very low	24.9	Very low	100 Å²	100	136.1 Å²	136.1	65%	0.649	78%	0.781	S	S	*	*				-165.1	-176.2	65.8	44.6	-21.6	0	0	0	121.8
414	K	22.6	Very low	24.9	Very low	190 Å²	190	133.1 Å²	133.1	83%	0.826	78%	0.781	S	S	*	*			trans	79.5	150.5	143	-91.4	170	-167	173.4	0	120.5
415	I	22.2	Very low	24.8	Very low	145 Å²	145	131.6 Å²	131.6	74%	0.744	78%	0.782	S	S	*	*			cis	-152.2	155.4	-2.8	-21.5	157.5	0	0	0	112.5
416	S	21.4	Very low	23.9	Very low	107 Å²	107	138 Å²	138	75%	0.748	79%	0.792	S	S	*	*			trans	70.5	157.3	145.8	80.4	0	0	0	0	120.1
417	S	23.2	Very low	23.7	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	80%	0.797	S	S	*	*			cis	-159.9	154.7	-10.4	38.8	0	0	0	0	112.8
418	S	21.7	Very low	23.5	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	80%	0.8	S	S	*	*			trans	-70.4	-172.5	171.9	-32.1	0	0	0	0	113.6
419	P	32.7	Very low	23.4	Very low	103 Å²	103	140.2 Å²	140.2	67%	0.669	80%	0.804	S	S	*	*			cis	-146	168.5	3.5	42	-22.5	0	0	0	119.5
420	L	23.2	Very low	23.3	Very low	165 Å²	165	137.6 Å²	137.6	86%	0.864	80%	0.796	S	S	*	*			trans	56.8	146.2	145.1	-66.7	164.5	0	0	0	119.9
421	K	23.3	Very low	23.7	Very low	199 Å²	199	139.3 Å²	139.3	87%	0.865	79%	0.793	S	S	*	*				-171.5	174.3	55.1	-147.6	171.8	-171	177.7	0	111.5
422	A	22.1	Very low	23.8	Very low	87 Å²	87	134.9 Å²	134.9	72%	0.719	79%	0.79	S	S	*	*			trans	-133.8	157.4	177.5	0	0	0	0	0	113.1
423	T	19.9	Very low	24	Very low	154 Å²	154	137.2 Å²	137.2	95%	0.945	80%	0.797	S	S	*	*			trans	-165.3	164.8	154.1	14.9	0	0	0	0	112.8
424	S	22.7	Very low	23.7	Very low	126 Å²	126	142.2 Å²	142.2	88%	0.881	81%	0.808	S	S	*	*			trans	-99.4	164.3	-169.5	53.1	0	0	0	0	116
425	G	21.3	Very low	23.9	Very low	74 Å²	74	142.8 Å²	142.8	76%	0.763	81%	0.811	S	S	*	*			trans	-161.1	148	164	0	0	0	0	0	113
426	W	21.7	Very low	23.9	Very low	244 Å²	244	140.7 Å²	140.7	92%	0.924	82%	0.816	S	S	*	*			trans	-143.3	135.5	-177.4	-122.1	56.9	0	0	0	109.6
427	L	21.2	Very low	24.2	Very low	154 Å²	154	141.9 Å²	141.9	81%	0.806	82%	0.818	S	S	*	*			trans	152.7	152.1	137.7	-83.7	168.5	0	0	0	115.3
428	S	20	Very low	24.2	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	81%	0.81	S	S	*	*			trans	81.4	102.9	156.3	-61.3	0	0	0	0	122.1
429	L	22.9	Very low	24.3	Very low	154 Å²	154	141 Å²	141	81%	0.806	81%	0.811	S	S	*	*			trans	-21.2	157.8	138.2	-57.4	158.9	0	0	0	115.5
430	N	21.7	Very low	24	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	82%	0.819	S	S	*	*			cis	-169	-172.3	4.8	-120.7	-4.5	0	0	0	108.2
431	P	31.3	Very low	24.1	Very low	115 Å²	115	142 Å²	142	75%	0.747	81%	0.811	S	S	*	*				-122.4	161.8	-56.6	37.1	-21.8	0	0	0	112
432	A	24.2	Very low	24.4	Very low	99 Å²	99	137.8 Å²	137.8	82%	0.818	80%	0.803	S	S	*	*			trans	-148	127.8	171.3	0	0	0	0	0	113.4	K434	A432-K434 PolarHBondContact O-N 3.03Å
433	H	29	Very low	24.8	Very low	199 Å²	199	139.1 Å²	139.1	92%	0.921	81%	0.805	S	S	*	*			trans	-67.3	119.5	178.6	-68	-94.2	0	0	0	112.2
434	K	28.7	Very low	25.3	Very low	205 Å²	205	141.4 Å²	141.4	89%	0.891	80%	0.802	S	S	*	*			trans	-134.1	141.9	151.4	-72.8	-168.1	176.6	179.6	0	109.8	A432	A432-K434 PolarHBondContact O-N 3.03Å
435	K	26.7	Very low	25.8	Very low	202 Å²	202	140.9 Å²	140.9	88%	0.878	79%	0.789	S	S	*	*			trans	-68	134.9	-175.9	-63.7	177.7	178.2	-179.3	0	110	V437	K435-V437 PolarHBondContact O-N 3.25Å
436	A	23.7	Very low	26.7	Very low	102 Å²	102	147.1 Å²	147.1	84%	0.843	80%	0.795	S	S	*	*			trans	-68	128.3	167.7	0	0	0	0	0	109.6
437	V	25.9	Very low	27.9	Very low	131 Å²	131	145.1 Å²	145.1	79%	0.794	79%	0.787	S	S	*	*			trans	-91	114.8	160.1	175.9	0	0	0	0	105.8	K435 T439	K435-V437 PolarHBondContact O-N 3.25Å; V437-T439 PolarHBondContact O-N 2.72Å; V437-T439 VanDerWaalsContact O-N 3.09Å
438	A	25.1	Very low	29.3	Very low	75 Å²	75	145.2 Å²	145.2	62%	0.62	78%	0.784	S	S	*	*			trans	-76.2	96	178.9	0	0	0	0	0	109.6	F440	A438-F440 HydrophobicContact CB-CE2 4.42Å; A438-F440 WeakPolarHBondContact O-CD2 3.5Å; A438-F440 PolarHBondContact O-N 2.67Å
439	T	23.2	Very low	31.3	Very low	128 Å²	128	146.3 Å²	146.3	79%	0.785	77%	0.771	S	S	*	*			trans	-67.1	101.8	167.6	-50.2	0	0	0	0	108.2	V437 S441	V437-T439 PolarHBondContact O-N 2.72Å; V437-T439 VanDerWaalsContact O-N 3.09Å; T439-S441 PolarHBondContact O-N 3.37Å
440	F	27.1	Very low	33.8	Very low	191 Å²	191	147.7 Å²	147.7	84%	0.838	77%	0.766	S	S	*	*			trans	-66.3	103.4	175.3	-84.4	-96.5	0	0	0	109.9	A438	A438-F440 HydrophobicContact CB-CE2 4.42Å; A438-F440 WeakPolarHBondContact O-CD2 3.5Å; A438-F440 PolarHBondContact O-N 2.67Å
441	S	25	Very low	36.9	Very low	100 Å²	100	146.3 Å²	146.3	70%	0.699	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-61.3	130.1	159	-59.2	0	0	0	0	108.4	T439	T439-S441 PolarHBondContact O-N 3.37Å
442	P	28.2	Very low	39.6	Very low	109 Å²	109	146.1 Å²	146.1	71%	0.708	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-61.1	147.4	174.5	26.1	-33.8	0	0	0	110	K444	P442-K444 PolarHBondContact O-N 3.1Å
443	P	30.7	Very low	42.9	Very low	116 Å²	116	141.6 Å²	141.6	75%	0.753	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-59.3	128.9	174.6	26.5	-33.6	0	0	0	108.7	N445	P443-N445 PolarHBondContact O-N 2.72Å
444	K	30.4	Very low	46	Very low	202 Å²	202	132.5 Å²	132.5	88%	0.878	66%	0.657	S	S	*	*			trans	-62.9	108.1	173.2	-68.4	-177.4	179.1	-178.7	0	107.9	P442 K446	P442-K444 PolarHBondContact O-N 3.1Å; K444-K446 PolarHBondContact O-N 2.82Å; K444-K446 VanDerWaalsContact O-N 3.1Å
445	N	32.9	Very low	49.2	Very low	114 Å²	114	122.8 Å²	122.8	61%	0.61	61%	0.614	S	S	*	*			trans	-47.5	121.1	171.6	-88.7	-13.6	0	0	0	108.5	D289 P443 R447	D289-N445 PolarHBondContact OD1-ND2 2.99Å; P443-N445 PolarHBondContact O-N 2.72Å; N445-R447 VanDerWaalsContact C-N 3.29Å; N445-R447 PolarHBondContact O-N 2.73Å
446	K	41.1	Very low	52.5	Low	205 Å²	205	114 Å²	114	89%	0.891	58%	0.578	S	S	*	*			trans	-65.4	92.5	174.6	-77.7	-173.3	176	-177.3	0	107.3	K444 Q448	K444-K446 PolarHBondContact O-N 2.82Å; K444-K446 VanDerWaalsContact O-N 3.1Å; K446-Q448 PolarHBondContact O-N 2.96Å; K446-Q448 VanDerWaalsContact O-N 3.13Å
447	R	47.2	Very low	55.8	Low	202 Å²	202	110.5 Å²	110.5	76%	0.762	55%	0.545	S	S	*	.			trans	-46.5	123	168.1	-74.1	-170.7	179	-168.1	1.8	107.2	E264 N445 R449	E264-R447 IonicContact OE2-NH1 3.61Å; E264-R447 PolarHBondContact OE2-NH1 2.84Å; N445-R447 VanDerWaalsContact C-N 3.29Å; N445-R447 PolarHBondContact O-N 2.73Å; R447-R449 PolarHBondContact O-N 3.07Å
448	Q	50.8	Low	59.2	Low	157 Å²	157	104.2 Å²	104.2	73%	0.734	51%	0.507	S	S	*	.			trans	-62.9	114.6	179.6	-72.8	-172.2	-20.8	0	0	108.3	K446 R450	K446-Q448 PolarHBondContact O-N 2.96Å; K446-Q448 VanDerWaalsContact O-N 3.13Å; Q448-R450 PolarHBondContact O-N 2.78Å
449	R	62.2	Low	62.6	Low	131 Å²	131	100.7 Å²	100.7	49%	0.494	48%	0.478	S	S	.	.			trans	-56.1	122.7	172.1	-72	-179.4	176	161	-1.2	107.4	R447 Y451 D859	R447-R449 PolarHBondContact O-N 3.07Å; R449-Y451 HydrophobicContact CB-CE2 3.94Å; R449-Y451 WeakPolarHBondContact O-CD2 3.18Å; R449-Y451 WeakPolarHBondContact O-CE2 2.78Å; R449-D859 IonicContact CZ-OD1 3.73Å; R449-D859 IonicContact CZ-OD2 2.71Å; R449-D859 IonicContact NH1-OD1 2.66Å; R449-D859 IonicContact NH1-OD2 3.5Å; R449-D859 PolarHBondContact NH1-OD2 2.63Å; R449-D859 VanDerWaalsContact NH2-CG 3.31Å; R449-D859 IonicContact NH2-OD1 3.91Å; R449-D859 PolarHBondContact NH2-OD1 2.99Å; R449-D859 IonicContact NH2-OD2 3.84Å; R449-D859 PolarHBondContact NH2-OD2 3.47Å
450	R	75.5	Confident	66.1	Low	184 Å²	184	96.6 Å²	96.6	69%	0.694	45%	0.451	S	S	*	.			trans	-71.7	138.4	170.1	-73	-178.8	174.3	173.8	-0.7	108.6	V262 Q448	V262-R450 HydrophobicContact CB-CB 4.28Å; V262-R450 HydrophobicContact CG2-CB 4.49Å; V262-R450 PolarHBondContact N-O 2.76Å; Q448-R450 PolarHBondContact O-N 2.78Å
451	Y	85.8	Confident	69.4	Low	105 Å²	105	87.5 Å²	87.5	41%	0.412	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.3	-178	-71.5	-74.6	0	0	0	110.4	K259 E260 R449	K259-Y451 HydrophobicContact CB-CD1 4.36Å; K259-Y451 HydrophobicContact CD-CD1 4.01Å; K259-Y451 HydrophobicContact CD-CG 3.94Å; K259-Y451 HydrophobicContact CG-CD1 4.17Å; E260-Y451 WeakPolarHBondContact O-CA 3.42Å; R449-Y451 HydrophobicContact CB-CE2 3.94Å; R449-Y451 WeakPolarHBondContact O-CD2 3.18Å; R449-Y451 WeakPolarHBondContact O-CE2 2.78Å
452	R	89.4	Confident	72.7	Confident	111 Å²	111	83.6 Å²	83.6	42%	0.419	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.9	-179.9	-178.3	-173.9	-170.3	170.3	11.6	109.3	K259 E260 V262 D457	K259-R452 CarbonylContact C-O 3.44Å; K259-R452 WeakPolarHBondContact CA-O 3.24Å; E260-R452 PolarHBondContact N-O 2.69Å; E260-R452 PolarHBondContact O-N 3.38Å; V262-R452 HydrophobicContact CG2-CB 3.58Å; R452-D457 IonicContact CZ-OD1 2.88Å; R452-D457 IonicContact CZ-OD2 2.71Å; R452-D457 VanDerWaalsContact NE-CG 3.3Å; R452-D457 IonicContact NE-OD1 2.68Å; R452-D457 PolarHBondContact NE-OD1 3.22Å; R452-D457 IonicContact NE-OD2 3.78Å; R452-D457 PolarHBondContact NE-OD2 2.83Å; R452-D457 VanDerWaalsContact NE-OD2 3.1Å; R452-D457 IonicContact NH2-OD1 2.7Å; R452-D457 PolarHBondContact NH2-OD1 3.46Å; R452-D457 IonicContact NH2-OD2 3.37Å; R452-D457 PolarHBondContact NH2-OD2 3.06Å
453	S	93	Very high	75.9	Confident	4 Å²	4	79 Å²	79	3%	0.028	35%	0.352	C	S	.	.			trans	-135.9	174	171.4	67.4	0	0	0	0	110.4	H255 L258 I455 S456 D457	H255-S453 PolarHBondContact ND1-OG 3.01Å; L258-S453 WeakPolarHBondContact O-CA 3.42Å; L258-S453 WeakPolarHBondContact O-CB 3.44Å; S453-I455 PolarHBondContact O-N 3.14Å; S453-I455 PolarHBondContact OG-N 3.13Å; S453-S456 PolarHBondContact N-OG 3.12Å; S453-S456 PolarHBondContact O-N 2.83Å; S453-S456 PolarHBondContact O-OG 2.87Å; S453-S456 PolarHBondContact OG-N 3.37Å; S453-D457 PolarHBondContact O-N 3.42Å
454	V	93.7	Very high	79	Confident	9 Å²	9	74.6 Å²	74.6	6%	0.055	32%	0.323	C	S	.	.	H	α-helix	trans	-56.6	-33.7	168.8	64.5	0	0	0	0	111.9	L180 F183 L258 D457 V458	L180-V454 HydrophobicContact CD1-CG1 4.18Å; L180-V454 HydrophobicContact CD1-CG2 4.07Å; F183-V454 HydrophobicContact CB-CG2 3.83Å; F183-V454 HydrophobicContact CD1-CB 3.86Å; F183-V454 HydrophobicContact CD1-CG1 3.81Å; F183-V454 HydrophobicContact CD1-CG2 3.73Å; F183-V454 HydrophobicContact CD2-CB 4.31Å; F183-V454 HydrophobicContact CD2-CG2 4.1Å; F183-V454 HydrophobicContact CE1-CB 3.93Å; F183-V454 HydrophobicContact CE1-CG1 3.73Å; F183-V454 HydrophobicContact CE1-CG2 4.32Å; F183-V454 HydrophobicContact CE2-CB 4.37Å; F183-V454 HydrophobicContact CG-CB 4.06Å; F183-V454 HydrophobicContact CG-CG1 4.5Å; F183-V454 HydrophobicContact CG-CG2 3.6Å; F183-V454 HydrophobicContact CZ-CB 4.19Å; F183-V454 HydrophobicContact CZ-CG1 4.35Å; L258-V454 HydrophobicContact CD1-CG1 3.79Å; V454-D457 PolarHBondContact O-N 2.94Å; V454-V458 HydrophobicContact CG2-CG2 4.09Å; V454-V458 WeakPolarHBondContact O-CB 3.17Å; V454-V458 VanDerWaalsContact O-CG2 3.23Å; V454-V458 WeakPolarHBondContact O-CG2 3.34Å; V454-V458 PolarHBondContact O-N 3.4Å
455	I	95.9	Very high	82	Confident	0 Å²	0	65 Å²	65	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-47.4	179.3	-55.5	-57.5	0	0	0	110.3	L180 M251 L254 H255 S453 D457 V458 F459	L180-I455 HydrophobicContact CD1-CD1 3.76Å; M251-I455 HydrophobicContact CB-CG2 3.93Å; M251-I455 HydrophobicContact CG-CG2 4.44Å; L254-I455 HydrophobicContact CB-CD1 3.79Å; L254-I455 HydrophobicContact CB-CG1 3.73Å; L254-I455 HydrophobicContact CD1-CD1 4.15Å; H255-I455 HydrophobicContact CB-CB 4.16Å; H255-I455 HydrophobicContact CB-CG1 4.39Å; H255-I455 HydrophobicContact CB-CG2 4.4Å; S453-I455 PolarHBondContact O-N 3.14Å; S453-I455 PolarHBondContact OG-N 3.13Å; I455-D457 VanDerWaalsContact C-N 3.35Å; I455-D457 PolarHBondContact O-N 3.5Å; I455-V458 PolarHBondContact O-N 3.42Å; I455-F459 HydrophobicContact CG2-CD2 4.15Å; I455-F459 PolarHBondContact O-N 3.16Å
456	S	94.8	Very high	84.8	Confident	17 Å²	17	61 Å²	61	12%	0.119	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-32.1	177.2	57.8	0	0	0	0	113	S453 V458 D460	S453-S456 PolarHBondContact N-OG 3.12Å; S453-S456 PolarHBondContact O-N 2.83Å; S453-S456 PolarHBondContact O-OG 2.87Å; S453-S456 PolarHBondContact OG-N 3.37Å; S456-V458 VanDerWaalsContact C-N 3.29Å; S456-V458 PolarHBondContact O-N 2.96Å; S456-D460 VanDerWaalsContact CA-CG 3.47Å; S456-D460 WeakPolarHBondContact CA-OD1 3.16Å; S456-D460 VanDerWaalsContact CB-CG 3.48Å; S456-D460 VanDerWaalsContact CB-OD2 3.31Å; S456-D460 WeakPolarHBondContact CB-OD2 3.42Å; S456-D460 WeakPolarHBondContact O-CB 3.41Å; S456-D460 PolarHBondContact O-N 3.18Å
457	D	94.3	Very high	87.4	Confident	29 Å²	29	52.1 Å²	52.1	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-32.9	174.7	-82.9	-27.2	0	0	0	112.7	R452 S453 V454 I455 K739 F743	R452-D457 IonicContact CZ-OD1 2.88Å; R452-D457 IonicContact CZ-OD2 2.71Å; R452-D457 VanDerWaalsContact NE-CG 3.3Å; R452-D457 IonicContact NE-OD1 2.68Å; R452-D457 PolarHBondContact NE-OD1 3.22Å; R452-D457 IonicContact NE-OD2 3.78Å; R452-D457 PolarHBondContact NE-OD2 2.83Å; R452-D457 VanDerWaalsContact NE-OD2 3.1Å; R452-D457 IonicContact NH2-OD1 2.7Å; R452-D457 PolarHBondContact NH2-OD1 3.46Å; R452-D457 IonicContact NH2-OD2 3.37Å; R452-D457 PolarHBondContact NH2-OD2 3.06Å; S453-D457 PolarHBondContact O-N 3.42Å; V454-D457 PolarHBondContact O-N 2.94Å; I455-D457 VanDerWaalsContact C-N 3.35Å; I455-D457 PolarHBondContact O-N 3.5Å; D457-K739 WeakPolarHBondContact OD2-CE 3.4Å; D457-K739 IonicContact OD2-NZ 2.7Å; D457-K739 PolarHBondContact OD2-NZ 3.23Å; D457-F743 HydrophobicContact CB-CZ 4.21Å; D457-F743 VanDerWaalsContact O-CE1 3.25Å; D457-F743 WeakPolarHBondContact O-CE1 3.3Å
458	V	96.9	Very high	89.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-92.2	-42	-174.5	176.2	0	0	0	0	112.1	P179 V454 I455 S456 E600 I601 F743	P179-V458 HydrophobicContact CB-CG1 4.06Å; P179-V458 HydrophobicContact CB-CG2 3.64Å; V454-V458 HydrophobicContact CG2-CG2 4.09Å; V454-V458 WeakPolarHBondContact O-CB 3.17Å; V454-V458 VanDerWaalsContact O-CG2 3.23Å; V454-V458 WeakPolarHBondContact O-CG2 3.34Å; V454-V458 PolarHBondContact O-N 3.4Å; I455-V458 PolarHBondContact O-N 3.42Å; S456-V458 VanDerWaalsContact C-N 3.29Å; S456-V458 PolarHBondContact O-N 2.96Å; V458-E600 PolarHBondContact O-N 2.86Å; V458-I601 HydrophobicContact CG1-CB 3.92Å; V458-I601 HydrophobicContact CG1-CG1 3.49Å; V458-I601 VanDerWaalsContact CG1-CG1 3.49Å; V458-I601 PolarHBondContact O-N 3.2Å; V458-F743 HydrophobicContact CG2-CE2 4.37Å; V458-F743 HydrophobicContact CG2-CZ 3.98Å
459	F	97.6	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-116.8	-21.2	-167.3	-58.1	-78.5	0	0	0	115.7	L174 L180 M251 I455 G461 Q483 P599 I601 F701	L174-F459 HydrophobicContact CD2-CE1 4.31Å; L174-F459 HydrophobicContact CD2-CE2 4.39Å; L174-F459 HydrophobicContact CD2-CZ 3.72Å; L180-F459 HydrophobicContact CD1-CE2 4.39Å; L180-F459 HydrophobicContact CD2-CE2 4.12Å; L180-F459 HydrophobicContact CD2-CZ 4.25Å; M251-F459 HydrophobicContact SD-CD1 4.37Å; M251-F459 HydrophobicContact SD-CD2 4.1Å; M251-F459 HydrophobicContact SD-CE2 4.3Å; M251-F459 HydrophobicContact SD-CG 4.14Å; I455-F459 HydrophobicContact CG2-CD2 4.15Å; I455-F459 PolarHBondContact O-N 3.16Å; F459-G461 PolarHBondContact O-N 3.41Å; F459-G461 VanDerWaalsContact O-N 3.15Å; F459-Q483 HydrophobicContact CB-CB 4.35Å; F459-Q483 HydrophobicContact CB-CG 4.24Å; F459-P599 WeakPolarHBondContact O-CB 3.31Å; F459-I601 HydrophobicContact CD1-CB 3.91Å; F459-I601 HydrophobicContact CD1-CG2 4.01Å; F459-I601 HydrophobicContact CE1-CB 3.79Å; F459-I601 HydrophobicContact CE1-CG1 4.49Å; F459-I601 HydrophobicContact CE1-CG2 3.61Å; F459-F701 HydrophobicContact CE1-CD1 4.2Å; F459-F701 HydrophobicContact CE1-CE1 4.1Å
460	D	96.1	Very high	93.4	Very high	42 Å²	42	35.6 Å²	35.6	23%	0.225	17%	0.165	C	C	.	.			trans	-72.1	112.6	-177.5	-75.2	20.7	0	0	0	110.9	S456 F482 Q483	S456-D460 VanDerWaalsContact CA-CG 3.47Å; S456-D460 WeakPolarHBondContact CA-OD1 3.16Å; S456-D460 VanDerWaalsContact CB-CG 3.48Å; S456-D460 VanDerWaalsContact CB-OD2 3.31Å; S456-D460 WeakPolarHBondContact CB-OD2 3.42Å; S456-D460 WeakPolarHBondContact O-CB 3.41Å; S456-D460 PolarHBondContact O-N 3.18Å; D460-F482 CarbonylContact C-O 3.46Å; D460-F482 WeakPolarHBondContact CA-O 3.43Å; D460-Q483 WeakPolarHBondContact OD1-CG 3.39Å; D460-Q483 PolarHBondContact OD1-NE2 2.93Å
461	G	95.3	Very high	94.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	174	160.9	0	0	0	0	0	111.5	F459 N481 F482	F459-G461 PolarHBondContact O-N 3.41Å; F459-G461 VanDerWaalsContact O-N 3.15Å; G461-N481 WeakPolarHBondContact O-CA 3.37Å; G461-F482 PolarHBondContact N-O 3.16Å; G461-F482 PolarHBondContact O-N 3.28Å
462	T	95.6	Very high	94.6	Very high	18 Å²	18	27 Å²	27	11%	0.11	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.3	172.5	65.6	0	0	0	0	112.5	E480 N481 Q596 N597	T462-E480 CarbonylContact C-O 3.59Å; T462-E480 WeakPolarHBondContact CA-O 3.13Å; T462-N481 WeakPolarHBondContact CG2-OD1 3.33Å; T462-Q596 PolarHBondContact O-N 2.9Å; T462-N597 PolarHBondContact N-O 2.89Å; T462-N597 PolarHBondContact O-N 2.86Å; T462-N597 WeakPolarHBondContact OG1-CB 3.49Å; T462-N597 PolarHBondContact OG1-N 2.93Å; T462-N597 PolarHBondContact OG1-ND2 2.83Å
463	I	95.5	Very high	94.8	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.062	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.1	173.8	-73.5	161.3	0	0	0	108.5	L479 E480 F482 F566 F567 C593 K594	I463-L479 WeakPolarHBondContact O-CA 3.15Å; I463-E480 PolarHBondContact N-O 3.43Å; I463-E480 PolarHBondContact O-N 3.06Å; I463-F482 HydrophobicContact CD1-CD1 3.76Å; I463-F482 HydrophobicContact CD1-CE1 4.06Å; I463-F482 HydrophobicContact CD1-CG 4.5Å; I463-F482 HydrophobicContact CG1-CD1 3.81Å; I463-F482 HydrophobicContact CG1-CE1 3.79Å; I463-F566 HydrophobicContact CD1-CE1 3.92Å; I463-F566 HydrophobicContact CD1-CZ 4.17Å; I463-F567 HydrophobicContact CD1-CE1 4.46Å; I463-F567 HydrophobicContact CD1-CZ 4.46Å; I463-F567 HydrophobicContact CG1-CE1 4.36Å; I463-C593 HydrophobicContact CG2-CB 4.07Å; I463-K594 CarbonylContact C-O 3.58Å; I463-K594 WeakPolarHBondContact CA-O 3.3Å
464	V	94.9	Very high	94.8	Very high	24 Å²	24	31 Å²	31	15%	0.145	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.3	162.7	62.7	0	0	0	0	108.9	V477 L479 C593 K594 Q596 A637	V464-V477 HydrophobicContact CG2-CG1 3.54Å; V464-L479 HydrophobicContact CB-CD2 3.84Å; V464-L479 HydrophobicContact CG2-CD2 4.08Å; V464-C593 CarbonylContact O-C 3.49Å; V464-C593 WeakPolarHBondContact O-CA 3.37Å; V464-K594 HydrophobicContact CG1-CB 3.93Å; V464-K594 PolarHBondContact N-O 3.01Å; V464-K594 PolarHBondContact O-N 2.95Å; V464-Q596 HydrophobicContact CB-CB 4.41Å; V464-Q596 HydrophobicContact CG1-CB 4.48Å; V464-A637 HydrophobicContact CG1-CB 3.94Å
465	S	93.1	Very high	94.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.9	177.2	145.7	0	0	0	0	108.5	V477 T478 E480 K591 F592	S465-V477 CarbonylContact O-C 3.56Å; S465-V477 VanDerWaalsContact O-CA 3.32Å; S465-V477 WeakPolarHBondContact O-CA 3.27Å; S465-T478 WeakPolarHBondContact CB-OG1 3.49Å; S465-T478 PolarHBondContact N-O 3.26Å; S465-T478 PolarHBondContact O-N 3.42Å; S465-T478 PolarHBondContact OG-OG1 3.11Å; S465-E480 WeakPolarHBondContact CB-OE1 3.35Å; S465-E480 PolarHBondContact OG-OE1 3.42Å; S465-K591 WeakPolarHBondContact OG-CE 3.2Å; S465-F592 WeakPolarHBondContact CA-O 3.27Å
466	S	93.3	Very high	94.5	Very high	30 Å²	30	35 Å²	35	21%	0.21	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.4	-176.8	-69.4	0	0	0	0	110.1	S476 K591 F592	S466-S476 WeakPolarHBondContact CA-O 3.45Å; S466-K591 CarbonylContact O-C 2.93Å; S466-K591 WeakPolarHBondContact O-CA 3.35Å; S466-F592 PolarHBondContact N-O 2.83Å; S466-F592 PolarHBondContact O-N 3.43Å
467	V	94.8	Very high	94.4	Very high	17 Å²	17	38.5 Å²	38.5	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.5	179.6	-171.3	0	0	0	0	110.6	V475 S476 L572 Y578 V590 K591	V467-V475 WeakPolarHBondContact O-CA 3.31Å; V467-S476 PolarHBondContact N-O 3.17Å; V467-S476 PolarHBondContact O-N 2.68Å; V467-L572 HydrophobicContact CG1-CD1 3.78Å; V467-L572 HydrophobicContact CG2-CD1 4.36Å; V467-Y578 HydrophobicContact CB-CD2 4.39Å; V467-Y578 HydrophobicContact CB-CE2 4.07Å; V467-Y578 HydrophobicContact CG1-CD1 3.8Å; V467-Y578 HydrophobicContact CG1-CD2 3.79Å; V467-Y578 HydrophobicContact CG1-CE1 3.64Å; V467-Y578 HydrophobicContact CG1-CE2 3.59Å; V467-Y578 HydrophobicContact CG1-CG 3.87Å; V467-V590 VanDerWaalsContact CA-O 3.31Å; V467-V590 WeakPolarHBondContact CA-O 3.22Å; V467-K591 HydrophobicContact CG2-CB 4.23Å; V467-K591 HydrophobicContact CG2-CG 4.05Å
468	Q	95.4	Very high	94.3	Very high	64 Å²	64	40.2 Å²	40.2	30%	0.299	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.6	172.9	-175.9	-179.6	-5.5	0	0	110.7	L470 D473 V475 G589 V590	Q468-L470 PolarHBondContact O-N 2.89Å; Q468-D473 PolarHBondContact NE2-OD1 2.97Å; Q468-V475 HydrophobicContact CB-CG2 4.16Å; Q468-V475 HydrophobicContact CG-CG2 4.25Å; Q468-G589 CarbonylContact O-C 3.45Å; Q468-G589 WeakPolarHBondContact O-CA 3.39Å; Q468-V590 PolarHBondContact N-O 3.15Å; Q468-V590 PolarHBondContact O-N 2.85Å
469	C	95.1	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118	172.4	-170.5	0	0	0	0	111.7	T471 D473 R474 Y578	C469-T471 PolarHBondContact O-N 3.4Å; C469-D473 WeakPolarHBondContact O-CA 3.07Å; C469-D473 PolarHBondContact O-N 2.83Å; C469-R474 PolarHBondContact N-O 2.84Å; C469-Y578 VanDerWaalsContact CA-OH 3.27Å; C469-Y578 WeakPolarHBondContact CA-OH 3.13Å; C469-Y578 HydrophobicContact CB-CE1 4.5Å; C469-Y578 WeakPolarHBondContact CB-OH 3.33Å; C469-Y578 PolarHBondContact N-OH 3.03Å
470	L	94.6	Very high	93.9	Very high	79 Å²	79	49.7 Å²	49.7	41%	0.414	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	16.8	175.3	-62.8	179.6	0	0	0	114	Q468 N588 V590	Q468-L470 PolarHBondContact O-N 2.89Å; L470-N588 HydrophobicContact CB-CB 4.43Å; L470-N588 HydrophobicContact CD1-CB 4.33Å; L470-N588 PolarHBondContact N-O 2.95Å; L470-N588 VanDerWaalsContact N-O 3.08Å; L470-V590 HydrophobicContact CD1-CG2 3.9Å; L470-V590 HydrophobicContact CD2-CG2 3.82Å; L470-V590 HydrophobicContact CG-CG2 4Å
471	T	93.6	Very high	93.7	Very high	84 Å²	84	53 Å²	53	52%	0.515	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	-17.5	-178.6	-50.7	0	0	0	0	113.3	C469	C469-T471 PolarHBondContact O-N 3.4Å
472	C	94.1	Very high	93.7	Very high	24 Å²	24	54.1 Å²	54.1	16%	0.162	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	9.7	-179.6	74.3	0	0	0	0	114.6	R474 C580 K582 C583	C472-R474 PolarHBondContact O-N 3.08Å; C472-C580 VanDerWaalsContact SG-SG 3.65Å; C472-K582 HydrophobicContact CB-CD 4.14Å; C472-K582 PolarHBondContact O-NZ 2.91Å; C472-C583 VanDerWaalsContact SG-SG 3.62Å
473	D	94.1	Very high	93.7	Very high	109 Å²	109	54.2 Å²	54.2	58%	0.583	29%	0.294	S	S	*	.			trans	52.1	10.3	177.4	-65.3	-66.6	0	0	0	117.2	Q468 C469 V475	Q468-D473 PolarHBondContact NE2-OD1 2.97Å; C469-D473 WeakPolarHBondContact O-CA 3.07Å; C469-D473 PolarHBondContact O-N 2.83Å; D473-V475 PolarHBondContact O-N 3.25Å
474	R	92.4	Very high	93.8	Very high	92 Å²	92	54.1 Å²	54.1	35%	0.347	29%	0.293	S	S	.	.			trans	-67	124.2	168.6	-178.2	169.4	-178.1	-157.5	-13.7	109.1	C469 C472 E581 K582	C469-R474 PolarHBondContact N-O 2.84Å; C472-R474 PolarHBondContact O-N 3.08Å; R474-E581 IonicContact CZ-OE1 3.94Å; R474-E581 IonicContact CZ-OE2 2.73Å; R474-E581 VanDerWaalsContact NH1-CB 3.27Å; R474-E581 IonicContact NH1-OE1 3.17Å; R474-E581 IonicContact NH1-OE2 2.68Å; R474-E581 PolarHBondContact NH1-OE2 3.1Å; R474-E581 IonicContact NH2-OE1 3.35Å; R474-E581 PolarHBondContact NH2-OE1 3.09Å; R474-E581 VanDerWaalsContact NH2-OE1 3.08Å; R474-E581 IonicContact NH2-OE2 2.84Å; R474-E581 PolarHBondContact NH2-OE2 3.22Å; R474-K582 HydrophobicContact CB-CB 4.33Å; R474-K582 HydrophobicContact CB-CD 3.92Å
475	V	92.8	Very high	93.8	Very high	73 Å²	73	53.1 Å²	53.1	44%	0.442	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.8	160.8	-174.4	0	0	0	0	107.8	V467 Q468 D473 V477	V467-V475 WeakPolarHBondContact O-CA 3.31Å; Q468-V475 HydrophobicContact CB-CG2 4.16Å; Q468-V475 HydrophobicContact CG-CG2 4.25Å; D473-V475 PolarHBondContact O-N 3.25Å; V475-V477 HydrophobicContact CG1-CG2 4Å
476	S	91.3	Very high	94	Very high	19 Å²	19	54.3 Å²	54.3	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.1	163.1	-65	0	0	0	0	108.1	S466 V467 E581	S466-S476 WeakPolarHBondContact CA-O 3.45Å; V467-S476 PolarHBondContact N-O 3.17Å; V467-S476 PolarHBondContact O-N 2.68Å; S476-E581 WeakPolarHBondContact CB-OE1 3.47Å; S476-E581 PolarHBondContact OG-OE1 2.93Å
477	V	91.8	Very high	94.2	Very high	91 Å²	91	52.9 Å²	52.9	55%	0.552	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.3	-176	-176.4	0	0	0	0	109	V464 S465 V475	V464-V477 HydrophobicContact CG2-CG1 3.54Å; S465-V477 CarbonylContact O-C 3.56Å; S465-V477 VanDerWaalsContact O-CA 3.32Å; S465-V477 WeakPolarHBondContact O-CA 3.27Å; V475-V477 HydrophobicContact CG1-CG2 4Å
478	T	92	Very high	94.1	Very high	65 Å²	65	54.4 Å²	54.4	40%	0.399	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.5	174.7	48.4	0	0	0	0	110.1	S465 E480	S465-T478 WeakPolarHBondContact CB-OG1 3.49Å; S465-T478 PolarHBondContact N-O 3.26Å; S465-T478 PolarHBondContact O-N 3.42Å; S465-T478 PolarHBondContact OG-OG1 3.11Å; T478-E480 WeakPolarHBondContact CB-OE1 3.22Å; T478-E480 PolarHBondContact OG1-OE1 3.36Å
479	L	93	Very high	94.1	Very high	122 Å²	122	51.8 Å²	51.8	64%	0.639	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.4	166.7	-70.5	173.3	0	0	0	107.7	I463 V464 Q596	I463-L479 WeakPolarHBondContact O-CA 3.15Å; V464-L479 HydrophobicContact CB-CD2 3.84Å; V464-L479 HydrophobicContact CG2-CD2 4.08Å; L479-Q596 HydrophobicContact CD2-CB 4.48Å; L479-Q596 HydrophobicContact CD2-CG 4.37Å
480	E	92.3	Very high	93.9	Very high	76 Å²	76	52.4 Å²	52.4	36%	0.355	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.8	-172.7	-74.3	157.7	-140.8	0	0	108.3	T462 I463 S465 T478 K591	T462-E480 CarbonylContact C-O 3.59Å; T462-E480 WeakPolarHBondContact CA-O 3.13Å; I463-E480 PolarHBondContact N-O 3.43Å; I463-E480 PolarHBondContact O-N 3.06Å; S465-E480 WeakPolarHBondContact CB-OE1 3.35Å; S465-E480 PolarHBondContact OG-OE1 3.42Å; T478-E480 WeakPolarHBondContact CB-OE1 3.22Å; T478-E480 PolarHBondContact OG1-OE1 3.36Å; E480-K591 IonicContact OE2-NZ 3.85Å
481	N	93.8	Very high	93.5	Very high	113 Å²	113	50.1 Å²	50.1	60%	0.604	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.6	173.6	-73.7	35.1	0	0	0	110.4	G461 T462	G461-N481 WeakPolarHBondContact O-CA 3.37Å; T462-N481 WeakPolarHBondContact CG2-OD1 3.33Å
482	F	95	Very high	93	Very high	22 Å²	22	54.5 Å²	54.5	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.8	174.5	70.4	-93.4	0	0	0	111.4	D460 G461 I463 I485 P599 L602	D460-F482 CarbonylContact C-O 3.46Å; D460-F482 WeakPolarHBondContact CA-O 3.43Å; G461-F482 PolarHBondContact N-O 3.16Å; G461-F482 PolarHBondContact O-N 3.28Å; I463-F482 HydrophobicContact CD1-CD1 3.76Å; I463-F482 HydrophobicContact CD1-CE1 4.06Å; I463-F482 HydrophobicContact CD1-CG 4.5Å; I463-F482 HydrophobicContact CG1-CD1 3.81Å; I463-F482 HydrophobicContact CG1-CE1 3.79Å; F482-I485 HydrophobicContact CD2-CD1 4.13Å; F482-I485 HydrophobicContact CD2-CG1 3.49Å; F482-I485 VanDerWaalsContact CD2-CG1 3.49Å; F482-I485 HydrophobicContact CE1-CD1 4.25Å; F482-I485 HydrophobicContact CE2-CD1 3.66Å; F482-I485 HydrophobicContact CE2-CG1 3.48Å; F482-I485 VanDerWaalsContact CE2-CG1 3.48Å; F482-I485 HydrophobicContact CG-CG1 4.08Å; F482-I485 HydrophobicContact CZ-CD1 3.72Å; F482-I485 HydrophobicContact CZ-CG1 4.03Å; F482-P599 HydrophobicContact CE2-CG 4.22Å; F482-P599 HydrophobicContact CZ-CG 4.44Å; F482-L602 HydrophobicContact CE2-CD1 4.03Å; F482-L602 HydrophobicContact CZ-CD1 4.41Å
483	Q	95.6	Very high	92.4	Very high	21 Å²	21	60.1 Å²	60.1	10%	0.098	32%	0.319	C	S	.	.	S	Bend	trans	-106.1	-30.1	167.4	-74.7	174.4	3.4	0	0	112.2	M251 F459 D460 C603	M251-Q483 HydrophobicContact CE-CB 4.09Å; F459-Q483 HydrophobicContact CB-CB 4.35Å; F459-Q483 HydrophobicContact CB-CG 4.24Å; D460-Q483 WeakPolarHBondContact OD1-CG 3.39Å; D460-Q483 PolarHBondContact OD1-NE2 2.93Å; Q483-C603 WeakPolarHBondContact O-CB 3.32Å
484	D	96.1	Very high	91.7	Very high	9 Å²	9	58 Å²	58	5%	0.048	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.5	168.3	79.6	-80.5	0	0	0	110.7	Q244 R248 S486 C603	Q244-D484 PolarHBondContact NE2-OD1 2.72Å; Q244-D484 PolarHBondContact NE2-OD2 2.67Å; R248-D484 WeakPolarHBondContact CD-OD1 3.44Å; R248-D484 IonicContact CZ-OD1 3.73Å; R248-D484 IonicContact NE-OD1 3.31Å; R248-D484 IonicContact NH1-OD1 2.67Å; R248-D484 PolarHBondContact NH1-OD1 3.44Å; D484-S486 PolarHBondContact OD2-OG 2.96Å; D484-C603 WeakPolarHBondContact CA-O 3.33Å; D484-C603 HydrophobicContact CB-CB 4.02Å
485	I	96.3	Very high	91.3	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.7	167.8	-50.8	-176.4	0	0	0	109	F482 L487 F566 M595 L602 C603 H605	F482-I485 HydrophobicContact CD2-CD1 4.13Å; F482-I485 HydrophobicContact CD2-CG1 3.49Å; F482-I485 VanDerWaalsContact CD2-CG1 3.49Å; F482-I485 HydrophobicContact CE1-CD1 4.25Å; F482-I485 HydrophobicContact CE2-CD1 3.66Å; F482-I485 HydrophobicContact CE2-CG1 3.48Å; F482-I485 VanDerWaalsContact CE2-CG1 3.48Å; F482-I485 HydrophobicContact CG-CG1 4.08Å; F482-I485 HydrophobicContact CZ-CD1 3.72Å; F482-I485 HydrophobicContact CZ-CG1 4.03Å; I485-L487 HydrophobicContact CG2-CD2 3.57Å; I485-L487 HydrophobicContact CG2-CG 4.23Å; I485-L487 PolarHBondContact O-N 3.25Å; I485-F566 HydrophobicContact CG2-CD1 4.19Å; I485-F566 HydrophobicContact CG2-CD2 4.25Å; I485-F566 HydrophobicContact CG2-CE1 3.88Å; I485-F566 HydrophobicContact CG2-CE2 3.94Å; I485-F566 HydrophobicContact CG2-CG 4.37Å; I485-F566 HydrophobicContact CG2-CZ 3.75Å; I485-M595 HydrophobicContact CD1-CE 3.58Å; I485-L602 HydrophobicContact CD1-CD1 4.11Å; I485-C603 PolarHBondContact N-O 3.4Å; I485-H605 PolarHBondContact O-N 2.77Å
486	S	97	Very high	90.7	Very high	27 Å²	27	53.5 Å²	53.5	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	89.8	177.4	-66.4	0	0	0	0	111.6	Q244 D484 H605 K607	Q244-S486 PolarHBondContact NE2-OG 2.9Å; D484-S486 PolarHBondContact OD2-OG 2.96Å; S486-H605 CarbonylContact C-O 3.52Å; S486-H605 WeakPolarHBondContact CA-O 3.22Å; S486-H605 WeakPolarHBondContact CB-ND1 3.48Å; S486-H605 PolarHBondContact OG-ND1 2.67Å; S486-K607 WeakPolarHBondContact O-CE 3.5Å; S486-K607 PolarHBondContact O-NZ 2.84Å; S486-K607 VanDerWaalsContact O-NZ 3.13Å
487	L	96.4	Very high	90.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.6	-175.1	-58.7	178	0	0	0	113.3	I485 L559 C562 L563 F566 I604 H605 L606 K607	I485-L487 HydrophobicContact CG2-CD2 3.57Å; I485-L487 HydrophobicContact CG2-CG 4.23Å; I485-L487 PolarHBondContact O-N 3.25Å; L487-L559 HydrophobicContact CD1-CD1 4.04Å; L487-C562 HydrophobicContact CB-CB 4.2Å; L487-C562 HydrophobicContact CD1-CB 3.92Å; L487-L563 HydrophobicContact CD1-CD2 3.91Å; L487-L563 HydrophobicContact CD1-CG 3.91Å; L487-L563 HydrophobicContact CD2-CD2 3.99Å; L487-F566 HydrophobicContact CD2-CB 3.48Å; L487-F566 VanDerWaalsContact CD2-CB 3.48Å; L487-F566 HydrophobicContact CD2-CD1 4.29Å; L487-F566 HydrophobicContact CD2-CD2 3.97Å; L487-F566 HydrophobicContact CD2-CG 3.66Å; L487-I604 HydrophobicContact CD1-CG2 3.47Å; L487-I604 VanDerWaalsContact CD1-CG2 3.47Å; L487-I604 HydrophobicContact CG-CG2 3.89Å; L487-H605 PolarHBondContact N-O 3.45Å; L487-L606 HydrophobicContact CB-CD2 4.23Å; L487-L606 HydrophobicContact CD1-CD2 4.34Å; L487-K607 WeakPolarHBondContact O-CB 3.36Å; L487-K607 WeakPolarHBondContact O-CG 3.5Å; L487-K607 PolarHBondContact O-N 3.28Å
488	P	94.4	Very high	89.8	Confident	49 Å²	49	55 Å²	55	32%	0.318	29%	0.294	S	S	.	.			trans	-74.9	145	166.5	33.4	-33.1	0	0	0	111	P490 A565	P488-P490 WeakPolarHBondContact O-CD 3.23Å; P488-A565 HydrophobicContact CG-CB 4.19Å
489	I	94	Very high	89.2	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.046	29%	0.294	C	S	.	.			trans	-88.4	114.2	166.5	-57	174.9	0	0	0	107.5	L606 R608 I619 T621 V623	I489-L606 HydrophobicContact CD1-CB 4.35Å; I489-L606 HydrophobicContact CG1-CB 4.45Å; I489-R608 HydrophobicContact CD1-CG 3.86Å; I489-I619 HydrophobicContact CB-CG2 4.43Å; I489-I619 HydrophobicContact CD1-CB 4.35Å; I489-I619 HydrophobicContact CD1-CG2 4Å; I489-I619 HydrophobicContact CG2-CG2 4.29Å; I489-T621 HydrophobicContact CG2-CG2 4.21Å; I489-V623 HydrophobicContact CD1-CG2 4.2Å; I489-V623 HydrophobicContact CG1-CG2 4.24Å; I489-V623 HydrophobicContact CG2-CG2 4.02Å
490	P	91.1	Very high	88.3	Confident	13 Å²	13	53 Å²	53	8%	0.084	28%	0.284	C	S	.	.			trans	-72.4	146.8	-174.7	29.1	-35.4	0	0	0	112.7	P488 D494 L495 L498 V557 D561 A565	P488-P490 WeakPolarHBondContact O-CD 3.23Å; P490-D494 HydrophobicContact CB-CB 4Å; P490-L495 HydrophobicContact CB-CD2 4.43Å; P490-L495 HydrophobicContact CB-CG 4.18Å; P490-L495 HydrophobicContact CG-CD2 3.8Å; P490-L495 HydrophobicContact CG-CG 3.98Å; P490-L498 HydrophobicContact CB-CD1 4.37Å; P490-V557 HydrophobicContact CG-CG1 3.96Å; P490-D561 HydrophobicContact CG-CB 4.41Å; P490-A565 HydrophobicContact CB-CB 4.37Å
491	G	86.3	Confident	86.8	Confident	31 Å²	31	51.9 Å²	51.9	32%	0.32	29%	0.288	S	S	.	.			trans	-76.2	169.7	173.4	0	0	0	0	0	112.9	E493 D494 L495	G491-E493 PolarHBondContact O-N 3.13Å; G491-D494 PolarHBondContact N-OD2 2.85Å; G491-D494 VanDerWaalsContact N-OD2 3.11Å; G491-D494 PolarHBondContact O-N 3.1Å; G491-L495 WeakPolarHBondContact O-CG 3.23Å; G491-L495 PolarHBondContact O-N 2.75Å
492	K	82.7	Confident	84.9	Confident	175 Å²	175	50.1 Å²	50.1	76%	0.761	28%	0.284	S	S	*	.	H	α-helix	trans	-56.5	-35.9	177.4	-68.5	-167.9	176.1	-167.8	0	112.8	A496	K492-A496 PolarHBondContact O-N 3.01Å
493	E	81	Confident	82.3	Confident	142 Å²	142	56.2 Å²	56.2	66%	0.664	31%	0.313	S	S	*	.	H	α-helix	trans	-71.8	-36.5	175.1	-63.8	-175.5	-167.9	0	0	112.8	G491 A496 K497	G491-E493 PolarHBondContact O-N 3.13Å; E493-A496 WeakPolarHBondContact O-CB 3.34Å; E493-A496 PolarHBondContact O-N 3.05Å; E493-K497 WeakPolarHBondContact O-CE 3.39Å; E493-K497 VanDerWaalsContact O-CG 3.31Å; E493-K497 WeakPolarHBondContact O-CG 3.27Å; E493-K497 PolarHBondContact O-N 3.16Å; E493-K497 IonicContact OE2-NZ 2.61Å
494	D	80.7	Confident	79.3	Confident	66 Å²	66	62.3 Å²	62.3	35%	0.353	34%	0.342	S	S	.	.	H	α-helix	trans	-74.5	-36	-176.8	-51	-48.7	0	0	0	111.1	P490 G491 A496 K497 L498	P490-D494 HydrophobicContact CB-CB 4Å; G491-D494 PolarHBondContact N-OD2 2.85Å; G491-D494 VanDerWaalsContact N-OD2 3.11Å; G491-D494 PolarHBondContact O-N 3.1Å; D494-A496 VanDerWaalsContact C-N 3.32Å; D494-A496 PolarHBondContact O-N 3.31Å; D494-K497 WeakPolarHBondContact O-CB 3.46Å; D494-K497 PolarHBondContact O-N 2.81Å; D494-K497 VanDerWaalsContact O-N 3.16Å; D494-K497 IonicContact OD1-NZ 2.74Å; D494-K497 PolarHBondContact OD1-NZ 2.83Å; D494-L498 WeakPolarHBondContact O-CB 3.32Å; D494-L498 VanDerWaalsContact O-CG 3.26Å; D494-L498 WeakPolarHBondContact O-CG 3.45Å; D494-L498 PolarHBondContact O-N 2.8Å
495	L	83.4	Confident	76.3	Confident	9 Å²	9	67.8 Å²	67.8	5%	0.047	38%	0.376	C	S	.	.	H	α-helix	trans	-57.4	-44.7	167.5	-71.5	160.4	0	0	0	111.4	P490 G491 K497 L498 H499 V557 D561	P490-L495 HydrophobicContact CB-CD2 4.43Å; P490-L495 HydrophobicContact CB-CG 4.18Å; P490-L495 HydrophobicContact CG-CD2 3.8Å; P490-L495 HydrophobicContact CG-CG 3.98Å; G491-L495 WeakPolarHBondContact O-CG 3.23Å; G491-L495 PolarHBondContact O-N 2.75Å; L495-K497 VanDerWaalsContact C-N 3.33Å; L495-K497 PolarHBondContact O-N 3.07Å; L495-L498 PolarHBondContact O-N 3.27Å; L495-H499 WeakPolarHBondContact O-CB 3.45Å; L495-H499 PolarHBondContact O-N 2.59Å; L495-V557 HydrophobicContact CD1-CG2 3.85Å; L495-V557 HydrophobicContact CD2-CG1 4.41Å; L495-D561 HydrophobicContact CD2-CB 3.61Å
496	A	81.1	Confident	73.1	Confident	61 Å²	61	72.2 Å²	72.2	50%	0.504	41%	0.407	S	S	.	.	H	α-helix	trans	-64	-35.5	175.5	0	0	0	0	0	112.8	K492 E493 D494 S500	K492-A496 PolarHBondContact O-N 3.01Å; E493-A496 WeakPolarHBondContact O-CB 3.34Å; E493-A496 PolarHBondContact O-N 3.05Å; D494-A496 VanDerWaalsContact C-N 3.32Å; D494-A496 PolarHBondContact O-N 3.31Å; A496-S500 WeakPolarHBondContact O-CB 3.3Å; A496-S500 PolarHBondContact O-N 2.96Å; A496-S500 VanDerWaalsContact O-N 3.13Å; A496-S500 PolarHBondContact O-OG 3.03Å
