A0A077Z3Y9_TRITR Loading...

Phosphotransferase

Catalyzes the phosphorylation of various hexoses to hexose 6-phosphate.

AlphaFold DB , UniProt , Accession A0A077Z3Y9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 492 aa.

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(Predicted Aligned Error values between residue pairs)

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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	39.9	Very low	56.9	Low	238 Å²	238	85.7 Å²	85.7	100%	1.172	44%	0.443	S	S	*	.				0	105.8	0	-76.3	-170.1	-92.4	0	0	108
2	V	51	Low	55.2	Low	44 Å²	44	94.9 Å²	94.9	27%	0.267	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-84.2	120.9	168.4	-179.8	0	0	0	0	105.8	L8	V2-L8 HydrophobicContact CG1-CD2 4.18Å; V2-L8 HydrophobicContact CG2-CD2 4.4Å
3	N	50.3	Low	54.1	Low	108 Å²	108	100.8 Å²	100.8	58%	0.578	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-64.4	136.8	175.4	-82.3	-4	0	0	0	109.6	G5 K6	N3-G5 PolarHBondContact O-N 3.08Å; N3-K6 HydrophobicContact CB-CD 4.42Å; N3-K6 HydrophobicContact CB-CG 4.37Å; N3-K6 PolarHBondContact O-N 3.42Å
4	E	53.3	Low	53.5	Low	136 Å²	136	97.9 Å²	97.9	64%	0.636	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	135.1	172.6	-66.1	-176.9	153.9	0	0	109.9	K6 K47	E4-K6 PolarHBondContact O-N 3.48Å; E4-K47 IonicContact OE1-NZ 2.7Å; E4-K47 PolarHBondContact OE1-NZ 3.04Å
5	G	58.9	Low	53.4	Low	50 Å²	50	94.4 Å²	94.4	52%	0.515	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-13.5	-171.8	0	0	0	0	0	117.6	N3 D44	N3-G5 PolarHBondContact O-N 3.08Å; G5-D44 PolarHBondContact N-OD2 3.2Å
6	K	65.1	Low	52.8	Low	121 Å²	121	95.4 Å²	95.4	53%	0.526	50%	0.499	S	S	.	.	S	Bend	trans	-79.9	137	169.9	-76.2	-166.3	177.6	-172.4	0	110.6	N3 E4	N3-K6 HydrophobicContact CB-CD 4.42Å; N3-K6 HydrophobicContact CB-CG 4.37Å; N3-K6 PolarHBondContact O-N 3.42Å; E4-K6 PolarHBondContact O-N 3.48Å
7	R	74.7	Confident	52.9	Low	65 Å²	65	92.1 Å²	92.1	25%	0.245	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-59.1	139.7	170.2	-69.1	-66.1	-165.7	-154.8	-1.7	111.1	R9 K37 D38 D40 D45	R7-R9 VanDerWaalsContact C-N 3.33Å; R7-R9 CarbonylContact O-C 3.56Å; R7-R9 PolarHBondContact O-N 3.45Å; R7-K37 PolarHBondContact NE-O 3.43Å; R7-K37 PolarHBondContact NH2-O 2.83Å; R7-D38 IonicContact NH2-OD1 2.95Å; R7-D40 WeakPolarHBondContact CB-OD2 3.31Å; R7-D40 WeakPolarHBondContact CD-O 3.34Å; R7-D40 VanDerWaalsContact CD-OD2 3.26Å; R7-D40 WeakPolarHBondContact CD-OD2 3.49Å; R7-D40 WeakPolarHBondContact CG-OD2 3.4Å; R7-D40 PolarHBondContact NE-O 2.95Å; R7-D40 VanDerWaalsContact NE-O 3.11Å; R7-D40 IonicContact NE-OD2 2.79Å; R7-D40 PolarHBondContact NH1-O 2.9Å; R7-D45 IonicContact NH1-OD2 2.69Å; R7-D45 PolarHBondContact NH1-OD2 2.78Å
8	L	70.4	Confident	52.8	Low	16 Å²	16	94.6 Å²	94.6	8%	0.084	51%	0.505	C	S	.	.	S	Bend	trans	-67.5	-34.3	-170	-72.8	165.8	0	0	0	112.9	V2 L41 L46 Y413 L456	V2-L8 HydrophobicContact CG1-CD2 4.18Å; V2-L8 HydrophobicContact CG2-CD2 4.4Å; L8-L41 WeakPolarHBondContact CB-O 3.29Å; L8-L41 HydrophobicContact CD1-CB 4.17Å; L8-L41 WeakPolarHBondContact CD1-O 3.49Å; L8-L41 WeakPolarHBondContact CG-O 3.03Å; L8-L41 PolarHBondContact N-O 3.27Å; L8-L46 HydrophobicContact CD1-CD1 3.37Å; L8-L46 HydrophobicContact CD1-CG 3.93Å; L8-Y413 HydrophobicContact CB-CE2 4.13Å; L8-Y413 HydrophobicContact CD1-CD2 3.94Å; L8-Y413 HydrophobicContact CD1-CE2 4.36Å; L8-L456 HydrophobicContact CD2-CD2 3.48Å; L8-L456 VanDerWaalsContact CD2-CD2 3.48Å
9	R	68.6	Low	53.2	Low	46 Å²	46	92.4 Å²	92.4	17%	0.174	51%	0.508	C	S	.	.	S	Bend	trans	-84.2	117	162.5	-83.9	178.4	177.3	-134.3	-6.5	106.8	R7 F11 A405 S409 R449	R7-R9 VanDerWaalsContact C-N 3.33Å; R7-R9 CarbonylContact O-C 3.56Å; R7-R9 PolarHBondContact O-N 3.45Å; R9-F11 HydrophobicContact CB-CD2 3.91Å; R9-F11 HydrophobicContact CB-CE2 3.16Å; R9-F11 HydrophobicContact CB-CZ 3.71Å; R9-F11 HydrophobicContact CG-CE2 4.36Å; R9-F11 WeakPolarHBondContact O-CD2 3.29Å; R9-F11 WeakPolarHBondContact O-CE2 3.41Å; R9-F11 PolarHBondContact O-N 2.74Å; R9-F11 VanDerWaalsContact O-N 3.14Å; R9-A405 VanDerWaalsContact CZ-C 3.48Å; R9-A405 VanDerWaalsContact CZ-O 3.22Å; R9-A405 VanDerWaalsContact NH1-CB 3.26Å; R9-A405 PolarHBondContact NH2-O 3.39Å; R9-S409 VanDerWaalsContact CZ-OG 3.31Å; R9-S409 PolarHBondContact NE-OG 2.87Å; R9-S409 PolarHBondContact NH2-OG 3.45Å; R9-R449 VanDerWaalsContact NH2-CZ 3.32Å
10	T	49.7	Very low	54.1	Low	90 Å²	90	88.6 Å²	88.6	55%	0.552	49%	0.486	S	S	*	.			trans	-77.5	94	166.5	30.6	0	0	0	0	108.6	E12 K13	T10-E12 PolarHBondContact O-N 3.32Å; T10-K13 PolarHBondContact O-N 2.91Å
11	F	44	Very low	55.1	Low	29 Å²	29	88.7 Å²	88.7	13%	0.127	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-63.4	-18.4	-172.8	-76.4	-106.9	0	0	0	114.4	R9 K13 Y33 D40 H402 L406	R9-F11 HydrophobicContact CB-CD2 3.91Å; R9-F11 HydrophobicContact CB-CE2 3.16Å; R9-F11 HydrophobicContact CB-CZ 3.71Å; R9-F11 HydrophobicContact CG-CE2 4.36Å; R9-F11 WeakPolarHBondContact O-CD2 3.29Å; R9-F11 WeakPolarHBondContact O-CE2 3.41Å; R9-F11 PolarHBondContact O-N 2.74Å; R9-F11 VanDerWaalsContact O-N 3.14Å; F11-K13 PolarHBondContact O-N 3.21Å; F11-K13 VanDerWaalsContact O-N 3.16Å; F11-Y33 HydrophobicContact CB-CE2 4.24Å; F11-Y33 AromaticContact CD1-CD2 3.99Å; F11-Y33 HydrophobicContact CD1-CD2 3.99Å; F11-Y33 AromaticContact CD1-CE2 3.87Å; F11-Y33 HydrophobicContact CD1-CE2 3.87Å; F11-Y33 HydrophobicContact CD2-CE2 4.09Å; F11-Y33 HydrophobicContact CE1-CD2 4.48Å; F11-Y33 HydrophobicContact CE1-CE2 4.3Å; F11-Y33 HydrophobicContact CG-CD2 4.29Å; F11-Y33 AromaticContact CG-CE2 3.78Å; F11-Y33 HydrophobicContact CG-CE2 3.78Å; F11-D40 WeakPolarHBondContact CD2-OD2 3.46Å; F11-D40 HydrophobicContact CE2-CB 3.94Å; F11-D40 WeakPolarHBondContact CE2-OD1 3.22Å; F11-D40 WeakPolarHBondContact CE2-OD2 3.21Å; F11-D40 HydrophobicContact CZ-CB 3.9Å; F11-H402 AromaticContact CD1-CE1 3.4Å; F11-H402 VanDerWaalsContact CD1-CE1 3.4Å; F11-H402 WeakPolarHBondContact CD1-CE1 3.4Å; F11-H402 AromaticContact CD1-NE2 3.67Å; F11-H402 AromaticContact CE1-CE1 3.19Å; F11-H402 WeakPolarHBondContact CE1-CE1 3.28Å; F11-H402 AromaticContact CE1-NE2 3.19Å; F11-H402 WeakPolarHBondContact CE1-NE2 3.44Å; F11-L406 HydrophobicContact CZ-CD1 3.97Å
12	E	37.1	Very low	56.8	Low	196 Å²	196	84.6 Å²	84.6	92%	0.916	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-67.9	-12.3	178.7	-69.3	176.9	164.5	0	0	113.4	T10	T10-E12 PolarHBondContact O-N 3.32Å
13	K	41.1	Very low	58.2	Low	171 Å²	171	85.5 Å²	85.5	74%	0.743	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-113.4	-2	-177.1	-69.1	-170.2	176.4	-174.1	0	115.7	T10 F11 P16	T10-K13 PolarHBondContact O-N 2.91Å; F11-K13 PolarHBondContact O-N 3.21Å; F11-K13 VanDerWaalsContact O-N 3.16Å; K13-P16 VanDerWaalsContact O-CD 3.3Å; K13-P16 WeakPolarHBondContact O-CD 3.4Å
14	A	45.8	Very low	59.6	Low	61 Å²	61	80.7 Å²	80.7	50%	0.504	45%	0.446	S	S	.	.	S	Bend	trans	-106.5	11.8	-167.1	0	0	0	0	0	116.2
15	L	51.4	Low	60.7	Low	45 Å²	45	77.8 Å²	77.8	24%	0.236	44%	0.435	C	S	.	.			trans	-135.9	57.3	161.2	-76.3	172.2	0	0	0	112.9	N17 L20 F24 W29 A398	L15-N17 VanDerWaalsContact C-N 3.26Å; L15-N17 PolarHBondContact O-N 3.14Å; L15-L20 HydrophobicContact CB-CD1 4.06Å; L15-L20 HydrophobicContact CD2-CD1 3.94Å; L15-L20 HydrophobicContact CG-CD1 4.41Å; L15-F24 HydrophobicContact CD1-CE1 4.39Å; L15-W29 HydrophobicContact CD1-CD2 4.12Å; L15-W29 HydrophobicContact CD1-CE3 4Å; L15-W29 HydrophobicContact CD1-CH2 3.47Å; L15-W29 VanDerWaalsContact CD1-CH2 3.47Å; L15-W29 HydrophobicContact CD1-CZ2 3.66Å; L15-W29 HydrophobicContact CD1-CZ3 3.67Å; L15-A398 HydrophobicContact CD2-CB 4.16Å
16	P	43.3	Very low	61.6	Low	110 Å²	110	80.7 Å²	80.7	71%	0.714	44%	0.438	S	S	*	.			trans	-88.3	74.9	158.7	34.1	-23.4	0	0	0	107.4	K13	K13-P16 VanDerWaalsContact O-CD 3.3Å; K13-P16 WeakPolarHBondContact O-CD 3.4Å
17	N	55.3	Low	62.6	Low	39 Å²	39	79.9 Å²	79.9	21%	0.209	44%	0.44	C	S	.	.			trans	-100.2	117	162.3	-167.1	-18	0	0	0	107	L15 G19 L20	L15-N17 VanDerWaalsContact C-N 3.26Å; L15-N17 PolarHBondContact O-N 3.14Å; N17-G19 PolarHBondContact O-N 3.07Å; N17-L20 HydrophobicContact CB-CD1 3.94Å; N17-L20 HydrophobicContact CB-CG 4.12Å; N17-L20 PolarHBondContact O-N 3.4Å
18	P	50.6	Low	63.3	Low	137 Å²	137	79.3 Å²	79.3	89%	0.89	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-5.3	-176.5	21.6	-32.4	0	0	0	114.8
19	G	61.1	Low	64.1	Low	54 Å²	54	80.3 Å²	80.3	56%	0.557	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	3.3	174.2	0	0	0	0	0	116.2	N17	N17-G19 PolarHBondContact O-N 3.07Å
20	L	69.7	Low	65.2	Low	16 Å²	16	81.3 Å²	81.3	8%	0.084	45%	0.453	C	S	.	.	S	Bend	trans	-86.3	126.4	177.7	-68.4	169	0	0	0	110.8	L15 N17 F24 I25 A398	L15-L20 HydrophobicContact CB-CD1 4.06Å; L15-L20 HydrophobicContact CD2-CD1 3.94Å; L15-L20 HydrophobicContact CG-CD1 4.41Å; N17-L20 HydrophobicContact CB-CD1 3.94Å; N17-L20 HydrophobicContact CB-CG 4.12Å; N17-L20 PolarHBondContact O-N 3.4Å; L20-F24 HydrophobicContact CB-CD1 4.4Å; L20-F24 HydrophobicContact CD1-CE1 4.34Å; L20-F24 HydrophobicContact CD2-CD1 4.21Å; L20-F24 HydrophobicContact CD2-CE1 4.17Å; L20-I25 HydrophobicContact CB-CD1 4.39Å; L20-A398 HydrophobicContact CD1-CB 4.45Å; L20-A398 HydrophobicContact CD2-CB 3.84Å
21	D	75.9	Confident	67.2	Low	91 Å²	91	82.9 Å²	82.9	49%	0.487	45%	0.452	S	S	.	.			trans	-60	135.3	176.9	177	12.3	0	0	0	111.6	S23 F24 I25	D21-S23 VanDerWaalsContact CG-OG 3.3Å; D21-S23 PolarHBondContact O-N 3.36Å; D21-S23 PolarHBondContact OD1-N 3.16Å; D21-S23 WeakPolarHBondContact OD2-CB 3.46Å; D21-S23 PolarHBondContact OD2-OG 3.47Å; D21-F24 WeakPolarHBondContact O-CB 3.47Å; D21-F24 PolarHBondContact O-N 3.07Å; D21-I25 PolarHBondContact O-N 2.99Å
22	E	76.1	Confident	69.6	Low	152 Å²	152	81.5 Å²	81.5	71%	0.71	45%	0.446	S	S	*	.	H	α-helix	trans	-53.9	-37.8	173.6	-71.8	-177	170.1	0	0	111.3	F24 I25 D26	E22-F24 PolarHBondContact O-N 2.9Å; E22-I25 PolarHBondContact O-N 2.84Å; E22-I25 VanDerWaalsContact O-N 3.1Å; E22-D26 PolarHBondContact O-N 2.83Å
23	S	80	Confident	72.2	Confident	62 Å²	62	75.5 Å²	75.5	43%	0.434	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-34.6	179.3	92	0	0	0	0	112.4	D21 N27	D21-S23 VanDerWaalsContact CG-OG 3.3Å; D21-S23 PolarHBondContact O-N 3.36Å; D21-S23 PolarHBondContact OD1-N 3.16Å; D21-S23 WeakPolarHBondContact OD2-CB 3.46Å; D21-S23 PolarHBondContact OD2-OG 3.47Å; S23-N27 VanDerWaalsContact O-CB 3.29Å; S23-N27 WeakPolarHBondContact O-CB 3.2Å; S23-N27 PolarHBondContact O-N 3.39Å; S23-N27 VanDerWaalsContact O-N 3.1Å; S23-N27 PolarHBondContact O-ND2 3.27Å
24	F	80.4	Confident	74.6	Confident	7 Å²	7	74.8 Å²	74.8	3%	0.031	41%	0.412	C	S	.	.	I	π-helix	trans	-68.3	-47.9	174.5	161.4	-107.1	0	0	0	111	L15 L20 D21 E22 D26 R28 W29 T395 V399	L15-F24 HydrophobicContact CD1-CE1 4.39Å; L20-F24 HydrophobicContact CB-CD1 4.4Å; L20-F24 HydrophobicContact CD1-CE1 4.34Å; L20-F24 HydrophobicContact CD2-CD1 4.21Å; L20-F24 HydrophobicContact CD2-CE1 4.17Å; D21-F24 WeakPolarHBondContact O-CB 3.47Å; D21-F24 PolarHBondContact O-N 3.07Å; E22-F24 PolarHBondContact O-N 2.9Å; F24-D26 VanDerWaalsContact C-N 3.31Å; F24-D26 PolarHBondContact O-N 3.29Å; F24-R28 HydrophobicContact CD2-CB 3.76Å; F24-R28 HydrophobicContact CD2-CG 3.81Å; F24-R28 HydrophobicContact CE2-CB 4.36Å; F24-R28 HydrophobicContact CE2-CG 4.04Å; F24-R28 PolarHBondContact O-N 3.49Å; F24-W29 HydrophobicContact CE1-CB 4.42Å; F24-W29 HydrophobicContact CE1-CE3 4.27Å; F24-W29 HydrophobicContact CE2-CB 4.33Å; F24-W29 HydrophobicContact CE2-CE3 4.12Å; F24-W29 HydrophobicContact CZ-CB 4.2Å; F24-W29 HydrophobicContact CZ-CD2 4.25Å; F24-W29 AromaticContact CZ-CE3 3.49Å; F24-W29 HydrophobicContact CZ-CE3 3.49Å; F24-W29 VanDerWaalsContact CZ-CE3 3.49Å; F24-W29 HydrophobicContact CZ-CZ3 4.14Å; F24-W29 PolarHBondContact O-N 3.16Å; F24-T395 HydrophobicContact CB-CG2 3.96Å; F24-T395 HydrophobicContact CD1-CG2 3.91Å; F24-T395 HydrophobicContact CD2-CG2 3.01Å; F24-T395 HydrophobicContact CE1-CG2 4.11Å; F24-T395 HydrophobicContact CE2-CG2 3.26Å; F24-T395 HydrophobicContact CG-CG2 3.34Å; F24-T395 HydrophobicContact CZ-CG2 3.8Å; F24-V399 HydrophobicContact CE2-CG2 3.67Å; F24-V399 HydrophobicContact CZ-CG2 3.73Å
25	I	76.1	Confident	76.9	Confident	76 Å²	76	73.3 Å²	73.3	39%	0.39	40%	0.396	S	S	.	.	I	π-helix	trans	-60	-44.1	-177.8	-64	173.7	0	0	0	110.3	L20 D21 E22 P30	L20-I25 HydrophobicContact CB-CD1 4.39Å; D21-I25 PolarHBondContact O-N 2.99Å; E22-I25 PolarHBondContact O-N 2.84Å; E22-I25 VanDerWaalsContact O-N 3.1Å; I25-P30 WeakPolarHBondContact O-CD 3.35Å
26	D	78	Confident	79	Confident	111 Å²	111	71.2 Å²	71.2	59%	0.594	39%	0.385	S	S	*	.	I	π-helix	trans	-84.8	-29.2	-172.9	-69.5	-18	0	0	0	113.6	E22 F24	E22-D26 PolarHBondContact O-N 2.83Å; F24-D26 VanDerWaalsContact C-N 3.31Å; F24-D26 PolarHBondContact O-N 3.29Å
27	N	85.2	Confident	81.3	Confident	104 Å²	104	70 Å²	70	56%	0.556	37%	0.368	S	S	*	.	I	π-helix	trans	-116.3	-42.5	-170.6	-60.1	-68	0	0	0	115.1	S23 K31	S23-N27 VanDerWaalsContact O-CB 3.29Å; S23-N27 WeakPolarHBondContact O-CB 3.2Å; S23-N27 PolarHBondContact O-N 3.39Å; S23-N27 VanDerWaalsContact O-N 3.1Å; S23-N27 PolarHBondContact O-ND2 3.27Å; N27-K31 WeakPolarHBondContact O-CE 3.48Å
28	R	88.5	Confident	83.1	Confident	52 Å²	52	72 Å²	72	20%	0.196	38%	0.379	C	S	.	.	I	π-helix	trans	-90.6	-44	-173.6	176.1	169.6	167.4	-159	-3.8	111.1	F24 K31 V32 L342 D396	F24-R28 HydrophobicContact CD2-CB 3.76Å; F24-R28 HydrophobicContact CD2-CG 3.81Å; F24-R28 HydrophobicContact CE2-CB 4.36Å; F24-R28 HydrophobicContact CE2-CG 4.04Å; F24-R28 PolarHBondContact O-N 3.49Å; R28-K31 WeakPolarHBondContact O-CB 3.37Å; R28-K31 PolarHBondContact O-N 2.93Å; R28-K31 VanDerWaalsContact O-N 3.17Å; R28-V32 HydrophobicContact CG-CG2 4.4Å; R28-V32 PolarHBondContact O-N 3.26Å; R28-L342 HydrophobicContact CG-CD2 4.18Å; R28-L342 PolarHBondContact NE-O 2.85Å; R28-L342 PolarHBondContact NH2-O 2.83Å; R28-D396 IonicContact CZ-OD1 3.04Å; R28-D396 IonicContact NH1-OD1 2.68Å; R28-D396 PolarHBondContact NH1-OD1 3.07Å; R28-D396 IonicContact NH2-OD1 3.26Å; R28-D396 PolarHBondContact NH2-OD1 3.35Å
29	W	89	Confident	85.2	Confident	37 Å²	37	65.5 Å²	65.5	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-43.6	-179.2	-175.1	-111.6	0	0	0	114.3	L15 F24 K31 V32 Y33 V399 H402	L15-W29 HydrophobicContact CD1-CD2 4.12Å; L15-W29 HydrophobicContact CD1-CE3 4Å; L15-W29 HydrophobicContact CD1-CH2 3.47Å; L15-W29 VanDerWaalsContact CD1-CH2 3.47Å; L15-W29 HydrophobicContact CD1-CZ2 3.66Å; L15-W29 HydrophobicContact CD1-CZ3 3.67Å; F24-W29 HydrophobicContact CE1-CB 4.42Å; F24-W29 HydrophobicContact CE1-CE3 4.27Å; F24-W29 HydrophobicContact CE2-CB 4.33Å; F24-W29 HydrophobicContact CE2-CE3 4.12Å; F24-W29 HydrophobicContact CZ-CB 4.2Å; F24-W29 HydrophobicContact CZ-CD2 4.25Å; F24-W29 AromaticContact CZ-CE3 3.49Å; F24-W29 HydrophobicContact CZ-CE3 3.49Å; F24-W29 VanDerWaalsContact CZ-CE3 3.49Å; F24-W29 HydrophobicContact CZ-CZ3 4.14Å; F24-W29 PolarHBondContact O-N 3.16Å; W29-K31 PolarHBondContact O-N 2.84Å; W29-V32 HydrophobicContact CE3-CB 4.24Å; W29-V32 HydrophobicContact CE3-CG1 4.25Å; W29-V32 HydrophobicContact CZ3-CG1 4.12Å; W29-V32 PolarHBondContact O-N 3.28Å; W29-V32 VanDerWaalsContact O-N 3.12Å; W29-Y33 WeakPolarHBondContact O-CB 3.38Å; W29-Y33 PolarHBondContact O-N 2.85Å; W29-V399 HydrophobicContact CE3-CG2 4.43Å; W29-V399 HydrophobicContact CZ3-CG2 4.19Å; W29-H402 HydrophobicContact CH2-CB 4.03Å; W29-H402 AromaticContact CH2-CD2 3.44Å; W29-H402 VanDerWaalsContact CH2-CD2 3.44Å; W29-H402 WeakPolarHBondContact CH2-CD2 3.37Å; W29-H402 AromaticContact CH2-CE1 3.64Å; W29-H402 AromaticContact CH2-CG 3.46Å; W29-H402 VanDerWaalsContact CH2-CG 3.46Å; W29-H402 AromaticContact CH2-ND1 3.62Å; W29-H402 AromaticContact CH2-NE2 3.55Å; W29-H402 AromaticContact CZ2-CE1 3.72Å; W29-H402 AromaticContact CZ2-NE2 3.8Å
30	P	90	Very high	86.7	Confident	67 Å²	67	63.1 Å²	63.1	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-61.4	-31.7	178.5	-25.3	37.1	0	0	0	112.7	I25 K34	I25-P30 WeakPolarHBondContact O-CD 3.35Å; P30-K34 WeakPolarHBondContact O-CB 3.34Å; P30-K34 PolarHBondContact O-N 3.31Å
31	K	93.5	Very high	87.9	Confident	124 Å²	124	62.5 Å²	62.5	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-71.7	-44.4	175.5	-61.3	176.8	-175.4	175	0	111.3	N27 R28 W29 K34 L35 L342	N27-K31 WeakPolarHBondContact O-CE 3.48Å; R28-K31 WeakPolarHBondContact O-CB 3.37Å; R28-K31 PolarHBondContact O-N 2.93Å; R28-K31 VanDerWaalsContact O-N 3.17Å; W29-K31 PolarHBondContact O-N 2.84Å; K31-K34 PolarHBondContact O-N 3.07Å; K31-L35 PolarHBondContact O-N 2.96Å; K31-L342 HydrophobicContact CB-CD1 3.94Å; K31-L342 HydrophobicContact CB-CD2 3.73Å; K31-L342 HydrophobicContact CD-CD2 3.95Å; K31-L342 HydrophobicContact CG-CD2 4.5Å
32	V	93.1	Very high	88.7	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.3	-53.8	173	174.4	0	0	0	0	109.7	R28 W29 K34 L35 V36 L337 L342 V399	R28-V32 HydrophobicContact CG-CG2 4.4Å; R28-V32 PolarHBondContact O-N 3.26Å; W29-V32 HydrophobicContact CE3-CB 4.24Å; W29-V32 HydrophobicContact CE3-CG1 4.25Å; W29-V32 HydrophobicContact CZ3-CG1 4.12Å; W29-V32 PolarHBondContact O-N 3.28Å; W29-V32 VanDerWaalsContact O-N 3.12Å; V32-K34 VanDerWaalsContact C-N 3.32Å; V32-K34 PolarHBondContact O-N 3Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-V36 WeakPolarHBondContact O-CG2 3.44Å; V32-V36 PolarHBondContact O-N 3.44Å; V32-L337 HydrophobicContact CG1-CD1 4.26Å; V32-L337 HydrophobicContact CG1-CD2 4.19Å; V32-L337 HydrophobicContact CG2-CD2 4.31Å; V32-L342 HydrophobicContact CG2-CB 4.05Å; V32-L342 HydrophobicContact CG2-CD1 4.25Å; V32-V399 HydrophobicContact CG1-CG1 4.17Å
33	Y	91.2	Very high	89.6	Confident	70 Å²	70	52.3 Å²	52.3	28%	0.275	26%	0.259	S	S	.	.	H	α-helix	trans	-55.2	-45.7	179.6	-179.3	-106.8	0	0	0	111.8	F11 W29 L35 V36 K37	F11-Y33 HydrophobicContact CB-CE2 4.24Å; F11-Y33 AromaticContact CD1-CD2 3.99Å; F11-Y33 HydrophobicContact CD1-CD2 3.99Å; F11-Y33 AromaticContact CD1-CE2 3.87Å; F11-Y33 HydrophobicContact CD1-CE2 3.87Å; F11-Y33 HydrophobicContact CD2-CE2 4.09Å; F11-Y33 HydrophobicContact CE1-CD2 4.48Å; F11-Y33 HydrophobicContact CE1-CE2 4.3Å; F11-Y33 HydrophobicContact CG-CD2 4.29Å; F11-Y33 AromaticContact CG-CE2 3.78Å; F11-Y33 HydrophobicContact CG-CE2 3.78Å; W29-Y33 WeakPolarHBondContact O-CB 3.38Å; W29-Y33 PolarHBondContact O-N 2.85Å; Y33-L35 PolarHBondContact O-N 3.05Å; Y33-L35 VanDerWaalsContact O-N 3.16Å; Y33-V36 PolarHBondContact O-N 3.49Å; Y33-V36 VanDerWaalsContact O-N 3.08Å; Y33-K37 HydrophobicContact CD1-CB 4.34Å; Y33-K37 HydrophobicContact CD2-CB 4.38Å; Y33-K37 HydrophobicContact CE1-CB 3.93Å; Y33-K37 HydrophobicContact CE2-CB 3.97Å; Y33-K37 VanDerWaalsContact O-CB 3.26Å; Y33-K37 WeakPolarHBondContact O-CB 3.12Å; Y33-K37 PolarHBondContact O-N 3.4Å
34	K	92.3	Very high	90.4	Very high	156 Å²	156	52.5 Å²	52.5	68%	0.678	26%	0.255	S	S	*	.	H	α-helix	trans	-55.7	-34.3	177.7	-176	179.9	177.9	-176.9	0	113	P30 K31 V32	P30-K34 WeakPolarHBondContact O-CB 3.34Å; P30-K34 PolarHBondContact O-N 3.31Å; K31-K34 PolarHBondContact O-N 3.07Å; V32-K34 VanDerWaalsContact C-N 3.32Å; V32-K34 PolarHBondContact O-N 3Å
35	L	95	Very high	91.2	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-80.2	-24.2	-179.6	-66.5	174.7	0	0	0	113.6	K31 V32 Y33 R300 Y301 L337 N340 L342	K31-L35 PolarHBondContact O-N 2.96Å; V32-L35 PolarHBondContact O-N 3.47Å; Y33-L35 PolarHBondContact O-N 3.05Å; Y33-L35 VanDerWaalsContact O-N 3.16Å; L35-R300 VanDerWaalsContact CD2-NH2 3.29Å; L35-R300 PolarHBondContact O-NH2 3.17Å; L35-Y301 PolarHBondContact O-OH 2.98Å; L35-L337 HydrophobicContact CB-CD2 4.47Å; L35-L337 HydrophobicContact CD1-CD2 3.79Å; L35-N340 HydrophobicContact CD1-CB 4.24Å; L35-L342 HydrophobicContact CD1-CD1 3.51Å
36	V	94.4	Very high	92.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-117.9	-7.8	-170	-54.4	0	0	0	0	114.1	V32 Y33 D38 L39 I333 I403 L406	V32-V36 WeakPolarHBondContact O-CG2 3.44Å; V32-V36 PolarHBondContact O-N 3.44Å; Y33-V36 PolarHBondContact O-N 3.49Å; Y33-V36 VanDerWaalsContact O-N 3.08Å; V36-D38 PolarHBondContact O-N 2.87Å; V36-L39 HydrophobicContact CB-CD1 4.1Å; V36-L39 WeakPolarHBondContact O-CB 3.34Å; V36-L39 PolarHBondContact O-N 3.03Å; V36-I333 HydrophobicContact CG1-CG2 3.78Å; V36-I403 HydrophobicContact CB-CD1 4.26Å; V36-I403 HydrophobicContact CG1-CD1 3.81Å; V36-I403 HydrophobicContact CG2-CD1 4.17Å; V36-L406 HydrophobicContact CB-CD2 3.91Å; V36-L406 HydrophobicContact CG2-CD2 3.84Å
37	K	92	Very high	93.1	Very high	85 Å²	85	48 Å²	48	37%	0.37	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.1	-178.1	66.5	172.6	-171.2	171.2	0	115.5	R7 Y33	R7-K37 PolarHBondContact NE-O 3.43Å; R7-K37 PolarHBondContact NH2-O 2.83Å; Y33-K37 HydrophobicContact CD1-CB 4.34Å; Y33-K37 HydrophobicContact CD2-CB 4.38Å; Y33-K37 HydrophobicContact CE1-CB 3.93Å; Y33-K37 HydrophobicContact CE2-CB 3.97Å; Y33-K37 VanDerWaalsContact O-CB 3.26Å; Y33-K37 WeakPolarHBondContact O-CB 3.12Å; Y33-K37 PolarHBondContact O-N 3.4Å
38	D	92.3	Very high	93.7	Very high	80 Å²	80	45.2 Å²	45.2	43%	0.428	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-14.7	179.6	-61.2	-26.7	0	0	0	112.4	R7 V36 T299	R7-D38 IonicContact NH2-OD1 2.95Å; V36-D38 PolarHBondContact O-N 2.87Å; D38-T299 HydrophobicContact CB-CG2 4.08Å
39	L	95.2	Very high	94.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-75.4	-19.6	170.7	-65.7	162.5	0	0	0	111.9	V36 T299 Y301 I333 L406 R410	V36-L39 HydrophobicContact CB-CD1 4.1Å; V36-L39 WeakPolarHBondContact O-CB 3.34Å; V36-L39 PolarHBondContact O-N 3.03Å; L39-T299 HydrophobicContact CD2-CG2 3.87Å; L39-T299 HydrophobicContact CG-CG2 4.24Å; L39-Y301 HydrophobicContact CD1-CD2 4.23Å; L39-Y301 HydrophobicContact CD1-CE2 4.3Å; L39-Y301 HydrophobicContact CD2-CD2 4.41Å; L39-Y301 HydrophobicContact CG-CD2 4.43Å; L39-I333 HydrophobicContact CD1-CD1 3.41Å; L39-I333 VanDerWaalsContact CD1-CD1 3.41Å; L39-I333 HydrophobicContact CD1-CG1 4.17Å; L39-I333 HydrophobicContact CD2-CD1 4.47Å; L39-L406 HydrophobicContact CB-CD1 4.06Å; L39-L406 HydrophobicContact CB-CD2 3.85Å; L39-L406 HydrophobicContact CB-CG 3.78Å; L39-L406 HydrophobicContact CD1-CD2 3.9Å; L39-L406 HydrophobicContact CD1-CG 4.31Å; L39-R410 VanDerWaalsContact CD2-NH1 3.3Å; L39-R410 WeakPolarHBondContact O-CD 3.26Å; L39-R410 VanDerWaalsContact O-CG 3.31Å; L39-R410 WeakPolarHBondContact O-CG 3.34Å
40	D	92.5	Very high	94.6	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	21%	0.205	C	C	.	.	S	Bend	trans	-86.6	114.7	-178.6	176.1	28.4	0	0	0	109.3	R7 F11 L406	R7-D40 WeakPolarHBondContact CB-OD2 3.31Å; R7-D40 WeakPolarHBondContact CD-O 3.34Å; R7-D40 VanDerWaalsContact CD-OD2 3.26Å; R7-D40 WeakPolarHBondContact CD-OD2 3.49Å; R7-D40 WeakPolarHBondContact CG-OD2 3.4Å; R7-D40 PolarHBondContact NE-O 2.95Å; R7-D40 VanDerWaalsContact NE-O 3.11Å; R7-D40 IonicContact NE-OD2 2.79Å; R7-D40 PolarHBondContact NH1-O 2.9Å; F11-D40 WeakPolarHBondContact CD2-OD2 3.46Å; F11-D40 HydrophobicContact CE2-CB 3.94Å; F11-D40 WeakPolarHBondContact CE2-OD1 3.22Å; F11-D40 WeakPolarHBondContact CE2-OD2 3.21Å; F11-D40 HydrophobicContact CZ-CB 3.9Å; D40-L406 HydrophobicContact CB-CD1 3.89Å
41	L	94.2	Very high	95	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	22%	0.218	C	C	.	.			trans	-84.8	145.5	-172.6	-62	172.1	0	0	0	110.9	L8 D45 L46 I297 R410 L414	L8-L41 WeakPolarHBondContact CB-O 3.29Å; L8-L41 HydrophobicContact CD1-CB 4.17Å; L8-L41 WeakPolarHBondContact CD1-O 3.49Å; L8-L41 WeakPolarHBondContact CG-O 3.03Å; L8-L41 PolarHBondContact N-O 3.27Å; L41-D45 HydrophobicContact CB-CB 4.25Å; L41-D45 HydrophobicContact CD2-CB 3.96Å; L41-L46 HydrophobicContact CB-CD2 4.35Å; L41-L46 HydrophobicContact CD1-CD2 3.67Å; L41-I297 HydrophobicContact CD2-CB 4.46Å; L41-R410 HydrophobicContact CD1-CG 3.72Å; L41-R410 HydrophobicContact CG-CG 3.98Å; L41-L414 HydrophobicContact CD1-CD1 4.38Å; L41-L414 HydrophobicContact CD1-CD2 3.61Å; L41-L414 HydrophobicContact CD1-CG 3.68Å
42	T	94.2	Very high	95.2	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.098	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-86.7	168	164.2	64.4	0	0	0	0	110.5	D44 D45 L46	T42-D44 PolarHBondContact O-N 2.95Å; T42-D44 PolarHBondContact OG1-N 3.4Å; T42-D45 WeakPolarHBondContact CB-OD2 3.17Å; T42-D45 PolarHBondContact N-OD2 3Å; T42-D45 PolarHBondContact O-N 3.5Å; T42-D45 PolarHBondContact OG1-N 3.27Å; T42-D45 VanDerWaalsContact OG1-N 3.07Å; T42-D45 PolarHBondContact OG1-OD2 3.42Å; T42-L46 PolarHBondContact O-N 3.12Å
43	L	95	Very high	95.5	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-36	168.5	177.7	55.2	0	0	0	111.8	D45 L46 K47 L456 L457	L43-D45 VanDerWaalsContact C-N 3.35Å; L43-L46 PolarHBondContact O-N 3Å; L43-K47 HydrophobicContact CD1-CG 4.32Å; L43-K47 HydrophobicContact CG-CD 4.27Å; L43-K47 HydrophobicContact CG-CG 4.46Å; L43-K47 WeakPolarHBondContact O-CG 3.38Å; L43-K47 PolarHBondContact O-N 3.36Å; L43-L456 HydrophobicContact CD1-CD1 4.44Å; L43-L456 HydrophobicContact CD1-CD2 3.74Å; L43-L456 HydrophobicContact CD1-CG 3.74Å; L43-L457 HydrophobicContact CD1-CD2 3.71Å
44	D	96.1	Very high	95.8	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	20%	0.195	S	C	.	.	H	α-helix	trans	-69.7	-34.4	-179.1	-60.5	-41.8	0	0	0	111.8	G5 T42 L46 K47 H48	G5-D44 PolarHBondContact N-OD2 3.2Å; T42-D44 PolarHBondContact O-N 2.95Å; T42-D44 PolarHBondContact OG1-N 3.4Å; D44-L46 VanDerWaalsContact C-N 3.34Å; D44-L46 PolarHBondContact O-N 3.36Å; D44-K47 PolarHBondContact O-N 3.35Å; D44-K47 IonicContact OD1-NZ 3.05Å; D44-H48 WeakPolarHBondContact O-CB 3.39Å; D44-H48 PolarHBondContact O-N 3.09Å
45	D	97	Very high	96.1	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.134	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-44.8	171.2	-63.2	-45.9	0	0	0	111.1	R7 L41 T42 L43 H48 V49 I297	R7-D45 IonicContact NH1-OD2 2.69Å; R7-D45 PolarHBondContact NH1-OD2 2.78Å; L41-D45 HydrophobicContact CB-CB 4.25Å; L41-D45 HydrophobicContact CD2-CB 3.96Å; T42-D45 WeakPolarHBondContact CB-OD2 3.17Å; T42-D45 PolarHBondContact N-OD2 3Å; T42-D45 PolarHBondContact O-N 3.5Å; T42-D45 PolarHBondContact OG1-N 3.27Å; T42-D45 VanDerWaalsContact OG1-N 3.07Å; T42-D45 PolarHBondContact OG1-OD2 3.42Å; L43-D45 VanDerWaalsContact C-N 3.35Å; D45-H48 WeakPolarHBondContact O-CB 3.19Å; D45-H48 PolarHBondContact O-N 3.01Å; D45-V49 WeakPolarHBondContact O-CG2 3.37Å; D45-V49 PolarHBondContact O-N 2.92Å; D45-I297 HydrophobicContact CB-CG2 3.94Å
46	L	97.8	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.4	-40.8	178.7	-63.5	-173	0	0	0	112.6	L8 L41 T42 L43 D44 H48 V49 M50 L414 A417 L457	L8-L46 HydrophobicContact CD1-CD1 3.37Å; L8-L46 HydrophobicContact CD1-CG 3.93Å; L41-L46 HydrophobicContact CB-CD2 4.35Å; L41-L46 HydrophobicContact CD1-CD2 3.67Å; T42-L46 PolarHBondContact O-N 3.12Å; L43-L46 PolarHBondContact O-N 3Å; D44-L46 VanDerWaalsContact C-N 3.34Å; D44-L46 PolarHBondContact O-N 3.36Å; L46-H48 VanDerWaalsContact C-N 3.28Å; L46-H48 PolarHBondContact O-N 3.21Å; L46-V49 PolarHBondContact O-N 2.9Å; L46-M50 PolarHBondContact O-N 3.18Å; L46-L414 HydrophobicContact CD2-CD2 4.39Å; L46-A417 HydrophobicContact CB-CB 4.37Å; L46-A417 HydrophobicContact CD2-CB 4.29Å; L46-L457 HydrophobicContact CB-CD1 3.79Å; L46-L457 HydrophobicContact CB-CD2 3.93Å; L46-L457 HydrophobicContact CB-CG 4.42Å; L46-L457 HydrophobicContact CD1-CD1 4.04Å
47	K	97.5	Very high	96.4	Very high	73 Å²	73	36.8 Å²	36.8	32%	0.317	18%	0.175	S	C	.	.	H	α-helix	trans	-61.2	-38.6	173.2	-73.8	174.4	178.8	170.1	0	111.2	E4 L43 D44 M50 K51 L457	E4-K47 IonicContact OE1-NZ 2.7Å; E4-K47 PolarHBondContact OE1-NZ 3.04Å; L43-K47 HydrophobicContact CD1-CG 4.32Å; L43-K47 HydrophobicContact CG-CD 4.27Å; L43-K47 HydrophobicContact CG-CG 4.46Å; L43-K47 WeakPolarHBondContact O-CG 3.38Å; L43-K47 PolarHBondContact O-N 3.36Å; D44-K47 PolarHBondContact O-N 3.35Å; D44-K47 IonicContact OD1-NZ 3.05Å; K47-M50 PolarHBondContact O-N 2.95Å; K47-K51 WeakPolarHBondContact O-CB 3.49Å; K47-K51 PolarHBondContact O-N 3.49Å; K47-L457 HydrophobicContact CG-CD2 4.05Å
48	H	97.4	Very high	96.7	Very high	47 Å²	47	36.7 Å²	36.7	22%	0.218	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-49	174.2	177.1	77.9	0	0	0	111.6	D44 D45 L46 M50 K51 V52 C293 Q296	D44-H48 WeakPolarHBondContact O-CB 3.39Å; D44-H48 PolarHBondContact O-N 3.09Å; D45-H48 WeakPolarHBondContact O-CB 3.19Å; D45-H48 PolarHBondContact O-N 3.01Å; L46-H48 VanDerWaalsContact C-N 3.28Å; L46-H48 PolarHBondContact O-N 3.21Å; H48-M50 VanDerWaalsContact C-N 3.3Å; H48-M50 PolarHBondContact O-N 3.49Å; H48-K51 PolarHBondContact O-N 2.87Å; H48-V52 WeakPolarHBondContact NE2-CG2 3.31Å; H48-V52 WeakPolarHBondContact O-CB 3.37Å; H48-V52 WeakPolarHBondContact O-CG2 3.19Å; H48-V52 PolarHBondContact O-N 3.39Å; H48-C293 PolarHBondContact NE2-O 3.43Å; H48-Q296 PolarHBondContact CD2-NE2 2.79Å; H48-Q296 PolarHBondContact ND1-NE2 2.85Å; H48-Q296 PolarHBondContact NE2-NE2 3.44Å
49	V	98.3	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-45.8	176.2	173.3	0	0	0	0	111	D45 L46 K51 V52 M53 L294 I297 F317 L414 A417	D45-V49 WeakPolarHBondContact O-CG2 3.37Å; D45-V49 PolarHBondContact O-N 2.92Å; L46-V49 PolarHBondContact O-N 2.9Å; V49-K51 PolarHBondContact O-N 3.06Å; V49-V52 PolarHBondContact O-N 3.1Å; V49-M53 VanDerWaalsContact O-CB 3.31Å; V49-M53 WeakPolarHBondContact O-CB 3.38Å; V49-M53 PolarHBondContact O-N 3.46Å; V49-L294 HydrophobicContact CG2-CD2 4.14Å; V49-I297 HydrophobicContact CG2-CD1 3.49Å; V49-I297 VanDerWaalsContact CG2-CD1 3.49Å; V49-F317 HydrophobicContact CG1-CE2 4.07Å; V49-F317 HydrophobicContact CG1-CZ 4.35Å; V49-L414 HydrophobicContact CG2-CD2 3.82Å; V49-A417 HydrophobicContact CB-CB 4.24Å; V49-A417 HydrophobicContact CG1-CB 4.02Å
50	M	97.7	Very high	97.1	Very high	38 Å²	38	37.5 Å²	37.5	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-44.2	177.9	-173.4	175.1	68.6	0	0	112	L46 K47 H48 M53 S54 A420 C421 N424 L457	L46-M50 PolarHBondContact O-N 3.18Å; K47-M50 PolarHBondContact O-N 2.95Å; H48-M50 VanDerWaalsContact C-N 3.3Å; H48-M50 PolarHBondContact O-N 3.49Å; M50-M53 PolarHBondContact O-N 3.09Å; M50-S54 PolarHBondContact O-N 3.23Å; M50-A420 HydrophobicContact SD-CB 4.2Å; M50-C421 HydrophobicContact CG-CB 3.74Å; M50-C421 PolarHBondContact O-SG 3.16Å; M50-N424 PolarHBondContact SD-ND2 3.23Å; M50-N424 VanDerWaalsContact SD-ND2 3.36Å; M50-L457 HydrophobicContact SD-CB 4.35Å
51	K	98	Very high	97.3	Very high	162 Å²	162	37.4 Å²	37.4	70%	0.704	18%	0.177	S	C	*	.	H	α-helix	trans	-63.7	-45.3	177.7	-177.6	-179.8	179	-179.1	0	111.9	K47 H48 V49 S54 R55	K47-K51 WeakPolarHBondContact O-CB 3.49Å; K47-K51 PolarHBondContact O-N 3.49Å; H48-K51 PolarHBondContact O-N 2.87Å; V49-K51 PolarHBondContact O-N 3.06Å; K51-S54 PolarHBondContact O-N 3.39Å; K51-R55 PolarHBondContact O-N 3.26Å; K51-R55 VanDerWaalsContact O-N 3.13Å
52	V	98.2	Very high	97.4	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.036	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-48	177.3	169.7	0	0	0	0	110.1	H48 V49 S54 R55 E56 L288 C293 L294	H48-V52 WeakPolarHBondContact NE2-CG2 3.31Å; H48-V52 WeakPolarHBondContact O-CB 3.37Å; H48-V52 WeakPolarHBondContact O-CG2 3.19Å; H48-V52 PolarHBondContact O-N 3.39Å; V49-V52 PolarHBondContact O-N 3.1Å; V52-S54 PolarHBondContact O-N 2.95Å; V52-R55 PolarHBondContact O-N 2.93Å; V52-E56 HydrophobicContact CG1-CG 4.29Å; V52-E56 WeakPolarHBondContact O-CG 3.49Å; V52-E56 PolarHBondContact O-N 2.66Å; V52-L288 HydrophobicContact CG1-CD1 4.13Å; V52-C293 HydrophobicContact CG1-CB 3.65Å; V52-C293 WeakPolarHBondContact CG1-SG 3.39Å; V52-L294 HydrophobicContact CB-CD2 4.35Å; V52-L294 HydrophobicContact CG1-CD2 4.05Å
53	M	98.5	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-45.2	178	-173.1	177.1	-69.2	0	0	111.8	V49 M50 R55 E56 I57 L71 M283 W285 L288 F317 G418 C421	V49-M53 VanDerWaalsContact O-CB 3.31Å; V49-M53 WeakPolarHBondContact O-CB 3.38Å; V49-M53 PolarHBondContact O-N 3.46Å; M50-M53 PolarHBondContact O-N 3.09Å; M53-R55 VanDerWaalsContact C-N 3.31Å; M53-R55 PolarHBondContact O-N 2.7Å; M53-E56 PolarHBondContact O-N 3.31Å; M53-I57 HydrophobicContact CG-CD1 4.07Å; M53-I57 HydrophobicContact CG-CG1 4.41Å; M53-I57 VanDerWaalsContact O-CG1 3.29Å; M53-I57 WeakPolarHBondContact O-CG1 3.16Å; M53-I57 PolarHBondContact O-N 3.02Å; M53-L71 HydrophobicContact CG-CD1 4.11Å; M53-M283 HydrophobicContact CG-CE 4.37Å; M53-M283 HydrophobicContact SD-CE 4Å; M53-W285 HydrophobicContact CE-CE3 4.18Å; M53-W285 HydrophobicContact SD-CE3 4.43Å; M53-L288 HydrophobicContact CB-CD2 4.1Å; M53-L288 HydrophobicContact CE-CD2 3.6Å; M53-L288 HydrophobicContact CG-CD2 4.4Å; M53-F317 HydrophobicContact CE-CE1 3.73Å; M53-F317 HydrophobicContact CE-CZ 3.82Å; M53-G418 WeakPolarHBondContact SD-CA 3.22Å; M53-C421 HydrophobicContact CG-CB 4.45Å; M53-C421 HydrophobicContact SD-CB 4.05Å
54	S	98.4	Very high	97.2	Very high	43 Å²	43	44.9 Å²	44.9	30%	0.301	22%	0.219	S	C	.	.	H	α-helix	trans	-57.6	-44.7	177.2	-171.7	0	0	0	0	111.9	M50 K51 V52 I57 D58 C421	M50-S54 PolarHBondContact O-N 3.23Å; K51-S54 PolarHBondContact O-N 3.39Å; V52-S54 PolarHBondContact O-N 2.95Å; S54-I57 WeakPolarHBondContact O-CB 3.39Å; S54-I57 PolarHBondContact O-N 3.14Å; S54-D58 PolarHBondContact O-N 2.85Å; S54-C421 PolarHBondContact N-SG 3.48Å; S54-C421 VanDerWaalsContact N-SG 3.44Å
55	R	98.2	Very high	96.9	Very high	110 Å²	110	46.6 Å²	46.6	42%	0.415	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-44.9	177.5	-176.9	-168.3	70.7	-164	1	111.5	K51 V52 M53 I57 D58 R59	K51-R55 PolarHBondContact O-N 3.26Å; K51-R55 VanDerWaalsContact O-N 3.13Å; V52-R55 PolarHBondContact O-N 2.93Å; M53-R55 VanDerWaalsContact C-N 3.31Å; M53-R55 PolarHBondContact O-N 2.7Å; R55-I57 VanDerWaalsContact C-N 3.29Å; R55-I57 PolarHBondContact O-N 3.4Å; R55-D58 PolarHBondContact O-N 2.87Å; R55-R59 WeakPolarHBondContact O-CG 3.23Å; R55-R59 PolarHBondContact O-N 3.32Å