497	K	81.9	Confident	70	Confident	108 Å²	108	78.3 Å²	78.3	47%	0.47	44%	0.436	S	S	.	.	H	α-helix	trans	-66.2	-45.7	172.5	-65.2	162.1	-150.7	161.4	0	111.2	E493 D494 L495 S500 A501	E493-K497 WeakPolarHBondContact O-CE 3.39Å; E493-K497 VanDerWaalsContact O-CG 3.31Å; E493-K497 WeakPolarHBondContact O-CG 3.27Å; E493-K497 PolarHBondContact O-N 3.16Å; E493-K497 IonicContact OE2-NZ 2.61Å; D494-K497 WeakPolarHBondContact O-CB 3.46Å; D494-K497 PolarHBondContact O-N 2.81Å; D494-K497 VanDerWaalsContact O-N 3.16Å; D494-K497 IonicContact OD1-NZ 2.74Å; D494-K497 PolarHBondContact OD1-NZ 2.83Å; L495-K497 VanDerWaalsContact C-N 3.33Å; L495-K497 PolarHBondContact O-N 3.07Å; K497-S500 PolarHBondContact O-N 3.27Å; K497-S500 PolarHBondContact O-OG 3.46Å; K497-S500 VanDerWaalsContact O-OG 3.11Å; K497-A501 WeakPolarHBondContact O-CB 3.45Å; K497-A501 PolarHBondContact O-N 2.99Å
498	L	81.3	Confident	66.8	Low	32 Å²	32	84.9 Å²	84.9	17%	0.168	48%	0.476	C	S	.	.	H	α-helix	trans	-64	-46.6	179.9	-70.5	164.3	0	0	0	112	P490 D494 L495 S500 A501 S502 A564 A565 A568	P490-L498 HydrophobicContact CB-CD1 4.37Å; D494-L498 WeakPolarHBondContact O-CB 3.32Å; D494-L498 VanDerWaalsContact O-CG 3.26Å; D494-L498 WeakPolarHBondContact O-CG 3.45Å; D494-L498 PolarHBondContact O-N 2.8Å; L495-L498 PolarHBondContact O-N 3.27Å; L498-S500 VanDerWaalsContact C-N 3.33Å; L498-S500 PolarHBondContact O-N 3.28Å; L498-A501 PolarHBondContact O-N 3.48Å; L498-S502 PolarHBondContact O-N 3.36Å; L498-S502 VanDerWaalsContact O-N 3.08Å; L498-S502 PolarHBondContact O-OG 2.91Å; L498-A564 HydrophobicContact CD2-CB 4.46Å; L498-A565 HydrophobicContact CD1-CB 3.87Å; L498-A568 HydrophobicContact CD2-CB 4.35Å
499	H	78.8	Confident	63.5	Low	83 Å²	83	92.4 Å²	92.4	38%	0.384	50%	0.504	S	S	.	.	H	α-helix	trans	-71.6	-24.7	-179.7	-65.4	-178.6	0	0	0	113	L495 S502 H503 D561	L495-H499 WeakPolarHBondContact O-CB 3.45Å; L495-H499 PolarHBondContact O-N 2.59Å; H499-S502 PolarHBondContact O-OG 3.32Å; H499-H503 PolarHBondContact O-CD2 3.28Å; H499-D561 IonicContact CD2-OD1 3.75Å; H499-D561 IonicContact CE1-OD1 3.4Å; H499-D561 IonicContact NE2-OD1 2.83Å; H499-D561 PolarHBondContact NE2-OD1 3.32Å
500	S	74.6	Confident	60.4	Low	63 Å²	63	97 Å²	97	44%	0.441	54%	0.543	S	S	.	.	H	α-helix	trans	-83.8	-34.5	171.4	55.2	0	0	0	0	113	A496 K497 L498 H503 Q504	A496-S500 WeakPolarHBondContact O-CB 3.3Å; A496-S500 PolarHBondContact O-N 2.96Å; A496-S500 VanDerWaalsContact O-N 3.13Å; A496-S500 PolarHBondContact O-OG 3.03Å; K497-S500 PolarHBondContact O-N 3.27Å; K497-S500 PolarHBondContact O-OG 3.46Å; K497-S500 VanDerWaalsContact O-OG 3.11Å; L498-S500 VanDerWaalsContact C-N 3.33Å; L498-S500 PolarHBondContact O-N 3.28Å; S500-H503 PolarHBondContact O-N 3.27Å; S500-Q504 PolarHBondContact O-N 3.06Å
501	A	61.6	Low	57.3	Low	52 Å²	52	99.8 Å²	99.8	43%	0.43	57%	0.574	S	S	.	*	H	α-helix	trans	-65.1	-40.9	175.9	0	0	0	0	0	112.5	K497 L498 H503 Q504 T505	K497-A501 WeakPolarHBondContact O-CB 3.45Å; K497-A501 PolarHBondContact O-N 2.99Å; L498-A501 PolarHBondContact O-N 3.48Å; A501-H503 PolarHBondContact O-N 3.37Å; A501-Q504 PolarHBondContact O-N 3.26Å; A501-T505 PolarHBondContact O-N 2.92Å; A501-T505 PolarHBondContact O-OG1 3.1Å
502	S	52.9	Low	54.4	Low	76 Å²	76	103.7 Å²	103.7	53%	0.531	60%	0.596	S	S	.	*	H	α-helix	trans	-61.6	-30.9	177.6	63	0	0	0	0	112.9	L498 H499 T505	L498-S502 PolarHBondContact O-N 3.36Å; L498-S502 VanDerWaalsContact O-N 3.08Å; L498-S502 PolarHBondContact O-OG 2.91Å; H499-S502 PolarHBondContact O-OG 3.32Å; S502-T505 PolarHBondContact O-OG1 2.94Å
503	H	40.9	Very low	51.7	Low	151 Å²	151	101.2 Å²	101.2	70%	0.699	60%	0.6	S	S	*	*	H	α-helix	trans	-75.2	-30.7	171.9	-74.7	-51.1	0	0	0	113.6	H499 S500 A501 T505 S506	H499-H503 PolarHBondContact O-CD2 3.28Å; S500-H503 PolarHBondContact O-N 3.27Å; A501-H503 PolarHBondContact O-N 3.37Å; H503-T505 VanDerWaalsContact C-N 3.31Å; H503-T505 PolarHBondContact O-N 3.39Å; H503-S506 PolarHBondContact O-OG 3.23Å
504	Q	33.2	Very low	49.1	Very low	149 Å²	149	97.6 Å²	97.6	70%	0.696	60%	0.601	S	S	*	*	H	α-helix	trans	-74.3	-14.9	-179.5	-76.4	-169.5	-10	0	0	114.6	S500 A501 S506 L507	S500-Q504 PolarHBondContact O-N 3.06Å; A501-Q504 PolarHBondContact O-N 3.26Å; Q504-S506 PolarHBondContact O-N 3.17Å; Q504-L507 PolarHBondContact O-N 3.37Å
505	T	33	Very low	46.5	Very low	124 Å²	124	104.3 Å²	104.3	76%	0.761	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	0.3	176.4	-8.3	0	0	0	0	115.3	A501 S502 H503	A501-T505 PolarHBondContact O-N 2.92Å; A501-T505 PolarHBondContact O-OG1 3.1Å; S502-T505 PolarHBondContact O-OG1 2.94Å; H503-T505 VanDerWaalsContact C-N 3.31Å; H503-T505 PolarHBondContact O-N 3.39Å
506	S	29.3	Very low	43.7	Very low	97 Å²	97	107.9 Å²	107.9	68%	0.678	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-8.9	179.9	59.5	0	0	0	0	115.4	H503 Q504	H503-S506 PolarHBondContact O-OG 3.23Å; Q504-S506 PolarHBondContact O-N 3.17Å
507	L	30.5	Very low	41.2	Very low	154 Å²	154	116 Å²	116	81%	0.806	68%	0.68	S	S	*	*			trans	-126	41.4	-168.9	-86.2	173.2	0	0	0	115.9	Q504	Q504-L507 PolarHBondContact O-N 3.37Å
508	V	29.8	Very low	38.7	Very low	138 Å²	138	116 Å²	116	84%	0.836	70%	0.7	S	S	*	*	S	Bend	trans	-117.8	79.4	163.7	-172.1	0	0	0	0	111	A510	V508-A510 PolarHBondContact O-N 2.79Å; V508-A510 VanDerWaalsContact O-N 3.13Å
509	K	26	Very low	36.4	Very low	208 Å²	208	118.8 Å²	118.8	90%	0.904	73%	0.728	S	S	*	*			trans	17.4	76.1	159.1	-160.9	177.7	-175.6	178.6	0	117.6
510	A	28.9	Very low	34.1	Very low	105 Å²	105	123.1 Å²	123.1	87%	0.868	75%	0.749	S	S	*	*			trans	-71.3	149.1	155	0	0	0	0	0	110.4	V508	V508-A510 PolarHBondContact O-N 2.79Å; V508-A510 VanDerWaalsContact O-N 3.13Å
511	G	24.8	Very low	32.5	Very low	71 Å²	71	122.6 Å²	122.6	73%	0.732	75%	0.753	S	S	*	*			trans	-127.8	138.9	177.3	0	0	0	0	0	112.1
512	S	25.5	Very low	31.4	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	77%	0.771	S	S	*	*	S	Bend	trans	80.3	125.6	179.1	-159.7	0	0	0	0	117.3
513	C	27.5	Very low	30.9	Very low	123 Å²	123	131.4 Å²	131.4	83%	0.831	77%	0.77	S	S	*	*			trans	39.8	128.6	158.8	59.4	0	0	0	0	121.2
514	G	26.4	Very low	30.9	Very low	67 Å²	67	125.6 Å²	125.6	69%	0.691	75%	0.749	S	S	*	*			cis	147	112.3	-9.6	0	0	0	0	0	114.3
515	E	24.4	Very low	31.3	Very low	206 Å²	206	126.1 Å²	126.1	96%	0.963	75%	0.749	S	S	*	*			trans	59.5	140.7	163.6	-55.9	-177.5	140.7	0	0	117.6
516	A	25.7	Very low	31.8	Very low	85 Å²	85	123.5 Å²	123.5	70%	0.702	73%	0.733	S	S	*	*	S	Bend	cis	-136.2	164.6	-0	0	0	0	0	0	108.2
517	Y	28.6	Very low	32.3	Very low	231 Å²	231	124.4 Å²	124.4	91%	0.906	73%	0.728	S	S	*	*			cis	-129.2	142.5	26.6	-78.4	-112.2	0	0	0	112.3
518	A	30	Very low	32.9	Very low	107 Å²	107	121.7 Å²	121.7	88%	0.884	71%	0.711	S	S	*	*			trans	-129.1	88.2	173.4	0	0	0	0	0	111.1
519	A	31.4	Very low	33.5	Very low	92 Å²	92	122.2 Å²	122.2	76%	0.76	70%	0.699	S	S	*	*			trans	-158.7	77.9	172.8	0	0	0	0	0	112.3
520	Q	31.9	Very low	34.4	Very low	174 Å²	174	116 Å²	116	81%	0.813	67%	0.674	S	S	*	*			trans	-176.6	85.5	152	-101.5	173.7	17.6	0	0	109.8	A524	Q520-A524 HydrophobicContact CB-CB 3.69Å; Q520-A524 HydrophobicContact CG-CB 3.56Å
521	G	40.5	Very low	34.9	Very low	52 Å²	52	119 Å²	119	54%	0.536	66%	0.664	S	S	.	*			trans	-75.8	171.8	172.4	0	0	0	0	0	112.7	I523 A524	G521-I523 PolarHBondContact O-N 2.92Å; G521-A524 WeakPolarHBondContact O-CB 3.35Å; G521-A524 PolarHBondContact O-N 3.47Å
522	W	37.8	Very low	35.9	Very low	211 Å²	211	124.2 Å²	124.2	80%	0.799	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-14.5	-49.6	178.1	69.5	-48.3	0	0	0	119	A524 F525 V526	W522-A524 PolarHBondContact O-N 3.38Å; W522-A524 VanDerWaalsContact O-N 3.13Å; W522-F525 PolarHBondContact O-N 3.02Å; W522-F525 VanDerWaalsContact O-N 3.08Å; W522-V526 WeakPolarHBondContact O-CG2 3.42Å; W522-V526 PolarHBondContact O-N 3.19Å
523	I	42	Very low	36.5	Very low	102 Å²	102	123.8 Å²	123.8	52%	0.523	65%	0.645	S	S	.	*	H	α-helix	trans	-50	-36.1	175.1	-64.4	159.9	0	0	0	112.1	G521 M527	G521-I523 PolarHBondContact O-N 2.92Å; I523-M527 HydrophobicContact CG2-CG 4.07Å; I523-M527 WeakPolarHBondContact O-CB 3.33Å; I523-M527 WeakPolarHBondContact O-CG 3.4Å; I523-M527 PolarHBondContact O-N 3.38Å
524	A	41.7	Very low	37	Very low	29 Å²	29	122.7 Å²	122.7	24%	0.24	63%	0.634	C	S	.	*	H	α-helix	trans	-68.3	-47.3	177.7	0	0	0	0	0	112.5	Q520 G521 W522 M527 E528	Q520-A524 HydrophobicContact CB-CB 3.69Å; Q520-A524 HydrophobicContact CG-CB 3.56Å; G521-A524 WeakPolarHBondContact O-CB 3.35Å; G521-A524 PolarHBondContact O-N 3.47Å; W522-A524 PolarHBondContact O-N 3.38Å; W522-A524 VanDerWaalsContact O-N 3.13Å; A524-M527 PolarHBondContact O-N 2.95Å; A524-E528 VanDerWaalsContact O-CB 3.25Å; A524-E528 WeakPolarHBondContact O-CB 3.31Å; A524-E528 PolarHBondContact O-N 3.21Å
525	F	42	Very low	37.4	Very low	159 Å²	159	124.8 Å²	124.8	70%	0.697	63%	0.634	S	S	*	*	H	α-helix	trans	-64.7	-42.5	176.6	-171.8	-95.2	0	0	0	111.3	W522 E528 Y529	W522-F525 PolarHBondContact O-N 3.02Å; W522-F525 VanDerWaalsContact O-N 3.08Å; F525-E528 PolarHBondContact O-N 2.89Å; F525-Y529 WeakPolarHBondContact O-CB 3.33Å; F525-Y529 PolarHBondContact O-N 3.44Å
526	V	43.9	Very low	38.1	Very low	70 Å²	70	119.4 Å²	119.4	42%	0.424	62%	0.618	S	S	.	*	H	α-helix	trans	-65	-41.9	175.3	172.8	0	0	0	0	111.4	W522 I530	W522-V526 WeakPolarHBondContact O-CG2 3.42Å; W522-V526 PolarHBondContact O-N 3.19Å; V526-I530 HydrophobicContact CG1-CD1 3.73Å; V526-I530 HydrophobicContact CG1-CG1 4.5Å; V526-I530 VanDerWaalsContact O-CB 3.28Å; V526-I530 WeakPolarHBondContact O-CB 3.49Å; V526-I530 WeakPolarHBondContact O-CD1 3.45Å; V526-I530 WeakPolarHBondContact O-CG1 3.32Å; V526-I530 PolarHBondContact O-N 2.91Å
527	M	38.1	Very low	38.7	Very low	116 Å²	116	119.7 Å²	119.7	57%	0.571	61%	0.614	S	S	*	*	H	α-helix	trans	-71.1	-32.5	176.9	-75.9	-72.3	179.6	0	0	112.9	I523 A524 R531	I523-M527 HydrophobicContact CG2-CG 4.07Å; I523-M527 WeakPolarHBondContact O-CB 3.33Å; I523-M527 WeakPolarHBondContact O-CG 3.4Å; I523-M527 PolarHBondContact O-N 3.38Å; A524-M527 PolarHBondContact O-N 2.95Å; M527-R531 VanDerWaalsContact O-CB 3.29Å; M527-R531 WeakPolarHBondContact O-CB 3.39Å; M527-R531 PolarHBondContact O-N 3.07Å
528	E	43.3	Very low	39	Very low	97 Å²	97	117.5 Å²	117.5	45%	0.453	61%	0.609	S	S	.	*	H	α-helix	trans	-73.5	-41.5	175.7	-173.4	61.6	-165.7	0	0	111.2	A524 F525 R531 R532	A524-E528 VanDerWaalsContact O-CB 3.25Å; A524-E528 WeakPolarHBondContact O-CB 3.31Å; A524-E528 PolarHBondContact O-N 3.21Å; F525-E528 PolarHBondContact O-N 2.89Å; E528-R531 WeakPolarHBondContact O-CB 3.39Å; E528-R531 PolarHBondContact O-N 3.18Å; E528-R531 VanDerWaalsContact O-N 3.17Å; E528-R532 PolarHBondContact O-N 3.1Å
529	Y	42.3	Very low	39.5	Very low	148 Å²	148	119.8 Å²	119.8	58%	0.58	61%	0.606	S	S	*	*	H	α-helix	trans	-58.2	-50.5	169.8	-169.8	-92.2	0	0	0	110.4	F525 R531 R532 F533	F525-Y529 WeakPolarHBondContact O-CB 3.33Å; F525-Y529 PolarHBondContact O-N 3.44Å; Y529-R531 VanDerWaalsContact C-N 3.3Å; Y529-R531 PolarHBondContact O-N 3.09Å; Y529-R532 PolarHBondContact O-N 3.42Å; Y529-F533 HydrophobicContact CD1-CD2 4.38Å; Y529-F533 AromaticContact CE1-CD2 3.92Å; Y529-F533 HydrophobicContact CE1-CD2 3.92Å; Y529-F533 HydrophobicContact CE1-CE2 4.09Å; Y529-F533 WeakPolarHBondContact O-CB 3.48Å; Y529-F533 PolarHBondContact O-N 3.4Å
530	I	45.9	Very low	39.8	Very low	77 Å²	77	121.7 Å²	121.7	40%	0.395	61%	0.608	S	S	.	*	H	α-helix	trans	-62.8	-32.9	174.2	-70	168.9	0	0	0	111.9	V526 F533 V534	V526-I530 HydrophobicContact CG1-CD1 3.73Å; V526-I530 HydrophobicContact CG1-CG1 4.5Å; V526-I530 VanDerWaalsContact O-CB 3.28Å; V526-I530 WeakPolarHBondContact O-CB 3.49Å; V526-I530 WeakPolarHBondContact O-CD1 3.45Å; V526-I530 WeakPolarHBondContact O-CG1 3.32Å; V526-I530 PolarHBondContact O-N 2.91Å; I530-F533 WeakPolarHBondContact O-CB 3.43Å; I530-F533 PolarHBondContact O-N 3.36Å; I530-V534 HydrophobicContact CG2-CG2 4.15Å; I530-V534 WeakPolarHBondContact O-CB 3.41Å; I530-V534 WeakPolarHBondContact O-CG2 3.18Å; I530-V534 PolarHBondContact O-N 3Å
531	R	39.8	Very low	40.2	Very low	170 Å²	170	119.7 Å²	119.7	64%	0.642	61%	0.61	S	S	*	*	H	α-helix	trans	-62.7	-49.6	174.9	-130.9	179.5	175.8	88.9	0.2	110.7	M527 E528 Y529 F533 V534 V535	M527-R531 VanDerWaalsContact O-CB 3.29Å; M527-R531 WeakPolarHBondContact O-CB 3.39Å; M527-R531 PolarHBondContact O-N 3.07Å; E528-R531 WeakPolarHBondContact O-CB 3.39Å; E528-R531 PolarHBondContact O-N 3.18Å; E528-R531 VanDerWaalsContact O-N 3.17Å; Y529-R531 VanDerWaalsContact C-N 3.3Å; Y529-R531 PolarHBondContact O-N 3.09Å; R531-F533 VanDerWaalsContact C-N 3.34Å; R531-V534 PolarHBondContact O-N 3.21Å; R531-V535 WeakPolarHBondContact O-CB 3.37Å; R531-V535 WeakPolarHBondContact O-CG2 3.42Å; R531-V535 PolarHBondContact O-N 3.26Å
532	R	44.6	Very low	40.1	Very low	179 Å²	179	124.6 Å²	124.6	68%	0.675	62%	0.624	S	S	*	*	H	α-helix	trans	-62	-41.7	173.7	-78.5	173.8	126.7	131.9	-10.6	111.4	E528 Y529 V534 V535 S536	E528-R532 PolarHBondContact O-N 3.1Å; Y529-R532 PolarHBondContact O-N 3.42Å; R532-V534 PolarHBondContact O-N 3.14Å; R532-V535 PolarHBondContact O-N 2.93Å; R532-S536 WeakPolarHBondContact O-CB 3.47Å; R532-S536 PolarHBondContact O-N 3.25Å; R532-S536 PolarHBondContact O-OG 2.83Å
533	F	38.1	Very low	40.5	Very low	104 Å²	104	121.7 Å²	121.7	46%	0.456	62%	0.619	S	S	.	*	H	α-helix	trans	-55.3	-48.9	175	-142.8	-100	0	0	0	111.9	Y529 I530 R531 C537 F547	Y529-F533 HydrophobicContact CD1-CD2 4.38Å; Y529-F533 AromaticContact CE1-CD2 3.92Å; Y529-F533 HydrophobicContact CE1-CD2 3.92Å; Y529-F533 HydrophobicContact CE1-CE2 4.09Å; Y529-F533 WeakPolarHBondContact O-CB 3.48Å; Y529-F533 PolarHBondContact O-N 3.4Å; I530-F533 WeakPolarHBondContact O-CB 3.43Å; I530-F533 PolarHBondContact O-N 3.36Å; R531-F533 VanDerWaalsContact C-N 3.34Å; F533-C537 PolarHBondContact O-SG 3.19Å; F533-F547 HydrophobicContact CE1-CE1 4.22Å; F533-F547 AromaticContact CZ-CE1 3.85Å; F533-F547 HydrophobicContact CZ-CE1 3.85Å
534	V	38.3	Very low	40.2	Very low	101 Å²	101	127.8 Å²	127.8	61%	0.612	64%	0.636	S	S	*	*	H	α-helix	trans	-77.3	-32.4	-177.4	172.4	0	0	0	0	112.7	I530 R531 R532	I530-V534 HydrophobicContact CG2-CG2 4.15Å; I530-V534 WeakPolarHBondContact O-CB 3.41Å; I530-V534 WeakPolarHBondContact O-CG2 3.18Å; I530-V534 PolarHBondContact O-N 3Å; R531-V534 PolarHBondContact O-N 3.21Å; R532-V534 PolarHBondContact O-N 3.14Å
535	V	35.7	Very low	40.1	Very low	111 Å²	111	135.1 Å²	135.1	67%	0.673	66%	0.663	S	S	*	*	H	α-helix	trans	-74.5	-38.6	179.5	170.3	0	0	0	0	111.8	R531 R532 C537	R531-V535 WeakPolarHBondContact O-CB 3.37Å; R531-V535 WeakPolarHBondContact O-CG2 3.42Å; R531-V535 PolarHBondContact O-N 3.26Å; R532-V535 PolarHBondContact O-N 2.93Å; V535-C537 VanDerWaalsContact C-N 3.34Å; V535-C537 PolarHBondContact O-N 2.66Å
536	S	39.3	Very low	40.1	Very low	92 Å²	92	131.2 Å²	131.2	64%	0.643	65%	0.654	S	S	*	*	H	α-helix	trans	-70.6	-25.4	178.2	-64.9	0	0	0	0	113.7	R532 K538	R532-S536 WeakPolarHBondContact O-CB 3.47Å; R532-S536 PolarHBondContact O-N 3.25Å; R532-S536 PolarHBondContact O-OG 2.83Å; S536-K538 PolarHBondContact O-N 3.25Å
537	C	37.4	Very low	39.6	Very low	91 Å²	91	133.8 Å²	133.8	62%	0.615	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	24.4	-178.7	-75.2	0	0	0	0	116.1	F533 V535	F533-C537 PolarHBondContact O-SG 3.19Å; V535-C537 VanDerWaalsContact C-N 3.34Å; V535-C537 PolarHBondContact O-N 2.66Å
538	K	34.4	Very low	39.4	Very low	185 Å²	185	136.3 Å²	136.3	80%	0.804	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-1.8	-179.6	-92.8	-168.2	173.2	-174.6	0	116.7	S536	S536-K538 PolarHBondContact O-N 3.25Å
539	L	41.5	Very low	39.1	Very low	156 Å²	156	134.2 Å²	134.2	82%	0.817	66%	0.664	S	S	*	*	S	Bend	trans	-136.1	150	173.6	-69.3	172.6	0	0	0	110.8
540	V	37.1	Very low	39	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	67%	0.666	S	S	*	*			trans	65.4	103.5	-178.1	-167.3	0	0	0	0	115.4
541	P	40.2	Very low	38.6	Very low	132 Å²	132	138.9 Å²	138.9	86%	0.857	69%	0.689	S	S	*	*			trans	-102.6	72.4	-175.6	38.9	-33.9	0	0	0	113.8
542	N	38.8	Very low	38.3	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	70%	0.696	S	S	*	*			trans	-149.3	2.6	167.5	-141.9	18.4	0	0	0	119.3
543	E	45.8	Very low	38.2	Very low	151 Å²	151	140.6 Å²	140.6	71%	0.706	70%	0.701	S	S	*	*			trans	-102.9	83.7	176	-73	-152.9	-159.5	0	0	113.4
544	R	36.5	Very low	38.8	Very low	230 Å²	230	137.2 Å²	137.2	87%	0.868	70%	0.695	S	S	*	*			trans	-101.8	-4.1	171.6	-103.2	-179.2	174	166.5	-1.1	114.9
545	F	38.2	Very low	40	Very low	183 Å²	183	137.3 Å²	137.3	80%	0.803	70%	0.698	S	S	*	*	S	Bend	trans	-86.2	-43.8	-171.7	-142.9	-102.7	0	0	0	113.3	F547 F548	F545-F547 PolarHBondContact O-N 2.84Å; F545-F547 VanDerWaalsContact O-N 3.13Å; F545-F548 PolarHBondContact O-N 3.42Å
546	C	42.4	Very low	42.3	Very low	77 Å²	77	136.5 Å²	136.5	52%	0.52	69%	0.693	S	S	.	*	H	α-helix	trans	-59.9	-27.3	-175.3	-61.6	0	0	0	0	114.7	F548 S549	C546-F548 PolarHBondContact O-N 2.71Å; C546-S549 PolarHBondContact O-N 3.33Å
547	F	34.8	Very low	44.8	Very low	123 Å²	123	132.7 Å²	132.7	54%	0.539	67%	0.666	S	S	.	*	H	α-helix	trans	-65.6	-31.1	-177.9	-75.7	-85.6	0	0	0	114.2	F533 F545	F533-F547 HydrophobicContact CE1-CE1 4.22Å; F533-F547 AromaticContact CZ-CE1 3.85Å; F533-F547 HydrophobicContact CZ-CE1 3.85Å; F545-F547 PolarHBondContact O-N 2.84Å; F545-F547 VanDerWaalsContact O-N 3.13Å
548	F	33.3	Very low	47.5	Very low	169 Å²	169	130.4 Å²	130.4	74%	0.741	65%	0.649	S	S	*	*	H	α-helix	trans	-81.6	-31.4	177.4	-82.5	-84.3	0	0	0	112.5	F545 C546	F545-F548 PolarHBondContact O-N 3.42Å; C546-F548 PolarHBondContact O-N 2.71Å
549	S	37.6	Very low	50.4	Low	53 Å²	53	121.6 Å²	121.6	37%	0.371	61%	0.611	S	S	.	*	H	α-helix	trans	-61.4	-46.6	-180	-49.3	0	0	0	0	112.3	C546 W551 F552 W553	C546-S549 PolarHBondContact O-N 3.33Å; S549-W551 VanDerWaalsContact C-N 3.31Å; S549-W551 PolarHBondContact O-N 2.99Å; S549-F552 PolarHBondContact O-N 3.24Å; S549-W553 VanDerWaalsContact O-CD1 3.24Å; S549-W553 PolarHBondContact O-N 3.4Å; S549-W553 VanDerWaalsContact O-N 3.17Å
550	S	38.7	Very low	52.9	Low	90 Å²	90	117.5 Å²	117.5	63%	0.629	59%	0.588	S	S	*	*	H	α-helix	trans	-63	-33.8	-175.5	-177.8	0	0	0	0	113.4
551	W	38.6	Very low	55.7	Low	233 Å²	233	112 Å²	112	88%	0.883	55%	0.554	S	S	*	*	H	α-helix	trans	-74.3	-30.8	179.9	-167.5	-79.4	0	0	0	113.3	S549	S549-W551 VanDerWaalsContact C-N 3.31Å; S549-W551 PolarHBondContact O-N 2.99Å
552	F	32.2	Very low	58.3	Low	179 Å²	179	105.8 Å²	105.8	79%	0.785	51%	0.513	S	S	*	.	H	α-helix	trans	-96.3	-23.2	-172.5	-123.8	-90	0	0	0	114.6	S549	S549-F552 PolarHBondContact O-N 3.24Å
553	W	43.5	Very low	61.1	Low	207 Å²	207	98.4 Å²	98.4	78%	0.784	47%	0.474	S	S	*	.	H	α-helix	trans	-106.2	-17.9	-169.8	-68	78.8	0	0	0	114.7	S549	S549-W553 VanDerWaalsContact O-CD1 3.24Å; S549-W553 PolarHBondContact O-N 3.4Å; S549-W553 VanDerWaalsContact O-N 3.17Å
554	G	51.1	Low	63.4	Low	32 Å²	32	92.8 Å²	92.8	33%	0.33	45%	0.453	S	S	.	.			trans	93.9	-175.5	-178.9	0	0	0	0	0	113.6
555	P	63.5	Low	66.1	Low	103 Å²	103	83 Å²	83	67%	0.669	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-65.3	135.9	179.2	27.5	-34.1	0	0	0	111.2
556	V	82.6	Confident	68.7	Low	95 Å²	95	77.5 Å²	77.5	58%	0.576	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-75.8	135.9	173.7	-178.9	0	0	0	0	108.9
557	V	92	Very high	71.1	Confident	11 Å²	11	74.7 Å²	74.7	7%	0.067	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.3	175.9	-166.5	0	0	0	0	109.2	P490 L495 D561 T621 V623 S624	P490-V557 HydrophobicContact CG-CG1 3.96Å; L495-V557 HydrophobicContact CD1-CG2 3.85Å; L495-V557 HydrophobicContact CD2-CG1 4.41Å; V557-D561 HydrophobicContact CG1-CB 4.43Å; V557-T621 HydrophobicContact CG2-CG2 3.72Å; V557-V623 HydrophobicContact CB-CG2 4.47Å; V557-V623 HydrophobicContact CG1-CG2 4.37Å; V557-V623 CarbonylContact O-C 3.56Å; V557-V623 WeakPolarHBondContact O-CA 3.41Å; V557-S624 PolarHBondContact O-N 3.44Å
558	T	94.6	Very high	73.8	Confident	43 Å²	43	70.7 Å²	70.7	26%	0.264	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	158.9	174.1	68.8	0	0	0	0	112	Q560 D561 C562 S624	T558-Q560 PolarHBondContact O-N 2.76Å; T558-D561 WeakPolarHBondContact CB-OD2 3.4Å; T558-D561 PolarHBondContact N-OD2 3Å; T558-D561 WeakPolarHBondContact O-CB 3.22Å; T558-D561 PolarHBondContact O-N 2.67Å; T558-D561 PolarHBondContact OG1-N 2.96Å; T558-D561 PolarHBondContact OG1-OD2 3.11Å; T558-C562 PolarHBondContact O-N 2.93Å; T558-C562 VanDerWaalsContact O-N 3.16Å; T558-S624 CarbonylContact C-O 3.55Å; T558-S624 WeakPolarHBondContact CA-O 3.41Å
559	L	95.9	Very high	76.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-34.4	170.6	-176.7	61.3	0	0	0	111.6	L487 D561 C562 L563 I604 L606 S624 F625 L630 Y702	L487-L559 HydrophobicContact CD1-CD1 4.04Å; L559-D561 VanDerWaalsContact C-N 3.35Å; L559-C562 WeakPolarHBondContact O-CB 3.06Å; L559-C562 PolarHBondContact O-N 3.33Å; L559-L563 HydrophobicContact CG-CD1 4.47Å; L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 3.22Å; L559-I604 HydrophobicContact CD1-CD1 4.13Å; L559-I604 HydrophobicContact CD1-CG2 4.19Å; L559-I604 HydrophobicContact CD2-CD1 4.07Å; L559-I604 HydrophobicContact CG-CD1 4.42Å; L559-L606 HydrophobicContact CD1-CD2 4.16Å; L559-S624 PolarHBondContact N-O 2.85Å; L559-F625 HydrophobicContact CB-CB 4.03Å; L559-F625 HydrophobicContact CD2-CB 3.93Å; L559-L630 HydrophobicContact CD2-CD1 4.28Å; L559-L630 HydrophobicContact CD2-CD2 3.89Å; L559-Y702 HydrophobicContact CD2-CE2 3.56Å
560	Q	94.6	Very high	78.9	Confident	70 Å²	70	71 Å²	71	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-34.4	173.5	-68.6	81.9	-7.6	0	0	112.3	T558 L563 A564 L630	T558-Q560 PolarHBondContact O-N 2.76Å; Q560-L563 PolarHBondContact O-N 3.46Å; Q560-A564 VanDerWaalsContact O-CB 3.26Å; Q560-A564 WeakPolarHBondContact O-CB 3.45Å; Q560-A564 PolarHBondContact O-N 3.07Å; Q560-L630 HydrophobicContact CG-CD1 4.37Å
561	D	94.5	Very high	81.3	Confident	18 Å²	18	71.1 Å²	71.1	10%	0.096	35%	0.351	C	S	.	.	H	α-helix	trans	-66.7	-40.1	171.3	-62.7	-62.3	0	0	0	111.6	P490 L495 H499 V557 T558 L559 A564 A565	P490-D561 HydrophobicContact CG-CB 4.41Å; L495-D561 HydrophobicContact CD2-CB 3.61Å; H499-D561 IonicContact CD2-OD1 3.75Å; H499-D561 IonicContact CE1-OD1 3.4Å; H499-D561 IonicContact NE2-OD1 2.83Å; H499-D561 PolarHBondContact NE2-OD1 3.32Å; V557-D561 HydrophobicContact CG1-CB 4.43Å; T558-D561 WeakPolarHBondContact CB-OD2 3.4Å; T558-D561 PolarHBondContact N-OD2 3Å; T558-D561 WeakPolarHBondContact O-CB 3.22Å; T558-D561 PolarHBondContact O-N 2.67Å; T558-D561 PolarHBondContact OG1-N 2.96Å; T558-D561 PolarHBondContact OG1-OD2 3.11Å; L559-D561 VanDerWaalsContact C-N 3.35Å; D561-A564 PolarHBondContact O-N 3.49Å; D561-A565 WeakPolarHBondContact O-CB 3.34Å; D561-A565 PolarHBondContact O-N 3.21Å
562	C	96.3	Very high	83.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-39.9	175.6	-61.1	0	0	0	0	111.9	L487 T558 L559 A565 F566 L606	L487-C562 HydrophobicContact CB-CB 4.2Å; L487-C562 HydrophobicContact CD1-CB 3.92Å; T558-C562 PolarHBondContact O-N 2.93Å; T558-C562 VanDerWaalsContact O-N 3.16Å; L559-C562 WeakPolarHBondContact O-CB 3.06Å; L559-C562 PolarHBondContact O-N 3.33Å; C562-A565 PolarHBondContact O-N 3.36Å; C562-F566 PolarHBondContact O-N 3.47Å; C562-F566 VanDerWaalsContact O-N 3.08Å; C562-L606 HydrophobicContact CB-CD2 4.44Å
563	L	95.9	Very high	86.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-43.9	172	-74	163	0	0	0	111.4	L487 L559 Q560 A565 F566 F567 M595 L630 L632 F635	L487-L563 HydrophobicContact CD1-CD2 3.91Å; L487-L563 HydrophobicContact CD1-CG 3.91Å; L487-L563 HydrophobicContact CD2-CD2 3.99Å; L559-L563 HydrophobicContact CG-CD1 4.47Å; L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 3.22Å; Q560-L563 PolarHBondContact O-N 3.46Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-A565 PolarHBondContact O-N 2.93Å; L563-F566 PolarHBondContact O-N 3.38Å; L563-F567 HydrophobicContact CD2-CE2 4.15Å; L563-F567 VanDerWaalsContact O-CD2 3.31Å; L563-F567 WeakPolarHBondContact O-CD2 3.27Å; L563-F567 PolarHBondContact O-N 2.91Å; L563-M595 HydrophobicContact CD2-CE 4.31Å; L563-L630 HydrophobicContact CD1-CD1 4.24Å; L563-L632 HydrophobicContact CD1-CD2 4.13Å; L563-F635 HydrophobicContact CB-CD2 4.27Å; L563-F635 HydrophobicContact CB-CE1 4.05Å; L563-F635 HydrophobicContact CB-CE2 3.67Å; L563-F635 HydrophobicContact CB-CZ 3.54Å; L563-F635 HydrophobicContact CD1-CD2 4.46Å; L563-F635 HydrophobicContact CD1-CE2 3.96Å; L563-F635 HydrophobicContact CG-CE2 4.36Å
564	A	94.1	Very high	88.8	Confident	32 Å²	32	48.9 Å²	48.9	26%	0.264	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-34	176.1	0	0	0	0	0	112.8	L498 Q560 D561 A568 F635	L498-A564 HydrophobicContact CD2-CB 4.46Å; Q560-A564 VanDerWaalsContact O-CB 3.26Å; Q560-A564 WeakPolarHBondContact O-CB 3.45Å; Q560-A564 PolarHBondContact O-N 3.07Å; D561-A564 PolarHBondContact O-N 3.49Å; A564-A568 WeakPolarHBondContact O-CB 3.36Å; A564-A568 PolarHBondContact O-N 3.05Å; A564-A568 VanDerWaalsContact O-N 3.09Å; A564-F635 HydrophobicContact CB-CE1 4.31Å
565	A	92.9	Very high	90.4	Very high	26 Å²	26	55.4 Å²	55.4	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-41.5	171.8	0	0	0	0	0	112.1	P488 P490 L498 D561 C562 L563 A568	P488-A565 HydrophobicContact CG-CB 4.19Å; P490-A565 HydrophobicContact CB-CB 4.37Å; L498-A565 HydrophobicContact CD1-CB 3.87Å; D561-A565 WeakPolarHBondContact O-CB 3.34Å; D561-A565 PolarHBondContact O-N 3.21Å; C562-A565 PolarHBondContact O-N 3.36Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-A565 PolarHBondContact O-N 2.93Å; A565-A568 WeakPolarHBondContact O-CB 3.31Å
566	F	93.3	Very high	91.6	Very high	66 Å²	66	56.2 Å²	56.2	29%	0.289	31%	0.305	S	S	.	.	H	α-helix	trans	-71.6	-38.9	179.3	-177.9	-88.8	0	0	0	113.2	I463 I485 L487 C562 L563 A568	I463-F566 HydrophobicContact CD1-CE1 3.92Å; I463-F566 HydrophobicContact CD1-CZ 4.17Å; I485-F566 HydrophobicContact CG2-CD1 4.19Å; I485-F566 HydrophobicContact CG2-CD2 4.25Å; I485-F566 HydrophobicContact CG2-CE1 3.88Å; I485-F566 HydrophobicContact CG2-CE2 3.94Å; I485-F566 HydrophobicContact CG2-CG 4.37Å; I485-F566 HydrophobicContact CG2-CZ 3.75Å; L487-F566 HydrophobicContact CD2-CB 3.48Å; L487-F566 VanDerWaalsContact CD2-CB 3.48Å; L487-F566 HydrophobicContact CD2-CD1 4.29Å; L487-F566 HydrophobicContact CD2-CD2 3.97Å; L487-F566 HydrophobicContact CD2-CG 3.66Å; C562-F566 PolarHBondContact O-N 3.47Å; C562-F566 VanDerWaalsContact O-N 3.08Å; L563-F566 PolarHBondContact O-N 3.38Å; F566-A568 VanDerWaalsContact C-N 3.3Å
567	F	93.6	Very high	91.9	Very high	18 Å²	18	55 Å²	55	8%	0.079	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	15.5	176.3	-66.5	-70.3	0	0	0	113.5	I463 L563 C593 M595 F635	I463-F567 HydrophobicContact CD1-CE1 4.46Å; I463-F567 HydrophobicContact CD1-CZ 4.46Å; I463-F567 HydrophobicContact CG1-CE1 4.36Å; L563-F567 HydrophobicContact CD2-CE2 4.15Å; L563-F567 VanDerWaalsContact O-CD2 3.31Å; L563-F567 WeakPolarHBondContact O-CD2 3.27Å; L563-F567 PolarHBondContact O-N 2.91Å; F567-C593 HydrophobicContact CD1-CB 3.8Å; F567-C593 WeakPolarHBondContact CD1-O 3.4Å; F567-C593 HydrophobicContact CE1-CB 4.15Å; F567-M595 HydrophobicContact CE1-CG 4.06Å; F567-M595 HydrophobicContact CE2-CE 3.5Å; F567-M595 HydrophobicContact CE2-CG 4.25Å; F567-M595 HydrophobicContact CZ-CE 3.58Å; F567-M595 HydrophobicContact CZ-CG 3.53Å; F567-M595 HydrophobicContact CZ-SD 4.39Å; F567-F635 HydrophobicContact CB-CD1 3.89Å; F567-F635 HydrophobicContact CD2-CB 3.8Å; F567-F635 AromaticContact CD2-CD1 3.56Å; F567-F635 HydrophobicContact CD2-CD1 3.56Å; F567-F635 HydrophobicContact CD2-CE1 4.36Å; F567-F635 AromaticContact CD2-CG 3.76Å; F567-F635 HydrophobicContact CD2-CG 3.76Å; F567-F635 HydrophobicContact CE2-CB 4.01Å; F567-F635 HydrophobicContact CE2-CD1 4.47Å; F567-F635 HydrophobicContact CE2-CG 4.24Å; F567-F635 HydrophobicContact CG-CB 4.25Å; F567-F635 AromaticContact CG-CD1 3.98Å; F567-F635 HydrophobicContact CG-CD1 3.98Å; F567-F635 HydrophobicContact CG-CG 4.41Å
568	A	90.9	Very high	91.8	Very high	39 Å²	39	56 Å²	56	32%	0.322	30%	0.297	S	S	.	.	S	Bend	trans	-66.2	162	172.2	0	0	0	0	0	111.6	L498 A564 A565 F566 D570	L498-A568 HydrophobicContact CD2-CB 4.35Å; A564-A568 WeakPolarHBondContact O-CB 3.36Å; A564-A568 PolarHBondContact O-N 3.05Å; A564-A568 VanDerWaalsContact O-N 3.09Å; A565-A568 WeakPolarHBondContact O-CB 3.31Å; F566-A568 VanDerWaalsContact C-N 3.3Å; A568-D570 PolarHBondContact O-N 2.95Å
569	R	88.1	Confident	91.7	Very high	146 Å²	146	57.9 Å²	57.9	55%	0.551	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-72.9	120.6	168	172.8	-174.2	169.4	133	-1.4	108.8	V590 F592	R569-V590 HydrophobicContact CG-CG1 3.47Å; R569-V590 VanDerWaalsContact CG-CG1 3.47Å; R569-F592 HydrophobicContact CB-CD1 4.17Å; R569-F592 HydrophobicContact CB-CE1 3.99Å; R569-F592 HydrophobicContact CG-CD1 4.19Å; R569-F592 HydrophobicContact CG-CE1 3.67Å; R569-F592 HydrophobicContact CG-CZ 4.15Å
570	D	89.3	Confident	91.5	Very high	84 Å²	84	57.9 Å²	57.9	45%	0.449	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.3	177.6	-176.9	26.7	0	0	0	111.5	A568 V590 K591	A568-D570 PolarHBondContact O-N 2.95Å; D570-V590 CarbonylContact O-C 3.55Å; D570-V590 WeakPolarHBondContact O-CA 3.26Å; D570-K591 HydrophobicContact CB-CB 4.32Å; D570-K591 PolarHBondContact N-O 2.77Å; D570-K591 PolarHBondContact O-N 3.33Å
571	E	90.8	Very high	91.3	Very high	92 Å²	92	58.7 Å²	58.7	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	92.6	-174.7	-69.5	-154.1	116.5	0	0	111.5	K573	E571-K573 HydrophobicContact CB-CD 4.21Å; E571-K573 PolarHBondContact O-N 3.44Å; E571-K573 IonicContact OE1-NZ 2.67Å; E571-K573 PolarHBondContact OE1-NZ 3.34Å; E571-K573 IonicContact OE2-NZ 2.66Å; E571-K573 PolarHBondContact OE2-NZ 3.45Å
572	L	91.1	Very high	91.2	Very high	23 Å²	23	64 Å²	64	12%	0.12	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	98.8	179.1	-57.6	-172.7	0	0	0	110.1	V467 N576 Y578 N588 G589 K591	V467-L572 HydrophobicContact CG1-CD1 3.78Å; V467-L572 HydrophobicContact CG2-CD1 4.36Å; L572-N576 WeakPolarHBondContact CA-O 3.36Å; L572-N576 VanDerWaalsContact CB-O 3.31Å; L572-N576 WeakPolarHBondContact CB-O 3.32Å; L572-Y578 HydrophobicContact CD1-CD1 4.38Å; L572-Y578 HydrophobicContact CD1-CG 4.27Å; L572-N588 CarbonylContact O-C 3.47Å; L572-N588 WeakPolarHBondContact O-CA 3.38Å; L572-G589 PolarHBondContact N-O 2.62Å; L572-G589 PolarHBondContact O-N 2.85Å; L572-K591 HydrophobicContact CD1-CB 4.23Å; L572-K591 HydrophobicContact CG-CB 4.33Å
573	K	90.1	Very high	90.9	Very high	87 Å²	87	65.5 Å²	65.5	38%	0.378	35%	0.347	S	S	.	.			trans	-143.6	156.5	-173.6	-67.7	175.1	-177.4	168.2	0	110.9	E571 D575 N576 N588	E571-K573 HydrophobicContact CB-CD 4.21Å; E571-K573 PolarHBondContact O-N 3.44Å; E571-K573 IonicContact OE1-NZ 2.67Å; E571-K573 PolarHBondContact OE1-NZ 3.34Å; E571-K573 IonicContact OE2-NZ 2.66Å; E571-K573 PolarHBondContact OE2-NZ 3.45Å; K573-D575 PolarHBondContact O-N 2.82Å; K573-N576 PolarHBondContact O-N 2.8Å; K573-N576 VanDerWaalsContact O-N 3.15Å; K573-N588 HydrophobicContact CG-CB 4.44Å
574	G	90	Very high	90.8	Very high	41 Å²	41	73.6 Å²	73.6	42%	0.423	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	60.9	-130	179.8	0	0	0	0	0	111.3	N576 M577	G574-N576 PolarHBondContact O-N 3.49Å; G574-M577 WeakPolarHBondContact O-CB 3.38Å; G574-M577 WeakPolarHBondContact O-CE 3.41Å; G574-M577 VanDerWaalsContact O-CG 3.24Å; G574-M577 WeakPolarHBondContact O-CG 3.24Å; G574-M577 PolarHBondContact O-N 3.21Å; G574-M577 VanDerWaalsContact O-N 3.07Å
575	D	85	Confident	90.7	Very high	170 Å²	170	78.6 Å²	78.6	91%	0.909	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.5	179.6	-47.6	-46.8	0	0	0	112.6	K573 M577	K573-D575 PolarHBondContact O-N 2.82Å; D575-M577 VanDerWaalsContact C-N 3.33Å; D575-M577 PolarHBondContact O-N 2.61Å
576	N	87.8	Confident	90.8	Very high	120 Å²	120	81.4 Å²	81.4	64%	0.642	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-89	16	174.8	-65.1	-25.4	0	0	0	113.6	L572 K573 G574	L572-N576 WeakPolarHBondContact CA-O 3.36Å; L572-N576 VanDerWaalsContact CB-O 3.31Å; L572-N576 WeakPolarHBondContact CB-O 3.32Å; K573-N576 PolarHBondContact O-N 2.8Å; K573-N576 VanDerWaalsContact O-N 3.15Å; G574-N576 PolarHBondContact O-N 3.49Å
577	M	89.5	Confident	90.8	Very high	69 Å²	69	81.8 Å²	81.8	34%	0.34	41%	0.409	S	S	.	.			trans	-62.4	146.5	173.3	-83	-171.5	-67.4	0	0	112.2	G574 D575 L586 R587 N588	G574-M577 WeakPolarHBondContact O-CB 3.38Å; G574-M577 WeakPolarHBondContact O-CE 3.41Å; G574-M577 VanDerWaalsContact O-CG 3.24Å; G574-M577 WeakPolarHBondContact O-CG 3.24Å; G574-M577 PolarHBondContact O-N 3.21Å; G574-M577 VanDerWaalsContact O-N 3.07Å; D575-M577 VanDerWaalsContact C-N 3.33Å; D575-M577 PolarHBondContact O-N 2.61Å; M577-L586 HydrophobicContact CB-CB 4.11Å; M577-L586 HydrophobicContact CE-CB 4.44Å; M577-R587 WeakPolarHBondContact CB-O 3.42Å; M577-R587 WeakPolarHBondContact CG-O 3.37Å; M577-N588 WeakPolarHBondContact CG-OD1 3.19Å
578	Y	90.2	Very high	90.9	Very high	33 Å²	33	84 Å²	84	13%	0.129	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	152	-179.3	90.5	-69.3	0	0	0	112.7	V467 C469 L572 C580 L586 R587	V467-Y578 HydrophobicContact CB-CD2 4.39Å; V467-Y578 HydrophobicContact CB-CE2 4.07Å; V467-Y578 HydrophobicContact CG1-CD1 3.8Å; V467-Y578 HydrophobicContact CG1-CD2 3.79Å; V467-Y578 HydrophobicContact CG1-CE1 3.64Å; V467-Y578 HydrophobicContact CG1-CE2 3.59Å; V467-Y578 HydrophobicContact CG1-CG 3.87Å; C469-Y578 VanDerWaalsContact CA-OH 3.27Å; C469-Y578 WeakPolarHBondContact CA-OH 3.13Å; C469-Y578 HydrophobicContact CB-CE1 4.5Å; C469-Y578 WeakPolarHBondContact CB-OH 3.33Å; C469-Y578 PolarHBondContact N-OH 3.03Å; L572-Y578 HydrophobicContact CD1-CD1 4.38Å; L572-Y578 HydrophobicContact CD1-CG 4.27Å; Y578-C580 HydrophobicContact CE1-CB 4.3Å; Y578-C580 HydrophobicContact CE2-CB 4.21Å; Y578-C580 PolarHBondContact O-N 3.06Å; Y578-L586 CarbonylContact O-C 3.55Å; Y578-L586 WeakPolarHBondContact O-CA 3.2Å; Y578-R587 WeakPolarHBondContact CD1-O 3.28Å; Y578-R587 HydrophobicContact CE1-CB 4.34Å; Y578-R587 PolarHBondContact N-O 2.92Å; Y578-R587 VanDerWaalsContact N-O 3.09Å; Y578-R587 PolarHBondContact O-N 2.98Å
579	S	92.1	Very high	91	Very high	82 Å²	82	82.2 Å²	82.2	57%	0.573	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	104.4	175.8	-168.7	0	0	0	0	110.7	E581	S579-E581 PolarHBondContact O-N 3.33Å
580	C	92.1	Very high	91.3	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114	-179.5	175.9	0	0	0	0	110.7	C472 Y578 K582 C583 K584 K585 R587	C472-C580 VanDerWaalsContact SG-SG 3.65Å; Y578-C580 HydrophobicContact CE1-CB 4.3Å; Y578-C580 HydrophobicContact CE2-CB 4.21Å; Y578-C580 PolarHBondContact O-N 3.06Å; C580-K582 PolarHBondContact O-N 2.88Å; C580-K582 VanDerWaalsContact O-N 3.08Å; C580-C583 HydrophobicContact CB-CB 4.02Å; C580-C583 CarbonylContact O-C 3.57Å; C580-C583 PolarHBondContact O-N 2.99Å; C580-K584 PolarHBondContact O-N 3.24Å; C580-K585 PolarHBondContact N-O 3.19Å; C580-R587 HydrophobicContact CB-CB 4.04Å; C580-R587 HydrophobicContact CB-CG 3.77Å
581	E	89.4	Confident	91.5	Very high	86 Å²	86	73.9 Å²	73.9	40%	0.402	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.4	-178.9	-65.3	170.2	-106.2	0	0	115.3	R474 S476 S579 K584	R474-E581 IonicContact CZ-OE1 3.94Å; R474-E581 IonicContact CZ-OE2 2.73Å; R474-E581 VanDerWaalsContact NH1-CB 3.27Å; R474-E581 IonicContact NH1-OE1 3.17Å; R474-E581 IonicContact NH1-OE2 2.68Å; R474-E581 PolarHBondContact NH1-OE2 3.1Å; R474-E581 IonicContact NH2-OE1 3.35Å; R474-E581 PolarHBondContact NH2-OE1 3.09Å; R474-E581 VanDerWaalsContact NH2-OE1 3.08Å; R474-E581 IonicContact NH2-OE2 2.84Å; R474-E581 PolarHBondContact NH2-OE2 3.22Å; S476-E581 WeakPolarHBondContact CB-OE1 3.47Å; S476-E581 PolarHBondContact OG-OE1 2.93Å; S579-E581 PolarHBondContact O-N 3.33Å; E581-K584 WeakPolarHBondContact O-CD 3.11Å; E581-K584 WeakPolarHBondContact O-CE 3.47Å; E581-K584 PolarHBondContact O-NZ 3.46Å
582	K	92.3	Very high	91.5	Very high	131 Å²	131	73.3 Å²	73.3	57%	0.57	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-27	179.9	177.6	177.1	169.2	-167.4	0	112.4	C472 R474 C580	C472-K582 HydrophobicContact CB-CD 4.14Å; C472-K582 PolarHBondContact O-NZ 2.91Å; R474-K582 HydrophobicContact CB-CB 4.33Å; R474-K582 HydrophobicContact CB-CD 3.92Å; C580-K582 PolarHBondContact O-N 2.88Å; C580-K582 VanDerWaalsContact O-N 3.08Å
583	C	91.1	Very high	91.6	Very high	31 Å²	31	73 Å²	73	21%	0.209	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-17.7	174.5	-65.4	0	0	0	0	113.4	C472 C580 K585 R587	C472-C583 VanDerWaalsContact SG-SG 3.62Å; C580-C583 HydrophobicContact CB-CB 4.02Å; C580-C583 CarbonylContact O-C 3.57Å; C580-C583 PolarHBondContact O-N 2.99Å; C583-K585 PolarHBondContact O-N 2.89Å; C583-K585 VanDerWaalsContact O-N 3.15Å; C583-R587 HydrophobicContact CB-CG 3.91Å
584	K	92.4	Very high	91.8	Very high	170 Å²	170	72.7 Å²	72.7	74%	0.739	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	32.1	-170.7	-58	-65	-177.2	-168.1	0	113.4	C580 E581	C580-K584 PolarHBondContact O-N 3.24Å; E581-K584 WeakPolarHBondContact O-CD 3.11Å; E581-K584 WeakPolarHBondContact O-CE 3.47Å; E581-K584 PolarHBondContact O-NZ 3.46Å
585	K	93	Very high	92	Very high	137 Å²	137	70.7 Å²	70.7	60%	0.596	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.9	-177.8	-65.9	-166.6	179.5	-163.6	0	110.5	C580 C583	C580-K585 PolarHBondContact N-O 3.19Å; C583-K585 PolarHBondContact O-N 2.89Å; C583-K585 VanDerWaalsContact O-N 3.15Å
586	L	94.1	Very high	92.5	Very high	84 Å²	84	64 Å²	64	44%	0.44	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	138.7	166.6	-63.3	-178.3	0	0	0	111	M577 Y578	M577-L586 HydrophobicContact CB-CB 4.11Å; M577-L586 HydrophobicContact CE-CB 4.44Å; Y578-L586 CarbonylContact O-C 3.55Å; Y578-L586 WeakPolarHBondContact O-CA 3.2Å
587	R	94.5	Very high	92.8	Very high	74 Å²	74	61.8 Å²	61.8	28%	0.279	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.8	-176.5	-70.5	-63.9	177.6	-119.5	18.7	111.7	M577 Y578 C580 C583	M577-R587 WeakPolarHBondContact CB-O 3.42Å; M577-R587 WeakPolarHBondContact CG-O 3.37Å; Y578-R587 WeakPolarHBondContact CD1-O 3.28Å; Y578-R587 HydrophobicContact CE1-CB 4.34Å; Y578-R587 PolarHBondContact N-O 2.92Å; Y578-R587 VanDerWaalsContact N-O 3.09Å; Y578-R587 PolarHBondContact O-N 2.98Å; C580-R587 HydrophobicContact CB-CB 4.04Å; C580-R587 HydrophobicContact CB-CG 3.77Å; C583-R587 HydrophobicContact CB-CG 3.91Å
588	N	95.3	Very high	93.1	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.353	28%	0.283	S	S	.	.			trans	-63.6	136.1	162.5	-68.7	-20.1	0	0	0	109.3	L470 L572 K573 M577	L470-N588 HydrophobicContact CB-CB 4.43Å; L470-N588 HydrophobicContact CD1-CB 4.33Å; L470-N588 PolarHBondContact N-O 2.95Å; L470-N588 VanDerWaalsContact N-O 3.08Å; L572-N588 CarbonylContact O-C 3.47Å; L572-N588 WeakPolarHBondContact O-CA 3.38Å; K573-N588 HydrophobicContact CG-CB 4.44Å; M577-N588 WeakPolarHBondContact CG-OD1 3.19Å
589	G	93.3	Very high	93.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	177.5	-178.7	0	0	0	0	0	112.3	Q468 L572	Q468-G589 CarbonylContact O-C 3.45Å; Q468-G589 WeakPolarHBondContact O-CA 3.39Å; L572-G589 PolarHBondContact N-O 2.62Å; L572-G589 PolarHBondContact O-N 2.85Å
590	V	93.8	Very high	93.6	Very high	1 Å²	1	54 Å²	54	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.3	173	-178.3	0	0	0	0	107.9	V467 Q468 L470 R569 D570 F592	V467-V590 VanDerWaalsContact CA-O 3.31Å; V467-V590 WeakPolarHBondContact CA-O 3.22Å; Q468-V590 PolarHBondContact N-O 3.15Å; Q468-V590 PolarHBondContact O-N 2.85Å; L470-V590 HydrophobicContact CD1-CG2 3.9Å; L470-V590 HydrophobicContact CD2-CG2 3.82Å; L470-V590 HydrophobicContact CG-CG2 4Å; R569-V590 HydrophobicContact CG-CG1 3.47Å; R569-V590 VanDerWaalsContact CG-CG1 3.47Å; D570-V590 CarbonylContact O-C 3.55Å; D570-V590 WeakPolarHBondContact O-CA 3.26Å; V590-F592 HydrophobicContact CB-CE2 4.06Å; V590-F592 HydrophobicContact CB-CZ 4.44Å; V590-F592 HydrophobicContact CG1-CD2 4.14Å; V590-F592 HydrophobicContact CG1-CE1 4.14Å; V590-F592 HydrophobicContact CG1-CE2 3.45Å; V590-F592 VanDerWaalsContact CG1-CE2 3.45Å; V590-F592 HydrophobicContact CG1-CZ 3.47Å; V590-F592 VanDerWaalsContact CG1-CZ 3.47Å
591	K	93	Very high	93.9	Very high	54 Å²	54	54 Å²	54	24%	0.235	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	136.9	175.4	-169.6	177	-167.9	-173.9	0	109.7	S465 S466 V467 E480 D570 L572 C593	S465-K591 WeakPolarHBondContact OG-CE 3.2Å; S466-K591 CarbonylContact O-C 2.93Å; S466-K591 WeakPolarHBondContact O-CA 3.35Å; V467-K591 HydrophobicContact CG2-CB 4.23Å; V467-K591 HydrophobicContact CG2-CG 4.05Å; E480-K591 IonicContact OE2-NZ 3.85Å; D570-K591 HydrophobicContact CB-CB 4.32Å; D570-K591 PolarHBondContact N-O 2.77Å; D570-K591 PolarHBondContact O-N 3.33Å; L572-K591 HydrophobicContact CD1-CB 4.23Å; L572-K591 HydrophobicContact CG-CB 4.33Å; K591-C593 VanDerWaalsContact CE-SG 3.58Å
592	F	91.4	Very high	94.3	Very high	81 Å²	81	50 Å²	50	36%	0.355	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.5	168.5	-55.7	-91	0	0	0	108.2	S465 S466 R569 V590	S465-F592 WeakPolarHBondContact CA-O 3.27Å; S466-F592 PolarHBondContact N-O 2.83Å; S466-F592 PolarHBondContact O-N 3.43Å; R569-F592 HydrophobicContact CB-CD1 4.17Å; R569-F592 HydrophobicContact CB-CE1 3.99Å; R569-F592 HydrophobicContact CG-CD1 4.19Å; R569-F592 HydrophobicContact CG-CE1 3.67Å; R569-F592 HydrophobicContact CG-CZ 4.15Å; V590-F592 HydrophobicContact CB-CE2 4.06Å; V590-F592 HydrophobicContact CB-CZ 4.44Å; V590-F592 HydrophobicContact CG1-CD2 4.14Å; V590-F592 HydrophobicContact CG1-CE1 4.14Å; V590-F592 HydrophobicContact CG1-CE2 3.45Å; V590-F592 VanDerWaalsContact CG1-CE2 3.45Å; V590-F592 HydrophobicContact CG1-CZ 3.47Å; V590-F592 VanDerWaalsContact CG1-CZ 3.47Å
593	C	93.3	Very high	94.6	Very high	17 Å²	17	43.8 Å²	43.8	12%	0.115	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	146.7	174.8	-65.4	0	0	0	0	110.4	I463 V464 F567 K591	I463-C593 HydrophobicContact CG2-CB 4.07Å; V464-C593 CarbonylContact O-C 3.49Å; V464-C593 WeakPolarHBondContact O-CA 3.37Å; F567-C593 HydrophobicContact CD1-CB 3.8Å; F567-C593 WeakPolarHBondContact CD1-O 3.4Å; F567-C593 HydrophobicContact CE1-CB 4.15Å; K591-C593 VanDerWaalsContact CE-SG 3.58Å
594	K	94.3	Very high	94.9	Very high	79 Å²	79	42.3 Å²	42.3	34%	0.343	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.5	165.2	-73.7	-60.9	-175.7	-177.2	0	110.1	I463 V464 P634 F635 L636 A637	I463-K594 CarbonylContact C-O 3.58Å; I463-K594 WeakPolarHBondContact CA-O 3.3Å; V464-K594 HydrophobicContact CG1-CB 3.93Å; V464-K594 PolarHBondContact N-O 3.01Å; V464-K594 PolarHBondContact O-N 2.95Å; K594-P634 PolarHBondContact NZ-O 3.15Å; K594-F635 CarbonylContact C-O 3.57Å; K594-F635 WeakPolarHBondContact CA-O 3.28Å; K594-F635 WeakPolarHBondContact CD-O 3.34Å; K594-L636 WeakPolarHBondContact CD-O 3.45Å; K594-A637 HydrophobicContact CB-CB 4.11Å
595	M	94.9	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.4	169.3	-64.3	-172.7	-172.8	0	0	109.5	I485 L563 F567 L598 L632 F635 L636 A637	I485-M595 HydrophobicContact CD1-CE 3.58Å; L563-M595 HydrophobicContact CD2-CE 4.31Å; F567-M595 HydrophobicContact CE1-CG 4.06Å; F567-M595 HydrophobicContact CE2-CE 3.5Å; F567-M595 HydrophobicContact CE2-CG 4.25Å; F567-M595 HydrophobicContact CZ-CE 3.58Å; F567-M595 HydrophobicContact CZ-CG 3.53Å; F567-M595 HydrophobicContact CZ-SD 4.39Å; M595-L598 HydrophobicContact CB-CD2 3.95Å; M595-L598 HydrophobicContact CG-CD2 4.32Å; M595-L598 HydrophobicContact SD-CD2 3.37Å; M595-L598 WeakPolarHBondContact SD-CD2 3.41Å; M595-L632 HydrophobicContact CE-CD1 4.25Å; M595-L632 HydrophobicContact CE-CD2 4.29Å; M595-L632 HydrophobicContact SD-CB 4.48Å; M595-L632 HydrophobicContact SD-CD1 3.94Å; M595-F635 PolarHBondContact N-O 2.71Å; M595-L636 HydrophobicContact CB-CD2 3.94Å; M595-L636 CarbonylContact O-C 3.52Å; M595-L636 WeakPolarHBondContact O-CA 3.38Å; M595-L636 WeakPolarHBondContact O-CD2 3.17Å; M595-A637 PolarHBondContact O-N 3.05Å
596	Q	94.2	Very high	95.4	Very high	29 Å²	29	28.6 Å²	28.6	14%	0.136	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-52.4	177.2	-171.3	74.1	21.7	0	0	110.6	T462 V464 L479 D639 S640	T462-Q596 PolarHBondContact O-N 2.9Å; V464-Q596 HydrophobicContact CB-CB 4.41Å; V464-Q596 HydrophobicContact CG1-CB 4.48Å; L479-Q596 HydrophobicContact CD2-CB 4.48Å; L479-Q596 HydrophobicContact CD2-CG 4.37Å; Q596-D639 PolarHBondContact NE2-OD2 3.47Å; Q596-S640 WeakPolarHBondContact O-CB 3.41Å; Q596-S640 PolarHBondContact O-OG 3.39Å
597	N	94.3	Very high	95.5	Very high	74 Å²	74	29.2 Å²	29.2	40%	0.396	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142	174.3	-60.5	-52.6	0	0	0	110.4	T462	T462-N597 PolarHBondContact N-O 2.89Å; T462-N597 PolarHBondContact O-N 2.86Å; T462-N597 WeakPolarHBondContact OG1-CB 3.49Å; T462-N597 PolarHBondContact OG1-N 2.93Å; T462-N597 PolarHBondContact OG1-ND2 2.83Å
598	L	95.7	Very high	95.5	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.063	12%	0.123	C	C	.	.			trans	-104.6	128.5	-177	-65.8	-173.9	0	0	0	111.2	M595 L632 L636 A642 T645 Y647 K704	M595-L598 HydrophobicContact CB-CD2 3.95Å; M595-L598 HydrophobicContact CG-CD2 4.32Å; M595-L598 HydrophobicContact SD-CD2 3.37Å; M595-L598 WeakPolarHBondContact SD-CD2 3.41Å; L598-L632 HydrophobicContact CD1-CD1 4.43Å; L598-L632 HydrophobicContact CD2-CD1 3.85Å; L598-L636 HydrophobicContact CD1-CD1 4.21Å; L598-L636 HydrophobicContact CD1-CD2 4.03Å; L598-L636 HydrophobicContact CD1-CG 4.4Å; L598-L636 HydrophobicContact CD2-CD2 3.84Å; L598-L636 HydrophobicContact CG-CD2 3.81Å; L598-A642 HydrophobicContact CD1-CB 3.99Å; L598-A642 HydrophobicContact CG-CB 4.25Å; L598-T645 HydrophobicContact CD1-CG2 4.31Å; L598-Y647 WeakPolarHBondContact CB-OH 3.17Å; L598-Y647 HydrophobicContact CD1-CE2 4.4Å; L598-K704 VanDerWaalsContact O-CE 3.27Å; L598-K704 WeakPolarHBondContact O-CE 3.4Å; L598-K704 PolarHBondContact O-NZ 2.81Å
599	P	96.4	Very high	95.3	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.026	11%	0.113	C	C	.	.			trans	-73.2	156.4	179	32.1	-35.5	0	0	0	111.6	F459 F482 I601 L602 Y647 K704	F459-P599 WeakPolarHBondContact O-CB 3.31Å; F482-P599 HydrophobicContact CE2-CG 4.22Å; F482-P599 HydrophobicContact CZ-CG 4.44Å; P599-I601 VanDerWaalsContact C-N 3.35Å; P599-L602 HydrophobicContact CG-CB 4.2Å; P599-L602 HydrophobicContact CG-CD1 4.04Å; P599-Y647 PolarHBondContact O-OH 2.78Å; P599-K704 VanDerWaalsContact O-CE 3.27Å; P599-K704 WeakPolarHBondContact O-CE 3.29Å
600	E	96.9	Very high	94.9	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.023	14%	0.138	C	C	.	.	S	Bend	trans	-64.8	-41.1	175.1	178.6	61	-151	0	0	111.5	P179 V458 K703 K704 F743 A744	P179-E600 HydrophobicContact CG-CG 3.95Å; V458-E600 PolarHBondContact O-N 2.86Å; E600-K703 WeakPolarHBondContact O-CA 3.44Å; E600-K703 VanDerWaalsContact OE1-CE 3.31Å; E600-K703 WeakPolarHBondContact OE1-CE 3.15Å; E600-K704 PolarHBondContact O-N 2.85Å; E600-F743 HydrophobicContact CB-CD1 3.72Å; E600-F743 HydrophobicContact CB-CE1 3.69Å; E600-F743 HydrophobicContact CB-CG 4.38Å; E600-F743 HydrophobicContact CB-CZ 4.32Å; E600-F743 VanDerWaalsContact CD-CA 3.41Å; E600-F743 HydrophobicContact CG-CB 4.27Å; E600-F743 HydrophobicContact CG-CD1 3.64Å; E600-F743 HydrophobicContact CG-CD2 4.22Å; E600-F743 HydrophobicContact CG-CE1 3.96Å; E600-F743 HydrophobicContact CG-CG 3.78Å; E600-F743 HydrophobicContact CG-CZ 4.37Å; E600-F743 VanDerWaalsContact OE1-CA 3.31Å; E600-F743 WeakPolarHBondContact OE1-CA 3.2Å; E600-A744 VanDerWaalsContact CD-N 3.28Å; E600-A744 PolarHBondContact OE1-N 2.79Å; E600-A744 PolarHBondContact OE2-N 2.83Å
601	I	98.1	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.6	170.3	-53.2	-61.7	0	0	0	109.2	P179 V458 F459 P599 L650 F701 Y702 K703	P179-I601 HydrophobicContact CG-CD1 4.12Å; P179-I601 HydrophobicContact CG-CG1 4.19Å; V458-I601 HydrophobicContact CG1-CB 3.92Å; V458-I601 HydrophobicContact CG1-CG1 3.49Å; V458-I601 VanDerWaalsContact CG1-CG1 3.49Å; V458-I601 PolarHBondContact O-N 3.2Å; F459-I601 HydrophobicContact CD1-CB 3.91Å; F459-I601 HydrophobicContact CD1-CG2 4.01Å; F459-I601 HydrophobicContact CE1-CB 3.79Å; F459-I601 HydrophobicContact CE1-CG1 4.49Å; F459-I601 HydrophobicContact CE1-CG2 3.61Å; P599-I601 VanDerWaalsContact C-N 3.35Å; I601-L650 HydrophobicContact CD1-CD1 3.69Å; I601-F701 HydrophobicContact CG2-CB 4.37Å; I601-F701 HydrophobicContact CG2-CD1 4Å; I601-Y702 CarbonylContact C-O 3.52Å; I601-Y702 VanDerWaalsContact CA-O 3.28Å; I601-Y702 WeakPolarHBondContact CA-O 3.29Å; I601-K703 HydrophobicContact CD1-CB 3.58Å; I601-K703 HydrophobicContact CD1-CD 4.23Å; I601-K703 HydrophobicContact CD1-CG 3.65Å
602	L	98.2	Very high	93.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.8	172.3	179.7	77.9	0	0	0	109.7	F482 I485 P599 I604 L632 Y647 Y702	F482-L602 HydrophobicContact CE2-CD1 4.03Å; F482-L602 HydrophobicContact CZ-CD1 4.41Å; I485-L602 HydrophobicContact CD1-CD1 4.11Å; P599-L602 HydrophobicContact CG-CB 4.2Å; P599-L602 HydrophobicContact CG-CD1 4.04Å; L602-I604 HydrophobicContact CD2-CD1 3.72Å; L602-I604 HydrophobicContact CD2-CG1 3.84Å; L602-I604 HydrophobicContact CG-CD1 4.41Å; L602-I604 HydrophobicContact CG-CG1 3.97Å; L602-L632 HydrophobicContact CD2-CD1 3.98Å; L602-L632 HydrophobicContact CD2-CD2 4.34Å; L602-Y647 HydrophobicContact CB-CD1 4.03Å; L602-Y647 HydrophobicContact CB-CE1 3.69Å; L602-Y702 PolarHBondContact N-O 3.06Å; L602-Y702 PolarHBondContact O-N 3.19Å
603	C	98.3	Very high	92.7	Very high	1 Å²	1	44 Å²	44	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.9	167.5	-174.1	0	0	0	0	110.2	Q483 D484 I485 V699 F701	Q483-C603 WeakPolarHBondContact O-CB 3.32Å; D484-C603 WeakPolarHBondContact CA-O 3.33Å; D484-C603 HydrophobicContact CB-CB 4.02Å; I485-C603 PolarHBondContact N-O 3.4Å; C603-V699 VanDerWaalsContact SG-CG1 3.53Å; C603-F701 HydrophobicContact CB-CD1 4.45Å; C603-F701 HydrophobicContact CB-CE1 4.3Å
604	I	98.5	Very high	91.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.9	174.7	-59	178.6	0	0	0	109.2	L487 L559 L602 L606 L630 V699 L700 Y702	L487-I604 HydrophobicContact CD1-CG2 3.47Å; L487-I604 VanDerWaalsContact CD1-CG2 3.47Å; L487-I604 HydrophobicContact CG-CG2 3.89Å; L559-I604 HydrophobicContact CD1-CD1 4.13Å; L559-I604 HydrophobicContact CD1-CG2 4.19Å; L559-I604 HydrophobicContact CD2-CD1 4.07Å; L559-I604 HydrophobicContact CG-CD1 4.42Å; L602-I604 HydrophobicContact CD2-CD1 3.72Å; L602-I604 HydrophobicContact CD2-CG1 3.84Å; L602-I604 HydrophobicContact CG-CD1 4.41Å; L602-I604 HydrophobicContact CG-CG1 3.97Å; I604-L606 HydrophobicContact CG2-CD2 4.38Å; I604-L630 HydrophobicContact CD1-CD2 4.32Å; I604-V699 CarbonylContact O-C 3.59Å; I604-V699 VanDerWaalsContact O-CA 3.26Å; I604-V699 WeakPolarHBondContact O-CA 3.23Å; I604-L700 HydrophobicContact CG2-CD1 4.49Å; I604-L700 PolarHBondContact N-O 2.82Å; I604-L700 PolarHBondContact O-N 2.89Å; I604-Y702 HydrophobicContact CD1-CD2 4.1Å; I604-Y702 HydrophobicContact CD1-CE2 4.33Å
605	H	98.3	Very high	91.1	Very high	19 Å²	19	54.1 Å²	54.1	9%	0.088	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.9	168.9	160.4	-144.6	0	0	0	109.6	Q244 I485 S486 L487 Y698 V699	Q244-H605 HydrophobicContact CG-CB 3.92Å; Q244-H605 PolarHBondContact NE2-ND1 3.37Å; I485-H605 PolarHBondContact O-N 2.77Å; S486-H605 CarbonylContact C-O 3.52Å; S486-H605 WeakPolarHBondContact CA-O 3.22Å; S486-H605 WeakPolarHBondContact CB-ND1 3.48Å; S486-H605 PolarHBondContact OG-ND1 2.67Å; L487-H605 PolarHBondContact N-O 3.45Å; H605-Y698 AromaticContact CD2-CE2 3.39Å; H605-Y698 WeakPolarHBondContact CD2-CE2 3.43Å; H605-Y698 AromaticContact CD2-CZ 3.57Å; H605-Y698 PolarHBondContact CD2-OH 2.83Å; H605-Y698 AromaticContact NE2-CE2 3.29Å; H605-Y698 VanDerWaalsContact NE2-CE2 3.29Å; H605-Y698 WeakPolarHBondContact NE2-CE2 3.14Å; H605-Y698 AromaticContact NE2-CZ 3.49Å; H605-Y698 PolarHBondContact NE2-OH 2.79Å; H605-V699 HydrophobicContact CB-CG2 4.34Å
606	L	97.8	Very high	90.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.5	171.2	-65	-179	0	0	0	109.2	L487 I489 L559 C562 I604 R608 V623 Y698 L700	L487-L606 HydrophobicContact CB-CD2 4.23Å; L487-L606 HydrophobicContact CD1-CD2 4.34Å; I489-L606 HydrophobicContact CD1-CB 4.35Å; I489-L606 HydrophobicContact CG1-CB 4.45Å; L559-L606 HydrophobicContact CD1-CD2 4.16Å; C562-L606 HydrophobicContact CB-CD2 4.44Å; I604-L606 HydrophobicContact CG2-CD2 4.38Å; L606-R608 PolarHBondContact O-N 2.76Å; L606-V623 HydrophobicContact CD1-CB 4.03Å; L606-V623 HydrophobicContact CD1-CG1 4.14Å; L606-V623 HydrophobicContact CD1-CG2 4.2Å; L606-Y698 PolarHBondContact N-O 2.84Å; L606-L700 HydrophobicContact CD1-CD1 4.02Å; L606-L700 HydrophobicContact CG-CD1 4.04Å
607	K	95.8	Very high	90.3	Very high	98 Å²	98	58.3 Å²	58.3	43%	0.426	28%	0.281	S	S	.	.			trans	-65.8	76.6	-178.1	-71.7	175.2	169	163.6	0	112.1	S486 L487 I619	S486-K607 WeakPolarHBondContact O-CE 3.5Å; S486-K607 PolarHBondContact O-NZ 2.84Å; S486-K607 VanDerWaalsContact O-NZ 3.13Å; L487-K607 WeakPolarHBondContact O-CB 3.36Å; L487-K607 WeakPolarHBondContact O-CG 3.5Å; L487-K607 PolarHBondContact O-N 3.28Å; K607-I619 WeakPolarHBondContact O-CD1 3.44Å
608	R	94.5	Very high	90.3	Very high	1 Å²	1	57 Å²	57	0%	0.004	27%	0.271	C	S	.	.			trans	-79.7	-24.6	-178.6	-74.1	-168.3	-177.1	-76.2	-8.4	113.8	I489 L606 K618 I619 T621 E696 A697 Y698	I489-R608 HydrophobicContact CD1-CG 3.86Å; L606-R608 PolarHBondContact O-N 2.76Å; R608-K618 HydrophobicContact CB-CG 4.45Å; R608-K618 CarbonylContact O-C 3.45Å; R608-K618 WeakPolarHBondContact O-CA 3.4Å; R608-I619 PolarHBondContact NH1-O 2.87Å; R608-I619 WeakPolarHBondContact O-CG1 3.42Å; R608-I619 PolarHBondContact O-N 2.77Å; R608-T621 PolarHBondContact NH1-O 3.25Å; R608-E696 IonicContact CZ-OE1 3.94Å; R608-E696 IonicContact NE-OE1 2.71Å; R608-E696 IonicContact NH1-OE1 3.05Å; R608-E696 PolarHBondContact NH1-OE1 2.89Å; R608-A697 VanDerWaalsContact CZ-O 3.25Å; R608-A697 PolarHBondContact NE-O 2.93Å; R608-A697 PolarHBondContact NH2-O 2.74Å; R608-Y698 HydrophobicContact CB-CD2 4.27Å; R608-Y698 HydrophobicContact CG-CD2 4.34Å
609	F	90.3	Very high	90.1	Very high	36 Å²	36	57.7 Å²	57.7	16%	0.158	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135	-178.1	-53.3	-63.4	0	0	0	111.3	K618 H655 A659 Y698	F609-K618 HydrophobicContact CD1-CB 4.21Å; F609-K618 HydrophobicContact CD1-CG 4.1Å; F609-K618 HydrophobicContact CE1-CB 4.27Å; F609-K618 HydrophobicContact CE1-CD 4.16Å; F609-K618 HydrophobicContact CE1-CG 3.85Å; F609-H655 AromaticContact CE1-ND1 3.97Å; F609-H655 AromaticContact CZ-CG 3.99Å; F609-H655 AromaticContact CZ-ND1 3.64Å; F609-A659 HydrophobicContact CD1-CB 3.83Å; F609-A659 HydrophobicContact CE1-CB 4.43Å; F609-Y698 HydrophobicContact CD2-CE2 4.11Å; F609-Y698 HydrophobicContact CE2-CD2 4.31Å; F609-Y698 AromaticContact CE2-CE2 3.75Å; F609-Y698 HydrophobicContact CE2-CE2 3.75Å
610	R	84.7	Confident	89.7	Confident	137 Å²	137	60.4 Å²	60.4	52%	0.517	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124	169.8	-65.2	-172.7	-179.3	-156.8	1.2	108.4	S616 T617 I619	R610-S616 CarbonylContact O-C 3.55Å; R610-S616 VanDerWaalsContact O-CA 3.31Å; R610-S616 WeakPolarHBondContact O-CA 3.32Å; R610-T617 PolarHBondContact N-O 3.42Å; R610-T617 PolarHBondContact O-N 2.61Å; R610-I619 HydrophobicContact CG-CD1 4.32Å
611	H	77.6	Confident	89.4	Confident	131 Å²	131	63 Å²	63	61%	0.606	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.7	177.8	-57.2	-80.3	0	0	0	108.5	S616	H611-S616 WeakPolarHBondContact ND1-CB 3.48Å; H611-S616 PolarHBondContact ND1-OG 3.34Å
612	E	78.4	Confident	89.1	Confident	92 Å²	92	66.4 Å²	66.4	43%	0.43	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	159	175	-68.1	170.7	-134.6	0	0	107.9	M614 Y615	E612-M614 PolarHBondContact O-N 2.96Å; E612-Y615 HydrophobicContact CB-CD2 4.24Å; E612-Y615 HydrophobicContact CB-CE2 3.97Å; E612-Y615 VanDerWaalsContact CD-CE2 3.42Å; E612-Y615 HydrophobicContact CG-CE2 4.17Å; E612-Y615 PolarHBondContact N-O 3.06Å; E612-Y615 PolarHBondContact O-N 3.2Å; E612-Y615 VanDerWaalsContact O-N 3.17Å; E612-Y615 VanDerWaalsContact OE2-CE2 3.3Å; E612-Y615 WeakPolarHBondContact OE2-CE2 3.08Å; E612-Y615 PolarHBondContact OE2-OH 3.23Å
613	L	75.5	Confident	88.9	Confident	188 Å²	188	66.5 Å²	66.5	98%	0.984	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24	-168.5	-93.1	72.3	0	0	0	115.2
614	M	74.9	Confident	88.8	Confident	181 Å²	181	68.8 Å²	68.8	89%	0.892	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-11.1	-176.6	-62.5	-176	176	0	0	114.5	E612	E612-M614 PolarHBondContact O-N 2.96Å
615	Y	79.3	Confident	88.8	Confident	128 Å²	128	69.1 Å²	69.1	50%	0.502	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	159.4	-179.7	55.2	-108.2	0	0	0	113	E612 T617	E612-Y615 HydrophobicContact CB-CD2 4.24Å; E612-Y615 HydrophobicContact CB-CE2 3.97Å; E612-Y615 VanDerWaalsContact CD-CE2 3.42Å; E612-Y615 HydrophobicContact CG-CE2 4.17Å; E612-Y615 PolarHBondContact N-O 3.06Å; E612-Y615 PolarHBondContact O-N 3.2Å; E612-Y615 VanDerWaalsContact O-N 3.17Å; E612-Y615 VanDerWaalsContact OE2-CE2 3.3Å; E612-Y615 WeakPolarHBondContact OE2-CE2 3.08Å; E612-Y615 PolarHBondContact OE2-OH 3.23Å; Y615-T617 HydrophobicContact CD2-CG2 3.89Å; Y615-T617 HydrophobicContact CE2-CG2 4.22Å
616	S	84.4	Confident	88.7	Confident	58 Å²	58	69.7 Å²	69.7	41%	0.406	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132	171.3	-59.1	0	0	0	0	109.9	R610 H611	R610-S616 CarbonylContact O-C 3.55Å; R610-S616 VanDerWaalsContact O-CA 3.31Å; R610-S616 WeakPolarHBondContact O-CA 3.32Å; H611-S616 WeakPolarHBondContact ND1-CB 3.48Å; H611-S616 PolarHBondContact ND1-OG 3.34Å
617	T	89.4	Confident	88.6	Confident	60 Å²	60	70.3 Å²	70.3	37%	0.368	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.6	-178.4	55.8	0	0	0	0	111.9	R610 Y615	R610-T617 PolarHBondContact N-O 3.42Å; R610-T617 PolarHBondContact O-N 2.61Å; Y615-T617 HydrophobicContact CD2-CG2 3.89Å; Y615-T617 HydrophobicContact CE2-CG2 4.22Å
618	K	93.2	Very high	88.6	Confident	45 Å²	45	70.9 Å²	70.9	20%	0.196	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.7	175.3	-172.9	-168.4	178.1	-154.5	0	109.9	R608 F609 G620 H655 G657 A659 E696	R608-K618 HydrophobicContact CB-CG 4.45Å; R608-K618 CarbonylContact O-C 3.45Å; R608-K618 WeakPolarHBondContact O-CA 3.4Å; F609-K618 HydrophobicContact CD1-CB 4.21Å; F609-K618 HydrophobicContact CD1-CG 4.1Å; F609-K618 HydrophobicContact CE1-CB 4.27Å; F609-K618 HydrophobicContact CE1-CD 4.16Å; F609-K618 HydrophobicContact CE1-CG 3.85Å; K618-G620 PolarHBondContact O-N 2.73Å; K618-H655 PolarHBondContact NZ-O 2.83Å; K618-G657 WeakPolarHBondContact CD-O 3.49Å; K618-A659 HydrophobicContact CB-CB 4.4Å; K618-E696 WeakPolarHBondContact CE-OE1 3.09Å; K618-E696 IonicContact NZ-OE1 3.91Å; K618-E696 PolarHBondContact NZ-OE1 2.76Å; K618-E696 IonicContact NZ-OE2 3.72Å; K618-E696 PolarHBondContact NZ-OE2 2.8Å
619	I	90.8	Very high	88.7	Confident	27 Å²	27	72.8 Å²	72.8	14%	0.138	39%	0.387	C	S	.	.			trans	-78.4	95	173.4	-54.6	174.1	0	0	0	108.6	I489 K607 R608 R610 T621	I489-I619 HydrophobicContact CB-CG2 4.43Å; I489-I619 HydrophobicContact CD1-CB 4.35Å; I489-I619 HydrophobicContact CD1-CG2 4Å; I489-I619 HydrophobicContact CG2-CG2 4.29Å; K607-I619 WeakPolarHBondContact O-CD1 3.44Å; R608-I619 PolarHBondContact NH1-O 2.87Å; R608-I619 WeakPolarHBondContact O-CG1 3.42Å; R608-I619 PolarHBondContact O-N 2.77Å; R610-I619 HydrophobicContact CG-CD1 4.32Å; I619-T621 WeakPolarHBondContact CG2-OG1 3.49Å; I619-T621 PolarHBondContact O-N 2.81Å; I619-T621 VanDerWaalsContact O-N 3.16Å
620	G	88.2	Confident	89	Confident	61 Å²	61	71.1 Å²	71.1	63%	0.629	38%	0.38	S	S	*	.			trans	-75.3	15.9	173.4	0	0	0	0	0	114.8	K618 H622	K618-G620 PolarHBondContact O-N 2.73Å; G620-H622 PolarHBondContact O-N 3.26Å
621	T	90.6	Very high	89.5	Confident	61 Å²	61	67.7 Å²	67.7	37%	0.374	37%	0.372	S	S	.	.			trans	-67.4	123.5	177.1	-55.9	0	0	0	0	109.9	I489 V557 R608 I619 V623	I489-T621 HydrophobicContact CG2-CG2 4.21Å; V557-T621 HydrophobicContact CG2-CG2 3.72Å; R608-T621 PolarHBondContact NH1-O 3.25Å; I619-T621 WeakPolarHBondContact CG2-OG1 3.49Å; I619-T621 PolarHBondContact O-N 2.81Å; I619-T621 VanDerWaalsContact O-N 3.16Å; T621-V623 PolarHBondContact O-N 3.3Å
622	H	92.1	Very high	90.3	Very high	70 Å²	70	61.5 Å²	61.5	32%	0.324	34%	0.343	S	S	.	.			trans	-65.6	130.8	170.7	-172.9	-82.2	0	0	0	110	G620	G620-H622 PolarHBondContact O-N 3.26Å
623	V	95.1	Very high	91.1	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.7	174	178.3	0	0	0	0	106.3	I489 V557 L606 T621 F625	I489-V623 HydrophobicContact CD1-CG2 4.2Å; I489-V623 HydrophobicContact CG1-CG2 4.24Å; I489-V623 HydrophobicContact CG2-CG2 4.02Å; V557-V623 HydrophobicContact CB-CG2 4.47Å; V557-V623 HydrophobicContact CG1-CG2 4.37Å; V557-V623 CarbonylContact O-C 3.56Å; V557-V623 WeakPolarHBondContact O-CA 3.41Å; L606-V623 HydrophobicContact CD1-CB 4.03Å; L606-V623 HydrophobicContact CD1-CG1 4.14Å; L606-V623 HydrophobicContact CD1-CG2 4.2Å; T621-V623 PolarHBondContact O-N 3.3Å; V623-F625 VanDerWaalsContact O-CD1 3.31Å; V623-F625 WeakPolarHBondContact O-CD1 3.38Å
624	S	96.1	Very high	92	Very high	50 Å²	50	57.2 Å²	57.2	35%	0.35	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.6	177.1	-176.9	0	0	0	0	110.3	V557 T558 L559	V557-S624 PolarHBondContact O-N 3.44Å; T558-S624 CarbonylContact C-O 3.55Å; T558-S624 WeakPolarHBondContact CA-O 3.41Å; L559-S624 PolarHBondContact N-O 2.85Å
625	F	97.3	Very high	92.9	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.026	29%	0.287	C	S	.	.			trans	-133.3	142.4	-178.6	53.8	-91.1	0	0	0	110.6	L559 V623 L627 L649 V652 V692 A697 L700	L559-F625 HydrophobicContact CB-CB 4.03Å; L559-F625 HydrophobicContact CD2-CB 3.93Å; V623-F625 VanDerWaalsContact O-CD1 3.31Å; V623-F625 WeakPolarHBondContact O-CD1 3.38Å; F625-L627 HydrophobicContact CE2-CD2 4.34Å; F625-L649 HydrophobicContact CD2-CD2 3.84Å; F625-L649 HydrophobicContact CE2-CD2 3.69Å; F625-V652 HydrophobicContact CE2-CG2 3.9Å; F625-V652 HydrophobicContact CZ-CG1 4.46Å; F625-V652 HydrophobicContact CZ-CG2 4.17Å; F625-V692 WeakPolarHBondContact CZ-O 3.42Å; F625-A697 HydrophobicContact CD1-CB 4.02Å; F625-A697 HydrophobicContact CE1-CB 3.46Å; F625-A697 VanDerWaalsContact CE1-CB 3.46Å; F625-A697 HydrophobicContact CZ-CB 3.97Å; F625-L700 HydrophobicContact CB-CD2 3.92Å; F625-L700 HydrophobicContact CD1-CD2 3.89Å; F625-L700 HydrophobicContact CD2-CD2 3.63Å; F625-L700 HydrophobicContact CE1-CD2 4.34Å; F625-L700 HydrophobicContact CE2-CD2 4.09Å; F625-L700 HydrophobicContact CG-CD2 3.52Å; F625-L700 HydrophobicContact CZ-CD2 4.41Å
626	P	96.3	Very high	93.6	Very high	31 Å²	31	44.4 Å²	44.4	20%	0.201	27%	0.267	C	S	.	.			trans	-75.7	142.9	178.5	32.4	-36.4	0	0	0	111.2	L630 Y702	P626-L630 HydrophobicContact CG-CB 3.87Å; P626-L630 HydrophobicContact CG-CD1 4.18Å; P626-Y702 WeakPolarHBondContact O-CE1 3.35Å; P626-Y702 PolarHBondContact O-OH 3.28Å
627	L	96.9	Very high	93.9	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.068	25%	0.254	C	S	.	.	S	Bend	trans	-76.6	-29	170.1	-58.5	-172	0	0	0	112.4	F625 L649 W676 D689 V692 Q693	F625-L627 HydrophobicContact CE2-CD2 4.34Å; L627-L649 HydrophobicContact CD2-CD2 3.58Å; L627-L649 WeakPolarHBondContact O-CB 3.42Å; L627-L649 PolarHBondContact O-N 3.08Å; L627-W676 HydrophobicContact CD2-CZ2 4.23Å; L627-D689 HydrophobicContact CD1-CB 3.67Å; L627-D689 WeakPolarHBondContact CD1-OD2 3.31Å; L627-V692 HydrophobicContact CD2-CB 4.44Å; L627-V692 HydrophobicContact CD2-CG1 4.08Å; L627-Q693 HydrophobicContact CD1-CG 3.85Å; L627-Q693 HydrophobicContact CD2-CG 3.92Å; L627-Q693 HydrophobicContact CG-CG 3.75Å
628	E	96.1	Very high	93.7	Very high	110 Å²	110	49.8 Å²	49.8	51%	0.514	28%	0.281	S	S	.	.	S	Bend	trans	-142.1	147.2	-178	-62.3	-177.3	166	0	0	109.1	D648 R669	E628-D648 VanDerWaalsContact CA-OD1 3.24Å; E628-D648 WeakPolarHBondContact CA-OD1 3.45Å; E628-D648 HydrophobicContact CG-CB 4.36Å; E628-R669 IonicContact OE1-CZ 2.63Å; E628-R669 VanDerWaalsContact OE1-CZ 3.22Å; E628-R669 IonicContact OE1-NH1 3.68Å; E628-R669 PolarHBondContact OE1-NH1 2.83Å; E628-R669 IonicContact OE1-NH2 2.89Å; E628-R669 PolarHBondContact OE1-NH2 3.47Å
629	G	94.6	Very high	93.4	Very high	42 Å²	42	53.2 Å²	53.2	43%	0.433	30%	0.301	S	S	.	.			trans	76	34.2	174.6	0	0	0	0	0	116.6	D631 Y647 D648	G629-D631 PolarHBondContact O-N 2.91Å; G629-Y647 PolarHBondContact N-O 3.31Å; G629-D648 PolarHBondContact N-OD1 2.95Å
630	L	96.7	Very high	93.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	104.2	166.4	176.2	63.4	0	0	0	109.9	L559 Q560 L563 I604 P626 L632 S646 Y647 Y702	L559-L630 HydrophobicContact CD2-CD1 4.28Å; L559-L630 HydrophobicContact CD2-CD2 3.89Å; Q560-L630 HydrophobicContact CG-CD1 4.37Å; L563-L630 HydrophobicContact CD1-CD1 4.24Å; I604-L630 HydrophobicContact CD1-CD2 4.32Å; P626-L630 HydrophobicContact CG-CB 3.87Å; P626-L630 HydrophobicContact CG-CD1 4.18Å; L630-L632 HydrophobicContact CG-CD2 4.37Å; L630-S646 CarbonylContact O-C 3.45Å; L630-Y647 WeakPolarHBondContact CB-O 3.41Å; L630-Y647 PolarHBondContact N-O 2.82Å; L630-Y647 PolarHBondContact O-N 3.47Å; L630-Y702 HydrophobicContact CB-CD1 4.14Å; L630-Y702 HydrophobicContact CB-CE1 3.85Å; L630-Y702 HydrophobicContact CD2-CD1 3.84Å; L630-Y702 HydrophobicContact CD2-CD2 3.79Å; L630-Y702 HydrophobicContact CD2-CE1 3.79Å; L630-Y702 HydrophobicContact CD2-CE2 3.72Å; L630-Y702 HydrophobicContact CD2-CG 3.84Å; L630-Y702 HydrophobicContact CG-CE1 4.47Å
631	D	95.3	Very high	92.7	Very high	66 Å²	66	54.8 Å²	54.8	35%	0.353	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.2	176.9	178	35.2	0	0	0	112.7	G629 Q633 T645	G629-D631 PolarHBondContact O-N 2.91Å; D631-Q633 WeakPolarHBondContact OD1-CB 3.12Å; D631-Q633 PolarHBondContact OD1-N 2.71Å; D631-Q633 WeakPolarHBondContact OD2-CB 3.31Å; D631-T645 WeakPolarHBondContact OD1-CB 3.46Å; D631-T645 PolarHBondContact OD1-OG1 3.31Å
632	L	95.8	Very high	92.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.298	C	S	.	.			trans	-100	-3.9	175.5	-57.5	-177.8	0	0	0	114.4	L563 M595 L598 L602 L630 P634 F635 L636 T645 Y647	L563-L632 HydrophobicContact CD1-CD2 4.13Å; M595-L632 HydrophobicContact CE-CD1 4.25Å; M595-L632 HydrophobicContact CE-CD2 4.29Å; M595-L632 HydrophobicContact SD-CB 4.48Å; M595-L632 HydrophobicContact SD-CD1 3.94Å; L598-L632 HydrophobicContact CD1-CD1 4.43Å; L598-L632 HydrophobicContact CD2-CD1 3.85Å; L602-L632 HydrophobicContact CD2-CD1 3.98Å; L602-L632 HydrophobicContact CD2-CD2 4.34Å; L630-L632 HydrophobicContact CG-CD2 4.37Å; L632-P634 VanDerWaalsContact C-N 3.29Å; L632-P634 VanDerWaalsContact O-N 3.12Å; L632-F635 HydrophobicContact CD2-CD2 4.38Å; L632-F635 PolarHBondContact O-N 3.17Å; L632-L636 PolarHBondContact O-N 3.14Å; L632-T645 PolarHBondContact N-O 2.97Å; L632-Y647 HydrophobicContact CD1-CD2 3.75Å; L632-Y647 HydrophobicContact CD1-CE2 3.33Å; L632-Y647 HydrophobicContact CG-CD2 3.97Å; L632-Y647 HydrophobicContact CG-CE2 3.99Å
633	Q	94.3	Very high	91.7	Very high	113 Å²	113	58.3 Å²	58.3	53%	0.528	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-48.8	-37.6	-178.9	-178	72	-20.6	0	0	114.5	D631 F635 L636 T645	D631-Q633 WeakPolarHBondContact OD1-CB 3.12Å; D631-Q633 PolarHBondContact OD1-N 2.71Å; D631-Q633 WeakPolarHBondContact OD2-CB 3.31Å; Q633-F635 PolarHBondContact O-N 3.27Å; Q633-L636 PolarHBondContact O-N 2.58Å; Q633-T645 HydrophobicContact CB-CG2 4.34Å
634	P	93.9	Very high	91.5	Very high	78 Å²	78	58.9 Å²	58.9	51%	0.506	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21.6	176.2	-23.4	35.6	0	0	0	114.6	K594 L632	K594-P634 PolarHBondContact NZ-O 3.15Å; L632-P634 VanDerWaalsContact C-N 3.29Å; L632-P634 VanDerWaalsContact O-N 3.12Å
635	F	94.3	Very high	91.5	Very high	20 Å²	20	57.8 Å²	57.8	9%	0.088	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-101.8	-4.7	-173.5	-50	-63	0	0	0	113.6	L563 A564 F567 K594 M595 L632 Q633	L563-F635 HydrophobicContact CB-CD2 4.27Å; L563-F635 HydrophobicContact CB-CE1 4.05Å; L563-F635 HydrophobicContact CB-CE2 3.67Å; L563-F635 HydrophobicContact CB-CZ 3.54Å; L563-F635 HydrophobicContact CD1-CD2 4.46Å; L563-F635 HydrophobicContact CD1-CE2 3.96Å; L563-F635 HydrophobicContact CG-CE2 4.36Å; A564-F635 HydrophobicContact CB-CE1 4.31Å; F567-F635 HydrophobicContact CB-CD1 3.89Å; F567-F635 HydrophobicContact CD2-CB 3.8Å; F567-F635 AromaticContact CD2-CD1 3.56Å; F567-F635 HydrophobicContact CD2-CD1 3.56Å; F567-F635 HydrophobicContact CD2-CE1 4.36Å; F567-F635 AromaticContact CD2-CG 3.76Å; F567-F635 HydrophobicContact CD2-CG 3.76Å; F567-F635 HydrophobicContact CE2-CB 4.01Å; F567-F635 HydrophobicContact CE2-CD1 4.47Å; F567-F635 HydrophobicContact CE2-CG 4.24Å; F567-F635 HydrophobicContact CG-CB 4.25Å; F567-F635 AromaticContact CG-CD1 3.98Å; F567-F635 HydrophobicContact CG-CD1 3.98Å; F567-F635 HydrophobicContact CG-CG 4.41Å; K594-F635 CarbonylContact C-O 3.57Å; K594-F635 WeakPolarHBondContact CA-O 3.28Å; K594-F635 WeakPolarHBondContact CD-O 3.34Å; M595-F635 PolarHBondContact N-O 2.71Å; L632-F635 HydrophobicContact CD2-CD2 4.38Å; L632-F635 PolarHBondContact O-N 3.17Å; Q633-F635 PolarHBondContact O-N 3.27Å
636	L	94.3	Very high	91.4	Very high	19 Å²	19	59.3 Å²	59.3	10%	0.099	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-74.9	153.8	177.5	-81	178.8	0	0	0	114.3	K594 M595 L598 L632 Q633 A642 T645	K594-L636 WeakPolarHBondContact CD-O 3.45Å; M595-L636 HydrophobicContact CB-CD2 3.94Å; M595-L636 CarbonylContact O-C 3.52Å; M595-L636 WeakPolarHBondContact O-CA 3.38Å; M595-L636 WeakPolarHBondContact O-CD2 3.17Å; L598-L636 HydrophobicContact CD1-CD1 4.21Å; L598-L636 HydrophobicContact CD1-CD2 4.03Å; L598-L636 HydrophobicContact CD1-CG 4.4Å; L598-L636 HydrophobicContact CD2-CD2 3.84Å; L598-L636 HydrophobicContact CG-CD2 3.81Å; L632-L636 PolarHBondContact O-N 3.14Å; Q633-L636 PolarHBondContact O-N 2.58Å; L636-A642 HydrophobicContact CD1-CB 4.34Å; L636-T645 HydrophobicContact CD1-CG2 3.61Å
637	A	91	Very high	91.5	Very high	14 Å²	14	57.9 Å²	57.9	12%	0.116	32%	0.319	C	S	.	.			trans	-73.2	153	164.9	0	0	0	0	0	110.9	V464 K594 M595 D639 S640	V464-A637 HydrophobicContact CG1-CB 3.94Å; K594-A637 HydrophobicContact CB-CB 4.11Å; M595-A637 PolarHBondContact O-N 3.05Å; A637-D639 PolarHBondContact O-N 3.45Å; A637-S640 WeakPolarHBondContact O-CB 3.47Å; A637-S640 PolarHBondContact O-N 3Å
638	K	85.5	Confident	91.5	Very high	218 Å²	218	59 Å²	59	95%	0.948	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18	-174.7	-67	-173.8	178.4	-177.8	0	113.9
639	D	86.3	Confident	91.6	Very high	116 Å²	116	53.8 Å²	53.8	62%	0.62	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	9.1	-176.9	54.5	-63.2	0	0	0	112.3	Q596 A637	Q596-D639 PolarHBondContact NE2-OD2 3.47Å; A637-D639 PolarHBondContact O-N 3.45Å
640	S	85	Confident	91.8	Very high	27 Å²	27	52.8 Å²	52.8	19%	0.189	29%	0.286	C	S	.	.			trans	-63.1	141.6	171.1	-173.9	0	0	0	0	111.3	Q596 A637 A642	Q596-S640 WeakPolarHBondContact O-CB 3.41Å; Q596-S640 PolarHBondContact O-OG 3.39Å; A637-S640 WeakPolarHBondContact O-CB 3.47Å; A637-S640 PolarHBondContact O-N 3Å; S640-A642 PolarHBondContact OG-N 2.98Å
641	S	80.1	Confident	91.8	Very high	94 Å²	94	52.8 Å²	52.8	66%	0.657	29%	0.286	S	S	*	.			trans	-95.4	3.2	178	55	0	0	0	0	114	Q643	S641-Q643 PolarHBondContact O-N 3.28Å
642	A	80.6	Confident	92	Very high	27 Å²	27	49.7 Å²	49.7	22%	0.223	27%	0.269	C	S	.	.			trans	-61.6	131.1	-179.2	0	0	0	0	0	111.6	L598 L636 S640	L598-A642 HydrophobicContact CD1-CB 3.99Å; L598-A642 HydrophobicContact CG-CB 4.25Å; L636-A642 HydrophobicContact CD1-CB 4.34Å; S640-A642 PolarHBondContact OG-N 2.98Å
643	Q	81.4	Confident	92.1	Very high	178 Å²	178	49.7 Å²	49.7	83%	0.832	27%	0.269	S	S	*	.	S	Bend	trans	-97.6	-26	177.4	-54.2	179	11.9	0	0	110.8	S641 E745	S641-Q643 PolarHBondContact O-N 3.28Å; Q643-E745 WeakPolarHBondContact CA-OE1 3.32Å; Q643-E745 WeakPolarHBondContact CB-OE1 3.47Å; Q643-E745 PolarHBondContact N-OE1 2.85Å
644	T	90.5	Very high	92.3	Very high	15 Å²	15	44.3 Å²	44.3	9%	0.092	24%	0.244	C	C	.	.			trans	-115.9	116.6	-177.9	-46.4	0	0	0	0	110.6	K704 S705 A744 E745	T644-K704 HydrophobicContact CG2-CB 4.24Å; T644-S705 WeakPolarHBondContact CG2-O 3.22Å; T644-A744 HydrophobicContact CG2-CB 4.14Å; T644-E745 WeakPolarHBondContact CB-OE1 3.49Å; T644-E745 PolarHBondContact N-OE1 3.38Å; T644-E745 PolarHBondContact OG1-OE1 3Å
645	T	94.6	Very high	92.4	Very high	26 Å²	26	41 Å²	41	16%	0.16	22%	0.222	C	C	.	.			trans	-115.6	-8.1	179.7	67	0	0	0	0	114.5	L598 D631 L632 Q633 L636 Y647	L598-T645 HydrophobicContact CD1-CG2 4.31Å; D631-T645 WeakPolarHBondContact OD1-CB 3.46Å; D631-T645 PolarHBondContact OD1-OG1 3.31Å; L632-T645 PolarHBondContact N-O 2.97Å; Q633-T645 HydrophobicContact CB-CG2 4.34Å; L636-T645 HydrophobicContact CD1-CG2 3.61Å; T645-Y647 WeakPolarHBondContact O-CD2 3.38Å
646	S	95.9	Very high	92.3	Very high	39 Å²	39	44.4 Å²	44.4	27%	0.273	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	140.2	178.7	-171.2	0	0	0	0	110.9	L630 S705	L630-S646 CarbonylContact O-C 3.45Å; S646-S705 PolarHBondContact O-N 2.84Å