56	E	98.3	Very high	96.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69	-28.2	179.6	-65.1	-51.4	126.6	0	0	112	V52 M53 R59 G60 S69 C70 L71 L288	V52-E56 HydrophobicContact CG1-CG 4.29Å; V52-E56 WeakPolarHBondContact O-CG 3.49Å; V52-E56 PolarHBondContact O-N 2.66Å; M53-E56 PolarHBondContact O-N 3.31Å; E56-R59 WeakPolarHBondContact OE1-CD 3.43Å; E56-R59 IonicContact OE1-NE 3.31Å; E56-R59 IonicContact OE1-NH1 3.83Å; E56-R59 IonicContact OE2-NE 2.7Å; E56-G60 WeakPolarHBondContact O-CA 3.48Å; E56-G60 PolarHBondContact O-N 3.05Å; E56-S69 PolarHBondContact O-OG 2.94Å; E56-S69 WeakPolarHBondContact OE2-CA 3.39Å; E56-S69 WeakPolarHBondContact OE2-CB 3.49Å; E56-S69 PolarHBondContact OE2-OG 3.41Å; E56-C70 PolarHBondContact OE2-N 3.31Å; E56-L71 HydrophobicContact CB-CB 4.21Å; E56-L71 HydrophobicContact CB-CD1 3.64Å; E56-L71 HydrophobicContact CB-CG 3.71Å; E56-L288 HydrophobicContact CB-CD1 4.07Å; E56-L288 HydrophobicContact CG-CD1 3.92Å
57	I	98.5	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-49.4	170	-72.9	167	0	0	0	110.2	M53 S54 R55 G60 L61 L71 M73 M283 L422	M53-I57 HydrophobicContact CG-CD1 4.07Å; M53-I57 HydrophobicContact CG-CG1 4.41Å; M53-I57 VanDerWaalsContact O-CG1 3.29Å; M53-I57 WeakPolarHBondContact O-CG1 3.16Å; M53-I57 PolarHBondContact O-N 3.02Å; S54-I57 WeakPolarHBondContact O-CB 3.39Å; S54-I57 PolarHBondContact O-N 3.14Å; R55-I57 VanDerWaalsContact C-N 3.29Å; R55-I57 PolarHBondContact O-N 3.4Å; I57-G60 PolarHBondContact O-N 3.08Å; I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 WeakPolarHBondContact O-CB 3.46Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 3.09Å; I57-L71 HydrophobicContact CG1-CD1 3.85Å; I57-M73 HydrophobicContact CB-CE 4.15Å; I57-M73 HydrophobicContact CB-SD 4.38Å; I57-M73 HydrophobicContact CG1-CE 3.94Å; I57-M73 HydrophobicContact CG1-SD 3.94Å; I57-M73 HydrophobicContact CG2-CE 3.6Å; I57-M73 HydrophobicContact CG2-SD 4.45Å; I57-M283 HydrophobicContact CD1-CE 3.83Å; I57-M283 HydrophobicContact CG1-CE 3.98Å; I57-L422 HydrophobicContact CD1-CD2 3.78Å
58	D	98.1	Very high	96.4	Very high	84 Å²	84	58.1 Å²	58.1	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-44.7	-179.7	-66.9	-32.7	0	0	0	111.5	S54 R55 G60 L61 S62 R425	S54-D58 PolarHBondContact O-N 2.85Å; R55-D58 PolarHBondContact O-N 2.87Å; D58-G60 VanDerWaalsContact C-N 3.31Å; D58-G60 PolarHBondContact O-N 3.26Å; D58-L61 PolarHBondContact O-N 3.32Å; D58-S62 PolarHBondContact O-N 3.49Å; D58-S62 VanDerWaalsContact O-N 3.15Å; D58-R425 IonicContact OD1-CZ 2.78Å; D58-R425 IonicContact OD1-NH1 3.35Å; D58-R425 PolarHBondContact OD1-NH1 3Å; D58-R425 IonicContact OD1-NH2 3.25Å; D58-R425 PolarHBondContact OD1-NH2 3.34Å; D58-R425 VanDerWaalsContact OD1-NH2 3.13Å; D58-R425 IonicContact OD2-NH1 2.71Å
59	R	97.8	Very high	96.4	Very high	91 Å²	91	57.5 Å²	57.5	34%	0.343	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-43.3	174.5	-68.5	174.3	71.2	144.4	8.6	111.4	R55 E56 L61 S62 V67 H68	R55-R59 WeakPolarHBondContact O-CG 3.23Å; R55-R59 PolarHBondContact O-N 3.32Å; E56-R59 WeakPolarHBondContact OE1-CD 3.43Å; E56-R59 IonicContact OE1-NE 3.31Å; E56-R59 IonicContact OE1-NH1 3.83Å; E56-R59 IonicContact OE2-NE 2.7Å; R59-L61 VanDerWaalsContact C-N 3.26Å; R59-L61 PolarHBondContact O-N 3.41Å; R59-S62 WeakPolarHBondContact O-CB 3.36Å; R59-S62 PolarHBondContact O-N 2.97Å; R59-V67 HydrophobicContact CB-CG1 3.59Å; R59-V67 HydrophobicContact CG-CG1 3.8Å; R59-H68 PolarHBondContact NE-O 2.91Å; R59-H68 PolarHBondContact NH2-O 3.06Å
60	G	97.2	Very high	96.2	Very high	7 Å²	7	58.3 Å²	58.3	7%	0.072	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-29.3	178.8	0	0	0	0	0	112.5	E56 I57 D58 L71 K254	E56-G60 WeakPolarHBondContact O-CA 3.48Å; E56-G60 PolarHBondContact O-N 3.05Å; I57-G60 PolarHBondContact O-N 3.08Å; D58-G60 VanDerWaalsContact C-N 3.31Å; D58-G60 PolarHBondContact O-N 3.26Å; G60-L71 WeakPolarHBondContact CA-O 3.49Å; G60-K254 WeakPolarHBondContact O-CE 3.32Å; G60-K254 PolarHBondContact O-NZ 2.75Å
61	L	97	Very high	96.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-87.3	-13.3	178.7	-71.7	171.6	0	0	0	114.6	I57 D58 R59 M73 E247 N251 V252 L253 K254 I281	I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 WeakPolarHBondContact O-CB 3.46Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 3.09Å; D58-L61 PolarHBondContact O-N 3.32Å; R59-L61 VanDerWaalsContact C-N 3.26Å; R59-L61 PolarHBondContact O-N 3.41Å; L61-M73 HydrophobicContact CD1-CE 4.32Å; L61-M73 HydrophobicContact CD2-CB 3.81Å; L61-M73 HydrophobicContact CD2-CE 4.35Å; L61-M73 HydrophobicContact CG-CB 4.01Å; L61-M73 HydrophobicContact CG-CE 4.2Å; L61-M73 HydrophobicContact CG-CG 4.29Å; L61-E247 HydrophobicContact CD1-CG 4.2Å; L61-N251 WeakPolarHBondContact CB-O 3.24Å; L61-V252 HydrophobicContact CD2-CG1 4.24Å; L61-V252 HydrophobicContact CD2-CG2 4.33Å; L61-L253 PolarHBondContact O-N 3.49Å; L61-K254 PolarHBondContact O-N 3.37Å; L61-I281 HydrophobicContact CD2-CD1 4.32Å; L61-I281 HydrophobicContact CD2-CG1 4.34Å; L61-I281 HydrophobicContact CD2-CG2 4.39Å
62	S	95.9	Very high	96	Very high	30 Å²	30	51.8 Å²	51.8	21%	0.21	27%	0.268	C	S	.	.			trans	-61.3	149.7	-178.1	-171.3	0	0	0	0	113.4	D58 R59 D64	D58-S62 PolarHBondContact O-N 3.49Å; D58-S62 VanDerWaalsContact O-N 3.15Å; R59-S62 WeakPolarHBondContact O-CB 3.36Å; R59-S62 PolarHBondContact O-N 2.97Å; S62-D64 WeakPolarHBondContact OG-CB 3.4Å; S62-D64 PolarHBondContact OG-N 2.93Å; S62-D64 VanDerWaalsContact OG-N 3.09Å
63	D	92.4	Very high	96	Very high	84 Å²	84	51.5 Å²	51.5	45%	0.449	27%	0.266	S	S	.	.			trans	-91.4	-6	167.2	53.1	-12.3	0	0	0	113.4	P65 L253	D63-P65 WeakPolarHBondContact O-CD 3.35Å; D63-L253 HydrophobicContact CB-CB 4.27Å
64	D	93.5	Very high	95.9	Very high	74 Å²	74	52.3 Å²	52.3	40%	0.396	27%	0.27	S	S	.	.			trans	-72	117.3	-179.3	-174.4	-18.5	0	0	0	110.6	S62 E66 V67	S62-D64 WeakPolarHBondContact OG-CB 3.4Å; S62-D64 PolarHBondContact OG-N 2.93Å; S62-D64 VanDerWaalsContact OG-N 3.09Å; D64-E66 PolarHBondContact O-N 3.4Å; D64-E66 WeakPolarHBondContact OD1-CB 3.47Å; D64-E66 PolarHBondContact OD1-N 3.42Å; D64-V67 HydrophobicContact CB-CB 4.08Å; D64-V67 HydrophobicContact CB-CG2 3.69Å; D64-V67 PolarHBondContact O-N 3.1Å
65	P	90	Very high	95.7	Very high	103 Å²	103	50.8 Å²	50.8	67%	0.669	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.4	-178.8	27.1	-35.1	0	0	0	113.9	D63 V67 H68	D63-P65 WeakPolarHBondContact O-CD 3.35Å; P65-V67 VanDerWaalsContact C-N 3.33Å; P65-H68 PolarHBondContact O-CE1 2.88Å; P65-H68 VanDerWaalsContact O-CE1 3.32Å
66	E	94.2	Very high	95.5	Very high	156 Å²	156	45.6 Å²	45.6	73%	0.729	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-15	176.7	-58.5	-61.8	132.9	0	0	112.1	D64 H68	D64-E66 PolarHBondContact O-N 3.4Å; D64-E66 WeakPolarHBondContact OD1-CB 3.47Å; D64-E66 PolarHBondContact OD1-N 3.42Å; E66-H68 PolarHBondContact O-N 2.87Å
67	V	93.8	Very high	95.2	Very high	46 Å²	46	47.6 Å²	47.6	28%	0.279	25%	0.248	S	C	.	.			trans	-87.2	104.9	178	177.4	0	0	0	0	109.7	R59 D64 P65	R59-V67 HydrophobicContact CB-CG1 3.59Å; R59-V67 HydrophobicContact CG-CG1 3.8Å; D64-V67 HydrophobicContact CB-CB 4.08Å; D64-V67 HydrophobicContact CB-CG2 3.69Å; D64-V67 PolarHBondContact O-N 3.1Å; P65-V67 VanDerWaalsContact C-N 3.33Å
68	H	93.3	Very high	94.9	Very high	137 Å²	137	47.9 Å²	47.9	63%	0.634	25%	0.25	S	C	*	.			trans	-96.3	140.2	169.5	-58.2	-36.7	0	0	0	110.8	R59 P65 E66	R59-H68 PolarHBondContact NE-O 2.91Å; R59-H68 PolarHBondContact NH2-O 3.06Å; P65-H68 PolarHBondContact O-CE1 2.88Å; P65-H68 VanDerWaalsContact O-CE1 3.32Å; E66-H68 PolarHBondContact O-N 2.87Å
69	S	96.3	Very high	94.5	Very high	35 Å²	35	46.6 Å²	46.6	25%	0.245	24%	0.239	C	C	.	.			trans	-128.1	149.1	170.7	-173.7	0	0	0	0	111	E56 L71	E56-S69 PolarHBondContact O-OG 2.94Å; E56-S69 WeakPolarHBondContact OE2-CA 3.39Å; E56-S69 WeakPolarHBondContact OE2-CB 3.49Å; E56-S69 PolarHBondContact OE2-OG 3.41Å; S69-L71 WeakPolarHBondContact CB-O 3.19Å; S69-L71 PolarHBondContact OG-N 3.4Å; S69-L71 PolarHBondContact OG-O 3.04Å
70	C	95.8	Very high	93.8	Very high	17 Å²	17	46.5 Å²	46.5	12%	0.115	24%	0.242	C	C	.	.	S	Bend	trans	-74.4	-14.6	167	61.6	0	0	0	0	112.9	E56 G287 E290	E56-C70 PolarHBondContact OE2-N 3.31Å; C70-G287 WeakPolarHBondContact CB-O 3.36Å; C70-E290 HydrophobicContact CB-CB 4.22Å
71	L	96.4	Very high	93.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	25%	0.247	C	C	.	.			trans	-95.1	122.2	169.6	-65.9	-172.9	0	0	0	110.4	M53 E56 I57 G60 S69 M73 M283 W285 L288	M53-L71 HydrophobicContact CG-CD1 4.11Å; E56-L71 HydrophobicContact CB-CB 4.21Å; E56-L71 HydrophobicContact CB-CD1 3.64Å; E56-L71 HydrophobicContact CB-CG 3.71Å; I57-L71 HydrophobicContact CG1-CD1 3.85Å; G60-L71 WeakPolarHBondContact CA-O 3.49Å; S69-L71 WeakPolarHBondContact CB-O 3.19Å; S69-L71 PolarHBondContact OG-N 3.4Å; S69-L71 PolarHBondContact OG-O 3.04Å; L71-M73 HydrophobicContact CB-CG 4.08Å; L71-M73 HydrophobicContact CB-SD 4.12Å; L71-M73 HydrophobicContact CD1-SD 4.39Å; L71-M283 HydrophobicContact CD1-CE 4.43Å; L71-W285 HydrophobicContact CD2-CB 4.05Å; L71-L288 HydrophobicContact CD1-CD1 4.25Å; L71-L288 HydrophobicContact CD2-CB 4.02Å; L71-L288 HydrophobicContact CD2-CD1 4.25Å; L71-L288 HydrophobicContact CG-CD1 4.1Å
72	K	94.8	Very high	92.8	Very high	62 Å²	62	47.7 Å²	47.7	27%	0.27	25%	0.246	S	C	.	.			trans	-74.1	-32.6	-176.2	-62.3	175.5	-175.2	156.1	0	112.6	L74 I176 K254 M283 E284	K72-L74 HydrophobicContact CB-CD1 4.26Å; K72-L74 HydrophobicContact CB-CD2 3.83Å; K72-L74 HydrophobicContact CB-CG 3.73Å; K72-L74 HydrophobicContact CD-CD1 4.24Å; K72-L74 PolarHBondContact O-N 3.39Å; K72-I176 HydrophobicContact CD-CD1 4.41Å; K72-K254 PolarHBondContact O-NZ 3.06Å; K72-M283 PolarHBondContact N-O 2.86Å; K72-E284 HydrophobicContact CB-CB 4.15Å; K72-E284 HydrophobicContact CD-CB 3.97Å; K72-E284 HydrophobicContact CD-CG 4.13Å; K72-E284 HydrophobicContact CG-CB 4.29Å
73	M	97.2	Very high	92.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.			trans	47.9	60	-179.8	-55.3	-56.9	-65	0	0	112.1	I57 L61 L71 P75 Y245 K254 I281 N282 M283	I57-M73 HydrophobicContact CB-CE 4.15Å; I57-M73 HydrophobicContact CB-SD 4.38Å; I57-M73 HydrophobicContact CG1-CE 3.94Å; I57-M73 HydrophobicContact CG1-SD 3.94Å; I57-M73 HydrophobicContact CG2-CE 3.6Å; I57-M73 HydrophobicContact CG2-SD 4.45Å; L61-M73 HydrophobicContact CD1-CE 4.32Å; L61-M73 HydrophobicContact CD2-CB 3.81Å; L61-M73 HydrophobicContact CD2-CE 4.35Å; L61-M73 HydrophobicContact CG-CB 4.01Å; L61-M73 HydrophobicContact CG-CE 4.2Å; L61-M73 HydrophobicContact CG-CG 4.29Å; L71-M73 HydrophobicContact CB-CG 4.08Å; L71-M73 HydrophobicContact CB-SD 4.12Å; L71-M73 HydrophobicContact CD1-SD 4.39Å; M73-P75 WeakPolarHBondContact O-CD 3.35Å; M73-Y245 HydrophobicContact CE-CE1 3.58Å; M73-Y245 WeakPolarHBondContact CE-OH 3.49Å; M73-K254 PolarHBondContact O-NZ 3.1Å; M73-I281 HydrophobicContact CB-CG2 3.98Å; M73-I281 HydrophobicContact CE-CB 4.45Å; M73-I281 HydrophobicContact CE-CG2 3.62Å; M73-I281 HydrophobicContact SD-CG2 4.46Å; M73-N282 CarbonylContact C-O 3.52Å; M73-M283 HydrophobicContact CE-CG 4.12Å; M73-M283 PolarHBondContact N-O 3.37Å; M73-M283 HydrophobicContact SD-CB 3.98Å; M73-M283 HydrophobicContact SD-CE 4.48Å; M73-M283 HydrophobicContact SD-CG 3.96Å
74	L	95.8	Very high	91.9	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.1	-172.3	-60.3	173.2	0	0	0	110.7	K72 S76 C165 I176 N282 E284	K72-L74 HydrophobicContact CB-CD1 4.26Å; K72-L74 HydrophobicContact CB-CD2 3.83Å; K72-L74 HydrophobicContact CB-CG 3.73Å; K72-L74 HydrophobicContact CD-CD1 4.24Å; K72-L74 PolarHBondContact O-N 3.39Å; L74-S76 PolarHBondContact O-N 3.11Å; L74-C165 WeakPolarHBondContact CD1-O 3.36Å; L74-I176 HydrophobicContact CD1-CD1 4.26Å; L74-I176 HydrophobicContact CD2-CD1 4.14Å; L74-N282 HydrophobicContact CB-CB 4.29Å; L74-N282 PolarHBondContact N-O 3.48Å; L74-N282 PolarHBondContact O-N 3.23Å; L74-E284 HydrophobicContact CD1-CG 3.54Å; L74-E284 HydrophobicContact CG-CG 4.35Å
75	P	95.5	Very high	91.5	Very high	10 Å²	10	48.1 Å²	48.1	7%	0.065	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	125.8	173	-19.5	32.6	0	0	0	110.8	M73 Y77 V252 K254 L255 M279 I281	M73-P75 WeakPolarHBondContact O-CD 3.35Å; P75-Y77 HydrophobicContact CB-CD2 4.36Å; P75-Y77 HydrophobicContact CB-CE2 4.01Å; P75-V252 HydrophobicContact CG-CG1 4.33Å; P75-K254 HydrophobicContact CG-CD 3.81Å; P75-K254 HydrophobicContact CG-CG 4.33Å; P75-L255 HydrophobicContact CB-CD1 3.71Å; P75-L255 HydrophobicContact CB-CG 4.42Å; P75-L255 HydrophobicContact CG-CD1 3.86Å; P75-L255 HydrophobicContact CG-CD2 4.29Å; P75-L255 HydrophobicContact CG-CG 4.03Å; P75-M279 HydrophobicContact CB-SD 3.49Å; P75-M279 WeakPolarHBondContact CB-SD 3.35Å; P75-I281 HydrophobicContact CB-CD1 4.47Å
76	S	94.6	Very high	91.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	23%	0.228	C	C	.	.			trans	-85.8	-11.7	178.3	69.8	0	0	0	0	113.8	L74 V78 L170 I280	L74-S76 PolarHBondContact O-N 3.11Å; S76-V78 PolarHBondContact O-N 2.9Å; S76-V78 VanDerWaalsContact O-N 3.1Å; S76-V78 WeakPolarHBondContact OG-CB 3.16Å; S76-V78 PolarHBondContact OG-N 3.3Å; S76-V78 VanDerWaalsContact OG-N 3.15Å; S76-L170 WeakPolarHBondContact O-CD1 3.42Å; S76-I280 VanDerWaalsContact CB-O 3.22Å; S76-I280 WeakPolarHBondContact CB-O 3.28Å; S76-I280 PolarHBondContact N-O 3.46Å; S76-I280 PolarHBondContact OG-O 3.46Å
77	Y	92	Very high	91.1	Very high	42 Å²	42	40.5 Å²	40.5	17%	0.165	22%	0.22	C	C	.	.			trans	61.4	7.7	-169.7	-65.1	-100.1	0	0	0	115.1	P75 R79 Q167 N168 L255 M279	P75-Y77 HydrophobicContact CB-CD2 4.36Å; P75-Y77 HydrophobicContact CB-CE2 4.01Å; Y77-R79 PolarHBondContact O-N 2.92Å; Y77-Q167 HydrophobicContact CD2-CB 3.76Å; Y77-Q167 HydrophobicContact CE2-CB 3.82Å; Y77-Q167 VanDerWaalsContact CE2-O 3.29Å; Y77-Q167 WeakPolarHBondContact CE2-O 3.48Å; Y77-N168 WeakPolarHBondContact CE1-O 3.5Å; Y77-N168 PolarHBondContact OH-O 2.58Å; Y77-L255 WeakPolarHBondContact OH-CD2 3.44Å; Y77-M279 HydrophobicContact CD1-CE 4.41Å
78	V	91.4	Very high	91	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.042	22%	0.215	C	C	.	.			trans	-84.1	104.4	169.4	-174.1	0	0	0	0	109.1	S76 L170 V218 M222 M279 I280 V480	S76-V78 PolarHBondContact O-N 2.9Å; S76-V78 VanDerWaalsContact O-N 3.1Å; S76-V78 WeakPolarHBondContact OG-CB 3.16Å; S76-V78 PolarHBondContact OG-N 3.3Å; S76-V78 VanDerWaalsContact OG-N 3.15Å; V78-L170 HydrophobicContact CG2-CD1 3.78Å; V78-V218 HydrophobicContact CB-CG1 4.47Å; V78-V218 HydrophobicContact CG2-CG1 3.98Å; V78-M222 HydrophobicContact CG1-CE 4Å; V78-M222 HydrophobicContact CG1-CG 4.38Å; V78-M222 HydrophobicContact CG1-SD 3.76Å; V78-M279 WeakPolarHBondContact O-CA 3.35Å; V78-I280 HydrophobicContact CB-CB 4.43Å; V78-I280 HydrophobicContact CB-CD1 4.18Å; V78-I280 HydrophobicContact CB-CG1 4.45Å; V78-I280 HydrophobicContact CG1-CD1 3.82Å; V78-I280 HydrophobicContact CG1-CG1 4.44Å; V78-I280 PolarHBondContact O-N 3.06Å; V78-V480 HydrophobicContact CG1-CG2 4.29Å; V78-V480 HydrophobicContact CG2-CG1 3.86Å; V78-V480 HydrophobicContact CG2-CG2 3.97Å
79	R	88.9	Confident	91	Very high	57 Å²	57	35.6 Å²	35.6	22%	0.215	20%	0.204	C	C	.	.			trans	-98.1	-15.7	-176.2	-65	-173.3	178.2	162.4	3.5	114.9	Y77 E262 K278 M279	Y77-R79 PolarHBondContact O-N 2.92Å; R79-E262 IonicContact NH1-OE2 3.94Å; R79-K278 WeakPolarHBondContact CA-O 3.45Å; R79-K278 WeakPolarHBondContact CB-O 3.42Å; R79-K278 WeakPolarHBondContact CG-O 3.03Å; R79-M279 HydrophobicContact CG-CE 4.06Å
80	H	83.7	Confident	91	Very high	88 Å²	88	34.8 Å²	34.8	41%	0.407	20%	0.196	S	C	.	.			trans	-130.1	137.5	-175.8	-58.2	-70	0	0	0	110	M222	H80-M222 WeakPolarHBondContact O-CE 3.42Å
81	L	87.8	Confident	91.1	Very high	34 Å²	34	34 Å²	34	18%	0.178	19%	0.19	C	C	.	.			trans	-73.9	162	164.1	-62.7	-174.8	0	0	0	109	D83 M222 A225 I280	L81-D83 PolarHBondContact O-N 2.84Å; L81-M222 HydrophobicContact CD2-SD 3.88Å; L81-A225 HydrophobicContact CB-CB 4.34Å; L81-A225 HydrophobicContact CD1-CB 4.21Å; L81-A225 HydrophobicContact CD2-CB 3.94Å; L81-A225 HydrophobicContact CG-CB 4.39Å; L81-I280 HydrophobicContact CD2-CD1 4.19Å
82	P	85.4	Confident	91.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	19%	0.19	C	C	.	.			trans	-56.3	140.4	173.1	-20.3	33.1	0	0	0	110.5	E86 M222 Y226 H229 L479	P82-E86 WeakPolarHBondContact CA-OE1 3.28Å; P82-M222 HydrophobicContact CG-CE 3.85Å; P82-Y226 HydrophobicContact CB-CD2 3.92Å; P82-Y226 HydrophobicContact CG-CD2 4.49Å; P82-H229 PolarHBondContact O-CE1 3.38Å; P82-H229 PolarHBondContact O-NE2 2.87Å; P82-L479 HydrophobicContact CB-CD2 4.22Å; P82-L479 HydrophobicContact CG-CB 4.36Å; P82-L479 HydrophobicContact CG-CD1 4.01Å; P82-L479 HydrophobicContact CG-CD2 4.18Å; P82-L479 HydrophobicContact CG-CG 4.43Å
83	D	84.9	Confident	91.2	Very high	75 Å²	75	31 Å²	31	40%	0.401	18%	0.177	S	C	.	.			trans	-113.7	1.3	-177.7	63.6	26.8	0	0	0	113.2	L81 T85 E86 R486	L81-D83 PolarHBondContact O-N 2.84Å; D83-T85 VanDerWaalsContact C-N 3.29Å; D83-T85 VanDerWaalsContact OD1-CB 3.25Å; D83-T85 WeakPolarHBondContact OD1-CB 3.34Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.46Å; D83-T85 PolarHBondContact OD1-N 2.84Å; D83-T85 PolarHBondContact OD1-OG1 2.79Å; D83-E86 PolarHBondContact N-OE1 3.44Å; D83-R486 IonicContact OD1-NH1 3.76Å; D83-R486 PolarHBondContact OD1-NH1 3.31Å; D83-R486 IonicContact OD2-CZ 2.91Å; D83-R486 IonicContact OD2-NH1 3.85Å; D83-R486 PolarHBondContact OD2-NH1 3.24Å; D83-R486 IonicContact OD2-NH2 2.85Å; D83-R486 PolarHBondContact OD2-NH2 2.56Å
84	G	84.1	Confident	91.1	Very high	39 Å²	39	31.8 Å²	31.8	40%	0.402	18%	0.182	S	C	.	.	S	Bend	trans	84.4	-0.4	179.4	0	0	0	0	0	113.8	E86	G84-E86 WeakPolarHBondContact CA-OE2 3.4Å; G84-E86 PolarHBondContact N-OE2 3.29Å
85	T	85.4	Confident	90.9	Very high	82 Å²	82	31 Å²	31	50%	0.503	18%	0.177	S	C	.	.			trans	-91.3	-1.6	173.9	72.2	0	0	0	0	112.7	D83 V87 R486	D83-T85 VanDerWaalsContact C-N 3.29Å; D83-T85 VanDerWaalsContact OD1-CB 3.25Å; D83-T85 WeakPolarHBondContact OD1-CB 3.34Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.46Å; D83-T85 PolarHBondContact OD1-N 2.84Å; D83-T85 PolarHBondContact OD1-OG1 2.79Å; T85-V87 PolarHBondContact O-N 2.71Å; T85-R486 PolarHBondContact OG1-NH1 2.88Å
86	E	86.4	Confident	90	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.033	18%	0.183	C	C	.	.			trans	-67.1	119	175.8	-56.1	79.4	-171.9	0	0	110.3	P82 D83 G84 L107 L479 A482 V483	P82-E86 WeakPolarHBondContact CA-OE1 3.28Å; D83-E86 PolarHBondContact N-OE1 3.44Å; G84-E86 WeakPolarHBondContact CA-OE2 3.4Å; G84-E86 PolarHBondContact N-OE2 3.29Å; E86-L107 HydrophobicContact CB-CD1 3.76Å; E86-L479 HydrophobicContact CG-CD2 4.47Å; E86-A482 HydrophobicContact CB-CB 3.99Å; E86-A482 HydrophobicContact CG-CB 4.01Å; E86-V483 HydrophobicContact CG-CG2 4.31Å
87	V	89.4	Confident	89.2	Confident	93 Å²	93	32.3 Å²	32.3	56%	0.564	19%	0.194	S	C	*	.			trans	-134.6	143.2	179.4	-176.9	0	0	0	0	110	T85 Y90 L107	T85-V87 PolarHBondContact O-N 2.71Å; V87-Y90 WeakPolarHBondContact O-CE2 3.44Å; V87-Y90 PolarHBondContact O-OH 3.39Å; V87-Y90 VanDerWaalsContact O-OH 3.11Å; V87-L107 WeakPolarHBondContact CA-O 3.47Å
88	G	91.5	Very high	88.3	Confident	16 Å²	16	33.3 Å²	33.3	17%	0.165	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.2	177.7	168.3	0	0	0	0	0	114.5	Y90 L107	G88-Y90 WeakPolarHBondContact O-CD2 2.89Å; G88-Y90 WeakPolarHBondContact O-CE2 3.49Å; G88-L107 PolarHBondContact N-O 3.48Å; G88-L107 PolarHBondContact O-N 3.22Å
89	P	94	Very high	88.1	Confident	63 Å²	63	37.6 Å²	37.6	41%	0.409	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	131.8	177.3	31.7	-32.6	0	0	0	110.5	L104 I105	P89-L104 HydrophobicContact CB-CD1 4.16Å; P89-I105 WeakPolarHBondContact CA-O 3.42Å
90	Y	96	Very high	88.2	Confident	18 Å²	18	34.9 Å²	34.9	7%	0.071	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141	173.6	-64	-85.4	0	0	0	109.2	V87 G88 I105 L107 P156 A481 A482 W485	V87-Y90 WeakPolarHBondContact O-CE2 3.44Å; V87-Y90 PolarHBondContact O-OH 3.39Å; V87-Y90 VanDerWaalsContact O-OH 3.11Å; G88-Y90 WeakPolarHBondContact O-CD2 2.89Å; G88-Y90 WeakPolarHBondContact O-CE2 3.49Å; Y90-I105 PolarHBondContact N-O 3.1Å; Y90-I105 PolarHBondContact O-N 3.5Å; Y90-L107 HydrophobicContact CD2-CD1 3.58Å; Y90-L107 HydrophobicContact CD2-CG 3.98Å; Y90-L107 HydrophobicContact CE2-CD1 3.77Å; Y90-L107 HydrophobicContact CE2-CG 4.38Å; Y90-P156 HydrophobicContact CD1-CB 3.98Å; Y90-P156 HydrophobicContact CD1-CG 4.05Å; Y90-P156 HydrophobicContact CE1-CB 4.19Å; Y90-P156 HydrophobicContact CE1-CG 3.9Å; Y90-A481 HydrophobicContact CD1-CB 4.18Å; Y90-A482 HydrophobicContact CD1-CB 4.15Å; Y90-A482 HydrophobicContact CD2-CB 4.01Å; Y90-A482 HydrophobicContact CE1-CB 3.71Å; Y90-A482 HydrophobicContact CE2-CB 3.54Å; Y90-A482 HydrophobicContact CG-CB 4.29Å; Y90-A482 VanDerWaalsContact CZ-CA 3.49Å; Y90-W485 HydrophobicContact CE1-CB 4.25Å
91	L	97.4	Very high	88.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.8	168.6	-69.6	159.2	0	0	0	109	L103 L104 L141 F144 L145 I155 P156 L157 G158 V208	L91-L103 CarbonylContact C-O 3.56Å; L91-L103 VanDerWaalsContact CA-O 3.31Å; L91-L103 WeakPolarHBondContact CA-O 3.39Å; L91-L104 HydrophobicContact CD2-CB 4.41Å; L91-L104 HydrophobicContact CD2-CD1 4.18Å; L91-L141 HydrophobicContact CD1-CD1 4.31Å; L91-F144 HydrophobicContact CD2-CD1 4.31Å; L91-F144 HydrophobicContact CD2-CE1 3.94Å; L91-L145 HydrophobicContact CD1-CD2 3.93Å; L91-L145 HydrophobicContact CD2-CD2 4.3Å; L91-I155 HydrophobicContact CB-CG2 4.37Å; L91-I155 HydrophobicContact CD1-CB 3.89Å; L91-I155 HydrophobicContact CD1-CD1 4.47Å; L91-I155 HydrophobicContact CD1-CG2 3.81Å; L91-I155 HydrophobicContact CG-CB 4.35Å; L91-I155 HydrophobicContact CG-CG2 3.71Å; L91-P156 PolarHBondContact N-O 2.89Å; L91-L157 HydrophobicContact CB-CB 4.15Å; L91-L157 HydrophobicContact CB-CD1 3.67Å; L91-L157 HydrophobicContact CB-CG 4.49Å; L91-L157 WeakPolarHBondContact O-CA 3.45Å; L91-G158 PolarHBondContact O-N 2.97Å; L91-V208 HydrophobicContact CD1-CG1 4.04Å; L91-V208 HydrophobicContact CD1-CG2 3.66Å
92	A	97.2	Very high	89.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.2	168.2	0	0	0	0	0	109.8	I102 L103 I105 G158 G474 A477 A478	A92-I102 CarbonylContact O-C 3.38Å; A92-I102 WeakPolarHBondContact O-CA 3.47Å; A92-L103 HydrophobicContact CB-CB 4.23Å; A92-L103 HydrophobicContact CB-CD1 4.11Å; A92-L103 PolarHBondContact N-O 3.36Å; A92-L103 PolarHBondContact O-N 3.2Å; A92-I105 HydrophobicContact CB-CD1 4.39Å; A92-G158 CarbonylContact C-O 3.51Å; A92-G158 VanDerWaalsContact CA-O 3.32Å; A92-G158 WeakPolarHBondContact CA-O 3.32Å; A92-G474 WeakPolarHBondContact CB-O 3.43Å; A92-A477 HydrophobicContact CB-CB 3.78Å; A92-A478 HydrophobicContact CB-CB 4.29Å
93	M	96.8	Very high	89.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.5	170.3	-83.3	-178.6	-175.8	0	0	109.5	F100 R101 I102 I137 L141 L157 G158 F159 T160 L196	M93-F100 HydrophobicContact CB-CE2 3.92Å; M93-F100 HydrophobicContact CB-CZ 4.34Å; M93-F100 HydrophobicContact CE-CZ 4.12Å; M93-F100 HydrophobicContact CG-CE2 3.86Å; M93-F100 HydrophobicContact CG-CZ 3.76Å; M93-F100 HydrophobicContact SD-CE2 4.14Å; M93-F100 HydrophobicContact SD-CZ 3.77Å; M93-R101 WeakPolarHBondContact CA-O 3.34Å; M93-I102 HydrophobicContact CE-CD1 4.22Å; M93-I102 HydrophobicContact CG-CG1 4.35Å; M93-I137 HydrophobicContact CE-CG2 4.3Å; M93-I137 HydrophobicContact SD-CG2 3.93Å; M93-L141 HydrophobicContact CE-CB 3.51Å; M93-L141 HydrophobicContact CE-CD1 3.71Å; M93-L141 HydrophobicContact CE-CD2 3.52Å; M93-L141 HydrophobicContact CE-CG 3.73Å; M93-L157 HydrophobicContact CB-CD1 4.1Å; M93-L157 HydrophobicContact CE-CD2 3.86Å; M93-L157 HydrophobicContact CG-CD1 3.77Å; M93-L157 HydrophobicContact CG-CD2 4.38Å; M93-L157 HydrophobicContact SD-CD1 4.26Å; M93-L157 HydrophobicContact SD-CD2 3.78Å; M93-G158 PolarHBondContact N-O 2.95Å; M93-F159 HydrophobicContact CB-CD2 3.51Å; M93-F159 HydrophobicContact CB-CE2 4.02Å; M93-F159 HydrophobicContact CB-CG 4.4Å; M93-T160 WeakPolarHBondContact O-CA 3.45Å; M93-T160 WeakPolarHBondContact O-CB 3.43Å; M93-T160 PolarHBondContact O-N 3.41Å; M93-L196 HydrophobicContact SD-CD2 4.14Å
94	D	94.6	Very high	90.2	Very high	17 Å²	17	28.5 Å²	28.5	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.9	176.6	178.1	16.9	0	0	0	110	F100 R101 S473	D94-F100 WeakPolarHBondContact O-CA 3.47Å; D94-F100 WeakPolarHBondContact O-CD2 3.47Å; D94-R101 HydrophobicContact CB-CB 4.29Å; D94-R101 PolarHBondContact N-O 2.81Å; D94-R101 PolarHBondContact O-N 2.98Å; D94-R101 IonicContact OD2-CZ 3.68Å; D94-R101 IonicContact OD2-NE 2.73Å; D94-R101 PolarHBondContact OD2-NE 3.35Å; D94-R101 IonicContact OD2-NH2 3.74Å; D94-R101 PolarHBondContact OD2-NH2 3.15Å; D94-S473 VanDerWaalsContact CG-OG 3.23Å; D94-S473 WeakPolarHBondContact OD2-CB 3.33Å; D94-S473 PolarHBondContact OD2-OG 3.39Å
95	L	91.6	Very high	90.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	105.7	176.1	-176.6	68.3	0	0	0	110.1	F100 I121 I137 F159 T160 F161 S162 F163 F182	L95-F100 HydrophobicContact CB-CD2 4.06Å; L95-F100 HydrophobicContact CD1-CB 4.12Å; L95-F100 HydrophobicContact CD1-CD2 4.17Å; L95-F100 HydrophobicContact CD1-CG 4.45Å; L95-I121 HydrophobicContact CD1-CG1 4.13Å; L95-I137 HydrophobicContact CD2-CD1 3.71Å; L95-F159 HydrophobicContact CB-CE2 3.79Å; L95-F159 HydrophobicContact CB-CZ 4.15Å; L95-F159 HydrophobicContact CD2-CZ 4.18Å; L95-T160 PolarHBondContact N-O 3.42Å; L95-F161 HydrophobicContact CB-CD2 4.46Å; L95-F161 HydrophobicContact CD2-CD2 4.01Å; L95-F161 HydrophobicContact CD2-CE2 3.87Å; L95-S162 PolarHBondContact O-N 2.73Å; L95-S162 VanDerWaalsContact O-N 3.09Å; L95-F163 HydrophobicContact CG-CE2 4.4Å; L95-F182 HydrophobicContact CD1-CZ 4.19Å
96	G	78	Confident	91.1	Very high	17 Å²	17	24.8 Å²	24.8	18%	0.175	15%	0.15	C	C	.	.	S	Bend	trans	-138.2	-3.9	175	0	0	0	0	0	115.3	K180	G96-K180 WeakPolarHBondContact O-CE 3.32Å; G96-K180 PolarHBondContact O-NZ 3.34Å
97	G	77	Confident	91.4	Very high	23 Å²	23	24.4 Å²	24.4	24%	0.237	15%	0.148	C	C	.	.	S	Bend	trans	-166.1	-150.7	-174.8	0	0	0	0	0	111.7	N99 F182	G97-N99 VanDerWaalsContact C-N 3.35Å; G97-F182 WeakPolarHBondContact O-CZ 3.43Å
98	T	73.7	Confident	91.1	Very high	62 Å²	62	27.7 Å²	27.7	38%	0.38	15%	0.15	S	C	.	.	S	Bend	trans	-74.8	-23.2	178.5	46.9	0	0	0	0	113.8	I121 M126	T98-I121 PolarHBondContact O-N 2.92Å; T98-M126 HydrophobicContact CG2-CE 3.98Å; T98-M126 HydrophobicContact CG2-SD 3.69Å
99	N	85.9	Confident	90.6	Very high	98 Å²	98	29.1 Å²	29.1	52%	0.524	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.8	175.2	-65.5	-34	0	0	0	108.8	G97 T118	G97-N99 VanDerWaalsContact C-N 3.35Å; N99-T118 HydrophobicContact CB-CG2 3.91Å
100	F	91.7	Very high	89.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.1	173.1	168	-124.1	0	0	0	108.6	M93 D94 L95 I102 T118 F119 I121 I137 C140	M93-F100 HydrophobicContact CB-CE2 3.92Å; M93-F100 HydrophobicContact CB-CZ 4.34Å; M93-F100 HydrophobicContact CE-CZ 4.12Å; M93-F100 HydrophobicContact CG-CE2 3.86Å; M93-F100 HydrophobicContact CG-CZ 3.76Å; M93-F100 HydrophobicContact SD-CE2 4.14Å; M93-F100 HydrophobicContact SD-CZ 3.77Å; D94-F100 WeakPolarHBondContact O-CA 3.47Å; D94-F100 WeakPolarHBondContact O-CD2 3.47Å; L95-F100 HydrophobicContact CB-CD2 4.06Å; L95-F100 HydrophobicContact CD1-CB 4.12Å; L95-F100 HydrophobicContact CD1-CD2 4.17Å; L95-F100 HydrophobicContact CD1-CG 4.45Å; F100-I102 HydrophobicContact CD1-CG1 4.48Å; F100-I102 HydrophobicContact CE1-CD1 3.72Å; F100-I102 HydrophobicContact CE1-CG1 3.65Å; F100-I102 HydrophobicContact CE2-CG1 4.4Å; F100-I102 HydrophobicContact CZ-CD1 3.91Å; F100-I102 HydrophobicContact CZ-CG1 3.58Å; F100-T118 CarbonylContact O-C 3.57Å; F100-T118 WeakPolarHBondContact O-CA 3.42Å; F100-F119 HydrophobicContact CD1-CB 4.13Å; F100-F119 HydrophobicContact CD1-CD2 4.36Å; F100-F119 PolarHBondContact N-O 3.15Å; F100-F119 PolarHBondContact O-N 3.38Å; F100-I121 HydrophobicContact CB-CD1 3.63Å; F100-I121 HydrophobicContact CB-CG1 3.74Å; F100-I121 HydrophobicContact CD1-CD1 4.27Å; F100-I121 HydrophobicContact CG-CD1 4.17Å; F100-I137 HydrophobicContact CE1-CB 4.42Å; F100-I137 HydrophobicContact CE1-CG1 4.38Å; F100-I137 HydrophobicContact CE1-CG2 4.01Å; F100-I137 HydrophobicContact CE2-CG2 4.24Å; F100-I137 HydrophobicContact CZ-CB 4.46Å; F100-I137 HydrophobicContact CZ-CG1 4.49Å; F100-I137 HydrophobicContact CZ-CG2 3.63Å; F100-C140 HydrophobicContact CD1-CB 4.31Å; F100-C140 HydrophobicContact CE1-CB 3.89Å
101	R	95	Very high	88.8	Confident	46 Å²	46	37.8 Å²	37.8	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141	-178.1	-55.3	-172.4	-68.2	168	-0.6	110.8	M93 D94 L103 R117 T118 D471 S473	M93-R101 WeakPolarHBondContact CA-O 3.34Å; D94-R101 HydrophobicContact CB-CB 4.29Å; D94-R101 PolarHBondContact N-O 2.81Å; D94-R101 PolarHBondContact O-N 2.98Å; D94-R101 IonicContact OD2-CZ 3.68Å; D94-R101 IonicContact OD2-NE 2.73Å; D94-R101 PolarHBondContact OD2-NE 3.35Å; D94-R101 IonicContact OD2-NH2 3.74Å; D94-R101 PolarHBondContact OD2-NH2 3.15Å; R101-L103 HydrophobicContact CB-CD1 4.18Å; R101-R117 WeakPolarHBondContact CA-O 3.35Å; R101-T118 HydrophobicContact CG-CG2 4.23Å; R101-D471 IonicContact CZ-OD1 3.13Å; R101-D471 IonicContact NH1-OD1 2.69Å; R101-D471 PolarHBondContact NH1-OD1 2.85Å; R101-D471 IonicContact NH2-OD1 2.98Å; R101-S473 PolarHBondContact NH2-OG 2.62Å
102	I	96.8	Very high	88.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.6	168.3	-53.2	-174.5	0	0	0	107.3	A92 M93 F100 N116 R117 F119 C140 L141 F144	A92-I102 CarbonylContact O-C 3.38Å; A92-I102 WeakPolarHBondContact O-CA 3.47Å; M93-I102 HydrophobicContact CE-CD1 4.22Å; M93-I102 HydrophobicContact CG-CG1 4.35Å; F100-I102 HydrophobicContact CD1-CG1 4.48Å; F100-I102 HydrophobicContact CE1-CD1 3.72Å; F100-I102 HydrophobicContact CE1-CG1 3.65Å; F100-I102 HydrophobicContact CE2-CG1 4.4Å; F100-I102 HydrophobicContact CZ-CD1 3.91Å; F100-I102 HydrophobicContact CZ-CG1 3.58Å; I102-N116 CarbonylContact O-C 3.51Å; I102-N116 VanDerWaalsContact O-CA 3.3Å; I102-N116 WeakPolarHBondContact O-CA 3.49Å; I102-R117 PolarHBondContact N-O 3.33Å; I102-R117 PolarHBondContact O-N 3.42Å; I102-F119 HydrophobicContact CB-CE2 4.39Å; I102-F119 HydrophobicContact CD1-CD2 4.24Å; I102-F119 HydrophobicContact CD1-CE2 3.77Å; I102-F119 HydrophobicContact CG1-CD2 4.21Å; I102-F119 HydrophobicContact CG1-CE2 3.99Å; I102-C140 HydrophobicContact CD1-CB 4.09Å; I102-L141 VanDerWaalsContact CD1-CA 3.46Å; I102-L141 HydrophobicContact CD1-CB 4.05Å; I102-L141 HydrophobicContact CD1-CD1 4.31Å; I102-L141 HydrophobicContact CG2-CD1 4.06Å; I102-F144 HydrophobicContact CB-CD1 4.46Å; I102-F144 HydrophobicContact CB-CD2 4.28Å; I102-F144 HydrophobicContact CB-CG 4.19Å; I102-F144 HydrophobicContact CD1-CB 4.21Å; I102-F144 HydrophobicContact CG2-CB 4.27Å; I102-F144 HydrophobicContact CG2-CD1 3.54Å; I102-F144 HydrophobicContact CG2-CD2 4.2Å; I102-F144 HydrophobicContact CG2-CE1 3.85Å; I102-F144 HydrophobicContact CG2-CE2 4.45Å; I102-F144 HydrophobicContact CG2-CG 3.73Å; I102-F144 HydrophobicContact CG2-CZ 4.29Å
103	L	96.3	Very high	87.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.3	179.1	-48.7	88.1	0	0	0	109.7	L91 A92 R101 I105 T114 I115 N116	L91-L103 CarbonylContact C-O 3.56Å; L91-L103 VanDerWaalsContact CA-O 3.31Å; L91-L103 WeakPolarHBondContact CA-O 3.39Å; A92-L103 HydrophobicContact CB-CB 4.23Å; A92-L103 HydrophobicContact CB-CD1 4.11Å; A92-L103 PolarHBondContact N-O 3.36Å; A92-L103 PolarHBondContact O-N 3.2Å; R101-L103 HydrophobicContact CB-CD1 4.18Å; L103-I105 HydrophobicContact CB-CD1 4.2Å; L103-I105 HydrophobicContact CB-CG1 3.99Å; L103-I105 HydrophobicContact CD2-CD1 4.35Å; L103-T114 HydrophobicContact CD2-CG2 4.01Å; L103-I115 CarbonylContact C-O 3.56Å; L103-I115 VanDerWaalsContact CA-O 3.26Å; L103-I115 WeakPolarHBondContact CA-O 3.47Å; L103-N116 HydrophobicContact CB-CB 4.39Å; L103-N116 HydrophobicContact CD2-CB 4.04Å; L103-N116 HydrophobicContact CG-CB 3.84Å
104	L	96.4	Very high	87.7	Confident	17 Å²	17	48.7 Å²	48.7	9%	0.089	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.6	159.9	177.2	71.1	0	0	0	107.4	P89 L91 T114 I115 F144 L150	P89-L104 HydrophobicContact CB-CD1 4.16Å; L91-L104 HydrophobicContact CD2-CB 4.41Å; L91-L104 HydrophobicContact CD2-CD1 4.18Å; L104-T114 WeakPolarHBondContact O-CA 3.12Å; L104-I115 HydrophobicContact CB-CB 4.41Å; L104-I115 HydrophobicContact CD2-CD1 4.28Å; L104-I115 PolarHBondContact N-O 3.26Å; L104-I115 PolarHBondContact O-N 3.37Å; L104-F144 HydrophobicContact CB-CE1 4.02Å; L104-F144 HydrophobicContact CB-CZ 4.05Å; L104-L150 HydrophobicContact CD1-CD1 3.76Å; L104-L150 HydrophobicContact CD2-CD1 3.69Å; L104-L150 HydrophobicContact CG-CD1 4.25Å
105	I	94.5	Very high	87.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117	-177.3	-54.2	-169.7	0	0	0	108.2	P89 Y90 A92 L103 L107 P112 E113 T114 G474 L475 A478	P89-I105 WeakPolarHBondContact CA-O 3.42Å; Y90-I105 PolarHBondContact N-O 3.1Å; Y90-I105 PolarHBondContact O-N 3.5Å; A92-I105 HydrophobicContact CB-CD1 4.39Å; L103-I105 HydrophobicContact CB-CD1 4.2Å; L103-I105 HydrophobicContact CB-CG1 3.99Å; L103-I105 HydrophobicContact CD2-CD1 4.35Å; I105-L107 HydrophobicContact CG2-CD2 3.79Å; I105-L107 HydrophobicContact CG2-CG 4.36Å; I105-P112 HydrophobicContact CG2-CB 3.75Å; I105-P112 HydrophobicContact CG2-CG 4.48Å; I105-E113 WeakPolarHBondContact CA-O 3.34Å; I105-T114 HydrophobicContact CG1-CG2 4.22Å; I105-G474 WeakPolarHBondContact CD1-O 3.49Å; I105-L475 VanDerWaalsContact CD1-CA 3.5Å; I105-L475 HydrophobicContact CD1-CB 4.25Å; I105-L475 HydrophobicContact CD1-CD1 4.19Å; I105-L475 HydrophobicContact CG2-CD1 3.84Å; I105-A478 HydrophobicContact CB-CB 3.83Å; I105-A478 HydrophobicContact CD1-CB 3.69Å; I105-A478 HydrophobicContact CG1-CB 4.09Å; I105-A478 HydrophobicContact CG2-CB 4.22Å
106	N	93.7	Very high	87.8	Confident	41 Å²	41	55.8 Å²	55.8	22%	0.219	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	101.5	174.2	-115.5	-34.7	0	0	0	108.7	R108 P112 E113	N106-R108 PolarHBondContact O-N 2.74Å; N106-P112 WeakPolarHBondContact O-CA 3Å; N106-E113 HydrophobicContact CB-CB 4.18Å; N106-E113 PolarHBondContact N-O 3.45Å; N106-E113 PolarHBondContact O-N 2.87Å
107	L	91.2	Very high	88.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	118.9	178.3	-61.6	177.9	0	0	0	109.5	E86 V87 G88 Y90 I105 P112 L475 L479 A482	E86-L107 HydrophobicContact CB-CD1 3.76Å; V87-L107 WeakPolarHBondContact CA-O 3.47Å; G88-L107 PolarHBondContact N-O 3.48Å; G88-L107 PolarHBondContact O-N 3.22Å; Y90-L107 HydrophobicContact CD2-CD1 3.58Å; Y90-L107 HydrophobicContact CD2-CG 3.98Å; Y90-L107 HydrophobicContact CE2-CD1 3.77Å; Y90-L107 HydrophobicContact CE2-CG 4.38Å; I105-L107 HydrophobicContact CG2-CD2 3.79Å; I105-L107 HydrophobicContact CG2-CG 4.36Å; L107-P112 HydrophobicContact CD2-CB 4.07Å; L107-L475 HydrophobicContact CD2-CD1 4.08Å; L107-L479 HydrophobicContact CD1-CD2 3.96Å; L107-L479 HydrophobicContact CD2-CD2 3.86Å; L107-L479 HydrophobicContact CD2-CG 4.4Å; L107-A482 HydrophobicContact CD1-CB 3.64Å