647	Y	97.8	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.9	-179.6	-76.8	-103.4	0	0	0	112.7	L598 P599 L602 G629 L630 L632 T645 K703 K704	L598-Y647 WeakPolarHBondContact CB-OH 3.17Å; L598-Y647 HydrophobicContact CD1-CE2 4.4Å; P599-Y647 PolarHBondContact O-OH 2.78Å; L602-Y647 HydrophobicContact CB-CD1 4.03Å; L602-Y647 HydrophobicContact CB-CE1 3.69Å; G629-Y647 PolarHBondContact N-O 3.31Å; L630-Y647 WeakPolarHBondContact CB-O 3.41Å; L630-Y647 PolarHBondContact N-O 2.82Å; L630-Y647 PolarHBondContact O-N 3.47Å; L632-Y647 HydrophobicContact CD1-CD2 3.75Å; L632-Y647 HydrophobicContact CD1-CE2 3.33Å; L632-Y647 HydrophobicContact CG-CD2 3.97Å; L632-Y647 HydrophobicContact CG-CE2 3.99Å; T645-Y647 WeakPolarHBondContact O-CD2 3.38Å; Y647-K703 CarbonylContact C-O 3.49Å; Y647-K703 WeakPolarHBondContact CA-O 3.25Å; Y647-K704 HydrophobicContact CD1-CG 4.36Å; Y647-K704 VanDerWaalsContact CD1-N 3.34Å; Y647-K704 HydrophobicContact CE1-CB 4.34Å; Y647-K704 HydrophobicContact CE1-CG 3.6Å; Y647-K704 HydrophobicContact CE2-CG 4.04Å; Y647-K704 VanDerWaalsContact CZ-CG 3.41Å; Y647-K704 WeakPolarHBondContact OH-CE 3.35Å; Y647-K704 WeakPolarHBondContact OH-CG 3.18Å
648	D	97.5	Very high	92.1	Very high	37 Å²	37	48.5 Å²	48.5	20%	0.198	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.8	174.3	-57.5	-26.7	0	0	0	110.2	E628 G629 Y702 K703 S705	E628-D648 VanDerWaalsContact CA-OD1 3.24Å; E628-D648 WeakPolarHBondContact CA-OD1 3.45Å; E628-D648 HydrophobicContact CG-CB 4.36Å; G629-D648 PolarHBondContact N-OD1 2.95Å; D648-Y702 CarbonylContact O-C 3.54Å; D648-Y702 WeakPolarHBondContact O-CA 3.43Å; D648-K703 PolarHBondContact N-O 3.1Å; D648-K703 PolarHBondContact O-N 3.12Å; D648-S705 WeakPolarHBondContact OD2-CB 3.2Å; D648-S705 PolarHBondContact OD2-OG 3.38Å
649	L	98.4	Very high	92	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.3	-173	-170.5	71.1	0	0	0	110.8	F625 L627 V652 W676 V692 L700 Y702	F625-L649 HydrophobicContact CD2-CD2 3.84Å; F625-L649 HydrophobicContact CE2-CD2 3.69Å; L627-L649 HydrophobicContact CD2-CD2 3.58Å; L627-L649 WeakPolarHBondContact O-CB 3.42Å; L627-L649 PolarHBondContact O-N 3.08Å; L649-V652 HydrophobicContact CD1-CG2 4.03Å; L649-V652 HydrophobicContact CD2-CG2 3.6Å; L649-V652 HydrophobicContact CG-CG2 4.14Å; L649-W676 HydrophobicContact CB-CH2 4.27Å; L649-W676 HydrophobicContact CB-CZ2 4.41Å; L649-W676 HydrophobicContact CD2-CH2 3.83Å; L649-W676 HydrophobicContact CD2-CZ2 4.19Å; L649-W676 HydrophobicContact CG-CH2 3.86Å; L649-W676 HydrophobicContact CG-CZ2 4.41Å; L649-V692 HydrophobicContact CD2-CG1 4.46Å; L649-L700 HydrophobicContact CD1-CB 3.99Å; L649-L700 HydrophobicContact CD1-CD2 4.09Å; L649-Y702 HydrophobicContact CB-CD1 4.13Å; L649-Y702 HydrophobicContact CB-CE1 3.72Å; L649-Y702 HydrophobicContact CD1-CD1 4.16Å; L649-Y702 HydrophobicContact CD1-CD2 3.89Å; L649-Y702 HydrophobicContact CD1-CE1 3.83Å; L649-Y702 HydrophobicContact CD1-CE2 3.55Å; L649-Y702 HydrophobicContact CD1-CG 4.19Å; L649-Y702 HydrophobicContact CG-CE1 4.34Å
650	L	97.8	Very high	91.9	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-45.4	173.2	-64.2	-172.9	0	0	0	112.3	I601 C668 R669 W676 F701 K703	I601-L650 HydrophobicContact CD1-CD1 3.69Å; L650-C668 WeakPolarHBondContact O-CA 3.33Å; L650-R669 PolarHBondContact O-N 3.27Å; L650-W676 WeakPolarHBondContact O-CZ3 3.47Å; L650-F701 PolarHBondContact N-O 3.36Å; L650-K703 HydrophobicContact CD1-CB 3.84Å; L650-K703 HydrophobicContact CD1-CD 4.49Å; L650-K703 HydrophobicContact CD2-CB 3.99Å; L650-K703 HydrophobicContact CD2-CD 4.34Å; L650-K703 HydrophobicContact CG-CB 3.76Å
651	S	98.3	Very high	91.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	156.1	-176.1	60.1	0	0	0	0	113.8	Y667 C668 F701	S651-Y667 CarbonylContact C-O 3.54Å; S651-Y667 WeakPolarHBondContact CA-O 3.34Å; S651-Y667 VanDerWaalsContact CB-O 3.23Å; S651-Y667 WeakPolarHBondContact CB-O 3.47Å; S651-C668 VanDerWaalsContact CB-SG 3.58Å; S651-F701 PolarHBondContact N-O 2.98Å; S651-F701 PolarHBondContact O-N 3.45Å; S651-F701 WeakPolarHBondContact OG-CB 3.42Å; S651-F701 WeakPolarHBondContact OG-CD2 3.27Å
652	V	98.4	Very high	92.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119	177.9	-176.1	0	0	0	0	108.9	F625 L649 A666 Y667 V692 A697 V699 L700	F625-V652 HydrophobicContact CE2-CG2 3.9Å; F625-V652 HydrophobicContact CZ-CG1 4.46Å; F625-V652 HydrophobicContact CZ-CG2 4.17Å; L649-V652 HydrophobicContact CD1-CG2 4.03Å; L649-V652 HydrophobicContact CD2-CG2 3.6Å; L649-V652 HydrophobicContact CG-CG2 4.14Å; V652-A666 CarbonylContact O-C 3.57Å; V652-A666 WeakPolarHBondContact O-CA 3.39Å; V652-Y667 PolarHBondContact N-O 2.82Å; V652-Y667 PolarHBondContact O-N 3.38Å; V652-V692 HydrophobicContact CG2-CG1 4.2Å; V652-A697 HydrophobicContact CG1-CB 3.42Å; V652-A697 VanDerWaalsContact CG1-CB 3.42Å; V652-V699 CarbonylContact C-O 3.56Å; V652-V699 WeakPolarHBondContact CA-O 3.42Å; V652-L700 HydrophobicContact CG1-CG 4.49Å; V652-L700 HydrophobicContact CG2-CD2 4.27Å; V652-L700 HydrophobicContact CG2-CG 4.45Å
653	I	98.6	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	131.5	165.8	-58.5	175.9	0	0	0	107.8	A169 A170 A173 L247 Y664 I665 A666 Y698 V699 F701	A169-I653 HydrophobicContact CB-CG2 4.04Å; A170-I653 HydrophobicContact CB-CD1 4.3Å; A173-I653 HydrophobicContact CB-CD1 3.98Å; A173-I653 HydrophobicContact CB-CG1 3.97Å; L247-I653 HydrophobicContact CD1-CD1 3.87Å; I653-Y664 HydrophobicContact CG2-CD1 3.84Å; I653-Y664 HydrophobicContact CG2-CE1 4.49Å; I653-I665 WeakPolarHBondContact CA-O 3.19Å; I653-A666 HydrophobicContact CG1-CB 4.48Å; I653-Y698 WeakPolarHBondContact O-CA 3.46Å; I653-Y698 WeakPolarHBondContact O-CB 3.44Å; I653-Y698 PolarHBondContact O-N 2.88Å; I653-V699 HydrophobicContact CB-CB 4.19Å; I653-V699 HydrophobicContact CD1-CB 4.28Å; I653-V699 PolarHBondContact N-O 3.17Å; I653-V699 PolarHBondContact O-N 2.96Å; I653-F701 HydrophobicContact CD1-CE2 4.14Å
654	C	97.6	Very high	93.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.7	177.5	-67.5	0	0	0	0	110.6	Y664 I665	C654-Y664 WeakPolarHBondContact O-CA 3.49Å; C654-I665 HydrophobicContact CB-CG1 3.99Å; C654-I665 PolarHBondContact N-O 3.03Å; C654-I665 PolarHBondContact O-N 3.35Å
655	H	96	Very high	94.3	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.046	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.8	176.2	-178.8	-99.8	0	0	0	111.7	F609 K618 T658 G662 H663 Y664	F609-H655 AromaticContact CE1-ND1 3.97Å; F609-H655 AromaticContact CZ-CG 3.99Å; F609-H655 AromaticContact CZ-ND1 3.64Å; K618-H655 PolarHBondContact NZ-O 2.83Å; H655-T658 PolarHBondContact CE1-O 2.77Å; H655-T658 VanDerWaalsContact CE1-O 3.22Å; H655-G662 WeakPolarHBondContact NE2-CA 3.48Å; H655-H663 WeakPolarHBondContact CA-O 3.2Å; H655-Y664 HydrophobicContact CB-CD1 4Å; H655-Y664 HydrophobicContact CB-CE1 3.7Å; H655-Y664 AromaticContact CD2-CD1 3.91Å; H655-Y664 AromaticContact CD2-CD2 3.8Å; H655-Y664 AromaticContact CD2-CE1 3.62Å; H655-Y664 AromaticContact CD2-CE2 3.52Å; H655-Y664 AromaticContact CD2-CZ 3.42Å; H655-Y664 VanDerWaalsContact CD2-CZ 3.42Å; H655-Y664 AromaticContact CG-CE1 3.94Å
656	H	93.1	Very high	94.5	Very high	90 Å²	90	28.9 Å²	28.9	42%	0.417	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.3	-179.8	-59.6	-91.7	0	0	0	109.8	G662 H663 I665	H656-G662 CarbonylContact O-C 3.52Å; H656-G662 WeakPolarHBondContact O-CA 3.42Å; H656-H663 PolarHBondContact N-O 2.93Å; H656-H663 PolarHBondContact O-N 3.48Å; H656-I665 WeakPolarHBondContact NE2-CD1 3.29Å
657	G	91.4	Very high	94.6	Very high	41 Å²	41	27.7 Å²	27.7	42%	0.423	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	145.9	-163.8	-175.5	0	0	0	0	0	113.7	K618 S661	K618-G657 WeakPolarHBondContact CD-O 3.49Å; G657-S661 WeakPolarHBondContact CA-O 3.37Å
658	T	89.3	Confident	94.6	Very high	78 Å²	78	27.7 Å²	27.7	48%	0.479	17%	0.173	S	C	.	.			trans	-90	-166.1	179	70.9	0	0	0	0	111.2	H655 S660 S661	H655-T658 PolarHBondContact CE1-O 2.77Å; H655-T658 VanDerWaalsContact CE1-O 3.22Å; T658-S660 VanDerWaalsContact C-N 3.31Å; T658-S660 PolarHBondContact OG1-N 3.36Å; T658-S660 VanDerWaalsContact OG1-N 3.09Å; T658-S660 PolarHBondContact OG1-OG 3.25Å; T658-S661 PolarHBondContact N-O 2.8Å; T658-S661 PolarHBondContact OG1-N 3.04Å; T658-S661 VanDerWaalsContact OG1-N 3.15Å; T658-S661 PolarHBondContact OG1-O 2.86Å
659	A	84.4	Confident	94.6	Very high	21 Å²	21	28.3 Å²	28.3	17%	0.174	17%	0.173	C	C	.	.	S	Bend	trans	-85.5	2.1	169.6	0	0	0	0	0	114	F609 K618	F609-A659 HydrophobicContact CD1-CB 3.83Å; F609-A659 HydrophobicContact CE1-CB 4.43Å; K618-A659 HydrophobicContact CB-CB 4.4Å
660	S	82.2	Confident	94.4	Very high	104 Å²	104	28.3 Å²	28.3	73%	0.727	17%	0.173	S	C	*	.	S	Bend	trans	-129.1	-13.9	-176.1	58.1	0	0	0	0	114.6	T658	T658-S660 VanDerWaalsContact C-N 3.31Å; T658-S660 PolarHBondContact OG1-N 3.36Å; T658-S660 VanDerWaalsContact OG1-N 3.09Å; T658-S660 PolarHBondContact OG1-OG 3.25Å
661	S	85.6	Confident	93.9	Very high	62 Å²	62	30 Å²	30	43%	0.434	19%	0.187	S	C	.	.	S	Bend	trans	-159.4	143	170.4	-177.9	0	0	0	0	110.3	Q240 G657 T658	Q240-S661 PolarHBondContact NE2-OG 3.01Å; Q240-S661 PolarHBondContact OE1-OG 2.8Å; G657-S661 WeakPolarHBondContact CA-O 3.37Å; T658-S661 PolarHBondContact N-O 2.8Å; T658-S661 PolarHBondContact OG1-N 3.04Å; T658-S661 VanDerWaalsContact OG1-N 3.15Å; T658-S661 PolarHBondContact OG1-O 2.86Å
662	G	91.7	Very high	93.4	Very high	17 Å²	17	33.6 Å²	33.6	18%	0.175	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-165.7	175.8	0	0	0	0	0	112.8	Q240 H655 H656	Q240-G662 VanDerWaalsContact NE2-N 3.15Å; Q240-G662 PolarHBondContact NE2-O 3.16Å; H655-G662 WeakPolarHBondContact NE2-CA 3.48Å; H656-G662 CarbonylContact O-C 3.52Å; H656-G662 WeakPolarHBondContact O-CA 3.42Å
663	H	95.4	Very high	93	Very high	59 Å²	59	36.3 Å²	36.3	27%	0.273	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.9	-173.7	-172.6	52	0	0	0	110.8	C165 H655 H656 D680 D681	C165-H663 WeakPolarHBondContact CB-CE1 3.35Å; C165-H663 WeakPolarHBondContact CB-ND1 3.48Å; C165-H663 PolarHBondContact SG-ND1 2.64Å; H655-H663 WeakPolarHBondContact CA-O 3.2Å; H656-H663 PolarHBondContact N-O 2.93Å; H656-H663 PolarHBondContact O-N 3.48Å; H663-D680 IonicContact CD2-OD1 2.96Å; H663-D680 IonicContact CE1-OD1 3.77Å; H663-D680 IonicContact NE2-OD1 2.68Å; H663-D680 PolarHBondContact NE2-OD1 3.29Å; H663-D681 IonicContact CE1-OD2 2.95Å; H663-D681 PolarHBondContact CE1-OD2 2.88Å
664	Y	98	Very high	92.6	Very high	13 Å²	13	40.9 Å²	40.9	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.7	-178.7	-75.4	-82.8	0	0	0	110.7	Y166 D242 I653 C654 H655 Y698	Y166-Y664 VanDerWaalsContact CB-CD2 3.48Å; D242-Y664 PolarHBondContact OD2-OH 2.91Å; I653-Y664 HydrophobicContact CG2-CD1 3.84Å; I653-Y664 HydrophobicContact CG2-CE1 4.49Å; C654-Y664 WeakPolarHBondContact O-CA 3.49Å; H655-Y664 HydrophobicContact CB-CD1 4Å; H655-Y664 HydrophobicContact CB-CE1 3.7Å; H655-Y664 AromaticContact CD2-CD1 3.91Å; H655-Y664 AromaticContact CD2-CD2 3.8Å; H655-Y664 AromaticContact CD2-CE1 3.62Å; H655-Y664 AromaticContact CD2-CE2 3.52Å; H655-Y664 AromaticContact CD2-CZ 3.42Å; H655-Y664 VanDerWaalsContact CD2-CZ 3.42Å; H655-Y664 AromaticContact CG-CE1 3.94Å; Y664-Y698 AromaticContact CE1-CD1 3.72Å; Y664-Y698 HydrophobicContact CE1-CD1 3.72Å; Y664-Y698 AromaticContact CE1-CE1 4Å; Y664-Y698 HydrophobicContact CE1-CE1 4Å
665	I	98.3	Very high	92.5	Very high	13 Å²	13	44.4 Å²	44.4	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	160.5	172.6	65.6	175.6	0	0	0	109.4	I653 C654 H656 Y667 E678 D680	I653-I665 WeakPolarHBondContact CA-O 3.19Å; C654-I665 HydrophobicContact CB-CG1 3.99Å; C654-I665 PolarHBondContact N-O 3.03Å; C654-I665 PolarHBondContact O-N 3.35Å; H656-I665 WeakPolarHBondContact NE2-CD1 3.29Å; I665-Y667 HydrophobicContact CD1-CE2 3.92Å; I665-Y667 WeakPolarHBondContact CD1-OH 3.21Å; I665-Y667 HydrophobicContact CG1-CE2 4.41Å; I665-E678 HydrophobicContact CD1-CG 4.48Å; I665-D680 HydrophobicContact CG2-CB 4.05Å
666	A	98.6	Very high	92.6	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.8	174.6	0	0	0	0	0	111.7	A169 Q172 V652 I653 F679	A169-A666 HydrophobicContact CB-CB 4.06Å; Q172-A666 HydrophobicContact CB-CB 4.3Å; V652-A666 CarbonylContact O-C 3.57Å; V652-A666 WeakPolarHBondContact O-CA 3.39Å; I653-A666 HydrophobicContact CG1-CB 4.48Å; A666-F679 PolarHBondContact N-O 2.77Å; A666-F679 VanDerWaalsContact N-O 3.17Å; A666-F679 WeakPolarHBondContact O-CB 3.42Å; A666-F679 PolarHBondContact O-N 2.94Å
667	Y	98.7	Very high	92.9	Very high	15 Å²	15	40.4 Å²	40.4	6%	0.059	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.6	163.3	-62.5	-73.2	0	0	0	108.4	S651 V652 I665 Y677 E678 V687 V692 A695	S651-Y667 CarbonylContact C-O 3.54Å; S651-Y667 WeakPolarHBondContact CA-O 3.34Å; S651-Y667 VanDerWaalsContact CB-O 3.23Å; S651-Y667 WeakPolarHBondContact CB-O 3.47Å; V652-Y667 PolarHBondContact N-O 2.82Å; V652-Y667 PolarHBondContact O-N 3.38Å; I665-Y667 HydrophobicContact CD1-CE2 3.92Å; I665-Y667 WeakPolarHBondContact CD1-OH 3.21Å; I665-Y667 HydrophobicContact CG1-CE2 4.41Å; Y667-Y677 CarbonylContact C-O 3.52Å; Y667-Y677 WeakPolarHBondContact CA-O 3.45Å; Y667-E678 HydrophobicContact CD1-CB 3.81Å; Y667-E678 HydrophobicContact CD1-CG 4.15Å; Y667-E678 HydrophobicContact CE1-CB 3.58Å; Y667-E678 HydrophobicContact CE1-CG 3.57Å; Y667-E678 WeakPolarHBondContact CE1-OE2 3.3Å; Y667-E678 VanDerWaalsContact CZ-OE2 3.3Å; Y667-E678 PolarHBondContact OH-OE2 3.42Å; Y667-V687 HydrophobicContact CD1-CG2 3.91Å; Y667-V687 HydrophobicContact CE1-CG2 4.23Å; Y667-V692 HydrophobicContact CD1-CG2 4.19Å; Y667-V692 HydrophobicContact CG-CG2 4.19Å; Y667-A695 HydrophobicContact CD2-CB 4.04Å; Y667-A695 HydrophobicContact CE2-CB 3.77Å
668	C	98.3	Very high	93.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.1	176.4	-49.7	0	0	0	0	111.5	N176 L650 S651 W676 Y677 F679	N176-C668 HydrophobicContact CB-CB 3.7Å; L650-C668 WeakPolarHBondContact O-CA 3.33Å; S651-C668 VanDerWaalsContact CB-SG 3.58Å; C668-W676 VanDerWaalsContact C-CE3 3.4Å; C668-Y677 PolarHBondContact N-O 3.07Å; C668-Y677 PolarHBondContact O-N 3.24Å; C668-F679 HydrophobicContact CB-CD2 4.22Å; C668-F679 HydrophobicContact CB-CE2 3.78Å
669	R	96.4	Very high	93.6	Very high	49 Å²	49	37.2 Å²	37.2	19%	0.185	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.9	173.5	-161.7	179.7	-171.2	179.9	4.7	109.4	E628 L650 S671 N674 L675 W676	E628-R669 IonicContact OE1-CZ 2.63Å; E628-R669 VanDerWaalsContact OE1-CZ 3.22Å; E628-R669 IonicContact OE1-NH1 3.68Å; E628-R669 PolarHBondContact OE1-NH1 2.83Å; E628-R669 IonicContact OE1-NH2 2.89Å; E628-R669 PolarHBondContact OE1-NH2 3.47Å; L650-R669 PolarHBondContact O-N 3.27Å; R669-S671 PolarHBondContact O-N 3.11Å; R669-N674 WeakPolarHBondContact CG-O 3.43Å; R669-N674 PolarHBondContact NE-O 2.93Å; R669-L675 CarbonylContact C-O 3.59Å; R669-L675 WeakPolarHBondContact CA-O 3.49Å; R669-W676 HydrophobicContact CB-CD2 3.88Å; R669-W676 HydrophobicContact CB-CE3 3.94Å; R669-W676 HydrophobicContact CB-CH2 3.84Å; R669-W676 HydrophobicContact CB-CZ2 3.81Å; R669-W676 HydrophobicContact CB-CZ3 3.93Å; R669-W676 HydrophobicContact CG-CD2 4.2Å; R669-W676 HydrophobicContact CG-CZ2 4.22Å
670	N	93.4	Very high	94.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.221	C	C	.	.			trans	-74.2	125.9	-179.5	-174.4	-80.9	0	0	0	110.5	R153 L155 V672 N673 N674 L675 Y677	R153-N670 PolarHBondContact O-ND2 2.88Å; L155-N670 HydrophobicContact CD2-CB 4.26Å; L155-N670 WeakPolarHBondContact CD2-ND2 3.43Å; N670-V672 PolarHBondContact O-N 2.91Å; N670-V672 WeakPolarHBondContact OD1-CB 3.44Å; N670-V672 PolarHBondContact OD1-N 2.67Å; N670-N673 WeakPolarHBondContact CB-OD1 3.37Å; N670-N673 PolarHBondContact OD1-N 3.33Å; N670-N674 WeakPolarHBondContact O-CA 3.39Å; N670-N674 PolarHBondContact O-N 3.2Å; N670-L675 PolarHBondContact N-O 3.04Å; N670-Y677 HydrophobicContact CB-CD2 3.93Å; N670-Y677 HydrophobicContact CB-CE2 3.81Å
671	S	88.7	Confident	94.9	Very high	58 Å²	58	34.8 Å²	34.8	41%	0.406	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-7.3	-173.9	55.7	0	0	0	0	115.3	R669	R669-S671 PolarHBondContact O-N 3.11Å
672	V	86.3	Confident	95.4	Very high	75 Å²	75	36.5 Å²	36.5	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-50.3	178.3	-172	0	0	0	0	110.9	N670	N670-V672 PolarHBondContact O-N 2.91Å; N670-V672 WeakPolarHBondContact OD1-CB 3.44Å; N670-V672 PolarHBondContact OD1-N 2.67Å
673	N	90.6	Very high	95.7	Very high	56 Å²	56	38.2 Å²	38.2	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-8.9	-178	72.7	6.6	0	0	0	114.5	N670 L675 Y677	N670-N673 WeakPolarHBondContact CB-OD1 3.37Å; N670-N673 PolarHBondContact OD1-N 3.33Å; N673-L675 HydrophobicContact CB-CG 4.47Å; N673-L675 PolarHBondContact O-N 2.77Å; N673-L675 WeakPolarHBondContact OD1-CB 3.4Å; N673-L675 PolarHBondContact OD1-N 3.43Å; N673-Y677 PolarHBondContact ND2-OH 2.89Å
674	N	91	Very high	95.7	Very high	96 Å²	96	37.5 Å²	37.5	51%	0.513	20%	0.201	S	C	.	.			trans	66.3	10.3	-178.9	-53	-87	0	0	0	115.8	R669 N670	R669-N674 WeakPolarHBondContact CG-O 3.43Å; R669-N674 PolarHBondContact NE-O 2.93Å; N670-N674 WeakPolarHBondContact O-CA 3.39Å; N670-N674 PolarHBondContact O-N 3.2Å
675	L	95.7	Very high	95.7	Very high	74 Å²	74	39.9 Å²	39.9	39%	0.387	22%	0.217	S	C	.	.			trans	-85.6	159.4	176.8	-57	179.4	0	0	0	111.8	R669 N670 N673 Y677	R669-L675 CarbonylContact C-O 3.59Å; R669-L675 WeakPolarHBondContact CA-O 3.49Å; N670-L675 PolarHBondContact N-O 3.04Å; N673-L675 HydrophobicContact CB-CG 4.47Å; N673-L675 PolarHBondContact O-N 2.77Å; N673-L675 WeakPolarHBondContact OD1-CB 3.4Å; N673-L675 PolarHBondContact OD1-N 3.43Å; L675-Y677 HydrophobicContact CB-CE2 3.84Å
676	W	98.1	Very high	95.6	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.9	178.5	-75.7	98.7	0	0	0	112.1	L627 L649 L650 C668 R669 V687 V692	L627-W676 HydrophobicContact CD2-CZ2 4.23Å; L649-W676 HydrophobicContact CB-CH2 4.27Å; L649-W676 HydrophobicContact CB-CZ2 4.41Å; L649-W676 HydrophobicContact CD2-CH2 3.83Å; L649-W676 HydrophobicContact CD2-CZ2 4.19Å; L649-W676 HydrophobicContact CG-CH2 3.86Å; L649-W676 HydrophobicContact CG-CZ2 4.41Å; L650-W676 WeakPolarHBondContact O-CZ3 3.47Å; C668-W676 VanDerWaalsContact C-CE3 3.4Å; R669-W676 HydrophobicContact CB-CD2 3.88Å; R669-W676 HydrophobicContact CB-CE3 3.94Å; R669-W676 HydrophobicContact CB-CH2 3.84Å; R669-W676 HydrophobicContact CB-CZ2 3.81Å; R669-W676 HydrophobicContact CB-CZ3 3.93Å; R669-W676 HydrophobicContact CG-CD2 4.2Å; R669-W676 HydrophobicContact CG-CZ2 4.22Å; W676-V687 HydrophobicContact CB-CG2 3.93Å; W676-V687 WeakPolarHBondContact CB-O 3.39Å; W676-V687 PolarHBondContact O-N 2.93Å; W676-V692 HydrophobicContact CB-CG2 4.02Å; W676-V692 HydrophobicContact CD2-CB 4.47Å; W676-V692 HydrophobicContact CD2-CG1 4.37Å; W676-V692 HydrophobicContact CD2-CG2 3.79Å; W676-V692 HydrophobicContact CE3-CG1 4.1Å; W676-V692 HydrophobicContact CE3-CG2 3.83Å; W676-V692 HydrophobicContact CG-CG2 3.87Å; W676-V692 HydrophobicContact CH2-CG1 4.24Å; W676-V692 HydrophobicContact CZ2-CG1 4.47Å; W676-V692 HydrophobicContact CZ3-CG1 4.03Å
677	Y	97.9	Very high	95.6	Very high	16 Å²	16	46.2 Å²	46.2	6%	0.063	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.2	176.6	-63.6	-87.3	0	0	0	110.8	L155 Y667 C668 N670 N673 L675 F679 V684 T685 E686	L155-Y677 HydrophobicContact CD1-CD1 4.22Å; L155-Y677 HydrophobicContact CD1-CD2 4.31Å; L155-Y677 HydrophobicContact CD1-CE1 3.81Å; L155-Y677 HydrophobicContact CD1-CE2 3.89Å; L155-Y677 HydrophobicContact CD1-CG 4.48Å; L155-Y677 HydrophobicContact CD2-CD1 4.07Å; L155-Y677 HydrophobicContact CD2-CD2 3.45Å; L155-Y677 VanDerWaalsContact CD2-CD2 3.45Å; L155-Y677 HydrophobicContact CD2-CE1 4.42Å; L155-Y677 HydrophobicContact CD2-CE2 3.83Å; L155-Y677 HydrophobicContact CD2-CG 3.6Å; Y667-Y677 CarbonylContact C-O 3.52Å; Y667-Y677 WeakPolarHBondContact CA-O 3.45Å; C668-Y677 PolarHBondContact N-O 3.07Å; C668-Y677 PolarHBondContact O-N 3.24Å; N670-Y677 HydrophobicContact CB-CD2 3.93Å; N670-Y677 HydrophobicContact CB-CE2 3.81Å; N673-Y677 PolarHBondContact ND2-OH 2.89Å; L675-Y677 HydrophobicContact CB-CE2 3.84Å; Y677-F679 WeakPolarHBondContact O-CD2 3.44Å; Y677-V684 HydrophobicContact CD1-CG1 4.34Å; Y677-T685 CarbonylContact C-O 3.57Å; Y677-T685 VanDerWaalsContact CA-O 3.27Å; Y677-T685 WeakPolarHBondContact CA-O 3.33Å; Y677-E686 HydrophobicContact CD1-CB 3.93Å; Y677-E686 HydrophobicContact CD1-CG 4.24Å; Y677-E686 HydrophobicContact CE1-CB 3.56Å; Y677-E686 HydrophobicContact CE1-CG 3.65Å; Y677-E686 WeakPolarHBondContact CE1-OE2 3.25Å; Y677-E686 PolarHBondContact OH-OE2 3.26Å
678	E	98.4	Very high	95.5	Very high	49 Å²	49	49.2 Å²	49.2	23%	0.229	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.7	167.2	-178.4	176.8	70.7	0	0	109.3	I665 Y667 V684 T685 V687	I665-E678 HydrophobicContact CD1-CG 4.48Å; Y667-E678 HydrophobicContact CD1-CB 3.81Å; Y667-E678 HydrophobicContact CD1-CG 4.15Å; Y667-E678 HydrophobicContact CE1-CB 3.58Å; Y667-E678 HydrophobicContact CE1-CG 3.57Å; Y667-E678 WeakPolarHBondContact CE1-OE2 3.3Å; Y667-E678 VanDerWaalsContact CZ-OE2 3.3Å; Y667-E678 PolarHBondContact OH-OE2 3.42Å; E678-V684 WeakPolarHBondContact O-CA 3.48Å; E678-T685 PolarHBondContact N-O 3.41Å; E678-T685 PolarHBondContact O-N 2.61Å; E678-T685 PolarHBondContact OE1-OG1 2.83Å; E678-T685 VanDerWaalsContact OE1-OG1 3.13Å; E678-V687 HydrophobicContact CB-CG1 3.81Å
679	F	98.3	Very high	95.4	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	100.1	175.9	-66	-101.4	0	0	0	108.4	L155 Q172 A666 C668 Y677 V684	L155-F679 HydrophobicContact CD2-CZ 4.07Å; Q172-F679 HydrophobicContact CB-CB 4.32Å; Q172-F679 HydrophobicContact CB-CD1 4.44Å; Q172-F679 HydrophobicContact CB-CG 4.29Å; Q172-F679 VanDerWaalsContact CD-CD1 3.42Å; Q172-F679 HydrophobicContact CG-CB 3.99Å; Q172-F679 HydrophobicContact CG-CD1 3.92Å; Q172-F679 HydrophobicContact CG-CG 4.09Å; Q172-F679 VanDerWaalsContact NE2-CD1 3.28Å; A666-F679 PolarHBondContact N-O 2.77Å; A666-F679 VanDerWaalsContact N-O 3.17Å; A666-F679 WeakPolarHBondContact O-CB 3.42Å; A666-F679 PolarHBondContact O-N 2.94Å; C668-F679 HydrophobicContact CB-CD2 4.22Å; C668-F679 HydrophobicContact CB-CE2 3.78Å; Y677-F679 WeakPolarHBondContact O-CD2 3.44Å; F679-V684 HydrophobicContact CD1-CB 4.41Å; F679-V684 HydrophobicContact CD1-CG1 4.01Å; F679-V684 HydrophobicContact CD1-CG2 3.62Å; F679-V684 HydrophobicContact CE1-CB 4.47Å; F679-V684 HydrophobicContact CE1-CG1 3.75Å; F679-V684 HydrophobicContact CE1-CG2 3.81Å; F679-V684 HydrophobicContact CE2-CG1 4.43Å; F679-V684 HydrophobicContact CG-CG1 4.5Å; F679-V684 HydrophobicContact CZ-CG1 3.98Å
680	D	97.8	Very high	95.4	Very high	57 Å²	57	53.8 Å²	53.8	31%	0.305	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	87.5	175.7	177.4	29.1	0	0	0	109.3	H663 I665 Q682 S683	H663-D680 IonicContact CD2-OD1 2.96Å; H663-D680 IonicContact CE1-OD1 3.77Å; H663-D680 IonicContact NE2-OD1 2.68Å; H663-D680 PolarHBondContact NE2-OD1 3.29Å; I665-D680 HydrophobicContact CG2-CB 4.05Å; D680-Q682 PolarHBondContact O-N 2.7Å; D680-S683 PolarHBondContact N-O 2.99Å; D680-S683 WeakPolarHBondContact O-CB 3.44Å; D680-S683 PolarHBondContact O-N 2.68Å; D680-S683 PolarHBondContact O-OG 3.13Å
681	D	96.6	Very high	95.5	Very high	16 Å²	16	55.9 Å²	55.9	9%	0.086	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	-106.5	-169.7	-73.3	-48.6	0	0	0	112.3	G157 L158 N160 C165 N168 H663 S683	G157-D681 CarbonylContact C-O 3.58Å; G157-D681 VanDerWaalsContact CA-O 3.29Å; G157-D681 WeakPolarHBondContact CA-O 3.16Å; L158-D681 PolarHBondContact N-O 2.7Å; L158-D681 CarbonylContact O-C 3.58Å; L158-D681 VanDerWaalsContact O-CA 3.26Å; L158-D681 WeakPolarHBondContact O-CA 3.45Å; L158-D681 WeakPolarHBondContact O-CB 3.3Å; N160-D681 HydrophobicContact CB-CB 4.09Å; N160-D681 WeakPolarHBondContact CB-OD2 3.32Å; N160-D681 PolarHBondContact ND2-OD2 2.82Å; C165-D681 WeakPolarHBondContact CA-OD1 3.39Å; N168-D681 WeakPolarHBondContact CB-OD1 3.45Å; N168-D681 PolarHBondContact ND2-OD1 3.08Å; H663-D681 IonicContact CE1-OD2 2.95Å; H663-D681 PolarHBondContact CE1-OD2 2.88Å; D681-S683 VanDerWaalsContact C-N 3.32Å
682	Q	95.9	Very high	95.9	Very high	98 Å²	98	53.1 Å²	53.1	46%	0.458	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.2	-177.6	67.2	-176.1	15.5	0	0	113.8	L158 Y218 D680	L158-Q682 PolarHBondContact O-N 3.18Å; Y218-Q682 HydrophobicContact CG-CB 4.27Å; D680-Q682 PolarHBondContact O-N 2.7Å
683	S	96.6	Very high	96.2	Very high	53 Å²	53	53.7 Å²	53.7	37%	0.371	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.8	-178.4	-50.5	0	0	0	0	110.1	D680 D681	D680-S683 PolarHBondContact N-O 2.99Å; D680-S683 WeakPolarHBondContact O-CB 3.44Å; D680-S683 PolarHBondContact O-N 2.68Å; D680-S683 PolarHBondContact O-OG 3.13Å; D681-S683 VanDerWaalsContact C-N 3.32Å
684	V	97	Very high	96.3	Very high	45 Å²	45	56.5 Å²	56.5	27%	0.273	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.3	171.4	-171.8	0	0	0	0	108.5	L155 Y677 E678 F679	L155-V684 HydrophobicContact CB-CG1 4.41Å; Y677-V684 HydrophobicContact CD1-CG1 4.34Å; E678-V684 WeakPolarHBondContact O-CA 3.48Å; F679-V684 HydrophobicContact CD1-CB 4.41Å; F679-V684 HydrophobicContact CD1-CG1 4.01Å; F679-V684 HydrophobicContact CD1-CG2 3.62Å; F679-V684 HydrophobicContact CE1-CB 4.47Å; F679-V684 HydrophobicContact CE1-CG1 3.75Å; F679-V684 HydrophobicContact CE1-CG2 3.81Å; F679-V684 HydrophobicContact CE2-CG1 4.43Å; F679-V684 HydrophobicContact CG-CG1 4.5Å; F679-V684 HydrophobicContact CZ-CG1 3.98Å
685	T	96.7	Very high	96.4	Very high	63 Å²	63	52.5 Å²	52.5	39%	0.387	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.4	-170.4	23.1	0	0	0	0	110.2	Y677 E678	Y677-T685 CarbonylContact C-O 3.57Å; Y677-T685 VanDerWaalsContact CA-O 3.27Å; Y677-T685 WeakPolarHBondContact CA-O 3.33Å; E678-T685 PolarHBondContact N-O 3.41Å; E678-T685 PolarHBondContact O-N 2.61Å; E678-T685 PolarHBondContact OE1-OG1 2.83Å; E678-T685 VanDerWaalsContact OE1-OG1 3.13Å
686	E	97.1	Very high	96.3	Very high	126 Å²	126	51.2 Å²	51.2	59%	0.589	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.5	174.5	-164.9	169.3	112.4	0	0	110.3	Y677	Y677-E686 HydrophobicContact CD1-CB 3.93Å; Y677-E686 HydrophobicContact CD1-CG 4.24Å; Y677-E686 HydrophobicContact CE1-CB 3.56Å; Y677-E686 HydrophobicContact CE1-CG 3.65Å; Y677-E686 WeakPolarHBondContact CE1-OE2 3.25Å; Y677-E686 PolarHBondContact OH-OE2 3.26Å
687	V	97.7	Very high	96.3	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.115	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.9	-178.6	-61.2	0	0	0	0	111.2	Y667 W676 E678 C691 V692	Y667-V687 HydrophobicContact CD1-CG2 3.91Å; Y667-V687 HydrophobicContact CE1-CG2 4.23Å; W676-V687 HydrophobicContact CB-CG2 3.93Å; W676-V687 WeakPolarHBondContact CB-O 3.39Å; W676-V687 PolarHBondContact O-N 2.93Å; E678-V687 HydrophobicContact CB-CG1 3.81Å; V687-C691 HydrophobicContact CB-CB 4.09Å; V687-C691 HydrophobicContact CG2-CB 4.5Å; V687-V692 HydrophobicContact CG2-CG2 4.07Å
688	P	97.5	Very high	96.3	Very high	79 Å²	79	50.5 Å²	50.5	51%	0.513	28%	0.28	S	S	.	.			trans	-76.2	155.1	175.1	32	-35.4	0	0	0	111.6	S690 C691	P688-S690 PolarHBondContact O-N 2.91Å; P688-C691 HydrophobicContact CG-CB 4.26Å; P688-C691 VanDerWaalsContact O-CB 3.23Å; P688-C691 WeakPolarHBondContact O-CB 3.46Å; P688-C691 PolarHBondContact O-N 2.63Å
689	D	96.3	Very high	96.3	Very high	75 Å²	75	48.1 Å²	48.1	40%	0.401	27%	0.269	S	S	.	.	H	α-helix	trans	-44.3	-37.9	172.9	-68.9	42.3	0	0	0	113.9	L627 C691 V692 Q693	L627-D689 HydrophobicContact CD1-CB 3.67Å; L627-D689 WeakPolarHBondContact CD1-OD2 3.31Å; D689-C691 VanDerWaalsContact C-N 3.29Å; D689-C691 PolarHBondContact O-N 3.17Å; D689-V692 PolarHBondContact O-N 2.84Å; D689-Q693 WeakPolarHBondContact O-CG 3.23Å; D689-Q693 PolarHBondContact O-N 3.19Å
690	S	95.3	Very high	96.3	Very high	70 Å²	70	48 Å²	48	49%	0.49	27%	0.268	S	S	.	.	H	α-helix	trans	-69.2	-21.7	179.4	57.2	0	0	0	0	114.1	P688 N694	P688-S690 PolarHBondContact O-N 2.91Å; S690-N694 PolarHBondContact O-ND2 2.83Å
691	C	96.5	Very high	96.3	Very high	44 Å²	44	45.3 Å²	45.3	30%	0.297	25%	0.254	S	S	.	.	H	α-helix	trans	-69	-50.7	168.8	179.6	0	0	0	0	109.6	V687 P688 D689 Q693 N694 A695	V687-C691 HydrophobicContact CB-CB 4.09Å; V687-C691 HydrophobicContact CG2-CB 4.5Å; P688-C691 HydrophobicContact CG-CB 4.26Å; P688-C691 VanDerWaalsContact O-CB 3.23Å; P688-C691 WeakPolarHBondContact O-CB 3.46Å; P688-C691 PolarHBondContact O-N 2.63Å; D689-C691 VanDerWaalsContact C-N 3.29Å; D689-C691 PolarHBondContact O-N 3.17Å; C691-Q693 PolarHBondContact O-N 2.9Å; C691-N694 PolarHBondContact O-N 3.08Å; C691-A695 PolarHBondContact O-N 2.83Å
692	V	96.6	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-42.7	-178.3	-171.9	0	0	0	0	111.5	F625 L627 L649 V652 Y667 W676 V687 D689 N694 A695	F625-V692 WeakPolarHBondContact CZ-O 3.42Å; L627-V692 HydrophobicContact CD2-CB 4.44Å; L627-V692 HydrophobicContact CD2-CG1 4.08Å; L649-V692 HydrophobicContact CD2-CG1 4.46Å; V652-V692 HydrophobicContact CG2-CG1 4.2Å; Y667-V692 HydrophobicContact CD1-CG2 4.19Å; Y667-V692 HydrophobicContact CG-CG2 4.19Å; W676-V692 HydrophobicContact CB-CG2 4.02Å; W676-V692 HydrophobicContact CD2-CB 4.47Å; W676-V692 HydrophobicContact CD2-CG1 4.37Å; W676-V692 HydrophobicContact CD2-CG2 3.79Å; W676-V692 HydrophobicContact CE3-CG1 4.1Å; W676-V692 HydrophobicContact CE3-CG2 3.83Å; W676-V692 HydrophobicContact CG-CG2 3.87Å; W676-V692 HydrophobicContact CH2-CG1 4.24Å; W676-V692 HydrophobicContact CZ2-CG1 4.47Å; W676-V692 HydrophobicContact CZ3-CG1 4.03Å; V687-V692 HydrophobicContact CG2-CG2 4.07Å; D689-V692 PolarHBondContact O-N 2.84Å; V692-N694 PolarHBondContact O-N 3.36Å; V692-A695 VanDerWaalsContact O-CB 3.3Å; V692-A695 WeakPolarHBondContact O-CB 3.46Å; V692-A695 PolarHBondContact O-N 3.02Å; V692-A695 VanDerWaalsContact O-N 3.14Å
693	Q	93.7	Very high	96.5	Very high	87 Å²	87	41.8 Å²	41.8	41%	0.407	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.3	178.7	-73.6	172.5	11.7	0	0	115.1	L627 D689 C691	L627-Q693 HydrophobicContact CD1-CG 3.85Å; L627-Q693 HydrophobicContact CD2-CG 3.92Å; L627-Q693 HydrophobicContact CG-CG 3.75Å; D689-Q693 WeakPolarHBondContact O-CG 3.23Å; D689-Q693 PolarHBondContact O-N 3.19Å; C691-Q693 PolarHBondContact O-N 2.9Å
694	N	91.9	Very high	96.5	Very high	115 Å²	115	40 Å²	40	62%	0.615	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	5.5	179.3	-71	-79	0	0	0	112.8	S690 C691 V692	S690-N694 PolarHBondContact O-ND2 2.83Å; C691-N694 PolarHBondContact O-N 3.08Å; V692-N694 PolarHBondContact O-N 3.36Å
695	A	93.4	Very high	96.3	Very high	12 Å²	12	39.9 Å²	39.9	10%	0.099	22%	0.223	C	C	.	.	S	Bend	trans	-74.5	147.4	-176	0	0	0	0	0	112.1	Y667 C691 V692 A697	Y667-A695 HydrophobicContact CD2-CB 4.04Å; Y667-A695 HydrophobicContact CE2-CB 3.77Å; C691-A695 PolarHBondContact O-N 2.83Å; V692-A695 VanDerWaalsContact O-CB 3.3Å; V692-A695 WeakPolarHBondContact O-CB 3.46Å; V692-A695 PolarHBondContact O-N 3.02Å; V692-A695 VanDerWaalsContact O-N 3.14Å; A695-A697 PolarHBondContact O-N 2.86Å
696	E	93.4	Very high	96.1	Very high	47 Å²	47	38.2 Å²	38.2	22%	0.22	21%	0.213	C	C	.	.			trans	-78.1	65.5	177.7	-158.5	-164.2	156.7	0	0	111.6	R608 K618 Y698	R608-E696 IonicContact CZ-OE1 3.94Å; R608-E696 IonicContact NE-OE1 2.71Å; R608-E696 IonicContact NH1-OE1 3.05Å; R608-E696 PolarHBondContact NH1-OE1 2.89Å; K618-E696 WeakPolarHBondContact CE-OE1 3.09Å; K618-E696 IonicContact NZ-OE1 3.91Å; K618-E696 PolarHBondContact NZ-OE1 2.76Å; K618-E696 IonicContact NZ-OE2 3.72Å; K618-E696 PolarHBondContact NZ-OE2 2.8Å; E696-Y698 PolarHBondContact O-N 2.87Å
697	A	96.9	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	128.6	-175	0	0	0	0	0	112.4	R608 F625 V652 A695 L700	R608-A697 VanDerWaalsContact CZ-O 3.25Å; R608-A697 PolarHBondContact NE-O 2.93Å; R608-A697 PolarHBondContact NH2-O 2.74Å; F625-A697 HydrophobicContact CD1-CB 4.02Å; F625-A697 HydrophobicContact CE1-CB 3.46Å; F625-A697 VanDerWaalsContact CE1-CB 3.46Å; F625-A697 HydrophobicContact CZ-CB 3.97Å; V652-A697 HydrophobicContact CG1-CB 3.42Å; V652-A697 VanDerWaalsContact CG1-CB 3.42Å; A695-A697 PolarHBondContact O-N 2.86Å; A697-L700 HydrophobicContact CB-CD1 4.05Å; A697-L700 HydrophobicContact CB-CD2 4.06Å; A697-L700 HydrophobicContact CB-CG 4.06Å
698	Y	98	Very high	95.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-47.9	178.6	174.4	-115.3	0	0	0	111.4	D242 Q244 H605 L606 R608 F609 I653 Y664 E696	D242-Y698 PolarHBondContact OD1-OH 3.4Å; D242-Y698 PolarHBondContact OD2-OH 2.93Å; D242-Y698 VanDerWaalsContact OD2-OH 3.08Å; Q244-Y698 HydrophobicContact CB-CE1 4.19Å; Q244-Y698 WeakPolarHBondContact CB-OH 3.43Å; H605-Y698 AromaticContact CD2-CE2 3.39Å; H605-Y698 WeakPolarHBondContact CD2-CE2 3.43Å; H605-Y698 AromaticContact CD2-CZ 3.57Å; H605-Y698 PolarHBondContact CD2-OH 2.83Å; H605-Y698 AromaticContact NE2-CE2 3.29Å; H605-Y698 VanDerWaalsContact NE2-CE2 3.29Å; H605-Y698 WeakPolarHBondContact NE2-CE2 3.14Å; H605-Y698 AromaticContact NE2-CZ 3.49Å; H605-Y698 PolarHBondContact NE2-OH 2.79Å; L606-Y698 PolarHBondContact N-O 2.84Å; R608-Y698 HydrophobicContact CB-CD2 4.27Å; R608-Y698 HydrophobicContact CG-CD2 4.34Å; F609-Y698 HydrophobicContact CD2-CE2 4.11Å; F609-Y698 HydrophobicContact CE2-CD2 4.31Å; F609-Y698 AromaticContact CE2-CE2 3.75Å; F609-Y698 HydrophobicContact CE2-CE2 3.75Å; I653-Y698 WeakPolarHBondContact O-CA 3.46Å; I653-Y698 WeakPolarHBondContact O-CB 3.44Å; I653-Y698 PolarHBondContact O-N 2.88Å; Y664-Y698 AromaticContact CE1-CD1 3.72Å; Y664-Y698 HydrophobicContact CE1-CD1 3.72Å; Y664-Y698 AromaticContact CE1-CE1 4Å; Y664-Y698 HydrophobicContact CE1-CE1 4Å; E696-Y698 PolarHBondContact O-N 2.87Å
699	V	98.6	Very high	95.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.8	168.2	-176.8	0	0	0	0	109.1	Q244 L247 C603 I604 H605 V652 I653 F701	Q244-V699 HydrophobicContact CB-CG2 4.1Å; Q244-V699 HydrophobicContact CG-CG2 4.49Å; L247-V699 HydrophobicContact CD1-CG1 4.15Å; C603-V699 VanDerWaalsContact SG-CG1 3.53Å; I604-V699 CarbonylContact O-C 3.59Å; I604-V699 VanDerWaalsContact O-CA 3.26Å; I604-V699 WeakPolarHBondContact O-CA 3.23Å; H605-V699 HydrophobicContact CB-CG2 4.34Å; V652-V699 CarbonylContact C-O 3.56Å; V652-V699 WeakPolarHBondContact CA-O 3.42Å; I653-V699 HydrophobicContact CB-CB 4.19Å; I653-V699 HydrophobicContact CD1-CB 4.28Å; I653-V699 PolarHBondContact N-O 3.17Å; I653-V699 PolarHBondContact O-N 2.96Å; V699-F701 HydrophobicContact CG1-CD2 4.28Å; V699-F701 HydrophobicContact CG1-CE2 3.74Å; V699-F701 HydrophobicContact CG1-CZ 4.32Å
700	L	98.7	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.5	178.6	-54.8	95.2	0	0	0	109.9	I604 L606 F625 L649 V652 A697 Y702	I604-L700 HydrophobicContact CG2-CD1 4.49Å; I604-L700 PolarHBondContact N-O 2.82Å; I604-L700 PolarHBondContact O-N 2.89Å; L606-L700 HydrophobicContact CD1-CD1 4.02Å; L606-L700 HydrophobicContact CG-CD1 4.04Å; F625-L700 HydrophobicContact CB-CD2 3.92Å; F625-L700 HydrophobicContact CD1-CD2 3.89Å; F625-L700 HydrophobicContact CD2-CD2 3.63Å; F625-L700 HydrophobicContact CE1-CD2 4.34Å; F625-L700 HydrophobicContact CE2-CD2 4.09Å; F625-L700 HydrophobicContact CG-CD2 3.52Å; F625-L700 HydrophobicContact CZ-CD2 4.41Å; L649-L700 HydrophobicContact CD1-CB 3.99Å; L649-L700 HydrophobicContact CD1-CD2 4.09Å; V652-L700 HydrophobicContact CG1-CG 4.49Å; V652-L700 HydrophobicContact CG2-CD2 4.27Å; V652-L700 HydrophobicContact CG2-CG 4.45Å; A697-L700 HydrophobicContact CB-CD1 4.05Å; A697-L700 HydrophobicContact CB-CD2 4.06Å; A697-L700 HydrophobicContact CB-CG 4.06Å; L700-Y702 HydrophobicContact CB-CD2 4.1Å; L700-Y702 HydrophobicContact CB-CE2 3.88Å; L700-Y702 HydrophobicContact CD2-CE2 4.01Å
701	F	98.7	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.1	173.3	-68.9	-101.3	0	0	0	109.4	A173 L174 L247 F459 I601 C603 L650 S651 I653 V699	A173-F701 HydrophobicContact CB-CD2 3.85Å; A173-F701 HydrophobicContact CB-CE2 3.57Å; A173-F701 HydrophobicContact CB-CZ 4.21Å; L174-F701 HydrophobicContact CD2-CE1 3.97Å; L174-F701 HydrophobicContact CD2-CZ 4.34Å; L247-F701 HydrophobicContact CD1-CE2 4.11Å; L247-F701 HydrophobicContact CD1-CZ 3.75Å; L247-F701 HydrophobicContact CD2-CZ 3.93Å; F459-F701 HydrophobicContact CE1-CD1 4.2Å; F459-F701 HydrophobicContact CE1-CE1 4.1Å; I601-F701 HydrophobicContact CG2-CB 4.37Å; I601-F701 HydrophobicContact CG2-CD1 4Å; C603-F701 HydrophobicContact CB-CD1 4.45Å; C603-F701 HydrophobicContact CB-CE1 4.3Å; L650-F701 PolarHBondContact N-O 3.36Å; S651-F701 PolarHBondContact N-O 2.98Å; S651-F701 PolarHBondContact O-N 3.45Å; S651-F701 WeakPolarHBondContact OG-CB 3.42Å; S651-F701 WeakPolarHBondContact OG-CD2 3.27Å; I653-F701 HydrophobicContact CD1-CE2 4.14Å; V699-F701 HydrophobicContact CG1-CD2 4.28Å; V699-F701 HydrophobicContact CG1-CE2 3.74Å; V699-F701 HydrophobicContact CG1-CZ 4.32Å