108	R	84.4	Confident	89.4	Confident	162 Å²	162	61.2 Å²	61.2	61%	0.611	32%	0.319	S	S	*	.			trans	-148.2	115.3	172.8	-68.4	-173.8	178.8	176.1	-0.2	109.5	N106 T110	N106-R108 PolarHBondContact O-N 2.74Å; R108-T110 PolarHBondContact O-N 2.78Å
109	G	79.7	Confident	90.4	Very high	45 Å²	45	59.1 Å²	59.1	46%	0.464	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-119.3	177.1	0	0	0	0	0	112.4	Y226	G109-Y226 VanDerWaalsContact O-CZ 3.28Å; G109-Y226 PolarHBondContact O-OH 2.93Å
110	T	74.9	Confident	90.7	Very high	101 Å²	101	64 Å²	64	62%	0.62	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-3.2	-177.6	57.1	0	0	0	0	113.8	R108 Y226	R108-T110 PolarHBondContact O-N 2.78Å; T110-Y226 WeakPolarHBondContact O-CE1 3.41Å
111	Q	78.6	Confident	90.7	Very high	163 Å²	163	64.1 Å²	64.1	76%	0.762	32%	0.316	S	S	*	.	S	Bend	trans	-127.1	109.1	178.9	-72.3	-170.3	-12.4	0	0	109
112	P	85.7	Confident	90.6	Very high	36 Å²	36	64.9 Å²	64.9	23%	0.234	33%	0.327	C	S	.	.			trans	-86.2	141.8	-176.4	33.4	-26.9	0	0	0	110.8	I105 N106 L107 Y226 L475	I105-P112 HydrophobicContact CG2-CB 3.75Å; I105-P112 HydrophobicContact CG2-CG 4.48Å; N106-P112 WeakPolarHBondContact O-CA 3Å; L107-P112 HydrophobicContact CD2-CB 4.07Å; P112-Y226 HydrophobicContact CG-CE1 4.25Å; P112-L475 HydrophobicContact CB-CD1 4.23Å; P112-L475 HydrophobicContact CG-CD1 3.74Å; P112-L475 HydrophobicContact CG-CD2 4.1Å
113	E	89.4	Confident	90.1	Very high	132 Å²	132	69.1 Å²	69.1	62%	0.617	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.3	166	-72.4	176.6	-171.9	0	0	108.8	I105 N106	I105-E113 WeakPolarHBondContact CA-O 3.34Å; N106-E113 HydrophobicContact CB-CB 4.18Å; N106-E113 PolarHBondContact N-O 3.45Å; N106-E113 PolarHBondContact O-N 2.87Å
114	T	91.7	Very high	89.9	Confident	61 Å²	61	72.7 Å²	72.7	37%	0.374	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.9	-174.5	-58.2	0	0	0	0	111	L103 L104 I105	L103-T114 HydrophobicContact CD2-CG2 4.01Å; L104-T114 WeakPolarHBondContact O-CA 3.12Å; I105-T114 HydrophobicContact CG1-CG2 4.22Å
115	I	94	Very high	89.8	Confident	83 Å²	83	73.5 Å²	73.5	43%	0.426	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.1	165.1	-55.8	175	0	0	0	106.7	L103 L104 F144	L103-I115 CarbonylContact C-O 3.56Å; L103-I115 VanDerWaalsContact CA-O 3.26Å; L103-I115 WeakPolarHBondContact CA-O 3.47Å; L104-I115 HydrophobicContact CB-CB 4.41Å; L104-I115 HydrophobicContact CD2-CD1 4.28Å; L104-I115 PolarHBondContact N-O 3.26Å; L104-I115 PolarHBondContact O-N 3.37Å; I115-F144 HydrophobicContact CG2-CE2 4.48Å; I115-F144 HydrophobicContact CG2-CZ 4.4Å
116	N	94.2	Very high	89.6	Confident	83 Å²	83	74.3 Å²	74.3	44%	0.444	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	153.3	178.4	75.1	81.6	0	0	0	112	I102 L103	I102-N116 CarbonylContact O-C 3.51Å; I102-N116 VanDerWaalsContact O-CA 3.3Å; I102-N116 WeakPolarHBondContact O-CA 3.49Å; L103-N116 HydrophobicContact CB-CB 4.39Å; L103-N116 HydrophobicContact CD2-CB 4.04Å; L103-N116 HydrophobicContact CG-CB 3.84Å
117	R	95.2	Very high	89.5	Confident	81 Å²	81	76.2 Å²	76.2	31%	0.306	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.1	170.1	-168.6	167.9	179.6	-156	-11.4	109.6	R101 I102 F119 E143 F144 D147	R101-R117 WeakPolarHBondContact CA-O 3.35Å; I102-R117 PolarHBondContact N-O 3.33Å; I102-R117 PolarHBondContact O-N 3.42Å; R117-F119 HydrophobicContact CB-CE2 3.95Å; R117-F119 HydrophobicContact CB-CZ 4.39Å; R117-F119 HydrophobicContact CG-CD2 4.43Å; R117-F119 HydrophobicContact CG-CE2 3.79Å; R117-F119 HydrophobicContact CG-CZ 3.87Å; R117-E143 IonicContact CZ-OE1 3.22Å; R117-E143 VanDerWaalsContact NH1-CD 3.28Å; R117-E143 IonicContact NH1-OE1 2.69Å; R117-E143 PolarHBondContact NH1-OE1 2.85Å; R117-E143 IonicContact NH2-OE1 3.26Å; R117-E143 PolarHBondContact NH2-OE1 3.19Å; R117-F144 HydrophobicContact CB-CD2 3.63Å; R117-F144 HydrophobicContact CB-CE2 3.81Å; R117-D147 IonicContact CZ-OD2 3.26Å; R117-D147 IonicContact NH1-OD2 2.95Å; R117-D147 PolarHBondContact NH1-OD2 3.11Å
118	T	94.3	Very high	89.6	Confident	72 Å²	72	77.2 Å²	77.2	44%	0.442	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.8	175.5	-59.3	0	0	0	0	109.8	N99 F100 R101	N99-T118 HydrophobicContact CB-CG2 3.91Å; F100-T118 CarbonylContact O-C 3.57Å; F100-T118 WeakPolarHBondContact O-CA 3.42Å; R101-T118 HydrophobicContact CG-CG2 4.23Å
119	F	94.6	Very high	90.2	Very high	19 Å²	19	74.4 Å²	74.4	8%	0.083	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.2	174.1	-61.3	-93.5	0	0	0	109	F100 I102 R117 C140 F144	F100-F119 HydrophobicContact CD1-CB 4.13Å; F100-F119 HydrophobicContact CD1-CD2 4.36Å; F100-F119 PolarHBondContact N-O 3.15Å; F100-F119 PolarHBondContact O-N 3.38Å; I102-F119 HydrophobicContact CB-CE2 4.39Å; I102-F119 HydrophobicContact CD1-CD2 4.24Å; I102-F119 HydrophobicContact CD1-CE2 3.77Å; I102-F119 HydrophobicContact CG1-CD2 4.21Å; I102-F119 HydrophobicContact CG1-CE2 3.99Å; R117-F119 HydrophobicContact CB-CE2 3.95Å; R117-F119 HydrophobicContact CB-CZ 4.39Å; R117-F119 HydrophobicContact CG-CD2 4.43Å; R117-F119 HydrophobicContact CG-CE2 3.79Å; R117-F119 HydrophobicContact CG-CZ 3.87Å; F119-C140 HydrophobicContact CD1-CB 3.87Å; F119-C140 VanDerWaalsContact CD1-SG 3.55Å; F119-C140 HydrophobicContact CD2-CB 4.02Å; F119-C140 HydrophobicContact CE1-CB 3.96Å; F119-C140 HydrophobicContact CE2-CB 4.12Å; F119-C140 HydrophobicContact CG-CB 3.89Å; F119-C140 HydrophobicContact CZ-CB 4.07Å; F119-C140 WeakPolarHBondContact CZ-O 3.38Å; F119-F144 HydrophobicContact CZ-CB 4.43Å
120	R	92.5	Very high	91	Very high	201 Å²	201	72.3 Å²	72.3	76%	0.758	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.2	175.9	-165.4	177.2	-174.1	178.5	2.3	109	P122	R120-P122 VanDerWaalsContact O-CD 3.32Å; R120-P122 WeakPolarHBondContact O-CD 3.49Å
121	I	91.8	Very high	92.1	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.01	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-78.7	119	171.9	-55.1	-60.5	0	0	0	108.3	L95 T98 F100 L125 M126 L133	L95-I121 HydrophobicContact CD1-CG1 4.13Å; T98-I121 PolarHBondContact O-N 2.92Å; F100-I121 HydrophobicContact CB-CD1 3.63Å; F100-I121 HydrophobicContact CB-CG1 3.74Å; F100-I121 HydrophobicContact CD1-CD1 4.27Å; F100-I121 HydrophobicContact CG-CD1 4.17Å; I121-L125 HydrophobicContact CG2-CB 4.18Å; I121-M126 HydrophobicContact CG2-CG 3.83Å; I121-L133 HydrophobicContact CG2-CD1 4.07Å
122	P	91.6	Very high	93	Very high	62 Å²	62	67.5 Å²	67.5	40%	0.403	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-58.9	138.1	174	-23.2	33.9	0	0	0	111.3	R120 A124 L125 M126	R120-P122 VanDerWaalsContact O-CD 3.32Å; R120-P122 WeakPolarHBondContact O-CD 3.49Å; P122-A124 PolarHBondContact O-N 3.21Å; P122-A124 VanDerWaalsContact O-N 3.12Å; P122-L125 HydrophobicContact CB-CG 4.41Å; P122-L125 HydrophobicContact CG-CD1 4.28Å; P122-L125 HydrophobicContact CG-CG 4.48Å; P122-L125 WeakPolarHBondContact O-CB 3.41Å; P122-L125 PolarHBondContact O-N 2.99Å; P122-M126 PolarHBondContact O-N 3.15Å
123	S	87.7	Confident	93.5	Very high	88 Å²	88	65.8 Å²	65.8	62%	0.615	36%	0.355	S	S	*	.	H	α-helix	trans	-57.4	-31.4	-178.8	-55.2	0	0	0	0	113.3	L125 M126 T127	S123-L125 VanDerWaalsContact C-N 3.28Å; S123-L125 PolarHBondContact O-N 3.11Å; S123-M126 PolarHBondContact O-N 2.98Å; S123-T127 PolarHBondContact O-OG1 3.15Å
124	A	92.7	Very high	93.9	Very high	76 Å²	76	59.6 Å²	59.6	63%	0.628	33%	0.326	S	S	*	.	H	α-helix	trans	-62	-33.8	174.7	0	0	0	0	0	112.7	P122 G128	P122-A124 PolarHBondContact O-N 3.21Å; P122-A124 VanDerWaalsContact O-N 3.12Å; A124-G128 WeakPolarHBondContact O-CA 3.38Å; A124-G128 PolarHBondContact O-N 2.97Å
125	L	93.9	Very high	94.2	Very high	35 Å²	35	62.2 Å²	62.2	18%	0.183	33%	0.329	C	S	.	.	H	α-helix	trans	-75.3	-28.4	176.9	-66.2	-172.4	0	0	0	112.5	I121 P122 S123 T127 G128 D132 H136 C184	I121-L125 HydrophobicContact CG2-CB 4.18Å; P122-L125 HydrophobicContact CB-CG 4.41Å; P122-L125 HydrophobicContact CG-CD1 4.28Å; P122-L125 HydrophobicContact CG-CG 4.48Å; P122-L125 WeakPolarHBondContact O-CB 3.41Å; P122-L125 PolarHBondContact O-N 2.99Å; S123-L125 VanDerWaalsContact C-N 3.28Å; S123-L125 PolarHBondContact O-N 3.11Å; L125-T127 PolarHBondContact O-N 2.97Å; L125-G128 PolarHBondContact O-N 2.83Å; L125-D132 HydrophobicContact CD2-CB 3.98Å; L125-H136 HydrophobicContact CD1-CB 3.56Å; L125-H136 VanDerWaalsContact CD1-CG 3.48Å; L125-C184 PolarHBondContact O-SG 2.89Å
126	M	89.9	Confident	94.3	Very high	18 Å²	18	60.5 Å²	60.5	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-67.6	-19.6	178.4	-59.6	173.7	71.7	0	0	113	T98 I121 P122 S123 F182 N183 C184	T98-M126 HydrophobicContact CG2-CE 3.98Å; T98-M126 HydrophobicContact CG2-SD 3.69Å; I121-M126 HydrophobicContact CG2-CG 3.83Å; P122-M126 PolarHBondContact O-N 3.15Å; S123-M126 PolarHBondContact O-N 2.98Å; M126-F182 HydrophobicContact CB-CD1 4.09Å; M126-F182 HydrophobicContact CB-CE1 4.17Å; M126-F182 HydrophobicContact CB-CG 4.46Å; M126-F182 HydrophobicContact CE-CD2 3.68Å; M126-F182 HydrophobicContact CE-CE1 4.43Å; M126-F182 HydrophobicContact CE-CE2 3.38Å; M126-F182 HydrophobicContact CE-CG 4.34Å; M126-F182 HydrophobicContact CE-CZ 3.8Å; M126-F182 HydrophobicContact CG-CD1 4.29Å; M126-F182 HydrophobicContact CG-CE1 3.85Å; M126-F182 HydrophobicContact CG-CE2 4.46Å; M126-F182 HydrophobicContact CG-CZ 3.95Å; M126-F182 CarbonylContact O-C 3.54Å; M126-F182 WeakPolarHBondContact O-CA 3.23Å; M126-N183 PolarHBondContact O-N 3.29Å; M126-C184 VanDerWaalsContact C-SG 3.57Å; M126-C184 PolarHBondContact O-SG 3.36Å
127	T	91.3	Very high	94.4	Very high	81 Å²	81	56.6 Å²	56.6	50%	0.497	30%	0.298	S	S	.	.	S	Bend	trans	-123.7	4.1	-179	54.4	0	0	0	0	112.8	S123 L125	S123-T127 PolarHBondContact O-OG1 3.15Å; L125-T127 PolarHBondContact O-N 2.97Å
128	G	93.7	Very high	94.6	Very high	21 Å²	21	52.7 Å²	52.7	22%	0.216	28%	0.283	C	S	.	.	S	Bend	trans	-85.3	-149.9	-178.6	0	0	0	0	0	113.4	A124 L125 C184 K185	A124-G128 WeakPolarHBondContact O-CA 3.38Å; A124-G128 PolarHBondContact O-N 2.97Å; L125-G128 PolarHBondContact O-N 2.83Å; G128-C184 CarbonylContact O-C 3.59Å; G128-C184 VanDerWaalsContact O-CA 3.23Å; G128-C184 WeakPolarHBondContact O-CA 3.43Å; G128-K185 PolarHBondContact O-N 3.28Å
129	H	97.2	Very high	94.7	Very high	103 Å²	103	52.6 Å²	52.6	48%	0.477	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-84	144.8	173.2	-78.2	-92.9	0	0	0	111.4	D131 D132 L133	H129-D131 VanDerWaalsContact C-N 3.34Å; H129-D131 PolarHBondContact O-N 3.24Å; H129-D132 PolarHBondContact O-N 3.23Å; H129-L133 PolarHBondContact O-N 3.48Å
130	G	96.1	Very high	94.8	Very high	1 Å²	1	52 Å²	52	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-55.7	-45.5	177.7	0	0	0	0	0	113.5	D132 L133 F134 K185	G130-D132 PolarHBondContact O-N 3.34Å; G130-L133 WeakPolarHBondContact O-CB 3.49Å; G130-L133 PolarHBondContact O-N 2.91Å; G130-F134 VanDerWaalsContact O-CD2 3.23Å; G130-F134 WeakPolarHBondContact O-CD2 3.46Å; G130-F134 PolarHBondContact O-N 2.99Å; G130-K185 PolarHBondContact N-O 3.2Å
131	D	97.2	Very high	95.1	Very high	101 Å²	101	42.4 Å²	42.4	54%	0.54	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-35.2	-178.3	-56.8	-22.5	0	0	0	112.1	H129 R135	H129-D131 VanDerWaalsContact C-N 3.34Å; H129-D131 PolarHBondContact O-N 3.24Å; D131-R135 WeakPolarHBondContact O-CB 3.35Å; D131-R135 PolarHBondContact O-N 3.48Å
132	D	97.5	Very high	95.4	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	25%	0.25	S	C	.	.	H	α-helix	trans	-70	-38.9	177.1	-60.3	-33.8	0	0	0	111.6	L125 H129 G130 R135 H136	L125-D132 HydrophobicContact CD2-CB 3.98Å; H129-D132 PolarHBondContact O-N 3.23Å; G130-D132 PolarHBondContact O-N 3.34Å; D132-R135 IonicContact OD1-CZ 3.57Å; D132-R135 IonicContact OD1-NH1 3.71Å; D132-R135 PolarHBondContact OD1-NH1 2.85Å; D132-R135 IonicContact OD1-NH2 3.85Å; D132-H136 WeakPolarHBondContact O-CB 3.15Å; D132-H136 PolarHBondContact O-N 3.41Å
133	L	96.7	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-52.4	174	173.8	65.4	0	0	0	111.1	I121 H129 G130 R135 H136 I137 W178 F182	I121-L133 HydrophobicContact CG2-CD1 4.07Å; H129-L133 PolarHBondContact O-N 3.48Å; G130-L133 WeakPolarHBondContact O-CB 3.49Å; G130-L133 PolarHBondContact O-N 2.91Å; L133-R135 VanDerWaalsContact C-N 3.35Å; L133-R135 PolarHBondContact O-N 2.95Å; L133-H136 WeakPolarHBondContact O-CB 3.48Å; L133-H136 PolarHBondContact O-N 3.47Å; L133-I137 HydrophobicContact CD1-CD1 4.09Å; L133-I137 HydrophobicContact CD1-CG1 4.48Å; L133-I137 HydrophobicContact CG-CD1 4.01Å; L133-I137 WeakPolarHBondContact O-CG1 3.49Å; L133-I137 PolarHBondContact O-N 2.83Å; L133-W178 HydrophobicContact CD2-CH2 4.23Å; L133-F182 HydrophobicContact CD1-CE1 4.46Å; L133-F182 HydrophobicContact CD2-CD1 4.4Å; L133-F182 HydrophobicContact CD2-CE1 4.24Å
134	F	97.6	Very high	96.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-34.7	-177.6	-73.5	-77.5	0	0	0	112.3	G130 I137 A138 F159 V187 V192 M195 L196 A199	G130-F134 VanDerWaalsContact O-CD2 3.23Å; G130-F134 WeakPolarHBondContact O-CD2 3.46Å; G130-F134 PolarHBondContact O-N 2.99Å; F134-I137 HydrophobicContact CD1-CD1 4.39Å; F134-I137 PolarHBondContact O-N 3.27Å; F134-A138 WeakPolarHBondContact O-CB 3.43Å; F134-A138 PolarHBondContact O-N 3.47Å; F134-F159 HydrophobicContact CE1-CE1 4.47Å; F134-V187 HydrophobicContact CE2-CG1 3.9Å; F134-V187 HydrophobicContact CE2-CG2 4.12Å; F134-V187 HydrophobicContact CZ-CG1 4.26Å; F134-V192 HydrophobicContact CE1-CB 4.44Å; F134-V192 HydrophobicContact CZ-CB 4Å; F134-V192 HydrophobicContact CZ-CG1 4.09Å; F134-M195 HydrophobicContact CD1-CB 4.37Å; F134-M195 HydrophobicContact CD2-CB 3.93Å; F134-M195 HydrophobicContact CD2-CE 3.8Å; F134-M195 HydrophobicContact CD2-SD 4.33Å; F134-M195 HydrophobicContact CE1-CB 4.4Å; F134-M195 HydrophobicContact CE2-CB 3.98Å; F134-M195 HydrophobicContact CE2-CE 3.85Å; F134-M195 HydrophobicContact CE2-SD 3.88Å; F134-M195 HydrophobicContact CG-CB 4.14Å; F134-M195 HydrophobicContact CZ-CB 4.22Å; F134-L196 HydrophobicContact CD1-CB 3.89Å; F134-L196 HydrophobicContact CD1-CD1 4.3Å; F134-L196 HydrophobicContact CE1-CB 4.13Å; F134-A199 HydrophobicContact CB-CB 3.98Å; F134-A199 WeakPolarHBondContact O-CB 3.3Å
135	R	97.8	Very high	96.4	Very high	116 Å²	116	37.3 Å²	37.3	44%	0.438	19%	0.19	S	C	.	.	H	α-helix	trans	-63.2	-42.1	171.8	-168.4	-176.8	-50.5	107.8	7.4	111.9	D131 D132 L133 A138 N139	D131-R135 WeakPolarHBondContact O-CB 3.35Å; D131-R135 PolarHBondContact O-N 3.48Å; D132-R135 IonicContact OD1-CZ 3.57Å; D132-R135 IonicContact OD1-NH1 3.71Å; D132-R135 PolarHBondContact OD1-NH1 2.85Å; D132-R135 IonicContact OD1-NH2 3.85Å; L133-R135 VanDerWaalsContact C-N 3.35Å; L133-R135 PolarHBondContact O-N 2.95Å; R135-A138 PolarHBondContact O-N 3.41Å; R135-N139 PolarHBondContact O-N 3.46Å; R135-N139 PolarHBondContact O-ND2 3.14Å; R135-N139 PolarHBondContact O-OD1 3.22Å
136	H	96.8	Very high	96.6	Very high	47 Å²	47	39.6 Å²	39.6	22%	0.218	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-44.4	175.1	178.4	73.6	0	0	0	111.7	L125 D132 L133 A138 N139 C140	L125-H136 HydrophobicContact CD1-CB 3.56Å; L125-H136 VanDerWaalsContact CD1-CG 3.48Å; D132-H136 WeakPolarHBondContact O-CB 3.15Å; D132-H136 PolarHBondContact O-N 3.41Å; L133-H136 WeakPolarHBondContact O-CB 3.48Å; L133-H136 PolarHBondContact O-N 3.47Å; H136-A138 PolarHBondContact O-N 2.93Å; H136-N139 PolarHBondContact O-N 3.28Å; H136-C140 PolarHBondContact O-N 3.16Å; H136-C140 PolarHBondContact O-SG 3.38Å; H136-C140 VanDerWaalsContact O-SG 3.38Å
137	I	96.9	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-46.1	175.1	-70.1	165.4	0	0	0	111.3	M93 L95 F100 L133 F134 N139 C140 L141 L196	M93-I137 HydrophobicContact CE-CG2 4.3Å; M93-I137 HydrophobicContact SD-CG2 3.93Å; L95-I137 HydrophobicContact CD2-CD1 3.71Å; F100-I137 HydrophobicContact CE1-CB 4.42Å; F100-I137 HydrophobicContact CE1-CG1 4.38Å; F100-I137 HydrophobicContact CE1-CG2 4.01Å; F100-I137 HydrophobicContact CE2-CG2 4.24Å; F100-I137 HydrophobicContact CZ-CB 4.46Å; F100-I137 HydrophobicContact CZ-CG1 4.49Å; F100-I137 HydrophobicContact CZ-CG2 3.63Å; L133-I137 HydrophobicContact CD1-CD1 4.09Å; L133-I137 HydrophobicContact CD1-CG1 4.48Å; L133-I137 HydrophobicContact CG-CD1 4.01Å; L133-I137 WeakPolarHBondContact O-CG1 3.49Å; L133-I137 PolarHBondContact O-N 2.83Å; F134-I137 HydrophobicContact CD1-CD1 4.39Å; F134-I137 PolarHBondContact O-N 3.27Å; I137-N139 VanDerWaalsContact C-N 3.34Å; I137-N139 PolarHBondContact O-N 2.92Å; I137-C140 PolarHBondContact O-N 3.26Å; I137-L141 PolarHBondContact O-N 2.98Å; I137-L196 HydrophobicContact CB-CD1 4.48Å; I137-L196 HydrophobicContact CG2-CD1 3.63Å
138	A	97.9	Very high	97.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-38.5	177.5	0	0	0	0	0	112.3	F134 R135 H136 L141 H142 A199 I200	F134-A138 WeakPolarHBondContact O-CB 3.43Å; F134-A138 PolarHBondContact O-N 3.47Å; R135-A138 PolarHBondContact O-N 3.41Å; H136-A138 PolarHBondContact O-N 2.93Å; A138-L141 WeakPolarHBondContact O-CB 3.46Å; A138-L141 PolarHBondContact O-N 3.45Å; A138-H142 PolarHBondContact O-N 3.34Å; A138-A199 HydrophobicContact CB-CB 3.89Å; A138-I200 HydrophobicContact CB-CG1 4.37Å
139	N	97.7	Very high	97.2	Very high	70 Å²	70	48 Å²	48	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-65.4	-41.2	175.1	-67.8	-13.4	0	0	0	112.2	R135 H136 I137 L141 H142 E143 H203	R135-N139 PolarHBondContact O-N 3.46Å; R135-N139 PolarHBondContact O-ND2 3.14Å; R135-N139 PolarHBondContact O-OD1 3.22Å; H136-N139 PolarHBondContact O-N 3.28Å; I137-N139 VanDerWaalsContact C-N 3.34Å; I137-N139 PolarHBondContact O-N 2.92Å; N139-L141 VanDerWaalsContact C-N 3.29Å; N139-L141 PolarHBondContact O-N 3.02Å; N139-H142 WeakPolarHBondContact O-CB 3.33Å; N139-H142 PolarHBondContact O-N 3.29Å; N139-E143 PolarHBondContact O-N 3.5Å; N139-H203 PolarHBondContact OD1-CE1 3.29Å; N139-H203 PolarHBondContact OD1-NE2 2.88Å
140	C	97.4	Very high	97.2	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-38.2	173.8	-68.1	0	0	0	0	111.7	F100 I102 F119 H136 I137 F144	F100-C140 HydrophobicContact CD1-CB 4.31Å; F100-C140 HydrophobicContact CE1-CB 3.89Å; I102-C140 HydrophobicContact CD1-CB 4.09Å; F119-C140 HydrophobicContact CD1-CB 3.87Å; F119-C140 VanDerWaalsContact CD1-SG 3.55Å; F119-C140 HydrophobicContact CD2-CB 4.02Å; F119-C140 HydrophobicContact CE1-CB 3.96Å; F119-C140 HydrophobicContact CE2-CB 4.12Å; F119-C140 HydrophobicContact CG-CB 3.89Å; F119-C140 HydrophobicContact CZ-CB 4.07Å; F119-C140 WeakPolarHBondContact CZ-O 3.38Å; H136-C140 PolarHBondContact O-N 3.16Å; H136-C140 PolarHBondContact O-SG 3.38Å; H136-C140 VanDerWaalsContact O-SG 3.38Å; I137-C140 PolarHBondContact O-N 3.26Å; C140-F144 WeakPolarHBondContact O-CB 3.14Å; C140-F144 PolarHBondContact O-N 3.25Å
141	L	97.9	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-45.5	173.4	179.7	60.2	0	0	0	111.7	L91 M93 I102 I137 A138 N139 E143 F144 L145 L157 I200 M206 V208	L91-L141 HydrophobicContact CD1-CD1 4.31Å; M93-L141 HydrophobicContact CE-CB 3.51Å; M93-L141 HydrophobicContact CE-CD1 3.71Å; M93-L141 HydrophobicContact CE-CD2 3.52Å; M93-L141 HydrophobicContact CE-CG 3.73Å; I102-L141 VanDerWaalsContact CD1-CA 3.46Å; I102-L141 HydrophobicContact CD1-CB 4.05Å; I102-L141 HydrophobicContact CD1-CD1 4.31Å; I102-L141 HydrophobicContact CG2-CD1 4.06Å; I137-L141 PolarHBondContact O-N 2.98Å; A138-L141 WeakPolarHBondContact O-CB 3.46Å; A138-L141 PolarHBondContact O-N 3.45Å; N139-L141 VanDerWaalsContact C-N 3.29Å; N139-L141 PolarHBondContact O-N 3.02Å; L141-E143 VanDerWaalsContact C-N 3.33Å; L141-E143 PolarHBondContact O-N 3.02Å; L141-F144 PolarHBondContact O-N 3.45Å; L141-L145 HydrophobicContact CD1-CD1 4.18Å; L141-L145 HydrophobicContact CD1-CD2 4.34Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CD2-CD1 4.48Å; L141-L145 HydrophobicContact CG-CD1 3.97Å; L141-L145 HydrophobicContact CG-CG 4.23Å; L141-L145 VanDerWaalsContact O-CG 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 2.84Å; L141-L157 HydrophobicContact CD2-CD2 4.46Å; L141-I200 HydrophobicContact CD2-CD1 3.95Å; L141-I200 HydrophobicContact CD2-CG1 4.08Å; L141-M206 HydrophobicContact CB-CE 4.46Å; L141-M206 HydrophobicContact CD2-CE 3.71Å; L141-M206 HydrophobicContact CD2-SD 4.39Å; L141-M206 HydrophobicContact CG-CE 4.15Å; L141-M206 HydrophobicContact CG-SD 4.22Å; L141-V208 HydrophobicContact CD2-CB 4.32Å; L141-V208 HydrophobicContact CD2-CG1 4.16Å; L141-V208 HydrophobicContact CD2-CG2 4.3Å
142	H	98	Very high	97	Very high	37 Å²	37	45.4 Å²	45.4	17%	0.171	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-48.2	178.5	-173.3	-118.3	0	0	0	111.5	A138 N139 F144 L145 I146 H203 D205 M206	A138-H142 PolarHBondContact O-N 3.34Å; N139-H142 WeakPolarHBondContact O-CB 3.33Å; N139-H142 PolarHBondContact O-N 3.29Å; H142-F144 VanDerWaalsContact C-N 3.35Å; H142-F144 PolarHBondContact O-N 2.83Å; H142-L145 PolarHBondContact O-N 2.93Å; H142-I146 WeakPolarHBondContact O-CG1 3.47Å; H142-I146 PolarHBondContact O-N 2.95Å; H142-H203 AromaticContact CD2-ND1 3.89Å; H142-H203 AromaticContact CG-CE1 3.99Å; H142-H203 AromaticContact CG-ND1 3.74Å; H142-H203 AromaticContact ND1-ND1 3.88Å; H142-D205 IonicContact CD2-OD1 3.12Å; H142-D205 IonicContact CD2-OD2 3.96Å; H142-D205 IonicContact CE1-OD2 3.84Å; H142-D205 IonicContact NE2-OD1 2.73Å; H142-D205 PolarHBondContact NE2-OD1 2.91Å; H142-D205 IonicContact NE2-OD2 3.71Å; H142-D205 PolarHBondContact NE2-OD2 3.32Å; H142-M206 WeakPolarHBondContact CA-SD 3.35Å; H142-M206 HydrophobicContact CB-SD 3.51Å; H142-M206 VanDerWaalsContact CB-SD 3.51Å
143	E	97.6	Very high	96.9	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.379	23%	0.231	S	C	.	.	H	α-helix	trans	-58	-46.8	175.6	-165.4	-173.3	156.2	0	0	111.4	R117 N139 L141 L145 I146 D147	R117-E143 IonicContact CZ-OE1 3.22Å; R117-E143 VanDerWaalsContact NH1-CD 3.28Å; R117-E143 IonicContact NH1-OE1 2.69Å; R117-E143 PolarHBondContact NH1-OE1 2.85Å; R117-E143 IonicContact NH2-OE1 3.26Å; R117-E143 PolarHBondContact NH2-OE1 3.19Å; N139-E143 PolarHBondContact O-N 3.5Å; L141-E143 VanDerWaalsContact C-N 3.33Å; L141-E143 PolarHBondContact O-N 3.02Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 2.8Å; E143-I146 PolarHBondContact O-N 3.05Å; E143-D147 PolarHBondContact O-N 3.1Å
144	F	97.7	Very high	96.8	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-39.6	177.6	-177.7	-93.3	0	0	0	112.9	L91 I102 L104 I115 R117 F119 C140 L141 H142 N148	L91-F144 HydrophobicContact CD2-CD1 4.31Å; L91-F144 HydrophobicContact CD2-CE1 3.94Å; I102-F144 HydrophobicContact CB-CD1 4.46Å; I102-F144 HydrophobicContact CB-CD2 4.28Å; I102-F144 HydrophobicContact CB-CG 4.19Å; I102-F144 HydrophobicContact CD1-CB 4.21Å; I102-F144 HydrophobicContact CG2-CB 4.27Å; I102-F144 HydrophobicContact CG2-CD1 3.54Å; I102-F144 HydrophobicContact CG2-CD2 4.2Å; I102-F144 HydrophobicContact CG2-CE1 3.85Å; I102-F144 HydrophobicContact CG2-CE2 4.45Å; I102-F144 HydrophobicContact CG2-CG 3.73Å; I102-F144 HydrophobicContact CG2-CZ 4.29Å; L104-F144 HydrophobicContact CB-CE1 4.02Å; L104-F144 HydrophobicContact CB-CZ 4.05Å; I115-F144 HydrophobicContact CG2-CE2 4.48Å; I115-F144 HydrophobicContact CG2-CZ 4.4Å; R117-F144 HydrophobicContact CB-CD2 3.63Å; R117-F144 HydrophobicContact CB-CE2 3.81Å; F119-F144 HydrophobicContact CZ-CB 4.43Å; C140-F144 WeakPolarHBondContact O-CB 3.14Å; C140-F144 PolarHBondContact O-N 3.25Å; L141-F144 PolarHBondContact O-N 3.45Å; H142-F144 VanDerWaalsContact C-N 3.35Å; H142-F144 PolarHBondContact O-N 2.83Å; F144-N148 PolarHBondContact O-N 3.45Å; F144-N148 PolarHBondContact O-ND2 2.78Å
145	L	97.6	Very high	96.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-69.4	-36	178.4	-67.6	174.1	0	0	0	112.2	L91 L141 H142 E143 H149 L150 I151 M206 V208	L91-L145 HydrophobicContact CD1-CD2 3.93Å; L91-L145 HydrophobicContact CD2-CD2 4.3Å; L141-L145 HydrophobicContact CD1-CD1 4.18Å; L141-L145 HydrophobicContact CD1-CD2 4.34Å; L141-L145 HydrophobicContact CD1-CG 3.99Å; L141-L145 HydrophobicContact CD2-CD1 4.48Å; L141-L145 HydrophobicContact CG-CD1 3.97Å; L141-L145 HydrophobicContact CG-CG 4.23Å; L141-L145 VanDerWaalsContact O-CG 3.3Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 2.84Å; H142-L145 PolarHBondContact O-N 2.93Å; E143-L145 VanDerWaalsContact C-N 3.34Å; E143-L145 PolarHBondContact O-N 2.8Å; L145-H149 PolarHBondContact O-N 3.3Å; L145-H149 VanDerWaalsContact O-N 3.16Å; L145-L150 HydrophobicContact CB-CB 4.47Å; L145-L150 HydrophobicContact CD2-CB 3.73Å; L145-L150 HydrophobicContact CD2-CD1 4.23Å; L145-L150 PolarHBondContact O-N 2.81Å; L145-I151 HydrophobicContact CB-CD1 3.61Å; L145-I151 HydrophobicContact CB-CG1 4.14Å; L145-I151 HydrophobicContact CD1-CD1 4.43Å; L145-M206 HydrophobicContact CD1-CB 4.26Å; L145-M206 HydrophobicContact CD1-CG 3.85Å; L145-M206 HydrophobicContact CD1-SD 3.81Å; L145-V208 HydrophobicContact CD1-CG2 3.81Å
146	I	97.2	Very high	96.6	Very high	83 Å²	83	52.6 Å²	52.6	43%	0.426	25%	0.25	S	S	.	.	H	α-helix	trans	-62.2	-52.2	174	-71.1	168.4	0	0	0	110	H142 E143 N148 H149 I151	H142-I146 WeakPolarHBondContact O-CG1 3.47Å; H142-I146 PolarHBondContact O-N 2.95Å; E143-I146 PolarHBondContact O-N 3.05Å; I146-N148 PolarHBondContact O-N 3.45Å; I146-H149 PolarHBondContact O-N 2.91Å; I146-I151 HydrophobicContact CB-CG1 4.41Å; I146-I151 HydrophobicContact CG1-CD1 3.89Å; I146-I151 HydrophobicContact CG1-CG1 3.63Å
147	D	96.8	Very high	96.6	Very high	86 Å²	86	50.4 Å²	50.4	46%	0.46	24%	0.24	S	C	.	.	H	α-helix	trans	-59.6	-31	-176.1	-72	-12.1	0	0	0	112.8	R117 E143	R117-D147 IonicContact CZ-OD2 3.26Å; R117-D147 IonicContact NH1-OD2 2.95Å; R117-D147 PolarHBondContact NH1-OD2 3.11Å; E143-D147 PolarHBondContact O-N 3.1Å
148	N	96.1	Very high	96.6	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	8	-178.6	-67.2	-82.8	0	0	0	113.3	F144 I146 L150	F144-N148 PolarHBondContact O-N 3.45Å; F144-N148 PolarHBondContact O-ND2 2.78Å; I146-N148 PolarHBondContact O-N 3.45Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 HydrophobicContact CB-CD1 4.11Å; N148-L150 HydrophobicContact CB-CG 4.19Å; N148-L150 WeakPolarHBondContact O-CG 3.34Å; N148-L150 PolarHBondContact O-N 2.87Å
149	H	96.2	Very high	96.6	Very high	171 Å²	171	50.4 Å²	50.4	79%	0.792	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	38.1	179.2	-47.7	-53.9	0	0	0	114.2	L145 I146	L145-H149 PolarHBondContact O-N 3.3Å; L145-H149 VanDerWaalsContact O-N 3.16Å; I146-H149 PolarHBondContact O-N 2.91Å
150	L	95.6	Very high	96.5	Very high	30 Å²	30	47 Å²	47	16%	0.157	22%	0.222	C	C	.	.			trans	-109.3	6.6	-178.4	-62.2	176.3	0	0	0	113.5	L104 L145 N148 N152 E153 I155	L104-L150 HydrophobicContact CD1-CD1 3.76Å; L104-L150 HydrophobicContact CD2-CD1 3.69Å; L104-L150 HydrophobicContact CG-CD1 4.25Å; L145-L150 HydrophobicContact CB-CB 4.47Å; L145-L150 HydrophobicContact CD2-CB 3.73Å; L145-L150 HydrophobicContact CD2-CD1 4.23Å; L145-L150 PolarHBondContact O-N 2.81Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 HydrophobicContact CB-CD1 4.11Å; N148-L150 HydrophobicContact CB-CG 4.19Å; N148-L150 WeakPolarHBondContact O-CG 3.34Å; N148-L150 PolarHBondContact O-N 2.87Å; L150-N152 PolarHBondContact O-N 3.5Å; L150-E153 HydrophobicContact CD2-CG 4.48Å; L150-E153 WeakPolarHBondContact O-CB 3.47Å; L150-E153 PolarHBondContact O-N 2.9Å; L150-E153 VanDerWaalsContact O-N 3.14Å; L150-I155 HydrophobicContact CB-CD1 3.99Å; L150-I155 HydrophobicContact CD1-CD1 3.8Å; L150-I155 HydrophobicContact CD2-CD1 4Å; L150-I155 HydrophobicContact CG-CD1 4.14Å
151	I	95.6	Very high	96.4	Very high	37 Å²	37	46.8 Å²	46.8	19%	0.19	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.6	172.8	-67.8	-65.9	0	0	0	109.6	L145 I146 E153 D205 M206	L145-I151 HydrophobicContact CB-CD1 3.61Å; L145-I151 HydrophobicContact CB-CG1 4.14Å; L145-I151 HydrophobicContact CD1-CD1 4.43Å; I146-I151 HydrophobicContact CB-CG1 4.41Å; I146-I151 HydrophobicContact CG1-CD1 3.89Å; I146-I151 HydrophobicContact CG1-CG1 3.63Å; I151-E153 PolarHBondContact O-N 3.39Å; I151-D205 HydrophobicContact CG2-CB 3.75Å; I151-M206 HydrophobicContact CD1-CG 4.41Å
152	N	94.6	Very high	96.1	Very high	83 Å²	83	47 Å²	47	44%	0.444	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-4.3	-172	-59.8	-62.5	0	0	0	117.1	L150 D205 K207	L150-N152 PolarHBondContact O-N 3.5Å; N152-D205 WeakPolarHBondContact CA-O 3.5Å; N152-D205 PolarHBondContact N-O 3.09Å; N152-K207 VanDerWaalsContact O-CD 3.24Å; N152-K207 WeakPolarHBondContact O-CD 3.39Å; N152-K207 WeakPolarHBondContact O-CE 3.44Å; N152-K207 PolarHBondContact O-NZ 2.75Å
153	E	94.7	Very high	95.7	Very high	112 Å²	112	45.4 Å²	45.4	52%	0.523	21%	0.214	S	C	.	.			trans	-78	140.9	174.5	-68.8	-59.1	147.8	0	0	111.7	L150 I151 I155 K207	L150-E153 HydrophobicContact CD2-CG 4.48Å; L150-E153 WeakPolarHBondContact O-CB 3.47Å; L150-E153 PolarHBondContact O-N 2.9Å; L150-E153 VanDerWaalsContact O-N 3.14Å; I151-E153 PolarHBondContact O-N 3.39Å; E153-I155 HydrophobicContact CB-CD1 4Å; E153-I155 HydrophobicContact CB-CG1 3.98Å; E153-I155 PolarHBondContact O-N 2.98Å; E153-K207 WeakPolarHBondContact O-CB 3.3Å
154	R	94.4	Very high	95.4	Very high	206 Å²	206	41.6 Å²	41.6	78%	0.777	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	101.3	177.1	-76.7	-177.6	177.5	177.4	1.2	109.7	K207	R154-K207 WeakPolarHBondContact CA-O 3.46Å; R154-K207 HydrophobicContact CG-CB 3.86Å; R154-K207 HydrophobicContact CG-CD 4.05Å
155	I	95.3	Very high	95.3	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.8	-175.8	-50.4	178.1	0	0	0	110.2	L91 L150 E153 K207 V208 K209	L91-I155 HydrophobicContact CB-CG2 4.37Å; L91-I155 HydrophobicContact CD1-CB 3.89Å; L91-I155 HydrophobicContact CD1-CD1 4.47Å; L91-I155 HydrophobicContact CD1-CG2 3.81Å; L91-I155 HydrophobicContact CG-CB 4.35Å; L91-I155 HydrophobicContact CG-CG2 3.71Å; L150-I155 HydrophobicContact CB-CD1 3.99Å; L150-I155 HydrophobicContact CD1-CD1 3.8Å; L150-I155 HydrophobicContact CD2-CD1 4Å; L150-I155 HydrophobicContact CG-CD1 4.14Å; E153-I155 HydrophobicContact CB-CD1 4Å; E153-I155 HydrophobicContact CB-CG1 3.98Å; E153-I155 PolarHBondContact O-N 2.98Å; I155-K207 PolarHBondContact N-O 2.91Å; I155-V208 WeakPolarHBondContact O-CA 3.2Å; I155-K209 PolarHBondContact O-N 2.83Å
156	P	96.3	Very high	95.1	Very high	7 Å²	7	49 Å²	49	5%	0.045	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.6	172.2	-13.6	29.2	0	0	0	111	Y90 L91 V211 W485	Y90-P156 HydrophobicContact CD1-CB 3.98Å; Y90-P156 HydrophobicContact CD1-CG 4.05Å; Y90-P156 HydrophobicContact CE1-CB 4.19Å; Y90-P156 HydrophobicContact CE1-CG 3.9Å; L91-P156 PolarHBondContact N-O 2.89Å; P156-V211 HydrophobicContact CB-CG1 4.12Å; P156-V211 HydrophobicContact CB-CG2 3.73Å; P156-W485 HydrophobicContact CB-CB 4.35Å; P156-W485 HydrophobicContact CB-CD2 4.11Å; P156-W485 HydrophobicContact CB-CE3 4.17Å; P156-W485 HydrophobicContact CB-CG 4.23Å; P156-W485 HydrophobicContact CG-CB 4.18Å; P156-W485 HydrophobicContact CG-CD2 3.47Å; P156-W485 VanDerWaalsContact CG-CD2 3.47Å; P156-W485 HydrophobicContact CG-CE3 3.94Å; P156-W485 HydrophobicContact CG-CG 3.6Å; P156-W485 HydrophobicContact CG-CZ2 4.21Å; P156-W485 HydrophobicContact CG-CZ3 4.46Å
157	L	97.3	Very high	94.9	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.7	-179.4	168.7	62.8	0	0	0	110.8	L91 M93 L141 L196 I200 V208 K209 V210 V211	L91-L157 HydrophobicContact CB-CB 4.15Å; L91-L157 HydrophobicContact CB-CD1 3.67Å; L91-L157 HydrophobicContact CB-CG 4.49Å; L91-L157 WeakPolarHBondContact O-CA 3.45Å; M93-L157 HydrophobicContact CB-CD1 4.1Å; M93-L157 HydrophobicContact CE-CD2 3.86Å; M93-L157 HydrophobicContact CG-CD1 3.77Å; M93-L157 HydrophobicContact CG-CD2 4.38Å; M93-L157 HydrophobicContact SD-CD1 4.26Å; M93-L157 HydrophobicContact SD-CD2 3.78Å; L141-L157 HydrophobicContact CD2-CD2 4.46Å; L157-L196 HydrophobicContact CD2-CD2 4.47Å; L157-I200 HydrophobicContact CD2-CD1 4.04Å; L157-V208 HydrophobicContact CB-CG1 3.54Å; L157-V208 HydrophobicContact CD2-CG1 3.87Å; L157-V208 HydrophobicContact CG-CG1 4.34Å; L157-K209 PolarHBondContact N-O 2.85Å; L157-V210 HydrophobicContact CD2-CG2 4.02Å; L157-V210 WeakPolarHBondContact O-CA 3.46Å; L157-V211 WeakPolarHBondContact O-CG2 3.18Å; L157-V211 PolarHBondContact O-N 2.87Å
158	G	97.4	Very high	94.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.7	163.9	0	0	0	0	0	110.7	L91 A92 M93	L91-G158 PolarHBondContact O-N 2.97Å; A92-G158 CarbonylContact C-O 3.51Å; A92-G158 VanDerWaalsContact CA-O 3.32Å; A92-G158 WeakPolarHBondContact CA-O 3.32Å; M93-G158 PolarHBondContact N-O 2.95Å
159	F	97.2	Very high	94.2	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	104.1	-178.3	-173.8	-157.3	0	0	0	111.5	M93 L95 F134 F161 L196 V210 A212 L213 L214	M93-F159 HydrophobicContact CB-CD2 3.51Å; M93-F159 HydrophobicContact CB-CE2 4.02Å; M93-F159 HydrophobicContact CB-CG 4.4Å; L95-F159 HydrophobicContact CB-CE2 3.79Å; L95-F159 HydrophobicContact CB-CZ 4.15Å; L95-F159 HydrophobicContact CD2-CZ 4.18Å; F134-F159 HydrophobicContact CE1-CE1 4.47Å; F159-F161 HydrophobicContact CD1-CB 4.23Å; F159-F161 HydrophobicContact CD2-CB 4.47Å; F159-F161 HydrophobicContact CE1-CB 4.07Å; F159-F161 AromaticContact CE1-CD2 3.76Å; F159-F161 HydrophobicContact CE1-CD2 3.76Å; F159-F161 HydrophobicContact CE1-CG 4.14Å; F159-F161 HydrophobicContact CE2-CB 4.33Å; F159-F161 HydrophobicContact CE2-CD2 4.23Å; F159-F161 HydrophobicContact CG-CB 4.44Å; F159-F161 HydrophobicContact CZ-CB 4.14Å; F159-F161 AromaticContact CZ-CD2 3.49Å; F159-F161 HydrophobicContact CZ-CD2 3.49Å; F159-F161 VanDerWaalsContact CZ-CD2 3.49Å; F159-F161 HydrophobicContact CZ-CE2 4.29Å; F159-F161 HydrophobicContact CZ-CG 4.19Å; F159-F161 PolarHBondContact O-N 3.02Å; F159-L196 HydrophobicContact CB-CD2 4.4Å; F159-L196 HydrophobicContact CD1-CD2 3.42Å; F159-L196 VanDerWaalsContact CD1-CD2 3.42Å; F159-L196 HydrophobicContact CE1-CD2 3.66Å; F159-L196 HydrophobicContact CG-CD2 3.9Å; F159-L196 HydrophobicContact CZ-CD2 4.3Å; F159-V210 HydrophobicContact CB-CG1 4.32Å; F159-A212 PolarHBondContact N-O 3.18Å; F159-L213 HydrophobicContact CD1-CD1 4.11Å; F159-L213 WeakPolarHBondContact O-CA 3.17Å; F159-L214 WeakPolarHBondContact O-CD2 3.22Å; F159-L214 PolarHBondContact O-N 2.77Å
160	T	96.7	Very high	94	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	108.7	165.6	-66.2	0	0	0	0	109.3	M93 L95 L214 D216 S473 A477	M93-T160 WeakPolarHBondContact O-CA 3.45Å; M93-T160 WeakPolarHBondContact O-CB 3.43Å; M93-T160 PolarHBondContact O-N 3.41Å; L95-T160 PolarHBondContact N-O 3.42Å; T160-L214 WeakPolarHBondContact CA-O 3.48Å; T160-D216 HydrophobicContact CG2-CB 3.92Å; T160-S473 PolarHBondContact OG1-O 3.46Å; T160-A477 WeakPolarHBondContact OG1-CB 3.18Å
161	F	94.9	Very high	93.9	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	95.7	-179.8	-174	-108.4	0	0	0	108	L95 F159 F163 L175 W178 V192 L213 L214	L95-F161 HydrophobicContact CB-CD2 4.46Å; L95-F161 HydrophobicContact CD2-CD2 4.01Å; L95-F161 HydrophobicContact CD2-CE2 3.87Å; F159-F161 HydrophobicContact CD1-CB 4.23Å; F159-F161 HydrophobicContact CD2-CB 4.47Å; F159-F161 HydrophobicContact CE1-CB 4.07Å; F159-F161 AromaticContact CE1-CD2 3.76Å; F159-F161 HydrophobicContact CE1-CD2 3.76Å; F159-F161 HydrophobicContact CE1-CG 4.14Å; F159-F161 HydrophobicContact CE2-CB 4.33Å; F159-F161 HydrophobicContact CE2-CD2 4.23Å; F159-F161 HydrophobicContact CG-CB 4.44Å; F159-F161 HydrophobicContact CZ-CB 4.14Å; F159-F161 AromaticContact CZ-CD2 3.49Å; F159-F161 HydrophobicContact CZ-CD2 3.49Å; F159-F161 VanDerWaalsContact CZ-CD2 3.49Å; F159-F161 HydrophobicContact CZ-CE2 4.29Å; F159-F161 HydrophobicContact CZ-CG 4.19Å; F159-F161 PolarHBondContact O-N 3.02Å; F161-F163 HydrophobicContact CD1-CB 4.11Å; F161-F163 AromaticContact CD1-CD2 3.88Å; F161-F163 HydrophobicContact CD1-CD2 3.88Å; F161-F163 HydrophobicContact CD1-CG 4.49Å; F161-F163 AromaticContact CD2-CD2 3.78Å; F161-F163 HydrophobicContact CD2-CD2 3.78Å; F161-F163 HydrophobicContact CD2-CE2 4.12Å; F161-F163 HydrophobicContact CE1-CB 3.79Å; F161-F163 AromaticContact CE1-CD2 3.67Å; F161-F163 HydrophobicContact CE1-CD2 3.67Å; F161-F163 HydrophobicContact CE1-CG 4.11Å; F161-F163 AromaticContact CE2-CD2 3.55Å; F161-F163 HydrophobicContact CE2-CD2 3.55Å; F161-F163 AromaticContact CE2-CE2 3.83Å; F161-F163 HydrophobicContact CE2-CE2 3.83Å; F161-F163 AromaticContact CG-CD2 3.95Å; F161-F163 HydrophobicContact CG-CD2 3.95Å; F161-F163 HydrophobicContact CZ-CB 4.32Å; F161-F163 AromaticContact CZ-CD2 3.5Å; F161-F163 HydrophobicContact CZ-CD2 3.5Å; F161-F163 HydrophobicContact CZ-CE2 4.16Å; F161-F163 HydrophobicContact CZ-CG 4.18Å; F161-F163 PolarHBondContact O-N 3.49Å; F161-L175 HydrophobicContact CE1-CD1 3.98Å; F161-L175 HydrophobicContact CZ-CD1 4.49Å; F161-W178 HydrophobicContact CE1-CZ3 4.48Å; F161-W178 AromaticContact CE2-CH2 3.99Å; F161-W178 HydrophobicContact CE2-CH2 3.99Å; F161-W178 HydrophobicContact CE2-CZ3 4.05Å; F161-W178 AromaticContact CZ-CH2 3.53Å; F161-W178 HydrophobicContact CZ-CH2 3.53Å; F161-W178 AromaticContact CZ-CZ3 3.55Å; F161-W178 HydrophobicContact CZ-CZ3 3.55Å; F161-V192 HydrophobicContact CD1-CG2 4.06Å; F161-V192 HydrophobicContact CE1-CB 4.35Å; F161-V192 HydrophobicContact CE1-CG1 3.98Å; F161-V192 HydrophobicContact CE1-CG2 4.04Å; F161-V192 HydrophobicContact CZ-CG1 4.1Å; F161-L213 HydrophobicContact CB-CD1 3.83Å; F161-L213 HydrophobicContact CB-CD2 4.46Å; F161-L213 HydrophobicContact CB-CG 4.1Å; F161-L213 HydrophobicContact CD1-CD1 4.32Å; F161-L213 HydrophobicContact CG-CD1 4.32Å; F161-L214 PolarHBondContact N-O 3.25Å
162	S	91	Very high	93.8	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.035	21%	0.207	C	C	.	.			trans	-78.2	49.7	-168.2	-55.1	0	0	0	0	113	L95 K180 D216	L95-S162 PolarHBondContact O-N 2.73Å; L95-S162 VanDerWaalsContact O-N 3.09Å; S162-K180 WeakPolarHBondContact O-CE 3.45Å; S162-K180 PolarHBondContact O-NZ 3.21Å; S162-D216 WeakPolarHBondContact CB-OD2 3.36Å; S162-D216 VanDerWaalsContact OG-CB 3.22Å; S162-D216 WeakPolarHBondContact OG-CB 3.45Å; S162-D216 PolarHBondContact OG-OD2 2.91Å
163	F	90	Very high	93.9	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	19%	0.186	C	C	.	.	S	Bend	trans	-130.2	155.6	177.1	-56.9	-85.1	0	0	0	109.7	L95 F161 C165 L175 W178 T179 F182	L95-F163 HydrophobicContact CG-CE2 4.4Å; F161-F163 HydrophobicContact CD1-CB 4.11Å; F161-F163 AromaticContact CD1-CD2 3.88Å; F161-F163 HydrophobicContact CD1-CD2 3.88Å; F161-F163 HydrophobicContact CD1-CG 4.49Å; F161-F163 AromaticContact CD2-CD2 3.78Å; F161-F163 HydrophobicContact CD2-CD2 3.78Å; F161-F163 HydrophobicContact CD2-CE2 4.12Å; F161-F163 HydrophobicContact CE1-CB 3.79Å; F161-F163 AromaticContact CE1-CD2 3.67Å; F161-F163 HydrophobicContact CE1-CD2 3.67Å; F161-F163 HydrophobicContact CE1-CG 4.11Å; F161-F163 AromaticContact CE2-CD2 3.55Å; F161-F163 HydrophobicContact CE2-CD2 3.55Å; F161-F163 AromaticContact CE2-CE2 3.83Å; F161-F163 HydrophobicContact CE2-CE2 3.83Å; F161-F163 AromaticContact CG-CD2 3.95Å; F161-F163 HydrophobicContact CG-CD2 3.95Å; F161-F163 HydrophobicContact CZ-CB 4.32Å; F161-F163 AromaticContact CZ-CD2 3.5Å; F161-F163 HydrophobicContact CZ-CD2 3.5Å; F161-F163 HydrophobicContact CZ-CE2 4.16Å; F161-F163 HydrophobicContact CZ-CG 4.18Å; F161-F163 PolarHBondContact O-N 3.49Å; F163-C165 PolarHBondContact O-N 2.86Å; F163-L175 HydrophobicContact CB-CD1 3.76Å; F163-W178 AromaticContact CD1-CE3 3.55Å; F163-W178 HydrophobicContact CD1-CE3 3.55Å; F163-W178 AromaticContact CD1-CZ3 3.84Å; F163-W178 HydrophobicContact CD1-CZ3 3.84Å; F163-W178 HydrophobicContact CD2-CE3 4.26Å; F163-W178 AromaticContact CD2-CZ3 3.69Å; F163-W178 HydrophobicContact CD2-CZ3 3.69Å; F163-W178 AromaticContact CE1-CE3 3.68Å; F163-W178 HydrophobicContact CE1-CE3 3.68Å; F163-W178 AromaticContact CE1-CZ3 3.84Å; F163-W178 HydrophobicContact CE1-CZ3 3.84Å; F163-W178 HydrophobicContact CE2-CE3 4.37Å; F163-W178 AromaticContact CE2-CZ3 3.7Å; F163-W178 HydrophobicContact CE2-CZ3 3.7Å; F163-W178 AromaticContact CG-CE3 3.85Å; F163-W178 HydrophobicContact CG-CE3 3.85Å; F163-W178 AromaticContact CG-CZ3 3.75Å; F163-W178 HydrophobicContact CG-CZ3 3.75Å; F163-W178 HydrophobicContact CZ-CE3 4.09Å; F163-W178 AromaticContact CZ-CZ3 3.76Å; F163-W178 HydrophobicContact CZ-CZ3 3.76Å; F163-T179 WeakPolarHBondContact CD1-OG1 3.47Å; F163-T179 WeakPolarHBondContact CE1-O 3.36Å; F163-F182 HydrophobicContact CE1-CB 4.11Å; F163-F182 AromaticContact CE1-CD2 3.75Å; F163-F182 HydrophobicContact CE1-CD2 3.75Å; F163-F182 HydrophobicContact CE1-CE2 4.41Å; F163-F182 HydrophobicContact CE1-CG 4.04Å; F163-F182 HydrophobicContact CZ-CB 4.4Å; F163-F182 HydrophobicContact CZ-CD1 4.43Å; F163-F182 AromaticContact CZ-CD2 3.48Å; F163-F182 HydrophobicContact CZ-CD2 3.48Å; F163-F182 VanDerWaalsContact CZ-CD2 3.48Å; F163-F182 AromaticContact CZ-CE2 3.73Å; F163-F182 HydrophobicContact CZ-CE2 3.73Å; F163-F182 AromaticContact CZ-CG 3.86Å; F163-F182 HydrophobicContact CZ-CG 3.86Å; F163-F182 HydrophobicContact CZ-CZ 4.33Å
164	P	90.6	Very high	94.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	17%	0.171	C	C	.	.			trans	-64.1	110.7	179.2	-17.4	28	0	0	0	111	I176 T177 T179 E284	P164-I176 HydrophobicContact CB-CB 4.35Å; P164-I176 HydrophobicContact CB-CD1 4.43Å; P164-I176 WeakPolarHBondContact O-CB 3.45Å; P164-I176 PolarHBondContact O-N 2.84Å; P164-T177 WeakPolarHBondContact CD-O 3.5Å; P164-T177 HydrophobicContact CG-CG2 4.13Å; P164-T179 HydrophobicContact CG-CG2 4.1Å; P164-E284 HydrophobicContact CB-CG 4.38Å
165	C	95	Very high	94.2	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.8	177.6	-73.6	0	0	0	0	111	L74 F163 Q167 A173 T174 L213	L74-C165 WeakPolarHBondContact CD1-O 3.36Å; F163-C165 PolarHBondContact O-N 2.86Å; C165-Q167 PolarHBondContact O-N 3.45Å; C165-A173 HydrophobicContact CB-CB 4.13Å; C165-T174 CarbonylContact C-O 3.49Å; C165-T174 VanDerWaalsContact CA-O 3.28Å; C165-T174 WeakPolarHBondContact CA-O 3.38Å; C165-L213 HydrophobicContact CB-CD2 4.41Å
166	R	94	Very high	94.1	Very high	152 Å²	152	29.2 Å²	29.2	57%	0.574	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.7	165.8	-176	-178.3	-63.2	134.2	-0.7	107.6	A173 T174 I176	R166-A173 WeakPolarHBondContact O-CA 3.34Å; R166-T174 PolarHBondContact N-O 2.95Å; R166-T174 PolarHBondContact O-N 2.65Å; R166-I176 HydrophobicContact CB-CD1 4.18Å; R166-I176 HydrophobicContact CB-CG1 4.18Å
167	Q	93.4	Very high	93.8	Very high	19 Å²	19	31.8 Å²	31.8	9%	0.089	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.4	174.4	-70	-174.5	-109.4	0	0	110.6	Y77 C165 E169 L170 D172 A173 L213	Y77-Q167 HydrophobicContact CD2-CB 3.76Å; Y77-Q167 HydrophobicContact CE2-CB 3.82Å; Y77-Q167 VanDerWaalsContact CE2-O 3.29Å; Y77-Q167 WeakPolarHBondContact CE2-O 3.48Å; C165-Q167 PolarHBondContact O-N 3.45Å; Q167-E169 PolarHBondContact NE2-O 3.15Å; Q167-L170 PolarHBondContact NE2-O 3.25Å; Q167-D172 WeakPolarHBondContact CA-O 3.43Å; Q167-A173 HydrophobicContact CG-CB 3.79Å; Q167-L213 PolarHBondContact NE2-O 2.64Å; Q167-L213 VanDerWaalsContact NE2-O 3.1Å
168	N	88.6	Confident	93.4	Very high	84 Å²	84	32.6 Å²	32.6	45%	0.449	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-27	167.7	-58.7	-55.4	0	0	0	111.1	Y77 D172	Y77-N168 WeakPolarHBondContact CE1-O 3.5Å; Y77-N168 PolarHBondContact OH-O 2.58Å; N168-D172 HydrophobicContact CB-CB 4.34Å; N168-D172 PolarHBondContact N-O 2.55Å; N168-D172 PolarHBondContact ND2-OD1 2.93Å
169	E	89.9	Confident	92.5	Very high	128 Å²	128	33.8 Å²	33.8	60%	0.598	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	177.8	174	-64.2	-172.6	-176.4	0	0	109	Q167 A171 D172	Q167-E169 PolarHBondContact NE2-O 3.15Å; E169-A171 VanDerWaalsContact C-N 3.26Å; E169-A171 PolarHBondContact O-N 2.84Å; E169-D172 HydrophobicContact CB-CB 4.13Å; E169-D172 PolarHBondContact O-N 3.35Å; E169-D172 VanDerWaalsContact O-O 3.07Å
170	L	91	Very high	91.4	Very high	31 Å²	31	36 Å²	36	16%	0.162	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.4	-178.6	-166.1	60.2	0	0	0	113.1	S76 V78 Q167 A212 L213 V480 A484	S76-L170 WeakPolarHBondContact O-CD1 3.42Å; V78-L170 HydrophobicContact CG2-CD1 3.78Å; Q167-L170 PolarHBondContact NE2-O 3.25Å; L170-A212 HydrophobicContact CD1-CB 4.43Å; L170-A212 HydrophobicContact CD2-CB 4.18Å; L170-A212 HydrophobicContact CG-CB 3.86Å; L170-A212 CarbonylContact O-C 3.5Å; L170-A212 WeakPolarHBondContact O-CA 3.21Å; L170-L213 PolarHBondContact O-N 2.66Å; L170-V480 HydrophobicContact CD1-CG1 3.76Å; L170-V480 HydrophobicContact CD2-CG1 3.9Å; L170-V480 HydrophobicContact CG-CG1 4.17Å; L170-A484 HydrophobicContact CD2-CB 3.45Å; L170-A484 VanDerWaalsContact CD2-CB 3.45Å
171	A	93.7	Very high	90.5	Very high	36 Å²	36	37.9 Å²	37.9	30%	0.298	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	21.8	177.5	0	0	0	0	0	113.2	E169 V193	E169-A171 VanDerWaalsContact C-N 3.26Å; E169-A171 PolarHBondContact O-N 2.84Å; A171-V193 HydrophobicContact CB-CG1 4.38Å; A171-V193 WeakPolarHBondContact O-CB 3.44Å; A171-V193 WeakPolarHBondContact O-CG1 3.46Å
172	D	94.8	Very high	90.1	Very high	50 Å²	50	38.2 Å²	38.2	27%	0.267	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	111.5	175.2	-173.3	-61.4	0	0	0	109.2	Q167 N168 E169 N191	Q167-D172 WeakPolarHBondContact CA-O 3.43Å; N168-D172 HydrophobicContact CB-CB 4.34Å; N168-D172 PolarHBondContact N-O 2.55Å; N168-D172 PolarHBondContact ND2-OD1 2.93Å; E169-D172 HydrophobicContact CB-CB 4.13Å; E169-D172 PolarHBondContact O-N 3.35Å; E169-D172 VanDerWaalsContact O-O 3.07Å; D172-N191 PolarHBondContact OD1-ND2 2.89Å; D172-N191 PolarHBondContact OD2-ND2 3.04Å
173	A	96.5	Very high	90	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	119.8	-172.7	0	0	0	0	0	111.6	C165 R166 Q167 N191 V192 V193 L213	C165-A173 HydrophobicContact CB-CB 4.13Å; R166-A173 WeakPolarHBondContact O-CA 3.34Å; Q167-A173 HydrophobicContact CG-CB 3.79Å; A173-N191 CarbonylContact O-C 3.57Å; A173-N191 WeakPolarHBondContact O-CA 3.47Å; A173-N191 PolarHBondContact O-OD1 3.12Å; A173-V192 HydrophobicContact CB-CG2 4.24Å; A173-V192 WeakPolarHBondContact O-CG2 3.45Å; A173-V192 PolarHBondContact O-N 3.24Å; A173-V193 HydrophobicContact CB-CG2 4.26Å; A173-L213 HydrophobicContact CB-CB 4.32Å; A173-L213 HydrophobicContact CB-CD1 3.9Å; A173-L213 HydrophobicContact CB-CD2 3.71Å; A173-L213 HydrophobicContact CB-CG 4.19Å
174	T	97.7	Very high	90.2	Very high	35 Å²	35	43.3 Å²	43.3	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.3	175.7	-63.6	0	0	0	0	111.1	C165 R166 I176 G189 K190	C165-T174 CarbonylContact C-O 3.49Å; C165-T174 VanDerWaalsContact CA-O 3.28Å; C165-T174 WeakPolarHBondContact CA-O 3.38Å; R166-T174 PolarHBondContact N-O 2.95Å; R166-T174 PolarHBondContact O-N 2.65Å; T174-I176 PolarHBondContact O-N 3.47Å; T174-G189 VanDerWaalsContact CG2-C 3.44Å; T174-K190 VanDerWaalsContact CA-O 3.31Å; T174-K190 WeakPolarHBondContact CA-O 3.36Å
175	L	96.2	Very high	90.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127	177	177.5	68.6	0	0	0	110.8	F161 F163 T177 W178 V187 V188 G189 K190 V192	F161-L175 HydrophobicContact CE1-CD1 3.98Å; F161-L175 HydrophobicContact CZ-CD1 4.49Å; F163-L175 HydrophobicContact CB-CD1 3.76Å; L175-T177 WeakPolarHBondContact CD1-O 3.17Å; L175-W178 HydrophobicContact CD1-CE3 4.44Å; L175-W178 HydrophobicContact CD2-CD2 3.59Å; L175-W178 HydrophobicContact CD2-CE3 4.04Å; L175-W178 HydrophobicContact CD2-CG 4.07Å; L175-W178 HydrophobicContact CD2-CH2 4.14Å; L175-W178 HydrophobicContact CD2-CZ2 3.68Å; L175-W178 HydrophobicContact CD2-CZ3 4.29Å; L175-V187 HydrophobicContact CB-CG1 4.44Å; L175-V187 HydrophobicContact CD2-CB 4.02Å; L175-V187 HydrophobicContact CD2-CG1 3.64Å; L175-V188 HydrophobicContact CD2-CG2 3.94Å; L175-V188 HydrophobicContact CG-CG2 4.47Å; L175-G189 PolarHBondContact O-N 2.98Å; L175-K190 PolarHBondContact N-O 2.69Å; L175-K190 VanDerWaalsContact N-O 3.07Å; L175-V192 HydrophobicContact CB-CG1 3.87Å
176	I	93.8	Very high	90.5	Very high	55 Å²	55	52 Å²	52	28%	0.282	28%	0.283	S	S	.	.			trans	-85.3	-49.2	178.3	-59.4	170.8	0	0	0	110.8	K72 L74 P164 R166 T174 V188	K72-I176 HydrophobicContact CD-CD1 4.41Å; L74-I176 HydrophobicContact CD1-CD1 4.26Å; L74-I176 HydrophobicContact CD2-CD1 4.14Å; P164-I176 HydrophobicContact CB-CB 4.35Å; P164-I176 HydrophobicContact CB-CD1 4.43Å; P164-I176 WeakPolarHBondContact O-CB 3.45Å; P164-I176 PolarHBondContact O-N 2.84Å; R166-I176 HydrophobicContact CB-CD1 4.18Å; R166-I176 HydrophobicContact CB-CG1 4.18Å; T174-I176 PolarHBondContact O-N 3.47Å; I176-V188 WeakPolarHBondContact O-CG1 3.3Å
177	T	90.6	Very high	90.6	Very high	61 Å²	61	44.8 Å²	44.8	37%	0.374	26%	0.255	S	S	.	.			trans	-160.1	148.4	-179.9	-175.4	0	0	0	0	109.6	P164 L175	P164-T177 WeakPolarHBondContact CD-O 3.5Å; P164-T177 HydrophobicContact CG-CG2 4.13Å; L175-T177 WeakPolarHBondContact CD1-O 3.17Å
178	W	88.3	Confident	90.8	Very high	18 Å²	18	47.6 Å²	47.6	7%	0.068	27%	0.273	C	S	.	.			trans	-73.6	155.7	168.4	-72.6	120	0	0	0	112.1	L133 F161 F163 L175 F182 C184 V187 V188	L133-W178 HydrophobicContact CD2-CH2 4.23Å; F161-W178 HydrophobicContact CE1-CZ3 4.48Å; F161-W178 AromaticContact CE2-CH2 3.99Å; F161-W178 HydrophobicContact CE2-CH2 3.99Å; F161-W178 HydrophobicContact CE2-CZ3 4.05Å; F161-W178 AromaticContact CZ-CH2 3.53Å; F161-W178 HydrophobicContact CZ-CH2 3.53Å; F161-W178 AromaticContact CZ-CZ3 3.55Å; F161-W178 HydrophobicContact CZ-CZ3 3.55Å; F163-W178 AromaticContact CD1-CE3 3.55Å; F163-W178 HydrophobicContact CD1-CE3 3.55Å; F163-W178 AromaticContact CD1-CZ3 3.84Å; F163-W178 HydrophobicContact CD1-CZ3 3.84Å; F163-W178 HydrophobicContact CD2-CE3 4.26Å; F163-W178 AromaticContact CD2-CZ3 3.69Å; F163-W178 HydrophobicContact CD2-CZ3 3.69Å; F163-W178 AromaticContact CE1-CE3 3.68Å; F163-W178 HydrophobicContact CE1-CE3 3.68Å; F163-W178 AromaticContact CE1-CZ3 3.84Å; F163-W178 HydrophobicContact CE1-CZ3 3.84Å; F163-W178 HydrophobicContact CE2-CE3 4.37Å; F163-W178 AromaticContact CE2-CZ3 3.7Å; F163-W178 HydrophobicContact CE2-CZ3 3.7Å; F163-W178 AromaticContact CG-CE3 3.85Å; F163-W178 HydrophobicContact CG-CE3 3.85Å; F163-W178 AromaticContact CG-CZ3 3.75Å; F163-W178 HydrophobicContact CG-CZ3 3.75Å; F163-W178 HydrophobicContact CZ-CE3 4.09Å; F163-W178 AromaticContact CZ-CZ3 3.76Å; F163-W178 HydrophobicContact CZ-CZ3 3.76Å; L175-W178 HydrophobicContact CD1-CE3 4.44Å; L175-W178 HydrophobicContact CD2-CD2 3.59Å; L175-W178 HydrophobicContact CD2-CE3 4.04Å; L175-W178 HydrophobicContact CD2-CG 4.07Å; L175-W178 HydrophobicContact CD2-CH2 4.14Å; L175-W178 HydrophobicContact CD2-CZ2 3.68Å; L175-W178 HydrophobicContact CD2-CZ3 4.29Å; W178-F182 HydrophobicContact CB-CB 4.26Å; W178-F182 WeakPolarHBondContact CB-O 3.39Å; W178-F182 HydrophobicContact CD2-CB 3.79Å; W178-F182 HydrophobicContact CE3-CB 3.49Å; W178-F182 VanDerWaalsContact CE3-CB 3.49Å; W178-F182 HydrophobicContact CE3-CD1 4.49Å; W178-F182 HydrophobicContact CE3-CG 4.16Å; W178-F182 HydrophobicContact CG-CB 4.17Å; W178-F182 HydrophobicContact CH2-CD1 4.42Å; W178-F182 HydrophobicContact CZ3-CB 4.02Å; W178-F182 HydrophobicContact CZ3-CD1 4.18Å; W178-F182 HydrophobicContact CZ3-CG 4.21Å; W178-C184 HydrophobicContact CZ2-CB 3.94Å; W178-C184 PolarHBondContact NE1-O 2.83Å; W178-V187 HydrophobicContact CH2-CG1 4.29Å; W178-V187 HydrophobicContact CZ2-CB 3.68Å; W178-V187 HydrophobicContact CZ2-CG1 3.61Å; W178-V187 HydrophobicContact CZ2-CG2 3.9Å; W178-V188 HydrophobicContact CG-CG2 4.48Å
179	T	79.1	Confident	91.2	Very high	24 Å²	24	46 Å²	46	15%	0.147	28%	0.277	C	S	.	.			trans	-142.1	178.1	174.1	65.8	0	0	0	0	109.5	F163 P164 G181 F182	F163-T179 WeakPolarHBondContact CD1-OG1 3.47Å; F163-T179 WeakPolarHBondContact CE1-O 3.36Å; P164-T179 HydrophobicContact CG-CG2 4.1Å; T179-G181 VanDerWaalsContact C-N 3.28Å; T179-G181 PolarHBondContact O-N 2.92Å; T179-G181 VanDerWaalsContact O-N 3.13Å; T179-F182 PolarHBondContact O-N 2.59Å; T179-F182 VanDerWaalsContact O-N 3.12Å
180	K	74.1	Confident	91.6	Very high	48 Å²	48	45.5 Å²	45.5	21%	0.209	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	36	168.1	-58.4	174.4	-75.1	167.9	0	115	G96 S162 F182	G96-K180 WeakPolarHBondContact O-CE 3.32Å; G96-K180 PolarHBondContact O-NZ 3.34Å; S162-K180 WeakPolarHBondContact O-CE 3.45Å; S162-K180 PolarHBondContact O-NZ 3.21Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.29Å
181	G	76.5	Confident	91.9	Very high	38 Å²	38	45.2 Å²	45.2	39%	0.392	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-2	176.8	0	0	0	0	0	115.5	T179	T179-G181 VanDerWaalsContact C-N 3.28Å; T179-G181 PolarHBondContact O-N 2.92Å; T179-G181 VanDerWaalsContact O-N 3.13Å
182	F	86.8	Confident	92	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.039	26%	0.257	C	S	.	.			trans	-76.6	145.4	167.7	-77	-101	0	0	0	110.5	L95 G97 M126 L133 F163 W178 T179 K180	L95-F182 HydrophobicContact CD1-CZ 4.19Å; G97-F182 WeakPolarHBondContact O-CZ 3.43Å; M126-F182 HydrophobicContact CB-CD1 4.09Å; M126-F182 HydrophobicContact CB-CE1 4.17Å; M126-F182 HydrophobicContact CB-CG 4.46Å; M126-F182 HydrophobicContact CE-CD2 3.68Å; M126-F182 HydrophobicContact CE-CE1 4.43Å; M126-F182 HydrophobicContact CE-CE2 3.38Å; M126-F182 HydrophobicContact CE-CG 4.34Å; M126-F182 HydrophobicContact CE-CZ 3.8Å; M126-F182 HydrophobicContact CG-CD1 4.29Å; M126-F182 HydrophobicContact CG-CE1 3.85Å; M126-F182 HydrophobicContact CG-CE2 4.46Å; M126-F182 HydrophobicContact CG-CZ 3.95Å; M126-F182 CarbonylContact O-C 3.54Å; M126-F182 WeakPolarHBondContact O-CA 3.23Å; L133-F182 HydrophobicContact CD1-CE1 4.46Å; L133-F182 HydrophobicContact CD2-CD1 4.4Å; L133-F182 HydrophobicContact CD2-CE1 4.24Å; F163-F182 HydrophobicContact CE1-CB 4.11Å; F163-F182 AromaticContact CE1-CD2 3.75Å; F163-F182 HydrophobicContact CE1-CD2 3.75Å; F163-F182 HydrophobicContact CE1-CE2 4.41Å; F163-F182 HydrophobicContact CE1-CG 4.04Å; F163-F182 HydrophobicContact CZ-CB 4.4Å; F163-F182 HydrophobicContact CZ-CD1 4.43Å; F163-F182 AromaticContact CZ-CD2 3.48Å; F163-F182 HydrophobicContact CZ-CD2 3.48Å; F163-F182 VanDerWaalsContact CZ-CD2 3.48Å; F163-F182 AromaticContact CZ-CE2 3.73Å; F163-F182 HydrophobicContact CZ-CE2 3.73Å; F163-F182 AromaticContact CZ-CG 3.86Å; F163-F182 HydrophobicContact CZ-CG 3.86Å; F163-F182 HydrophobicContact CZ-CZ 4.33Å; W178-F182 HydrophobicContact CB-CB 4.26Å; W178-F182 WeakPolarHBondContact CB-O 3.39Å; W178-F182 HydrophobicContact CD2-CB 3.79Å; W178-F182 HydrophobicContact CE3-CB 3.49Å; W178-F182 VanDerWaalsContact CE3-CB 3.49Å; W178-F182 HydrophobicContact CE3-CD1 4.49Å; W178-F182 HydrophobicContact CE3-CG 4.16Å; W178-F182 HydrophobicContact CG-CB 4.17Å; W178-F182 HydrophobicContact CH2-CD1 4.42Å; W178-F182 HydrophobicContact CZ3-CB 4.02Å; W178-F182 HydrophobicContact CZ3-CD1 4.18Å; W178-F182 HydrophobicContact CZ3-CG 4.21Å; T179-F182 PolarHBondContact O-N 2.59Å; T179-F182 VanDerWaalsContact O-N 3.12Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.29Å
183	N	88.6	Confident	92.2	Very high	111 Å²	111	41.5 Å²	41.5	59%	0.594	25%	0.247	S	C	*	.			trans	-159	48.4	171.8	-166.3	20.5	0	0	0	111.2	M126 K185	M126-N183 PolarHBondContact O-N 3.29Å; N183-K185 PolarHBondContact O-N 3.21Å
184	C	94.2	Very high	92.2	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.02	27%	0.27	C	S	.	.			trans	-69.8	127.5	-177.4	-53.7	0	0	0	0	111.1	L125 M126 G128 W178 V187	L125-C184 PolarHBondContact O-SG 2.89Å; M126-C184 VanDerWaalsContact C-SG 3.57Å; M126-C184 PolarHBondContact O-SG 3.36Å; G128-C184 CarbonylContact O-C 3.59Å; G128-C184 VanDerWaalsContact O-CA 3.23Å; G128-C184 WeakPolarHBondContact O-CA 3.43Å; W178-C184 HydrophobicContact CZ2-CB 3.94Å; W178-C184 PolarHBondContact NE1-O 2.83Å; C184-V187 HydrophobicContact CB-CG2 3.91Å
185	K	95.3	Very high	92.2	Very high	135 Å²	135	45.9 Å²	45.9	59%	0.587	27%	0.265	S	S	*	.	B	Isolated β-bridge	trans	-65.1	140.2	178.1	-65	179.9	-177.1	175	0	110.9	G128 G130 N183	G128-K185 PolarHBondContact O-N 3.28Å; G130-K185 PolarHBondContact N-O 3.2Å; N183-K185 PolarHBondContact O-N 3.21Å
186	G	96.9	Very high	92.3	Very high	55 Å²	55	45.9 Å²	45.9	57%	0.567	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	3.8	173.6	0	0	0	0	0	115.8	K190	G186-K190 WeakPolarHBondContact O-CG 3.42Å
187	V	97.4	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-36.3	179.5	-168.6	0	0	0	0	112.8	F134 L175 W178 C184 G189 K190 V192 M195	F134-V187 HydrophobicContact CE2-CG1 3.9Å; F134-V187 HydrophobicContact CE2-CG2 4.12Å; F134-V187 HydrophobicContact CZ-CG1 4.26Å; L175-V187 HydrophobicContact CB-CG1 4.44Å; L175-V187 HydrophobicContact CD2-CB 4.02Å; L175-V187 HydrophobicContact CD2-CG1 3.64Å; W178-V187 HydrophobicContact CH2-CG1 4.29Å; W178-V187 HydrophobicContact CZ2-CB 3.68Å; W178-V187 HydrophobicContact CZ2-CG1 3.61Å; W178-V187 HydrophobicContact CZ2-CG2 3.9Å; C184-V187 HydrophobicContact CB-CG2 3.91Å; V187-G189 PolarHBondContact O-N 3.13Å; V187-K190 WeakPolarHBondContact O-CB 3.4Å; V187-K190 PolarHBondContact O-N 3.13Å; V187-V192 HydrophobicContact CG1-CG1 3.79Å; V187-M195 HydrophobicContact CG1-SD 4.12Å; V187-M195 HydrophobicContact CG2-CE 4.2Å
188	V	96.5	Very high	92.9	Very high	77 Å²	77	47 Å²	47	47%	0.467	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	129.5	178.3	176.4	0	0	0	0	109.6	L175 I176 W178 K190	L175-V188 HydrophobicContact CD2-CG2 3.94Å; L175-V188 HydrophobicContact CG-CG2 4.47Å; I176-V188 WeakPolarHBondContact O-CG1 3.3Å; W178-V188 HydrophobicContact CG-CG2 4.48Å; V188-K190 VanDerWaalsContact C-N 3.3Å
189	G	96.9	Very high	93.4	Very high	51 Å²	51	46.7 Å²	46.7	53%	0.526	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	6.1	-174.6	0	0	0	0	0	114.9	T174 L175 V187	T174-G189 VanDerWaalsContact CG2-C 3.44Å; L175-G189 PolarHBondContact O-N 2.98Å; V187-G189 PolarHBondContact O-N 3.13Å
190	K	97.8	Very high	94.3	Very high	118 Å²	118	45.6 Å²	45.6	51%	0.513	26%	0.259	S	S	.	.	S	Bend	trans	-106.1	153.7	174.2	-59.4	-57.7	-172.6	174	0	112.3	T174 L175 G186 V187 V188 V192 M195	T174-K190 VanDerWaalsContact CA-O 3.31Å; T174-K190 WeakPolarHBondContact CA-O 3.36Å; L175-K190 PolarHBondContact N-O 2.69Å; L175-K190 VanDerWaalsContact N-O 3.07Å; G186-K190 WeakPolarHBondContact O-CG 3.42Å; V187-K190 WeakPolarHBondContact O-CB 3.4Å; V187-K190 PolarHBondContact O-N 3.13Å; V188-K190 VanDerWaalsContact C-N 3.3Å; K190-V192 PolarHBondContact O-N 2.7Å; K190-M195 HydrophobicContact CB-SD 3.65Å; K190-M195 HydrophobicContact CG-SD 4.29Å
191	N	97.7	Very high	95.4	Very high	24 Å²	24	47.8 Å²	47.8	13%	0.128	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-74.5	109.2	173	-177.4	-32.2	0	0	0	109.9	D172 A173 V193 Q194 M195	D172-N191 PolarHBondContact OD1-ND2 2.89Å; D172-N191 PolarHBondContact OD2-ND2 3.04Å; A173-N191 CarbonylContact O-C 3.57Å; A173-N191 WeakPolarHBondContact O-CA 3.47Å; A173-N191 PolarHBondContact O-OD1 3.12Å; N191-V193 VanDerWaalsContact C-N 3.34Å; N191-V193 PolarHBondContact O-N 2.81Å; N191-V193 WeakPolarHBondContact OD1-CA 3.42Å; N191-V193 WeakPolarHBondContact OD1-CB 3.15Å; N191-V193 PolarHBondContact OD1-N 3.44Å; N191-Q194 HydrophobicContact CB-CB 4.03Å; N191-Q194 PolarHBondContact O-N 3.39Å; N191-Q194 PolarHBondContact OD1-N 3.4Å; N191-M195 WeakPolarHBondContact O-CG 3.32Å; N191-M195 PolarHBondContact O-N 3.21Å; N191-M195 VanDerWaalsContact O-N 3.07Å
192	V	97.3	Very high	96.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-74.7	-23.9	-174.9	-63.4	0	0	0	0	113.1	F134 F161 A173 L175 V187 K190 L196 L213	F134-V192 HydrophobicContact CE1-CB 4.44Å; F134-V192 HydrophobicContact CZ-CB 4Å; F134-V192 HydrophobicContact CZ-CG1 4.09Å; F161-V192 HydrophobicContact CD1-CG2 4.06Å; F161-V192 HydrophobicContact CE1-CB 4.35Å; F161-V192 HydrophobicContact CE1-CG1 3.98Å; F161-V192 HydrophobicContact CE1-CG2 4.04Å; F161-V192 HydrophobicContact CZ-CG1 4.1Å; A173-V192 HydrophobicContact CB-CG2 4.24Å; A173-V192 WeakPolarHBondContact O-CG2 3.45Å; A173-V192 PolarHBondContact O-N 3.24Å; L175-V192 HydrophobicContact CB-CG1 3.87Å; V187-V192 HydrophobicContact CG1-CG1 3.79Å; K190-V192 PolarHBondContact O-N 2.7Å; V192-L196 WeakPolarHBondContact O-CB 3.09Å; V192-L196 PolarHBondContact O-N 3.43Å; V192-L213 HydrophobicContact CG2-CD1 3.37Å
193	V	97.4	Very high	96.9	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.048	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-44.7	173.5	178.3	0	0	0	0	109.7	A171 A173 N191 L196 Q197 V210 L213	A171-V193 HydrophobicContact CB-CG1 4.38Å; A171-V193 WeakPolarHBondContact O-CB 3.44Å; A171-V193 WeakPolarHBondContact O-CG1 3.46Å; A173-V193 HydrophobicContact CB-CG2 4.26Å; N191-V193 VanDerWaalsContact C-N 3.34Å; N191-V193 PolarHBondContact O-N 2.81Å; N191-V193 WeakPolarHBondContact OD1-CA 3.42Å; N191-V193 WeakPolarHBondContact OD1-CB 3.15Å; N191-V193 PolarHBondContact OD1-N 3.44Å; V193-L196 PolarHBondContact O-N 3.01Å; V193-Q197 WeakPolarHBondContact O-CB 3.31Å; V193-Q197 PolarHBondContact O-N 3Å; V193-V210 HydrophobicContact CG1-CB 3.87Å; V193-V210 HydrophobicContact CG1-CG1 3.66Å; V193-L213 HydrophobicContact CG2-CB 3.68Å; V193-L213 HydrophobicContact CG2-CD1 3.74Å; V193-L213 HydrophobicContact CG2-CG 4.38Å
194	Q	97.8	Very high	97.2	Very high	105 Å²	105	56 Å²	56	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-48.9	175.3	-178.3	-179.5	-5.6	0	0	111.2	N191 L196 Q197 E198	N191-Q194 HydrophobicContact CB-CB 4.03Å; N191-Q194 PolarHBondContact O-N 3.39Å; N191-Q194 PolarHBondContact OD1-N 3.4Å; Q194-L196 VanDerWaalsContact C-N 3.31Å; Q194-L196 PolarHBondContact O-N 3.06Å; Q194-Q197 PolarHBondContact O-N 3.29Å; Q194-Q197 VanDerWaalsContact O-N 3.16Å; Q194-E198 HydrophobicContact CG-CG 4.3Å; Q194-E198 VanDerWaalsContact CG-OE1 3.29Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.43Å; Q194-E198 PolarHBondContact NE2-OE1 3.22Å; Q194-E198 WeakPolarHBondContact O-CB 3.5Å; Q194-E198 WeakPolarHBondContact O-CG 3.47Å; Q194-E198 PolarHBondContact O-N 3.44Å
195	M	98.1	Very high	97.3	Very high	23 Å²	23	58.2 Å²	58.2	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-57.6	-43.1	178.4	-68.2	-178.1	79	0	0	112.2	F134 V187 K190 N191 A199	F134-M195 HydrophobicContact CD1-CB 4.37Å; F134-M195 HydrophobicContact CD2-CB 3.93Å; F134-M195 HydrophobicContact CD2-CE 3.8Å; F134-M195 HydrophobicContact CD2-SD 4.33Å; F134-M195 HydrophobicContact CE1-CB 4.4Å; F134-M195 HydrophobicContact CE2-CB 3.98Å; F134-M195 HydrophobicContact CE2-CE 3.85Å; F134-M195 HydrophobicContact CE2-SD 3.88Å; F134-M195 HydrophobicContact CG-CB 4.14Å; F134-M195 HydrophobicContact CZ-CB 4.22Å; V187-M195 HydrophobicContact CG1-SD 4.12Å; V187-M195 HydrophobicContact CG2-CE 4.2Å; K190-M195 HydrophobicContact CB-SD 3.65Å; K190-M195 HydrophobicContact CG-SD 4.29Å; N191-M195 WeakPolarHBondContact O-CG 3.32Å; N191-M195 PolarHBondContact O-N 3.21Å; N191-M195 VanDerWaalsContact O-N 3.07Å; M195-A199 WeakPolarHBondContact O-CB 3.37Å; M195-A199 PolarHBondContact O-N 3.43Å; M195-A199 VanDerWaalsContact O-N 3.08Å
196	L	98.1	Very high	97.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-45.2	175.6	178.1	59.5	0	0	0	111.8	M93 F134 I137 L157 F159 V192 V193 Q194 E198 A199 I200 V210	M93-L196 HydrophobicContact SD-CD2 4.14Å; F134-L196 HydrophobicContact CD1-CB 3.89Å; F134-L196 HydrophobicContact CD1-CD1 4.3Å; F134-L196 HydrophobicContact CE1-CB 4.13Å; I137-L196 HydrophobicContact CB-CD1 4.48Å; I137-L196 HydrophobicContact CG2-CD1 3.63Å; L157-L196 HydrophobicContact CD2-CD2 4.47Å; F159-L196 HydrophobicContact CB-CD2 4.4Å; F159-L196 HydrophobicContact CD1-CD2 3.42Å; F159-L196 VanDerWaalsContact CD1-CD2 3.42Å; F159-L196 HydrophobicContact CE1-CD2 3.66Å; F159-L196 HydrophobicContact CG-CD2 3.9Å; F159-L196 HydrophobicContact CZ-CD2 4.3Å; V192-L196 WeakPolarHBondContact O-CB 3.09Å; V192-L196 PolarHBondContact O-N 3.43Å; V193-L196 PolarHBondContact O-N 3.01Å; Q194-L196 VanDerWaalsContact C-N 3.31Å; Q194-L196 PolarHBondContact O-N 3.06Å; L196-E198 VanDerWaalsContact C-N 3.32Å; L196-E198 PolarHBondContact O-N 3.05Å; L196-A199 PolarHBondContact O-N 3.38Å; L196-I200 HydrophobicContact CD1-CD1 4.05Å; L196-I200 HydrophobicContact CD1-CG1 4.23Å; L196-I200 HydrophobicContact CG-CD1 3.89Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CB 3.38Å; L196-I200 WeakPolarHBondContact O-CG1 3.3Å; L196-I200 PolarHBondContact O-N 2.98Å; L196-V210 HydrophobicContact CD2-CG2 3.86Å; L196-V210 HydrophobicContact CG-CG2 4.04Å
197	Q	98.1	Very high	97.4	Very high	36 Å²	36	54.3 Å²	54.3	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-39.2	-179.9	-172.5	65.1	68.2	0	0	111.6	V193 Q194 I200 N201 V208	V193-Q197 WeakPolarHBondContact O-CB 3.31Å; V193-Q197 PolarHBondContact O-N 3Å; Q194-Q197 PolarHBondContact O-N 3.29Å; Q194-Q197 VanDerWaalsContact O-N 3.16Å; Q197-I200 PolarHBondContact O-N 3.03Å; Q197-N201 PolarHBondContact NE2-OD1 3.16Å; Q197-N201 WeakPolarHBondContact O-CB 3.22Å; Q197-N201 PolarHBondContact O-N 2.88Å; Q197-N201 PolarHBondContact O-ND2 2.85Å; Q197-N201 PolarHBondContact O-OD1 3.36Å; Q197-V208 PolarHBondContact NE2-O 2.93Å; Q197-V208 VanDerWaalsContact NE2-O 3.11Å
198	E	98.1	Very high	97.4	Very high	104 Å²	104	54.6 Å²	54.6	49%	0.486	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-45.3	174.3	-74.4	172.8	-177.4	0	0	111.5	Q194 L196 I200 N201 T202	Q194-E198 HydrophobicContact CG-CG 4.3Å; Q194-E198 VanDerWaalsContact CG-OE1 3.29Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.43Å; Q194-E198 PolarHBondContact NE2-OE1 3.22Å; Q194-E198 WeakPolarHBondContact O-CB 3.5Å; Q194-E198 WeakPolarHBondContact O-CG 3.47Å; Q194-E198 PolarHBondContact O-N 3.44Å; L196-E198 VanDerWaalsContact C-N 3.32Å; L196-E198 PolarHBondContact O-N 3.05Å; E198-I200 PolarHBondContact O-N 3.18Å; E198-N201 PolarHBondContact O-N 3.44Å; E198-T202 PolarHBondContact O-N 2.81Å
199	A	98.1	Very high	97.4	Very high	12 Å²	12	56.4 Å²	56.4	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-42.4	175.7	0	0	0	0	0	112	F134 A138 M195 L196 N201 T202	F134-A199 HydrophobicContact CB-CB 3.98Å; F134-A199 WeakPolarHBondContact O-CB 3.3Å; A138-A199 HydrophobicContact CB-CB 3.89Å; M195-A199 WeakPolarHBondContact O-CB 3.37Å; M195-A199 PolarHBondContact O-N 3.43Å; M195-A199 VanDerWaalsContact O-N 3.08Å; L196-A199 PolarHBondContact O-N 3.38Å; A199-N201 PolarHBondContact O-N 3.19Å; A199-T202 WeakPolarHBondContact O-CB 3.18Å; A199-T202 PolarHBondContact O-N 3.42Å; A199-T202 PolarHBondContact O-OG1 3.13Å
200	I	98.2	Very high	97.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-46.4	174.1	-77.1	171.3	0	0	0	111	A138 L141 L157 L196 Q197 E198 T202 H203 M206 V208 V210	A138-I200 HydrophobicContact CB-CG1 4.37Å; L141-I200 HydrophobicContact CD2-CD1 3.95Å; L141-I200 HydrophobicContact CD2-CG1 4.08Å; L157-I200 HydrophobicContact CD2-CD1 4.04Å; L196-I200 HydrophobicContact CD1-CD1 4.05Å; L196-I200 HydrophobicContact CD1-CG1 4.23Å; L196-I200 HydrophobicContact CG-CD1 3.89Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CB 3.38Å; L196-I200 WeakPolarHBondContact O-CG1 3.3Å; L196-I200 PolarHBondContact O-N 2.98Å; Q197-I200 PolarHBondContact O-N 3.03Å; E198-I200 PolarHBondContact O-N 3.18Å; I200-T202 PolarHBondContact O-N 3.12Å; I200-T202 VanDerWaalsContact O-N 3.09Å; I200-H203 PolarHBondContact O-N 3.22Å; I200-M206 HydrophobicContact CB-CE 3.89Å; I200-M206 HydrophobicContact CG1-CE 3.84Å; I200-M206 HydrophobicContact CG2-CE 3.59Å; I200-V208 HydrophobicContact CG2-CB 4.43Å; I200-V210 HydrophobicContact CD1-CG2 3.99Å
201	N	97.5	Very high	97.3	Very high	95 Å²	95	49.3 Å²	49.3	51%	0.508	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-12.2	-176.5	-69	-12.2	0	0	0	113.9	Q197 E198 A199 H203	Q197-N201 PolarHBondContact NE2-OD1 3.16Å; Q197-N201 WeakPolarHBondContact O-CB 3.22Å; Q197-N201 PolarHBondContact O-N 2.88Å; Q197-N201 PolarHBondContact O-ND2 2.85Å; Q197-N201 PolarHBondContact O-OD1 3.36Å; E198-N201 PolarHBondContact O-N 3.44Å; A199-N201 PolarHBondContact O-N 3.19Å; N201-H203 PolarHBondContact O-N 3.32Å
202	T	97.5	Very high	97.2	Very high	93 Å²	93	48.1 Å²	48.1	57%	0.571	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.4	170.8	67.5	0	0	0	0	112.4	E198 A199 I200	E198-T202 PolarHBondContact O-N 2.81Å; A199-T202 WeakPolarHBondContact O-CB 3.18Å; A199-T202 PolarHBondContact O-N 3.42Å; A199-T202 PolarHBondContact O-OG1 3.13Å; I200-T202 PolarHBondContact O-N 3.12Å; I200-T202 VanDerWaalsContact O-N 3.09Å