702	Y	98.5	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.6	-178.3	-88.5	-78.1	0	0	0	109.9	L559 I601 L602 I604 P626 L630 D648 L649 L700	L559-Y702 HydrophobicContact CD2-CE2 3.56Å; I601-Y702 CarbonylContact C-O 3.52Å; I601-Y702 VanDerWaalsContact CA-O 3.28Å; I601-Y702 WeakPolarHBondContact CA-O 3.29Å; L602-Y702 PolarHBondContact N-O 3.06Å; L602-Y702 PolarHBondContact O-N 3.19Å; I604-Y702 HydrophobicContact CD1-CD2 4.1Å; I604-Y702 HydrophobicContact CD1-CE2 4.33Å; P626-Y702 WeakPolarHBondContact O-CE1 3.35Å; P626-Y702 PolarHBondContact O-OH 3.28Å; L630-Y702 HydrophobicContact CB-CD1 4.14Å; L630-Y702 HydrophobicContact CB-CE1 3.85Å; L630-Y702 HydrophobicContact CD2-CD1 3.84Å; L630-Y702 HydrophobicContact CD2-CD2 3.79Å; L630-Y702 HydrophobicContact CD2-CE1 3.79Å; L630-Y702 HydrophobicContact CD2-CE2 3.72Å; L630-Y702 HydrophobicContact CD2-CG 3.84Å; L630-Y702 HydrophobicContact CG-CE1 4.47Å; D648-Y702 CarbonylContact O-C 3.54Å; D648-Y702 WeakPolarHBondContact O-CA 3.43Å; L649-Y702 HydrophobicContact CB-CD1 4.13Å; L649-Y702 HydrophobicContact CB-CE1 3.72Å; L649-Y702 HydrophobicContact CD1-CD1 4.16Å; L649-Y702 HydrophobicContact CD1-CD2 3.89Å; L649-Y702 HydrophobicContact CD1-CE1 3.83Å; L649-Y702 HydrophobicContact CD1-CE2 3.55Å; L649-Y702 HydrophobicContact CD1-CG 4.19Å; L649-Y702 HydrophobicContact CG-CE1 4.34Å; L700-Y702 HydrophobicContact CB-CD2 4.1Å; L700-Y702 HydrophobicContact CB-CE2 3.88Å; L700-Y702 HydrophobicContact CD2-CE2 4.01Å
703	K	97.3	Very high	94.8	Very high	40 Å²	40	41 Å²	41	17%	0.174	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.1	177.2	178.5	-178.3	175.6	-168.3	0	111.9	E600 I601 Y647 D648 L650 S705 T742	E600-K703 WeakPolarHBondContact O-CA 3.44Å; E600-K703 VanDerWaalsContact OE1-CE 3.31Å; E600-K703 WeakPolarHBondContact OE1-CE 3.15Å; I601-K703 HydrophobicContact CD1-CB 3.58Å; I601-K703 HydrophobicContact CD1-CD 4.23Å; I601-K703 HydrophobicContact CD1-CG 3.65Å; Y647-K703 CarbonylContact C-O 3.49Å; Y647-K703 WeakPolarHBondContact CA-O 3.25Å; D648-K703 PolarHBondContact N-O 3.1Å; D648-K703 PolarHBondContact O-N 3.12Å; L650-K703 HydrophobicContact CD1-CB 3.84Å; L650-K703 HydrophobicContact CD1-CD 4.49Å; L650-K703 HydrophobicContact CD2-CB 3.99Å; L650-K703 HydrophobicContact CD2-CD 4.34Å; L650-K703 HydrophobicContact CG-CB 3.76Å; K703-S705 PolarHBondContact O-N 2.92Å; K703-T742 WeakPolarHBondContact CE-O 3.32Å; K703-T742 PolarHBondContact NZ-O 3.42Å
704	K	96	Very high	94.8	Very high	17 Å²	17	45.5 Å²	45.5	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	127.6	170	-76.5	-175.1	178	166.8	0	111.6	L598 P599 E600 T644 Y647 A744 E745	L598-K704 VanDerWaalsContact O-CE 3.27Å; L598-K704 WeakPolarHBondContact O-CE 3.4Å; L598-K704 PolarHBondContact O-NZ 2.81Å; P599-K704 VanDerWaalsContact O-CE 3.27Å; P599-K704 WeakPolarHBondContact O-CE 3.29Å; E600-K704 PolarHBondContact O-N 2.85Å; T644-K704 HydrophobicContact CG2-CB 4.24Å; Y647-K704 HydrophobicContact CD1-CG 4.36Å; Y647-K704 VanDerWaalsContact CD1-N 3.34Å; Y647-K704 HydrophobicContact CE1-CB 4.34Å; Y647-K704 HydrophobicContact CE1-CG 3.6Å; Y647-K704 HydrophobicContact CE2-CG 4.04Å; Y647-K704 VanDerWaalsContact CZ-CG 3.41Å; Y647-K704 WeakPolarHBondContact OH-CE 3.35Å; Y647-K704 WeakPolarHBondContact OH-CG 3.18Å; K704-A744 HydrophobicContact CB-CB 3.53Å; K704-A744 HydrophobicContact CD-CB 4.12Å; K704-A744 HydrophobicContact CG-CB 4.48Å; K704-E745 IonicContact NZ-OE2 3.17Å; K704-E745 PolarHBondContact NZ-OE2 2.87Å
705	S	93.6	Very high	94.8	Very high	42 Å²	42	47.4 Å²	47.4	29%	0.294	22%	0.22	S	C	.	.			trans	-110.7	120.1	179.5	-163.5	0	0	0	0	111.1	T644 S646 D648 K703	T644-S705 WeakPolarHBondContact CG2-O 3.22Å; S646-S705 PolarHBondContact O-N 2.84Å; D648-S705 WeakPolarHBondContact OD2-CB 3.2Å; D648-S705 PolarHBondContact OD2-OG 3.38Å; K703-S705 PolarHBondContact O-N 2.92Å
706	S	93.4	Very high	94.7	Very high	27 Å²	27	47.1 Å²	47.1	19%	0.189	22%	0.217	C	C	.	.			trans	-137.4	111.7	179.7	173.7	0	0	0	0	109.8	D708 A709 V710	S706-D708 PolarHBondContact O-N 3.46Å; S706-A709 PolarHBondContact O-N 2.63Å; S706-A709 PolarHBondContact OG-N 3Å; S706-V710 PolarHBondContact O-N 3.29Å
707	E	91.3	Very high	94.5	Very high	141 Å²	141	49.4 Å²	49.4	66%	0.659	24%	0.235	S	C	*	.	H	α-helix	trans	-56.7	-37.8	174.1	-68.4	-166.9	175.7	0	0	111.6	V710 K711	E707-V710 CarbonylContact O-C 3.53Å; E707-V710 WeakPolarHBondContact O-CB 3.45Å; E707-V710 PolarHBondContact O-N 3.49Å; E707-V710 VanDerWaalsContact O-N 3.13Å; E707-K711 VanDerWaalsContact O-CG 3.27Å; E707-K711 WeakPolarHBondContact O-CG 3.19Å; E707-K711 PolarHBondContact O-N 3.39Å; E707-K711 VanDerWaalsContact OE2-CE 3.29Å; E707-K711 WeakPolarHBondContact OE2-CE 3.31Å; E707-K711 IonicContact OE2-NZ 3.24Å; E707-K711 PolarHBondContact OE2-NZ 3Å
708	D	92.4	Very high	94.1	Very high	94 Å²	94	51 Å²	51	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-71	-36.5	-174.4	-76	4.1	0	0	0	111.5	S706 V710 K711 E712	S706-D708 PolarHBondContact O-N 3.46Å; D708-V710 VanDerWaalsContact C-N 3.29Å; D708-V710 PolarHBondContact O-N 2.65Å; D708-K711 PolarHBondContact O-N 2.9Å; D708-K711 WeakPolarHBondContact OD1-CD 3.21Å; D708-K711 IonicContact OD1-NZ 3.22Å; D708-K711 PolarHBondContact OD1-NZ 2.89Å; D708-E712 VanDerWaalsContact O-CB 3.28Å; D708-E712 WeakPolarHBondContact O-CB 3.44Å; D708-E712 PolarHBondContact O-N 2.87Å
709	A	91.8	Very high	93.6	Very high	6 Å²	6	52.5 Å²	52.5	5%	0.05	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-34	169.7	0	0	0	0	0	112.2	S706 R713	S706-A709 PolarHBondContact O-N 2.63Å; S706-A709 PolarHBondContact OG-N 3Å; A709-R713 WeakPolarHBondContact O-CB 3.4Å; A709-R713 WeakPolarHBondContact O-CG 3.19Å; A709-R713 PolarHBondContact O-N 3.37Å; A709-R713 PolarHBondContact O-NE 3.2Å
710	V	91.7	Very high	92.9	Very high	59 Å²	59	56.7 Å²	56.7	36%	0.358	28%	0.281	S	S	.	.	H	α-helix	trans	-71.5	-41.6	174.3	175.1	0	0	0	0	112	S706 E707 D708 E712 R714	S706-V710 PolarHBondContact O-N 3.29Å; E707-V710 CarbonylContact O-C 3.53Å; E707-V710 WeakPolarHBondContact O-CB 3.45Å; E707-V710 PolarHBondContact O-N 3.49Å; E707-V710 VanDerWaalsContact O-N 3.13Å; D708-V710 VanDerWaalsContact C-N 3.29Å; D708-V710 PolarHBondContact O-N 2.65Å; V710-E712 VanDerWaalsContact C-N 3.35Å; V710-R714 WeakPolarHBondContact O-CG 3.06Å; V710-R714 PolarHBondContact O-N 3.11Å; V710-R714 VanDerWaalsContact O-N 3.13Å
711	K	93.8	Very high	92	Very high	102 Å²	102	61 Å²	61	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-43.4	174	-67.9	162.5	-160	153.8	0	110.9	E707 D708 R714 R715	E707-K711 VanDerWaalsContact O-CG 3.27Å; E707-K711 WeakPolarHBondContact O-CG 3.19Å; E707-K711 PolarHBondContact O-N 3.39Å; E707-K711 VanDerWaalsContact OE2-CE 3.29Å; E707-K711 WeakPolarHBondContact OE2-CE 3.31Å; E707-K711 IonicContact OE2-NZ 3.24Å; E707-K711 PolarHBondContact OE2-NZ 3Å; D708-K711 PolarHBondContact O-N 2.9Å; D708-K711 WeakPolarHBondContact OD1-CD 3.21Å; D708-K711 IonicContact OD1-NZ 3.22Å; D708-K711 PolarHBondContact OD1-NZ 2.89Å; K711-R714 PolarHBondContact O-N 2.82Å; K711-R715 PolarHBondContact O-N 3.32Å
712	E	93.5	Very high	90.8	Very high	22 Å²	22	66.8 Å²	66.8	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-67.7	-43.1	-179.4	-163.8	63	-91.9	0	0	112.1	D708 V710 R714 R715 V716 F740 H784 R788 Y789	D708-E712 VanDerWaalsContact O-CB 3.28Å; D708-E712 WeakPolarHBondContact O-CB 3.44Å; D708-E712 PolarHBondContact O-N 2.87Å; V710-E712 VanDerWaalsContact C-N 3.35Å; E712-R714 PolarHBondContact O-N 2.83Å; E712-R715 WeakPolarHBondContact O-CB 3.21Å; E712-R715 PolarHBondContact O-N 3.48Å; E712-R715 VanDerWaalsContact O-N 3.16Å; E712-R715 WeakPolarHBondContact OE1-CD 3.01Å; E712-V716 PolarHBondContact O-N 2.96Å; E712-F740 HydrophobicContact CG-CE2 4.05Å; E712-F740 HydrophobicContact CG-CZ 4.4Å; E712-H784 IonicContact OE1-CD2 2.72Å; E712-H784 IonicContact OE1-CE1 3.97Å; E712-H784 PolarHBondContact OE1-CE1 2.82Å; E712-H784 IonicContact OE1-NE2 3.95Å; E712-H784 PolarHBondContact OE1-NE2 3.33Å; E712-H784 IonicContact OE2-NE2 3.5Å; E712-R788 IonicContact OE2-NE 3.79Å; E712-Y789 HydrophobicContact CG-CE2 4.45Å
713	R	94	Very high	88.7	Confident	47 Å²	47	75.8 Å²	75.8	18%	0.177	38%	0.384	C	S	.	.	H	α-helix	trans	-55.9	-48.5	171.5	-80.8	-178.6	-84	-96.5	6.6	112.2	A709 R715 V716 T717 F740 R741 F743	A709-R713 WeakPolarHBondContact O-CB 3.4Å; A709-R713 WeakPolarHBondContact O-CG 3.19Å; A709-R713 PolarHBondContact O-N 3.37Å; A709-R713 PolarHBondContact O-NE 3.2Å; R713-R715 VanDerWaalsContact C-N 3.3Å; R713-R715 PolarHBondContact O-N 3.31Å; R713-V716 PolarHBondContact O-N 2.97Å; R713-T717 PolarHBondContact O-N 2.87Å; R713-T717 PolarHBondContact O-OG1 2.91Å; R713-T717 VanDerWaalsContact O-OG1 3.14Å; R713-F740 WeakPolarHBondContact CD-O 3.1Å; R713-F740 HydrophobicContact CG-CD1 4.49Å; R713-F740 HydrophobicContact CG-CE1 3.91Å; R713-F740 HydrophobicContact CG-CZ 3.93Å; R713-F740 PolarHBondContact NH1-O 2.94Å; R713-R741 VanDerWaalsContact CD-O 3.23Å; R713-R741 WeakPolarHBondContact CD-O 3.11Å; R713-F743 PolarHBondContact NH1-O 2.83Å; R713-F743 PolarHBondContact NH2-O 3.13Å
714	R	93.1	Very high	86.7	Confident	183 Å²	183	80.8 Å²	80.8	69%	0.691	41%	0.408	S	S	*	.	H	α-helix	trans	-60.2	-38.7	176.4	-70.5	174	-176.6	174	3.3	112.3	V710 K711 E712 G718	V710-R714 WeakPolarHBondContact O-CG 3.06Å; V710-R714 PolarHBondContact O-N 3.11Å; V710-R714 VanDerWaalsContact O-N 3.13Å; K711-R714 PolarHBondContact O-N 2.82Å; E712-R714 PolarHBondContact O-N 2.83Å; R714-G718 PolarHBondContact O-N 3.38Å
715	R	92.2	Very high	84.8	Confident	154 Å²	154	85.4 Å²	85.4	58%	0.581	44%	0.439	S	S	*	.	H	α-helix	trans	-64.1	-45.4	176.4	-177.7	174	179.9	140.1	0.3	111.8	K711 E712 R713 G718 L719 H784	K711-R715 PolarHBondContact O-N 3.32Å; E712-R715 WeakPolarHBondContact O-CB 3.21Å; E712-R715 PolarHBondContact O-N 3.48Å; E712-R715 VanDerWaalsContact O-N 3.16Å; E712-R715 WeakPolarHBondContact OE1-CD 3.01Å; R713-R715 VanDerWaalsContact C-N 3.3Å; R713-R715 PolarHBondContact O-N 3.31Å; R715-G718 CarbonylContact O-C 3.59Å; R715-G718 PolarHBondContact O-N 2.83Å; R715-G718 VanDerWaalsContact O-N 3.16Å; R715-L719 WeakPolarHBondContact O-CG 3.44Å; R715-L719 PolarHBondContact O-N 3.17Å; R715-H784 PolarHBondContact NE-CE1 2.84Å
716	V	91.5	Very high	83.1	Confident	6 Å²	6	84.9 Å²	84.9	4%	0.036	44%	0.436	C	S	.	.	H	α-helix	trans	-65.7	-40.1	177.6	167.9	0	0	0	0	111.8	E712 R713 G718 L719 L720 F740 V781 L785	E712-V716 PolarHBondContact O-N 2.96Å; R713-V716 PolarHBondContact O-N 2.97Å; V716-G718 VanDerWaalsContact C-N 3.29Å; V716-G718 PolarHBondContact O-N 2.88Å; V716-L719 PolarHBondContact O-N 3.28Å; V716-L720 HydrophobicContact CG1-CD1 4.25Å; V716-L720 WeakPolarHBondContact O-CG 3.26Å; V716-L720 PolarHBondContact O-N 2.95Å; V716-F740 HydrophobicContact CB-CE1 4.01Å; V716-F740 HydrophobicContact CB-CZ 3.89Å; V716-F740 HydrophobicContact CG1-CE1 3.94Å; V716-F740 HydrophobicContact CG1-CZ 4.27Å; V716-F740 HydrophobicContact CG2-CE1 4.17Å; V716-F740 HydrophobicContact CG2-CE2 4.48Å; V716-F740 HydrophobicContact CG2-CZ 3.63Å; V716-V781 HydrophobicContact CG1-CG1 4.01Å; V716-L785 HydrophobicContact CG2-CD2 3.8Å; V716-L785 HydrophobicContact CG2-CG 4.36Å
717	T	90.4	Very high	81.5	Confident	96 Å²	96	88.4 Å²	88.4	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-59	-39.8	170.3	-56.8	0	0	0	0	112	R713 L720 S721	R713-T717 PolarHBondContact O-N 2.87Å; R713-T717 PolarHBondContact O-OG1 2.91Å; R713-T717 VanDerWaalsContact O-OG1 3.14Å; T717-L720 PolarHBondContact O-N 2.82Å; T717-S721 PolarHBondContact O-N 2.98Å
718	G	88.3	Confident	80.5	Confident	34 Å²	34	85.1 Å²	85.1	35%	0.351	44%	0.439	S	S	.	.	H	α-helix	trans	-69.1	-27.6	175.1	0	0	0	0	0	114.8	R714 R715 V716 S721	R714-G718 PolarHBondContact O-N 3.38Å; R715-G718 CarbonylContact O-C 3.59Å; R715-G718 PolarHBondContact O-N 2.83Å; R715-G718 VanDerWaalsContact O-N 3.16Å; V716-G718 VanDerWaalsContact C-N 3.29Å; V716-G718 PolarHBondContact O-N 2.88Å; G718-S721 PolarHBondContact O-OG 3.01Å
719	L	86.7	Confident	79.9	Confident	33 Å²	33	85.3 Å²	85.3	17%	0.173	44%	0.437	C	S	.	.	H	α-helix	trans	-76.4	-31.3	172.4	-70.5	172.4	0	0	0	112.1	R715 V716 M722 N780 V781 H784	R715-L719 WeakPolarHBondContact O-CG 3.44Å; R715-L719 PolarHBondContact O-N 3.17Å; V716-L719 PolarHBondContact O-N 3.28Å; L719-M722 HydrophobicContact CD2-SD 4.35Å; L719-M722 PolarHBondContact O-N 2.9Å; L719-N780 PolarHBondContact O-ND2 3.48Å; L719-V781 HydrophobicContact CB-CG2 3.78Å; L719-H784 HydrophobicContact CD1-CB 3.83Å
720	L	83.9	Confident	79.8	Confident	88 Å²	88	86.1 Å²	86.1	46%	0.461	44%	0.439	S	S	.	.	H	α-helix	trans	-70.6	-27.9	175.9	-76.1	164.4	0	0	0	113.3	V716 T717 P778 V781	V716-L720 HydrophobicContact CG1-CD1 4.25Å; V716-L720 WeakPolarHBondContact O-CG 3.26Å; V716-L720 PolarHBondContact O-N 2.95Å; T717-L720 PolarHBondContact O-N 2.82Å; L720-P778 HydrophobicContact CD2-CG 4.42Å; L720-V781 HydrophobicContact CD2-CG2 3.85Å; L720-V781 HydrophobicContact CG-CG2 3.88Å
721	S	80.3	Confident	79.9	Confident	89 Å²	89	85.4 Å²	85.4	62%	0.622	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.4	175.8	60.9	0	0	0	0	114.2	T717 G718 M723	T717-S721 PolarHBondContact O-N 2.98Å; G718-S721 PolarHBondContact O-OG 3.01Å; S721-M723 PolarHBondContact O-N 2.84Å
722	M	74.1	Confident	79.8	Confident	123 Å²	123	80.6 Å²	80.6	61%	0.606	41%	0.409	S	S	*	.	S	Bend	trans	-77.4	100.7	169.6	-73.8	-179	155.3	0	0	109.7	L719 E724	L719-M722 HydrophobicContact CD2-SD 4.35Å; L719-M722 PolarHBondContact O-N 2.9Å; M722-E724 PolarHBondContact O-N 2.86Å
723	M	52.6	Low	79.8	Confident	189 Å²	189	79.5 Å²	79.5	93%	0.931	40%	0.404	S	S	*	.			trans	-71.3	62.3	179.2	-65.3	-175.5	70.9	0	0	113.2	S721 P725	S721-M723 PolarHBondContact O-N 2.84Å; M723-P725 WeakPolarHBondContact O-CD 3.28Å
724	E	57.1	Low	79.8	Confident	144 Å²	144	80.9 Å²	80.9	67%	0.673	41%	0.41	S	S	*	.			trans	-98.2	109.3	170.3	-169.7	162.2	-134.7	0	0	109.1	M722 S726	M722-E724 PolarHBondContact O-N 2.86Å; E724-S726 PolarHBondContact O-N 2.96Å
725	P	55.6	Low	79.7	Confident	114 Å²	114	73.4 Å²	73.4	74%	0.74	38%	0.382	S	S	*	.			trans	-73.8	89.8	-174.8	29.1	-34.5	0	0	0	110.8	M723 L727	M723-P725 WeakPolarHBondContact O-CD 3.28Å; P725-L727 PolarHBondContact O-N 3.18Å
726	S	57.5	Low	79.8	Confident	32 Å²	32	66.1 Å²	66.1	22%	0.224	36%	0.355	C	S	.	.			trans	-68.3	129.2	-178.4	61.6	0	0	0	0	112.2	E724 L728 Q779	E724-S726 PolarHBondContact O-N 2.96Å; S726-L728 WeakPolarHBondContact CB-O 3.17Å; S726-L728 PolarHBondContact O-N 2.95Å; S726-L728 PolarHBondContact OG-O 2.97Å; S726-Q779 PolarHBondContact OG-N 3.34Å
727	L	59.5	Low	79.9	Confident	101 Å²	101	66.3 Å²	66.3	53%	0.529	36%	0.355	S	S	.	.	S	Bend	trans	-66.5	-3.6	177.3	-69.3	171.3	0	0	0	114.3	F92 P725	F92-L727 HydrophobicContact CZ-CD2 4.18Å; P725-L727 PolarHBondContact O-N 3.18Å
728	L	69.6	Low	80.1	Confident	71 Å²	71	61.9 Å²	61.9	37%	0.372	33%	0.328	S	S	.	.			trans	-127.7	145.1	171.7	-64.6	174.3	0	0	0	108.7	S726 F730	S726-L728 WeakPolarHBondContact CB-O 3.17Å; S726-L728 PolarHBondContact O-N 2.95Å; S726-L728 PolarHBondContact OG-O 2.97Å; L728-F730 HydrophobicContact CB-CE2 4.12Å
729	Q	81.3	Confident	80.4	Confident	99 Å²	99	60.9 Å²	60.9	46%	0.463	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.7	171	-66.4	178.9	-6.1	0	0	107.7	N796	Q729-N796 WeakPolarHBondContact O-CA 3.26Å
730	F	90.3	Very high	80.8	Confident	23 Å²	23	59.8 Å²	59.8	10%	0.101	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.8	-179.2	-69.5	-92.9	0	0	0	110.9	L728 M776 L777 Q779 W782 A794 V795 N796	L728-F730 HydrophobicContact CB-CE2 4.12Å; F730-M776 CarbonylContact O-C 3.45Å; F730-M776 WeakPolarHBondContact O-CA 3.34Å; F730-L777 PolarHBondContact N-O 3.39Å; F730-L777 PolarHBondContact O-N 3.26Å; F730-Q779 HydrophobicContact CE2-CB 4.23Å; F730-Q779 HydrophobicContact CE2-CG 4.04Å; F730-W782 HydrophobicContact CB-CB 3.84Å; F730-W782 HydrophobicContact CB-CD2 3.6Å; F730-W782 HydrophobicContact CB-CE3 3.73Å; F730-W782 HydrophobicContact CB-CG 3.6Å; F730-W782 AromaticContact CD1-CD1 3.7Å; F730-W782 AromaticContact CD1-CD2 3.88Å; F730-W782 HydrophobicContact CD1-CD2 3.88Å; F730-W782 AromaticContact CD1-CE2 3.84Å; F730-W782 AromaticContact CD1-CG 3.85Å; F730-W782 HydrophobicContact CD1-CG 3.85Å; F730-W782 AromaticContact CD1-NE1 3.69Å; F730-W782 HydrophobicContact CD2-CB 3.66Å; F730-W782 AromaticContact CD2-CD1 3.64Å; F730-W782 HydrophobicContact CD2-CD2 4.37Å; F730-W782 AromaticContact CD2-CG 3.57Å; F730-W782 HydrophobicContact CD2-CG 3.57Å; F730-W782 AromaticContact CE1-CD1 3.82Å; F730-W782 HydrophobicContact CE1-CG 4.41Å; F730-W782 AromaticContact CE1-NE1 3.76Å; F730-W782 HydrophobicContact CE2-CB 4.42Å; F730-W782 AromaticContact CE2-CD1 3.77Å; F730-W782 HydrophobicContact CE2-CG 4.17Å; F730-W782 HydrophobicContact CG-CB 3.85Å; F730-W782 AromaticContact CG-CD1 3.6Å; F730-W782 AromaticContact CG-CD2 3.7Å; F730-W782 HydrophobicContact CG-CD2 3.7Å; F730-W782 HydrophobicContact CG-CE3 4.34Å; F730-W782 AromaticContact CG-CG 3.39Å; F730-W782 HydrophobicContact CG-CG 3.39Å; F730-W782 AromaticContact CZ-CD1 3.85Å; F730-A794 HydrophobicContact CD1-CB 4.45Å; F730-A794 HydrophobicContact CE1-CB 4.35Å; F730-V795 CarbonylContact C-O 3.52Å; F730-V795 VanDerWaalsContact CA-O 3.3Å; F730-V795 WeakPolarHBondContact CA-O 3.49Å; F730-N796 HydrophobicContact CD1-CB 4.47Å; F730-N796 HydrophobicContact CE1-CB 4.42Å
731	Y	92.1	Very high	81.2	Confident	44 Å²	44	60.6 Å²	60.6	17%	0.173	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.1	174.8	-62.7	-90.3	0	0	0	109.5	V774 M775 M776 V795 N796 L798	Y731-V774 HydrophobicContact CD1-CB 4.17Å; Y731-V774 HydrophobicContact CD1-CG2 3.85Å; Y731-V774 HydrophobicContact CE1-CG2 4.43Å; Y731-M775 WeakPolarHBondContact CA-O 3.05Å; Y731-M776 HydrophobicContact CD1-CG 3.67Å; Y731-M776 HydrophobicContact CD1-SD 4.49Å; Y731-M776 HydrophobicContact CE1-CG 3.33Å; Y731-M776 HydrophobicContact CE1-SD 3.58Å; Y731-M776 VanDerWaalsContact CE1-SD 3.58Å; Y731-V795 HydrophobicContact CD2-CG1 4.22Å; Y731-V795 PolarHBondContact N-O 2.81Å; Y731-N796 WeakPolarHBondContact CE2-O 3.48Å; Y731-L798 HydrophobicContact CD1-CD1 3.49Å; Y731-L798 VanDerWaalsContact CD1-CD1 3.49Å; Y731-L798 HydrophobicContact CD1-CD2 4.46Å; Y731-L798 HydrophobicContact CD1-CG 3.95Å; Y731-L798 HydrophobicContact CD2-CD1 4.42Å; Y731-L798 HydrophobicContact CD2-CD2 4.49Å; Y731-L798 HydrophobicContact CD2-CG 4Å; Y731-L798 HydrophobicContact CE1-CD1 3.45Å; Y731-L798 VanDerWaalsContact CE1-CD1 3.45Å; Y731-L798 HydrophobicContact CE1-CG 4.05Å; Y731-L798 HydrophobicContact CE2-CD1 4.4Å; Y731-L798 HydrophobicContact CE2-CG 4.11Å; Y731-L798 HydrophobicContact CG-CD1 4Å; Y731-L798 HydrophobicContact CG-CD2 4.18Å; Y731-L798 HydrophobicContact CG-CG 3.92Å
732	I	93.2	Very high	81.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.8	175.4	-158.6	164.4	0	0	0	110.4	R734 W736 L737 I749 V774 M775 L777 W782	I732-R734 PolarHBondContact O-N 3.43Å; I732-W736 HydrophobicContact CD1-CD2 4.44Å; I732-W736 HydrophobicContact CD1-CE3 3.47Å; I732-W736 VanDerWaalsContact CD1-CE3 3.47Å; I732-W736 HydrophobicContact CD1-CZ3 3.65Å; I732-W736 HydrophobicContact CG1-CE3 4.16Å; I732-L737 HydrophobicContact CG2-CB 4.45Å; I732-L737 HydrophobicContact CG2-CD2 4.44Å; I732-I749 HydrophobicContact CD1-CD1 4.18Å; I732-I749 HydrophobicContact CD1-CG1 4.35Å; I732-I749 HydrophobicContact CD1-CG2 3.89Å; I732-I749 HydrophobicContact CG1-CG2 3.89Å; I732-V774 CarbonylContact O-C 3.51Å; I732-V774 WeakPolarHBondContact O-CA 3.42Å; I732-M775 HydrophobicContact CG2-CB 4.33Å; I732-M775 PolarHBondContact N-O 3.1Å; I732-M775 PolarHBondContact O-N 2.99Å; I732-L777 HydrophobicContact CB-CD1 4.09Å; I732-L777 HydrophobicContact CD1-CD1 4.01Å; I732-L777 HydrophobicContact CG2-CD1 3.67Å; I732-L777 HydrophobicContact CG2-CG 3.91Å; I732-W782 HydrophobicContact CB-CZ3 4.24Å; I732-W782 HydrophobicContact CD1-CE3 4.35Å; I732-W782 HydrophobicContact CD1-CZ3 3.96Å; I732-W782 HydrophobicContact CG1-CZ3 4.08Å
733	S	93.3	Very high	82.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	128.5	169.6	168.3	0	0	0	0	111.3	Q735 W736 L737 S750 N751 D753	S733-Q735 VanDerWaalsContact C-N 3.27Å; S733-Q735 WeakPolarHBondContact OG-CB 3.43Å; S733-Q735 PolarHBondContact OG-N 2.82Å; S733-W736 PolarHBondContact O-N 3.46Å; S733-W736 PolarHBondContact OG-N 2.99Å; S733-L737 WeakPolarHBondContact O-CB 3.32Å; S733-L737 PolarHBondContact O-N 3.26Å; S733-S750 WeakPolarHBondContact CB-O 3.48Å; S733-N751 PolarHBondContact N-OD1 2.91Å; S733-D753 WeakPolarHBondContact CB-OD1 3.35Å; S733-D753 WeakPolarHBondContact CB-OD2 3.31Å; S733-D753 PolarHBondContact OG-OD1 3.49Å; S733-D753 PolarHBondContact OG-OD2 3.44Å
734	R	92.8	Very high	84.8	Confident	76 Å²	76	43 Å²	43	29%	0.287	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-36	166.5	-74	-178.4	-173.8	-133.9	6.9	111	I732 L737 N738 D771 D772 L773 V774 M775	I732-R734 PolarHBondContact O-N 3.43Å; R734-L737 PolarHBondContact O-N 2.87Å; R734-N738 WeakPolarHBondContact O-CB 3.47Å; R734-N738 PolarHBondContact O-N 2.83Å; R734-D771 VanDerWaalsContact CZ-O 3.23Å; R734-D771 PolarHBondContact NE-O 2.85Å; R734-D771 PolarHBondContact NH2-O 3.47Å; R734-D772 WeakPolarHBondContact CD-O 3.36Å; R734-L773 WeakPolarHBondContact CB-O 3.4Å; R734-L773 WeakPolarHBondContact CG-O 3.47Å; R734-L773 PolarHBondContact N-O 2.96Å; R734-V774 PolarHBondContact NE-O 3.48Å; R734-M775 HydrophobicContact CG-CB 4.26Å
735	Q	92.2	Very high	86.4	Confident	26 Å²	26	38.8 Å²	38.8	12%	0.121	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-41.7	178.1	-161	-162.2	53	0	0	111.6	F183 L190 S733 K739	F183-Q735 HydrophobicContact CD2-CG 4.41Å; F183-Q735 HydrophobicContact CE2-CG 4.25Å; L190-Q735 HydrophobicContact CD1-CB 4Å; L190-Q735 HydrophobicContact CD1-CG 4.08Å; S733-Q735 VanDerWaalsContact C-N 3.27Å; S733-Q735 WeakPolarHBondContact OG-CB 3.43Å; S733-Q735 PolarHBondContact OG-N 2.82Å; Q735-K739 WeakPolarHBondContact O-CG 3.36Å; Q735-K739 PolarHBondContact O-N 3.04Å; Q735-K739 VanDerWaalsContact O-N 3.12Å
736	W	94.3	Very high	88.2	Confident	1 Å²	1	34 Å²	34	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-68.4	-42.2	172.9	-172.9	88.5	0	0	0	111.9	I732 S733 N738 K739 F740 G747 P748 I749 L785 Y789	I732-W736 HydrophobicContact CD1-CD2 4.44Å; I732-W736 HydrophobicContact CD1-CE3 3.47Å; I732-W736 VanDerWaalsContact CD1-CE3 3.47Å; I732-W736 HydrophobicContact CD1-CZ3 3.65Å; I732-W736 HydrophobicContact CG1-CE3 4.16Å; S733-W736 PolarHBondContact O-N 3.46Å; S733-W736 PolarHBondContact OG-N 2.99Å; W736-N738 VanDerWaalsContact C-N 3.29Å; W736-N738 PolarHBondContact O-N 3.48Å; W736-K739 CarbonylContact O-C 3.59Å; W736-K739 WeakPolarHBondContact O-CA 3.43Å; W736-K739 WeakPolarHBondContact O-CB 3.26Å; W736-K739 PolarHBondContact O-N 2.88Å; W736-K739 VanDerWaalsContact O-N 3.13Å; W736-F740 HydrophobicContact CE3-CB 4.27Å; W736-F740 HydrophobicContact CH2-CB 3.98Å; W736-F740 HydrophobicContact CH2-CD2 4.14Å; W736-F740 HydrophobicContact CH2-CG 4.25Å; W736-F740 HydrophobicContact CZ3-CB 3.84Å; W736-F740 HydrophobicContact CZ3-CG 4.27Å; W736-F740 PolarHBondContact O-N 2.93Å; W736-G747 PolarHBondContact NE1-O 2.8Å; W736-G747 VanDerWaalsContact NE1-O 3.14Å; W736-P748 VanDerWaalsContact CD1-O 3.25Å; W736-P748 PolarHBondContact NE1-O 2.9Å; W736-I749 HydrophobicContact CD2-CB 4.48Å; W736-I749 HydrophobicContact CD2-CG1 4.12Å; W736-I749 HydrophobicContact CE3-CG1 4.26Å; W736-I749 HydrophobicContact CH2-CD1 4.46Å; W736-I749 HydrophobicContact CH2-CG1 3.85Å; W736-I749 HydrophobicContact CZ2-CG1 3.68Å; W736-I749 HydrophobicContact CZ3-CG1 4.14Å; W736-L785 HydrophobicContact CH2-CD2 4.18Å; W736-L785 HydrophobicContact CZ3-CD1 4.31Å; W736-L785 HydrophobicContact CZ3-CD2 4.45Å; W736-Y789 AromaticContact CH2-CD2 3.87Å; W736-Y789 HydrophobicContact CH2-CD2 3.87Å; W736-Y789 HydrophobicContact CH2-CE2 4.31Å; W736-Y789 HydrophobicContact CH2-CG 4.19Å; W736-Y789 HydrophobicContact CZ2-CD1 4.29Å; W736-Y789 HydrophobicContact CZ2-CD2 4.01Å; W736-Y789 AromaticContact CZ2-CG 3.84Å; W736-Y789 HydrophobicContact CZ2-CG 3.84Å
737	L	93.4	Very high	89.8	Confident	9 Å²	9	34.1 Å²	34.1	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-34.2	178.2	-172	63.6	0	0	0	112.2	I732 S733 R734 F740 R741 M775	I732-L737 HydrophobicContact CG2-CB 4.45Å; I732-L737 HydrophobicContact CG2-CD2 4.44Å; S733-L737 WeakPolarHBondContact O-CB 3.32Å; S733-L737 PolarHBondContact O-N 3.26Å; R734-L737 PolarHBondContact O-N 2.87Å; L737-F740 HydrophobicContact CD1-CD1 4.13Å; L737-F740 WeakPolarHBondContact O-CB 3.44Å; L737-F740 PolarHBondContact O-N 3.19Å; L737-R741 VanDerWaalsContact O-CG 3.28Å; L737-R741 WeakPolarHBondContact O-CG 3.48Å; L737-R741 PolarHBondContact O-N 3.08Å; L737-M775 HydrophobicContact CD2-CB 4.12Å; L737-M775 HydrophobicContact CD2-CE 4.25Å; L737-M775 HydrophobicContact CD2-CG 4.19Å; L737-M775 HydrophobicContact CD2-SD 3.35Å; L737-M775 WeakPolarHBondContact CD2-SD 3.5Å
738	N	93.6	Very high	91.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-40.9	172.6	-169.4	-95.5	0	0	0	111.5	Q182 F183 E186 R734 W736 R741 T742	Q182-N738 WeakPolarHBondContact CB-ND2 3.27Å; Q182-N738 PolarHBondContact O-ND2 2.96Å; F183-N738 PolarHBondContact N-OD1 2.86Å; E186-N738 PolarHBondContact OE2-ND2 3.17Å; R734-N738 WeakPolarHBondContact O-CB 3.47Å; R734-N738 PolarHBondContact O-N 2.83Å; W736-N738 VanDerWaalsContact C-N 3.29Å; W736-N738 PolarHBondContact O-N 3.48Å; N738-R741 PolarHBondContact O-N 2.81Å; N738-T742 PolarHBondContact O-N 2.85Å; N738-T742 PolarHBondContact O-OG1 3Å
739	K	94.9	Very high	92.6	Very high	13 Å²	13	30 Å²	30	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-47.7	169	-71.6	164.2	177.3	168.9	0	111.1	D457 Q735 W736 R741 T742 F743 P746	D457-K739 WeakPolarHBondContact OD2-CE 3.4Å; D457-K739 IonicContact OD2-NZ 2.7Å; D457-K739 PolarHBondContact OD2-NZ 3.23Å; Q735-K739 WeakPolarHBondContact O-CG 3.36Å; Q735-K739 PolarHBondContact O-N 3.04Å; Q735-K739 VanDerWaalsContact O-N 3.12Å; W736-K739 CarbonylContact O-C 3.59Å; W736-K739 WeakPolarHBondContact O-CA 3.43Å; W736-K739 WeakPolarHBondContact O-CB 3.26Å; W736-K739 PolarHBondContact O-N 2.88Å; W736-K739 VanDerWaalsContact O-N 3.13Å; K739-R741 VanDerWaalsContact C-N 3.29Å; K739-R741 PolarHBondContact O-N 3.25Å; K739-T742 PolarHBondContact O-N 3.41Å; K739-T742 VanDerWaalsContact O-N 3.14Å; K739-F743 HydrophobicContact CB-CD2 3.95Å; K739-F743 HydrophobicContact CB-CE2 4.26Å; K739-F743 HydrophobicContact CB-CG 4.34Å; K739-F743 HydrophobicContact CG-CD2 3.89Å; K739-F743 HydrophobicContact CG-CE2 3.67Å; K739-F743 HydrophobicContact CG-CG 4.48Å; K739-F743 HydrophobicContact CG-CZ 4.08Å; K739-F743 VanDerWaalsContact O-CB 3.32Å; K739-F743 WeakPolarHBondContact O-CB 3.39Å; K739-F743 PolarHBondContact O-N 3.42Å; K739-P746 HydrophobicContact CB-CB 4.06Å
740	F	95.1	Very high	93	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-58.7	-37.1	174.5	173.6	-95.7	0	0	0	113.2	E712 R713 V716 W736 L737 P746 L785 Y789	E712-F740 HydrophobicContact CG-CE2 4.05Å; E712-F740 HydrophobicContact CG-CZ 4.4Å; R713-F740 WeakPolarHBondContact CD-O 3.1Å; R713-F740 HydrophobicContact CG-CD1 4.49Å; R713-F740 HydrophobicContact CG-CE1 3.91Å; R713-F740 HydrophobicContact CG-CZ 3.93Å; R713-F740 PolarHBondContact NH1-O 2.94Å; V716-F740 HydrophobicContact CB-CE1 4.01Å; V716-F740 HydrophobicContact CB-CZ 3.89Å; V716-F740 HydrophobicContact CG1-CE1 3.94Å; V716-F740 HydrophobicContact CG1-CZ 4.27Å; V716-F740 HydrophobicContact CG2-CE1 4.17Å; V716-F740 HydrophobicContact CG2-CE2 4.48Å; V716-F740 HydrophobicContact CG2-CZ 3.63Å; W736-F740 HydrophobicContact CE3-CB 4.27Å; W736-F740 HydrophobicContact CH2-CB 3.98Å; W736-F740 HydrophobicContact CH2-CD2 4.14Å; W736-F740 HydrophobicContact CH2-CG 4.25Å; W736-F740 HydrophobicContact CZ3-CB 3.84Å; W736-F740 HydrophobicContact CZ3-CG 4.27Å; W736-F740 PolarHBondContact O-N 2.93Å; L737-F740 HydrophobicContact CD1-CD1 4.13Å; L737-F740 WeakPolarHBondContact O-CB 3.44Å; L737-F740 PolarHBondContact O-N 3.19Å; F740-P746 HydrophobicContact CB-CB 4.45Å; F740-L785 HydrophobicContact CD2-CD2 4.17Å; F740-L785 HydrophobicContact CE2-CD2 3.89Å; F740-L785 HydrophobicContact CZ-CD2 4.09Å; F740-Y789 AromaticContact CD2-CE2 3.92Å; F740-Y789 HydrophobicContact CD2-CE2 3.92Å; F740-Y789 AromaticContact CD2-CZ 4Å; F740-Y789 AromaticContact CE2-CE2 3.85Å; F740-Y789 HydrophobicContact CE2-CE2 3.85Å
741	R	92.9	Very high	93	Very high	105 Å²	105	25.5 Å²	25.5	40%	0.396	13%	0.132	S	C	.	.	H	α-helix	trans	-67.7	-35.2	175.8	-74.1	169.4	-173.6	-154.4	-2	112.9	E186 R713 L737 N738 K739	E186-R741 IonicContact OE1-CZ 2.88Å; E186-R741 IonicContact OE1-NH1 2.7Å; E186-R741 PolarHBondContact OE1-NH1 3Å; E186-R741 IonicContact OE2-NH1 3.15Å; E186-R741 PolarHBondContact OE2-NH1 3.23Å; R713-R741 VanDerWaalsContact CD-O 3.23Å; R713-R741 WeakPolarHBondContact CD-O 3.11Å; L737-R741 VanDerWaalsContact O-CG 3.28Å; L737-R741 WeakPolarHBondContact O-CG 3.48Å; L737-R741 PolarHBondContact O-N 3.08Å; N738-R741 PolarHBondContact O-N 2.81Å; K739-R741 VanDerWaalsContact C-N 3.29Å; K739-R741 PolarHBondContact O-N 3.25Å
742	T	93.9	Very high	92.7	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.043	15%	0.151	C	C	.	.	H	α-helix	trans	-114.3	-35.7	-166.4	58.3	0	0	0	0	115.4	P178 Q182 K703 N738 K739	P178-T742 HydrophobicContact CB-CG2 4.4Å; Q182-T742 HydrophobicContact CB-CG2 3.92Å; Q182-T742 HydrophobicContact CG-CG2 3.9Å; K703-T742 WeakPolarHBondContact CE-O 3.32Å; K703-T742 PolarHBondContact NZ-O 3.42Å; N738-T742 PolarHBondContact O-N 2.85Å; N738-T742 PolarHBondContact O-OG1 3Å; K739-T742 PolarHBondContact O-N 3.41Å; K739-T742 VanDerWaalsContact O-N 3.14Å
743	F	95.4	Very high	92.4	Very high	17 Å²	17	28.8 Å²	28.8	8%	0.075	15%	0.153	C	C	.	.			trans	-79.2	160.8	-173.3	-76.5	-125.9	0	0	0	113.1	P179 D457 V458 E600 R713 K739	P179-F743 HydrophobicContact CB-CD2 4.23Å; P179-F743 HydrophobicContact CB-CE2 3.75Å; P179-F743 HydrophobicContact CB-CZ 4.43Å; P179-F743 HydrophobicContact CG-CD2 4.46Å; P179-F743 HydrophobicContact CG-CE2 4.41Å; D457-F743 HydrophobicContact CB-CZ 4.21Å; D457-F743 VanDerWaalsContact O-CE1 3.25Å; D457-F743 WeakPolarHBondContact O-CE1 3.3Å; V458-F743 HydrophobicContact CG2-CE2 4.37Å; V458-F743 HydrophobicContact CG2-CZ 3.98Å; E600-F743 HydrophobicContact CB-CD1 3.72Å; E600-F743 HydrophobicContact CB-CE1 3.69Å; E600-F743 HydrophobicContact CB-CG 4.38Å; E600-F743 HydrophobicContact CB-CZ 4.32Å; E600-F743 VanDerWaalsContact CD-CA 3.41Å; E600-F743 HydrophobicContact CG-CB 4.27Å; E600-F743 HydrophobicContact CG-CD1 3.64Å; E600-F743 HydrophobicContact CG-CD2 4.22Å; E600-F743 HydrophobicContact CG-CE1 3.96Å; E600-F743 HydrophobicContact CG-CG 3.78Å; E600-F743 HydrophobicContact CG-CZ 4.37Å; E600-F743 VanDerWaalsContact OE1-CA 3.31Å; E600-F743 WeakPolarHBondContact OE1-CA 3.2Å; R713-F743 PolarHBondContact NH1-O 2.83Å; R713-F743 PolarHBondContact NH2-O 3.13Å; K739-F743 HydrophobicContact CB-CD2 3.95Å; K739-F743 HydrophobicContact CB-CE2 4.26Å; K739-F743 HydrophobicContact CB-CG 4.34Å; K739-F743 HydrophobicContact CG-CD2 3.89Å; K739-F743 HydrophobicContact CG-CE2 3.67Å; K739-F743 HydrophobicContact CG-CG 4.48Å; K739-F743 HydrophobicContact CG-CZ 4.08Å; K739-F743 VanDerWaalsContact O-CB 3.32Å; K739-F743 WeakPolarHBondContact O-CB 3.39Å; K739-F743 PolarHBondContact O-N 3.42Å
744	A	93.8	Very high	92.2	Very high	9 Å²	9	28.8 Å²	28.8	7%	0.074	15%	0.153	C	C	.	.	S	Bend	trans	-74.9	-38.8	160.3	0	0	0	0	0	111.6	E600 T644 K704	E600-A744 VanDerWaalsContact CD-N 3.28Å; E600-A744 PolarHBondContact OE1-N 2.79Å; E600-A744 PolarHBondContact OE2-N 2.83Å; T644-A744 HydrophobicContact CG2-CB 4.14Å; K704-A744 HydrophobicContact CB-CB 3.53Å; K704-A744 HydrophobicContact CD-CB 4.12Å; K704-A744 HydrophobicContact CG-CB 4.48Å
745	E	90.9	Very high	92.1	Very high	54 Å²	54	25.7 Å²	25.7	25%	0.252	14%	0.142	S	C	.	.			trans	-128.3	77.4	-170	-65.8	169.2	157.7	0	0	110.5	Q643 T644 K704 G747	Q643-E745 WeakPolarHBondContact CA-OE1 3.32Å; Q643-E745 WeakPolarHBondContact CB-OE1 3.47Å; Q643-E745 PolarHBondContact N-OE1 2.85Å; T644-E745 WeakPolarHBondContact CB-OE1 3.49Å; T644-E745 PolarHBondContact N-OE1 3.38Å; T644-E745 PolarHBondContact OG1-OE1 3Å; K704-E745 IonicContact NZ-OE2 3.17Å; K704-E745 PolarHBondContact NZ-OE2 2.87Å; E745-G747 PolarHBondContact O-N 3.23Å
746	P	91.9	Very high	91.9	Very high	15 Å²	15	25.6 Å²	25.6	10%	0.097	14%	0.144	C	C	.	.			trans	-71.9	-11.3	-171.6	29.7	-37.3	0	0	0	115.1	K739 F740 Y789	K739-P746 HydrophobicContact CB-CB 4.06Å; F740-P746 HydrophobicContact CB-CB 4.45Å; P746-Y789 HydrophobicContact CG-CD1 4.21Å; P746-Y789 HydrophobicContact CG-CE1 3.61Å
747	G	91.3	Very high	91.4	Very high	33 Å²	33	31.5 Å²	31.5	34%	0.34	18%	0.179	S	C	.	.			trans	76.2	-178.7	-176.9	0	0	0	0	0	114.5	W736 E745	W736-G747 PolarHBondContact NE1-O 2.8Å; W736-G747 VanDerWaalsContact NE1-O 3.14Å; E745-G747 PolarHBondContact O-N 3.23Å
748	P	93.7	Very high	90.8	Very high	82 Å²	82	35 Å²	35	53%	0.532	20%	0.195	S	C	.	.	S	Bend	trans	-66.2	156.2	175.9	30.4	-36.1	0	0	0	111.5	W736 S750 Y789	W736-P748 VanDerWaalsContact CD1-O 3.25Å; W736-P748 PolarHBondContact NE1-O 2.9Å; P748-S750 PolarHBondContact O-N 2.86Å; P748-Y789 WeakPolarHBondContact CA-O 3.27Å; P748-Y789 WeakPolarHBondContact CB-O 3.34Å
749	I	93.8	Very high	89.5	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	118.2	-180	-59.6	170.4	0	0	0	109.3	I732 W736 W782 L785 Y786 G790 G791 G792	I732-I749 HydrophobicContact CD1-CD1 4.18Å; I732-I749 HydrophobicContact CD1-CG1 4.35Å; I732-I749 HydrophobicContact CD1-CG2 3.89Å; I732-I749 HydrophobicContact CG1-CG2 3.89Å; W736-I749 HydrophobicContact CD2-CB 4.48Å; W736-I749 HydrophobicContact CD2-CG1 4.12Å; W736-I749 HydrophobicContact CE3-CG1 4.26Å; W736-I749 HydrophobicContact CH2-CD1 4.46Å; W736-I749 HydrophobicContact CH2-CG1 3.85Å; W736-I749 HydrophobicContact CZ2-CG1 3.68Å; W736-I749 HydrophobicContact CZ3-CG1 4.14Å; I749-W782 HydrophobicContact CD1-CH2 4.24Å; I749-W782 HydrophobicContact CD1-CZ3 4.26Å; I749-W782 HydrophobicContact CG2-CH2 4.17Å; I749-W782 HydrophobicContact CG2-CZ3 4.26Å; I749-L785 HydrophobicContact CD1-CB 4.24Å; I749-Y786 HydrophobicContact CD1-CD2 4.34Å; I749-G790 WeakPolarHBondContact CB-O 3.31Å; I749-G790 WeakPolarHBondContact CG1-O 3.4Å; I749-G790 PolarHBondContact N-O 2.8Å; I749-G791 WeakPolarHBondContact O-CA 3.36Å; I749-G792 PolarHBondContact O-N 2.8Å
750	S	90.1	Very high	88.5	Confident	29 Å²	29	37.3 Å²	37.3	20%	0.203	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.5	175.7	57.9	0	0	0	0	109.7	S733 P748	S733-S750 WeakPolarHBondContact CB-O 3.48Å; P748-S750 PolarHBondContact O-N 2.86Å
751	N	90	Very high	88.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.22	C	C	.	.			trans	-112.5	11.9	179.3	-75.4	-25.7	0	0	0	112.3	S733 D753 F754 L755 P793	S733-N751 PolarHBondContact N-OD1 2.91Å; N751-D753 PolarHBondContact O-N 2.87Å; N751-F754 HydrophobicContact CB-CD1 4.3Å; N751-F754 HydrophobicContact CB-CE1 3.52Å; N751-F754 HydrophobicContact CB-CZ 3.74Å; N751-F754 WeakPolarHBondContact O-CD1 3.38Å; N751-F754 PolarHBondContact O-N 3.42Å; N751-F754 WeakPolarHBondContact OD1-CE1 3.38Å; N751-L755 HydrophobicContact CB-CD1 3.65Å; N751-L755 HydrophobicContact CB-CG 4.14Å; N751-L755 WeakPolarHBondContact O-CB 3.44Å; N751-L755 VanDerWaalsContact O-CG 3.28Å; N751-L755 WeakPolarHBondContact O-CG 3.41Å; N751-L755 PolarHBondContact O-N 3.09Å; N751-P793 PolarHBondContact ND2-O 3.17Å
752	D	85.8	Confident	88.1	Confident	104 Å²	104	32.1 Å²	32.1	56%	0.556	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	-174.5	-46.3	-81.9	0	0	0	113.5	F754 K766	D752-F754 VanDerWaalsContact C-N 3.25Å; D752-F754 PolarHBondContact O-N 2.77Å; D752-K766 PolarHBondContact O-NZ 3.38Å
753	D	86.8	Confident	87.9	Confident	9 Å²	9	32.5 Å²	32.5	5%	0.048	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.3	172.9	66.2	-36.1	0	0	0	112.7	S733 N751 K766	S733-D753 WeakPolarHBondContact CB-OD1 3.35Å; S733-D753 WeakPolarHBondContact CB-OD2 3.31Å; S733-D753 PolarHBondContact OG-OD1 3.49Å; S733-D753 PolarHBondContact OG-OD2 3.44Å; N751-D753 PolarHBondContact O-N 2.87Å; D753-K766 VanDerWaalsContact C-NZ 3.31Å; D753-K766 WeakPolarHBondContact O-CD 3.46Å; D753-K766 WeakPolarHBondContact O-CE 3.3Å; D753-K766 PolarHBondContact O-NZ 2.85Å