203	H	97.2	Very high	97.1	Very high	35 Å²	35	48.2 Å²	48.2	16%	0.162	24%	0.235	C	C	.	.	S	Bend	trans	-94.9	99	172.6	-65.2	-81.1	0	0	0	110	N139 H142 I200 N201 D205 M206	N139-H203 PolarHBondContact OD1-CE1 3.29Å; N139-H203 PolarHBondContact OD1-NE2 2.88Å; H142-H203 AromaticContact CD2-ND1 3.89Å; H142-H203 AromaticContact CG-CE1 3.99Å; H142-H203 AromaticContact CG-ND1 3.74Å; H142-H203 AromaticContact ND1-ND1 3.88Å; I200-H203 PolarHBondContact O-N 3.22Å; N201-H203 PolarHBondContact O-N 3.32Å; H203-D205 PolarHBondContact O-N 2.66Å; H203-D205 VanDerWaalsContact O-N 3.14Å; H203-M206 HydrophobicContact CB-CB 4.28Å; H203-M206 HydrophobicContact CB-CE 4.25Å; H203-M206 HydrophobicContact CB-CG 3.71Å; H203-M206 HydrophobicContact CB-SD 3.98Å; H203-M206 PolarHBondContact O-N 3.3Å; H203-M206 VanDerWaalsContact O-N 3.1Å
204	K	95.4	Very high	97	Very high	202 Å²	202	47.9 Å²	47.9	88%	0.878	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.8	-172.5	-62.9	-169.4	178.8	-177.6	0	114.7
205	D	96.9	Very high	96.8	Very high	50 Å²	50	43.3 Å²	43.3	27%	0.267	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.9	179.4	61.2	-27.5	0	0	0	112.8	H142 I151 N152 H203	H142-D205 IonicContact CD2-OD1 3.12Å; H142-D205 IonicContact CD2-OD2 3.96Å; H142-D205 IonicContact CE1-OD2 3.84Å; H142-D205 IonicContact NE2-OD1 2.73Å; H142-D205 PolarHBondContact NE2-OD1 2.91Å; H142-D205 IonicContact NE2-OD2 3.71Å; H142-D205 PolarHBondContact NE2-OD2 3.32Å; I151-D205 HydrophobicContact CG2-CB 3.75Å; N152-D205 WeakPolarHBondContact CA-O 3.5Å; N152-D205 PolarHBondContact N-O 3.09Å; H203-D205 PolarHBondContact O-N 2.66Å; H203-D205 VanDerWaalsContact O-N 3.14Å
206	M	97.2	Very high	96.6	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.049	21%	0.213	C	C	.	.			trans	-88.6	112.2	171.3	-58.6	-164.4	-21	0	0	110.9	L141 H142 L145 I151 I200 H203 V208	L141-M206 HydrophobicContact CB-CE 4.46Å; L141-M206 HydrophobicContact CD2-CE 3.71Å; L141-M206 HydrophobicContact CD2-SD 4.39Å; L141-M206 HydrophobicContact CG-CE 4.15Å; L141-M206 HydrophobicContact CG-SD 4.22Å; H142-M206 WeakPolarHBondContact CA-SD 3.35Å; H142-M206 HydrophobicContact CB-SD 3.51Å; H142-M206 VanDerWaalsContact CB-SD 3.51Å; L145-M206 HydrophobicContact CD1-CB 4.26Å; L145-M206 HydrophobicContact CD1-CG 3.85Å; L145-M206 HydrophobicContact CD1-SD 3.81Å; I151-M206 HydrophobicContact CD1-CG 4.41Å; I200-M206 HydrophobicContact CB-CE 3.89Å; I200-M206 HydrophobicContact CG1-CE 3.84Å; I200-M206 HydrophobicContact CG2-CE 3.59Å; H203-M206 HydrophobicContact CB-CB 4.28Å; H203-M206 HydrophobicContact CB-CE 4.25Å; H203-M206 HydrophobicContact CB-CG 3.71Å; H203-M206 HydrophobicContact CB-SD 3.98Å; H203-M206 PolarHBondContact O-N 3.3Å; H203-M206 VanDerWaalsContact O-N 3.1Å; M206-V208 VanDerWaalsContact C-N 3.31Å; M206-V208 PolarHBondContact O-N 3.26Å
207	K	96	Very high	96.5	Very high	98 Å²	98	43.5 Å²	43.5	43%	0.426	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	44.3	174.1	-54.9	-172.5	-163.3	143.9	0	112.1	N152 E153 R154 I155	N152-K207 VanDerWaalsContact O-CD 3.24Å; N152-K207 WeakPolarHBondContact O-CD 3.39Å; N152-K207 WeakPolarHBondContact O-CE 3.44Å; N152-K207 PolarHBondContact O-NZ 2.75Å; E153-K207 WeakPolarHBondContact O-CB 3.3Å; R154-K207 WeakPolarHBondContact CA-O 3.46Å; R154-K207 HydrophobicContact CG-CB 3.86Å; R154-K207 HydrophobicContact CG-CD 4.05Å; I155-K207 PolarHBondContact N-O 2.91Å
208	V	97.3	Very high	96.4	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.8	-179.5	177.5	0	0	0	0	110.4	L91 L141 L145 I155 L157 Q197 I200 M206	L91-V208 HydrophobicContact CD1-CG1 4.04Å; L91-V208 HydrophobicContact CD1-CG2 3.66Å; L141-V208 HydrophobicContact CD2-CB 4.32Å; L141-V208 HydrophobicContact CD2-CG1 4.16Å; L141-V208 HydrophobicContact CD2-CG2 4.3Å; L145-V208 HydrophobicContact CD1-CG2 3.81Å; I155-V208 WeakPolarHBondContact O-CA 3.2Å; L157-V208 HydrophobicContact CB-CG1 3.54Å; L157-V208 HydrophobicContact CD2-CG1 3.87Å; L157-V208 HydrophobicContact CG-CG1 4.34Å; Q197-V208 PolarHBondContact NE2-O 2.93Å; Q197-V208 VanDerWaalsContact NE2-O 3.11Å; I200-V208 HydrophobicContact CG2-CB 4.43Å; M206-V208 VanDerWaalsContact C-N 3.31Å; M206-V208 PolarHBondContact O-N 3.26Å
209	K	96.6	Very high	96.2	Very high	116 Å²	116	36.8 Å²	36.8	50%	0.504	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.6	174.4	-171.7	179.5	179.3	-177.2	0	109.9	I155 L157 V211 W485	I155-K209 PolarHBondContact O-N 2.83Å; L157-K209 PolarHBondContact N-O 2.85Å; K209-V211 HydrophobicContact CB-CG1 4.26Å; K209-V211 HydrophobicContact CD-CG1 4.11Å; K209-V211 HydrophobicContact CG-CG1 4Å; K209-V211 PolarHBondContact O-N 2.8Å; K209-W485 HydrophobicContact CD-CZ3 4.17Å
210	V	97	Very high	96.1	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	114.3	169.5	-169.7	0	0	0	0	107.8	L157 F159 V193 L196 I200	L157-V210 HydrophobicContact CD2-CG2 4.02Å; L157-V210 WeakPolarHBondContact O-CA 3.46Å; F159-V210 HydrophobicContact CB-CG1 4.32Å; V193-V210 HydrophobicContact CG1-CB 3.87Å; V193-V210 HydrophobicContact CG1-CG1 3.66Å; L196-V210 HydrophobicContact CD2-CG2 3.86Å; L196-V210 HydrophobicContact CG-CG2 4.04Å; I200-V210 HydrophobicContact CD1-CG2 3.99Å
211	V	95.8	Very high	96	Very high	14 Å²	14	36.2 Å²	36.2	9%	0.085	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-10.8	-174.6	-64.3	0	0	0	0	112.9	P156 L157 K209 A481 A484 W485	P156-V211 HydrophobicContact CB-CG1 4.12Å; P156-V211 HydrophobicContact CB-CG2 3.73Å; L157-V211 WeakPolarHBondContact O-CG2 3.18Å; L157-V211 PolarHBondContact O-N 2.87Å; K209-V211 HydrophobicContact CB-CG1 4.26Å; K209-V211 HydrophobicContact CD-CG1 4.11Å; K209-V211 HydrophobicContact CG-CG1 4Å; K209-V211 PolarHBondContact O-N 2.8Å; V211-A481 HydrophobicContact CG2-CB 3.6Å; V211-A484 HydrophobicContact CB-CB 4.49Å; V211-W485 HydrophobicContact CG1-CE3 3.71Å; V211-W485 HydrophobicContact CG1-CZ3 3.99Å
212	A	95.3	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	143.2	176.6	0	0	0	0	0	111.1	F159 L170 V480	F159-A212 PolarHBondContact N-O 3.18Å; L170-A212 HydrophobicContact CD1-CB 4.43Å; L170-A212 HydrophobicContact CD2-CB 4.18Å; L170-A212 HydrophobicContact CG-CB 3.86Å; L170-A212 CarbonylContact O-C 3.5Å; L170-A212 WeakPolarHBondContact O-CA 3.21Å; A212-V480 HydrophobicContact CB-CB 4.45Å; A212-V480 HydrophobicContact CB-CG1 3.63Å
213	L	95.9	Very high	95.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.6	161.2	-176.5	145.3	0	0	0	109.2	F159 F161 C165 Q167 L170 A173 V192 V193	F159-L213 HydrophobicContact CD1-CD1 4.11Å; F159-L213 WeakPolarHBondContact O-CA 3.17Å; F161-L213 HydrophobicContact CB-CD1 3.83Å; F161-L213 HydrophobicContact CB-CD2 4.46Å; F161-L213 HydrophobicContact CB-CG 4.1Å; F161-L213 HydrophobicContact CD1-CD1 4.32Å; F161-L213 HydrophobicContact CG-CD1 4.32Å; C165-L213 HydrophobicContact CB-CD2 4.41Å; Q167-L213 PolarHBondContact NE2-O 2.64Å; Q167-L213 VanDerWaalsContact NE2-O 3.1Å; L170-L213 PolarHBondContact O-N 2.66Å; A173-L213 HydrophobicContact CB-CB 4.32Å; A173-L213 HydrophobicContact CB-CD1 3.9Å; A173-L213 HydrophobicContact CB-CD2 3.71Å; A173-L213 HydrophobicContact CB-CG 4.19Å; V192-L213 HydrophobicContact CG2-CD1 3.37Å; V193-L213 HydrophobicContact CG2-CB 3.68Å; V193-L213 HydrophobicContact CG2-CD1 3.74Å; V193-L213 HydrophobicContact CG2-CG 4.38Å
214	L	95.4	Very high	95.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.4	-178.6	63.6	159.4	0	0	0	110.7	F159 T160 F161 V218 A477 V480	F159-L214 WeakPolarHBondContact O-CD2 3.22Å; F159-L214 PolarHBondContact O-N 2.77Å; T160-L214 WeakPolarHBondContact CA-O 3.48Å; F161-L214 PolarHBondContact N-O 3.25Å; L214-V218 HydrophobicContact CB-CB 4.38Å; L214-V218 HydrophobicContact CB-CG1 4.36Å; L214-A477 HydrophobicContact CD1-CB 4.29Å; L214-A477 HydrophobicContact CD2-CB 3.68Å; L214-V480 HydrophobicContact CD1-CG2 4.1Å
215	N	93.8	Very high	95.4	Very high	8 Å²	8	17 Å²	17	4%	0.043	8%	0.082	C	C	.	.			trans	-82.4	154.9	168.5	-176	-97.2	0	0	0	110.4	T217 V218 G219 N242 N282	N215-T217 VanDerWaalsContact C-N 3.29Å; N215-T217 PolarHBondContact O-N 3.15Å; N215-T217 PolarHBondContact OD1-N 2.94Å; N215-T217 VanDerWaalsContact OD1-N 3.1Å; N215-T217 PolarHBondContact OD1-OG1 3.29Å; N215-V218 HydrophobicContact CB-CG2 4.28Å; N215-V218 WeakPolarHBondContact O-CB 3.33Å; N215-V218 PolarHBondContact O-N 3Å; N215-G219 PolarHBondContact O-N 3.44Å; N215-N242 PolarHBondContact OD1-ND2 3.26Å; N215-N282 HydrophobicContact CB-CB 4.43Å
216	D	93.4	Very high	95.1	Very high	27 Å²	27	15 Å²	15	14%	0.144	7%	0.071	C	C	.	.	H	α-helix	trans	-59.9	-34.7	179.1	49.3	11.2	0	0	0	113.6	T160 S162 V218 G219 T220 I236	T160-D216 HydrophobicContact CG2-CB 3.92Å; S162-D216 WeakPolarHBondContact CB-OD2 3.36Å; S162-D216 VanDerWaalsContact OG-CB 3.22Å; S162-D216 WeakPolarHBondContact OG-CB 3.45Å; S162-D216 PolarHBondContact OG-OD2 2.91Å; D216-V218 VanDerWaalsContact C-N 3.28Å; D216-V218 PolarHBondContact O-N 2.81Å; D216-G219 PolarHBondContact O-N 3.27Å; D216-T220 WeakPolarHBondContact O-CB 3.41Å; D216-T220 PolarHBondContact O-N 3.37Å; D216-T220 PolarHBondContact O-OG1 3.03Å; D216-T220 VanDerWaalsContact O-OG1 3.13Å; D216-I236 HydrophobicContact CB-CG1 4.45Å
217	T	95.5	Very high	94.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.9	-41.9	174.3	60.9	0	0	0	0	111.3	N215 T220 Q221 I236 N242 C244	N215-T217 VanDerWaalsContact C-N 3.29Å; N215-T217 PolarHBondContact O-N 3.15Å; N215-T217 PolarHBondContact OD1-N 2.94Å; N215-T217 VanDerWaalsContact OD1-N 3.1Å; N215-T217 PolarHBondContact OD1-OG1 3.29Å; T217-T220 PolarHBondContact O-N 2.98Å; T217-Q221 PolarHBondContact O-N 3.19Å; T217-I236 HydrophobicContact CG2-CB 4.22Å; T217-I236 HydrophobicContact CG2-CG1 3.66Å; T217-N242 VanDerWaalsContact CG2-C 3.43Å; T217-N242 HydrophobicContact CG2-CB 3.57Å; T217-N242 WeakPolarHBondContact CG2-O 3.25Å; T217-C244 PolarHBondContact O-SG 2.95Å; T217-C244 WeakPolarHBondContact OG1-CB 3.19Å
218	V	95.8	Very high	94.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.5	-42.4	179.2	-179.5	0	0	0	0	109.5	V78 L214 N215 D216 Q221 M222 C244 I280 N282	V78-V218 HydrophobicContact CB-CG1 4.47Å; V78-V218 HydrophobicContact CG2-CG1 3.98Å; L214-V218 HydrophobicContact CB-CB 4.38Å; L214-V218 HydrophobicContact CB-CG1 4.36Å; N215-V218 HydrophobicContact CB-CG2 4.28Å; N215-V218 WeakPolarHBondContact O-CB 3.33Å; N215-V218 PolarHBondContact O-N 3Å; D216-V218 VanDerWaalsContact C-N 3.28Å; D216-V218 PolarHBondContact O-N 2.81Å; V218-Q221 PolarHBondContact O-N 3.23Å; V218-M222 HydrophobicContact CG1-CG 4.38Å; V218-M222 WeakPolarHBondContact O-CB 3.27Å; V218-M222 VanDerWaalsContact O-CG 3.27Å; V218-M222 WeakPolarHBondContact O-CG 3.43Å; V218-M222 PolarHBondContact O-N 3.26Å; V218-C244 VanDerWaalsContact CA-SG 3.6Å; V218-C244 HydrophobicContact CG2-CB 4.05Å; V218-C244 PolarHBondContact N-SG 2.75Å; V218-I280 HydrophobicContact CB-CG2 4.39Å; V218-I280 HydrophobicContact CG1-CB 4.42Å; V218-I280 HydrophobicContact CG1-CD1 4.18Å; V218-I280 HydrophobicContact CG1-CG2 4.05Å; V218-I280 HydrophobicContact CG2-CG2 3.88Å; V218-N282 HydrophobicContact CG2-CB 4.4Å
219	G	95.3	Very high	94.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-51.3	173.5	0	0	0	0	0	111.5	N215 D216 Q221 M222 A223 G472 G476	N215-G219 PolarHBondContact O-N 3.44Å; D216-G219 PolarHBondContact O-N 3.27Å; G219-Q221 VanDerWaalsContact C-N 3.29Å; G219-Q221 PolarHBondContact O-N 3.42Å; G219-M222 PolarHBondContact O-N 3.27Å; G219-A223 WeakPolarHBondContact O-CB 3.4Å; G219-A223 PolarHBondContact O-N 3.23Å; G219-G472 CarbonylContact C-O 3.58Å; G219-G476 WeakPolarHBondContact O-CA 3.37Å
220	T	95.5	Very high	94.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-54.8	-42	177.2	-73.2	0	0	0	0	112.8	D216 T217 L224 I236 G434 D436 S469 G472	D216-T220 WeakPolarHBondContact O-CB 3.41Å; D216-T220 PolarHBondContact O-N 3.37Å; D216-T220 PolarHBondContact O-OG1 3.03Å; D216-T220 VanDerWaalsContact O-OG1 3.13Å; T217-T220 PolarHBondContact O-N 2.98Å; T220-L224 PolarHBondContact O-N 3.39Å; T220-I236 HydrophobicContact CG2-CD1 4.44Å; T220-I236 WeakPolarHBondContact OG1-CD1 3.38Å; T220-G434 VanDerWaalsContact CG2-O 3.3Å; T220-G434 WeakPolarHBondContact CG2-O 3.29Å; T220-D436 HydrophobicContact CG2-CB 4.17Å; T220-S469 PolarHBondContact O-OG 2.91Å; T220-G472 PolarHBondContact N-O 3.44Å
221	Q	96.2	Very high	94.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-51.9	173.7	-174.8	-178	-12.3	0	0	111.2	T217 V218 G219 A223 L224 A225 C231 H232 C244 T246 I280	T217-Q221 PolarHBondContact O-N 3.19Å; V218-Q221 PolarHBondContact O-N 3.23Å; G219-Q221 VanDerWaalsContact C-N 3.29Å; G219-Q221 PolarHBondContact O-N 3.42Å; Q221-A223 PolarHBondContact O-N 2.99Å; Q221-L224 PolarHBondContact O-N 3.09Å; Q221-A225 VanDerWaalsContact O-CB 3.29Å; Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.25Å; Q221-C231 PolarHBondContact NE2-O 3.01Å; Q221-C231 VanDerWaalsContact NE2-O 3.17Å; Q221-C231 PolarHBondContact O-SG 3.09Å; Q221-H232 VanDerWaalsContact NE2-C 3.31Å; Q221-H232 VanDerWaalsContact NE2-CA 3.28Å; Q221-H232 PolarHBondContact NE2-O 3.23Å; Q221-C244 PolarHBondContact OE1-SG 2.93Å; Q221-C244 VanDerWaalsContact OE1-SG 3.42Å; Q221-T246 PolarHBondContact NE2-OG1 3.17Å; Q221-I280 HydrophobicContact CG-CD1 4.5Å; Q221-I280 VanDerWaalsContact OE1-CG2 3.29Å
222	M	94	Very high	94.3	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-42.2	-175.5	-73.4	-64.3	-70.4	0	0	112.6	V78 H80 L81 P82 V218 G219 L224 A225 Y226 I280 L479 V480	V78-M222 HydrophobicContact CG1-CE 4Å; V78-M222 HydrophobicContact CG1-CG 4.38Å; V78-M222 HydrophobicContact CG1-SD 3.76Å; H80-M222 WeakPolarHBondContact O-CE 3.42Å; L81-M222 HydrophobicContact CD2-SD 3.88Å; P82-M222 HydrophobicContact CG-CE 3.85Å; V218-M222 HydrophobicContact CG1-CG 4.38Å; V218-M222 WeakPolarHBondContact O-CB 3.27Å; V218-M222 VanDerWaalsContact O-CG 3.27Å; V218-M222 WeakPolarHBondContact O-CG 3.43Å; V218-M222 PolarHBondContact O-N 3.26Å; G219-M222 PolarHBondContact O-N 3.27Å; M222-L224 VanDerWaalsContact C-N 3.35Å; M222-L224 PolarHBondContact O-N 3.13Å; M222-A225 PolarHBondContact O-N 2.9Å; M222-Y226 PolarHBondContact O-N 3.35Å; M222-Y226 VanDerWaalsContact O-N 3.17Å; M222-I280 HydrophobicContact CG-CD1 4.04Å; M222-I280 HydrophobicContact SD-CD1 3.7Å; M222-L479 WeakPolarHBondContact O-CD1 3.32Å; M222-V480 HydrophobicContact CB-CG2 4.35Å; M222-V480 HydrophobicContact CE-CG2 3.9Å; M222-V480 HydrophobicContact CG-CG2 3.79Å
223	A	93.5	Very high	94.4	Very high	6 Å²	6	17 Å²	17	5%	0.05	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-44.3	176.4	0	0	0	0	0	112.1	G219 Q221 Y226 G472 L475	G219-A223 WeakPolarHBondContact O-CB 3.4Å; G219-A223 PolarHBondContact O-N 3.23Å; Q221-A223 PolarHBondContact O-N 2.99Å; A223-Y226 WeakPolarHBondContact O-CB 3.42Å; A223-G472 WeakPolarHBondContact CB-O 3.45Å; A223-L475 HydrophobicContact CB-CB 3.94Å; A223-L475 HydrophobicContact CB-CD2 4.19Å; A223-L475 HydrophobicContact CB-CG 4.11Å
224	L	93.9	Very high	94.5	Very high	13 Å²	13	16.9 Å²	16.9	7%	0.068	9%	0.093	C	C	.	.	H	α-helix	trans	-73.5	-36.2	177.5	-173.3	62.8	0	0	0	111.6	T220 Q221 M222 Y226 S227 D228 C231 T432 K467	T220-L224 PolarHBondContact O-N 3.39Å; Q221-L224 PolarHBondContact O-N 3.09Å; M222-L224 VanDerWaalsContact C-N 3.35Å; M222-L224 PolarHBondContact O-N 3.13Å; L224-Y226 PolarHBondContact O-N 3.34Å; L224-Y226 VanDerWaalsContact O-N 3.16Å; L224-S227 PolarHBondContact O-N 3.45Å; L224-S227 PolarHBondContact O-OG 2.77Å; L224-D228 PolarHBondContact O-N 3.06Å; L224-C231 HydrophobicContact CB-CB 4.28Å; L224-C231 HydrophobicContact CD2-CB 4.31Å; L224-C231 HydrophobicContact CG-CB 4.17Å; L224-T432 HydrophobicContact CD2-CG2 3.67Å; L224-K467 HydrophobicContact CD1-CB 4.34Å; L224-K467 HydrophobicContact CD2-CB 3.75Å
225	A	92.7	Very high	94.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-29.6	177.3	0	0	0	0	0	113.1	L81 Q221 M222 S227 D228 H229 C231	L81-A225 HydrophobicContact CB-CB 4.34Å; L81-A225 HydrophobicContact CD1-CB 4.21Å; L81-A225 HydrophobicContact CD2-CB 3.94Å; L81-A225 HydrophobicContact CG-CB 4.39Å; Q221-A225 VanDerWaalsContact O-CB 3.29Å; Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.25Å; M222-A225 PolarHBondContact O-N 2.9Å; A225-S227 VanDerWaalsContact C-N 3.27Å; A225-S227 PolarHBondContact O-N 3.1Å; A225-D228 WeakPolarHBondContact CA-O 3.45Å; A225-D228 CarbonylContact O-C 3.54Å; A225-D228 PolarHBondContact O-N 3.31Å; A225-H229 PolarHBondContact O-N 2.98Å; A225-H229 PolarHBondContact O-ND1 3.27Å; A225-C231 HydrophobicContact CB-CB 4.09Å
226	Y	90.3	Very high	94.7	Very high	10 Å²	10	17.4 Å²	17.4	4%	0.039	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-36	174.8	-173.1	-119.9	0	0	0	113.7	P82 G109 T110 P112 M222 A223 L224 L475 L479	P82-Y226 HydrophobicContact CB-CD2 3.92Å; P82-Y226 HydrophobicContact CG-CD2 4.49Å; G109-Y226 VanDerWaalsContact O-CZ 3.28Å; G109-Y226 PolarHBondContact O-OH 2.93Å; T110-Y226 WeakPolarHBondContact O-CE1 3.41Å; P112-Y226 HydrophobicContact CG-CE1 4.25Å; M222-Y226 PolarHBondContact O-N 3.35Å; M222-Y226 VanDerWaalsContact O-N 3.17Å; A223-Y226 WeakPolarHBondContact O-CB 3.42Å; L224-Y226 PolarHBondContact O-N 3.34Å; L224-Y226 VanDerWaalsContact O-N 3.16Å; Y226-L475 HydrophobicContact CD1-CD2 4.42Å; Y226-L479 HydrophobicContact CD2-CD1 4.26Å; Y226-L479 HydrophobicContact CD2-CD2 3.5Å; Y226-L479 VanDerWaalsContact CD2-CD2 3.5Å; Y226-L479 HydrophobicContact CE2-CD2 3.79Å; Y226-L479 HydrophobicContact CG-CD1 4.03Å; Y226-L479 HydrophobicContact CG-CD2 4.07Å
227	S	89	Confident	94.9	Very high	87 Å²	87	16.1 Å²	16.1	61%	0.608	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-19.5	177.9	59.8	0	0	0	0	113.7	L224 A225	L224-S227 PolarHBondContact O-N 3.45Å; L224-S227 PolarHBondContact O-OG 2.77Å; A225-S227 VanDerWaalsContact C-N 3.27Å; A225-S227 PolarHBondContact O-N 3.1Å
228	D	92.4	Very high	94.8	Very high	17 Å²	17	16.3 Å²	16.3	9%	0.091	9%	0.091	C	C	.	.			trans	-140.6	94.1	178.5	-176.2	-4.2	0	0	0	110.6	L224 A225 N230 C231 T432 K467	L224-D228 PolarHBondContact O-N 3.06Å; A225-D228 WeakPolarHBondContact CA-O 3.45Å; A225-D228 CarbonylContact O-C 3.54Å; A225-D228 PolarHBondContact O-N 3.31Å; D228-N230 PolarHBondContact O-N 3.46Å; D228-N230 WeakPolarHBondContact OD1-CB 3.38Å; D228-N230 PolarHBondContact OD1-N 2.96Å; D228-N230 PolarHBondContact OD1-ND2 3.04Å; D228-N230 VanDerWaalsContact OD1-ND2 3.08Å; D228-C231 WeakPolarHBondContact O-CB 3.28Å; D228-C231 PolarHBondContact O-N 3.21Å; D228-T432 WeakPolarHBondContact OD2-CB 3.39Å; D228-T432 WeakPolarHBondContact OD2-CG2 3.36Å; D228-T432 PolarHBondContact OD2-OG1 3.46Å; D228-K467 IonicContact OD2-NZ 3.39Å; D228-K467 PolarHBondContact OD2-NZ 3.4Å
229	H	92.1	Very high	94.4	Very high	96 Å²	96	20.3 Å²	20.3	44%	0.444	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-6.4	-178.9	-73.5	38.8	0	0	0	114.4	P82 A225	P82-H229 PolarHBondContact O-CE1 3.38Å; P82-H229 PolarHBondContact O-NE2 2.87Å; A225-H229 PolarHBondContact O-N 2.98Å; A225-H229 PolarHBondContact O-ND1 3.27Å
230	N	95.6	Very high	94.2	Very high	73 Å²	73	20.8 Å²	20.8	39%	0.39	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3	170.2	-56.1	-73.4	0	0	0	112.7	D228 H232 F430 T432	D228-N230 PolarHBondContact O-N 3.46Å; D228-N230 WeakPolarHBondContact OD1-CB 3.38Å; D228-N230 PolarHBondContact OD1-N 2.96Å; D228-N230 PolarHBondContact OD1-ND2 3.04Å; D228-N230 VanDerWaalsContact OD1-ND2 3.08Å; N230-H232 PolarHBondContact O-CD2 3.28Å; N230-H232 PolarHBondContact O-N 2.98Å; N230-F430 HydrophobicContact CB-CD1 3.65Å; N230-F430 HydrophobicContact CB-CE1 3.77Å; N230-T432 PolarHBondContact O-N 3.02Å
231	C	96.5	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	98.3	177.1	-171.8	0	0	0	0	111.5	Q221 L224 A225 D228 T432	Q221-C231 PolarHBondContact NE2-O 3.01Å; Q221-C231 VanDerWaalsContact NE2-O 3.17Å; Q221-C231 PolarHBondContact O-SG 3.09Å; L224-C231 HydrophobicContact CB-CB 4.28Å; L224-C231 HydrophobicContact CD2-CB 4.31Å; L224-C231 HydrophobicContact CG-CB 4.17Å; A225-C231 HydrophobicContact CB-CB 4.09Å; D228-C231 WeakPolarHBondContact O-CB 3.28Å; D228-C231 PolarHBondContact O-N 3.21Å; C231-T432 WeakPolarHBondContact CA-O 3.35Å
232	H	97.7	Very high	94.2	Very high	15 Å²	15	21.4 Å²	21.4	7%	0.069	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	1.3	-179.1	-73.5	-65.2	0	0	0	114.2	Q221 N230 Y245 T246 M426 K428 V431 T432	Q221-H232 VanDerWaalsContact NE2-C 3.31Å; Q221-H232 VanDerWaalsContact NE2-CA 3.28Å; Q221-H232 PolarHBondContact NE2-O 3.23Å; N230-H232 PolarHBondContact O-CD2 3.28Å; N230-H232 PolarHBondContact O-N 2.98Å; H232-Y245 CarbonylContact O-C 3.6Å; H232-Y245 WeakPolarHBondContact O-CA 3.31Å; H232-Y245 WeakPolarHBondContact O-CB 3.37Å; H232-T246 PolarHBondContact ND1-OG1 3.41Å; H232-T246 VanDerWaalsContact ND1-OG1 3.09Å; H232-T246 PolarHBondContact O-N 3.44Å; H232-M426 HydrophobicContact CB-CE 4.35Å; H232-M426 HydrophobicContact CB-SD 3.9Å; H232-K428 HydrophobicContact CB-CD 4.4Å; H232-K428 PolarHBondContact CD2-NZ 3.01Å; H232-K428 PolarHBondContact CE1-NZ 2.86Å; H232-K428 PolarHBondContact NE2-NZ 3.14Å; H232-V431 HydrophobicContact CB-CG1 4.03Å; H232-T432 PolarHBondContact N-O 3.41Å
233	I	98.6	Very high	94.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.2	175.5	-55.5	179.6	0	0	0	108.7	C244 I419 L422 L423 M426 V431 V433 G434	I233-C244 WeakPolarHBondContact CA-O 3.48Å; I233-C244 WeakPolarHBondContact CG2-O 3.29Å; I233-I419 HydrophobicContact CD1-CG2 4.32Å; I233-I419 HydrophobicContact CG2-CD1 3.92Å; I233-L422 HydrophobicContact CD1-CB 3.7Å; I233-L422 HydrophobicContact CD1-CD1 4.27Å; I233-L422 HydrophobicContact CG2-CD1 4.07Å; I233-L423 HydrophobicContact CD1-CD2 4Å; I233-L423 HydrophobicContact CD1-CG 4.27Å; I233-M426 HydrophobicContact CD1-CE 3.52Å; I233-M426 HydrophobicContact CG1-CE 3.47Å; I233-M426 VanDerWaalsContact CG1-CE 3.47Å; I233-V431 HydrophobicContact CD1-CG1 4.22Å; I233-V431 HydrophobicContact CG1-CG1 4.08Å; I233-V433 HydrophobicContact CB-CB 4.38Å; I233-V433 HydrophobicContact CB-CG1 4Å; I233-V433 HydrophobicContact CB-CG2 4.2Å; I233-V433 HydrophobicContact CD1-CG2 4.11Å; I233-V433 HydrophobicContact CG2-CG1 3.82Å; I233-G434 PolarHBondContact O-N 3.42Å
234	G	98	Very high	94.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.2	166	0	0	0	0	0	110.1	A243 C244 G434	G234-A243 CarbonylContact O-C 3.42Å; G234-A243 WeakPolarHBondContact O-CA 3.33Å; G234-C244 PolarHBondContact N-O 3.37Å; G234-C244 PolarHBondContact O-N 3.45Å; G234-G434 CarbonylContact C-O 3.57Å; G234-G434 WeakPolarHBondContact CA-O 3.07Å
235	L	98.3	Very high	94.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.8	-176.6	171.9	60.9	0	0	0	110.2	V237 A243 W285 I419 V433 G434 V435 D436 L450	L235-V237 HydrophobicContact CD1-CG2 3.81Å; L235-V237 HydrophobicContact CD2-CG2 3.95Å; L235-V237 HydrophobicContact CG-CG2 3.79Å; L235-A243 HydrophobicContact CD1-CB 4.39Å; L235-W285 HydrophobicContact CD1-CH2 3.36Å; L235-W285 HydrophobicContact CD1-CZ2 3.28Å; L235-I419 HydrophobicContact CB-CD1 4.31Å; L235-I419 HydrophobicContact CD1-CD1 4.21Å; L235-I419 HydrophobicContact CD2-CD1 3.98Å; L235-I419 HydrophobicContact CD2-CG1 4.08Å; L235-I419 HydrophobicContact CG-CD1 4.39Å; L235-V433 HydrophobicContact CB-CG1 4.05Å; L235-G434 PolarHBondContact N-O 2.97Å; L235-V435 HydrophobicContact CB-CG1 4.29Å; L235-V435 HydrophobicContact CB-CG2 4.33Å; L235-V435 HydrophobicContact CD2-CG1 3.9Å; L235-V435 HydrophobicContact CD2-CG2 4.11Å; L235-V435 HydrophobicContact CG-CG1 4Å; L235-V435 CarbonylContact O-C 3.12Å; L235-V435 WeakPolarHBondContact O-CA 3.05Å; L235-D436 PolarHBondContact O-N 3.45Å; L235-L450 HydrophobicContact CD2-CD2 3.87Å
236	I	95.6	Very high	95.1	Very high	20 Å²	20	21 Å²	21	10%	0.103	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	168.1	-59.9	-60.1	0	0	0	109.3	D216 T217 T220 S241 N242 D436	D216-I236 HydrophobicContact CB-CG1 4.45Å; T217-I236 HydrophobicContact CG2-CB 4.22Å; T217-I236 HydrophobicContact CG2-CG1 3.66Å; T220-I236 HydrophobicContact CG2-CD1 4.44Å; T220-I236 WeakPolarHBondContact OG1-CD1 3.38Å; I236-S241 WeakPolarHBondContact O-CA 3.35Å; I236-S241 PolarHBondContact O-OG 2.88Å; I236-N242 PolarHBondContact N-O 3.08Å; I236-N242 PolarHBondContact O-N 2.92Å; I236-D436 CarbonylContact C-O 3.15Å; I236-D436 WeakPolarHBondContact CA-O 3.07Å; I236-D436 HydrophobicContact CD1-CB 3.7Å
237	V	96.5	Very high	95.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	83.2	168.2	-163	0	0	0	0	109.2	L235 I321 D436 G437 S438 V439 Y440 F446	L235-V237 HydrophobicContact CD1-CG2 3.81Å; L235-V237 HydrophobicContact CD2-CG2 3.95Å; L235-V237 HydrophobicContact CG-CG2 3.79Å; V237-I321 HydrophobicContact CG1-CG2 4.02Å; V237-D436 PolarHBondContact N-O 2.85Å; V237-G437 CarbonylContact O-C 3.57Å; V237-G437 VanDerWaalsContact O-CA 3.24Å; V237-G437 WeakPolarHBondContact O-CA 3.23Å; V237-S438 PolarHBondContact O-N 3.28Å; V237-V439 HydrophobicContact CG1-CB 3.91Å; V237-V439 HydrophobicContact CG1-CG1 4.17Å; V237-V439 HydrophobicContact CG1-CG2 4.5Å; V237-V439 WeakPolarHBondContact O-CB 3.33Å; V237-V439 PolarHBondContact O-N 2.9Å; V237-V439 VanDerWaalsContact O-N 3.08Å; V237-Y440 PolarHBondContact O-N 3.03Å; V237-F446 HydrophobicContact CB-CE1 4.37Å; V237-F446 HydrophobicContact CG1-CE1 3.82Å; V237-F446 HydrophobicContact CG1-CE2 4.33Å; V237-F446 HydrophobicContact CG1-CZ 3.61Å; V237-F446 HydrophobicContact CG2-CE1 4.24Å
238	G	92.9	Very high	95.6	Very high	4 Å²	4	21.7 Å²	21.7	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	-133.7	-129.7	-178	0	0	0	0	0	110.6	G240 G323 S438	G238-G240 VanDerWaalsContact C-N 3.29Å; G238-G240 CarbonylContact C-O 3.01Å; G238-G240 PolarHBondContact N-O 3.47Å; G238-G240 PolarHBondContact O-N 3.38Å; G238-G323 WeakPolarHBondContact O-CA 3.32Å; G238-G323 PolarHBondContact O-N 3.46Å; G238-S438 WeakPolarHBondContact CA-OG 3.1Å
239	T	88.6	Confident	95.6	Very high	84 Å²	84	21 Å²	21	52%	0.515	11%	0.11	S	C	.	.	S	Bend	trans	-56.9	-45.6	170.8	-54.4	0	0	0	0	111.3	S322 M324	T239-S322 WeakPolarHBondContact O-CB 3.24Å; T239-S322 PolarHBondContact O-OG 3.2Å; T239-M324 HydrophobicContact CG2-CB 4.06Å; T239-M324 HydrophobicContact CG2-SD 4.41Å; T239-M324 WeakPolarHBondContact O-CB 3.39Å; T239-M324 PolarHBondContact O-N 3.35Å
240	G	91.2	Very high	95.5	Very high	11 Å²	11	19.5 Å²	19.5	11%	0.113	10%	0.104	C	C	.	.	S	Bend	trans	-105.3	-178.1	168.6	0	0	0	0	0	111.9	G238 E318 S322	G238-G240 VanDerWaalsContact C-N 3.29Å; G238-G240 CarbonylContact C-O 3.01Å; G238-G240 PolarHBondContact N-O 3.47Å; G238-G240 PolarHBondContact O-N 3.38Å; G240-E318 WeakPolarHBondContact CA-OE2 3.16Å; G240-S322 VanDerWaalsContact C-CB 3.46Å
241	S	95	Very high	95.4	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130	167.1	-176	0	0	0	0	111.1	I236 W285 E318	I236-S241 WeakPolarHBondContact O-CA 3.35Å; I236-S241 PolarHBondContact O-OG 2.88Å; S241-W285 VanDerWaalsContact O-CD1 3.26Å; S241-W285 PolarHBondContact O-NE1 2.91Å; S241-W285 VanDerWaalsContact O-NE1 3.12Å; S241-W285 PolarHBondContact OG-NE1 2.93Å; S241-E318 PolarHBondContact N-OE2 3.26Å
242	N	96.1	Very high	95.3	Very high	11 Å²	11	18.8 Å²	18.8	6%	0.059	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.3	176.1	-166.5	25	0	0	0	110.7	N215 T217 I236 N282 E284 W285	N215-N242 PolarHBondContact OD1-ND2 3.26Å; T217-N242 VanDerWaalsContact CG2-C 3.43Å; T217-N242 HydrophobicContact CG2-CB 3.57Å; T217-N242 WeakPolarHBondContact CG2-O 3.25Å; I236-N242 PolarHBondContact N-O 3.08Å; I236-N242 PolarHBondContact O-N 2.92Å; N242-N282 PolarHBondContact ND2-OD1 3.48Å; N242-E284 WeakPolarHBondContact OD1-CA 3.36Å; N242-E284 PolarHBondContact OD1-N 3.29Å; N242-E284 VanDerWaalsContact OD1-N 3.13Å; N242-W285 PolarHBondContact OD1-N 2.83Å
243	A	98.4	Very high	95.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157	169	0	0	0	0	0	112.5	G234 L235 M283 W285 L422	G234-A243 CarbonylContact O-C 3.42Å; G234-A243 WeakPolarHBondContact O-CA 3.33Å; L235-A243 HydrophobicContact CD1-CB 4.39Å; A243-M283 HydrophobicContact CB-SD 3.96Å; A243-M283 VanDerWaalsContact O-CB 3.28Å; A243-M283 WeakPolarHBondContact O-CB 3.34Å; A243-M283 WeakPolarHBondContact O-CG 3.46Å; A243-M283 PolarHBondContact O-N 2.96Å; A243-W285 HydrophobicContact CB-CD2 3.76Å; A243-W285 HydrophobicContact CB-CE3 3.44Å; A243-W285 VanDerWaalsContact CB-CE3 3.44Å; A243-W285 HydrophobicContact CB-CH2 3.64Å; A243-W285 HydrophobicContact CB-CZ2 3.92Å; A243-W285 HydrophobicContact CB-CZ3 3.38Å; A243-L422 HydrophobicContact CB-CD1 4.4Å
244	C	98.3	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161	164.5	69.9	0	0	0	0	110.4	T217 V218 Q221 I233 G234 I280 I281	T217-C244 PolarHBondContact O-SG 2.95Å; T217-C244 WeakPolarHBondContact OG1-CB 3.19Å; V218-C244 VanDerWaalsContact CA-SG 3.6Å; V218-C244 HydrophobicContact CG2-CB 4.05Å; V218-C244 PolarHBondContact N-SG 2.75Å; Q221-C244 PolarHBondContact OE1-SG 2.93Å; Q221-C244 VanDerWaalsContact OE1-SG 3.42Å; I233-C244 WeakPolarHBondContact CA-O 3.48Å; I233-C244 WeakPolarHBondContact CG2-O 3.29Å; G234-C244 PolarHBondContact N-O 3.37Å; G234-C244 PolarHBondContact O-N 3.45Å; C244-I280 HydrophobicContact CB-CG2 3.81Å; C244-I281 WeakPolarHBondContact CA-O 3.39Å; C244-I281 WeakPolarHBondContact CB-O 3.44Å
245	Y	98.6	Very high	94.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	162.2	173.9	71.6	-73.4	0	0	0	111.8	M73 H232 E247 I280 I281 M283 L422 R425 M426	M73-Y245 HydrophobicContact CE-CE1 3.58Å; M73-Y245 WeakPolarHBondContact CE-OH 3.49Å; H232-Y245 CarbonylContact O-C 3.6Å; H232-Y245 WeakPolarHBondContact O-CA 3.31Å; H232-Y245 WeakPolarHBondContact O-CB 3.37Å; Y245-E247 HydrophobicContact CD2-CB 4.4Å; Y245-E247 HydrophobicContact CE2-CB 3.69Å; Y245-E247 HydrophobicContact CE2-CG 4.19Å; Y245-E247 WeakPolarHBondContact CE2-OE2 3.44Å; Y245-E247 PolarHBondContact O-N 2.86Å; Y245-E247 PolarHBondContact OH-OE2 3.09Å; Y245-I280 CarbonylContact O-C 3.52Å; Y245-I280 WeakPolarHBondContact O-CA 3.5Å; Y245-I281 HydrophobicContact CE1-CB 4.24Å; Y245-I281 PolarHBondContact N-O 3.5Å; Y245-I281 PolarHBondContact O-N 3.22Å; Y245-M283 HydrophobicContact CD1-CG 4.07Å; Y245-M283 HydrophobicContact CD1-SD 4.07Å; Y245-M283 HydrophobicContact CE1-CG 4.1Å; Y245-M283 HydrophobicContact CE1-SD 4.34Å; Y245-L422 HydrophobicContact CD1-CD1 4.34Å; Y245-L422 HydrophobicContact CD1-CD2 3.59Å; Y245-L422 HydrophobicContact CD2-CD2 4.47Å; Y245-L422 HydrophobicContact CE1-CD2 3.82Å; Y245-L422 HydrophobicContact CG-CD2 3.96Å; Y245-R425 PolarHBondContact OH-NE 2.99Å; Y245-M426 HydrophobicContact CD2-CG 4.05Å; Y245-M426 HydrophobicContact CD2-SD 4.13Å
246	T	97.3	Very high	93.1	Very high	13 Å²	13	31 Å²	31	8%	0.08	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	109	172.5	-54.7	0	0	0	0	110.9	Q221 H232 K278	Q221-T246 PolarHBondContact NE2-OG1 3.17Å; H232-T246 PolarHBondContact ND1-OG1 3.41Å; H232-T246 VanDerWaalsContact ND1-OG1 3.09Å; H232-T246 PolarHBondContact O-N 3.44Å; T246-K278 HydrophobicContact CG2-CB 3.67Å; T246-K278 HydrophobicContact CG2-CD 3.8Å; T246-K278 HydrophobicContact CG2-CG 4.16Å
247	E	96.8	Very high	91.7	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	153.8	174.3	-175	54.4	-81.8	0	0	111	L61 Y245 N251 V252 K278 M279 I281 R425	L61-E247 HydrophobicContact CD1-CG 4.2Å; Y245-E247 HydrophobicContact CD2-CB 4.4Å; Y245-E247 HydrophobicContact CE2-CB 3.69Å; Y245-E247 HydrophobicContact CE2-CG 4.19Å; Y245-E247 WeakPolarHBondContact CE2-OE2 3.44Å; Y245-E247 PolarHBondContact O-N 2.86Å; Y245-E247 PolarHBondContact OH-OE2 3.09Å; E247-N251 HydrophobicContact CG-CB 3.98Å; E247-N251 PolarHBondContact OE1-ND2 2.96Å; E247-V252 HydrophobicContact CB-CG2 4.39Å; E247-V252 HydrophobicContact CG-CG2 3.84Å; E247-K278 CarbonylContact O-C 2.96Å; E247-K278 WeakPolarHBondContact O-CA 3.25Å; E247-K278 WeakPolarHBondContact O-CB 3.17Å; E247-M279 PolarHBondContact N-O 3.5Å; E247-M279 PolarHBondContact O-N 3.07Å; E247-I281 HydrophobicContact CB-CG1 3.56Å; E247-I281 HydrophobicContact CG-CG1 4.24Å; E247-R425 IonicContact OE2-CZ 3.56Å; E247-R425 VanDerWaalsContact OE2-CZ 3.26Å; E247-R425 IonicContact OE2-NE 3.95Å; E247-R425 PolarHBondContact OE2-NE 2.93Å; E247-R425 IonicContact OE2-NH2 2.84Å; E247-R425 PolarHBondContact OE2-NH2 2.57Å
248	K	93.8	Very high	89.9	Confident	103 Å²	103	40 Å²	40	45%	0.448	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.1	168.9	-57.1	-179.1	179.6	176.5	0	110.3	E250 N251	K248-E250 HydrophobicContact CB-CG 3.87Å; K248-E250 HydrophobicContact CD-CG 4.14Å; K248-E250 WeakPolarHBondContact CD-OE1 3.38Å; K248-E250 IonicContact NZ-OE1 2.7Å; K248-E250 PolarHBondContact NZ-OE1 3.44Å; K248-E250 PolarHBondContact O-N 3.46Å; K248-E250 VanDerWaalsContact O-N 3.15Å; K248-N251 WeakPolarHBondContact O-CB 3.46Å; K248-N251 PolarHBondContact O-N 3.45Å
249	M	91.4	Very high	88	Confident	2 Å²	2	41 Å²	41	1%	0.01	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-59	-30.5	-179.5	-78.3	-60.7	-58.9	0	0	113.4	N251 V252 L255 F274 S277 M279	M249-N251 PolarHBondContact O-N 2.94Å; M249-N251 VanDerWaalsContact O-N 3.11Å; M249-V252 PolarHBondContact O-N 3.3Å; M249-V252 HydrophobicContact SD-CG2 4.44Å; M249-L255 HydrophobicContact CE-CD1 4.42Å; M249-F274 HydrophobicContact CB-CD2 4.04Å; M249-F274 HydrophobicContact CB-CE1 4.38Å; M249-F274 HydrophobicContact CB-CE2 3.85Å; M249-F274 HydrophobicContact CB-CG 4.41Å; M249-F274 HydrophobicContact CB-CZ 4.02Å; M249-F274 WeakPolarHBondContact CB-O 3.46Å; M249-F274 HydrophobicContact CE-CD2 4.14Å; M249-F274 HydrophobicContact CE-CE2 3.45Å; M249-F274 VanDerWaalsContact CE-CE2 3.45Å; M249-F274 HydrophobicContact CE-CZ 4.2Å; M249-F274 WeakPolarHBondContact O-CZ 3.45Å; M249-S277 WeakPolarHBondContact CB-O 3.31Å; M249-S277 PolarHBondContact N-O 3Å; M249-M279 HydrophobicContact CE-CE 4.22Å; M249-M279 HydrophobicContact SD-CB 3.61Å; M249-M279 HydrophobicContact SD-CE 3.73Å; M249-M279 HydrophobicContact SD-SD 4.42Å
250	E	90.1	Very high	86	Confident	65 Å²	65	41 Å²	41	30%	0.304	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-56.3	-25.2	174.2	69.5	-176.2	173.3	0	0	114	K248 F275	K248-E250 HydrophobicContact CB-CG 3.87Å; K248-E250 HydrophobicContact CD-CG 4.14Å; K248-E250 WeakPolarHBondContact CD-OE1 3.38Å; K248-E250 IonicContact NZ-OE1 2.7Å; K248-E250 PolarHBondContact NZ-OE1 3.44Å; K248-E250 PolarHBondContact O-N 3.46Å; K248-E250 VanDerWaalsContact O-N 3.15Å; E250-F275 HydrophobicContact CB-CD1 3.76Å; E250-F275 HydrophobicContact CB-CE1 3.85Å; E250-F275 VanDerWaalsContact OE2-CD1 3.31Å; E250-F275 WeakPolarHBondContact OE2-CD1 3.47Å
251	N	94.3	Very high	84	Confident	57 Å²	57	45.2 Å²	45.2	31%	0.305	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-92	-13	179.1	-64.6	-27.7	0	0	0	113	L61 E247 K248 M249 L253	L61-N251 WeakPolarHBondContact CB-O 3.24Å; E247-N251 HydrophobicContact CG-CB 3.98Å; E247-N251 PolarHBondContact OE1-ND2 2.96Å; K248-N251 WeakPolarHBondContact O-CB 3.46Å; K248-N251 PolarHBondContact O-N 3.45Å; M249-N251 PolarHBondContact O-N 2.94Å; M249-N251 VanDerWaalsContact O-N 3.11Å; N251-L253 VanDerWaalsContact C-N 3.27Å; N251-L253 PolarHBondContact O-N 2.86Å; N251-L253 VanDerWaalsContact O-N 3.1Å
252	V	93.9	Very high	81.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.			trans	-90.5	64.5	-176.3	-167.2	0	0	0	0	109.5	L61 P75 E247 M249 K254 L255 I281	L61-V252 HydrophobicContact CD2-CG1 4.24Å; L61-V252 HydrophobicContact CD2-CG2 4.33Å; P75-V252 HydrophobicContact CG-CG1 4.33Å; E247-V252 HydrophobicContact CB-CG2 4.39Å; E247-V252 HydrophobicContact CG-CG2 3.84Å; M249-V252 PolarHBondContact O-N 3.3Å; M249-V252 HydrophobicContact SD-CG2 4.44Å; V252-K254 HydrophobicContact CG1-CG 4.06Å; V252-K254 PolarHBondContact O-N 3.36Å; V252-L255 HydrophobicContact CG1-CB 4.35Å; V252-L255 HydrophobicContact CG1-CD1 4.06Å; V252-L255 HydrophobicContact CG1-CG 4.04Å; V252-L255 PolarHBondContact O-N 2.69Å; V252-I281 HydrophobicContact CG1-CD1 4.23Å; V252-I281 HydrophobicContact CG2-CD1 3.98Å
253	L	93	Very high	79.6	Confident	69 Å²	69	53.1 Å²	53.1	36%	0.361	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-58.1	-36.2	-170.7	-58.1	-179	0	0	0	112.6	L61 D63 N251 L255 K256	L61-L253 PolarHBondContact O-N 3.49Å; D63-L253 HydrophobicContact CB-CB 4.27Å; N251-L253 VanDerWaalsContact C-N 3.27Å; N251-L253 PolarHBondContact O-N 2.86Å; N251-L253 VanDerWaalsContact O-N 3.1Å; L253-L255 PolarHBondContact O-N 2.79Å; L253-K256 WeakPolarHBondContact O-CB 3.44Å; L253-K256 PolarHBondContact O-N 2.85Å
254	K	91.3	Very high	77.2	Confident	67 Å²	67	62.1 Å²	62.1	29%	0.291	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-55.9	-13.1	175.8	70.5	175.6	65.8	177.9	0	116.1	G60 L61 K72 M73 P75 V252	G60-K254 WeakPolarHBondContact O-CE 3.32Å; G60-K254 PolarHBondContact O-NZ 2.75Å; L61-K254 PolarHBondContact O-N 3.37Å; K72-K254 PolarHBondContact O-NZ 3.06Å; M73-K254 PolarHBondContact O-NZ 3.1Å; P75-K254 HydrophobicContact CG-CD 3.81Å; P75-K254 HydrophobicContact CG-CG 4.33Å; V252-K254 HydrophobicContact CG1-CG 4.06Å; V252-K254 PolarHBondContact O-N 3.36Å
255	L	87.4	Confident	75.1	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.063	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-108.3	5.5	176.8	-67.9	-172.8	0	0	0	113.8	P75 Y77 M249 V252 L253 D257 T258 M279	P75-L255 HydrophobicContact CB-CD1 3.71Å; P75-L255 HydrophobicContact CB-CG 4.42Å; P75-L255 HydrophobicContact CG-CD1 3.86Å; P75-L255 HydrophobicContact CG-CD2 4.29Å; P75-L255 HydrophobicContact CG-CG 4.03Å; Y77-L255 WeakPolarHBondContact OH-CD2 3.44Å; M249-L255 HydrophobicContact CE-CD1 4.42Å; V252-L255 HydrophobicContact CG1-CB 4.35Å; V252-L255 HydrophobicContact CG1-CD1 4.06Å; V252-L255 HydrophobicContact CG1-CG 4.04Å; V252-L255 PolarHBondContact O-N 2.69Å; L253-L255 PolarHBondContact O-N 2.79Å; L255-D257 PolarHBondContact O-N 2.84Å; L255-D257 VanDerWaalsContact O-N 3.14Å; L255-T258 PolarHBondContact O-N 2.66Å; L255-T258 VanDerWaalsContact O-N 3.07Å; L255-T258 PolarHBondContact O-OG1 2.76Å; L255-M279 HydrophobicContact CD1-CE 3.87Å; L255-M279 HydrophobicContact CD1-SD 4.05Å
256	K	75.4	Confident	73.2	Confident	124 Å²	124	67.7 Å²	67.7	54%	0.539	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-56.1	-34.2	-171	-169.6	176.7	179	-174.4	0	114.1	L253 T259	L253-K256 WeakPolarHBondContact O-CB 3.44Å; L253-K256 PolarHBondContact O-N 2.85Å; K256-T259 PolarHBondContact O-OG1 3.23Å
257	D	65.3	Low	71.6	Confident	139 Å²	139	76.4 Å²	76.4	74%	0.743	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-81.7	-22.1	-178.8	-68.6	-22.7	0	0	0	113.9	L255 T259 S260	L255-D257 PolarHBondContact O-N 2.84Å; L255-D257 VanDerWaalsContact O-N 3.14Å; D257-T259 VanDerWaalsContact C-N 3.33Å; D257-T259 PolarHBondContact O-N 2.8Å; D257-S260 PolarHBondContact O-OG 3Å; D257-S260 VanDerWaalsContact O-OG 3.08Å
258	T	59.4	Low	70	Confident	70 Å²	70	80.4 Å²	80.4	43%	0.429	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-78.6	-9.4	-172.9	54.1	0	0	0	0	115	L255 S261	L255-T258 PolarHBondContact O-N 2.66Å; L255-T258 VanDerWaalsContact O-N 3.07Å; L255-T258 PolarHBondContact O-OG1 2.76Å; T258-S261 PolarHBondContact O-OG 2.83Å
259	T	52.4	Low	68.3	Low	26 Å²	26	80.8 Å²	80.8	16%	0.16	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-92.7	-8.5	-173.9	54	0	0	0	0	114.3	K256 D257 S261 F274	K256-T259 PolarHBondContact O-OG1 3.23Å; D257-T259 VanDerWaalsContact C-N 3.33Å; D257-T259 PolarHBondContact O-N 2.8Å; T259-S261 VanDerWaalsContact C-N 3.3Å; T259-S261 PolarHBondContact O-N 2.95Å; T259-F274 HydrophobicContact CG2-CD2 3.74Å; T259-F274 HydrophobicContact CG2-CE2 3.72Å
260	S	47	Very low	66.9	Low	83 Å²	83	81.8 Å²	81.8	58%	0.58	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.8	-178.9	54.4	0	0	0	0	113.9	D257	D257-S260 PolarHBondContact O-OG 3Å; D257-S260 VanDerWaalsContact O-OG 3.08Å
261	S	48.1	Very low	65.5	Low	100 Å²	100	82.6 Å²	82.6	70%	0.699	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-8.6	-173	47.5	0	0	0	0	116	T258 T259	T258-S261 PolarHBondContact O-OG 2.83Å; T259-S261 VanDerWaalsContact C-N 3.3Å; T259-S261 PolarHBondContact O-N 2.95Å
262	E	49.2	Very low	63.8	Low	105 Å²	105	83.2 Å²	83.2	49%	0.491	45%	0.453	S	S	.	.	S	Bend	trans	-101.5	-0.4	-166.8	-71.4	-157.6	117.9	0	0	116.6	R79 K491	R79-E262 IonicContact NH1-OE2 3.94Å; E262-K491 IonicContact OE1-NZ 3.76Å
263	V	49.8	Very low	62.3	Low	73 Å²	73	88.5 Å²	88.5	44%	0.442	47%	0.474	S	S	.	.			trans	-139.1	121.8	-173.7	-142.8	0	0	0	0	112.9	A265 V270	V263-A265 HydrophobicContact CB-CB 3.96Å; V263-A265 HydrophobicContact CG1-CB 3.35Å; V263-A265 PolarHBondContact O-N 2.88Å; V263-V270 HydrophobicContact CB-CG2 3.74Å; V263-V270 HydrophobicContact CG1-CG2 4.49Å; V263-V270 HydrophobicContact CG2-CG1 4.29Å; V263-V270 HydrophobicContact CG2-CG2 3.87Å
264	N	48.6	Very low	60.9	Low	188 Å²	188	86.8 Å²	86.8	100%	1.005	46%	0.463	S	S	*	.			trans	-70.1	28	161.8	-84.3	-22.8	0	0	0	112.2
265	A	54.6	Low	59.5	Low	32 Å²	32	89.1 Å²	89.1	26%	0.264	47%	0.474	S	S	.	.	S	Bend	trans	-97.3	156.4	-179.8	0	0	0	0	0	109.5	V263 E269 V270	V263-A265 HydrophobicContact CB-CB 3.96Å; V263-A265 HydrophobicContact CG1-CB 3.35Å; V263-A265 PolarHBondContact O-N 2.88Å; A265-E269 HydrophobicContact CB-CB 3.78Å; A265-E269 WeakPolarHBondContact CB-OE2 3.35Å; A265-V270 HydrophobicContact CB-CG2 4.06Å
266	T	58.4	Low	58.7	Low	85 Å²	85	96 Å²	96	52%	0.521	51%	0.506	S	S	.	.			trans	-57.6	147.4	174	56.2	0	0	0	0	109.8	C268 E269 V270	T266-C268 PolarHBondContact O-N 3.03Å; T266-E269 PolarHBondContact N-OE2 2.91Å; T266-E269 WeakPolarHBondContact O-CB 3.45Å; T266-E269 PolarHBondContact O-N 2.65Å; T266-E269 VanDerWaalsContact OG1-CD 3.27Å; T266-E269 WeakPolarHBondContact OG1-CG 3.5Å; T266-E269 PolarHBondContact OG1-OE2 2.81Å; T266-V270 PolarHBondContact O-N 3.1Å; T266-V270 VanDerWaalsContact O-N 3.16Å
267	W	63.3	Low	59.2	Low	196 Å²	196	90.5 Å²	90.5	74%	0.742	48%	0.483	S	S	*	.	H	α-helix	trans	-48.4	-35.5	179	-83.4	95	0	0	0	112.9	I271	W267-I271 WeakPolarHBondContact O-CB 3.47Å; W267-I271 WeakPolarHBondContact O-CD1 3.44Å; W267-I271 WeakPolarHBondContact O-CG1 3.3Å; W267-I271 PolarHBondContact O-N 2.77Å; W267-I271 VanDerWaalsContact O-N 3.07Å
268	C	63.5	Low	60.4	Low	93 Å²	93	88 Å²	88	63%	0.628	47%	0.466	S	S	*	.	H	α-helix	trans	-63	-42.5	174.8	-66.1	0	0	0	0	113.5	T266 I271 C272	T266-C268 PolarHBondContact O-N 3.03Å; C268-I271 PolarHBondContact O-N 3.27Å; C268-C272 WeakPolarHBondContact O-CB 3.5Å; C268-C272 PolarHBondContact O-N 3.38Å; C268-C272 PolarHBondContact O-SG 3.45Å
269	E	58.5	Low	62.1	Low	110 Å²	110	84.7 Å²	84.7	51%	0.514	45%	0.445	S	S	.	.	H	α-helix	trans	-68.8	-39.9	179.1	-73.7	166	144.4	0	0	111.8	A265 T266 I271 C272 Y273	A265-E269 HydrophobicContact CB-CB 3.78Å; A265-E269 WeakPolarHBondContact CB-OE2 3.35Å; T266-E269 PolarHBondContact N-OE2 2.91Å; T266-E269 WeakPolarHBondContact O-CB 3.45Å; T266-E269 PolarHBondContact O-N 2.65Å; T266-E269 VanDerWaalsContact OG1-CD 3.27Å; T266-E269 WeakPolarHBondContact OG1-CG 3.5Å; T266-E269 PolarHBondContact OG1-OE2 2.81Å; E269-I271 VanDerWaalsContact C-N 3.34Å; E269-C272 PolarHBondContact O-N 2.81Å; E269-Y273 WeakPolarHBondContact O-CB 3.26Å; E269-Y273 PolarHBondContact O-N 3.49Å
270	V	60.9	Low	64.2	Low	23 Å²	23	83.7 Å²	83.7	14%	0.139	44%	0.438	C	S	.	.	H	α-helix	trans	-60.7	-46.6	175	-178.8	0	0	0	0	110.5	V263 A265 T266 Y273 F274	V263-V270 HydrophobicContact CB-CG2 3.74Å; V263-V270 HydrophobicContact CG1-CG2 4.49Å; V263-V270 HydrophobicContact CG2-CG1 4.29Å; V263-V270 HydrophobicContact CG2-CG2 3.87Å; A265-V270 HydrophobicContact CB-CG2 4.06Å; T266-V270 PolarHBondContact O-N 3.1Å; T266-V270 VanDerWaalsContact O-N 3.16Å; V270-Y273 PolarHBondContact O-N 3.15Å; V270-F274 WeakPolarHBondContact O-CB 3.33Å; V270-F274 PolarHBondContact O-N 2.93Å
271	I	61.8	Low	66.6	Low	82 Å²	82	79.7 Å²	79.7	42%	0.421	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-49	177.7	-73	172.2	0	0	0	110.6	W267 C268 E269 Y273 F274 F275	W267-I271 WeakPolarHBondContact O-CB 3.47Å; W267-I271 WeakPolarHBondContact O-CD1 3.44Å; W267-I271 WeakPolarHBondContact O-CG1 3.3Å; W267-I271 PolarHBondContact O-N 2.77Å; W267-I271 VanDerWaalsContact O-N 3.07Å; C268-I271 PolarHBondContact O-N 3.27Å; E269-I271 VanDerWaalsContact C-N 3.34Å; I271-Y273 PolarHBondContact O-N 2.92Å; I271-F274 WeakPolarHBondContact O-CB 3.34Å; I271-F274 PolarHBondContact O-N 3.5Å; I271-F275 HydrophobicContact CG2-CD2 3.52Å; I271-F275 HydrophobicContact CG2-CE2 3.5Å; I271-F275 VanDerWaalsContact CG2-CE2 3.5Å; I271-F275 WeakPolarHBondContact O-CD2 3.17Å; I271-F275 PolarHBondContact O-N 3.47Å
272	C	58.5	Low	68.9	Low	71 Å²	71	75.4 Å²	75.4	48%	0.48	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-44.8	178.6	-77	0	0	0	0	112.5	C268 E269 F274 F275 Q276	C268-C272 WeakPolarHBondContact O-CB 3.5Å; C268-C272 PolarHBondContact O-N 3.38Å; C268-C272 PolarHBondContact O-SG 3.45Å; E269-C272 PolarHBondContact O-N 2.81Å; C272-F274 VanDerWaalsContact C-N 3.34Å; C272-F274 PolarHBondContact O-N 3.44Å; C272-F275 PolarHBondContact O-N 3.21Å; C272-Q276 WeakPolarHBondContact O-CG 3.37Å; C272-Q276 PolarHBondContact O-N 2.62Å; C272-Q276 VanDerWaalsContact O-N 3.09Å
273	Y	62.1	Low	71.3	Confident	110 Å²	110	70.4 Å²	70.4	43%	0.431	36%	0.357	S	S	.	.	H	α-helix	trans	-60.9	-45	176	177.9	-97.3	0	0	0	110.8	E269 V270 I271 F275 Q276 S277	E269-Y273 WeakPolarHBondContact O-CB 3.26Å; E269-Y273 PolarHBondContact O-N 3.49Å; V270-Y273 PolarHBondContact O-N 3.15Å; I271-Y273 PolarHBondContact O-N 2.92Å; Y273-F275 PolarHBondContact O-N 2.86Å; Y273-Q276 PolarHBondContact O-N 3.43Å; Y273-S277 WeakPolarHBondContact O-CB 3.37Å; Y273-S277 PolarHBondContact O-N 3.45Å
274	F	62.5	Low	73.4	Confident	33 Å²	33	67.6 Å²	67.6	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-59.1	-47.8	177.4	-175.7	-98	0	0	0	112.3	M249 T259 V270 I271 C272 Q276 S277	M249-F274 HydrophobicContact CB-CD2 4.04Å; M249-F274 HydrophobicContact CB-CE1 4.38Å; M249-F274 HydrophobicContact CB-CE2 3.85Å; M249-F274 HydrophobicContact CB-CG 4.41Å; M249-F274 HydrophobicContact CB-CZ 4.02Å; M249-F274 WeakPolarHBondContact CB-O 3.46Å; M249-F274 HydrophobicContact CE-CD2 4.14Å; M249-F274 HydrophobicContact CE-CE2 3.45Å; M249-F274 VanDerWaalsContact CE-CE2 3.45Å; M249-F274 HydrophobicContact CE-CZ 4.2Å; M249-F274 WeakPolarHBondContact O-CZ 3.45Å; T259-F274 HydrophobicContact CG2-CD2 3.74Å; T259-F274 HydrophobicContact CG2-CE2 3.72Å; V270-F274 WeakPolarHBondContact O-CB 3.33Å; V270-F274 PolarHBondContact O-N 2.93Å; I271-F274 WeakPolarHBondContact O-CB 3.34Å; I271-F274 PolarHBondContact O-N 3.5Å; C272-F274 VanDerWaalsContact C-N 3.34Å; C272-F274 PolarHBondContact O-N 3.44Å; F274-Q276 PolarHBondContact O-N 2.85Å; F274-S277 PolarHBondContact O-N 2.87Å; F274-S277 VanDerWaalsContact O-N 3.15Å
275	F	63	Low	75.8	Confident	117 Å²	117	58.7 Å²	58.7	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-24.8	179.3	-81.5	-67.9	0	0	0	113.8	E250 I271 C272 Y273	E250-F275 HydrophobicContact CB-CD1 3.76Å; E250-F275 HydrophobicContact CB-CE1 3.85Å; E250-F275 VanDerWaalsContact OE2-CD1 3.31Å; E250-F275 WeakPolarHBondContact OE2-CD1 3.47Å; I271-F275 HydrophobicContact CG2-CD2 3.52Å; I271-F275 HydrophobicContact CG2-CE2 3.5Å; I271-F275 VanDerWaalsContact CG2-CE2 3.5Å; I271-F275 WeakPolarHBondContact O-CD2 3.17Å; I271-F275 PolarHBondContact O-N 3.47Å; C272-F275 PolarHBondContact O-N 3.21Å; Y273-F275 PolarHBondContact O-N 2.86Å
276	Q	71.3	Confident	77.7	Confident	156 Å²	156	57.2 Å²	57.2	73%	0.729	28%	0.279	S	S	*	.	H	α-helix	trans	-92.2	-16.3	175.1	-66.5	179.9	4	0	0	113.2	C272 Y273 F274	C272-Q276 WeakPolarHBondContact O-CG 3.37Å; C272-Q276 PolarHBondContact O-N 2.62Å; C272-Q276 VanDerWaalsContact O-N 3.09Å; Y273-Q276 PolarHBondContact O-N 3.43Å; F274-Q276 PolarHBondContact O-N 2.85Å
277	S	84.1	Confident	79.4	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.063	26%	0.255	C	S	.	.			trans	-77.3	155	-176.2	-169.8	0	0	0	0	111.8	M249 Y273 F274	M249-S277 WeakPolarHBondContact CB-O 3.31Å; M249-S277 PolarHBondContact N-O 3Å; Y273-S277 WeakPolarHBondContact O-CB 3.37Å; Y273-S277 PolarHBondContact O-N 3.45Å; F274-S277 PolarHBondContact O-N 2.87Å; F274-S277 VanDerWaalsContact O-N 3.15Å
278	K	91.9	Very high	81.1	Confident	87 Å²	87	44 Å²	44	38%	0.378	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160	-177.7	-63.3	171.6	-169.6	160.6	0	108.7	R79 T246 E247	R79-K278 WeakPolarHBondContact CA-O 3.45Å; R79-K278 WeakPolarHBondContact CB-O 3.42Å; R79-K278 WeakPolarHBondContact CG-O 3.03Å; T246-K278 HydrophobicContact CG2-CB 3.67Å; T246-K278 HydrophobicContact CG2-CD 3.8Å; T246-K278 HydrophobicContact CG2-CG 4.16Å; E247-K278 CarbonylContact O-C 2.96Å; E247-K278 WeakPolarHBondContact O-CA 3.25Å; E247-K278 WeakPolarHBondContact O-CB 3.17Å
279	M	93.6	Very high	82.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	140.4	172.1	-174.2	176.1	-67.6	0	0	109.9	P75 Y77 V78 R79 E247 M249 L255 I281	P75-M279 HydrophobicContact CB-SD 3.49Å; P75-M279 WeakPolarHBondContact CB-SD 3.35Å; Y77-M279 HydrophobicContact CD1-CE 4.41Å; V78-M279 WeakPolarHBondContact O-CA 3.35Å; R79-M279 HydrophobicContact CG-CE 4.06Å; E247-M279 PolarHBondContact N-O 3.5Å; E247-M279 PolarHBondContact O-N 3.07Å; M249-M279 HydrophobicContact CE-CE 4.22Å; M249-M279 HydrophobicContact SD-CB 3.61Å; M249-M279 HydrophobicContact SD-CE 3.73Å; M249-M279 HydrophobicContact SD-SD 4.42Å; L255-M279 HydrophobicContact CD1-CE 3.87Å; L255-M279 HydrophobicContact CD1-SD 4.05Å; M279-I281 HydrophobicContact CG-CD1 4.36Å; M279-I281 PolarHBondContact O-N 3.4Å; M279-I281 HydrophobicContact SD-CD1 4.42Å
280	I	96.5	Very high	84.5	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.9	168.7	-58	175.9	0	0	0	108.5	S76 V78 L81 V218 Q221 M222 C244 Y245	S76-I280 VanDerWaalsContact CB-O 3.22Å; S76-I280 WeakPolarHBondContact CB-O 3.28Å; S76-I280 PolarHBondContact N-O 3.46Å; S76-I280 PolarHBondContact OG-O 3.46Å; V78-I280 HydrophobicContact CB-CB 4.43Å; V78-I280 HydrophobicContact CB-CD1 4.18Å; V78-I280 HydrophobicContact CB-CG1 4.45Å; V78-I280 HydrophobicContact CG1-CD1 3.82Å; V78-I280 HydrophobicContact CG1-CG1 4.44Å; V78-I280 PolarHBondContact O-N 3.06Å; L81-I280 HydrophobicContact CD2-CD1 4.19Å; V218-I280 HydrophobicContact CB-CG2 4.39Å; V218-I280 HydrophobicContact CG1-CB 4.42Å; V218-I280 HydrophobicContact CG1-CD1 4.18Å; V218-I280 HydrophobicContact CG1-CG2 4.05Å; V218-I280 HydrophobicContact CG2-CG2 3.88Å; Q221-I280 HydrophobicContact CG-CD1 4.5Å; Q221-I280 VanDerWaalsContact OE1-CG2 3.29Å; M222-I280 HydrophobicContact CG-CD1 4.04Å; M222-I280 HydrophobicContact SD-CD1 3.7Å; C244-I280 HydrophobicContact CB-CG2 3.81Å; Y245-I280 CarbonylContact O-C 3.52Å; Y245-I280 WeakPolarHBondContact O-CA 3.5Å
281	I	97.8	Very high	86.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.7	176.7	-58.2	-60.1	0	0	0	109.1	L61 M73 P75 C244 Y245 E247 V252 M279 M283	L61-I281 HydrophobicContact CD2-CD1 4.32Å; L61-I281 HydrophobicContact CD2-CG1 4.34Å; L61-I281 HydrophobicContact CD2-CG2 4.39Å; M73-I281 HydrophobicContact CB-CG2 3.98Å; M73-I281 HydrophobicContact CE-CB 4.45Å; M73-I281 HydrophobicContact CE-CG2 3.62Å; M73-I281 HydrophobicContact SD-CG2 4.46Å; P75-I281 HydrophobicContact CB-CD1 4.47Å; C244-I281 WeakPolarHBondContact CA-O 3.39Å; C244-I281 WeakPolarHBondContact CB-O 3.44Å; Y245-I281 HydrophobicContact CE1-CB 4.24Å; Y245-I281 PolarHBondContact N-O 3.5Å; Y245-I281 PolarHBondContact O-N 3.22Å; E247-I281 HydrophobicContact CB-CG1 3.56Å; E247-I281 HydrophobicContact CG-CG1 4.24Å; V252-I281 HydrophobicContact CG1-CD1 4.23Å; V252-I281 HydrophobicContact CG2-CD1 3.98Å; M279-I281 HydrophobicContact CG-CD1 4.36Å; M279-I281 PolarHBondContact O-N 3.4Å; M279-I281 HydrophobicContact SD-CD1 4.42Å; I281-M283 PolarHBondContact O-N 3.21Å
282	N	97.4	Very high	87.8	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.053	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	113.3	165.2	171.2	12.7	0	0	0	108.2	M73 L74 N215 V218 N242 E284	M73-N282 CarbonylContact C-O 3.52Å; L74-N282 HydrophobicContact CB-CB 4.29Å; L74-N282 PolarHBondContact N-O 3.48Å; L74-N282 PolarHBondContact O-N 3.23Å; N215-N282 HydrophobicContact CB-CB 4.43Å; V218-N282 HydrophobicContact CG2-CB 4.4Å; N242-N282 PolarHBondContact ND2-OD1 3.48Å; N282-E284 VanDerWaalsContact C-N 3.33Å; N282-E284 PolarHBondContact ND2-OE1 3.18Å; N282-E284 PolarHBondContact O-N 3.12Å; N282-E284 PolarHBondContact OD1-N 2.87Å; N282-E284 VanDerWaalsContact OD1-N 3.09Å
283	M	98.2	Very high	89.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.			trans	-70.6	-32.3	-174.5	-61.9	176	67.1	0	0	112.8	M53 I57 L71 K72 M73 A243 Y245 I281 W285 L422	M53-M283 HydrophobicContact CG-CE 4.37Å; M53-M283 HydrophobicContact SD-CE 4Å; I57-M283 HydrophobicContact CD1-CE 3.83Å; I57-M283 HydrophobicContact CG1-CE 3.98Å; L71-M283 HydrophobicContact CD1-CE 4.43Å; K72-M283 PolarHBondContact N-O 2.86Å; M73-M283 HydrophobicContact CE-CG 4.12Å; M73-M283 PolarHBondContact N-O 3.37Å; M73-M283 HydrophobicContact SD-CB 3.98Å; M73-M283 HydrophobicContact SD-CE 4.48Å; M73-M283 HydrophobicContact SD-CG 3.96Å; A243-M283 HydrophobicContact CB-SD 3.96Å; A243-M283 VanDerWaalsContact O-CB 3.28Å; A243-M283 WeakPolarHBondContact O-CB 3.34Å; A243-M283 WeakPolarHBondContact O-CG 3.46Å; A243-M283 PolarHBondContact O-N 2.96Å; Y245-M283 HydrophobicContact CD1-CG 4.07Å; Y245-M283 HydrophobicContact CD1-SD 4.07Å; Y245-M283 HydrophobicContact CE1-CG 4.1Å; Y245-M283 HydrophobicContact CE1-SD 4.34Å; I281-M283 PolarHBondContact O-N 3.21Å; M283-W285 HydrophobicContact CB-CB 3.98Å; M283-W285 HydrophobicContact CE-CB 4.22Å; M283-W285 HydrophobicContact CE-CE3 4.17Å; M283-W285 PolarHBondContact O-N 3.33Å; M283-W285 HydrophobicContact SD-CE3 4.09Å; M283-L422 HydrophobicContact CE-CD2 3.88Å; M283-L422 HydrophobicContact SD-CD1 3.66Å; M283-L422 HydrophobicContact SD-CD2 3.73Å; M283-L422 HydrophobicContact SD-CG 4.2Å
284	E	95.7	Very high	91.2	Very high	14 Å²	14	31 Å²	31	7%	0.065	16%	0.163	C	C	.	.			trans	47.9	51.6	-161.6	-69.6	-67.5	154.8	0	0	110.5	K72 L74 P164 N242 N282 A286	K72-E284 HydrophobicContact CB-CB 4.15Å; K72-E284 HydrophobicContact CD-CB 3.97Å; K72-E284 HydrophobicContact CD-CG 4.13Å; K72-E284 HydrophobicContact CG-CB 4.29Å; L74-E284 HydrophobicContact CD1-CG 3.54Å; L74-E284 HydrophobicContact CG-CG 4.35Å; P164-E284 HydrophobicContact CB-CG 4.38Å; N242-E284 WeakPolarHBondContact OD1-CA 3.36Å; N242-E284 PolarHBondContact OD1-N 3.29Å; N242-E284 VanDerWaalsContact OD1-N 3.13Å; N282-E284 VanDerWaalsContact C-N 3.33Å; N282-E284 PolarHBondContact ND2-OE1 3.18Å; N282-E284 PolarHBondContact O-N 3.12Å; N282-E284 PolarHBondContact OD1-N 2.87Å; N282-E284 VanDerWaalsContact OD1-N 3.09Å; E284-A286 PolarHBondContact O-N 3.04Å
285	W	97.5	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-69.3	-6.9	-167	75.1	3.4	0	0	0	115	M53 L71 L235 S241 N242 A243 M283 G287 L288 F317 I419	M53-W285 HydrophobicContact CE-CE3 4.18Å; M53-W285 HydrophobicContact SD-CE3 4.43Å; L71-W285 HydrophobicContact CD2-CB 4.05Å; L235-W285 HydrophobicContact CD1-CH2 3.36Å; L235-W285 HydrophobicContact CD1-CZ2 3.28Å; S241-W285 VanDerWaalsContact O-CD1 3.26Å; S241-W285 PolarHBondContact O-NE1 2.91Å; S241-W285 VanDerWaalsContact O-NE1 3.12Å; S241-W285 PolarHBondContact OG-NE1 2.93Å; N242-W285 PolarHBondContact OD1-N 2.83Å; A243-W285 HydrophobicContact CB-CD2 3.76Å; A243-W285 HydrophobicContact CB-CE3 3.44Å; A243-W285 VanDerWaalsContact CB-CE3 3.44Å; A243-W285 HydrophobicContact CB-CH2 3.64Å; A243-W285 HydrophobicContact CB-CZ2 3.92Å; A243-W285 HydrophobicContact CB-CZ3 3.38Å; M283-W285 HydrophobicContact CB-CB 3.98Å; M283-W285 HydrophobicContact CE-CB 4.22Å; M283-W285 HydrophobicContact CE-CE3 4.17Å; M283-W285 PolarHBondContact O-N 3.33Å; M283-W285 HydrophobicContact SD-CE3 4.09Å; W285-G287 PolarHBondContact O-N 3.13Å; W285-L288 WeakPolarHBondContact O-CB 3.43Å; W285-L288 PolarHBondContact O-N 2.9Å; W285-L288 VanDerWaalsContact O-N 3.09Å; W285-F317 HydrophobicContact CD2-CE1 4.3Å; W285-F317 HydrophobicContact CG-CD1 4.33Å; W285-F317 HydrophobicContact CG-CE1 4.5Å; W285-I419 HydrophobicContact CH2-CD1 3.87Å; W285-I419 HydrophobicContact CH2-CG1 4.29Å; W285-I419 HydrophobicContact CZ3-CD1 4.03Å
286	A	95.4	Very high	94.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61.2	-31.1	-177.5	0	0	0	0	0	111.6	E284 L288 Q315 L316 F317 E318	E284-A286 PolarHBondContact O-N 3.04Å; A286-L288 PolarHBondContact O-N 3.2Å; A286-Q315 HydrophobicContact CB-CB 4.37Å; A286-Q315 CarbonylContact O-C 3.55Å; A286-Q315 WeakPolarHBondContact O-CA 3.41Å; A286-L316 PolarHBondContact O-N 3.11Å; A286-F317 WeakPolarHBondContact O-CB 3.23Å; A286-F317 PolarHBondContact O-N 2.95Å; A286-E318 HydrophobicContact CB-CB 3.51Å; A286-E318 HydrophobicContact CB-CG 4.38Å; A286-E318 PolarHBondContact O-N 3.29Å
287	G	94.5	Very high	95.5	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.031	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-73.9	-5.9	178.5	0	0	0	0	0	114.9	C70 W285 G289 E290	C70-G287 WeakPolarHBondContact CB-O 3.36Å; W285-G287 PolarHBondContact O-N 3.13Å; G287-G289 PolarHBondContact O-N 3.36Å; G287-E290 WeakPolarHBondContact CA-OE1 3.3Å; G287-E290 WeakPolarHBondContact O-CB 3.2Å; G287-E290 WeakPolarHBondContact O-CG 3.45Å; G287-E290 PolarHBondContact O-N 3.36Å
288	L	97.8	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	128.9	179.8	-172.5	71.7	0	0	0	110.6	V52 M53 E56 L71 W285 A286 L294 F317	V52-L288 HydrophobicContact CG1-CD1 4.13Å; M53-L288 HydrophobicContact CB-CD2 4.1Å; M53-L288 HydrophobicContact CE-CD2 3.6Å; M53-L288 HydrophobicContact CG-CD2 4.4Å; E56-L288 HydrophobicContact CB-CD1 4.07Å; E56-L288 HydrophobicContact CG-CD1 3.92Å; L71-L288 HydrophobicContact CD1-CD1 4.25Å; L71-L288 HydrophobicContact CD2-CB 4.02Å; L71-L288 HydrophobicContact CD2-CD1 4.25Å; L71-L288 HydrophobicContact CG-CD1 4.1Å; W285-L288 WeakPolarHBondContact O-CB 3.43Å; W285-L288 PolarHBondContact O-N 2.9Å; W285-L288 VanDerWaalsContact O-N 3.09Å; A286-L288 PolarHBondContact O-N 3.2Å; L288-L294 HydrophobicContact CB-CD1 4.39Å; L288-L294 HydrophobicContact CD2-CD1 3.94Å; L288-L294 HydrophobicContact CD2-CD2 4.44Å; L288-L294 HydrophobicContact CG-CD1 3.8Å; L288-L294 HydrophobicContact CG-CG 4.2Å; L288-F317 HydrophobicContact CB-CB 3.77Å; L288-F317 HydrophobicContact CB-CD1 4.37Å; L288-F317 HydrophobicContact CB-CD2 4.44Å; L288-F317 HydrophobicContact CB-CG 3.98Å; L288-F317 HydrophobicContact CD2-CD1 4.5Å; L288-F317 HydrophobicContact CD2-CD2 4.08Å; L288-F317 HydrophobicContact CD2-CE2 4.13Å; L288-F317 HydrophobicContact CD2-CG 4.26Å; L288-F317 HydrophobicContact CD2-CZ 4.37Å; L288-F317 WeakPolarHBondContact O-CB 3.4Å; L288-F317 PolarHBondContact O-N 2.91Å
289	G	97.3	Very high	96.4	Very high	4 Å²	4	22.2 Å²	22.2	4%	0.041	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	-7.8	-176.6	0	0	0	0	0	115.7	G287 D291 G292 C293 L316	G287-G289 PolarHBondContact O-N 3.36Å; G289-D291 PolarHBondContact O-N 3.13Å; G289-G292 WeakPolarHBondContact O-CA 3.36Å; G289-G292 PolarHBondContact O-N 3.07Å; G289-C293 VanDerWaalsContact CA-SG 3.57Å; G289-L316 WeakPolarHBondContact O-CD1 3.14Å
290	E	96	Very high	96.5	Very high	57 Å²	57	27.8 Å²	27.8	27%	0.266	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.2	178	-77.9	-173.4	-165.6	0	0	113.9	C70 G287 G292 G313 K314 Q315 L316	C70-E290 HydrophobicContact CB-CB 4.22Å; G287-E290 WeakPolarHBondContact CA-OE1 3.3Å; G287-E290 WeakPolarHBondContact O-CB 3.2Å; G287-E290 WeakPolarHBondContact O-CG 3.45Å; G287-E290 PolarHBondContact O-N 3.36Å; E290-G292 VanDerWaalsContact C-N 3.33Å; E290-G313 WeakPolarHBondContact CG-O 3.49Å; E290-K314 VanDerWaalsContact CD-CD 3.45Å; E290-K314 HydrophobicContact CG-CD 4.42Å; E290-K314 VanDerWaalsContact OE1-CA 3.3Å; E290-K314 WeakPolarHBondContact OE1-CA 3.31Å; E290-K314 WeakPolarHBondContact OE1-CD 3.49Å; E290-K314 WeakPolarHBondContact OE2-CD 3.28Å; E290-K314 IonicContact OE2-NZ 3.94Å; E290-K314 PolarHBondContact OE2-NZ 2.94Å; E290-Q315 PolarHBondContact OE1-N 2.8Å; E290-L316 HydrophobicContact CG-CG 4.36Å
291	D	95.5	Very high	96.6	Very high	85 Å²	85	28 Å²	28	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	5.4	175	68.8	-13.8	0	0	0	113.2	G289 C293	G289-D291 PolarHBondContact O-N 3.13Å; D291-C293 WeakPolarHBondContact OD1-CB 3.33Å; D291-C293 PolarHBondContact OD1-N 2.81Å; D291-C293 PolarHBondContact OD1-SG 3.49Å
292	G	96.5	Very high	96.6	Very high	50 Å²	50	28.5 Å²	28.5	52%	0.515	16%	0.161	S	C	.	.	S	Bend	trans	86.8	0.9	-176.9	0	0	0	0	0	115.2	G289 E290 L294 G295	G289-G292 WeakPolarHBondContact O-CA 3.36Å; G289-G292 PolarHBondContact O-N 3.07Å; E290-G292 VanDerWaalsContact C-N 3.33Å; G292-L294 PolarHBondContact O-N 2.8Å; G292-L294 VanDerWaalsContact O-N 3.08Å; G292-G295 PolarHBondContact O-N 3.3Å
293	C	96.6	Very high	96.7	Very high	21 Å²	21	33.6 Å²	33.6	14%	0.142	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.5	-176	66.2	0	0	0	0	115.1	H48 V52 G289 D291	H48-C293 PolarHBondContact NE2-O 3.43Å; V52-C293 HydrophobicContact CG1-CB 3.65Å; V52-C293 WeakPolarHBondContact CG1-SG 3.39Å; G289-C293 VanDerWaalsContact CA-SG 3.57Å; D291-C293 WeakPolarHBondContact OD1-CB 3.33Å; D291-C293 PolarHBondContact OD1-N 2.81Å; D291-C293 PolarHBondContact OD1-SG 3.49Å
294	L	96.5	Very high	96.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	7.6	174.8	-63.8	-172.5	0	0	0	113.7	V49 V52 L288 G292 Q296 I297 M298 F317	V49-L294 HydrophobicContact CG2-CD2 4.14Å; V52-L294 HydrophobicContact CB-CD2 4.35Å; V52-L294 HydrophobicContact CG1-CD2 4.05Å; L288-L294 HydrophobicContact CB-CD1 4.39Å; L288-L294 HydrophobicContact CD2-CD1 3.94Å; L288-L294 HydrophobicContact CD2-CD2 4.44Å; L288-L294 HydrophobicContact CG-CD1 3.8Å; L288-L294 HydrophobicContact CG-CG 4.2Å; G292-L294 PolarHBondContact O-N 2.8Å; G292-L294 VanDerWaalsContact O-N 3.08Å; L294-Q296 PolarHBondContact O-N 3.44Å; L294-I297 HydrophobicContact CB-CD1 4.33Å; L294-I297 HydrophobicContact CB-CG1 4.03Å; L294-I297 HydrophobicContact CD1-CD1 4.39Å; L294-I297 HydrophobicContact CD2-CD1 4.31Å; L294-I297 WeakPolarHBondContact O-CG1 3.47Å; L294-I297 PolarHBondContact O-N 3.28Å; L294-M298 HydrophobicContact CB-CE 3.77Å; L294-M298 HydrophobicContact CB-CG 4.36Å; L294-M298 HydrophobicContact CD1-CE 3.81Å; L294-M298 HydrophobicContact CG-CE 4.47Å; L294-M298 WeakPolarHBondContact O-CG 3.15Å; L294-M298 PolarHBondContact O-N 2.84Å; L294-F317 HydrophobicContact CD1-CD2 3.72Å; L294-F317 HydrophobicContact CD1-CE2 4.33Å
295	G	96	Very high	96.7	Very high	41 Å²	41	37.6 Å²	37.6	42%	0.423	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-31.8	-170.9	0	0	0	0	0	115.2	G292 I297 M298	G292-G295 PolarHBondContact O-N 3.3Å; G295-I297 VanDerWaalsContact C-N 3.33Å; G295-I297 PolarHBondContact O-N 3.37Å; G295-M298 PolarHBondContact O-N 3.46Å
296	Q	93.7	Very high	96.6	Very high	127 Å²	127	38.7 Å²	38.7	59%	0.593	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.8	-179.8	75.6	-174.6	33.4	0	0	114.5	H48 L294	H48-Q296 PolarHBondContact CD2-NE2 2.79Å; H48-Q296 PolarHBondContact ND1-NE2 2.85Å; H48-Q296 PolarHBondContact NE2-NE2 3.44Å; L294-Q296 PolarHBondContact O-N 3.44Å
297	I	96.2	Very high	96.7	Very high	7 Å²	7	45 Å²	45	4%	0.036	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-7.9	178.4	64.3	154.2	0	0	0	112.6	L41 D45 V49 L294 G295 R410 L414	L41-I297 HydrophobicContact CD2-CB 4.46Å; D45-I297 HydrophobicContact CB-CG2 3.94Å; V49-I297 HydrophobicContact CG2-CD1 3.49Å; V49-I297 VanDerWaalsContact CG2-CD1 3.49Å; L294-I297 HydrophobicContact CB-CD1 4.33Å; L294-I297 HydrophobicContact CB-CG1 4.03Å; L294-I297 HydrophobicContact CD1-CD1 4.39Å; L294-I297 HydrophobicContact CD2-CD1 4.31Å; L294-I297 WeakPolarHBondContact O-CG1 3.47Å; L294-I297 PolarHBondContact O-N 3.28Å; G295-I297 VanDerWaalsContact C-N 3.33Å; G295-I297 PolarHBondContact O-N 3.37Å; I297-R410 PolarHBondContact O-NH2 3Å; I297-L414 HydrophobicContact CD1-CD2 3.66Å
298	M	97.3	Very high	96.6	Very high	31 Å²	31	48.4 Å²	48.4	15%	0.153	27%	0.274	C	S	.	.			trans	-84.3	119.2	-179.5	-65.9	-62.4	-179.3	0	0	109.9	L294 G295 D302 L316 V320	L294-M298 HydrophobicContact CB-CE 3.77Å; L294-M298 HydrophobicContact CB-CG 4.36Å; L294-M298 HydrophobicContact CD1-CE 3.81Å; L294-M298 HydrophobicContact CG-CE 4.47Å; L294-M298 WeakPolarHBondContact O-CG 3.15Å; L294-M298 PolarHBondContact O-N 2.84Å; G295-M298 PolarHBondContact O-N 3.46Å; M298-D302 HydrophobicContact SD-CB 4.36Å; M298-L316 HydrophobicContact CE-CB 4.17Å; M298-V320 HydrophobicContact SD-CG1 3.98Å
299	T	97.7	Very high	96.2	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	28%	0.282	C	S	.	.			trans	-85	170.4	-178.2	72.8	0	0	0	0	111.7	D38 L39 Y301 D302 K303	D38-T299 HydrophobicContact CB-CG2 4.08Å; L39-T299 HydrophobicContact CD2-CG2 3.87Å; L39-T299 HydrophobicContact CG-CG2 4.24Å; T299-Y301 PolarHBondContact O-N 3.16Å; T299-Y301 PolarHBondContact OG1-N 3.48Å; T299-D302 WeakPolarHBondContact CA-OD2 3.21Å; T299-D302 WeakPolarHBondContact CB-OD2 3.43Å; T299-D302 PolarHBondContact N-OD2 3.49Å; T299-D302 PolarHBondContact O-N 3.43Å; T299-D302 VanDerWaalsContact OG1-CG 3.24Å; T299-D302 PolarHBondContact OG1-N 2.98Å; T299-D302 PolarHBondContact OG1-OD2 3.3Å; T299-K303 PolarHBondContact O-N 3.43Å
300	R	97.5	Very high	95.6	Very high	116 Å²	116	55.4 Å²	55.4	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-30.8	171.9	67.5	175.9	-178.1	-101.7	3.2	113.1	L35 K303 L304 D336	L35-R300 VanDerWaalsContact CD2-NH2 3.29Å; L35-R300 PolarHBondContact O-NH2 3.17Å; R300-K303 PolarHBondContact O-N 3.18Å; R300-L304 PolarHBondContact O-N 3.05Å; R300-D336 IonicContact CZ-OD2 3.05Å; R300-D336 IonicContact NE-OD2 3.96Å; R300-D336 PolarHBondContact NE-OD2 3.35Å; R300-D336 IonicContact NH2-OD2 3.58Å; R300-D336 PolarHBondContact NH2-OD2 3.48Å
301	Y	98.3	Very high	95.1	Very high	8 Å²	8	54.6 Å²	54.6	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-72.2	-38.3	179.2	-52.2	-72.4	0	0	0	111.3	L35 L39 T299 K303 L304 V305 I333 D336	L35-Y301 PolarHBondContact O-OH 2.98Å; L39-Y301 HydrophobicContact CD1-CD2 4.23Å; L39-Y301 HydrophobicContact CD1-CE2 4.3Å; L39-Y301 HydrophobicContact CD2-CD2 4.41Å; L39-Y301 HydrophobicContact CG-CD2 4.43Å; T299-Y301 PolarHBondContact O-N 3.16Å; T299-Y301 PolarHBondContact OG1-N 3.48Å; Y301-K303 VanDerWaalsContact C-N 3.31Å; Y301-K303 PolarHBondContact O-N 3.34Å; Y301-L304 WeakPolarHBondContact O-CB 3.29Å; Y301-L304 PolarHBondContact O-N 3.25Å; Y301-V305 WeakPolarHBondContact O-CG2 3.4Å; Y301-V305 PolarHBondContact O-N 3.02Å; Y301-I333 HydrophobicContact CD1-CB 4.41Å; Y301-I333 HydrophobicContact CD1-CG1 3.65Å; Y301-I333 HydrophobicContact CD2-CD1 4.46Å; Y301-I333 HydrophobicContact CD2-CG1 3.8Å; Y301-I333 HydrophobicContact CE1-CB 4.27Å; Y301-I333 HydrophobicContact CE1-CG1 3.87Å; Y301-I333 HydrophobicContact CE2-CG1 4.01Å; Y301-I333 HydrophobicContact CG-CD1 4.49Å; Y301-I333 HydrophobicContact CG-CG1 3.6Å; Y301-D336 HydrophobicContact CE1-CB 3.74Å; Y301-D336 WeakPolarHBondContact CE1-OD2 3.3Å; Y301-D336 PolarHBondContact OH-OD2 2.75Å
302	D	98.2	Very high	95	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-42.5	175.4	-52.1	-50.2	0	0	0	110.8	M298 T299 L304 V305 D306 V320 L329 R410	M298-D302 HydrophobicContact SD-CB 4.36Å; T299-D302 WeakPolarHBondContact CA-OD2 3.21Å; T299-D302 WeakPolarHBondContact CB-OD2 3.43Å; T299-D302 PolarHBondContact N-OD2 3.49Å; T299-D302 PolarHBondContact O-N 3.43Å; T299-D302 VanDerWaalsContact OG1-CG 3.24Å; T299-D302 PolarHBondContact OG1-N 2.98Å; T299-D302 PolarHBondContact OG1-OD2 3.3Å; D302-L304 VanDerWaalsContact C-N 3.32Å; D302-L304 PolarHBondContact O-N 3.25Å; D302-V305 PolarHBondContact O-N 2.9Å; D302-D306 VanDerWaalsContact O-CB 3.31Å; D302-D306 WeakPolarHBondContact O-CB 3.34Å; D302-D306 PolarHBondContact O-N 3.35Å; D302-V320 HydrophobicContact CB-CG1 4.09Å; D302-V320 WeakPolarHBondContact OD1-CG1 3.5Å; D302-L329 WeakPolarHBondContact OD1-CD1 3.37Å; D302-R410 IonicContact OD1-CZ 3.95Å; D302-R410 IonicContact OD1-NH1 2.67Å; D302-R410 PolarHBondContact OD1-NH1 2.99Å; D302-R410 IonicContact OD1-NH2 2.94Å; D302-R410 IonicContact OD2-CZ 3.41Å; D302-R410 VanDerWaalsContact OD2-CZ 3.26Å; D302-R410 IonicContact OD2-NH1 3.5Å; D302-R410 PolarHBondContact OD2-NH1 3.4Å; D302-R410 IonicContact OD2-NH2 3.67Å; D302-R410 PolarHBondContact OD2-NH2 3.14Å