754	F	90.1	Very high	87.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-15.7	173.5	73.1	-92.4	0	0	0	115.6	N751 D752 V762 P763 I770 L773 V774 V795 L798	N751-F754 HydrophobicContact CB-CD1 4.3Å; N751-F754 HydrophobicContact CB-CE1 3.52Å; N751-F754 HydrophobicContact CB-CZ 3.74Å; N751-F754 WeakPolarHBondContact O-CD1 3.38Å; N751-F754 PolarHBondContact O-N 3.42Å; N751-F754 WeakPolarHBondContact OD1-CE1 3.38Å; D752-F754 VanDerWaalsContact C-N 3.25Å; D752-F754 PolarHBondContact O-N 2.77Å; F754-V762 HydrophobicContact CD2-CG2 4.42Å; F754-P763 WeakPolarHBondContact O-CD 3.21Å; F754-I770 HydrophobicContact CB-CD1 3.66Å; F754-I770 HydrophobicContact CD2-CD1 3.94Å; F754-I770 HydrophobicContact CG-CD1 4.13Å; F754-L773 HydrophobicContact CB-CB 3.92Å; F754-L773 HydrophobicContact CB-CD1 3.9Å; F754-V774 HydrophobicContact CB-CG1 4.2Å; F754-V774 HydrophobicContact CD1-CG1 3.78Å; F754-V774 HydrophobicContact CD2-CG1 3.66Å; F754-V774 HydrophobicContact CE1-CG1 3.97Å; F754-V774 HydrophobicContact CE2-CG1 3.85Å; F754-V774 HydrophobicContact CG-CG1 3.62Å; F754-V774 HydrophobicContact CZ-CG1 4Å; F754-V795 HydrophobicContact CE2-CG1 4.36Å; F754-V795 HydrophobicContact CE2-CG2 4.17Å; F754-V795 HydrophobicContact CZ-CB 4.49Å; F754-V795 HydrophobicContact CZ-CG2 4.09Å; F754-L798 HydrophobicContact CD2-CD2 4.04Å; F754-L798 HydrophobicContact CE2-CD2 3.71Å
755	L	90.4	Very high	87.4	Confident	11 Å²	11	36 Å²	36	6%	0.058	23%	0.23	C	C	.	.			trans	-90.5	177.2	177.6	-64.3	-177.9	0	0	0	113.6	N751 A760 P793 V795	N751-L755 HydrophobicContact CB-CD1 3.65Å; N751-L755 HydrophobicContact CB-CG 4.14Å; N751-L755 WeakPolarHBondContact O-CB 3.44Å; N751-L755 VanDerWaalsContact O-CG 3.28Å; N751-L755 WeakPolarHBondContact O-CG 3.41Å; N751-L755 PolarHBondContact O-N 3.09Å; L755-A760 HydrophobicContact CD1-CB 4.16Å; L755-A760 HydrophobicContact CD2-CB 4.33Å; L755-A760 WeakPolarHBondContact CD2-O 3.29Å; L755-P793 HydrophobicContact CD1-CG 3.45Å; L755-P793 VanDerWaalsContact CD1-CG 3.45Å; L755-V795 HydrophobicContact CD1-CG2 3.81Å; L755-V795 HydrophobicContact CD2-CG2 4.18Å; L755-V795 HydrophobicContact CG-CG2 4.46Å
756	C	87.7	Confident	87.3	Confident	23 Å²	23	35.5 Å²	35.5	16%	0.155	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-121.5	162.1	173.6	83.7	0	0	0	0	111.7	H758 G759 G761 P763 C801	C756-H758 PolarHBondContact O-N 3.18Å; C756-H758 PolarHBondContact SG-N 2.94Å; C756-H758 VanDerWaalsContact SG-N 3.39Å; C756-G759 VanDerWaalsContact O-O 3.08Å; C756-G759 PolarHBondContact SG-O 3.44Å; C756-G761 PolarHBondContact N-O 3.32Å; C756-G761 VanDerWaalsContact N-O 3.11Å; C756-G761 PolarHBondContact SG-O 3.42Å; C756-G761 VanDerWaalsContact SG-O 3.39Å; C756-P763 HydrophobicContact CB-CG 3.89Å; C756-C801 PolarHBondContact SG-SG 2.96Å
757	V	85.1	Confident	87.2	Confident	125 Å²	125	36.4 Å²	36.4	76%	0.758	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-10.3	178.6	-61.6	0	0	0	0	114.3	G759	V757-G759 VanDerWaalsContact C-N 3.26Å; V757-G759 PolarHBondContact O-N 2.85Å
758	H	79.8	Confident	87.1	Confident	83 Å²	83	40 Å²	40	38%	0.384	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	17.8	-177.8	-55.9	126.3	0	0	0	113.9	C756 T803 C804 E807	C756-H758 PolarHBondContact O-N 3.18Å; C756-H758 PolarHBondContact SG-N 2.94Å; C756-H758 VanDerWaalsContact SG-N 3.39Å; H758-T803 HydrophobicContact CB-CG2 4.14Å; H758-C804 PolarHBondContact ND1-SG 3.23Å; H758-E807 IonicContact CE1-OE1 2.77Å; H758-E807 IonicContact CE1-OE2 3.83Å; H758-E807 PolarHBondContact CE1-OE2 3.42Å; H758-E807 IonicContact ND1-OE2 3.05Å; H758-E807 IonicContact NE2-OE2 3.91Å
759	G	65.9	Low	86.9	Confident	40 Å²	40	39 Å²	39	41%	0.412	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	106.4	169.7	-169.5	0	0	0	0	0	111.9	C756 V757 G761	C756-G759 VanDerWaalsContact O-O 3.08Å; C756-G759 PolarHBondContact SG-O 3.44Å; V757-G759 VanDerWaalsContact C-N 3.26Å; V757-G759 PolarHBondContact O-N 2.85Å; G759-G761 PolarHBondContact O-N 3.34Å
760	A	74.2	Confident	86.8	Confident	26 Å²	26	39.8 Å²	39.8	22%	0.215	25%	0.246	C	C	.	.	S	Bend	trans	-72.8	36.9	-167	0	0	0	0	0	116	L755 P793 Y799	L755-A760 HydrophobicContact CD1-CB 4.16Å; L755-A760 HydrophobicContact CD2-CB 4.33Å; L755-A760 WeakPolarHBondContact CD2-O 3.29Å; A760-P793 HydrophobicContact CB-CB 4.48Å; A760-P793 HydrophobicContact CB-CG 3.97Å; A760-Y799 WeakPolarHBondContact O-CE1 3.33Å
761	G	87.2	Confident	86.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-92.9	154.2	165.2	0	0	0	0	0	111.9	C756 G759 Y799	C756-G761 PolarHBondContact N-O 3.32Å; C756-G761 VanDerWaalsContact N-O 3.11Å; C756-G761 PolarHBondContact SG-O 3.42Å; C756-G761 VanDerWaalsContact SG-O 3.39Å; G759-G761 PolarHBondContact O-N 3.34Å; G761-Y799 CarbonylContact C-O 3.56Å; G761-Y799 WeakPolarHBondContact CA-O 3.47Å; G761-Y799 PolarHBondContact N-OH 3.16Å
762	V	91.6	Very high	86.7	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.024	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-80.1	133.6	178.7	179.5	0	0	0	0	109.9	F754 K766 A767 I770 L798 Y799 V800 C801	F754-V762 HydrophobicContact CD2-CG2 4.42Å; V762-K766 HydrophobicContact CG1-CB 4.04Å; V762-A767 HydrophobicContact CG1-CB 4.31Å; V762-I770 HydrophobicContact CB-CD1 4.48Å; V762-I770 HydrophobicContact CG1-CD1 3.79Å; V762-I770 HydrophobicContact CG1-CG1 4.31Å; V762-I770 HydrophobicContact CG2-CD1 3.77Å; V762-I770 HydrophobicContact CG2-CG1 4.16Å; V762-L798 HydrophobicContact CG2-CB 4.44Å; V762-L798 HydrophobicContact CG2-CD2 3.9Å; V762-Y799 PolarHBondContact N-O 2.89Å; V762-V800 WeakPolarHBondContact O-CA 3.38Å; V762-C801 PolarHBondContact O-N 2.92Å
763	P	91.2	Very high	86.9	Confident	15 Å²	15	42.6 Å²	42.6	10%	0.097	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-57.7	138.6	171.5	-21.9	31.5	0	0	0	111.5	F754 C756 S765 K766 A767	F754-P763 WeakPolarHBondContact O-CD 3.21Å; C756-P763 HydrophobicContact CB-CG 3.89Å; P763-S765 PolarHBondContact O-N 2.85Å; P763-S765 VanDerWaalsContact O-N 3.12Å; P763-K766 HydrophobicContact CB-CB 4.43Å; P763-K766 HydrophobicContact CB-CG 4.21Å; P763-K766 HydrophobicContact CG-CD 3.97Å; P763-K766 HydrophobicContact CG-CG 4.21Å; P763-K766 WeakPolarHBondContact O-CA 3.23Å; P763-K766 PolarHBondContact O-N 3.22Å; P763-A767 PolarHBondContact O-N 3.01Å; P763-A767 VanDerWaalsContact O-N 3.11Å
764	P	90.7	Very high	87.2	Confident	24 Å²	24	42.5 Å²	42.5	16%	0.156	26%	0.258	C	S	.	.	H	α-helix	trans	-53.2	-35.8	177	-26.4	32.6	0	0	0	113.7	K766 A767 V800 C804 Q805 I808	P764-K766 PolarHBondContact O-N 3.29Å; P764-A767 PolarHBondContact O-N 3.11Å; P764-V800 HydrophobicContact CB-CG1 4.1Å; P764-V800 HydrophobicContact CG-CG1 3.71Å; P764-C804 HydrophobicContact CG-CB 4.29Å; P764-Q805 VanDerWaalsContact CB-OE1 3.25Å; P764-Q805 HydrophobicContact CG-CB 3.96Å; P764-I808 HydrophobicContact CB-CD1 4.11Å; P764-I808 HydrophobicContact CG-CD1 4.03Å
765	S	86.6	Confident	87.2	Confident	75 Å²	75	45.1 Å²	45.1	52%	0.524	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-9.8	175.7	54.1	0	0	0	0	115.4	P763 Y769	P763-S765 PolarHBondContact O-N 2.85Å; P763-S765 VanDerWaalsContact O-N 3.12Å; S765-Y769 WeakPolarHBondContact O-CE1 3.46Å; S765-Y769 PolarHBondContact O-OH 3.33Å
766	K	88.9	Confident	87.2	Confident	45 Å²	45	49.3 Å²	49.3	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-107.8	-18.1	172.5	-61.3	-171.3	-176.8	-178.8	0	112.9	D752 D753 V762 P763 P764 S768 Y769 I770 L773	D752-K766 PolarHBondContact O-NZ 3.38Å; D753-K766 VanDerWaalsContact C-NZ 3.31Å; D753-K766 WeakPolarHBondContact O-CD 3.46Å; D753-K766 WeakPolarHBondContact O-CE 3.3Å; D753-K766 PolarHBondContact O-NZ 2.85Å; V762-K766 HydrophobicContact CG1-CB 4.04Å; P763-K766 HydrophobicContact CB-CB 4.43Å; P763-K766 HydrophobicContact CB-CG 4.21Å; P763-K766 HydrophobicContact CG-CD 3.97Å; P763-K766 HydrophobicContact CG-CG 4.21Å; P763-K766 WeakPolarHBondContact O-CA 3.23Å; P763-K766 PolarHBondContact O-N 3.22Å; P764-K766 PolarHBondContact O-N 3.29Å; K766-S768 VanDerWaalsContact C-N 3.28Å; K766-S768 PolarHBondContact O-N 2.94Å; K766-Y769 HydrophobicContact CB-CE2 4.4Å; K766-Y769 PolarHBondContact O-N 2.94Å; K766-I770 PolarHBondContact O-N 2.72Å; K766-L773 HydrophobicContact CB-CD1 4.14Å; K766-L773 HydrophobicContact CD-CD1 4.11Å; K766-L773 HydrophobicContact CG-CD1 4.43Å
767	A	89.8	Confident	87.3	Confident	33 Å²	33	48.6 Å²	48.6	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-27	-170.9	0	0	0	0	0	114.9	V762 P763 P764 Y769 V800	V762-A767 HydrophobicContact CG1-CB 4.31Å; P763-A767 PolarHBondContact O-N 3.01Å; P763-A767 VanDerWaalsContact O-N 3.11Å; P764-A767 PolarHBondContact O-N 3.11Å; A767-Y769 VanDerWaalsContact C-N 3.32Å; A767-Y769 PolarHBondContact O-N 3.31Å; A767-V800 HydrophobicContact CB-CG2 3.84Å
768	S	89.5	Confident	87.4	Confident	108 Å²	108	44.7 Å²	44.7	76%	0.755	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.5	-179.8	53.2	0	0	0	0	115	K766	K766-S768 VanDerWaalsContact C-N 3.28Å; K766-S768 PolarHBondContact O-N 2.94Å
769	Y	89.4	Confident	87.8	Confident	61 Å²	61	43.8 Å²	43.8	24%	0.239	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	27.4	177.6	54.9	-91.9	0	0	0	111.6	S765 K766 A767 D771 D772 L773	S765-Y769 WeakPolarHBondContact O-CE1 3.46Å; S765-Y769 PolarHBondContact O-OH 3.33Å; K766-Y769 HydrophobicContact CB-CE2 4.4Å; K766-Y769 PolarHBondContact O-N 2.94Å; A767-Y769 VanDerWaalsContact C-N 3.32Å; A767-Y769 PolarHBondContact O-N 3.31Å; Y769-D771 PolarHBondContact O-N 2.81Å; Y769-D772 WeakPolarHBondContact O-CB 3.44Å; Y769-D772 PolarHBondContact O-N 3.45Å; Y769-L773 HydrophobicContact CD2-CD1 4.1Å; Y769-L773 HydrophobicContact CD2-CD2 4.17Å; Y769-L773 HydrophobicContact CD2-CG 4.09Å; Y769-L773 HydrophobicContact CE2-CD1 3.94Å; Y769-L773 HydrophobicContact CE2-CD2 4.23Å; Y769-L773 HydrophobicContact CE2-CG 4.32Å
770	I	91.2	Very high	88.8	Confident	21 Å²	21	43.6 Å²	43.6	11%	0.108	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-58	-35.5	-175.6	-175.4	56.7	0	0	0	112.5	F754 V762 K766 D772 L773 V774 L798	F754-I770 HydrophobicContact CB-CD1 3.66Å; F754-I770 HydrophobicContact CD2-CD1 3.94Å; F754-I770 HydrophobicContact CG-CD1 4.13Å; V762-I770 HydrophobicContact CB-CD1 4.48Å; V762-I770 HydrophobicContact CG1-CD1 3.79Å; V762-I770 HydrophobicContact CG1-CG1 4.31Å; V762-I770 HydrophobicContact CG2-CD1 3.77Å; V762-I770 HydrophobicContact CG2-CG1 4.16Å; K766-I770 PolarHBondContact O-N 2.72Å; I770-D772 PolarHBondContact O-N 3.18Å; I770-L773 HydrophobicContact CD1-CD1 4.47Å; I770-L773 WeakPolarHBondContact O-CB 3.41Å; I770-L773 PolarHBondContact O-N 2.86Å; I770-V774 HydrophobicContact CD1-CG1 3.73Å; I770-V774 HydrophobicContact CG1-CG1 4.18Å; I770-V774 WeakPolarHBondContact O-CG2 3.48Å; I770-V774 PolarHBondContact O-N 3.45Å; I770-V774 VanDerWaalsContact O-N 3.1Å; I770-L798 HydrophobicContact CG1-CD1 3.83Å; I770-L798 HydrophobicContact CG1-CD2 4.44Å
771	D	89.6	Confident	89.6	Confident	112 Å²	112	42.4 Å²	42.4	60%	0.599	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-64.5	-24.9	178.7	-59.3	-43	0	0	0	113	R734 Y769 L773	R734-D771 VanDerWaalsContact CZ-O 3.23Å; R734-D771 PolarHBondContact NE-O 2.85Å; R734-D771 PolarHBondContact NH2-O 3.47Å; Y769-D771 PolarHBondContact O-N 2.81Å; D771-L773 PolarHBondContact O-N 2.82Å
772	D	89.4	Confident	89.8	Confident	78 Å²	78	42.6 Å²	42.6	42%	0.417	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-75.9	-11.6	172.8	-62.2	-27	0	0	0	113	R734 Y769 I770	R734-D772 WeakPolarHBondContact CD-O 3.36Å; Y769-D772 WeakPolarHBondContact O-CB 3.44Å; Y769-D772 PolarHBondContact O-N 3.45Å; I770-D772 PolarHBondContact O-N 3.18Å
773	L	90.3	Very high	89.8	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-31.6	-176.6	-51	-177.8	0	0	0	112.5	L190 R734 F754 K766 Y769 I770 D771	L190-L773 HydrophobicContact CD2-CD2 3.6Å; L190-L773 HydrophobicContact CG-CD2 3.94Å; R734-L773 WeakPolarHBondContact CB-O 3.4Å; R734-L773 WeakPolarHBondContact CG-O 3.47Å; R734-L773 PolarHBondContact N-O 2.96Å; F754-L773 HydrophobicContact CB-CB 3.92Å; F754-L773 HydrophobicContact CB-CD1 3.9Å; K766-L773 HydrophobicContact CB-CD1 4.14Å; K766-L773 HydrophobicContact CD-CD1 4.11Å; K766-L773 HydrophobicContact CG-CD1 4.43Å; Y769-L773 HydrophobicContact CD2-CD1 4.1Å; Y769-L773 HydrophobicContact CD2-CD2 4.17Å; Y769-L773 HydrophobicContact CD2-CG 4.09Å; Y769-L773 HydrophobicContact CE2-CD1 3.94Å; Y769-L773 HydrophobicContact CE2-CD2 4.23Å; Y769-L773 HydrophobicContact CE2-CG 4.32Å; I770-L773 HydrophobicContact CD1-CD1 4.47Å; I770-L773 WeakPolarHBondContact O-CB 3.41Å; I770-L773 PolarHBondContact O-N 2.86Å; D771-L773 PolarHBondContact O-N 2.82Å
774	V	92.4	Very high	89.9	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	153.5	-174.6	-55.7	0	0	0	0	113	Y731 I732 R734 F754 I770 L798	Y731-V774 HydrophobicContact CD1-CB 4.17Å; Y731-V774 HydrophobicContact CD1-CG2 3.85Å; Y731-V774 HydrophobicContact CE1-CG2 4.43Å; I732-V774 CarbonylContact O-C 3.51Å; I732-V774 WeakPolarHBondContact O-CA 3.42Å; R734-V774 PolarHBondContact NE-O 3.48Å; F754-V774 HydrophobicContact CB-CG1 4.2Å; F754-V774 HydrophobicContact CD1-CG1 3.78Å; F754-V774 HydrophobicContact CD2-CG1 3.66Å; F754-V774 HydrophobicContact CE1-CG1 3.97Å; F754-V774 HydrophobicContact CE2-CG1 3.85Å; F754-V774 HydrophobicContact CG-CG1 3.62Å; F754-V774 HydrophobicContact CZ-CG1 4Å; I770-V774 HydrophobicContact CD1-CG1 3.73Å; I770-V774 HydrophobicContact CG1-CG1 4.18Å; I770-V774 WeakPolarHBondContact O-CG2 3.48Å; I770-V774 PolarHBondContact O-N 3.45Å; I770-V774 VanDerWaalsContact O-N 3.1Å; V774-L798 HydrophobicContact CG1-CD1 4.45Å; V774-L798 HydrophobicContact CG1-CD2 4.42Å; V774-L798 HydrophobicContact CG2-CD1 4.13Å
775	M	90.9	Very high	90	Very high	55 Å²	55	45.7 Å²	45.7	27%	0.271	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.3	161.1	-171	164.5	-67	0	0	109.4	Y731 I732 R734 L737	Y731-M775 WeakPolarHBondContact CA-O 3.05Å; I732-M775 HydrophobicContact CG2-CB 4.33Å; I732-M775 PolarHBondContact N-O 3.1Å; I732-M775 PolarHBondContact O-N 2.99Å; R734-M775 HydrophobicContact CG-CB 4.26Å; L737-M775 HydrophobicContact CD2-CB 4.12Å; L737-M775 HydrophobicContact CD2-CE 4.25Å; L737-M775 HydrophobicContact CD2-CG 4.19Å; L737-M775 HydrophobicContact CD2-SD 3.35Å; L737-M775 WeakPolarHBondContact CD2-SD 3.5Å
776	M	90.2	Very high	90.3	Very high	100 Å²	100	46.9 Å²	46.9	49%	0.493	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.8	171.8	-63.5	-168.8	-56.1	0	0	109.9	F730 Y731	F730-M776 CarbonylContact O-C 3.45Å; F730-M776 WeakPolarHBondContact O-CA 3.34Å; Y731-M776 HydrophobicContact CD1-CG 3.67Å; Y731-M776 HydrophobicContact CD1-SD 4.49Å; Y731-M776 HydrophobicContact CE1-CG 3.33Å; Y731-M776 HydrophobicContact CE1-SD 3.58Å; Y731-M776 VanDerWaalsContact CE1-SD 3.58Å
777	L	88.9	Confident	90.6	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.5	175.4	-64.5	-178.8	0	0	0	110.8	F730 I732 V781 L785	F730-L777 PolarHBondContact N-O 3.39Å; F730-L777 PolarHBondContact O-N 3.26Å; I732-L777 HydrophobicContact CB-CD1 4.09Å; I732-L777 HydrophobicContact CD1-CD1 4.01Å; I732-L777 HydrophobicContact CG2-CD1 3.67Å; I732-L777 HydrophobicContact CG2-CG 3.91Å; L777-V781 HydrophobicContact CD1-CG1 4.2Å; L777-V781 HydrophobicContact CD2-CG1 4.21Å; L777-L785 HydrophobicContact CD1-CD1 3.8Å
778	P	88.3	Confident	90.8	Very high	43 Å²	43	55.4 Å²	55.4	28%	0.279	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	152.7	163.7	-23.9	35.6	0	0	0	111.9	L720 N780 V781 W782	L720-P778 HydrophobicContact CD2-CG 4.42Å; P778-N780 WeakPolarHBondContact CB-OD1 3.42Å; P778-N780 PolarHBondContact O-N 3.02Å; P778-V781 PolarHBondContact O-N 3.33Å; P778-W782 PolarHBondContact O-N 3.45Å
779	Q	86.6	Confident	91	Very high	63 Å²	63	52.7 Å²	52.7	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-43	-175.2	176	173.6	-6.9	0	0	113	S726 F730 V781 W782 D783	S726-Q779 PolarHBondContact OG-N 3.34Å; F730-Q779 HydrophobicContact CE2-CB 4.23Å; F730-Q779 HydrophobicContact CE2-CG 4.04Å; Q779-V781 PolarHBondContact O-N 2.93Å; Q779-W782 PolarHBondContact O-N 3.4Å; Q779-W782 VanDerWaalsContact O-N 3.15Å; Q779-D783 WeakPolarHBondContact CG-OD2 3.24Å; Q779-D783 PolarHBondContact NE2-OD2 3.02Å; Q779-D783 WeakPolarHBondContact O-CB 3.45Å; Q779-D783 PolarHBondContact O-N 2.84Å
780	N	88.7	Confident	91.1	Very high	37 Å²	37	50.9 Å²	50.9	20%	0.198	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-34	-179.7	65.7	-24.1	0	0	0	112.7	L719 P778 H784	L719-N780 PolarHBondContact O-ND2 3.48Å; P778-N780 WeakPolarHBondContact CB-OD1 3.42Å; P778-N780 PolarHBondContact O-N 3.02Å; N780-H784 WeakPolarHBondContact O-CB 3.33Å; N780-H784 PolarHBondContact O-N 3.22Å
781	V	91.1	Very high	91	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-74.7	-44.6	175.2	178.9	0	0	0	0	110.7	V716 L719 L720 L777 P778 Q779 L785	V716-V781 HydrophobicContact CG1-CG1 4.01Å; L719-V781 HydrophobicContact CB-CG2 3.78Å; L720-V781 HydrophobicContact CD2-CG2 3.85Å; L720-V781 HydrophobicContact CG-CG2 3.88Å; L777-V781 HydrophobicContact CD1-CG1 4.2Å; L777-V781 HydrophobicContact CD2-CG1 4.21Å; P778-V781 PolarHBondContact O-N 3.33Å; Q779-V781 PolarHBondContact O-N 2.93Å; V781-L785 HydrophobicContact CG1-CD1 3.86Å; V781-L785 HydrophobicContact CG1-CG 4.38Å; V781-L785 WeakPolarHBondContact O-CB 3.46Å; V781-L785 VanDerWaalsContact O-CG 3.3Å; V781-L785 WeakPolarHBondContact O-CG 3.5Å; V781-L785 PolarHBondContact O-N 2.83Å
782	W	91.1	Very high	90.4	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-51.9	176.6	172.9	-92.6	0	0	0	112.1	F730 I732 I749 P778 Q779 H784 L785 Y786 A794	F730-W782 HydrophobicContact CB-CB 3.84Å; F730-W782 HydrophobicContact CB-CD2 3.6Å; F730-W782 HydrophobicContact CB-CE3 3.73Å; F730-W782 HydrophobicContact CB-CG 3.6Å; F730-W782 AromaticContact CD1-CD1 3.7Å; F730-W782 AromaticContact CD1-CD2 3.88Å; F730-W782 HydrophobicContact CD1-CD2 3.88Å; F730-W782 AromaticContact CD1-CE2 3.84Å; F730-W782 AromaticContact CD1-CG 3.85Å; F730-W782 HydrophobicContact CD1-CG 3.85Å; F730-W782 AromaticContact CD1-NE1 3.69Å; F730-W782 HydrophobicContact CD2-CB 3.66Å; F730-W782 AromaticContact CD2-CD1 3.64Å; F730-W782 HydrophobicContact CD2-CD2 4.37Å; F730-W782 AromaticContact CD2-CG 3.57Å; F730-W782 HydrophobicContact CD2-CG 3.57Å; F730-W782 AromaticContact CE1-CD1 3.82Å; F730-W782 HydrophobicContact CE1-CG 4.41Å; F730-W782 AromaticContact CE1-NE1 3.76Å; F730-W782 HydrophobicContact CE2-CB 4.42Å; F730-W782 AromaticContact CE2-CD1 3.77Å; F730-W782 HydrophobicContact CE2-CG 4.17Å; F730-W782 HydrophobicContact CG-CB 3.85Å; F730-W782 AromaticContact CG-CD1 3.6Å; F730-W782 AromaticContact CG-CD2 3.7Å; F730-W782 HydrophobicContact CG-CD2 3.7Å; F730-W782 HydrophobicContact CG-CE3 4.34Å; F730-W782 AromaticContact CG-CG 3.39Å; F730-W782 HydrophobicContact CG-CG 3.39Å; F730-W782 AromaticContact CZ-CD1 3.85Å; I732-W782 HydrophobicContact CB-CZ3 4.24Å; I732-W782 HydrophobicContact CD1-CE3 4.35Å; I732-W782 HydrophobicContact CD1-CZ3 3.96Å; I732-W782 HydrophobicContact CG1-CZ3 4.08Å; I749-W782 HydrophobicContact CD1-CH2 4.24Å; I749-W782 HydrophobicContact CD1-CZ3 4.26Å; I749-W782 HydrophobicContact CG2-CH2 4.17Å; I749-W782 HydrophobicContact CG2-CZ3 4.26Å; P778-W782 PolarHBondContact O-N 3.45Å; Q779-W782 PolarHBondContact O-N 3.4Å; Q779-W782 VanDerWaalsContact O-N 3.15Å; W782-H784 VanDerWaalsContact C-N 3.27Å; W782-H784 PolarHBondContact O-N 3.14Å; W782-L785 PolarHBondContact O-N 3.47Å; W782-Y786 HydrophobicContact CH2-CD2 4.25Å; W782-Y786 AromaticContact CZ2-CD2 3.56Å; W782-Y786 HydrophobicContact CZ2-CD2 3.56Å; W782-Y786 HydrophobicContact CZ2-CE2 4.26Å; W782-Y786 HydrophobicContact CZ2-CG 4.1Å; W782-Y786 VanDerWaalsContact O-CB 3.23Å; W782-Y786 WeakPolarHBondContact O-CB 3.32Å; W782-Y786 PolarHBondContact O-N 3.33Å; W782-A794 HydrophobicContact CH2-CB 4.36Å; W782-A794 HydrophobicContact CZ2-CB 3.53Å
783	D	91.4	Very high	90.2	Very high	71 Å²	71	46.6 Å²	46.6	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-37.5	-176.8	-71.9	-17.3	0	0	0	111.2	Q779 S787	Q779-D783 WeakPolarHBondContact CG-OD2 3.24Å; Q779-D783 PolarHBondContact NE2-OD2 3.02Å; Q779-D783 WeakPolarHBondContact O-CB 3.45Å; Q779-D783 PolarHBondContact O-N 2.84Å; D783-S787 WeakPolarHBondContact O-CB 3.48Å; D783-S787 PolarHBondContact O-N 2.95Å
784	H	92.8	Very high	90.1	Very high	37 Å²	37	49 Å²	49	17%	0.171	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-47.8	174.7	178.1	78	0	0	0	112.7	E712 R715 L719 N780 W782 R788	E712-H784 IonicContact OE1-CD2 2.72Å; E712-H784 IonicContact OE1-CE1 3.97Å; E712-H784 PolarHBondContact OE1-CE1 2.82Å; E712-H784 IonicContact OE1-NE2 3.95Å; E712-H784 PolarHBondContact OE1-NE2 3.33Å; E712-H784 IonicContact OE2-NE2 3.5Å; R715-H784 PolarHBondContact NE-CE1 2.84Å; L719-H784 HydrophobicContact CD1-CB 3.83Å; N780-H784 WeakPolarHBondContact O-CB 3.33Å; N780-H784 PolarHBondContact O-N 3.22Å; W782-H784 VanDerWaalsContact C-N 3.27Å; W782-H784 PolarHBondContact O-N 3.14Å; H784-R788 WeakPolarHBondContact O-CB 3.5Å; H784-R788 PolarHBondContact O-N 3.32Å; H784-R788 VanDerWaalsContact O-N 3.15Å
785	L	93.8	Very high	89.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-45.9	176.9	-72.9	173.7	0	0	0	111.5	V716 W736 F740 I749 L777 V781 W782 R788 Y789	V716-L785 HydrophobicContact CG2-CD2 3.8Å; V716-L785 HydrophobicContact CG2-CG 4.36Å; W736-L785 HydrophobicContact CH2-CD2 4.18Å; W736-L785 HydrophobicContact CZ3-CD1 4.31Å; W736-L785 HydrophobicContact CZ3-CD2 4.45Å; F740-L785 HydrophobicContact CD2-CD2 4.17Å; F740-L785 HydrophobicContact CE2-CD2 3.89Å; F740-L785 HydrophobicContact CZ-CD2 4.09Å; I749-L785 HydrophobicContact CD1-CB 4.24Å; L777-L785 HydrophobicContact CD1-CD1 3.8Å; V781-L785 HydrophobicContact CG1-CD1 3.86Å; V781-L785 HydrophobicContact CG1-CG 4.38Å; V781-L785 WeakPolarHBondContact O-CB 3.46Å; V781-L785 VanDerWaalsContact O-CG 3.3Å; V781-L785 WeakPolarHBondContact O-CG 3.5Å; V781-L785 PolarHBondContact O-N 2.83Å; W782-L785 PolarHBondContact O-N 3.47Å; L785-R788 PolarHBondContact O-N 3.02Å; L785-R788 VanDerWaalsContact O-N 3.12Å; L785-Y789 HydrophobicContact CD2-CD2 4.22Å; L785-Y789 HydrophobicContact CD2-CE2 4.07Å; L785-Y789 WeakPolarHBondContact O-CD2 3.26Å; L785-Y789 PolarHBondContact O-N 2.8Å
786	Y	92.9	Very high	89.8	Confident	100 Å²	100	49.6 Å²	49.6	39%	0.392	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-43	179.4	-170.8	-100.7	0	0	0	111.7	I749 W782 R788 G790 G791	I749-Y786 HydrophobicContact CD1-CD2 4.34Å; W782-Y786 HydrophobicContact CH2-CD2 4.25Å; W782-Y786 AromaticContact CZ2-CD2 3.56Å; W782-Y786 HydrophobicContact CZ2-CD2 3.56Å; W782-Y786 HydrophobicContact CZ2-CE2 4.26Å; W782-Y786 HydrophobicContact CZ2-CG 4.1Å; W782-Y786 VanDerWaalsContact O-CB 3.23Å; W782-Y786 WeakPolarHBondContact O-CB 3.32Å; W782-Y786 PolarHBondContact O-N 3.33Å; Y786-R788 PolarHBondContact O-N 3.44Å; Y786-G790 VanDerWaalsContact O-CA 3.3Å; Y786-G790 WeakPolarHBondContact O-CA 3.18Å; Y786-G790 PolarHBondContact O-N 2.99Å; Y786-G791 VanDerWaalsContact CE2-O 3.32Å; Y786-G791 WeakPolarHBondContact CE2-O 3.21Å; Y786-G791 PolarHBondContact OH-O 3.4Å
787	S	94.3	Very high	89.5	Confident	104 Å²	104	50.9 Å²	50.9	73%	0.727	28%	0.283	S	S	*	.	H	α-helix	trans	-66.5	-18.8	174.5	-175.7	0	0	0	0	113.9	D783	D783-S787 WeakPolarHBondContact O-CB 3.48Å; D783-S787 PolarHBondContact O-N 2.95Å
788	R	93.1	Very high	89.6	Confident	152 Å²	152	53 Å²	53	57%	0.574	29%	0.294	S	S	*	.	H	α-helix	trans	-97.2	-40.4	-178.2	-175.4	55.8	169.8	146.2	1.6	113.3	E712 H784 L785 Y786	E712-R788 IonicContact OE2-NE 3.79Å; H784-R788 WeakPolarHBondContact O-CB 3.5Å; H784-R788 PolarHBondContact O-N 3.32Å; H784-R788 VanDerWaalsContact O-N 3.15Å; L785-R788 PolarHBondContact O-N 3.02Å; L785-R788 VanDerWaalsContact O-N 3.12Å; Y786-R788 PolarHBondContact O-N 3.44Å
789	Y	93.7	Very high	89.7	Confident	51 Å²	51	57 Å²	57	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-109.7	-22.1	-173.5	-65.2	-78.5	0	0	0	113.8	E712 W736 F740 P746 P748 L785	E712-Y789 HydrophobicContact CG-CE2 4.45Å; W736-Y789 AromaticContact CH2-CD2 3.87Å; W736-Y789 HydrophobicContact CH2-CD2 3.87Å; W736-Y789 HydrophobicContact CH2-CE2 4.31Å; W736-Y789 HydrophobicContact CH2-CG 4.19Å; W736-Y789 HydrophobicContact CZ2-CD1 4.29Å; W736-Y789 HydrophobicContact CZ2-CD2 4.01Å; W736-Y789 AromaticContact CZ2-CG 3.84Å; W736-Y789 HydrophobicContact CZ2-CG 3.84Å; F740-Y789 AromaticContact CD2-CE2 3.92Å; F740-Y789 HydrophobicContact CD2-CE2 3.92Å; F740-Y789 AromaticContact CD2-CZ 4Å; F740-Y789 AromaticContact CE2-CE2 3.85Å; F740-Y789 HydrophobicContact CE2-CE2 3.85Å; P746-Y789 HydrophobicContact CG-CD1 4.21Å; P746-Y789 HydrophobicContact CG-CE1 3.61Å; P748-Y789 WeakPolarHBondContact CA-O 3.27Å; P748-Y789 WeakPolarHBondContact CB-O 3.34Å; L785-Y789 HydrophobicContact CD2-CD2 4.22Å; L785-Y789 HydrophobicContact CD2-CE2 4.07Å; L785-Y789 WeakPolarHBondContact O-CD2 3.26Å; L785-Y789 PolarHBondContact O-N 2.8Å
790	G	92.9	Very high	90	Very high	23 Å²	23	57.6 Å²	57.6	24%	0.237	31%	0.313	C	S	.	.			trans	60.9	-152.1	-174.5	0	0	0	0	0	112.9	I749 Y786	I749-G790 WeakPolarHBondContact CB-O 3.31Å; I749-G790 WeakPolarHBondContact CG1-O 3.4Å; I749-G790 PolarHBondContact N-O 2.8Å; Y786-G790 VanDerWaalsContact O-CA 3.3Å; Y786-G790 WeakPolarHBondContact O-CA 3.18Å; Y786-G790 PolarHBondContact O-N 2.99Å
791	G	88.3	Confident	90.2	Very high	46 Å²	46	56.1 Å²	56.1	47%	0.474	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.4	-143.2	-174.6	0	0	0	0	0	112.3	I749 Y786	I749-G791 WeakPolarHBondContact O-CA 3.36Å; Y786-G791 VanDerWaalsContact CE2-O 3.32Å; Y786-G791 WeakPolarHBondContact CE2-O 3.21Å; Y786-G791 PolarHBondContact OH-O 3.4Å
792	G	77.3	Confident	90.3	Very high	15 Å²	15	62.5 Å²	62.5	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.9	-158.7	179.4	0	0	0	0	0	113.3	I749	I749-G792 PolarHBondContact O-N 2.8Å
793	P	86.1	Confident	90.3	Very high	61 Å²	61	65.4 Å²	65.4	40%	0.396	35%	0.353	S	S	.	.			cis	-67.3	156.1	-5.1	30.9	-36.4	0	0	0	111.9	N751 L755 A760	N751-P793 PolarHBondContact ND2-O 3.17Å; L755-P793 HydrophobicContact CD1-CG 3.45Å; L755-P793 VanDerWaalsContact CD1-CG 3.45Å; A760-P793 HydrophobicContact CB-CB 4.48Å; A760-P793 HydrophobicContact CB-CG 3.97Å
794	A	87.6	Confident	90.3	Very high	51 Å²	51	62.8 Å²	62.8	42%	0.421	34%	0.34	S	S	.	.			trans	-69.5	134.4	169.4	0	0	0	0	0	110	F730 W782	F730-A794 HydrophobicContact CD1-CB 4.45Å; F730-A794 HydrophobicContact CE1-CB 4.35Å; W782-A794 HydrophobicContact CH2-CB 4.36Å; W782-A794 HydrophobicContact CZ2-CB 3.53Å
795	V	89.1	Confident	90.3	Very high	3 Å²	3	64 Å²	64	2%	0.018	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-123.6	115.8	-178.1	-175.7	0	0	0	0	109.3	F730 Y731 F754 L755 H797 L798	F730-V795 CarbonylContact C-O 3.52Å; F730-V795 VanDerWaalsContact CA-O 3.3Å; F730-V795 WeakPolarHBondContact CA-O 3.49Å; Y731-V795 HydrophobicContact CD2-CG1 4.22Å; Y731-V795 PolarHBondContact N-O 2.81Å; F754-V795 HydrophobicContact CE2-CG1 4.36Å; F754-V795 HydrophobicContact CE2-CG2 4.17Å; F754-V795 HydrophobicContact CZ-CB 4.49Å; F754-V795 HydrophobicContact CZ-CG2 4.09Å; L755-V795 HydrophobicContact CD1-CG2 3.81Å; L755-V795 HydrophobicContact CD2-CG2 4.18Å; L755-V795 HydrophobicContact CG-CG2 4.46Å; V795-H797 WeakPolarHBondContact CG1-O 3.42Å; V795-L798 HydrophobicContact CG1-CD2 3.94Å
796	N	87.2	Confident	90.2	Very high	72 Å²	72	68 Å²	68	39%	0.385	37%	0.366	S	S	.	.	S	Bend	trans	-105.8	-15.4	173.9	62.8	-14.3	0	0	0	113.3	Q729 F730 Y731	Q729-N796 WeakPolarHBondContact O-CA 3.26Å; F730-N796 HydrophobicContact CD1-CB 4.47Å; F730-N796 HydrophobicContact CE1-CB 4.42Å; Y731-N796 WeakPolarHBondContact CE2-O 3.48Å
797	H	85.3	Confident	90.1	Very high	127 Å²	127	67.8 Å²	67.8	59%	0.588	37%	0.369	S	S	*	.	S	Bend	trans	-143.4	137.5	177.3	-61.7	-56.6	0	0	0	110.8	V795	V795-H797 WeakPolarHBondContact CG1-O 3.42Å
798	L	89.6	Confident	89.9	Confident	51 Å²	51	65.5 Å²	65.5	27%	0.267	35%	0.348	S	S	.	.			trans	-96	131.3	174.6	-62.4	170	0	0	0	110.3	Y731 F754 V762 I770 V774 V795	Y731-L798 HydrophobicContact CD1-CD1 3.49Å; Y731-L798 VanDerWaalsContact CD1-CD1 3.49Å; Y731-L798 HydrophobicContact CD1-CD2 4.46Å; Y731-L798 HydrophobicContact CD1-CG 3.95Å; Y731-L798 HydrophobicContact CD2-CD1 4.42Å; Y731-L798 HydrophobicContact CD2-CD2 4.49Å; Y731-L798 HydrophobicContact CD2-CG 4Å; Y731-L798 HydrophobicContact CE1-CD1 3.45Å; Y731-L798 VanDerWaalsContact CE1-CD1 3.45Å; Y731-L798 HydrophobicContact CE1-CG 4.05Å; Y731-L798 HydrophobicContact CE2-CD1 4.4Å; Y731-L798 HydrophobicContact CE2-CG 4.11Å; Y731-L798 HydrophobicContact CG-CD1 4Å; Y731-L798 HydrophobicContact CG-CD2 4.18Å; Y731-L798 HydrophobicContact CG-CG 3.92Å; F754-L798 HydrophobicContact CD2-CD2 4.04Å; F754-L798 HydrophobicContact CE2-CD2 3.71Å; V762-L798 HydrophobicContact CG2-CB 4.44Å; V762-L798 HydrophobicContact CG2-CD2 3.9Å; I770-L798 HydrophobicContact CG1-CD1 3.83Å; I770-L798 HydrophobicContact CG1-CD2 4.44Å; V774-L798 HydrophobicContact CG1-CD1 4.45Å; V774-L798 HydrophobicContact CG1-CD2 4.42Å; V774-L798 HydrophobicContact CG2-CD1 4.13Å; V795-L798 HydrophobicContact CG1-CD2 3.94Å
799	Y	90.8	Very high	89.8	Confident	129 Å²	129	63 Å²	63	51%	0.506	34%	0.343	S	S	.	.			trans	-144.9	150.4	175.2	62	-84.2	0	0	0	110	A760 G761 V762	A760-Y799 WeakPolarHBondContact O-CE1 3.33Å; G761-Y799 CarbonylContact C-O 3.56Å; G761-Y799 WeakPolarHBondContact CA-O 3.47Å; G761-Y799 PolarHBondContact N-OH 3.16Å; V762-Y799 PolarHBondContact N-O 2.89Å
800	V	93.4	Very high	89.7	Confident	75 Å²	75	68.1 Å²	68.1	46%	0.455	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-73.7	131.2	178	-177.5	0	0	0	0	109.8	V762 P764 A767 H802	V762-V800 WeakPolarHBondContact O-CA 3.38Å; P764-V800 HydrophobicContact CB-CG1 4.1Å; P764-V800 HydrophobicContact CG-CG1 3.71Å; A767-V800 HydrophobicContact CB-CG2 3.84Å; V800-H802 PolarHBondContact O-N 3.41Å
801	C	93.5	Very high	89.6	Confident	6 Å²	6	69.5 Å²	69.5	4%	0.041	37%	0.368	C	S	.	.			trans	-71.7	109.9	179.1	-178.3	0	0	0	0	111.5	C756 V762 T803 C804 Q805	C756-C801 PolarHBondContact SG-SG 2.96Å; V762-C801 PolarHBondContact O-N 2.92Å; C801-T803 VanDerWaalsContact C-N 3.3Å; C801-T803 PolarHBondContact O-N 3.13Å; C801-C804 HydrophobicContact CB-CB 4.16Å; C801-C804 PolarHBondContact O-N 2.75Å; C801-Q805 PolarHBondContact O-N 3.09Å; C801-Q805 VanDerWaalsContact O-N 3.07Å
802	H	91.6	Very high	89.8	Confident	134 Å²	134	72.6 Å²	72.6	62%	0.62	37%	0.37	S	S	*	.	H	α-helix	trans	-64.7	-31.4	179.5	-169.8	47.4	0	0	0	113.1	V800 Q805 I806	V800-H802 PolarHBondContact O-N 3.41Å; H802-Q805 WeakPolarHBondContact O-CB 3.33Å; H802-Q805 PolarHBondContact O-N 2.98Å; H802-I806 WeakPolarHBondContact O-CG1 3.4Å; H802-I806 PolarHBondContact O-N 3.5Å
803	T	92.1	Very high	90.5	Very high	66 Å²	66	79.2 Å²	79.2	41%	0.405	39%	0.394	S	S	.	.	H	α-helix	trans	-61	-49.7	174	-47.7	0	0	0	0	110.9	H758 C801 Q805 I806 E807	H758-T803 HydrophobicContact CB-CG2 4.14Å; C801-T803 VanDerWaalsContact C-N 3.3Å; C801-T803 PolarHBondContact O-N 3.13Å; T803-Q805 VanDerWaalsContact C-N 3.29Å; T803-Q805 PolarHBondContact O-N 2.98Å; T803-I806 PolarHBondContact O-N 3.03Å; T803-E807 WeakPolarHBondContact O-CG 3.08Å; T803-E807 PolarHBondContact O-N 3.44Å
804	C	91.3	Very high	90.9	Very high	16 Å²	16	80.4 Å²	80.4	11%	0.108	39%	0.391	C	S	.	.	H	α-helix	trans	-62.9	-35.4	176	-67.9	0	0	0	0	112.3	H758 P764 C801 E807 I808	H758-C804 PolarHBondContact ND1-SG 3.23Å; P764-C804 HydrophobicContact CG-CB 4.29Å; C801-C804 HydrophobicContact CB-CB 4.16Å; C801-C804 PolarHBondContact O-N 2.75Å; C804-E807 PolarHBondContact O-N 2.96Å; C804-I808 WeakPolarHBondContact O-CB 3.39Å; C804-I808 WeakPolarHBondContact O-CD1 3.36Å; C804-I808 VanDerWaalsContact O-CG1 3.25Å; C804-I808 WeakPolarHBondContact O-CG1 3.38Å; C804-I808 PolarHBondContact O-N 3.47Å
805	Q	92	Very high	91.1	Very high	61 Å²	61	79.3 Å²	79.3	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-49.7	174.5	-175.4	63.5	30.2	0	0	111.4	P764 C801 H802 T803 E807 I808 E809	P764-Q805 VanDerWaalsContact CB-OE1 3.25Å; P764-Q805 HydrophobicContact CG-CB 3.96Å; C801-Q805 PolarHBondContact O-N 3.09Å; C801-Q805 VanDerWaalsContact O-N 3.07Å; H802-Q805 WeakPolarHBondContact O-CB 3.33Å; H802-Q805 PolarHBondContact O-N 2.98Å; T803-Q805 VanDerWaalsContact C-N 3.29Å; T803-Q805 PolarHBondContact O-N 2.98Å; Q805-E807 VanDerWaalsContact C-N 3.29Å; Q805-E807 PolarHBondContact O-N 2.93Å; Q805-I808 PolarHBondContact O-N 3.08Å; Q805-E809 WeakPolarHBondContact CG-OE1 3.34Å; Q805-E809 PolarHBondContact NE2-OE1 3.15Å; Q805-E809 WeakPolarHBondContact O-CG 3.4Å; Q805-E809 PolarHBondContact O-N 3.35Å
806	I	92.4	Very high	91.4	Very high	84 Å²	84	85.4 Å²	85.4	43%	0.431	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-39	177.5	-67.4	164	0	0	0	111.2	H802 T803 K810	H802-I806 WeakPolarHBondContact O-CG1 3.4Å; H802-I806 PolarHBondContact O-N 3.5Å; T803-I806 PolarHBondContact O-N 3.03Å; I806-K810 WeakPolarHBondContact O-CB 3.34Å; I806-K810 PolarHBondContact O-N 3.26Å
807	E	90.4	Very high	91.7	Very high	96 Å²	96	85.1 Å²	85.1	45%	0.449	41%	0.406	S	S	.	.	H	α-helix	trans	-69.1	-41.2	179	-72.2	-178.8	145.7	0	0	113	H758 T803 C804 Q805 K810 L811	H758-E807 IonicContact CE1-OE1 2.77Å; H758-E807 IonicContact CE1-OE2 3.83Å; H758-E807 PolarHBondContact CE1-OE2 3.42Å; H758-E807 IonicContact ND1-OE2 3.05Å; H758-E807 IonicContact NE2-OE2 3.91Å; T803-E807 WeakPolarHBondContact O-CG 3.08Å; T803-E807 PolarHBondContact O-N 3.44Å; C804-E807 PolarHBondContact O-N 2.96Å; Q805-E807 VanDerWaalsContact C-N 3.29Å; Q805-E807 PolarHBondContact O-N 2.93Å; E807-K810 PolarHBondContact O-N 2.97Å; E807-L811 WeakPolarHBondContact O-CB 3.31Å; E807-L811 PolarHBondContact O-N 3.06Å
808	I	89.7	Confident	92.1	Very high	56 Å²	56	79.4 Å²	79.4	29%	0.287	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-51.5	174.6	-69.7	164.4	0	0	0	109.9	P764 C804 Q805 K810 L811 E812	P764-I808 HydrophobicContact CB-CD1 4.11Å; P764-I808 HydrophobicContact CG-CD1 4.03Å; C804-I808 WeakPolarHBondContact O-CB 3.39Å; C804-I808 WeakPolarHBondContact O-CD1 3.36Å; C804-I808 VanDerWaalsContact O-CG1 3.25Å; C804-I808 WeakPolarHBondContact O-CG1 3.38Å; C804-I808 PolarHBondContact O-N 3.47Å; Q805-I808 PolarHBondContact O-N 3.08Å; I808-K810 VanDerWaalsContact C-N 3.28Å; I808-K810 PolarHBondContact O-N 3.25Å; I808-L811 PolarHBondContact O-N 3.01Å; I808-E812 HydrophobicContact CG2-CG 4.39Å; I808-E812 WeakPolarHBondContact O-CG 3.4Å; I808-E812 PolarHBondContact O-N 2.86Å
809	E	92.1	Very high	92.3	Very high	101 Å²	101	79.2 Å²	79.2	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-58.2	-39.3	177.8	-72.6	173.5	-165.2	0	0	112.3	Q805 K813	Q805-E809 WeakPolarHBondContact CG-OE1 3.34Å; Q805-E809 PolarHBondContact NE2-OE1 3.15Å; Q805-E809 WeakPolarHBondContact O-CG 3.4Å; Q805-E809 PolarHBondContact O-N 3.35Å; E809-K813 WeakPolarHBondContact O-CB 3.46Å; E809-K813 PolarHBondContact O-N 3.05Å
810	K	92.1	Very high	92.4	Very high	158 Å²	158	76.8 Å²	76.8	69%	0.687	37%	0.374	S	S	*	.	H	α-helix	trans	-67.4	-37.4	175.7	-177.5	-177.1	177.8	-172	0	112.1	I806 E807 I808 R814	I806-K810 WeakPolarHBondContact O-CB 3.34Å; I806-K810 PolarHBondContact O-N 3.26Å; E807-K810 PolarHBondContact O-N 2.97Å; I808-K810 VanDerWaalsContact C-N 3.28Å; I808-K810 PolarHBondContact O-N 3.25Å; K810-R814 WeakPolarHBondContact O-CB 3.46Å; K810-R814 PolarHBondContact O-N 3.02Å
811	L	90.3	Very high	92.4	Very high	52 Å²	52	75.8 Å²	75.8	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-72.1	-43.7	177.8	-172.2	63.7	0	0	0	111.7	E807 I808 R814 R815 F852	E807-L811 WeakPolarHBondContact O-CB 3.31Å; E807-L811 PolarHBondContact O-N 3.06Å; I808-L811 PolarHBondContact O-N 3.01Å; L811-R814 WeakPolarHBondContact O-CB 3.35Å; L811-R814 PolarHBondContact O-N 2.86Å; L811-R815 WeakPolarHBondContact O-CG 3.29Å; L811-R815 PolarHBondContact O-N 3.42Å; L811-F852 HydrophobicContact CD1-CE2 3.89Å; L811-F852 HydrophobicContact CD1-CZ 3.87Å
812	E	91	Very high	92.4	Very high	110 Å²	110	75.7 Å²	75.7	51%	0.514	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-45.9	173.4	-71	178.9	172.5	0	0	111.4	I808 R814 R815 K816	I808-E812 HydrophobicContact CG2-CG 4.39Å; I808-E812 WeakPolarHBondContact O-CG 3.4Å; I808-E812 PolarHBondContact O-N 2.86Å; E812-R814 VanDerWaalsContact C-N 3.27Å; E812-R814 PolarHBondContact O-N 3.16Å; E812-R815 PolarHBondContact O-N 3.08Å; E812-K816 WeakPolarHBondContact O-CB 3.39Å; E812-K816 PolarHBondContact O-N 2.92Å