303	K	97.6	Very high	94.9	Very high	118 Å²	118	53.3 Å²	53.3	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-39.8	175.2	-67.1	176.2	-175.9	178.8	0	111.9	T299 R300 Y301 D306 Q307	T299-K303 PolarHBondContact O-N 3.43Å; R300-K303 PolarHBondContact O-N 3.18Å; Y301-K303 VanDerWaalsContact C-N 3.31Å; Y301-K303 PolarHBondContact O-N 3.34Å; K303-D306 PolarHBondContact O-N 3.32Å; K303-Q307 WeakPolarHBondContact O-CB 3.36Å; K303-Q307 WeakPolarHBondContact O-CG 3.4Å; K303-Q307 PolarHBondContact O-N 2.91Å
304	L	97.2	Very high	94.8	Very high	90 Å²	90	57.5 Å²	57.5	47%	0.471	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-45.9	177.1	-176.3	64.1	0	0	0	111.5	R300 Y301 D302 D306 Q307 G308 C332	R300-L304 PolarHBondContact O-N 3.05Å; Y301-L304 WeakPolarHBondContact O-CB 3.29Å; Y301-L304 PolarHBondContact O-N 3.25Å; D302-L304 VanDerWaalsContact C-N 3.32Å; D302-L304 PolarHBondContact O-N 3.25Å; L304-D306 VanDerWaalsContact C-N 3.34Å; L304-D306 PolarHBondContact O-N 3.23Å; L304-Q307 PolarHBondContact O-N 2.96Å; L304-G308 PolarHBondContact O-N 3.06Å; L304-C332 HydrophobicContact CD2-CB 4.04Å
305	V	97.4	Very high	94.6	Very high	8 Å²	8	58.2 Å²	58.2	5%	0.048	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-41.6	175.8	172.5	0	0	0	0	111	Y301 D302 G308 S309 Y325 E328 L329	Y301-V305 WeakPolarHBondContact O-CG2 3.4Å; Y301-V305 PolarHBondContact O-N 3.02Å; D302-V305 PolarHBondContact O-N 2.9Å; V305-G308 PolarHBondContact O-N 3.46Å; V305-S309 PolarHBondContact O-N 3.08Å; V305-S309 VanDerWaalsContact O-N 3.15Å; V305-Y325 HydrophobicContact CG1-CD1 4.02Å; V305-E328 HydrophobicContact CG1-CG 4.45Å; V305-E328 HydrophobicContact CG2-CG 4.23Å; V305-L329 HydrophobicContact CG2-CB 4.27Å; V305-L329 HydrophobicContact CG2-CD1 3.94Å
306	D	96.3	Very high	94.6	Very high	23 Å²	23	57.7 Å²	57.7	12%	0.123	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-48.5	176.9	179.1	49.2	0	0	0	112.1	D302 K303 L304 G308 S309 P312 G313 L316 K319	D302-D306 VanDerWaalsContact O-CB 3.31Å; D302-D306 WeakPolarHBondContact O-CB 3.34Å; D302-D306 PolarHBondContact O-N 3.35Å; K303-D306 PolarHBondContact O-N 3.32Å; L304-D306 VanDerWaalsContact C-N 3.34Å; L304-D306 PolarHBondContact O-N 3.23Å; D306-G308 VanDerWaalsContact C-N 3.3Å; D306-G308 PolarHBondContact O-N 3.37Å; D306-S309 WeakPolarHBondContact O-CB 3.21Å; D306-S309 PolarHBondContact O-N 3.18Å; D306-S309 VanDerWaalsContact O-N 3.1Å; D306-S309 PolarHBondContact O-OG 2.94Å; D306-P312 WeakPolarHBondContact O-CA 3.39Å; D306-G313 VanDerWaalsContact CG-N 3.32Å; D306-G313 PolarHBondContact OD1-N 2.86Å; D306-G313 PolarHBondContact OD2-N 3.01Å; D306-L316 HydrophobicContact CB-CD2 4.14Å; D306-L316 VanDerWaalsContact OD1-CD2 3.3Å; D306-L316 WeakPolarHBondContact OD1-CD2 3.13Å; D306-K319 HydrophobicContact CB-CD 4.26Å; D306-K319 IonicContact OD1-NZ 3.34Å; D306-K319 PolarHBondContact OD1-NZ 3.04Å
307	Q	96.6	Very high	94.8	Very high	134 Å²	134	51.7 Å²	51.7	63%	0.626	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-36.5	178.4	-73.8	168.2	8.4	0	0	112.8	K303 L304 S309	K303-Q307 WeakPolarHBondContact O-CB 3.36Å; K303-Q307 WeakPolarHBondContact O-CG 3.4Å; K303-Q307 PolarHBondContact O-N 2.91Å; L304-Q307 PolarHBondContact O-N 2.96Å; Q307-S309 VanDerWaalsContact C-N 3.29Å
308	G	92	Very high	94.9	Very high	73 Å²	73	52.1 Å²	52.1	75%	0.753	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.9	176.6	0	0	0	0	0	114.7	L304 V305 D306	L304-G308 PolarHBondContact O-N 3.06Å; V305-G308 PolarHBondContact O-N 3.46Å; D306-G308 VanDerWaalsContact C-N 3.3Å; D306-G308 PolarHBondContact O-N 3.37Å
309	S	90.5	Very high	94.8	Very high	22 Å²	22	51 Å²	51	15%	0.154	28%	0.276	C	S	.	.	S	Bend	trans	-81.3	165.6	-178	76.5	0	0	0	0	112.8	V305 D306 Q307 N311 P312 K319	V305-S309 PolarHBondContact O-N 3.08Å; V305-S309 VanDerWaalsContact O-N 3.15Å; D306-S309 WeakPolarHBondContact O-CB 3.21Å; D306-S309 PolarHBondContact O-N 3.18Å; D306-S309 VanDerWaalsContact O-N 3.1Å; D306-S309 PolarHBondContact O-OG 2.94Å; Q307-S309 VanDerWaalsContact C-N 3.29Å; S309-N311 PolarHBondContact O-N 2.97Å; S309-N311 PolarHBondContact OG-N 3.3Å; S309-N311 PolarHBondContact OG-O 3.37Å; S309-N311 PolarHBondContact OG-OD1 3Å; S309-P312 WeakPolarHBondContact O-CD 3.43Å; S309-K319 WeakPolarHBondContact OG-CE 3.21Å; S309-K319 PolarHBondContact OG-NZ 3.42Å
310	I	83.5	Confident	94.8	Very high	130 Å²	130	50.9 Å²	50.9	67%	0.667	28%	0.276	S	S	*	.	S	Bend	trans	-68.2	-12.3	173.7	62	170.3	0	0	0	113.5
311	N	86.2	Confident	94.9	Very high	39 Å²	39	45.3 Å²	45.3	21%	0.209	26%	0.255	C	S	.	.	S	Bend	trans	-140.3	65.3	-174.5	60.6	-27.8	0	0	0	111.4	S309 K314 Q315 K319	S309-N311 PolarHBondContact O-N 2.97Å; S309-N311 PolarHBondContact OG-N 3.3Å; S309-N311 PolarHBondContact OG-O 3.37Å; S309-N311 PolarHBondContact OG-OD1 3Å; N311-K314 HydrophobicContact CB-CB 4.12Å; N311-K314 WeakPolarHBondContact O-CB 3.34Å; N311-K314 PolarHBondContact O-N 3.36Å; N311-K314 VanDerWaalsContact O-N 3.15Å; N311-Q315 WeakPolarHBondContact ND2-CG 3.37Å; N311-K319 PolarHBondContact O-NZ 2.68Å; N311-K319 PolarHBondContact OD1-NZ 3.45Å
312	P	94.3	Very high	94.8	Very high	77 Å²	77	45 Å²	45	50%	0.5	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	140.6	-179.8	-23.9	35.7	0	0	0	112.5	D306 S309 K314	D306-P312 WeakPolarHBondContact O-CA 3.39Å; S309-P312 WeakPolarHBondContact O-CD 3.43Å; P312-K314 PolarHBondContact O-N 3.32Å
313	G	94.6	Very high	94.6	Very high	32 Å²	32	45.2 Å²	45.2	33%	0.33	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.8	-177.3	0	0	0	0	0	114.5	E290 D306	E290-G313 WeakPolarHBondContact CG-O 3.49Å; D306-G313 VanDerWaalsContact CG-N 3.32Å; D306-G313 PolarHBondContact OD1-N 2.86Å; D306-G313 PolarHBondContact OD2-N 3.01Å
314	K	93	Very high	94.3	Very high	108 Å²	108	43.7 Å²	43.7	47%	0.47	25%	0.254	S	S	.	.	S	Bend	trans	-121	154.1	179.5	-61.4	-58.4	-174.6	-169.3	0	112.4	E290 N311 P312 L316 K319	E290-K314 VanDerWaalsContact CD-CD 3.45Å; E290-K314 HydrophobicContact CG-CD 4.42Å; E290-K314 VanDerWaalsContact OE1-CA 3.3Å; E290-K314 WeakPolarHBondContact OE1-CA 3.31Å; E290-K314 WeakPolarHBondContact OE1-CD 3.49Å; E290-K314 WeakPolarHBondContact OE2-CD 3.28Å; E290-K314 IonicContact OE2-NZ 3.94Å; E290-K314 PolarHBondContact OE2-NZ 2.94Å; N311-K314 HydrophobicContact CB-CB 4.12Å; N311-K314 WeakPolarHBondContact O-CB 3.34Å; N311-K314 PolarHBondContact O-N 3.36Å; N311-K314 VanDerWaalsContact O-N 3.15Å; P312-K314 PolarHBondContact O-N 3.32Å; K314-L316 PolarHBondContact O-N 3.47Å; K314-K319 WeakPolarHBondContact O-CE 3.44Å; K314-K319 PolarHBondContact O-NZ 3.01Å
315	Q	92.6	Very high	94.2	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.075	24%	0.235	C	C	.	.	S	Bend	trans	57.1	36.3	175	-53.5	-74	108.4	0	0	112.8	A286 E290 N311 F317 E318 K319	A286-Q315 HydrophobicContact CB-CB 4.37Å; A286-Q315 CarbonylContact O-C 3.55Å; A286-Q315 WeakPolarHBondContact O-CA 3.41Å; E290-Q315 PolarHBondContact OE1-N 2.8Å; N311-Q315 WeakPolarHBondContact ND2-CG 3.37Å; Q315-F317 VanDerWaalsContact C-N 3.32Å; Q315-F317 PolarHBondContact O-N 3.39Å; Q315-E318 HydrophobicContact CB-CB 4.25Å; Q315-E318 PolarHBondContact NE2-OE1 3.39Å; Q315-E318 PolarHBondContact O-N 3.38Å; Q315-K319 WeakPolarHBondContact O-CG 3.41Å; Q315-K319 PolarHBondContact O-N 2.75Å
316	L	96.9	Very high	94.3	Very high	31 Å²	31	40 Å²	40	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-35.3	-169.8	-62.1	-172.7	0	0	0	113.1	A286 G289 E290 M298 D306 K314 K319	A286-L316 PolarHBondContact O-N 3.11Å; G289-L316 WeakPolarHBondContact O-CD1 3.14Å; E290-L316 HydrophobicContact CG-CG 4.36Å; M298-L316 HydrophobicContact CE-CB 4.17Å; D306-L316 HydrophobicContact CB-CD2 4.14Å; D306-L316 VanDerWaalsContact OD1-CD2 3.3Å; D306-L316 WeakPolarHBondContact OD1-CD2 3.13Å; K314-L316 PolarHBondContact O-N 3.47Å; L316-K319 HydrophobicContact CD2-CD 4.36Å; L316-K319 PolarHBondContact O-N 3.19Å
317	F	98.1	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-72.9	-37.3	176.8	-165.3	-119.8	0	0	0	112.3	V49 M53 W285 A286 L288 L294 Q315 K319 V320 I321 L414	V49-F317 HydrophobicContact CG1-CE2 4.07Å; V49-F317 HydrophobicContact CG1-CZ 4.35Å; M53-F317 HydrophobicContact CE-CE1 3.73Å; M53-F317 HydrophobicContact CE-CZ 3.82Å; W285-F317 HydrophobicContact CD2-CE1 4.3Å; W285-F317 HydrophobicContact CG-CD1 4.33Å; W285-F317 HydrophobicContact CG-CE1 4.5Å; A286-F317 WeakPolarHBondContact O-CB 3.23Å; A286-F317 PolarHBondContact O-N 2.95Å; L288-F317 HydrophobicContact CB-CB 3.77Å; L288-F317 HydrophobicContact CB-CD1 4.37Å; L288-F317 HydrophobicContact CB-CD2 4.44Å; L288-F317 HydrophobicContact CB-CG 3.98Å; L288-F317 HydrophobicContact CD2-CD1 4.5Å; L288-F317 HydrophobicContact CD2-CD2 4.08Å; L288-F317 HydrophobicContact CD2-CE2 4.13Å; L288-F317 HydrophobicContact CD2-CG 4.26Å; L288-F317 HydrophobicContact CD2-CZ 4.37Å; L288-F317 WeakPolarHBondContact O-CB 3.4Å; L288-F317 PolarHBondContact O-N 2.91Å; L294-F317 HydrophobicContact CD1-CD2 3.72Å; L294-F317 HydrophobicContact CD1-CE2 4.33Å; Q315-F317 VanDerWaalsContact C-N 3.32Å; Q315-F317 PolarHBondContact O-N 3.39Å; F317-K319 VanDerWaalsContact C-N 3.32Å; F317-K319 PolarHBondContact O-N 3.16Å; F317-V320 HydrophobicContact CD2-CG2 4.41Å; F317-V320 VanDerWaalsContact O-CG2 3.23Å; F317-V320 WeakPolarHBondContact O-CG2 3.49Å; F317-V320 PolarHBondContact O-N 3.42Å; F317-I321 HydrophobicContact CD1-CD1 3.72Å; F317-I321 HydrophobicContact CD2-CD1 4.26Å; F317-I321 HydrophobicContact CE1-CD1 3.39Å; F317-I321 HydrophobicContact CE2-CD1 3.98Å; F317-I321 HydrophobicContact CG-CD1 4.15Å; F317-I321 HydrophobicContact CZ-CD1 3.53Å; F317-I321 WeakPolarHBondContact O-CG1 3.4Å; F317-L414 HydrophobicContact CE2-CB 4.09Å; F317-L414 HydrophobicContact CZ-CB 4.33Å
318	E	96.5	Very high	94.4	Very high	16 Å²	16	34.2 Å²	34.2	8%	0.075	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-39.2	173.4	173.4	175.3	77.8	0	0	111.4	G240 S241 A286 Q315 V320 I321 S322 Y325	G240-E318 WeakPolarHBondContact CA-OE2 3.16Å; S241-E318 PolarHBondContact N-OE2 3.26Å; A286-E318 HydrophobicContact CB-CB 3.51Å; A286-E318 HydrophobicContact CB-CG 4.38Å; A286-E318 PolarHBondContact O-N 3.29Å; Q315-E318 HydrophobicContact CB-CB 4.25Å; Q315-E318 PolarHBondContact NE2-OE1 3.39Å; Q315-E318 PolarHBondContact O-N 3.38Å; E318-V320 PolarHBondContact O-N 2.73Å; E318-I321 PolarHBondContact O-N 2.94Å; E318-S322 PolarHBondContact O-N 2.98Å; E318-S322 PolarHBondContact O-OG 3.04Å; E318-Y325 HydrophobicContact CG-CE2 4.1Å
319	K	96.3	Very high	94.7	Very high	8 Å²	8	31 Å²	31	4%	0.035	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-25.5	178.3	-79.2	167	171.8	163.7	0	114.9	D306 S309 N311 K314 Q315 L316 F317 Y325	D306-K319 HydrophobicContact CB-CD 4.26Å; D306-K319 IonicContact OD1-NZ 3.34Å; D306-K319 PolarHBondContact OD1-NZ 3.04Å; S309-K319 WeakPolarHBondContact OG-CE 3.21Å; S309-K319 PolarHBondContact OG-NZ 3.42Å; N311-K319 PolarHBondContact O-NZ 2.68Å; N311-K319 PolarHBondContact OD1-NZ 3.45Å; K314-K319 WeakPolarHBondContact O-CE 3.44Å; K314-K319 PolarHBondContact O-NZ 3.01Å; Q315-K319 WeakPolarHBondContact O-CG 3.41Å; Q315-K319 PolarHBondContact O-N 2.75Å; L316-K319 HydrophobicContact CD2-CD 4.36Å; L316-K319 PolarHBondContact O-N 3.19Å; F317-K319 VanDerWaalsContact C-N 3.32Å; F317-K319 PolarHBondContact O-N 3.16Å; K319-Y325 VanDerWaalsContact CA-CD2 3.46Å; K319-Y325 HydrophobicContact CB-CD2 4.2Å; K319-Y325 HydrophobicContact CB-CG 4.17Å; K319-Y325 HydrophobicContact CD-CE1 4.43Å; K319-Y325 HydrophobicContact CG-CD1 3.8Å; K319-Y325 HydrophobicContact CG-CD2 3.79Å; K319-Y325 HydrophobicContact CG-CE1 3.72Å; K319-Y325 HydrophobicContact CG-CE2 3.71Å; K319-Y325 HydrophobicContact CG-CG 3.82Å; K319-Y325 WeakPolarHBondContact O-CB 3.34Å
320	V	97.9	Very high	95.1	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.048	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	3.2	177.7	-59.2	0	0	0	0	113.5	M298 D302 F317 E318 A411 L414	M298-V320 HydrophobicContact SD-CG1 3.98Å; D302-V320 HydrophobicContact CB-CG1 4.09Å; D302-V320 WeakPolarHBondContact OD1-CG1 3.5Å; F317-V320 HydrophobicContact CD2-CG2 4.41Å; F317-V320 VanDerWaalsContact O-CG2 3.23Å; F317-V320 WeakPolarHBondContact O-CG2 3.49Å; F317-V320 PolarHBondContact O-N 3.42Å; E318-V320 PolarHBondContact O-N 2.73Å; V320-A411 WeakPolarHBondContact O-CA 3.19Å; V320-A411 WeakPolarHBondContact O-CB 3.45Å; V320-L414 HydrophobicContact CB-CD1 4.13Å; V320-L414 HydrophobicContact CG2-CD1 3.61Å
321	I	98.4	Very high	95.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-47.2	-177.1	-66.1	174.2	0	0	0	112.6	V237 F317 E318 L414 C415	V237-I321 HydrophobicContact CG1-CG2 4.02Å; F317-I321 HydrophobicContact CD1-CD1 3.72Å; F317-I321 HydrophobicContact CD2-CD1 4.26Å; F317-I321 HydrophobicContact CE1-CD1 3.39Å; F317-I321 HydrophobicContact CE2-CD1 3.98Å; F317-I321 HydrophobicContact CG-CD1 4.15Å; F317-I321 HydrophobicContact CZ-CD1 3.53Å; F317-I321 WeakPolarHBondContact O-CG1 3.4Å; E318-I321 PolarHBondContact O-N 2.94Å; I321-L414 HydrophobicContact CD1-CB 4.15Å; I321-L414 HydrophobicContact CG1-CB 4.21Å; I321-C415 HydrophobicContact CD1-CB 4.24Å; I321-C415 HydrophobicContact CG2-CB 4.26Å
322	S	95.8	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-81	160.7	-161.4	86.4	0	0	0	0	114	T239 G240 E318 M324 Y325 M326	T239-S322 WeakPolarHBondContact O-CB 3.24Å; T239-S322 PolarHBondContact O-OG 3.2Å; G240-S322 VanDerWaalsContact C-CB 3.46Å; E318-S322 PolarHBondContact O-N 2.98Å; E318-S322 PolarHBondContact O-OG 3.04Å; S322-M324 PolarHBondContact O-N 2.85Å; S322-M324 PolarHBondContact OG-N 3.2Å; S322-Y325 PolarHBondContact O-N 3.47Å; S322-Y325 VanDerWaalsContact OG-CD2 3.25Å; S322-Y325 WeakPolarHBondContact OG-CD2 3.45Å; S322-M326 WeakPolarHBondContact O-CB 3.47Å; S322-M326 PolarHBondContact O-N 3.36Å
323	G	94.8	Very high	96.6	Very high	17 Å²	17	19.4 Å²	19.4	18%	0.175	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.6	179.2	0	0	0	0	0	114.5	G238 Y325 T360	G238-G323 WeakPolarHBondContact O-CA 3.32Å; G238-G323 PolarHBondContact O-N 3.46Å; G323-Y325 VanDerWaalsContact C-N 3.34Å; G323-T360 WeakPolarHBondContact CA-OG1 3.18Å; G323-T360 PolarHBondContact O-OG1 3.46Å
324	M	91.7	Very high	96.8	Very high	86 Å²	86	17.9 Å²	17.9	42%	0.424	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-31	170.9	-178.2	167.3	178.2	0	0	111.8	T239 S322	T239-M324 HydrophobicContact CG2-CB 4.06Å; T239-M324 HydrophobicContact CG2-SD 4.41Å; T239-M324 WeakPolarHBondContact O-CB 3.39Å; T239-M324 PolarHBondContact O-N 3.35Å; S322-M324 PolarHBondContact O-N 2.85Å; S322-M324 PolarHBondContact OG-N 3.2Å
325	Y	96	Very high	97	Very high	15 Å²	15	14.2 Å²	14.2	6%	0.059	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-21.2	-169.6	-54.6	-76.6	0	0	0	113.5	V305 E318 K319 S322 G323 G327 E328 L329	V305-Y325 HydrophobicContact CG1-CD1 4.02Å; E318-Y325 HydrophobicContact CG-CE2 4.1Å; K319-Y325 VanDerWaalsContact CA-CD2 3.46Å; K319-Y325 HydrophobicContact CB-CD2 4.2Å; K319-Y325 HydrophobicContact CB-CG 4.17Å; K319-Y325 HydrophobicContact CD-CE1 4.43Å; K319-Y325 HydrophobicContact CG-CD1 3.8Å; K319-Y325 HydrophobicContact CG-CD2 3.79Å; K319-Y325 HydrophobicContact CG-CE1 3.72Å; K319-Y325 HydrophobicContact CG-CE2 3.71Å; K319-Y325 HydrophobicContact CG-CG 3.82Å; K319-Y325 WeakPolarHBondContact O-CB 3.34Å; S322-Y325 PolarHBondContact O-N 3.47Å; S322-Y325 VanDerWaalsContact OG-CD2 3.25Å; S322-Y325 WeakPolarHBondContact OG-CD2 3.45Å; G323-Y325 VanDerWaalsContact C-N 3.34Å; Y325-G327 PolarHBondContact O-N 3.25Å; Y325-E328 PolarHBondContact O-N 2.78Å; Y325-E328 VanDerWaalsContact O-N 3.1Å; Y325-L329 PolarHBondContact O-N 3.22Å
326	M	98	Very high	97.3	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.025	8%	0.08	C	C	.	.	H	α-helix	trans	-56.5	-45.7	-177.8	-178.7	-173.8	-68	0	0	112.9	S322 L329 V330 T360 V363 V407 A411 V439 F446	S322-M326 WeakPolarHBondContact O-CB 3.47Å; S322-M326 PolarHBondContact O-N 3.36Å; M326-L329 PolarHBondContact O-N 3.01Å; M326-V330 WeakPolarHBondContact O-CG2 3.44Å; M326-V330 PolarHBondContact O-N 2.92Å; M326-V330 VanDerWaalsContact O-N 3.16Å; M326-T360 HydrophobicContact SD-CG2 3.91Å; M326-V363 HydrophobicContact CG-CG1 4.34Å; M326-V363 HydrophobicContact CG-CG2 4.35Å; M326-V363 HydrophobicContact SD-CB 4.39Å; M326-V363 HydrophobicContact SD-CG1 3.89Å; M326-V407 HydrophobicContact CG-CG1 3.79Å; M326-A411 HydrophobicContact CE-CB 3.87Å; M326-V439 HydrophobicContact CE-CG1 3.85Å; M326-F446 HydrophobicContact CE-CD2 4.36Å; M326-F446 HydrophobicContact CE-CE2 4.15Å
327	G	97.9	Very high	97.3	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-65.2	-38.5	176.4	0	0	0	0	0	113	Y325 V330 R331 F358	Y325-G327 PolarHBondContact O-N 3.25Å; G327-V330 PolarHBondContact O-N 2.7Å; G327-R331 PolarHBondContact O-N 2.71Å; G327-F358 CarbonylContact C-O 3.51Å; G327-F358 WeakPolarHBondContact CA-O 3.49Å
328	E	97.9	Very high	97.3	Very high	34 Å²	34	13.8 Å²	13.8	16%	0.159	7%	0.073	C	C	.	.	H	α-helix	trans	-69.4	-36.4	178.8	-169.2	63	-172.9	0	0	112	V305 Y325 R331 C332 G356	V305-E328 HydrophobicContact CG1-CG 4.45Å; V305-E328 HydrophobicContact CG2-CG 4.23Å; Y325-E328 PolarHBondContact O-N 2.78Å; Y325-E328 VanDerWaalsContact O-N 3.1Å; E328-R331 VanDerWaalsContact CD-NE 3.26Å; E328-R331 WeakPolarHBondContact O-CB 3.35Å; E328-R331 PolarHBondContact O-N 3.24Å; E328-R331 IonicContact OE1-CZ 3.91Å; E328-R331 VanDerWaalsContact OE1-CZ 3.26Å; E328-R331 IonicContact OE1-NE 2.74Å; E328-R331 PolarHBondContact OE1-NE 2.73Å; E328-R331 IonicContact OE1-NH2 2.69Å; E328-R331 PolarHBondContact OE1-NH2 3.45Å; E328-R331 IonicContact OE2-CZ 2.64Å; E328-R331 IonicContact OE2-NE 3.18Å; E328-R331 PolarHBondContact OE2-NE 3.32Å; E328-C332 WeakPolarHBondContact O-CB 3.42Å; E328-C332 PolarHBondContact O-N 3.31Å; E328-C332 PolarHBondContact O-SG 2.95Å; E328-C332 VanDerWaalsContact O-SG 3.32Å; E328-G356 PolarHBondContact OE2-N 3.03Å
329	L	98.4	Very high	97.4	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-44.6	173.3	-171.4	63	0	0	0	110.8	D302 V305 Y325 M326 C332 I333 V407	D302-L329 WeakPolarHBondContact OD1-CD1 3.37Å; V305-L329 HydrophobicContact CG2-CB 4.27Å; V305-L329 HydrophobicContact CG2-CD1 3.94Å; Y325-L329 PolarHBondContact O-N 3.22Å; M326-L329 PolarHBondContact O-N 3.01Å; L329-C332 PolarHBondContact O-N 3.34Å; L329-I333 HydrophobicContact CG-CD1 4.26Å; L329-I333 VanDerWaalsContact O-CD1 3.29Å; L329-I333 WeakPolarHBondContact O-CD1 3.37Å; L329-I333 VanDerWaalsContact O-CG1 3.24Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 2.72Å; L329-I333 VanDerWaalsContact O-N 3.15Å; L329-V407 HydrophobicContact CB-CG1 4.39Å; L329-V407 HydrophobicContact CD2-CG1 3.9Å; L329-V407 HydrophobicContact CD2-CG2 4.2Å; L329-V407 HydrophobicContact CG-CG1 4.39Å; L329-V407 HydrophobicContact CG-CG2 4.25Å
330	V	98.6	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-50.1	172.9	171.7	0	0	0	0	110.5	M326 G327 C332 I333 L334 F358 V363 I403 V407	M326-V330 WeakPolarHBondContact O-CG2 3.44Å; M326-V330 PolarHBondContact O-N 2.92Å; M326-V330 VanDerWaalsContact O-N 3.16Å; G327-V330 PolarHBondContact O-N 2.7Å; V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 2.69Å; V330-I333 WeakPolarHBondContact O-CB 3.31Å; V330-I333 PolarHBondContact O-N 2.73Å; V330-L334 HydrophobicContact CG1-CD1 3.95Å; V330-L334 HydrophobicContact CG1-CG 4.02Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 3.02Å; V330-F358 HydrophobicContact CB-CD1 4.15Å; V330-F358 HydrophobicContact CB-CE1 4Å; V330-F358 HydrophobicContact CG1-CD1 3.95Å; V330-F358 HydrophobicContact CG1-CE1 3.47Å; V330-F358 VanDerWaalsContact CG1-CE1 3.47Å; V330-F358 HydrophobicContact CG1-CZ 3.79Å; V330-V363 HydrophobicContact CB-CG2 4.49Å; V330-V363 HydrophobicContact CG2-CG2 3.96Å; V330-I403 HydrophobicContact CG1-CG2 4.09Å; V330-I403 HydrophobicContact CG2-CG2 4.4Å; V330-V407 HydrophobicContact CG2-CB 3.83Å; V330-V407 HydrophobicContact CG2-CG1 3.99Å; V330-V407 HydrophobicContact CG2-CG2 3.81Å
331	R	98.4	Very high	97.3	Very high	17 Å²	17	27.5 Å²	27.5	6%	0.064	15%	0.147	C	C	.	.	H	α-helix	trans	-53.4	-48	179.3	-161.8	-172.3	67.3	80.6	3.3	112.5	G327 E328 I333 L334 L335 L352 S353 T354 F358	G327-R331 PolarHBondContact O-N 2.71Å; E328-R331 VanDerWaalsContact CD-NE 3.26Å; E328-R331 WeakPolarHBondContact O-CB 3.35Å; E328-R331 PolarHBondContact O-N 3.24Å; E328-R331 IonicContact OE1-CZ 3.91Å; E328-R331 VanDerWaalsContact OE1-CZ 3.26Å; E328-R331 IonicContact OE1-NE 2.74Å; E328-R331 PolarHBondContact OE1-NE 2.73Å; E328-R331 IonicContact OE1-NH2 2.69Å; E328-R331 PolarHBondContact OE1-NH2 3.45Å; E328-R331 IonicContact OE2-CZ 2.64Å; E328-R331 IonicContact OE2-NE 3.18Å; E328-R331 PolarHBondContact OE2-NE 3.32Å; R331-I333 VanDerWaalsContact C-N 3.31Å; R331-I333 PolarHBondContact O-N 3.22Å; R331-L334 PolarHBondContact O-N 3.31Å; R331-L335 PolarHBondContact O-N 3.18Å; R331-L352 WeakPolarHBondContact CD-O 3.45Å; R331-L352 HydrophobicContact CG-CD1 4.1Å; R331-L352 WeakPolarHBondContact CG-O 3.36Å; R331-L352 PolarHBondContact NH1-O 2.69Å; R331-S353 PolarHBondContact NH1-O 3Å; R331-T354 WeakPolarHBondContact CD-O 3.47Å; R331-F358 HydrophobicContact CB-CB 3.85Å; R331-F358 HydrophobicContact CG-CB 3.99Å
332	C	98.3	Very high	97.2	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.054	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-40.7	177.9	-75.9	0	0	0	0	112.2	L304 E328 L329 V330 D336	L304-C332 HydrophobicContact CD2-CB 4.04Å; E328-C332 WeakPolarHBondContact O-CB 3.42Å; E328-C332 PolarHBondContact O-N 3.31Å; E328-C332 PolarHBondContact O-SG 2.95Å; E328-C332 VanDerWaalsContact O-SG 3.32Å; L329-C332 PolarHBondContact O-N 3.34Å; V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 2.69Å; C332-D336 PolarHBondContact O-N 2.69Å; C332-D336 VanDerWaalsContact O-N 3.11Å
333	I	98.5	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.6	-45.8	176.3	-62.5	156.9	0	0	0	110.5	V36 L39 Y301 L329 V330 R331 L335 D336 L337 I403 V407	V36-I333 HydrophobicContact CG1-CG2 3.78Å; L39-I333 HydrophobicContact CD1-CD1 3.41Å; L39-I333 VanDerWaalsContact CD1-CD1 3.41Å; L39-I333 HydrophobicContact CD1-CG1 4.17Å; L39-I333 HydrophobicContact CD2-CD1 4.47Å; Y301-I333 HydrophobicContact CD1-CB 4.41Å; Y301-I333 HydrophobicContact CD1-CG1 3.65Å; Y301-I333 HydrophobicContact CD2-CD1 4.46Å; Y301-I333 HydrophobicContact CD2-CG1 3.8Å; Y301-I333 HydrophobicContact CE1-CB 4.27Å; Y301-I333 HydrophobicContact CE1-CG1 3.87Å; Y301-I333 HydrophobicContact CE2-CG1 4.01Å; Y301-I333 HydrophobicContact CG-CD1 4.49Å; Y301-I333 HydrophobicContact CG-CG1 3.6Å; L329-I333 HydrophobicContact CG-CD1 4.26Å; L329-I333 VanDerWaalsContact O-CD1 3.29Å; L329-I333 WeakPolarHBondContact O-CD1 3.37Å; L329-I333 VanDerWaalsContact O-CG1 3.24Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 2.72Å; L329-I333 VanDerWaalsContact O-N 3.15Å; V330-I333 WeakPolarHBondContact O-CB 3.31Å; V330-I333 PolarHBondContact O-N 2.73Å; R331-I333 VanDerWaalsContact C-N 3.31Å; R331-I333 PolarHBondContact O-N 3.22Å; I333-L335 VanDerWaalsContact C-N 3.3Å; I333-L335 PolarHBondContact O-N 2.83Å; I333-D336 PolarHBondContact O-N 2.9Å; I333-D336 VanDerWaalsContact O-N 3.16Å; I333-L337 HydrophobicContact CG2-CD1 4.34Å; I333-L337 HydrophobicContact CG2-CG 4.46Å; I333-L337 WeakPolarHBondContact O-CG 3.32Å; I333-L337 PolarHBondContact O-N 3Å; I333-I403 HydrophobicContact CB-CG2 3.92Å; I333-I403 HydrophobicContact CD1-CG2 3.96Å; I333-I403 HydrophobicContact CG2-CD1 3.92Å; I333-I403 HydrophobicContact CG2-CG1 4.1Å; I333-I403 HydrophobicContact CG2-CG2 3.69Å; I333-V407 HydrophobicContact CD1-CG2 3.55Å
334	L	98.4	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-43	178.7	-62.8	-175.2	0	0	0	111.2	V330 R331 L337 V338 L343 L352 F358 V400 I403	V330-L334 HydrophobicContact CG1-CD1 3.95Å; V330-L334 HydrophobicContact CG1-CG 4.02Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 3.02Å; R331-L334 PolarHBondContact O-N 3.31Å; L334-L337 PolarHBondContact O-N 3.43Å; L334-V338 WeakPolarHBondContact O-CG2 3.4Å; L334-V338 PolarHBondContact O-N 3.48Å; L334-L343 HydrophobicContact CB-CD2 4.18Å; L334-L343 HydrophobicContact CD2-CD2 3.78Å; L334-L343 HydrophobicContact CG-CD2 4.48Å; L334-L352 HydrophobicContact CB-CD1 4.27Å; L334-L352 HydrophobicContact CD1-CD1 4.13Å; L334-F358 HydrophobicContact CD1-CD2 4.24Å; L334-F358 HydrophobicContact CD1-CE2 3.88Å; L334-F358 HydrophobicContact CD1-CZ 4.33Å; L334-V400 HydrophobicContact CD1-CG1 4.48Å; L334-V400 HydrophobicContact CD1-CG2 4.45Å; L334-V400 HydrophobicContact CD2-CG2 3.97Å; L334-I403 HydrophobicContact CD2-CB 4.24Å; L334-I403 HydrophobicContact CD2-CG1 4.23Å; L334-I403 HydrophobicContact CD2-CG2 4.29Å
335	L	98.1	Very high	97.3	Very high	31 Å²	31	29.2 Å²	29.2	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-40.4	175.2	-74.9	-178.8	0	0	0	113.1	R331 I333 L337 V338 N339 A348 L352	R331-L335 PolarHBondContact O-N 3.18Å; I333-L335 VanDerWaalsContact C-N 3.3Å; I333-L335 PolarHBondContact O-N 2.83Å; L335-L337 VanDerWaalsContact C-N 3.31Å; L335-L337 PolarHBondContact O-N 3.25Å; L335-V338 PolarHBondContact O-N 2.85Å; L335-N339 WeakPolarHBondContact O-CB 3.48Å; L335-N339 PolarHBondContact O-N 2.98Å; L335-N339 PolarHBondContact O-ND2 3.28Å; L335-A348 HydrophobicContact CD2-CB 3.76Å; L335-L352 HydrophobicContact CD2-CD2 4.17Å; L335-L352 HydrophobicContact CD2-CG 3.95Å; L335-L352 HydrophobicContact CG-CG 4.44Å
336	D	98.2	Very high	97.3	Very high	37 Å²	37	29.8 Å²	29.8	20%	0.198	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-41.8	174.4	-166.9	27.5	0	0	0	110.7	R300 Y301 C332 I333 N339 N340	R300-D336 IonicContact CZ-OD2 3.05Å; R300-D336 IonicContact NE-OD2 3.96Å; R300-D336 PolarHBondContact NE-OD2 3.35Å; R300-D336 IonicContact NH2-OD2 3.58Å; R300-D336 PolarHBondContact NH2-OD2 3.48Å; Y301-D336 HydrophobicContact CE1-CB 3.74Å; Y301-D336 WeakPolarHBondContact CE1-OD2 3.3Å; Y301-D336 PolarHBondContact OH-OD2 2.75Å; C332-D336 PolarHBondContact O-N 2.69Å; C332-D336 VanDerWaalsContact O-N 3.11Å; I333-D336 PolarHBondContact O-N 2.9Å; I333-D336 VanDerWaalsContact O-N 3.16Å; D336-N339 PolarHBondContact O-N 2.86Å; D336-N340 PolarHBondContact O-N 3.03Å; D336-N340 PolarHBondContact O-ND2 3.4Å; D336-N340 PolarHBondContact OD1-ND2 2.89Å
337	L	97.9	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-40.9	176	-64	179.3	0	0	0	112.5	V32 L35 I333 L334 L335 N340 N341 L342 L343 V399 I403	V32-L337 HydrophobicContact CG1-CD1 4.26Å; V32-L337 HydrophobicContact CG1-CD2 4.19Å; V32-L337 HydrophobicContact CG2-CD2 4.31Å; L35-L337 HydrophobicContact CB-CD2 4.47Å; L35-L337 HydrophobicContact CD1-CD2 3.79Å; I333-L337 HydrophobicContact CG2-CD1 4.34Å; I333-L337 HydrophobicContact CG2-CG 4.46Å; I333-L337 WeakPolarHBondContact O-CG 3.32Å; I333-L337 PolarHBondContact O-N 3Å; L334-L337 PolarHBondContact O-N 3.43Å; L335-L337 VanDerWaalsContact C-N 3.31Å; L335-L337 PolarHBondContact O-N 3.25Å; L337-N340 PolarHBondContact O-N 3.28Å; L337-N341 PolarHBondContact O-N 3.21Å; L337-L342 HydrophobicContact CB-CB 4.35Å; L337-L342 HydrophobicContact CD2-CB 4.33Å; L337-L342 HydrophobicContact CD2-CD1 4.13Å; L337-L342 WeakPolarHBondContact O-CA 3.32Å; L337-L342 WeakPolarHBondContact O-CB 3.48Å; L337-L342 PolarHBondContact O-N 2.88Å; L337-L343 HydrophobicContact CB-CB 3.93Å; L337-L343 HydrophobicContact CB-CD2 4.43Å; L337-L343 PolarHBondContact O-N 2.67Å; L337-V399 HydrophobicContact CD1-CG1 3.74Å; L337-I403 HydrophobicContact CD1-CD1 4.24Å; L337-I403 HydrophobicContact CD1-CG1 4.03Å
338	V	97.9	Very high	97.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-49.5	173.8	173.4	0	0	0	0	110.6	L334 L335 N340 N341 L343 F344 G346 A348 L352	L334-V338 WeakPolarHBondContact O-CG2 3.4Å; L334-V338 PolarHBondContact O-N 3.48Å; L335-V338 PolarHBondContact O-N 2.85Å; V338-N340 PolarHBondContact O-N 3.49Å; V338-N340 VanDerWaalsContact O-N 3.14Å; V338-N341 WeakPolarHBondContact O-CA 3.45Å; V338-N341 PolarHBondContact O-N 2.84Å; V338-L343 HydrophobicContact CG2-CB 3.96Å; V338-L343 HydrophobicContact CG2-CD2 4.33Å; V338-L343 HydrophobicContact CG2-CG 4.46Å; V338-F344 HydrophobicContact CG2-CB 4.47Å; V338-F344 HydrophobicContact CG2-CD2 3.59Å; V338-F344 HydrophobicContact CG2-CE2 4.28Å; V338-F344 HydrophobicContact CG2-CG 4.42Å; V338-G346 VanDerWaalsContact CG1-C 3.44Å; V338-G346 WeakPolarHBondContact O-CA 3.47Å; V338-A348 HydrophobicContact CG1-CB 4.07Å; V338-L352 HydrophobicContact CG2-CD2 4.39Å
339	N	97.3	Very high	97	Very high	121 Å²	121	38.3 Å²	38.3	65%	0.647	21%	0.209	S	C	*	.	H	α-helix	trans	-61.4	-26.2	-179.7	-69.8	-23.9	0	0	0	113	L335 D336 N341	L335-N339 WeakPolarHBondContact O-CB 3.48Å; L335-N339 PolarHBondContact O-N 2.98Å; L335-N339 PolarHBondContact O-ND2 3.28Å; D336-N339 PolarHBondContact O-N 2.86Å; N339-N341 VanDerWaalsContact C-N 3.33Å
340	N	97.2	Very high	97	Very high	79 Å²	79	43.6 Å²	43.6	42%	0.422	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.1	174.5	-76.4	-88.4	0	0	0	113.7	L35 D336 L337 V338 L342	L35-N340 HydrophobicContact CD1-CB 4.24Å; D336-N340 PolarHBondContact O-N 3.03Å; D336-N340 PolarHBondContact O-ND2 3.4Å; D336-N340 PolarHBondContact OD1-ND2 2.89Å; L337-N340 PolarHBondContact O-N 3.28Å; V338-N340 PolarHBondContact O-N 3.49Å; V338-N340 VanDerWaalsContact O-N 3.14Å; N340-L342 HydrophobicContact CB-CD1 3.91Å; N340-L342 HydrophobicContact CB-CG 4.02Å; N340-L342 PolarHBondContact O-N 2.89Å
341	N	96	Very high	96.9	Very high	120 Å²	120	46.8 Å²	46.8	64%	0.642	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.1	-173.8	-63.1	-75.8	0	0	0	113.4	L337 V338 N339 G346	L337-N341 PolarHBondContact O-N 3.21Å; V338-N341 WeakPolarHBondContact O-CA 3.45Å; V338-N341 PolarHBondContact O-N 2.84Å; N339-N341 VanDerWaalsContact C-N 3.33Å; N341-G346 WeakPolarHBondContact OD1-CA 3.42Å
342	L	95	Very high	96.8	Very high	12 Å²	12	46 Å²	46	6%	0.063	25%	0.254	C	S	.	.	S	Bend	trans	-106.2	3.4	179.1	-61.3	173.6	0	0	0	112.8	R28 K31 V32 L35 L337 N340	R28-L342 HydrophobicContact CG-CD2 4.18Å; R28-L342 PolarHBondContact NE-O 2.85Å; R28-L342 PolarHBondContact NH2-O 2.83Å; K31-L342 HydrophobicContact CB-CD1 3.94Å; K31-L342 HydrophobicContact CB-CD2 3.73Å; K31-L342 HydrophobicContact CD-CD2 3.95Å; K31-L342 HydrophobicContact CG-CD2 4.5Å; V32-L342 HydrophobicContact CG2-CB 4.05Å; V32-L342 HydrophobicContact CG2-CD1 4.25Å; L35-L342 HydrophobicContact CD1-CD1 3.51Å; L337-L342 HydrophobicContact CB-CB 4.35Å; L337-L342 HydrophobicContact CD2-CB 4.33Å; L337-L342 HydrophobicContact CD2-CD1 4.13Å; L337-L342 WeakPolarHBondContact O-CA 3.32Å; L337-L342 WeakPolarHBondContact O-CB 3.48Å; L337-L342 PolarHBondContact O-N 2.88Å; N340-L342 HydrophobicContact CB-CD1 3.91Å; N340-L342 HydrophobicContact CB-CG 4.02Å; N340-L342 PolarHBondContact O-N 2.89Å
343	L	94.9	Very high	96.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	-153.3	143.1	177.4	-159.2	67.3	0	0	0	110.5	L334 L337 V338 N345 G346 D396 V399 V400	L334-L343 HydrophobicContact CB-CD2 4.18Å; L334-L343 HydrophobicContact CD2-CD2 3.78Å; L334-L343 HydrophobicContact CG-CD2 4.48Å; L337-L343 HydrophobicContact CB-CB 3.93Å; L337-L343 HydrophobicContact CB-CD2 4.43Å; L337-L343 PolarHBondContact O-N 2.67Å; V338-L343 HydrophobicContact CG2-CB 3.96Å; V338-L343 HydrophobicContact CG2-CD2 4.33Å; V338-L343 HydrophobicContact CG2-CG 4.46Å; L343-N345 PolarHBondContact O-N 2.74Å; L343-N345 VanDerWaalsContact O-N 3.08Å; L343-G346 PolarHBondContact O-N 2.74Å; L343-D396 HydrophobicContact CD1-CB 4Å; L343-V399 HydrophobicContact CD1-CB 3.95Å; L343-V399 HydrophobicContact CD1-CG1 3.87Å; L343-V400 HydrophobicContact CD1-CG2 4.3Å; L343-V400 HydrophobicContact CD2-CG2 4.14Å
344	F	96.2	Very high	96.7	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.022	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	51.2	36.3	172.2	-45.9	-43.3	0	0	0	114.5	V338 G346 K347 L352 L384 I389 D396 V400	V338-F344 HydrophobicContact CG2-CB 4.47Å; V338-F344 HydrophobicContact CG2-CD2 3.59Å; V338-F344 HydrophobicContact CG2-CE2 4.28Å; V338-F344 HydrophobicContact CG2-CG 4.42Å; F344-G346 PolarHBondContact O-N 2.79Å; F344-K347 WeakPolarHBondContact CB-O 3.4Å; F344-K347 PolarHBondContact O-N 3.07Å; F344-L352 HydrophobicContact CD2-CD2 4.11Å; F344-L352 HydrophobicContact CE2-CD2 3.81Å; F344-L384 HydrophobicContact CE1-CD1 4.01Å; F344-L384 HydrophobicContact CE1-CD2 4.09Å; F344-L384 HydrophobicContact CE2-CD2 4.41Å; F344-L384 HydrophobicContact CZ-CD1 4.24Å; F344-L384 HydrophobicContact CZ-CD2 3.53Å; F344-L384 HydrophobicContact CZ-CG 4.5Å; F344-I389 HydrophobicContact CB-CG2 4.09Å; F344-I389 HydrophobicContact CD1-CG2 3.46Å; F344-I389 VanDerWaalsContact CD1-CG2 3.46Å; F344-I389 HydrophobicContact CD2-CD1 3.92Å; F344-I389 HydrophobicContact CD2-CG1 4.47Å; F344-I389 HydrophobicContact CD2-CG2 4.09Å; F344-I389 HydrophobicContact CE1-CG2 3.84Å; F344-I389 HydrophobicContact CE2-CD1 4.08Å; F344-I389 HydrophobicContact CE2-CG1 4.32Å; F344-I389 HydrophobicContact CE2-CG2 4.43Å; F344-I389 HydrophobicContact CG-CD1 4.45Å; F344-I389 HydrophobicContact CG-CG2 3.61Å; F344-I389 HydrophobicContact CZ-CG1 4.49Å; F344-I389 HydrophobicContact CZ-CG2 4.32Å; F344-D396 HydrophobicContact CD1-CB 3.9Å; F344-D396 HydrophobicContact CE1-CB 3.72Å; F344-D396 PolarHBondContact N-OD1 3.08Å; F344-V400 HydrophobicContact CE1-CG2 4.31Å; F344-V400 HydrophobicContact CZ-CG2 3.77Å
345	N	93.6	Very high	96.6	Very high	120 Å²	120	55.2 Å²	55.2	64%	0.642	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	51.3	32.6	-177.5	-58.1	-48.4	0	0	0	113.9	L343 K347	L343-N345 PolarHBondContact O-N 2.74Å; L343-N345 VanDerWaalsContact O-N 3.08Å; N345-K347 VanDerWaalsContact C-N 3.32Å; N345-K347 PolarHBondContact O-N 3.36Å
346	G	95.9	Very high	96.3	Very high	27 Å²	27	56.4 Å²	56.4	28%	0.278	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	76.9	12.5	179	0	0	0	0	0	115.1	V338 N341 L343 F344	V338-G346 VanDerWaalsContact CG1-C 3.44Å; V338-G346 WeakPolarHBondContact O-CA 3.47Å; N341-G346 WeakPolarHBondContact OD1-CA 3.42Å; L343-G346 PolarHBondContact O-N 2.74Å; F344-G346 PolarHBondContact O-N 2.79Å
347	K	96.4	Very high	96.2	Very high	163 Å²	163	59 Å²	59	71%	0.709	34%	0.343	S	S	*	.			trans	-116.8	116.2	-178.3	-62.7	-179	-177.7	179	0	111.4	F344 N345	F344-K347 WeakPolarHBondContact CB-O 3.4Å; F344-K347 PolarHBondContact O-N 3.07Å; N345-K347 VanDerWaalsContact C-N 3.32Å; N345-K347 PolarHBondContact O-N 3.36Å