813	K	93.7	Very high	92.3	Very high	155 Å²	155	73.3 Å²	73.3	67%	0.674	36%	0.36	S	S	*	.	H	α-helix	trans	-59.4	-37.7	173.7	-175.7	173.6	-178.8	175.7	0	111.9	E809 S817	E809-K813 WeakPolarHBondContact O-CB 3.46Å; E809-K813 PolarHBondContact O-N 3.05Å; K813-S817 VanDerWaalsContact O-CB 3.25Å; K813-S817 WeakPolarHBondContact O-CB 3.46Å; K813-S817 PolarHBondContact O-N 3.09Å; K813-S817 PolarHBondContact O-OG 3.2Å
814	R	93.2	Very high	92.4	Very high	86 Å²	86	77.7 Å²	77.7	33%	0.325	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-57.2	173.3	179	-176.4	170.7	-169.6	-6.8	111.1	K810 L811 E812 K816 S817 E818 Y900	K810-R814 WeakPolarHBondContact O-CB 3.46Å; K810-R814 PolarHBondContact O-N 3.02Å; L811-R814 WeakPolarHBondContact O-CB 3.35Å; L811-R814 PolarHBondContact O-N 2.86Å; E812-R814 VanDerWaalsContact C-N 3.27Å; E812-R814 PolarHBondContact O-N 3.16Å; R814-K816 VanDerWaalsContact C-N 3.29Å; R814-K816 PolarHBondContact O-N 3.46Å; R814-S817 PolarHBondContact O-N 2.85Å; R814-E818 IonicContact CZ-OE1 2.9Å; R814-E818 VanDerWaalsContact CZ-OE1 3.24Å; R814-E818 IonicContact NE-OE1 2.73Å; R814-E818 PolarHBondContact NE-OE1 3.08Å; R814-E818 IonicContact NH2-OE1 2.72Å; R814-E818 PolarHBondContact NH2-OE1 3.28Å; R814-E818 PolarHBondContact O-N 3.37Å; R814-Y900 VanDerWaalsContact NH2-CZ 3.33Å; R814-Y900 PolarHBondContact NH2-OH 3.16Å
815	R	93.3	Very high	92.3	Very high	28 Å²	28	78.5 Å²	78.5	11%	0.106	37%	0.372	C	S	.	.	H	α-helix	trans	-49.9	-50	178.8	-74.2	173.5	167.2	148.2	-8.1	111.3	L811 E812 E818 L819 F852 D857 N858	L811-R815 WeakPolarHBondContact O-CG 3.29Å; L811-R815 PolarHBondContact O-N 3.42Å; E812-R815 PolarHBondContact O-N 3.08Å; R815-E818 PolarHBondContact O-N 3.05Å; R815-L819 WeakPolarHBondContact O-CB 3.39Å; R815-L819 PolarHBondContact O-N 3.16Å; R815-F852 VanDerWaalsContact CD-O 3.32Å; R815-F852 WeakPolarHBondContact CD-O 3.44Å; R815-F852 HydrophobicContact CG-CE1 4.13Å; R815-F852 HydrophobicContact CG-CE2 4.23Å; R815-F852 HydrophobicContact CG-CZ 3.95Å; R815-F852 WeakPolarHBondContact CG-O 3.43Å; R815-F852 PolarHBondContact NE-O 2.87Å; R815-D857 PolarHBondContact NH2-O 3.39Å; R815-N858 PolarHBondContact NH2-OD1 3.16Å
816	K	93.7	Very high	92.1	Very high	131 Å²	131	77 Å²	77	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-63.1	-44.6	177	-179.2	166.9	-177.8	170.2	0	112.7	E812 R814 E818 L819 D820	E812-K816 WeakPolarHBondContact O-CB 3.39Å; E812-K816 PolarHBondContact O-N 2.92Å; R814-K816 VanDerWaalsContact C-N 3.29Å; R814-K816 PolarHBondContact O-N 3.46Å; K816-E818 VanDerWaalsContact C-N 3.29Å; K816-E818 PolarHBondContact O-N 2.9Å; K816-L819 PolarHBondContact O-N 2.75Å; K816-D820 WeakPolarHBondContact CE-OD2 3.36Å; K816-D820 WeakPolarHBondContact CG-OD2 3.35Å; K816-D820 VanDerWaalsContact O-CB 3.25Å; K816-D820 WeakPolarHBondContact O-CB 3.35Å; K816-D820 VanDerWaalsContact O-CG 3.28Å; K816-D820 PolarHBondContact O-N 2.63Å
817	S	93.4	Very high	91.9	Very high	66 Å²	66	78.6 Å²	78.6	46%	0.462	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-34.4	179.3	-58.8	0	0	0	0	112.5	K813 R814 L821	K813-S817 VanDerWaalsContact O-CB 3.25Å; K813-S817 WeakPolarHBondContact O-CB 3.46Å; K813-S817 PolarHBondContact O-N 3.09Å; K813-S817 PolarHBondContact O-OG 3.2Å; R814-S817 PolarHBondContact O-N 2.85Å; S817-L821 WeakPolarHBondContact O-CB 3.22Å; S817-L821 PolarHBondContact O-N 3.04Å
818	E	94.1	Very high	91.8	Very high	7 Å²	7	76.6 Å²	76.6	3%	0.033	37%	0.37	C	S	.	.	H	α-helix	trans	-70.1	-44.7	174.1	-71.4	-172.7	-146.4	0	0	111.8	R814 R815 K816 L821 F822 W849 V853 F895 I899 Y900	R814-E818 IonicContact CZ-OE1 2.9Å; R814-E818 VanDerWaalsContact CZ-OE1 3.24Å; R814-E818 IonicContact NE-OE1 2.73Å; R814-E818 PolarHBondContact NE-OE1 3.08Å; R814-E818 IonicContact NH2-OE1 2.72Å; R814-E818 PolarHBondContact NH2-OE1 3.28Å; R814-E818 PolarHBondContact O-N 3.37Å; R815-E818 PolarHBondContact O-N 3.05Å; K816-E818 VanDerWaalsContact C-N 3.29Å; K816-E818 PolarHBondContact O-N 2.9Å; E818-L821 PolarHBondContact O-N 3.47Å; E818-F822 WeakPolarHBondContact O-CB 3.46Å; E818-F822 PolarHBondContact O-N 2.82Å; E818-W849 HydrophobicContact CB-CZ2 4.42Å; E818-W849 PolarHBondContact OE2-NE1 3.24Å; E818-V853 HydrophobicContact CB-CG1 4.05Å; E818-F895 HydrophobicContact CB-CZ 4.04Å; E818-F895 HydrophobicContact CG-CZ 4.07Å; E818-I899 HydrophobicContact CG-CD1 4Å; E818-Y900 VanDerWaalsContact CD-OH 3.27Å; E818-Y900 PolarHBondContact OE1-OH 3.14Å; E818-Y900 WeakPolarHBondContact OE2-CE2 3.2Å; E818-Y900 PolarHBondContact OE2-OH 3.06Å
819	L	93.3	Very high	91.6	Very high	47 Å²	47	74.9 Å²	74.9	25%	0.246	36%	0.36	C	S	.	.	H	α-helix	trans	-67	-47.6	178.8	-175.4	61.3	0	0	0	112.5	R815 K816 L821 F822 V823 V853	R815-L819 WeakPolarHBondContact O-CB 3.39Å; R815-L819 PolarHBondContact O-N 3.16Å; K816-L819 PolarHBondContact O-N 2.75Å; L819-L821 PolarHBondContact O-N 2.8Å; L819-F822 PolarHBondContact O-N 2.85Å; L819-V823 HydrophobicContact CD1-CG2 4.03Å; L819-V823 HydrophobicContact CG-CG2 4.37Å; L819-V823 WeakPolarHBondContact O-CB 3.34Å; L819-V823 WeakPolarHBondContact O-CG2 3.43Å; L819-V823 PolarHBondContact O-N 2.82Å; L819-V853 HydrophobicContact CB-CB 4.35Å; L819-V853 HydrophobicContact CB-CG2 4.44Å; L819-V853 HydrophobicContact CD1-CG2 4.11Å
820	D	93.5	Very high	91.1	Very high	77 Å²	77	75.6 Å²	75.6	41%	0.412	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-26.5	178.4	-75.6	-7.4	0	0	0	112.3	K816 R824	K816-D820 WeakPolarHBondContact CE-OD2 3.36Å; K816-D820 WeakPolarHBondContact CG-OD2 3.35Å; K816-D820 VanDerWaalsContact O-CB 3.25Å; K816-D820 WeakPolarHBondContact O-CB 3.35Å; K816-D820 VanDerWaalsContact O-CG 3.28Å; K816-D820 PolarHBondContact O-N 2.63Å; D820-R824 WeakPolarHBondContact O-CB 3.48Å; D820-R824 PolarHBondContact O-NH2 3.02Å
821	L	93.1	Very high	90.7	Very high	54 Å²	54	74.4 Å²	74.4	28%	0.283	36%	0.36	S	S	.	.	H	α-helix	trans	-86.4	-44.3	175.2	-175.4	53.3	0	0	0	111.7	S817 E818 L819 V823 R824 L825 F895	S817-L821 WeakPolarHBondContact O-CB 3.22Å; S817-L821 PolarHBondContact O-N 3.04Å; E818-L821 PolarHBondContact O-N 3.47Å; L819-L821 PolarHBondContact O-N 2.8Å; L821-V823 PolarHBondContact O-N 2.95Å; L821-R824 WeakPolarHBondContact O-CB 3.37Å; L821-R824 PolarHBondContact O-N 2.78Å; L821-L825 HydrophobicContact CD1-CD1 4.18Å; L821-L825 HydrophobicContact CD1-CD2 4.46Å; L821-L825 HydrophobicContact CD1-CG 4.06Å; L821-L825 HydrophobicContact CG-CD1 4.11Å; L821-L825 HydrophobicContact CG-CG 4.42Å; L821-L825 WeakPolarHBondContact O-CG 3.43Å; L821-L825 PolarHBondContact O-N 3.13Å; L821-F895 HydrophobicContact CB-CE2 4.49Å; L821-F895 HydrophobicContact CB-CZ 4.43Å; L821-F895 HydrophobicContact CD2-CD2 3.6Å; L821-F895 HydrophobicContact CD2-CE2 3.63Å; L821-F895 HydrophobicContact CD2-CG 4.28Å; L821-F895 HydrophobicContact CD2-CZ 4.34Å; L821-F895 HydrophobicContact CG-CD2 4.27Å; L821-F895 HydrophobicContact CG-CE2 4.25Å
822	F	93.4	Very high	90.3	Very high	4 Å²	4	76.2 Å²	76.2	2%	0.018	37%	0.367	C	S	.	.	H	α-helix	trans	-57.1	-48.8	174.1	174.5	-95	0	0	0	111.9	E818 L819 R824 L825 N826 F846 W849 T892 F895	E818-F822 WeakPolarHBondContact O-CB 3.46Å; E818-F822 PolarHBondContact O-N 2.82Å; L819-F822 PolarHBondContact O-N 2.85Å; F822-R824 PolarHBondContact O-N 3.21Å; F822-L825 PolarHBondContact O-N 3.43Å; F822-N826 HydrophobicContact CE1-CB 4.26Å; F822-N826 HydrophobicContact CZ-CB 4.25Å; F822-N826 VanDerWaalsContact O-CB 3.29Å; F822-N826 WeakPolarHBondContact O-CB 3.4Å; F822-N826 PolarHBondContact O-N 2.75Å; F822-F846 HydrophobicContact CE1-CE2 4.44Å; F822-F846 HydrophobicContact CE1-CZ 4.09Å; F822-F846 AromaticContact CE2-CE2 3.74Å; F822-F846 HydrophobicContact CE2-CE2 3.74Å; F822-F846 HydrophobicContact CE2-CZ 4.18Å; F822-F846 AromaticContact CZ-CE2 3.66Å; F822-F846 HydrophobicContact CZ-CE2 3.66Å; F822-F846 AromaticContact CZ-CZ 3.6Å; F822-F846 HydrophobicContact CZ-CZ 3.6Å; F822-W849 HydrophobicContact CB-CH2 3.54Å; F822-W849 HydrophobicContact CB-CZ2 4.01Å; F822-W849 AromaticContact CD1-CH2 3.76Å; F822-W849 HydrophobicContact CD1-CH2 3.76Å; F822-W849 HydrophobicContact CD1-CZ3 4.09Å; F822-W849 AromaticContact CD2-CH2 3.88Å; F822-W849 HydrophobicContact CD2-CH2 3.88Å; F822-W849 HydrophobicContact CD2-CZ3 4.2Å; F822-W849 HydrophobicContact CE1-CH2 4.49Å; F822-W849 HydrophobicContact CE1-CZ3 4.38Å; F822-W849 HydrophobicContact CE2-CZ3 4.48Å; F822-W849 AromaticContact CG-CH2 3.42Å; F822-W849 HydrophobicContact CG-CH2 3.42Å; F822-W849 VanDerWaalsContact CG-CH2 3.42Å; F822-W849 HydrophobicContact CG-CZ2 4.28Å; F822-W849 HydrophobicContact CG-CZ3 4.01Å; F822-T892 HydrophobicContact CD2-CG2 3.73Å; F822-T892 HydrophobicContact CE2-CG2 3.7Å; F822-F895 HydrophobicContact CB-CE1 4.34Å
823	V	91.2	Very high	89.2	Confident	85 Å²	85	80.5 Å²	80.5	52%	0.515	39%	0.387	S	S	.	.	H	α-helix	trans	-59.5	-35.8	178.6	170.8	0	0	0	0	111.2	L819 L821 K827	L819-V823 HydrophobicContact CD1-CG2 4.03Å; L819-V823 HydrophobicContact CG-CG2 4.37Å; L819-V823 WeakPolarHBondContact O-CB 3.34Å; L819-V823 WeakPolarHBondContact O-CG2 3.43Å; L819-V823 PolarHBondContact O-N 2.82Å; L821-V823 PolarHBondContact O-N 2.95Å; V823-K827 WeakPolarHBondContact O-CB 3.2Å; V823-K827 PolarHBondContact O-N 2.79Å
824	R	92.5	Very high	88.1	Confident	157 Å²	157	77.7 Å²	77.7	59%	0.592	39%	0.387	S	S	*	.	H	α-helix	trans	-70.4	-44.6	176.9	-170.5	-174.2	-50.1	147.2	16.3	112.7	D820 L821 F822 K827 A828	D820-R824 WeakPolarHBondContact O-CB 3.48Å; D820-R824 PolarHBondContact O-NH2 3.02Å; L821-R824 WeakPolarHBondContact O-CB 3.37Å; L821-R824 PolarHBondContact O-N 2.78Å; F822-R824 PolarHBondContact O-N 3.21Å; R824-K827 PolarHBondContact O-N 2.88Å; R824-A828 PolarHBondContact O-N 2.72Å
825	L	90.6	Very high	87.2	Confident	33 Å²	33	74.8 Å²	74.8	17%	0.173	38%	0.379	C	S	.	.	H	α-helix	trans	-69.5	-44.7	179.5	-65.1	176.2	0	0	0	111.2	L821 F822 K827 A828 F829 E891 T892 F895	L821-L825 HydrophobicContact CD1-CD1 4.18Å; L821-L825 HydrophobicContact CD1-CD2 4.46Å; L821-L825 HydrophobicContact CD1-CG 4.06Å; L821-L825 HydrophobicContact CG-CD1 4.11Å; L821-L825 HydrophobicContact CG-CG 4.42Å; L821-L825 WeakPolarHBondContact O-CG 3.43Å; L821-L825 PolarHBondContact O-N 3.13Å; F822-L825 PolarHBondContact O-N 3.43Å; L825-K827 VanDerWaalsContact C-N 3.32Å; L825-K827 PolarHBondContact O-N 3.23Å; L825-A828 PolarHBondContact O-N 3.18Å; L825-A828 VanDerWaalsContact O-N 3.16Å; L825-F829 PolarHBondContact O-N 2.81Å; L825-E891 HydrophobicContact CD1-CB 4.29Å; L825-E891 HydrophobicContact CD2-CB 3.87Å; L825-T892 WeakPolarHBondContact CB-OG1 3.32Å; L825-F895 HydrophobicContact CD1-CB 3.91Å; L825-F895 HydrophobicContact CD1-CD1 4.26Å; L825-F895 HydrophobicContact CD1-CG 4.19Å
826	N	88.1	Confident	86.1	Confident	29 Å²	29	79 Å²	79	16%	0.155	41%	0.408	C	S	.	.	H	α-helix	trans	-60.6	-41.3	174	-173.1	61.1	0	0	0	111.4	F822 F829 Q830	F822-N826 HydrophobicContact CE1-CB 4.26Å; F822-N826 HydrophobicContact CZ-CB 4.25Å; F822-N826 VanDerWaalsContact O-CB 3.29Å; F822-N826 WeakPolarHBondContact O-CB 3.4Å; F822-N826 PolarHBondContact O-N 2.75Å; N826-F829 PolarHBondContact O-N 3.35Å; N826-Q830 VanDerWaalsContact O-CG 3.27Å; N826-Q830 WeakPolarHBondContact O-CG 3.11Å; N826-Q830 PolarHBondContact O-N 2.8Å
827	K	87.6	Confident	85.4	Confident	118 Å²	118	74.6 Å²	74.6	51%	0.513	39%	0.392	S	S	.	.	H	α-helix	trans	-61.4	-45.5	173.3	178.6	176.1	175.3	-166.4	0	111.9	V823 R824 L825 F829 Q830 E831	V823-K827 WeakPolarHBondContact O-CB 3.2Å; V823-K827 PolarHBondContact O-N 2.79Å; R824-K827 PolarHBondContact O-N 2.88Å; L825-K827 VanDerWaalsContact C-N 3.32Å; L825-K827 PolarHBondContact O-N 3.23Å; K827-F829 VanDerWaalsContact C-N 3.29Å; K827-F829 PolarHBondContact O-N 3.08Å; K827-Q830 PolarHBondContact O-N 3.24Å; K827-E831 WeakPolarHBondContact CE-OE1 3.38Å; K827-E831 IonicContact NZ-OE1 3.49Å; K827-E831 PolarHBondContact NZ-OE1 2.78Å; K827-E831 IonicContact NZ-OE2 3.12Å; K827-E831 PolarHBondContact O-N 2.94Å; K827-E831 VanDerWaalsContact O-N 3.1Å
828	A	87.7	Confident	85.1	Confident	55 Å²	55	72.1 Å²	72.1	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-37.2	179.8	0	0	0	0	0	112.2	R824 L825 E831 E832	R824-A828 PolarHBondContact O-N 2.72Å; L825-A828 PolarHBondContact O-N 3.18Å; L825-A828 VanDerWaalsContact O-N 3.16Å; A828-E831 CarbonylContact O-C 3.59Å; A828-E831 PolarHBondContact O-N 3.2Å; A828-E831 VanDerWaalsContact O-N 3.16Å; A828-E832 PolarHBondContact O-N 2.98Å
829	F	85.8	Confident	84.9	Confident	20 Å²	20	73 Å²	73	9%	0.088	38%	0.377	C	S	.	.	H	α-helix	trans	-64.9	-38.1	173.6	-177.8	-117.5	0	0	0	112.8	L825 N826 K827 E831 E832 P835 I838 S889	L825-F829 PolarHBondContact O-N 2.81Å; N826-F829 PolarHBondContact O-N 3.35Å; K827-F829 VanDerWaalsContact C-N 3.29Å; K827-F829 PolarHBondContact O-N 3.08Å; F829-E831 PolarHBondContact O-N 2.75Å; F829-E832 WeakPolarHBondContact O-CB 3.05Å; F829-E832 PolarHBondContact O-N 3.31Å; F829-P835 HydrophobicContact CD2-CB 4.34Å; F829-P835 HydrophobicContact CE2-CB 3.65Å; F829-P835 HydrophobicContact CE2-CG 3.77Å; F829-P835 HydrophobicContact CZ-CG 4.25Å; F829-I838 HydrophobicContact CZ-CG1 4.34Å; F829-I838 HydrophobicContact CZ-CG2 4.16Å; F829-S889 VanDerWaalsContact CD2-CB 3.42Å
830	Q	80.8	Confident	84.7	Confident	116 Å²	116	70.8 Å²	70.8	54%	0.542	37%	0.365	S	S	.	.	H	α-helix	trans	-72.2	-14	173.1	-64.2	-70.5	-25.9	0	0	113.3	N826 K827	N826-Q830 VanDerWaalsContact O-CG 3.27Å; N826-Q830 WeakPolarHBondContact O-CG 3.11Å; N826-Q830 PolarHBondContact O-N 2.8Å; K827-Q830 PolarHBondContact O-N 3.24Å
831	E	84	Confident	84.7	Confident	132 Å²	132	67.1 Å²	67.1	62%	0.617	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	1.5	171.5	-70	178	156.6	0	0	112.2	K827 A828 F829	K827-E831 WeakPolarHBondContact CE-OE1 3.38Å; K827-E831 IonicContact NZ-OE1 3.49Å; K827-E831 PolarHBondContact NZ-OE1 2.78Å; K827-E831 IonicContact NZ-OE2 3.12Å; K827-E831 PolarHBondContact O-N 2.94Å; K827-E831 VanDerWaalsContact O-N 3.1Å; A828-E831 CarbonylContact O-C 3.59Å; A828-E831 PolarHBondContact O-N 3.2Å; A828-E831 VanDerWaalsContact O-N 3.16Å; F829-E831 PolarHBondContact O-N 2.75Å
832	E	81.9	Confident	84.7	Confident	91 Å²	91	65 Å²	65	43%	0.425	34%	0.335	S	S	.	.			trans	-94.3	110.2	179.7	-172	178.5	-170.9	0	0	112	A828 F829 S834	A828-E832 PolarHBondContact O-N 2.98Å; F829-E832 WeakPolarHBondContact O-CB 3.05Å; F829-E832 PolarHBondContact O-N 3.31Å; E832-S834 PolarHBondContact O-N 3.37Å; E832-S834 VanDerWaalsContact O-N 3.1Å
833	E	67.7	Low	84.6	Confident	200 Å²	200	64.8 Å²	64.8	94%	0.935	33%	0.334	S	S	*	.	S	Bend	trans	-65	-15.9	-173.7	-62.3	-174.3	149.6	0	0	115.3
834	S	72.4	Confident	84.6	Confident	96 Å²	96	65.4 Å²	65.4	67%	0.671	33%	0.331	S	S	*	.			trans	-164.1	75.8	179.8	46.4	0	0	0	0	114.8	E832 V836	E832-S834 PolarHBondContact O-N 3.37Å; E832-S834 VanDerWaalsContact O-N 3.1Å; S834-V836 PolarHBondContact O-N 2.92Å
835	P	73.3	Confident	84.6	Confident	24 Å²	24	58.3 Å²	58.3	16%	0.156	31%	0.305	C	S	.	.			trans	-62.6	127.9	177.7	24.8	-34.4	0	0	0	112.7	F829 I838 P910	F829-P835 HydrophobicContact CD2-CB 4.34Å; F829-P835 HydrophobicContact CE2-CB 3.65Å; F829-P835 HydrophobicContact CE2-CG 3.77Å; F829-P835 HydrophobicContact CZ-CG 4.25Å; P835-I838 HydrophobicContact CB-CG1 4.45Å; P835-I838 HydrophobicContact CG-CD1 4.43Å; P835-I838 HydrophobicContact CG-CG1 4.3Å; P835-P910 WeakPolarHBondContact O-CG 3.22Å
836	V	70.2	Confident	84.7	Confident	117 Å²	117	56.7 Å²	56.7	71%	0.709	30%	0.296	S	S	*	.	S	Bend	trans	-76.1	-29.9	-171.9	-177	0	0	0	0	113.2	S834	S834-V836 PolarHBondContact O-N 2.92Å
837	V	79.2	Confident	84.9	Confident	38 Å²	38	59.4 Å²	59.4	23%	0.23	30%	0.304	C	S	.	.	S	Bend	trans	-141.4	128.8	177	-176.6	0	0	0	0	108.3	Y839 T907 R909	V837-Y839 HydrophobicContact CB-CE2 4.22Å; V837-Y839 HydrophobicContact CG1-CD2 4.23Å; V837-Y839 HydrophobicContact CG1-CE2 3.74Å; V837-T907 HydrophobicContact CG1-CG2 3.91Å; V837-R909 HydrophobicContact CG2-CG 4.46Å
838	I	86	Confident	85	Confident	15 Å²	15	57.8 Å²	57.8	8%	0.077	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.8	177.8	-55.1	173.4	0	0	0	108.4	F829 P835 Q887 T907 V908	F829-I838 HydrophobicContact CZ-CG1 4.34Å; F829-I838 HydrophobicContact CZ-CG2 4.16Å; P835-I838 HydrophobicContact CB-CG1 4.45Å; P835-I838 HydrophobicContact CG-CD1 4.43Å; P835-I838 HydrophobicContact CG-CG1 4.3Å; I838-Q887 HydrophobicContact CG2-CB 3.79Å; I838-Q887 HydrophobicContact CG2-CG 4.16Å; I838-T907 CarbonylContact O-C 3.56Å; I838-T907 VanDerWaalsContact O-CA 3.27Å; I838-T907 WeakPolarHBondContact O-CA 3.18Å; I838-V908 PolarHBondContact N-O 3.23Å; I838-V908 PolarHBondContact O-N 2.89Å
839	Y	90.6	Very high	85.3	Confident	25 Å²	25	55.3 Å²	55.3	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.2	-178	-72	-118.2	0	0	0	109.3	V837 I888 E890 W893 L905 T907	V837-Y839 HydrophobicContact CB-CE2 4.22Å; V837-Y839 HydrophobicContact CG1-CD2 4.23Å; V837-Y839 HydrophobicContact CG1-CE2 3.74Å; Y839-I888 PolarHBondContact N-O 3.23Å; Y839-I888 PolarHBondContact O-N 2.77Å; Y839-E890 HydrophobicContact CD2-CB 4.02Å; Y839-E890 HydrophobicContact CE1-CG 4.39Å; Y839-E890 HydrophobicContact CE2-CB 3.51Å; Y839-E890 HydrophobicContact CE2-CG 3.83Å; Y839-E890 PolarHBondContact OH-OE2 3.25Å; Y839-E890 VanDerWaalsContact OH-OE2 3.07Å; Y839-W893 HydrophobicContact CD1-CB 3.56Å; Y839-W893 AromaticContact CD1-CD1 3.73Å; Y839-W893 AromaticContact CD1-CD2 4Å; Y839-W893 HydrophobicContact CD1-CD2 4Å; Y839-W893 AromaticContact CD1-CG 3.43Å; Y839-W893 HydrophobicContact CD1-CG 3.43Å; Y839-W893 VanDerWaalsContact CD1-CG 3.43Å; Y839-W893 HydrophobicContact CE1-CB 4.32Å; Y839-W893 AromaticContact CE1-CD1 3.91Å; Y839-W893 HydrophobicContact CE1-CG 4.07Å; Y839-W893 HydrophobicContact CG-CB 3.89Å; Y839-W893 HydrophobicContact CG-CG 4.22Å; Y839-L905 HydrophobicContact CD1-CD1 3.78Å; Y839-L905 HydrophobicContact CE1-CD1 3.78Å; Y839-T907 HydrophobicContact CD1-CG2 3.87Å; Y839-T907 HydrophobicContact CD2-CG2 4.26Å; Y839-T907 HydrophobicContact CE1-CG2 3.89Å; Y839-T907 HydrophobicContact CE2-CG2 4.19Å; Y839-T907 HydrophobicContact CG-CG2 4.06Å
840	C	90.3	Very high	85.5	Confident	1 Å²	1	55 Å²	55	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.7	-177.9	-56.7	0	0	0	0	111.6	N866 I869 L879 G886 V906	C840-N866 PolarHBondContact O-ND2 3.4Å; C840-I869 HydrophobicContact CB-CD1 4.09Å; C840-L879 HydrophobicContact CB-CD1 4.17Å; C840-G886 WeakPolarHBondContact CA-O 3.33Å; C840-V906 HydrophobicContact CB-CB 4.1Å; C840-V906 HydrophobicContact CB-CG1 3.88Å; C840-V906 PolarHBondContact N-O 3.07Å
841	I	92.7	Very high	85.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.9	177.9	-161.8	163.5	0	0	0	110.6	M843 W845 F846 I864 N866 S885 G886 I888 L896	I841-M843 PolarHBondContact O-N 2.82Å; I841-W845 HydrophobicContact CD1-CE3 3.52Å; I841-W845 HydrophobicContact CD1-CZ3 3.58Å; I841-W845 HydrophobicContact CG1-CE3 4.07Å; I841-F846 HydrophobicContact CG2-CD2 4.47Å; I841-I864 HydrophobicContact CD1-CD1 4.32Å; I841-I864 HydrophobicContact CD1-CG2 4.29Å; I841-I864 HydrophobicContact CG1-CG2 4.04Å; I841-N866 WeakPolarHBondContact CA-OD1 3.47Å; I841-S885 CarbonylContact O-C 3.54Å; I841-S885 VanDerWaalsContact O-CA 3.26Å; I841-S885 WeakPolarHBondContact O-CA 3.32Å; I841-G886 PolarHBondContact N-O 3.35Å; I841-G886 PolarHBondContact O-N 3.01Å; I841-I888 HydrophobicContact CB-CD1 4.14Å; I841-I888 HydrophobicContact CD1-CD1 4.23Å; I841-I888 HydrophobicContact CG2-CD1 4.22Å; I841-I888 HydrophobicContact CG2-CG2 4.23Å; I841-L896 HydrophobicContact CD1-CD1 3.87Å
842	S	93.3	Very high	86.3	Confident	8 Å²	8	43.3 Å²	43.3	6%	0.056	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.5	177.5	-174.9	0	0	0	0	111.4	Q844 W845 F846 D865 N866	S842-Q844 PolarHBondContact O-N 3.25Å; S842-Q844 PolarHBondContact OG-N 3.14Å; S842-W845 PolarHBondContact O-N 3.31Å; S842-F846 WeakPolarHBondContact O-CB 3.44Å; S842-F846 PolarHBondContact O-N 3.33Å; S842-D865 WeakPolarHBondContact CB-O 3.42Å; S842-N866 PolarHBondContact N-OD1 3.2Å
843	M	91.3	Very high	86.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-21.1	175.9	-71.5	-55.9	-59.5	0	0	113.1	I841 F846 R847 D884 I926 E929	I841-M843 PolarHBondContact O-N 2.82Å; M843-F846 HydrophobicContact CE-CD1 3.85Å; M843-F846 HydrophobicContact SD-CB 4.43Å; M843-F846 HydrophobicContact SD-CD1 4.3Å; M843-R847 WeakPolarHBondContact O-CB 3.37Å; M843-R847 WeakPolarHBondContact O-CD 3.37Å; M843-R847 WeakPolarHBondContact O-CG 3.21Å; M843-R847 PolarHBondContact O-N 2.86Å; M843-D884 HydrophobicContact CB-CB 4.4Å; M843-D884 WeakPolarHBondContact CG-OD1 3.47Å; M843-D884 PolarHBondContact N-O 2.67Å; M843-I926 HydrophobicContact SD-CG1 4.25Å; M843-E929 VanDerWaalsContact CE-OE2 3.3Å; M843-E929 WeakPolarHBondContact CE-OE2 3.38Å
844	Q	90.4	Very high	87.7	Confident	98 Å²	98	32.7 Å²	32.7	46%	0.458	17%	0.172	S	C	.	.	H	α-helix	trans	-62.9	-55.8	171.1	177.5	60	42.2	0	0	110.3	S842 F846 R847 E848	S842-Q844 PolarHBondContact O-N 3.25Å; S842-Q844 PolarHBondContact OG-N 3.14Å; Q844-F846 VanDerWaalsContact C-N 3.34Å; Q844-F846 PolarHBondContact O-N 3.27Å; Q844-R847 PolarHBondContact O-N 2.71Å; Q844-E848 PolarHBondContact NE2-OE1 2.73Å; Q844-E848 PolarHBondContact O-N 2.98Å
845	W	93.5	Very high	88.2	Confident	7 Å²	7	29.9 Å²	29.9	3%	0.027	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-40.2	178.4	-175.7	91.2	0	0	0	111.7	I841 S842 R847 E848 W849 P861 G862 P863 I864 L896 Y900	I841-W845 HydrophobicContact CD1-CE3 3.52Å; I841-W845 HydrophobicContact CD1-CZ3 3.58Å; I841-W845 HydrophobicContact CG1-CE3 4.07Å; S842-W845 PolarHBondContact O-N 3.31Å; W845-R847 VanDerWaalsContact C-N 3.3Å; W845-R847 PolarHBondContact O-N 2.97Å; W845-E848 WeakPolarHBondContact O-CB 3.41Å; W845-E848 PolarHBondContact O-N 2.73Å; W845-W849 HydrophobicContact CE3-CB 4.17Å; W845-W849 HydrophobicContact CH2-CB 3.75Å; W845-W849 AromaticContact CH2-CD1 3.88Å; W845-W849 AromaticContact CH2-CG 3.85Å; W845-W849 HydrophobicContact CH2-CG 3.85Å; W845-W849 HydrophobicContact CZ2-CB 4.3Å; W845-W849 HydrophobicContact CZ3-CB 3.67Å; W845-W849 AromaticContact CZ3-CG 3.98Å; W845-W849 HydrophobicContact CZ3-CG 3.98Å; W845-W849 PolarHBondContact O-N 3.2Å; W845-P861 HydrophobicContact CZ2-CB 4.16Å; W845-P861 HydrophobicContact CZ2-CG 3.88Å; W845-G862 PolarHBondContact NE1-O 3.29Å; W845-P863 PolarHBondContact NE1-O 3.36Å; W845-I864 HydrophobicContact CD2-CB 4.45Å; W845-I864 HydrophobicContact CD2-CG1 4.01Å; W845-I864 HydrophobicContact CE3-CG1 4.25Å; W845-I864 HydrophobicContact CH2-CG1 4Å; W845-I864 HydrophobicContact CZ2-CG1 3.71Å; W845-I864 HydrophobicContact CZ3-CG1 4.26Å; W845-L896 HydrophobicContact CH2-CB 4.46Å; W845-L896 HydrophobicContact CH2-CD2 4.26Å; W845-L896 HydrophobicContact CZ3-CD1 4.24Å; W845-Y900 AromaticContact CH2-CD2 3.78Å; W845-Y900 HydrophobicContact CH2-CD2 3.78Å; W845-Y900 HydrophobicContact CH2-CE2 4.21Å; W845-Y900 HydrophobicContact CH2-CG 4.18Å; W845-Y900 HydrophobicContact CZ2-CD1 4.15Å; W845-Y900 AromaticContact CZ2-CD2 3.73Å; W845-Y900 HydrophobicContact CZ2-CD2 3.73Å; W845-Y900 HydrophobicContact CZ2-CE2 4.34Å; W845-Y900 AromaticContact CZ2-CG 3.64Å; W845-Y900 HydrophobicContact CZ2-CG 3.64Å
846	F	92.5	Very high	88.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-37.1	179	-173.4	-99	0	0	0	112.3	F822 I841 S842 M843 Q844 W849 E850 I926	F822-F846 HydrophobicContact CE1-CE2 4.44Å; F822-F846 HydrophobicContact CE1-CZ 4.09Å; F822-F846 AromaticContact CE2-CE2 3.74Å; F822-F846 HydrophobicContact CE2-CE2 3.74Å; F822-F846 HydrophobicContact CE2-CZ 4.18Å; F822-F846 AromaticContact CZ-CE2 3.66Å; F822-F846 HydrophobicContact CZ-CE2 3.66Å; F822-F846 AromaticContact CZ-CZ 3.6Å; F822-F846 HydrophobicContact CZ-CZ 3.6Å; I841-F846 HydrophobicContact CG2-CD2 4.47Å; S842-F846 WeakPolarHBondContact O-CB 3.44Å; S842-F846 PolarHBondContact O-N 3.33Å; M843-F846 HydrophobicContact CE-CD1 3.85Å; M843-F846 HydrophobicContact SD-CB 4.43Å; M843-F846 HydrophobicContact SD-CD1 4.3Å; Q844-F846 VanDerWaalsContact C-N 3.34Å; Q844-F846 PolarHBondContact O-N 3.27Å; F846-W849 HydrophobicContact CD2-CE3 4.05Å; F846-W849 HydrophobicContact CD2-CZ3 4.49Å; F846-W849 AromaticContact CE2-CE3 3.7Å; F846-W849 HydrophobicContact CE2-CE3 3.7Å; F846-W849 AromaticContact CE2-CZ3 3.69Å; F846-W849 HydrophobicContact CE2-CZ3 3.69Å; F846-W849 HydrophobicContact CZ-CE3 4.18Å; F846-W849 AromaticContact CZ-CZ3 3.93Å; F846-W849 HydrophobicContact CZ-CZ3 3.93Å; F846-W849 PolarHBondContact O-N 3.04Å; F846-E850 WeakPolarHBondContact O-CB 3.24Å; F846-E850 PolarHBondContact O-N 2.73Å; F846-I926 HydrophobicContact CE1-CG2 4.34Å; F846-I926 HydrophobicContact CZ-CG2 4.26Å
847	R	91.1	Very high	88.8	Confident	86 Å²	86	33.6 Å²	33.6	33%	0.325	17%	0.166	S	C	.	.	H	α-helix	trans	-69.9	-34.6	174.8	-73.2	167.9	-177.1	141.3	-5.9	112.9	M843 Q844 W845 E850 G851 D884 E929	M843-R847 WeakPolarHBondContact O-CB 3.37Å; M843-R847 WeakPolarHBondContact O-CD 3.37Å; M843-R847 WeakPolarHBondContact O-CG 3.21Å; M843-R847 PolarHBondContact O-N 2.86Å; Q844-R847 PolarHBondContact O-N 2.71Å; W845-R847 VanDerWaalsContact C-N 3.3Å; W845-R847 PolarHBondContact O-N 2.97Å; R847-E850 PolarHBondContact O-N 3.05Å; R847-G851 PolarHBondContact O-N 3.13Å; R847-D884 IonicContact CZ-OD2 3.4Å; R847-D884 IonicContact NH1-OD2 2.62Å; R847-D884 PolarHBondContact NH1-OD2 3.15Å; R847-D884 IonicContact NH2-OD2 3.62Å; R847-E929 IonicContact CZ-OE1 3.69Å; R847-E929 IonicContact CZ-OE2 3.71Å; R847-E929 IonicContact NE-OE1 3.1Å; R847-E929 PolarHBondContact NE-OE1 3.47Å; R847-E929 IonicContact NE-OE2 3.37Å; R847-E929 PolarHBondContact NE-OE2 2.88Å; R847-E929 VanDerWaalsContact NE-OE2 3.15Å; R847-E929 IonicContact NH2-OE1 3.96Å; R847-E929 PolarHBondContact NH2-OE1 2.84Å; R847-E929 IonicContact NH2-OE2 2.72Å
848	E	90.2	Very high	88.4	Confident	83 Å²	83	37.7 Å²	37.7	39%	0.388	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-41.8	171.6	-68.1	169.4	-147.2	0	0	111.2	Q844 W845 F852 P861	Q844-E848 PolarHBondContact NE2-OE1 2.73Å; Q844-E848 PolarHBondContact O-N 2.98Å; W845-E848 WeakPolarHBondContact O-CB 3.41Å; W845-E848 PolarHBondContact O-N 2.73Å; E848-F852 PolarHBondContact O-N 3.4Å; E848-F852 VanDerWaalsContact O-N 3.1Å; E848-P861 HydrophobicContact CB-CB 4.09Å
849	W	93.8	Very high	88.1	Confident	3 Å²	3	41.1 Å²	41.1	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-43.3	172.3	176.7	79.8	0	0	0	112.5	E818 F822 W845 F846 G851 F852 V853 P861 L896 Y900	E818-W849 HydrophobicContact CB-CZ2 4.42Å; E818-W849 PolarHBondContact OE2-NE1 3.24Å; F822-W849 HydrophobicContact CB-CH2 3.54Å; F822-W849 HydrophobicContact CB-CZ2 4.01Å; F822-W849 AromaticContact CD1-CH2 3.76Å; F822-W849 HydrophobicContact CD1-CH2 3.76Å; F822-W849 HydrophobicContact CD1-CZ3 4.09Å; F822-W849 AromaticContact CD2-CH2 3.88Å; F822-W849 HydrophobicContact CD2-CH2 3.88Å; F822-W849 HydrophobicContact CD2-CZ3 4.2Å; F822-W849 HydrophobicContact CE1-CH2 4.49Å; F822-W849 HydrophobicContact CE1-CZ3 4.38Å; F822-W849 HydrophobicContact CE2-CZ3 4.48Å; F822-W849 AromaticContact CG-CH2 3.42Å; F822-W849 HydrophobicContact CG-CH2 3.42Å; F822-W849 VanDerWaalsContact CG-CH2 3.42Å; F822-W849 HydrophobicContact CG-CZ2 4.28Å; F822-W849 HydrophobicContact CG-CZ3 4.01Å; W845-W849 HydrophobicContact CE3-CB 4.17Å; W845-W849 HydrophobicContact CH2-CB 3.75Å; W845-W849 AromaticContact CH2-CD1 3.88Å; W845-W849 AromaticContact CH2-CG 3.85Å; W845-W849 HydrophobicContact CH2-CG 3.85Å; W845-W849 HydrophobicContact CZ2-CB 4.3Å; W845-W849 HydrophobicContact CZ3-CB 3.67Å; W845-W849 AromaticContact CZ3-CG 3.98Å; W845-W849 HydrophobicContact CZ3-CG 3.98Å; W845-W849 PolarHBondContact O-N 3.2Å; F846-W849 HydrophobicContact CD2-CE3 4.05Å; F846-W849 HydrophobicContact CD2-CZ3 4.49Å; F846-W849 AromaticContact CE2-CE3 3.7Å; F846-W849 HydrophobicContact CE2-CE3 3.7Å; F846-W849 AromaticContact CE2-CZ3 3.69Å; F846-W849 HydrophobicContact CE2-CZ3 3.69Å; F846-W849 HydrophobicContact CZ-CE3 4.18Å; F846-W849 AromaticContact CZ-CZ3 3.93Å; F846-W849 HydrophobicContact CZ-CZ3 3.93Å; F846-W849 PolarHBondContact O-N 3.04Å; W849-G851 VanDerWaalsContact C-N 3.34Å; W849-G851 PolarHBondContact O-N 3.19Å; W849-F852 WeakPolarHBondContact O-CB 3.47Å; W849-F852 PolarHBondContact O-N 2.91Å; W849-V853 HydrophobicContact CD2-CG1 4.31Å; W849-V853 HydrophobicContact CD2-CG2 4.39Å; W849-V853 HydrophobicContact CE3-CG2 4.35Å; W849-V853 HydrophobicContact CH2-CG2 3.93Å; W849-V853 HydrophobicContact CZ2-CB 4.45Å; W849-V853 HydrophobicContact CZ2-CG1 3.76Å; W849-V853 HydrophobicContact CZ2-CG2 3.98Å; W849-V853 HydrophobicContact CZ3-CG2 4.14Å; W849-V853 PolarHBondContact O-N 2.87Å; W849-P861 HydrophobicContact CB-CB 4.44Å; W849-P861 HydrophobicContact CB-CG 3.9Å; W849-P861 HydrophobicContact CG-CG 4.41Å; W849-L896 HydrophobicContact CD2-CD2 4.32Å; W849-L896 HydrophobicContact CZ2-CD2 4.19Å; W849-Y900 AromaticContact CD1-CE2 3.63Å; W849-Y900 AromaticContact CD1-CZ 3.8Å; W849-Y900 AromaticContact NE1-CE2 3.87Å
850	E	90.5	Very high	88	Confident	15 Å²	15	42.8 Å²	42.8	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-42.5	177.6	-161.1	-140.8	-128.5	0	0	111.4	F846 R847 F852 V853 K854 K856	F846-E850 WeakPolarHBondContact O-CB 3.24Å; F846-E850 PolarHBondContact O-N 2.73Å; R847-E850 PolarHBondContact O-N 3.05Å; E850-F852 VanDerWaalsContact C-N 3.35Å; E850-F852 PolarHBondContact O-N 2.62Å; E850-V853 PolarHBondContact O-N 2.99Å; E850-K854 VanDerWaalsContact CD-CE 3.42Å; E850-K854 HydrophobicContact CG-CD 3.89Å; E850-K854 HydrophobicContact CG-CG 4.24Å; E850-K854 VanDerWaalsContact O-CB 3.26Å; E850-K854 WeakPolarHBondContact O-CB 3.35Å; E850-K854 WeakPolarHBondContact O-CG 3.31Å; E850-K854 PolarHBondContact O-N 3.11Å; E850-K854 VanDerWaalsContact OE1-CE 3.3Å; E850-K854 WeakPolarHBondContact OE1-CE 3.46Å; E850-K854 IonicContact OE1-NZ 3.94Å; E850-K854 PolarHBondContact OE1-NZ 3.13Å; E850-K854 WeakPolarHBondContact OE2-CD 3.47Å; E850-K854 IonicContact OE2-NZ 3.78Å; E850-K854 PolarHBondContact OE2-NZ 3.47Å; E850-K856 IonicContact OE2-NZ 2.71Å; E850-K856 PolarHBondContact OE2-NZ 2.83Å
851	G	88.8	Confident	87.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-44.2	174	0	0	0	0	0	112.5	R847 W849 G855 K856 D857	R847-G851 PolarHBondContact O-N 3.13Å; W849-G851 VanDerWaalsContact C-N 3.34Å; W849-G851 PolarHBondContact O-N 3.19Å; G851-G855 PolarHBondContact O-N 3.46Å; G851-K856 WeakPolarHBondContact O-CB 3.45Å; G851-K856 PolarHBondContact O-N 3.49Å; G851-D857 WeakPolarHBondContact CA-OD2 3.43Å; G851-D857 PolarHBondContact O-N 3.42Å; G851-D857 VanDerWaalsContact O-N 3.13Å
852	F	92.4	Very high	87.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-50.9	174.4	172.7	-110	0	0	0	113.1	L811 R815 E848 W849 E850 G855 P860	L811-F852 HydrophobicContact CD1-CE2 3.89Å; L811-F852 HydrophobicContact CD1-CZ 3.87Å; R815-F852 VanDerWaalsContact CD-O 3.32Å; R815-F852 WeakPolarHBondContact CD-O 3.44Å; R815-F852 HydrophobicContact CG-CE1 4.13Å; R815-F852 HydrophobicContact CG-CE2 4.23Å; R815-F852 HydrophobicContact CG-CZ 3.95Å; R815-F852 WeakPolarHBondContact CG-O 3.43Å; R815-F852 PolarHBondContact NE-O 2.87Å; E848-F852 PolarHBondContact O-N 3.4Å; E848-F852 VanDerWaalsContact O-N 3.1Å; W849-F852 WeakPolarHBondContact O-CB 3.47Å; W849-F852 PolarHBondContact O-N 2.91Å; E850-F852 VanDerWaalsContact C-N 3.35Å; E850-F852 PolarHBondContact O-N 2.62Å; F852-G855 PolarHBondContact O-N 3.43Å; F852-G855 VanDerWaalsContact O-N 3.12Å; F852-P860 HydrophobicContact CD1-CB 4.38Å; F852-P860 HydrophobicContact CD2-CB 4.09Å; F852-P860 HydrophobicContact CE1-CB 4.21Å; F852-P860 HydrophobicContact CE2-CB 3.9Å; F852-P860 HydrophobicContact CG-CB 4.32Å; F852-P860 HydrophobicContact CZ-CB 3.97Å
853	V	91.9	Very high	87.7	Confident	9 Å²	9	49 Å²	49	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-75.2	-30.6	-175.7	-58.6	0	0	0	0	113.6	E818 L819 W849 E850 G855	E818-V853 HydrophobicContact CB-CG1 4.05Å; L819-V853 HydrophobicContact CB-CB 4.35Å; L819-V853 HydrophobicContact CB-CG2 4.44Å; L819-V853 HydrophobicContact CD1-CG2 4.11Å; W849-V853 HydrophobicContact CD2-CG1 4.31Å; W849-V853 HydrophobicContact CD2-CG2 4.39Å; W849-V853 HydrophobicContact CE3-CG2 4.35Å; W849-V853 HydrophobicContact CH2-CG2 3.93Å; W849-V853 HydrophobicContact CZ2-CB 4.45Å; W849-V853 HydrophobicContact CZ2-CG1 3.76Å; W849-V853 HydrophobicContact CZ2-CG2 3.98Å; W849-V853 HydrophobicContact CZ3-CG2 4.14Å; W849-V853 PolarHBondContact O-N 2.87Å; E850-V853 PolarHBondContact O-N 2.99Å; V853-G855 PolarHBondContact O-N 2.69Å
854	K	87.5	Confident	87.7	Confident	60 Å²	60	49 Å²	49	26%	0.261	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	1.4	168.5	-67.5	-175	178.8	173	0	112.8	E850 K856 E929	E850-K854 VanDerWaalsContact CD-CE 3.42Å; E850-K854 HydrophobicContact CG-CD 3.89Å; E850-K854 HydrophobicContact CG-CG 4.24Å; E850-K854 VanDerWaalsContact O-CB 3.26Å; E850-K854 WeakPolarHBondContact O-CB 3.35Å; E850-K854 WeakPolarHBondContact O-CG 3.31Å; E850-K854 PolarHBondContact O-N 3.11Å; E850-K854 VanDerWaalsContact OE1-CE 3.3Å; E850-K854 WeakPolarHBondContact OE1-CE 3.46Å; E850-K854 IonicContact OE1-NZ 3.94Å; E850-K854 PolarHBondContact OE1-NZ 3.13Å; E850-K854 WeakPolarHBondContact OE2-CD 3.47Å; E850-K854 IonicContact OE2-NZ 3.78Å; E850-K854 PolarHBondContact OE2-NZ 3.47Å; K854-K856 VanDerWaalsContact C-N 3.31Å; K854-K856 HydrophobicContact CB-CG 4.46Å; K854-K856 PolarHBondContact O-N 3.27Å; K854-E929 PolarHBondContact NZ-O 2.82Å; K854-E929 VanDerWaalsContact NZ-O 3.14Å
855	G	81.8	Confident	87.7	Confident	37 Å²	37	47.4 Å²	47.4	38%	0.381	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	13	174.1	0	0	0	0	0	115.6	G851 F852 V853	G851-G855 PolarHBondContact O-N 3.46Å; F852-G855 PolarHBondContact O-N 3.43Å; F852-G855 VanDerWaalsContact O-N 3.12Å; V853-G855 PolarHBondContact O-N 2.69Å
856	K	79.8	Confident	87.7	Confident	136 Å²	136	47.1 Å²	47.1	59%	0.591	26%	0.259	S	S	*	.	S	Bend	trans	-68.7	-39.2	173	-54	175.7	-169.2	156.4	0	110.6	E850 G851 K854	E850-K856 IonicContact OE2-NZ 2.71Å; E850-K856 PolarHBondContact OE2-NZ 2.83Å; G851-K856 WeakPolarHBondContact O-CB 3.45Å; G851-K856 PolarHBondContact O-N 3.49Å; K854-K856 VanDerWaalsContact C-N 3.31Å; K854-K856 HydrophobicContact CB-CG 4.46Å; K854-K856 PolarHBondContact O-N 3.27Å
857	D	76.9	Confident	87.5	Confident	83 Å²	83	50.5 Å²	50.5	44%	0.444	28%	0.283	S	S	.	.			trans	-115	136.8	-176.2	-62.2	-77.3	0	0	0	111.4	R815 G851	R815-D857 PolarHBondContact NH2-O 3.39Å; G851-D857 WeakPolarHBondContact CA-OD2 3.43Å; G851-D857 PolarHBondContact O-N 3.42Å; G851-D857 VanDerWaalsContact O-N 3.13Å
858	N	71.8	Confident	87.3	Confident	123 Å²	123	53.3 Å²	53.3	66%	0.658	30%	0.298	S	S	*	.	S	Bend	trans	-92.5	-29	-178.2	-76.1	-41	0	0	0	114.1	R815	R815-N858 PolarHBondContact NH2-OD1 3.16Å
859	D	79.8	Confident	87.2	Confident	88 Å²	88	49.5 Å²	49.5	47%	0.471	28%	0.28	S	S	.	.	S	Bend	trans	-76.5	136	166.3	-73.3	-64.7	0	0	0	109.4	R449	R449-D859 IonicContact CZ-OD1 3.73Å; R449-D859 IonicContact CZ-OD2 2.71Å; R449-D859 IonicContact NH1-OD1 2.66Å; R449-D859 IonicContact NH1-OD2 3.5Å; R449-D859 PolarHBondContact NH1-OD2 2.63Å; R449-D859 VanDerWaalsContact NH2-CG 3.31Å; R449-D859 IonicContact NH2-OD1 3.91Å; R449-D859 PolarHBondContact NH2-OD1 2.99Å; R449-D859 IonicContact NH2-OD2 3.84Å; R449-D859 PolarHBondContact NH2-OD2 3.47Å
860	P	86.9	Confident	86.8	Confident	60 Å²	60	50.3 Å²	50.3	39%	0.39	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-69	156.4	169.4	30.5	-34.6	0	0	0	111.2	F852 Y900	F852-P860 HydrophobicContact CD1-CB 4.38Å; F852-P860 HydrophobicContact CD2-CB 4.09Å; F852-P860 HydrophobicContact CE1-CB 4.21Å; F852-P860 HydrophobicContact CE2-CB 3.9Å; F852-P860 HydrophobicContact CG-CB 4.32Å; F852-P860 HydrophobicContact CZ-CB 3.97Å; P860-Y900 HydrophobicContact CB-CE1 4.34Å
861	P	89.6	Confident	86.5	Confident	15 Å²	15	52.3 Å²	52.3	10%	0.097	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.1	158.5	175.7	31.1	-39.3	0	0	0	111.2	W845 E848 W849 Y900	W845-P861 HydrophobicContact CZ2-CB 4.16Å; W845-P861 HydrophobicContact CZ2-CG 3.88Å; E848-P861 HydrophobicContact CB-CB 4.09Å; W849-P861 HydrophobicContact CB-CB 4.44Å; W849-P861 HydrophobicContact CB-CG 3.9Å; W849-P861 HydrophobicContact CG-CG 4.41Å; P861-Y900 HydrophobicContact CG-CD1 3.94Å; P861-Y900 HydrophobicContact CG-CE1 3.47Å; P861-Y900 VanDerWaalsContact CG-CE1 3.47Å
862	G	87.5	Confident	86.3	Confident	36 Å²	36	56.7 Å²	56.7	37%	0.371	32%	0.322	S	S	.	.			trans	-69.6	-171.6	173.5	0	0	0	0	0	112.9	W845	W845-G862 PolarHBondContact NE1-O 3.29Å
863	P	92.6	Very high	85.6	Confident	87 Å²	87	62.7 Å²	62.7	57%	0.565	35%	0.348	S	S	*	.	S	Bend	trans	-56.6	150.8	165.8	-20.7	33.2	0	0	0	111.4	W845 D865 Y900	W845-P863 PolarHBondContact NE1-O 3.36Å; P863-D865 PolarHBondContact O-N 2.97Å; P863-D865 VanDerWaalsContact O-N 3.16Å; P863-Y900 VanDerWaalsContact CA-O 3.29Å; P863-Y900 WeakPolarHBondContact CA-O 3.04Å; P863-Y900 WeakPolarHBondContact CB-O 3.39Å
864	I	92.8	Very high	84.4	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.015	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	119.9	179.2	-60	169.2	0	0	0	108.8	I841 W845 W893 L896 H897 G901 G902 G903	I841-I864 HydrophobicContact CD1-CD1 4.32Å; I841-I864 HydrophobicContact CD1-CG2 4.29Å; I841-I864 HydrophobicContact CG1-CG2 4.04Å; W845-I864 HydrophobicContact CD2-CB 4.45Å; W845-I864 HydrophobicContact CD2-CG1 4.01Å; W845-I864 HydrophobicContact CE3-CG1 4.25Å; W845-I864 HydrophobicContact CH2-CG1 4Å; W845-I864 HydrophobicContact CZ2-CG1 3.71Å; W845-I864 HydrophobicContact CZ3-CG1 4.26Å; I864-W893 HydrophobicContact CD1-CH2 4.39Å; I864-W893 HydrophobicContact CD1-CZ3 4.41Å; I864-W893 HydrophobicContact CG2-CH2 4.05Å; I864-W893 HydrophobicContact CG2-CZ3 4.1Å; I864-L896 HydrophobicContact CD1-CB 4.1Å; I864-H897 HydrophobicContact CD1-CB 4.38Å; I864-G901 WeakPolarHBondContact CB-O 3.4Å; I864-G901 WeakPolarHBondContact CG1-O 3.44Å; I864-G901 PolarHBondContact N-O 3.3Å; I864-G902 CarbonylContact O-C 3.55Å; I864-G902 WeakPolarHBondContact O-CA 3.28Å; I864-G903 PolarHBondContact O-N 3.2Å
865	D	90.8	Very high	83.5	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.342	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	99.5	172.7	178	28.4	0	0	0	110.6	S842 P863 S867	S842-D865 WeakPolarHBondContact CB-O 3.42Å; P863-D865 PolarHBondContact O-N 2.97Å; P863-D865 VanDerWaalsContact O-N 3.16Å; D865-S867 WeakPolarHBondContact OD1-CB 3.46Å; D865-S867 PolarHBondContact OD1-N 3.13Å; D865-S867 PolarHBondContact OD1-OG 2.83Å
866	N	92.4	Very high	82.9	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	42%	0.419	C	S	.	.			trans	-93.2	1.7	172.4	-88.8	-5.1	0	0	0	112.8	C840 I841 S842 K868 I869 S870 W893 G903 P904 V906	C840-N866 PolarHBondContact O-ND2 3.4Å; I841-N866 WeakPolarHBondContact CA-OD1 3.47Å; S842-N866 PolarHBondContact N-OD1 3.2Å; N866-K868 VanDerWaalsContact C-N 3.26Å; N866-K868 PolarHBondContact O-N 2.85Å; N866-I869 HydrophobicContact CB-CD1 4.35Å; N866-I869 HydrophobicContact CB-CG1 3.98Å; N866-I869 WeakPolarHBondContact O-CG1 3.39Å; N866-I869 PolarHBondContact O-N 2.91Å; N866-S870 WeakPolarHBondContact O-CB 3.38Å; N866-S870 PolarHBondContact O-N 3.36Å; N866-S870 VanDerWaalsContact O-N 3.12Å; N866-W893 WeakPolarHBondContact ND2-CZ3 3.49Å; N866-G903 PolarHBondContact N-O 3.34Å; N866-P904 HydrophobicContact CB-CG 4.2Å; N866-P904 WeakPolarHBondContact CB-O 3.03Å; N866-P904 PolarHBondContact ND2-O 3.03Å; N866-V906 HydrophobicContact CB-CG2 4.3Å
867	S	88.6	Confident	82.9	Confident	71 Å²	71	72.8 Å²	72.8	50%	0.497	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-56.9	-42.6	-170.3	-50	0	0	0	0	111.4	D865 I869 S870	D865-S867 WeakPolarHBondContact OD1-CB 3.46Å; D865-S867 PolarHBondContact OD1-N 3.13Å; D865-S867 PolarHBondContact OD1-OG 2.83Å; S867-I869 VanDerWaalsContact C-N 3.31Å; S867-I869 PolarHBondContact O-N 3.31Å; S867-S870 PolarHBondContact O-N 3.47Å; S867-S870 PolarHBondContact O-OG 3.36Å; S867-S870 VanDerWaalsContact O-OG 3.06Å
868	K	85.9	Confident	83.3	Confident	145 Å²	145	72.1 Å²	72.1	63%	0.63	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.3	-24.9	179.3	-63.5	176.6	-175.7	171.2	0	114.5	N866	N866-K868 VanDerWaalsContact C-N 3.26Å; N866-K868 PolarHBondContact O-N 2.85Å
869	I	88	Confident	83.9	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.015	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-98.4	-4.9	178.8	72	159.5	0	0	0	113	C840 N866 S867 L879 K880 A883	C840-I869 HydrophobicContact CB-CD1 4.09Å; N866-I869 HydrophobicContact CB-CD1 4.35Å; N866-I869 HydrophobicContact CB-CG1 3.98Å; N866-I869 WeakPolarHBondContact O-CG1 3.39Å; N866-I869 PolarHBondContact O-N 2.91Å; S867-I869 VanDerWaalsContact C-N 3.31Å; S867-I869 PolarHBondContact O-N 3.31Å; I869-L879 HydrophobicContact CB-CD1 4.24Å; I869-L879 HydrophobicContact CD1-CD1 4.1Å; I869-L879 HydrophobicContact CG1-CD1 4.48Å; I869-K880 VanDerWaalsContact O-CB 3.3Å; I869-K880 WeakPolarHBondContact O-CB 3.36Å; I869-K880 PolarHBondContact O-N 2.68Å; I869-A883 HydrophobicContact CB-CB 4.01Å; I869-A883 HydrophobicContact CG2-CB 4.06Å
870	S	86.9	Confident	84.3	Confident	20 Å²	20	69.9 Å²	69.9	14%	0.14	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.9	-172.4	77.1	0	0	0	0	113.3	N866 S867 I878 P904	N866-S870 WeakPolarHBondContact O-CB 3.38Å; N866-S870 PolarHBondContact O-N 3.36Å; N866-S870 VanDerWaalsContact O-N 3.12Å; S867-S870 PolarHBondContact O-N 3.47Å; S867-S870 PolarHBondContact O-OG 3.36Å; S867-S870 VanDerWaalsContact O-OG 3.06Å; S870-I878 CarbonylContact C-O 3.56Å; S870-I878 WeakPolarHBondContact CA-O 3.43Å; S870-P904 WeakPolarHBondContact OG-CG 3.46Å
871	V	84.3	Confident	83.9	Confident	58 Å²	58	76.4 Å²	76.4	35%	0.352	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.7	163	-173.4	0	0	0	0	108.5	K873 F877 I878 K880	V871-K873 PolarHBondContact O-N 3.49Å; V871-F877 WeakPolarHBondContact O-CA 3.41Å; V871-I878 HydrophobicContact CB-CG1 4.2Å; V871-I878 PolarHBondContact N-O 2.95Å; V871-I878 WeakPolarHBondContact O-CG1 3.37Å; V871-I878 PolarHBondContact O-N 2.84Å; V871-K880 HydrophobicContact CG2-CB 3.79Å; V871-K880 HydrophobicContact CG2-CG 4.01Å
872	N	84.1	Confident	83.4	Confident	92 Å²	92	79.9 Å²	79.9	49%	0.492	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.6	172.7	-176.3	-11.7	0	0	0	109.9	G875 F877	N872-G875 WeakPolarHBondContact OD1-CA 3.31Å; N872-G875 PolarHBondContact OD1-N 2.95Å; N872-F877 HydrophobicContact CB-CD1 4.07Å; N872-F877 HydrophobicContact CB-CE1 3.85Å; N872-F877 HydrophobicContact CB-CZ 4.38Å
873	K	76.8	Confident	83.3	Confident	126 Å²	126	79.4 Å²	79.4	55%	0.548	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.5	164.4	-70	-172.3	-179.1	172.5	0	108.5	V871 G875 H876 I878	V871-K873 PolarHBondContact O-N 3.49Å; K873-G875 PolarHBondContact O-N 2.93Å; K873-H876 PolarHBondContact N-O 2.81Å; K873-H876 PolarHBondContact O-N 3.3Å; K873-I878 HydrophobicContact CD-CD1 3.7Å; K873-I878 HydrophobicContact CD-CG1 4.36Å; K873-I878 HydrophobicContact CG-CD1 4.3Å; K873-I878 HydrophobicContact CG-CG1 4.46Å
874	N	66.8	Low	83.1	Confident	172 Å²	172	78.3 Å²	78.3	92%	0.92	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.1	174.6	-55.9	-3.3	0	0	0	114.4
875	G	68.6	Low	82.9	Confident	55 Å²	55	79 Å²	79	57%	0.567	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-7.9	-179.3	0	0	0	0	0	114.8	N872 K873	N872-G875 WeakPolarHBondContact OD1-CA 3.31Å; N872-G875 PolarHBondContact OD1-N 2.95Å; K873-G875 PolarHBondContact O-N 2.93Å
876	H	70.2	Confident	82.8	Confident	148 Å²	148	76 Å²	76	69%	0.685	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.5	170.4	-73.1	-85.2	0	0	0	110.5	K873	K873-H876 PolarHBondContact N-O 2.81Å; K873-H876 PolarHBondContact O-N 3.3Å
877	F	80.4	Confident	82.6	Confident	80 Å²	80	77.6 Å²	77.6	35%	0.351	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.4	175	-67.4	-90.5	0	0	0	109.7	V871 N872 P904 L905 V906	V871-F877 WeakPolarHBondContact O-CA 3.41Å; N872-F877 HydrophobicContact CB-CD1 4.07Å; N872-F877 HydrophobicContact CB-CE1 3.85Å; N872-F877 HydrophobicContact CB-CZ 4.38Å; F877-P904 HydrophobicContact CB-CB 4.07Å; F877-P904 HydrophobicContact CB-CG 4.34Å; F877-P904 HydrophobicContact CD1-CB 3.72Å; F877-P904 HydrophobicContact CD1-CG 3.62Å; F877-P904 HydrophobicContact CD2-CB 3.55Å; F877-P904 HydrophobicContact CD2-CG 4.38Å; F877-P904 HydrophobicContact CE1-CB 3.94Å; F877-P904 HydrophobicContact CE1-CG 3.9Å; F877-P904 HydrophobicContact CE2-CB 3.8Å; F877-P904 HydrophobicContact CG-CB 3.5Å; F877-P904 VanDerWaalsContact CG-CB 3.5Å; F877-P904 HydrophobicContact CG-CG 3.87Å; F877-P904 HydrophobicContact CZ-CB 3.98Å; F877-P904 HydrophobicContact CZ-CG 4.4Å; F877-L905 WeakPolarHBondContact CB-O 3.21Å; F877-V906 HydrophobicContact CB-CG2 4.29Å
878	I	84.6	Confident	82.7	Confident	68 Å²	68	74.3 Å²	74.3	35%	0.349	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	159.6	173.4	61.3	159.2	0	0	0	110.4	S870 V871 K873	S870-I878 CarbonylContact C-O 3.56Å; S870-I878 WeakPolarHBondContact CA-O 3.43Å; V871-I878 HydrophobicContact CB-CG1 4.2Å; V871-I878 PolarHBondContact N-O 2.95Å; V871-I878 WeakPolarHBondContact O-CG1 3.37Å; V871-I878 PolarHBondContact O-N 2.84Å; K873-I878 HydrophobicContact CD-CD1 3.7Å; K873-I878 HydrophobicContact CD-CG1 4.36Å; K873-I878 HydrophobicContact CG-CD1 4.3Å; K873-I878 HydrophobicContact CG-CG1 4.46Å
879	L	85.1	Confident	82.8	Confident	54 Å²	54	67.5 Å²	67.5	28%	0.283	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134	175.3	-173.4	66.3	0	0	0	110.9	C840 I869 S885 V906 V908	C840-L879 HydrophobicContact CB-CD1 4.17Å; I869-L879 HydrophobicContact CB-CD1 4.24Å; I869-L879 HydrophobicContact CD1-CD1 4.1Å; I869-L879 HydrophobicContact CG1-CD1 4.48Å; L879-S885 WeakPolarHBondContact CD1-OG 3.5Å; L879-V906 HydrophobicContact CB-CG1 3.93Å; L879-V906 HydrophobicContact CD1-CG1 4.22Å; L879-V908 HydrophobicContact CB-CG2 4.11Å; L879-V908 HydrophobicContact CD2-CG2 4.15Å
880	K	86.6	Confident	82.9	Confident	110 Å²	110	71.5 Å²	71.5	48%	0.478	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-75.3	121.7	171.8	-176	-176.7	-179.1	-173.9	0	109.3	I869 V871 G882 A883	I869-K880 VanDerWaalsContact O-CB 3.3Å; I869-K880 WeakPolarHBondContact O-CB 3.36Å; I869-K880 PolarHBondContact O-N 2.68Å; V871-K880 HydrophobicContact CG2-CB 3.79Å; V871-K880 HydrophobicContact CG2-CG 4.01Å; K880-G882 PolarHBondContact O-N 2.8Å; K880-A883 HydrophobicContact CB-CB 4Å; K880-A883 HydrophobicContact CG-CB 4.46Å; K880-A883 VanDerWaalsContact O-CB 3.27Å; K880-A883 WeakPolarHBondContact O-CB 3.1Å; K880-A883 PolarHBondContact O-N 3.19Å; K880-A883 VanDerWaalsContact O-N 3.11Å
881	Q	79.9	Confident	83.1	Confident	198 Å²	198	75.5 Å²	75.5	93%	0.925	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	127.4	179.3	-165.2	169.1	7	0	0	110.6
882	G	78.8	Confident	83.4	Confident	88 Å²	88	72.8 Å²	72.8	91%	0.907	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	13.8	-177.1	0	0	0	0	0	116.1	K880	K880-G882 PolarHBondContact O-N 2.8Å
883	A	84.6	Confident	83.8	Confident	26 Å²	26	68.8 Å²	68.8	22%	0.215	37%	0.372	C	S	.	.			trans	-80.2	153.5	174.8	0	0	0	0	0	113.2	I869 K880 S885	I869-A883 HydrophobicContact CB-CB 4.01Å; I869-A883 HydrophobicContact CG2-CB 4.06Å; K880-A883 HydrophobicContact CB-CB 4Å; K880-A883 HydrophobicContact CG-CB 4.46Å; K880-A883 VanDerWaalsContact O-CB 3.27Å; K880-A883 WeakPolarHBondContact O-CB 3.1Å; K880-A883 PolarHBondContact O-N 3.19Å; K880-A883 VanDerWaalsContact O-N 3.11Å; A883-S885 PolarHBondContact O-N 3.41Å
884	D	88.2	Confident	84.5	Confident	64 Å²	64	66.5 Å²	66.5	34%	0.342	37%	0.366	S	S	.	.			trans	-79.5	83	177.3	-161.4	14.4	0	0	0	111	M843 R847 K925	M843-D884 HydrophobicContact CB-CB 4.4Å; M843-D884 WeakPolarHBondContact CG-OD1 3.47Å; M843-D884 PolarHBondContact N-O 2.67Å; R847-D884 IonicContact CZ-OD2 3.4Å; R847-D884 IonicContact NH1-OD2 2.62Å; R847-D884 PolarHBondContact NH1-OD2 3.15Å; R847-D884 IonicContact NH2-OD2 3.62Å; D884-K925 IonicContact OD1-NZ 2.87Å; D884-K925 PolarHBondContact OD1-NZ 3.07Å; D884-K925 IonicContact OD2-NZ 2.71Å
885	S	90.1	Very high	85.8	Confident	18 Å²	18	59.5 Å²	59.5	13%	0.126	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.3	-177.5	60.7	0	0	0	0	112.6	I841 L879 A883	I841-S885 CarbonylContact O-C 3.54Å; I841-S885 VanDerWaalsContact O-CA 3.26Å; I841-S885 WeakPolarHBondContact O-CA 3.32Å; L879-S885 WeakPolarHBondContact CD1-OG 3.5Å; A883-S885 PolarHBondContact O-N 3.41Å
886	G	87	Confident	86.9	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	153.4	167.7	0	0	0	0	0	112.3	C840 I841	C840-G886 WeakPolarHBondContact CA-O 3.33Å; I841-G886 PolarHBondContact N-O 3.35Å; I841-G886 PolarHBondContact O-N 3.01Å
887	Q	88.8	Confident	87.9	Confident	33 Å²	33	53.1 Å²	53.1	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.8	173.1	-64.3	-165.2	93.2	0	0	110.3	I838 S922 E923 I926	I838-Q887 HydrophobicContact CG2-CB 3.79Å; I838-Q887 HydrophobicContact CG2-CG 4.16Å; Q887-S922 PolarHBondContact NE2-OG 2.71Å; Q887-E923 PolarHBondContact NE2-OE1 3.22Å; Q887-I926 WeakPolarHBondContact O-CD1 3.3Å
888	I	89.9	Confident	88.5	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.7	179.8	62.7	174.3	0	0	0	111.9	Y839 I841 T892 W893 L896 I926	Y839-I888 PolarHBondContact N-O 3.23Å; Y839-I888 PolarHBondContact O-N 2.77Å; I841-I888 HydrophobicContact CB-CD1 4.14Å; I841-I888 HydrophobicContact CD1-CD1 4.23Å; I841-I888 HydrophobicContact CG2-CD1 4.22Å; I841-I888 HydrophobicContact CG2-CG2 4.23Å; I888-T892 HydrophobicContact CB-CG2 3.94Å; I888-T892 HydrophobicContact CD1-CG2 4.17Å; I888-T892 HydrophobicContact CG2-CG2 4.15Å; I888-W893 HydrophobicContact CD1-CB 4.03Å; I888-W893 HydrophobicContact CD1-CE3 4.29Å; I888-W893 HydrophobicContact CG1-CB 4.48Å; I888-L896 HydrophobicContact CD1-CD1 4.31Å; I888-I926 HydrophobicContact CG2-CD1 4.48Å
889	S	89.9	Confident	88.8	Confident	3 Å²	3	54 Å²	54	2%	0.021	30%	0.299	C	S	.	.			trans	-73.4	166.4	176.7	89.1	0	0	0	0	113.4	F829 E891 T892 W893	F829-S889 VanDerWaalsContact CD2-CB 3.42Å; S889-E891 WeakPolarHBondContact CB-OE2 3.44Å; S889-E891 PolarHBondContact OG-N 3.17Å; S889-E891 PolarHBondContact OG-OE2 3.26Å; S889-T892 PolarHBondContact O-N 3.11Å; S889-T892 PolarHBondContact OG-N 3.33Å; S889-T892 VanDerWaalsContact OG-N 3.07Å; S889-T892 PolarHBondContact OG-OG1 3.16Å; S889-W893 PolarHBondContact O-N 3.18Å
890	E	89.9	Confident	89.2	Confident	87 Å²	87	52.8 Å²	52.8	41%	0.407	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174.7	-179.9	161.6	166.4	0	0	111.9	Y839 T892 W893 N894	Y839-E890 HydrophobicContact CD2-CB 4.02Å; Y839-E890 HydrophobicContact CE1-CG 4.39Å; Y839-E890 HydrophobicContact CE2-CB 3.51Å; Y839-E890 HydrophobicContact CE2-CG 3.83Å; Y839-E890 PolarHBondContact OH-OE2 3.25Å; Y839-E890 VanDerWaalsContact OH-OE2 3.07Å; E890-T892 VanDerWaalsContact C-N 3.31Å; E890-T892 PolarHBondContact O-N 3.29Å; E890-W893 PolarHBondContact O-N 2.76Å; E890-N894 VanDerWaalsContact CG-ND2 3.3Å; E890-N894 WeakPolarHBondContact CG-ND2 3.42Å; E890-N894 VanDerWaalsContact O-CB 3.27Å; E890-N894 WeakPolarHBondContact O-CB 3.45Å; E890-N894 VanDerWaalsContact O-CG 3.24Å; E890-N894 PolarHBondContact O-N 2.91Å; E890-N894 PolarHBondContact O-ND2 2.85Å; E890-N894 VanDerWaalsContact O-ND2 3.13Å
891	E	90.3	Very high	89.4	Confident	104 Å²	104	48.6 Å²	48.6	49%	0.486	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-39.6	176.9	-53.3	67.7	-146.5	0	0	110.7	L825 S889 N894 F895	L825-E891 HydrophobicContact CD1-CB 4.29Å; L825-E891 HydrophobicContact CD2-CB 3.87Å; S889-E891 WeakPolarHBondContact CB-OE2 3.44Å; S889-E891 PolarHBondContact OG-N 3.17Å; S889-E891 PolarHBondContact OG-OE2 3.26Å; E891-N894 PolarHBondContact O-N 2.86Å; E891-F895 WeakPolarHBondContact O-CB 3.25Å; E891-F895 PolarHBondContact O-N 2.74Å
892	T	91.3	Very high	89.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-43.1	179.5	-52.3	0	0	0	0	110.8	F822 L825 I888 S889 E890 L896	F822-T892 HydrophobicContact CD2-CG2 3.73Å; F822-T892 HydrophobicContact CE2-CG2 3.7Å; L825-T892 WeakPolarHBondContact CB-OG1 3.32Å; I888-T892 HydrophobicContact CB-CG2 3.94Å; I888-T892 HydrophobicContact CD1-CG2 4.17Å; I888-T892 HydrophobicContact CG2-CG2 4.15Å; S889-T892 PolarHBondContact O-N 3.11Å; S889-T892 PolarHBondContact OG-N 3.33Å; S889-T892 VanDerWaalsContact OG-N 3.07Å; S889-T892 PolarHBondContact OG-OG1 3.16Å; E890-T892 VanDerWaalsContact C-N 3.31Å; E890-T892 PolarHBondContact O-N 3.29Å; T892-L896 HydrophobicContact CG2-CD1 4.35Å; T892-L896 WeakPolarHBondContact O-CG 3.17Å; T892-L896 PolarHBondContact O-N 2.88Å; T892-L896 VanDerWaalsContact O-N 3.1Å
893	W	91.3	Very high	90.2	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-51.9	171.5	173	-88	0	0	0	111.2	Y839 I864 N866 I888 S889 E890 F895 L896 H897 L905	Y839-W893 HydrophobicContact CD1-CB 3.56Å; Y839-W893 AromaticContact CD1-CD1 3.73Å; Y839-W893 AromaticContact CD1-CD2 4Å; Y839-W893 HydrophobicContact CD1-CD2 4Å; Y839-W893 AromaticContact CD1-CG 3.43Å; Y839-W893 HydrophobicContact CD1-CG 3.43Å; Y839-W893 VanDerWaalsContact CD1-CG 3.43Å; Y839-W893 HydrophobicContact CE1-CB 4.32Å; Y839-W893 AromaticContact CE1-CD1 3.91Å; Y839-W893 HydrophobicContact CE1-CG 4.07Å; Y839-W893 HydrophobicContact CG-CB 3.89Å; Y839-W893 HydrophobicContact CG-CG 4.22Å; I864-W893 HydrophobicContact CD1-CH2 4.39Å; I864-W893 HydrophobicContact CD1-CZ3 4.41Å; I864-W893 HydrophobicContact CG2-CH2 4.05Å; I864-W893 HydrophobicContact CG2-CZ3 4.1Å; N866-W893 WeakPolarHBondContact ND2-CZ3 3.49Å; I888-W893 HydrophobicContact CD1-CB 4.03Å; I888-W893 HydrophobicContact CD1-CE3 4.29Å; I888-W893 HydrophobicContact CG1-CB 4.48Å; S889-W893 PolarHBondContact O-N 3.18Å; E890-W893 PolarHBondContact O-N 2.76Å; W893-F895 VanDerWaalsContact C-N 3.3Å; W893-F895 PolarHBondContact O-N 3.22Å; W893-L896 PolarHBondContact O-N 2.83Å; W893-H897 HydrophobicContact CZ2-CB 4.46Å; W893-H897 AromaticContact CZ2-CD2 3.63Å; W893-H897 AromaticContact NE1-CG 3.91Å; W893-H897 WeakPolarHBondContact O-CB 3.42Å; W893-H897 PolarHBondContact O-N 3.27Å; W893-L905 HydrophobicContact CD2-CD1 3.98Å; W893-L905 HydrophobicContact CG-CD1 4.36Å; W893-L905 HydrophobicContact CH2-CD1 4.41Å; W893-L905 HydrophobicContact CZ2-CD1 3.64Å
894	N	92.6	Very high	90.4	Very high	79 Å²	79	37.8 Å²	37.8	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-37.3	-177.5	-75.5	-33.6	0	0	0	111.9	E890 E891 S898	E890-N894 VanDerWaalsContact CG-ND2 3.3Å; E890-N894 WeakPolarHBondContact CG-ND2 3.42Å; E890-N894 VanDerWaalsContact O-CB 3.27Å; E890-N894 WeakPolarHBondContact O-CB 3.45Å; E890-N894 VanDerWaalsContact O-CG 3.24Å; E890-N894 PolarHBondContact O-N 2.91Å; E890-N894 PolarHBondContact O-ND2 2.85Å; E890-N894 VanDerWaalsContact O-ND2 3.13Å; E891-N894 PolarHBondContact O-N 2.86Å; N894-S898 WeakPolarHBondContact O-CB 3.42Å; N894-S898 PolarHBondContact O-N 3.05Å; N894-S898 PolarHBondContact O-OG 2.91Å
895	F	93.6	Very high	90.3	Very high	24 Å²	24	39 Å²	39	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-58.2	171.9	160.9	-115.2	0	0	0	111.6	E818 L821 F822 L825 E891 W893 H897 S898 I899	E818-F895 HydrophobicContact CB-CZ 4.04Å; E818-F895 HydrophobicContact CG-CZ 4.07Å; L821-F895 HydrophobicContact CB-CE2 4.49Å; L821-F895 HydrophobicContact CB-CZ 4.43Å; L821-F895 HydrophobicContact CD2-CD2 3.6Å; L821-F895 HydrophobicContact CD2-CE2 3.63Å; L821-F895 HydrophobicContact CD2-CG 4.28Å; L821-F895 HydrophobicContact CD2-CZ 4.34Å; L821-F895 HydrophobicContact CG-CD2 4.27Å; L821-F895 HydrophobicContact CG-CE2 4.25Å; F822-F895 HydrophobicContact CB-CE1 4.34Å; L825-F895 HydrophobicContact CD1-CB 3.91Å; L825-F895 HydrophobicContact CD1-CD1 4.26Å; L825-F895 HydrophobicContact CD1-CG 4.19Å; E891-F895 WeakPolarHBondContact O-CB 3.25Å; E891-F895 PolarHBondContact O-N 2.74Å; W893-F895 VanDerWaalsContact C-N 3.3Å; W893-F895 PolarHBondContact O-N 3.22Å; F895-H897 PolarHBondContact O-N 3.09Å; F895-S898 PolarHBondContact O-N 3.24Å; F895-S898 PolarHBondContact O-OG 3.17Å; F895-I899 HydrophobicContact CD2-CD1 4.12Å; F895-I899 HydrophobicContact CE2-CD1 3.44Å; F895-I899 VanDerWaalsContact CE2-CD1 3.44Å; F895-I899 HydrophobicContact CZ-CD1 3.96Å; F895-I899 PolarHBondContact O-N 3.03Å
896	L	92.3	Very high	90.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-42.2	-178.3	-65.4	170.9	0	0	0	111.5	I841 W845 W849 I864 I888 T892 W893 S898 I899 Y900	I841-L896 HydrophobicContact CD1-CD1 3.87Å; W845-L896 HydrophobicContact CH2-CB 4.46Å; W845-L896 HydrophobicContact CH2-CD2 4.26Å; W845-L896 HydrophobicContact CZ3-CD1 4.24Å; W849-L896 HydrophobicContact CD2-CD2 4.32Å; W849-L896 HydrophobicContact CZ2-CD2 4.19Å; I864-L896 HydrophobicContact CD1-CB 4.1Å; I888-L896 HydrophobicContact CD1-CD1 4.31Å; T892-L896 HydrophobicContact CG2-CD1 4.35Å; T892-L896 WeakPolarHBondContact O-CG 3.17Å; T892-L896 PolarHBondContact O-N 2.88Å; T892-L896 VanDerWaalsContact O-N 3.1Å; W893-L896 PolarHBondContact O-N 2.83Å; L896-S898 VanDerWaalsContact C-N 3.33Å; L896-S898 PolarHBondContact O-N 2.62Å; L896-I899 PolarHBondContact O-N 3.15Å; L896-Y900 WeakPolarHBondContact O-CD2 3.43Å; L896-Y900 PolarHBondContact O-N 2.88Å
897	H	91.6	Very high	90.2	Very high	70 Å²	70	40.7 Å²	40.7	32%	0.324	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-33.2	178.2	-164.3	-102.3	0	0	0	112.5	I864 W893 F895 I899 G901 G902	I864-H897 HydrophobicContact CD1-CB 4.38Å; W893-H897 HydrophobicContact CZ2-CB 4.46Å; W893-H897 AromaticContact CZ2-CD2 3.63Å; W893-H897 AromaticContact NE1-CG 3.91Å; W893-H897 WeakPolarHBondContact O-CB 3.42Å; W893-H897 PolarHBondContact O-N 3.27Å; F895-H897 PolarHBondContact O-N 3.09Å; H897-I899 VanDerWaalsContact C-N 3.26Å; H897-I899 PolarHBondContact O-N 3.15Å; H897-G901 WeakPolarHBondContact O-CA 3.26Å; H897-G901 PolarHBondContact O-N 2.8Å; H897-G902 PolarHBondContact NE2-O 2.69Å
898	S	93.1	Very high	90	Very high	96 Å²	96	41.5 Å²	41.5	67%	0.671	24%	0.242	S	C	*	.	H	α-helix	trans	-66.6	-24.3	175.4	75.1	0	0	0	0	114.2	N894 F895 L896	N894-S898 WeakPolarHBondContact O-CB 3.42Å; N894-S898 PolarHBondContact O-N 3.05Å; N894-S898 PolarHBondContact O-OG 2.91Å; F895-S898 PolarHBondContact O-N 3.24Å; F895-S898 PolarHBondContact O-OG 3.17Å; L896-S898 VanDerWaalsContact C-N 3.33Å; L896-S898 PolarHBondContact O-N 2.62Å
899	I	91	Very high	89.4	Confident	71 Å²	71	50.8 Å²	50.8	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-94.3	-45.2	179.4	-63.4	178.7	0	0	0	111.3	E818 F895 L896 H897	E818-I899 HydrophobicContact CG-CD1 4Å; F895-I899 HydrophobicContact CD2-CD1 4.12Å; F895-I899 HydrophobicContact CE2-CD1 3.44Å; F895-I899 VanDerWaalsContact CE2-CD1 3.44Å; F895-I899 HydrophobicContact CZ-CD1 3.96Å; F895-I899 PolarHBondContact O-N 3.03Å; L896-I899 PolarHBondContact O-N 3.15Å; H897-I899 VanDerWaalsContact C-N 3.26Å; H897-I899 PolarHBondContact O-N 3.15Å
900	Y	92.8	Very high	88.2	Confident	27 Å²	27	54 Å²	54	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-106.2	-23.8	-169.2	-63	-77.3	0	0	0	113.8	R814 E818 W845 W849 P860 P861 P863 L896	R814-Y900 VanDerWaalsContact NH2-CZ 3.33Å; R814-Y900 PolarHBondContact NH2-OH 3.16Å; E818-Y900 VanDerWaalsContact CD-OH 3.27Å; E818-Y900 PolarHBondContact OE1-OH 3.14Å; E818-Y900 WeakPolarHBondContact OE2-CE2 3.2Å; E818-Y900 PolarHBondContact OE2-OH 3.06Å; W845-Y900 AromaticContact CH2-CD2 3.78Å; W845-Y900 HydrophobicContact CH2-CD2 3.78Å; W845-Y900 HydrophobicContact CH2-CE2 4.21Å; W845-Y900 HydrophobicContact CH2-CG 4.18Å; W845-Y900 HydrophobicContact CZ2-CD1 4.15Å; W845-Y900 AromaticContact CZ2-CD2 3.73Å; W845-Y900 HydrophobicContact CZ2-CD2 3.73Å; W845-Y900 HydrophobicContact CZ2-CE2 4.34Å; W845-Y900 AromaticContact CZ2-CG 3.64Å; W845-Y900 HydrophobicContact CZ2-CG 3.64Å; W849-Y900 AromaticContact CD1-CE2 3.63Å; W849-Y900 AromaticContact CD1-CZ 3.8Å; W849-Y900 AromaticContact NE1-CE2 3.87Å; P860-Y900 HydrophobicContact CB-CE1 4.34Å; P861-Y900 HydrophobicContact CG-CD1 3.94Å; P861-Y900 HydrophobicContact CG-CE1 3.47Å; P861-Y900 VanDerWaalsContact CG-CE1 3.47Å; P863-Y900 VanDerWaalsContact CA-O 3.29Å; P863-Y900 WeakPolarHBondContact CA-O 3.04Å; P863-Y900 WeakPolarHBondContact CB-O 3.39Å; L896-Y900 WeakPolarHBondContact O-CD2 3.43Å; L896-Y900 PolarHBondContact O-N 2.88Å
901	G	91	Very high	86.3	Confident	22 Å²	22	54.7 Å²	54.7	23%	0.227	31%	0.312	C	S	.	.			trans	61.4	-152.4	-172.2	0	0	0	0	0	112.7	I864 H897	I864-G901 WeakPolarHBondContact CB-O 3.4Å; I864-G901 WeakPolarHBondContact CG1-O 3.44Å; I864-G901 PolarHBondContact N-O 3.3Å; H897-G901 WeakPolarHBondContact O-CA 3.26Å; H897-G901 PolarHBondContact O-N 2.8Å
902	G	89.9	Confident	84.2	Confident	45 Å²	45	57 Å²	57	46%	0.464	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	91.8	-153.8	-179.4	0	0	0	0	0	113.7	I864 H897	I864-G902 CarbonylContact O-C 3.55Å; I864-G902 WeakPolarHBondContact O-CA 3.28Å; H897-G902 PolarHBondContact NE2-O 2.69Å
903	G	85.4	Confident	81.4	Confident	17 Å²	17	61.4 Å²	61.4	18%	0.175	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153	-159.9	-174.7	0	0	0	0	0	112.2	I864 N866	I864-G903 PolarHBondContact O-N 3.2Å; N866-G903 PolarHBondContact N-O 3.34Å
904	P	87.7	Confident	78.9	Confident	24 Å²	24	69.6 Å²	69.6	16%	0.156	40%	0.402	C	S	.	.			cis	-64.9	160	-7	28.2	-36.1	0	0	0	113	N866 S870 F877 V906	N866-P904 HydrophobicContact CB-CG 4.2Å; N866-P904 WeakPolarHBondContact CB-O 3.03Å; N866-P904 PolarHBondContact ND2-O 3.03Å; S870-P904 WeakPolarHBondContact OG-CG 3.46Å; F877-P904 HydrophobicContact CB-CB 4.07Å; F877-P904 HydrophobicContact CB-CG 4.34Å; F877-P904 HydrophobicContact CD1-CB 3.72Å; F877-P904 HydrophobicContact CD1-CG 3.62Å; F877-P904 HydrophobicContact CD2-CB 3.55Å; F877-P904 HydrophobicContact CD2-CG 4.38Å; F877-P904 HydrophobicContact CE1-CB 3.94Å; F877-P904 HydrophobicContact CE1-CG 3.9Å; F877-P904 HydrophobicContact CE2-CB 3.8Å; F877-P904 HydrophobicContact CG-CB 3.5Å; F877-P904 VanDerWaalsContact CG-CB 3.5Å; F877-P904 HydrophobicContact CG-CG 3.87Å; F877-P904 HydrophobicContact CZ-CB 3.98Å; F877-P904 HydrophobicContact CZ-CG 4.4Å; P904-V906 PolarHBondContact O-N 3.21Å
905	L	87.8	Confident	76.3	Confident	89 Å²	89	74.4 Å²	74.4	47%	0.466	42%	0.422	S	S	.	.			trans	-67.9	127.3	169.4	-174.5	67.5	0	0	0	109.5	Y839 F877 W893 T907	Y839-L905 HydrophobicContact CD1-CD1 3.78Å; Y839-L905 HydrophobicContact CE1-CD1 3.78Å; F877-L905 WeakPolarHBondContact CB-O 3.21Å; W893-L905 HydrophobicContact CD2-CD1 3.98Å; W893-L905 HydrophobicContact CG-CD1 4.36Å; W893-L905 HydrophobicContact CH2-CD1 4.41Å; W893-L905 HydrophobicContact CZ2-CD1 3.64Å; L905-T907 HydrophobicContact CG-CG2 4.37Å
906	V	87.8	Confident	73.4	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	46%	0.459	C	S	.	.			trans	-128.1	126.4	176.7	-178.8	0	0	0	0	108.4	C840 N866 F877 L879 P904	C840-V906 HydrophobicContact CB-CB 4.1Å; C840-V906 HydrophobicContact CB-CG1 3.88Å; C840-V906 PolarHBondContact N-O 3.07Å; N866-V906 HydrophobicContact CB-CG2 4.3Å; F877-V906 HydrophobicContact CB-CG2 4.29Å; L879-V906 HydrophobicContact CB-CG1 3.93Å; L879-V906 HydrophobicContact CD1-CG1 4.22Å; P904-V906 PolarHBondContact O-N 3.21Å
907	T	87.4	Confident	71	Confident	54 Å²	54	89.5 Å²	89.5	33%	0.331	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.1	-178.9	57.3	0	0	0	0	111.2	V837 I838 Y839 L905	V837-T907 HydrophobicContact CG1-CG2 3.91Å; I838-T907 CarbonylContact O-C 3.56Å; I838-T907 VanDerWaalsContact O-CA 3.27Å; I838-T907 WeakPolarHBondContact O-CA 3.18Å; Y839-T907 HydrophobicContact CD1-CG2 3.87Å; Y839-T907 HydrophobicContact CD2-CG2 4.26Å; Y839-T907 HydrophobicContact CE1-CG2 3.89Å; Y839-T907 HydrophobicContact CE2-CG2 4.19Å; Y839-T907 HydrophobicContact CG-CG2 4.06Å; L905-T907 HydrophobicContact CG-CG2 4.37Å
908	V	84.1	Confident	68.3	Low	51 Å²	51	95.1 Å²	95.1	31%	0.309	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	148.9	171.1	178.4	0	0	0	0	108.6	I838 L879	I838-V908 PolarHBondContact N-O 3.23Å; I838-V908 PolarHBondContact O-N 2.89Å; L879-V908 HydrophobicContact CB-CG2 4.11Å; L879-V908 HydrophobicContact CD2-CG2 4.15Å
909	R	76.9	Confident	65.7	Low	195 Å²	195	95.4 Å²	95.4	74%	0.736	53%	0.531	S	S	*	.			trans	-112.4	129.2	169.1	-69.5	-178.9	-180	166.4	-0.2	108.4	V837 S911	V837-R909 HydrophobicContact CG2-CG 4.46Å; R909-S911 PolarHBondContact O-N 3.07Å
910	P	65	Low	63.4	Low	70 Å²	70	94.7 Å²	94.7	46%	0.455	53%	0.532	S	S	.	.			trans	-62.3	131.5	173.8	24.8	-31.6	0	0	0	110	P835 V912	P835-P910 WeakPolarHBondContact O-CG 3.22Å; P910-V912 PolarHBondContact O-N 3.3Å
911	S	49.8	Very low	61	Low	103 Å²	103	101.3 Å²	101.3	72%	0.72	56%	0.564	S	S	*	*			trans	-81.1	116.1	178.4	49.8	0	0	0	0	110.3	R909 S913	R909-S911 PolarHBondContact O-N 3.07Å; S911-S913 PolarHBondContact O-N 3.09Å
912	V	45.3	Very low	58.8	Low	151 Å²	151	102.7 Å²	102.7	92%	0.915	57%	0.57	S	S	*	*			trans	-71.9	97.7	177.5	-176.6	0	0	0	0	110.2	P910	P910-V912 PolarHBondContact O-N 3.3Å
913	S	34	Very low	56.9	Low	95 Å²	95	103.4 Å²	103.4	66%	0.664	56%	0.562	S	S	*	*			trans	-138.6	130.8	169.7	47.9	0	0	0	0	109.6	S911	S911-S913 PolarHBondContact O-N 3.09Å
914	H	38.6	Very low	55	Low	178 Å²	178	107.9 Å²	107.9	82%	0.824	58%	0.578	S	S	*	*			trans	-65.5	140.1	179.3	-80.2	-95.9	0	0	0	111.9
915	Q	37.2	Very low	53.4	Low	180 Å²	180	110.5 Å²	110.5	84%	0.841	59%	0.587	S	S	*	*			trans	55.6	105.9	165.7	-60.9	-179.7	-93.5	0	0	116.6
916	E	33.6	Very low	52.1	Low	191 Å²	191	106.6 Å²	106.6	89%	0.893	57%	0.566	S	S	*	*				-158.4	171.3	94.4	-105.8	173.3	-177.1	0	0	110.7
917	V	41.9	Very low	50.3	Low	150 Å²	150	110.5 Å²	110.5	91%	0.909	59%	0.585	S	S	*	*			trans	-102.3	89.4	-173.6	-177.5	0	0	0	0	110
918	E	34.8	Very low	48.6	Very low	188 Å²	188	112.4 Å²	112.4	88%	0.879	60%	0.596	S	S	*	*			trans	-116.9	122.9	159.4	-71.1	-161.9	132	0	0	109.1
919	S	38.3	Very low	47.1	Very low	103 Å²	103	112.5 Å²	112.5	72%	0.72	59%	0.593	S	S	*	*			trans	-75.2	139.7	179.1	49.1	0	0	0	0	111.8	Q921	S919-Q921 PolarHBondContact O-N 3.35Å
920	S	41.5	Very low	45.9	Very low	55 Å²	55	105 Å²	105	39%	0.385	57%	0.569	S	S	.	*			trans	-72.7	85.9	-168.1	38.4	0	0	0	0	114.6	S922 E923 E924	S920-S922 PolarHBondContact O-N 3.3Å; S920-E923 WeakPolarHBondContact CB-OE2 3.27Å; S920-E923 PolarHBondContact O-N 3.24Å; S920-E923 PolarHBondContact OG-OE2 2.73Å; S920-E924 PolarHBondContact O-N 2.72Å
921	Q	42.5	Very low	44.9	Very low	167 Å²	167	110 Å²	110	78%	0.78	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	-14	175.7	-64.8	-176.6	-2.2	0	0	115.6	S919	S919-Q921 PolarHBondContact O-N 3.35Å
922	S	45.3	Very low	44.4	Very low	51 Å²	51	109.4 Å²	109.4	36%	0.357	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-26.6	175.9	55.8	0	0	0	0	114.4	Q887 S920	Q887-S922 PolarHBondContact NE2-OG 2.71Å; S920-S922 PolarHBondContact O-N 3.3Å
923	E	50.1	Low	44	Very low	60 Å²	60	110.2 Å²	110.2	28%	0.28	58%	0.579	S	S	.	*	H	α-helix	trans	-81.6	-42.9	176.5	-76.6	150.4	-153.9	0	0	110.3	Q887 S920 K925 I926 E927	Q887-E923 PolarHBondContact NE2-OE1 3.22Å; S920-E923 WeakPolarHBondContact CB-OE2 3.27Å; S920-E923 PolarHBondContact O-N 3.24Å; S920-E923 PolarHBondContact OG-OE2 2.73Å; E923-K925 PolarHBondContact O-N 2.96Å; E923-I926 PolarHBondContact O-N 2.72Å; E923-I926 VanDerWaalsContact O-N 3.14Å; E923-E927 PolarHBondContact O-N 3.44Å
924	E	46.2	Very low	44.5	Very low	111 Å²	111	111 Å²	111	52%	0.519	58%	0.575	S	S	.	*	H	α-helix	trans	-52.4	-27.9	171	-171.3	174.6	-143.8	0	0	112.1	S920 E927 V928	S920-E924 PolarHBondContact O-N 2.72Å; E924-E927 PolarHBondContact O-N 2.83Å; E924-V928 HydrophobicContact CG-CG2 4.05Å; E924-V928 WeakPolarHBondContact O-CB 3.48Å; E924-V928 VanDerWaalsContact O-CG2 3.23Å; E924-V928 WeakPolarHBondContact O-CG2 3.45Å; E924-V928 PolarHBondContact O-N 3Å
925	K	53.6	Low	44.8	Very low	79 Å²	79	107.4 Å²	107.4	34%	0.343	56%	0.562	S	S	.	*	H	α-helix	trans	-68.2	-40	179.8	-165	175.3	-172.6	177.6	0	114.1	D884 E923 E929	D884-K925 IonicContact OD1-NZ 2.87Å; D884-K925 PolarHBondContact OD1-NZ 3.07Å; D884-K925 IonicContact OD2-NZ 2.71Å; E923-K925 PolarHBondContact O-N 2.96Å; K925-E929 PolarHBondContact O-N 3.46Å
926	I	59.7	Low	45.2	Very low	7 Å²	7	103.4 Å²	103.4	4%	0.036	55%	0.546	C	S	.	.	H	α-helix	trans	-72.2	-40.4	173.1	-63.7	170	0	0	0	109.2	M843 F846 Q887 I888 E923 V928 E929 T930	M843-I926 HydrophobicContact SD-CG1 4.25Å; F846-I926 HydrophobicContact CE1-CG2 4.34Å; F846-I926 HydrophobicContact CZ-CG2 4.26Å; Q887-I926 WeakPolarHBondContact O-CD1 3.3Å; I888-I926 HydrophobicContact CG2-CD1 4.48Å; E923-I926 PolarHBondContact O-N 2.72Å; E923-I926 VanDerWaalsContact O-N 3.14Å; I926-V928 PolarHBondContact O-N 3.37Å; I926-E929 PolarHBondContact O-N 3.07Å; I926-T930 HydrophobicContact CG2-CG2 4.3Å; I926-T930 WeakPolarHBondContact O-CB 3.25Å; I926-T930 WeakPolarHBondContact O-CG2 3.32Å; I926-T930 PolarHBondContact O-N 2.93Å; I926-T930 PolarHBondContact O-OG1 3.36Å
927	E	50.6	Low	45.9	Very low	82 Å²	82	98.2 Å²	98.2	38%	0.383	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-46.1	179.3	-156.6	-171.4	-166.8	0	0	111	E923 E924 T930 R931	E923-E927 PolarHBondContact O-N 3.44Å; E924-E927 PolarHBondContact O-N 2.83Å; E927-T930 CarbonylContact O-C 3.57Å; E927-T930 PolarHBondContact O-N 3.33Å; E927-T930 PolarHBondContact O-OG1 3.08Å; E927-R931 WeakPolarHBondContact O-CB 3.45Å; E927-R931 PolarHBondContact O-N 3.18Å; E927-R931 IonicContact OE1-CZ 3.85Å; E927-R931 IonicContact OE1-NH1 3.79Å; E927-R931 PolarHBondContact OE1-NH1 2.75Å; E927-R931 IonicContact OE1-NH2 3.04Å; E927-R931 PolarHBondContact OE1-NH2 2.76Å; E927-R931 IonicContact OE2-CZ 3.15Å; E927-R931 IonicContact OE2-NH1 2.72Å; E927-R931 PolarHBondContact OE2-NH1 3.38Å; E927-R931 IonicContact OE2-NH2 2.81Å
928	V	52.6	Low	46.1	Very low	94 Å²	94	95 Å²	95	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-64	-41	179.4	167	0	0	0	0	113	E924 I926 T930	E924-V928 HydrophobicContact CG-CG2 4.05Å; E924-V928 WeakPolarHBondContact O-CB 3.48Å; E924-V928 VanDerWaalsContact O-CG2 3.23Å; E924-V928 WeakPolarHBondContact O-CG2 3.45Å; E924-V928 PolarHBondContact O-N 3Å; I926-V928 PolarHBondContact O-N 3.37Å; V928-T930 VanDerWaalsContact C-N 3.33Å
929	E	52.2	Low	46.9	Very low	52 Å²	52	88.8 Å²	88.8	24%	0.243	48%	0.477	C	S	.	.	H	α-helix	trans	-68.7	-32.6	175.2	-69.1	-175.2	-178.9	0	0	111.3	M843 R847 K854 K925 I926 S932	M843-E929 VanDerWaalsContact CE-OE2 3.3Å; M843-E929 WeakPolarHBondContact CE-OE2 3.38Å; R847-E929 IonicContact CZ-OE1 3.69Å; R847-E929 IonicContact CZ-OE2 3.71Å; R847-E929 IonicContact NE-OE1 3.1Å; R847-E929 PolarHBondContact NE-OE1 3.47Å; R847-E929 IonicContact NE-OE2 3.37Å; R847-E929 PolarHBondContact NE-OE2 2.88Å; R847-E929 VanDerWaalsContact NE-OE2 3.15Å; R847-E929 IonicContact NH2-OE1 3.96Å; R847-E929 PolarHBondContact NH2-OE1 2.84Å; R847-E929 IonicContact NH2-OE2 2.72Å; K854-E929 PolarHBondContact NZ-O 2.82Å; K854-E929 VanDerWaalsContact NZ-O 3.14Å; K925-E929 PolarHBondContact O-N 3.46Å; I926-E929 PolarHBondContact O-N 3.07Å; E929-S932 PolarHBondContact O-OG 3.31Å
930	T	50.8	Low	47.5	Very low	37 Å²	37	87.8 Å²	87.8	23%	0.227	46%	0.46	C	S	.	.	H	α-helix	trans	-88.8	-20.9	-179.4	56.5	0	0	0	0	116	I926 E927 V928 S932 V933	I926-T930 HydrophobicContact CG2-CG2 4.3Å; I926-T930 WeakPolarHBondContact O-CB 3.25Å; I926-T930 WeakPolarHBondContact O-CG2 3.32Å; I926-T930 PolarHBondContact O-N 2.93Å; I926-T930 PolarHBondContact O-OG1 3.36Å; E927-T930 CarbonylContact O-C 3.57Å; E927-T930 PolarHBondContact O-N 3.33Å; E927-T930 PolarHBondContact O-OG1 3.08Å; V928-T930 VanDerWaalsContact C-N 3.33Å; T930-S932 PolarHBondContact O-N 2.81Å; T930-V933 WeakPolarHBondContact O-CG2 3.23Å
931	R	45.3	Very low	48	Very low	176 Å²	176	90.3 Å²	90.3	66%	0.664	47%	0.465	S	S	*	.	S	Bend	trans	-70.8	2.7	178.9	-131.1	-177.3	-158.6	116.1	21.9	115.1	E927 V933	E927-R931 WeakPolarHBondContact O-CB 3.45Å; E927-R931 PolarHBondContact O-N 3.18Å; E927-R931 IonicContact OE1-CZ 3.85Å; E927-R931 IonicContact OE1-NH1 3.79Å; E927-R931 PolarHBondContact OE1-NH1 2.75Å; E927-R931 IonicContact OE1-NH2 3.04Å; E927-R931 PolarHBondContact OE1-NH2 2.76Å; E927-R931 IonicContact OE2-CZ 3.15Å; E927-R931 IonicContact OE2-NH1 2.72Å; E927-R931 PolarHBondContact OE2-NH1 3.38Å; E927-R931 IonicContact OE2-NH2 2.81Å; R931-V933 VanDerWaalsContact C-N 3.33Å; R931-V933 PolarHBondContact O-N 3.24Å
932	S	37.6	Very low	48.4	Very low	91 Å²	91	83.9 Å²	83.9	64%	0.636	44%	0.439	S	S	*	.			trans	-95.3	33.5	-176.7	57.7	0	0	0	0	113.2	E929 T930	E929-S932 PolarHBondContact O-OG 3.31Å; T930-S932 PolarHBondContact O-N 2.81Å
933	V	37.3	Very low	48.7	Very low	167 Å²	167	86.9 Å²	86.9	100%	1.012	45%	0.447	S	S	*	.			trans	-120	0	-173.3	176.2	0	0	0	0	110.4	T930 R931	T930-V933 WeakPolarHBondContact O-CG2 3.23Å; R931-V933 VanDerWaalsContact C-N 3.33Å; R931-V933 PolarHBondContact O-N 3.24Å

Retrieved 933 of 933 residues in 209.6 ms (Link to these results)

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