348	A	95.2	Very high	96.2	Very high	40 Å²	40	59.1 Å²	59.1	33%	0.331	34%	0.344	S	S	.	.			trans	-89.2	146	169.5	0	0	0	0	0	110	L335 V338 L352	L335-A348 HydrophobicContact CD2-CB 3.76Å; V338-A348 HydrophobicContact CG1-CB 4.07Å; A348-L352 HydrophobicContact CB-CD2 4.27Å
349	S	96.8	Very high	96.1	Very high	17 Å²	17	61 Å²	61	12%	0.119	36%	0.357	C	S	.	.			trans	-75.9	164.5	166.3	67.2	0	0	0	0	111.5	E351 L352 S353 L387 G388	S349-E351 VanDerWaalsContact C-N 3.27Å; S349-E351 PolarHBondContact O-N 3.25Å; S349-L352 PolarHBondContact O-N 3.11Å; S349-L352 WeakPolarHBondContact OG-CB 3.12Å; S349-L352 PolarHBondContact OG-N 3.23Å; S349-S353 WeakPolarHBondContact O-CB 3.41Å; S349-S353 PolarHBondContact O-N 2.82Å; S349-S353 PolarHBondContact O-OG 3.02Å; S349-L387 WeakPolarHBondContact CB-O 3.35Å; S349-L387 PolarHBondContact OG-O 3.41Å; S349-G388 WeakPolarHBondContact CB-O 2.99Å
350	T	97.3	Very high	96.1	Very high	114 Å²	114	56.1 Å²	56.1	70%	0.699	33%	0.332	S	S	*	.	H	α-helix	trans	-58.5	-41.3	172.1	-53.7	0	0	0	0	111.5	S353 T354	T350-S353 PolarHBondContact O-N 3.48Å; T350-T354 PolarHBondContact O-N 2.92Å; T350-T354 VanDerWaalsContact O-N 3.15Å; T350-T354 PolarHBondContact O-OG1 3.38Å
351	E	97.2	Very high	96.1	Very high	68 Å²	68	58.8 Å²	58.8	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-47.1	-179.9	-67.2	-64.1	146.9	0	0	111.4	S349 S353 T354 K357 L387	S349-E351 VanDerWaalsContact C-N 3.27Å; S349-E351 PolarHBondContact O-N 3.25Å; E351-S353 PolarHBondContact O-N 2.93Å; E351-T354 WeakPolarHBondContact O-CB 3.2Å; E351-T354 PolarHBondContact O-N 2.87Å; E351-K357 VanDerWaalsContact O-CB 3.28Å; E351-K357 WeakPolarHBondContact O-CB 3.44Å; E351-K357 IonicContact OE1-NZ 3.16Å; E351-K357 PolarHBondContact OE1-NZ 3.31Å; E351-K357 WeakPolarHBondContact OE2-CD 3.34Å; E351-K357 WeakPolarHBondContact OE2-CE 3.2Å; E351-K357 VanDerWaalsContact OE2-CG 3.32Å; E351-K357 WeakPolarHBondContact OE2-CG 3.36Å; E351-K357 IonicContact OE2-NZ 3.55Å; E351-K357 PolarHBondContact OE2-NZ 3.18Å; E351-L387 HydrophobicContact CB-CD2 4.04Å
352	L	97.5	Very high	96.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-34.5	176.3	-176.3	65.5	0	0	0	112	R331 L334 L335 V338 F344 A348 S349 T354 I389	R331-L352 WeakPolarHBondContact CD-O 3.45Å; R331-L352 HydrophobicContact CG-CD1 4.1Å; R331-L352 WeakPolarHBondContact CG-O 3.36Å; R331-L352 PolarHBondContact NH1-O 2.69Å; L334-L352 HydrophobicContact CB-CD1 4.27Å; L334-L352 HydrophobicContact CD1-CD1 4.13Å; L335-L352 HydrophobicContact CD2-CD2 4.17Å; L335-L352 HydrophobicContact CD2-CG 3.95Å; L335-L352 HydrophobicContact CG-CG 4.44Å; V338-L352 HydrophobicContact CG2-CD2 4.39Å; F344-L352 HydrophobicContact CD2-CD2 4.11Å; F344-L352 HydrophobicContact CE2-CD2 3.81Å; A348-L352 HydrophobicContact CB-CD2 4.27Å; S349-L352 PolarHBondContact O-N 3.11Å; S349-L352 WeakPolarHBondContact OG-CB 3.12Å; S349-L352 PolarHBondContact OG-N 3.23Å; L352-T354 PolarHBondContact O-N 2.75Å; L352-I389 HydrophobicContact CB-CD1 4.33Å; L352-I389 HydrophobicContact CD2-CD1 4.02Å
353	S	97.3	Very high	96.3	Very high	57 Å²	57	54.4 Å²	54.4	40%	0.399	32%	0.315	S	S	.	.	H	α-helix	trans	-71.3	-17.4	177.6	-57.6	0	0	0	0	113.2	R331 S349 T350 E351	R331-S353 PolarHBondContact NH1-O 3Å; S349-S353 WeakPolarHBondContact O-CB 3.41Å; S349-S353 PolarHBondContact O-N 2.82Å; S349-S353 PolarHBondContact O-OG 3.02Å; T350-S353 PolarHBondContact O-N 3.48Å; E351-S353 PolarHBondContact O-N 2.93Å
354	T	97.1	Very high	96.4	Very high	53 Å²	53	55 Å²	55	33%	0.325	32%	0.318	S	S	.	.	S	Bend	trans	-91.2	123.9	-175.7	-59.3	0	0	0	0	111.7	R331 T350 E351 L352 G356 K357	R331-T354 WeakPolarHBondContact CD-O 3.47Å; T350-T354 PolarHBondContact O-N 2.92Å; T350-T354 VanDerWaalsContact O-N 3.15Å; T350-T354 PolarHBondContact O-OG1 3.38Å; E351-T354 WeakPolarHBondContact O-CB 3.2Å; E351-T354 PolarHBondContact O-N 2.87Å; L352-T354 PolarHBondContact O-N 2.75Å; T354-G356 PolarHBondContact O-N 3.19Å; T354-K357 HydrophobicContact CG2-CG 3.76Å; T354-K357 PolarHBondContact O-N 3.3Å
355	P	94.9	Very high	96.4	Very high	90 Å²	90	57.4 Å²	57.4	58%	0.584	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	138.1	175.6	-28	35.7	0	0	0	113.7	K357	P355-K357 VanDerWaalsContact C-N 3.26Å; P355-K357 PolarHBondContact O-N 3.36Å
356	G	92.6	Very high	96.5	Very high	56 Å²	56	51.7 Å²	51.7	58%	0.577	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-4.9	176.7	0	0	0	0	0	116.1	E328 T354 F358	E328-G356 PolarHBondContact OE2-N 3.03Å; T354-G356 PolarHBondContact O-N 3.19Å; G356-F358 VanDerWaalsContact C-N 3.35Å
357	K	96.7	Very high	96.4	Very high	92 Å²	92	50.4 Å²	50.4	40%	0.4	29%	0.286	S	S	.	.			trans	-75.8	-21.2	177.2	-70	-60.7	-168.3	119.2	0	113.9	E351 T354 P355 H362	E351-K357 VanDerWaalsContact O-CB 3.28Å; E351-K357 WeakPolarHBondContact O-CB 3.44Å; E351-K357 IonicContact OE1-NZ 3.16Å; E351-K357 PolarHBondContact OE1-NZ 3.31Å; E351-K357 WeakPolarHBondContact OE2-CD 3.34Å; E351-K357 WeakPolarHBondContact OE2-CE 3.2Å; E351-K357 VanDerWaalsContact OE2-CG 3.32Å; E351-K357 WeakPolarHBondContact OE2-CG 3.36Å; E351-K357 IonicContact OE2-NZ 3.55Å; E351-K357 PolarHBondContact OE2-NZ 3.18Å; T354-K357 HydrophobicContact CG2-CG 3.76Å; T354-K357 PolarHBondContact O-N 3.3Å; P355-K357 VanDerWaalsContact C-N 3.26Å; P355-K357 PolarHBondContact O-N 3.36Å; K357-H362 PolarHBondContact O-CE1 3.31Å
358	F	97.6	Very high	96.1	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.013	27%	0.271	C	S	.	.	S	Bend	trans	-96.4	105.7	168.8	-158.2	-78.1	0	0	0	109.8	G327 V330 R331 L334 G356 H362 V363 I366 L387	G327-F358 CarbonylContact C-O 3.51Å; G327-F358 WeakPolarHBondContact CA-O 3.49Å; V330-F358 HydrophobicContact CB-CD1 4.15Å; V330-F358 HydrophobicContact CB-CE1 4Å; V330-F358 HydrophobicContact CG1-CD1 3.95Å; V330-F358 HydrophobicContact CG1-CE1 3.47Å; V330-F358 VanDerWaalsContact CG1-CE1 3.47Å; V330-F358 HydrophobicContact CG1-CZ 3.79Å; R331-F358 HydrophobicContact CB-CB 3.85Å; R331-F358 HydrophobicContact CG-CB 3.99Å; L334-F358 HydrophobicContact CD1-CD2 4.24Å; L334-F358 HydrophobicContact CD1-CE2 3.88Å; L334-F358 HydrophobicContact CD1-CZ 4.33Å; G356-F358 VanDerWaalsContact C-N 3.35Å; F358-H362 HydrophobicContact CD1-CB 4.21Å; F358-H362 HydrophobicContact CE1-CB 3.85Å; F358-H362 HydrophobicContact CE2-CB 4.42Å; F358-H362 HydrophobicContact CZ-CB 3.98Å; F358-V363 HydrophobicContact CD1-CG2 4.35Å; F358-V363 HydrophobicContact CE1-CG2 3.79Å; F358-I366 HydrophobicContact CE1-CD1 4.48Å; F358-I366 HydrophobicContact CE2-CD1 4.28Å; F358-I366 HydrophobicContact CZ-CD1 3.57Å; F358-L387 HydrophobicContact CD2-CD1 3.67Å; F358-L387 HydrophobicContact CE2-CD1 3.96Å
359	S	96.5	Very high	95.8	Very high	41 Å²	41	44.4 Å²	44.4	29%	0.287	26%	0.256	S	S	.	.			trans	-95.6	164.6	-172	72.7	0	0	0	0	113	K361 H362 V363	S359-K361 PolarHBondContact O-N 3.5Å; S359-K361 WeakPolarHBondContact OG-CB 3.35Å; S359-K361 PolarHBondContact OG-N 2.89Å; S359-H362 PolarHBondContact N-ND1 3.11Å; S359-H362 WeakPolarHBondContact O-CB 3.44Å; S359-H362 PolarHBondContact O-N 2.85Å; S359-H362 PolarHBondContact OG-N 3.05Å; S359-V363 PolarHBondContact O-N 3.25Å
360	T	96.4	Very high	95.2	Very high	19 Å²	19	46.3 Å²	46.3	12%	0.117	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-22.1	170.2	-65.9	0	0	0	0	113.3	G323 M326 V363 S364 V439	G323-T360 WeakPolarHBondContact CA-OG1 3.18Å; G323-T360 PolarHBondContact O-OG1 3.46Å; M326-T360 HydrophobicContact SD-CG2 3.91Å; T360-V363 PolarHBondContact O-N 3.47Å; T360-S364 PolarHBondContact O-N 2.93Å; T360-S364 PolarHBondContact O-OG 3.31Å; T360-V439 HydrophobicContact CG2-CG2 4.13Å
361	K	97	Very high	94	Very high	134 Å²	134	46.9 Å²	46.9	58%	0.583	26%	0.259	S	S	*	.	H	α-helix	trans	-61.9	-47.1	170.5	-178.3	-175.5	166	-172.2	0	109.9	S359 V363 S364 E365	S359-K361 PolarHBondContact O-N 3.5Å; S359-K361 WeakPolarHBondContact OG-CB 3.35Å; S359-K361 PolarHBondContact OG-N 2.89Å; K361-V363 VanDerWaalsContact C-N 3.33Å; K361-V363 PolarHBondContact O-N 3.1Å; K361-S364 WeakPolarHBondContact O-CB 3.45Å; K361-S364 PolarHBondContact O-N 2.79Å; K361-S364 VanDerWaalsContact O-N 3.1Å; K361-E365 VanDerWaalsContact CE-CD 3.43Å; K361-E365 WeakPolarHBondContact CE-OE1 3.29Å; K361-E365 HydrophobicContact CG-CG 4.42Å; K361-E365 IonicContact NZ-OE1 3.27Å; K361-E365 WeakPolarHBondContact O-CG 3.21Å; K361-E365 PolarHBondContact O-N 3.07Å
362	H	98.1	Very high	92.5	Very high	41 Å²	41	53.4 Å²	53.4	19%	0.19	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-43.6	176.2	-56.1	161	0	0	0	111.6	K357 F358 S359 S364 E365 I366 I383	K357-H362 PolarHBondContact O-CE1 3.31Å; F358-H362 HydrophobicContact CD1-CB 4.21Å; F358-H362 HydrophobicContact CE1-CB 3.85Å; F358-H362 HydrophobicContact CE2-CB 4.42Å; F358-H362 HydrophobicContact CZ-CB 3.98Å; S359-H362 PolarHBondContact N-ND1 3.11Å; S359-H362 WeakPolarHBondContact O-CB 3.44Å; S359-H362 PolarHBondContact O-N 2.85Å; S359-H362 PolarHBondContact OG-N 3.05Å; H362-S364 VanDerWaalsContact C-N 3.29Å; H362-S364 PolarHBondContact O-N 3.29Å; H362-E365 PolarHBondContact O-N 3.15Å; H362-I366 HydrophobicContact CB-CD1 4.5Å; H362-I366 VanDerWaalsContact O-CB 3.28Å; H362-I366 WeakPolarHBondContact O-CB 3.24Å; H362-I366 WeakPolarHBondContact O-CD1 3.38Å; H362-I366 WeakPolarHBondContact O-CG1 3.33Å; H362-I366 PolarHBondContact O-N 3.32Å; H362-I383 HydrophobicContact CB-CD1 4.31Å; H362-I383 HydrophobicContact CB-CG2 4.04Å
363	V	98	Very high	90.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-56.7	-45.3	175.8	-179	0	0	0	0	111	M326 V330 F358 S359 T360 K361 E367 C404	M326-V363 HydrophobicContact CG-CG1 4.34Å; M326-V363 HydrophobicContact CG-CG2 4.35Å; M326-V363 HydrophobicContact SD-CB 4.39Å; M326-V363 HydrophobicContact SD-CG1 3.89Å; V330-V363 HydrophobicContact CB-CG2 4.49Å; V330-V363 HydrophobicContact CG2-CG2 3.96Å; F358-V363 HydrophobicContact CD1-CG2 4.35Å; F358-V363 HydrophobicContact CE1-CG2 3.79Å; S359-V363 PolarHBondContact O-N 3.25Å; T360-V363 PolarHBondContact O-N 3.47Å; K361-V363 VanDerWaalsContact C-N 3.33Å; K361-V363 PolarHBondContact O-N 3.1Å; V363-E367 PolarHBondContact O-N 3.35Å; V363-C404 HydrophobicContact CG1-CB 4Å
364	S	96.6	Very high	89.2	Confident	13 Å²	13	61.7 Å²	61.7	9%	0.091	34%	0.344	C	S	.	.	H	α-helix	trans	-67.3	-43.6	-178.6	-54.5	0	0	0	0	111.9	T360 K361 H362 E367 L368 H443	T360-S364 PolarHBondContact O-N 2.93Å; T360-S364 PolarHBondContact O-OG 3.31Å; K361-S364 WeakPolarHBondContact O-CB 3.45Å; K361-S364 PolarHBondContact O-N 2.79Å; K361-S364 VanDerWaalsContact O-N 3.1Å; H362-S364 VanDerWaalsContact C-N 3.29Å; H362-S364 PolarHBondContact O-N 3.29Å; S364-E367 PolarHBondContact O-N 2.96Å; S364-L368 PolarHBondContact O-N 2.88Å; S364-H443 PolarHBondContact OG-CD2 3.16Å
365	E	96.3	Very high	88	Confident	56 Å²	56	61.9 Å²	61.9	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-42.3	179.7	-73.4	173.3	157	0	0	112.1	K361 H362 E367 L368 N379 I383	K361-E365 VanDerWaalsContact CE-CD 3.43Å; K361-E365 WeakPolarHBondContact CE-OE1 3.29Å; K361-E365 HydrophobicContact CG-CG 4.42Å; K361-E365 IonicContact NZ-OE1 3.27Å; K361-E365 WeakPolarHBondContact O-CG 3.21Å; K361-E365 PolarHBondContact O-N 3.07Å; H362-E365 PolarHBondContact O-N 3.15Å; E365-E367 PolarHBondContact O-N 3.47Å; E365-L368 VanDerWaalsContact O-CB 3.32Å; E365-L368 WeakPolarHBondContact O-CB 3.34Å; E365-L368 PolarHBondContact O-N 2.99Å; E365-L368 VanDerWaalsContact O-N 3.08Å; E365-N379 WeakPolarHBondContact O-CB 3.48Å; E365-I383 HydrophobicContact CB-CD1 3.76Å
366	I	95.6	Very high	87.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.3	-38.4	174.5	-75.9	164.4	0	0	0	111.3	F358 H362 L368 D369 T380 I383 V400 S401 C404	F358-I366 HydrophobicContact CE1-CD1 4.48Å; F358-I366 HydrophobicContact CE2-CD1 4.28Å; F358-I366 HydrophobicContact CZ-CD1 3.57Å; H362-I366 HydrophobicContact CB-CD1 4.5Å; H362-I366 VanDerWaalsContact O-CB 3.28Å; H362-I366 WeakPolarHBondContact O-CB 3.24Å; H362-I366 WeakPolarHBondContact O-CD1 3.38Å; H362-I366 WeakPolarHBondContact O-CG1 3.33Å; H362-I366 PolarHBondContact O-N 3.32Å; I366-L368 VanDerWaalsContact C-N 3.27Å; I366-L368 PolarHBondContact O-N 3.46Å; I366-D369 WeakPolarHBondContact O-CB 3.48Å; I366-D369 PolarHBondContact O-N 3.08Å; I366-T380 HydrophobicContact CG1-CG2 4.41Å; I366-I383 HydrophobicContact CD1-CD1 4.27Å; I366-I383 HydrophobicContact CD1-CG2 4.35Å; I366-I383 HydrophobicContact CG1-CD1 3.77Å; I366-V400 HydrophobicContact CD1-CG1 3.91Å; I366-S401 VanDerWaalsContact CG2-CA 3.41Å; I366-C404 HydrophobicContact CB-CB 4.47Å; I366-C404 HydrophobicContact CG2-CB 3.87Å
367	E	93.1	Very high	87.1	Confident	1 Å²	1	60 Å²	60	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-73.4	-15.4	178.2	-80.6	-151	-132.7	0	0	114.8	V363 S364 E365 D369 L370 C404 A405 S408 H443 P444 N445 R449	V363-E367 PolarHBondContact O-N 3.35Å; S364-E367 PolarHBondContact O-N 2.96Å; E365-E367 PolarHBondContact O-N 3.47Å; E367-D369 PolarHBondContact O-N 3.41Å; E367-L370 HydrophobicContact CG-CD1 4.25Å; E367-L370 PolarHBondContact O-N 3.31Å; E367-C404 HydrophobicContact CG-CB 4.45Å; E367-A405 HydrophobicContact CG-CB 4.39Å; E367-A405 VanDerWaalsContact OE1-CA 3.3Å; E367-A405 WeakPolarHBondContact OE1-CA 3.13Å; E367-S408 WeakPolarHBondContact OE1-CB 3.39Å; E367-S408 PolarHBondContact OE1-OG 3.32Å; E367-H443 IonicContact OE1-CE1 3.45Å; E367-H443 PolarHBondContact OE1-CE1 3.28Å; E367-H443 IonicContact OE1-NE2 2.66Å; E367-H443 PolarHBondContact OE1-NE2 3.21Å; E367-H443 IonicContact OE2-CE1 2.77Å; E367-P444 HydrophobicContact CB-CG 3.84Å; E367-N445 PolarHBondContact OE2-ND2 3.01Å; E367-R449 VanDerWaalsContact CD-NH1 3.29Å; E367-R449 IonicContact OE1-CZ 2.7Å; E367-R449 IonicContact OE1-NH1 2.79Å; E367-R449 PolarHBondContact OE1-NH1 3.49Å; E367-R449 IonicContact OE2-CZ 3.52Å; E367-R449 IonicContact OE2-NH1 3.39Å; E367-R449 PolarHBondContact OE2-NH1 3.3Å; E367-R449 IonicContact OE2-NH2 2.7Å; E367-R449 PolarHBondContact OE2-NH2 2.82Å
368	L	91.3	Very high	86.9	Confident	75 Å²	75	59.1 Å²	59.1	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-23.5	169.8	-66.4	170	0	0	0	111.7	S364 E365 I366 L370 Q371 P444	S364-L368 PolarHBondContact O-N 2.88Å; E365-L368 VanDerWaalsContact O-CB 3.32Å; E365-L368 WeakPolarHBondContact O-CB 3.34Å; E365-L368 PolarHBondContact O-N 2.99Å; E365-L368 VanDerWaalsContact O-N 3.08Å; I366-L368 VanDerWaalsContact C-N 3.27Å; I366-L368 PolarHBondContact O-N 3.46Å; L368-L370 PolarHBondContact O-N 3.47Å; L368-Q371 WeakPolarHBondContact O-CG 3.48Å; L368-Q371 PolarHBondContact O-NE2 2.79Å; L368-P444 HydrophobicContact CD2-CB 3.79Å; L368-P444 HydrophobicContact CD2-CG 3.98Å; L368-P444 HydrophobicContact CG-CG 4.31Å
369	D	88.7	Confident	86.8	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.011	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.8	175.3	-64.5	-21.9	0	0	0	112.8	I366 E367 Q371 C375 F377 S378 N379 T380	I366-D369 WeakPolarHBondContact O-CB 3.48Å; I366-D369 PolarHBondContact O-N 3.08Å; E367-D369 PolarHBondContact O-N 3.41Å; D369-Q371 PolarHBondContact O-N 3.01Å; D369-C375 WeakPolarHBondContact O-CA 3.49Å; D369-F377 VanDerWaalsContact OD2-CA 3.27Å; D369-F377 WeakPolarHBondContact OD2-CA 3.39Å; D369-S378 PolarHBondContact OD2-N 3.02Å; D369-N379 WeakPolarHBondContact OD1-CB 3.04Å; D369-N379 PolarHBondContact OD1-N 3.28Å; D369-N379 PolarHBondContact OD1-ND2 3.48Å; D369-N379 PolarHBondContact OD2-N 2.93Å; D369-T380 WeakPolarHBondContact OD2-CB 3.18Å; D369-T380 PolarHBondContact OD2-N 3.02Å; D369-T380 PolarHBondContact OD2-OG1 3.25Å
370	L	82.8	Confident	86.8	Confident	56 Å²	56	60.2 Å²	60.2	29%	0.293	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	26.8	-171.3	-61	179.2	0	0	0	113.9	E367 L368 F377 A405	E367-L370 HydrophobicContact CG-CD1 4.25Å; E367-L370 PolarHBondContact O-N 3.31Å; L368-L370 PolarHBondContact O-N 3.47Å; L370-F377 HydrophobicContact CD2-CE1 4.43Å; L370-A405 HydrophobicContact CD1-CB 3.77Å
371	Q	73.3	Confident	86.7	Confident	127 Å²	127	64.4 Å²	64.4	59%	0.593	34%	0.34	S	S	*	.			trans	-72.6	151	179.9	-68.1	-177.5	34.9	0	0	112.4	L368 D369 G373 Q374	L368-Q371 WeakPolarHBondContact O-CG 3.48Å; L368-Q371 PolarHBondContact O-NE2 2.79Å; D369-Q371 PolarHBondContact O-N 3.01Å; Q371-G373 PolarHBondContact O-N 3.31Å; Q371-Q374 PolarHBondContact O-N 3.4Å
372	E	64.4	Low	86.8	Confident	204 Å²	204	59.2 Å²	59.2	95%	0.953	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	125.1	-176.3	-73	-174.1	168.5	0	0	111.6
373	G	62.2	Low	86.7	Confident	81 Å²	81	57.9 Å²	57.9	84%	0.835	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-14.2	172.5	0	0	0	0	0	116.1	Q371	Q371-G373 PolarHBondContact O-N 3.31Å
374	Q	63.2	Low	86.7	Confident	151 Å²	151	57.9 Å²	57.9	71%	0.706	32%	0.319	S	S	*	.			trans	-149.9	99.8	176.9	-70	-174.6	-16.4	0	0	112.2	Q371	Q371-Q374 PolarHBondContact O-N 3.4Å
375	C	71.8	Confident	86.8	Confident	57 Å²	57	62.7 Å²	62.7	39%	0.385	34%	0.34	S	S	.	.			trans	-87.4	106.3	163.9	-83	0	0	0	0	109.6	D369 F377	D369-C375 WeakPolarHBondContact O-CA 3.49Å; C375-F377 HydrophobicContact CB-CE1 4.5Å; C375-F377 HydrophobicContact CB-CZ 4.35Å
376	N	80.1	Confident	86.8	Confident	91 Å²	91	66.7 Å²	66.7	49%	0.487	36%	0.363	S	S	.	.			trans	-107.7	-2.4	-178.4	68.5	42.2	0	0	0	114.8	S378	N376-S378 PolarHBondContact O-N 2.96Å; N376-S378 PolarHBondContact O-OG 2.98Å; N376-S378 PolarHBondContact OD1-N 3.41Å; N376-S378 PolarHBondContact OD1-OG 3.47Å
377	F	90.1	Very high	86.9	Confident	16 Å²	16	67.1 Å²	67.1	7%	0.07	37%	0.365	C	S	.	.			trans	46.4	19.8	175.4	-60.8	-47.8	0	0	0	116.3	D369 L370 C375 T380 Y381 V394 C397 A398 S401	D369-F377 VanDerWaalsContact OD2-CA 3.27Å; D369-F377 WeakPolarHBondContact OD2-CA 3.39Å; L370-F377 HydrophobicContact CD2-CE1 4.43Å; C375-F377 HydrophobicContact CB-CE1 4.5Å; C375-F377 HydrophobicContact CB-CZ 4.35Å; F377-T380 PolarHBondContact O-N 2.88Å; F377-Y381 WeakPolarHBondContact O-CB 3.31Å; F377-Y381 PolarHBondContact O-N 2.98Å; F377-V394 HydrophobicContact CD2-CG1 4.02Å; F377-V394 HydrophobicContact CE2-CG1 3.97Å; F377-C397 HydrophobicContact CB-CB 3.72Å; F377-C397 HydrophobicContact CD1-CB 4Å; F377-C397 HydrophobicContact CD2-CB 4Å; F377-C397 HydrophobicContact CG-CB 3.65Å; F377-A398 HydrophobicContact CE1-CB 4.31Å; F377-A398 HydrophobicContact CE2-CB 4.03Å; F377-A398 HydrophobicContact CZ-CB 3.59Å; F377-S401 WeakPolarHBondContact CD1-OG 3.32Å
378	S	92.8	Very high	87.1	Confident	73 Å²	73	69.3 Å²	69.3	51%	0.51	39%	0.388	S	S	.	.	H	α-helix	trans	-70.8	-45.6	-169.4	-51.1	0	0	0	0	110.8	D369 N376 T380 Y381 G382	D369-S378 PolarHBondContact OD2-N 3.02Å; N376-S378 PolarHBondContact O-N 2.96Å; N376-S378 PolarHBondContact O-OG 2.98Å; N376-S378 PolarHBondContact OD1-N 3.41Å; N376-S378 PolarHBondContact OD1-OG 3.47Å; S378-T380 VanDerWaalsContact C-N 3.32Å; S378-Y381 PolarHBondContact O-N 2.97Å; S378-G382 PolarHBondContact O-N 3.5Å; S378-G382 VanDerWaalsContact O-N 3.11Å
379	N	94.7	Very high	87.3	Confident	67 Å²	67	66.2 Å²	66.2	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-65.9	-41.4	175.9	-62.1	-60.6	0	0	0	110.4	E365 D369 Y381 G382 I383	E365-N379 WeakPolarHBondContact O-CB 3.48Å; D369-N379 WeakPolarHBondContact OD1-CB 3.04Å; D369-N379 PolarHBondContact OD1-N 3.28Å; D369-N379 PolarHBondContact OD1-ND2 3.48Å; D369-N379 PolarHBondContact OD2-N 2.93Å; N379-Y381 PolarHBondContact O-N 3.17Å; N379-G382 PolarHBondContact O-N 2.73Å; N379-I383 WeakPolarHBondContact O-CB 3.36Å; N379-I383 WeakPolarHBondContact O-CD1 3.3Å; N379-I383 VanDerWaalsContact O-CG1 3.29Å; N379-I383 WeakPolarHBondContact O-CG1 3.43Å; N379-I383 PolarHBondContact O-N 3.04Å
380	T	95.7	Very high	87.5	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-58.9	-46.8	178.2	-52.5	0	0	0	0	111.3	I366 D369 F377 S378 L384 C397 V400 S401	I366-T380 HydrophobicContact CG1-CG2 4.41Å; D369-T380 WeakPolarHBondContact OD2-CB 3.18Å; D369-T380 PolarHBondContact OD2-N 3.02Å; D369-T380 PolarHBondContact OD2-OG1 3.25Å; F377-T380 PolarHBondContact O-N 2.88Å; S378-T380 VanDerWaalsContact C-N 3.32Å; T380-L384 HydrophobicContact CG2-CD1 4.01Å; T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 WeakPolarHBondContact O-CG 3.46Å; T380-L384 PolarHBondContact O-N 3.37Å; T380-L384 VanDerWaalsContact O-N 3.08Å; T380-C397 HydrophobicContact CG2-CB 3.81Å; T380-V400 HydrophobicContact CG2-CB 4.1Å; T380-V400 HydrophobicContact CG2-CG1 3.95Å; T380-S401 PolarHBondContact OG1-OG 3.35Å
381	Y	95.9	Very high	88	Confident	107 Å²	107	74.5 Å²	74.5	42%	0.42	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-49.9	177.9	-170.3	-81.9	0	0	0	111.6	F377 S378 N379 I383 L384 E385 I392	F377-Y381 WeakPolarHBondContact O-CB 3.31Å; F377-Y381 PolarHBondContact O-N 2.98Å; S378-Y381 PolarHBondContact O-N 2.97Å; N379-Y381 PolarHBondContact O-N 3.17Å; Y381-I383 PolarHBondContact O-N 3.42Å; Y381-L384 PolarHBondContact O-N 3.03Å; Y381-E385 PolarHBondContact O-N 3.22Å; Y381-I392 HydrophobicContact CD2-CB 4.11Å; Y381-I392 HydrophobicContact CD2-CD1 4.44Å; Y381-I392 HydrophobicContact CD2-CG2 3.79Å; Y381-I392 HydrophobicContact CE2-CB 3.79Å; Y381-I392 HydrophobicContact CE2-CD1 4.27Å; Y381-I392 HydrophobicContact CE2-CG2 4Å
382	G	97.2	Very high	89	Confident	25 Å²	25	69.4 Å²	69.4	26%	0.258	40%	0.401	S	S	.	.	H	α-helix	trans	-59.8	-43.1	-179.8	0	0	0	0	0	113.1	S378 N379 L384 E385 D386	S378-G382 PolarHBondContact O-N 3.5Å; S378-G382 VanDerWaalsContact O-N 3.11Å; N379-G382 PolarHBondContact O-N 2.73Å; G382-L384 VanDerWaalsContact C-N 3.34Å; G382-L384 PolarHBondContact O-N 3.11Å; G382-E385 PolarHBondContact O-N 3.37Å; G382-D386 WeakPolarHBondContact O-CB 3.44Å; G382-D386 PolarHBondContact O-N 3.35Å
383	I	97.9	Very high	90.3	Very high	13 Å²	13	62.3 Å²	62.3	7%	0.067	37%	0.372	C	S	.	.	H	α-helix	trans	-64.3	-39.4	177	-71.1	162.7	0	0	0	111.5	H362 E365 I366 N379 Y381 D386 L387	H362-I383 HydrophobicContact CB-CD1 4.31Å; H362-I383 HydrophobicContact CB-CG2 4.04Å; E365-I383 HydrophobicContact CB-CD1 3.76Å; I366-I383 HydrophobicContact CD1-CD1 4.27Å; I366-I383 HydrophobicContact CD1-CG2 4.35Å; I366-I383 HydrophobicContact CG1-CD1 3.77Å; N379-I383 WeakPolarHBondContact O-CB 3.36Å; N379-I383 WeakPolarHBondContact O-CD1 3.3Å; N379-I383 VanDerWaalsContact O-CG1 3.29Å; N379-I383 WeakPolarHBondContact O-CG1 3.43Å; N379-I383 PolarHBondContact O-N 3.04Å; Y381-I383 PolarHBondContact O-N 3.42Å; I383-D386 PolarHBondContact O-N 3.44Å; I383-L387 HydrophobicContact CG2-CD1 4.07Å; I383-L387 WeakPolarHBondContact O-CB 3.31Å; I383-L387 VanDerWaalsContact O-CG 3.23Å; I383-L387 WeakPolarHBondContact O-CG 3.01Å; I383-L387 PolarHBondContact O-N 3.49Å
384	L	98	Very high	91.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.9	-37.4	177.9	-69.7	174	0	0	0	111.8	F344 T380 Y381 G382 L387 G388 I389 I392 V400	F344-L384 HydrophobicContact CE1-CD1 4.01Å; F344-L384 HydrophobicContact CE1-CD2 4.09Å; F344-L384 HydrophobicContact CE2-CD2 4.41Å; F344-L384 HydrophobicContact CZ-CD1 4.24Å; F344-L384 HydrophobicContact CZ-CD2 3.53Å; F344-L384 HydrophobicContact CZ-CG 4.5Å; T380-L384 HydrophobicContact CG2-CD1 4.01Å; T380-L384 WeakPolarHBondContact O-CB 3.41Å; T380-L384 WeakPolarHBondContact O-CG 3.46Å; T380-L384 PolarHBondContact O-N 3.37Å; T380-L384 VanDerWaalsContact O-N 3.08Å; Y381-L384 PolarHBondContact O-N 3.03Å; G382-L384 VanDerWaalsContact C-N 3.34Å; G382-L384 PolarHBondContact O-N 3.11Å; L384-L387 PolarHBondContact O-N 3.26Å; L384-G388 PolarHBondContact O-N 3.09Å; L384-I389 HydrophobicContact CB-CB 4.39Å; L384-I389 HydrophobicContact CD2-CG1 4.35Å; L384-I389 VanDerWaalsContact O-CB 3.31Å; L384-I389 WeakPolarHBondContact O-CB 3.34Å; L384-I389 WeakPolarHBondContact O-CG1 3.5Å; L384-I389 PolarHBondContact O-N 3.38Å; L384-I392 HydrophobicContact CB-CD1 3.52Å; L384-I392 HydrophobicContact CB-CG1 4.08Å; L384-I392 HydrophobicContact CD1-CG2 3.85Å; L384-V400 HydrophobicContact CD1-CG2 4.19Å; L384-V400 HydrophobicContact CD2-CG1 4.45Å; L384-V400 HydrophobicContact CD2-CG2 4.2Å
385	E	97.2	Very high	92.9	Very high	115 Å²	115	56 Å²	56	54%	0.537	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-45.1	173.4	-175.4	173	-121	0	0	111.3	Y381 G382 L387 G388 I392	Y381-E385 PolarHBondContact O-N 3.22Å; G382-E385 PolarHBondContact O-N 3.37Å; E385-L387 PolarHBondContact O-N 2.89Å; E385-G388 WeakPolarHBondContact O-CA 3.47Å; E385-G388 PolarHBondContact O-N 3.4Å; E385-I392 HydrophobicContact CB-CD1 4.32Å
386	D	96.9	Very high	93.9	Very high	139 Å²	139	53.3 Å²	53.3	74%	0.743	31%	0.309	S	S	*	.	H	α-helix	trans	-62.2	-31.4	175.4	-77.1	-17.6	0	0	0	112.6	G382 I383 G388	G382-D386 WeakPolarHBondContact O-CB 3.44Å; G382-D386 PolarHBondContact O-N 3.35Å; I383-D386 PolarHBondContact O-N 3.44Å; D386-G388 PolarHBondContact O-N 3.36Å
387	L	97.2	Very high	94.5	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	0.7	171.7	-71	169.6	0	0	0	112.7	S349 E351 F358 I383 L384 E385 I389	S349-L387 WeakPolarHBondContact CB-O 3.35Å; S349-L387 PolarHBondContact OG-O 3.41Å; E351-L387 HydrophobicContact CB-CD2 4.04Å; F358-L387 HydrophobicContact CD2-CD1 3.67Å; F358-L387 HydrophobicContact CE2-CD1 3.96Å; I383-L387 HydrophobicContact CG2-CD1 4.07Å; I383-L387 WeakPolarHBondContact O-CB 3.31Å; I383-L387 VanDerWaalsContact O-CG 3.23Å; I383-L387 WeakPolarHBondContact O-CG 3.01Å; I383-L387 PolarHBondContact O-N 3.49Å; L384-L387 PolarHBondContact O-N 3.26Å; E385-L387 PolarHBondContact O-N 2.89Å; L387-I389 HydrophobicContact CB-CG1 4.35Å
388	G	96.8	Very high	94.5	Very high	47 Å²	47	48.4 Å²	48.4	49%	0.485	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	28.2	178.7	0	0	0	0	0	113.9	S349 L384 E385 D386	S349-G388 WeakPolarHBondContact CB-O 2.99Å; L384-G388 PolarHBondContact O-N 3.09Å; E385-G388 WeakPolarHBondContact O-CA 3.47Å; E385-G388 PolarHBondContact O-N 3.4Å; D386-G388 PolarHBondContact O-N 3.36Å
389	I	97.3	Very high	94.4	Very high	11 Å²	11	45 Å²	45	6%	0.056	26%	0.26	C	S	.	.			trans	-82.3	122.6	173.7	-56.3	-64.8	0	0	0	109	F344 L352 L384 L387 I392	F344-I389 HydrophobicContact CB-CG2 4.09Å; F344-I389 HydrophobicContact CD1-CG2 3.46Å; F344-I389 VanDerWaalsContact CD1-CG2 3.46Å; F344-I389 HydrophobicContact CD2-CD1 3.92Å; F344-I389 HydrophobicContact CD2-CG1 4.47Å; F344-I389 HydrophobicContact CD2-CG2 4.09Å; F344-I389 HydrophobicContact CE1-CG2 3.84Å; F344-I389 HydrophobicContact CE2-CD1 4.08Å; F344-I389 HydrophobicContact CE2-CG1 4.32Å; F344-I389 HydrophobicContact CE2-CG2 4.43Å; F344-I389 HydrophobicContact CG-CD1 4.45Å; F344-I389 HydrophobicContact CG-CG2 3.61Å; F344-I389 HydrophobicContact CZ-CG1 4.49Å; F344-I389 HydrophobicContact CZ-CG2 4.32Å; L352-I389 HydrophobicContact CB-CD1 4.33Å; L352-I389 HydrophobicContact CD2-CD1 4.02Å; L384-I389 HydrophobicContact CB-CB 4.39Å; L384-I389 HydrophobicContact CD2-CG1 4.35Å; L384-I389 VanDerWaalsContact O-CB 3.31Å; L384-I389 WeakPolarHBondContact O-CB 3.34Å; L384-I389 WeakPolarHBondContact O-CG1 3.5Å; L384-I389 PolarHBondContact O-N 3.38Å; L387-I389 HydrophobicContact CB-CG1 4.35Å; I389-I392 HydrophobicContact CB-CD1 4.36Å; I389-I392 HydrophobicContact CB-CG1 4.1Å; I389-I392 HydrophobicContact CG2-CG1 3.75Å; I389-I392 WeakPolarHBondContact O-CD1 3.18Å; I389-I392 WeakPolarHBondContact O-CG1 3.4Å
390	E	93	Very high	94.5	Very high	175 Å²	175	41.8 Å²	41.8	82%	0.818	24%	0.243	S	C	*	.			trans	-95.5	149.1	178.3	-64.3	180	-179.5	0	0	111.8	I392	E390-I392 PolarHBondContact O-N 2.99Å
391	G	93.4	Very high	94.4	Very high	57 Å²	57	41.8 Å²	41.8	59%	0.588	24%	0.243	S	C	*	.	S	Bend	trans	67.3	34.4	174.6	0	0	0	0	0	114.2	T393	G391-T393 PolarHBondContact O-N 2.9Å
392	I	94.2	Very high	94.2	Very high	20 Å²	20	37.2 Å²	37.2	10%	0.103	23%	0.225	C	C	.	.			trans	-60.8	125.2	-179.4	-57.9	156.3	0	0	0	110	Y381 L384 E385 I389 E390 C397	Y381-I392 HydrophobicContact CD2-CB 4.11Å; Y381-I392 HydrophobicContact CD2-CD1 4.44Å; Y381-I392 HydrophobicContact CD2-CG2 3.79Å; Y381-I392 HydrophobicContact CE2-CB 3.79Å; Y381-I392 HydrophobicContact CE2-CD1 4.27Å; Y381-I392 HydrophobicContact CE2-CG2 4Å; L384-I392 HydrophobicContact CB-CD1 3.52Å; L384-I392 HydrophobicContact CB-CG1 4.08Å; L384-I392 HydrophobicContact CD1-CG2 3.85Å; E385-I392 HydrophobicContact CB-CD1 4.32Å; I389-I392 HydrophobicContact CB-CD1 4.36Å; I389-I392 HydrophobicContact CB-CG1 4.1Å; I389-I392 HydrophobicContact CG2-CG1 3.75Å; I389-I392 WeakPolarHBondContact O-CD1 3.18Å; I389-I392 WeakPolarHBondContact O-CG1 3.4Å; E390-I392 PolarHBondContact O-N 2.99Å; I392-C397 VanDerWaalsContact CG2-SG 3.6Å
393	T	91.8	Very high	94.1	Very high	55 Å²	55	36 Å²	36	34%	0.337	21%	0.213	S	C	.	.			trans	-99.9	159.2	174.4	67	0	0	0	0	111.7	G391 T395 D396 C397	G391-T393 PolarHBondContact O-N 2.9Å; T393-T395 PolarHBondContact O-N 3.11Å; T393-D396 WeakPolarHBondContact CB-OD2 3.19Å; T393-D396 PolarHBondContact N-OD2 3.43Å; T393-D396 WeakPolarHBondContact O-CB 3.5Å; T393-D396 PolarHBondContact O-N 3.44Å; T393-D396 PolarHBondContact OG1-N 3.43Å; T393-D396 VanDerWaalsContact OG1-N 3.07Å; T393-D396 PolarHBondContact OG1-OD2 3.33Å; T393-C397 PolarHBondContact O-N 3.15Å
394	V	89.2	Confident	94.1	Very high	79 Å²	79	35.4 Å²	35.4	48%	0.479	21%	0.21	S	C	.	.	H	α-helix	trans	-54.7	-36.6	171.2	177	0	0	0	0	111	F377 C397 A398	F377-V394 HydrophobicContact CD2-CG1 4.02Å; F377-V394 HydrophobicContact CE2-CG1 3.97Å; V394-C397 PolarHBondContact O-N 2.67Å; V394-A398 PolarHBondContact O-N 3.04Å
395	T	89.5	Confident	93.9	Very high	20 Å²	20	35.6 Å²	35.6	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-40.5	175.8	-58.1	0	0	0	0	112.5	F24 T393 A398 V399	F24-T395 HydrophobicContact CB-CG2 3.96Å; F24-T395 HydrophobicContact CD1-CG2 3.91Å; F24-T395 HydrophobicContact CD2-CG2 3.01Å; F24-T395 HydrophobicContact CE1-CG2 4.11Å; F24-T395 HydrophobicContact CE2-CG2 3.26Å; F24-T395 HydrophobicContact CG-CG2 3.34Å; F24-T395 HydrophobicContact CZ-CG2 3.8Å; T393-T395 PolarHBondContact O-N 3.11Å; T395-A398 PolarHBondContact O-N 3.46Å; T395-V399 WeakPolarHBondContact O-CG2 3.41Å; T395-V399 PolarHBondContact O-N 3.32Å
396	D	92.8	Very high	93.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-44.1	175.2	-61.8	-49	0	0	0	110.9	R28 L343 F344 T393 A398 V399 V400	R28-D396 IonicContact CZ-OD1 3.04Å; R28-D396 IonicContact NH1-OD1 2.68Å; R28-D396 PolarHBondContact NH1-OD1 3.07Å; R28-D396 IonicContact NH2-OD1 3.26Å; R28-D396 PolarHBondContact NH2-OD1 3.35Å; L343-D396 HydrophobicContact CD1-CB 4Å; F344-D396 HydrophobicContact CD1-CB 3.9Å; F344-D396 HydrophobicContact CE1-CB 3.72Å; F344-D396 PolarHBondContact N-OD1 3.08Å; T393-D396 WeakPolarHBondContact CB-OD2 3.19Å; T393-D396 PolarHBondContact N-OD2 3.43Å; T393-D396 WeakPolarHBondContact O-CB 3.5Å; T393-D396 PolarHBondContact O-N 3.44Å; T393-D396 PolarHBondContact OG1-N 3.43Å; T393-D396 VanDerWaalsContact OG1-N 3.07Å; T393-D396 PolarHBondContact OG1-OD2 3.33Å; D396-A398 VanDerWaalsContact C-N 3.34Å; D396-A398 PolarHBondContact O-N 3.48Å; D396-V399 PolarHBondContact O-N 2.94Å; D396-V400 VanDerWaalsContact O-CG2 3.3Å; D396-V400 WeakPolarHBondContact O-CG2 2.93Å; D396-V400 PolarHBondContact O-N 3.29Å
397	C	92.9	Very high	93.8	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.02	15%	0.151	C	C	.	.	H	α-helix	trans	-57.3	-48.2	174.3	-66	0	0	0	0	111.2	F377 T380 I392 T393 V394 V399 V400 S401	F377-C397 HydrophobicContact CB-CB 3.72Å; F377-C397 HydrophobicContact CD1-CB 4Å; F377-C397 HydrophobicContact CD2-CB 4Å; F377-C397 HydrophobicContact CG-CB 3.65Å; T380-C397 HydrophobicContact CG2-CB 3.81Å; I392-C397 VanDerWaalsContact CG2-SG 3.6Å; T393-C397 PolarHBondContact O-N 3.15Å; V394-C397 PolarHBondContact O-N 2.67Å; C397-V399 VanDerWaalsContact C-N 3.31Å; C397-V399 PolarHBondContact O-N 3.39Å; C397-V400 PolarHBondContact O-N 3.01Å; C397-V400 VanDerWaalsContact O-N 3.16Å; C397-S401 PolarHBondContact O-N 2.91Å; C397-S401 PolarHBondContact O-OG 2.79Å
398	A	89.5	Confident	93.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-41.8	178.6	0	0	0	0	0	112.8	L15 L20 F377 V394 T395 D396 H402	L15-A398 HydrophobicContact CD2-CB 4.16Å; L20-A398 HydrophobicContact CD1-CB 4.45Å; L20-A398 HydrophobicContact CD2-CB 3.84Å; F377-A398 HydrophobicContact CE1-CB 4.31Å; F377-A398 HydrophobicContact CE2-CB 4.03Å; F377-A398 HydrophobicContact CZ-CB 3.59Å; V394-A398 PolarHBondContact O-N 3.04Å; T395-A398 PolarHBondContact O-N 3.46Å; D396-A398 VanDerWaalsContact C-N 3.34Å; D396-A398 PolarHBondContact O-N 3.48Å; A398-H402 VanDerWaalsContact O-CB 3.22Å; A398-H402 WeakPolarHBondContact O-CB 3.37Å; A398-H402 PolarHBondContact O-N 3.31Å
399	V	92.2	Very high	93.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-47.8	175.4	173.8	0	0	0	0	110.8	F24 W29 V32 L337 L343 T395 D396 C397 H402 I403	F24-V399 HydrophobicContact CE2-CG2 3.67Å; F24-V399 HydrophobicContact CZ-CG2 3.73Å; W29-V399 HydrophobicContact CE3-CG2 4.43Å; W29-V399 HydrophobicContact CZ3-CG2 4.19Å; V32-V399 HydrophobicContact CG1-CG1 4.17Å; L337-V399 HydrophobicContact CD1-CG1 3.74Å; L343-V399 HydrophobicContact CD1-CB 3.95Å; L343-V399 HydrophobicContact CD1-CG1 3.87Å; T395-V399 WeakPolarHBondContact O-CG2 3.41Å; T395-V399 PolarHBondContact O-N 3.32Å; D396-V399 PolarHBondContact O-N 2.94Å; C397-V399 VanDerWaalsContact C-N 3.31Å; C397-V399 PolarHBondContact O-N 3.39Å; V399-H402 WeakPolarHBondContact O-CB 3.37Å; V399-H402 PolarHBondContact O-N 3.47Å; V399-I403 HydrophobicContact CG1-CG1 4.41Å; V399-I403 WeakPolarHBondContact O-CG1 3.37Å; V399-I403 PolarHBondContact O-N 3.26Å
400	V	95.8	Very high	93.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-49.5	-179.6	170.7	0	0	0	0	111.2	L334 L343 F344 I366 T380 L384 D396 C397 H402 I403 C404	L334-V400 HydrophobicContact CD1-CG1 4.48Å; L334-V400 HydrophobicContact CD1-CG2 4.45Å; L334-V400 HydrophobicContact CD2-CG2 3.97Å; L343-V400 HydrophobicContact CD1-CG2 4.3Å; L343-V400 HydrophobicContact CD2-CG2 4.14Å; F344-V400 HydrophobicContact CE1-CG2 4.31Å; F344-V400 HydrophobicContact CZ-CG2 3.77Å; I366-V400 HydrophobicContact CD1-CG1 3.91Å; T380-V400 HydrophobicContact CG2-CB 4.1Å; T380-V400 HydrophobicContact CG2-CG1 3.95Å; L384-V400 HydrophobicContact CD1-CG2 4.19Å; L384-V400 HydrophobicContact CD2-CG1 4.45Å; L384-V400 HydrophobicContact CD2-CG2 4.2Å; D396-V400 VanDerWaalsContact O-CG2 3.3Å; D396-V400 WeakPolarHBondContact O-CG2 2.93Å; D396-V400 PolarHBondContact O-N 3.29Å; C397-V400 PolarHBondContact O-N 3.01Å; C397-V400 VanDerWaalsContact O-N 3.16Å; V400-H402 PolarHBondContact O-N 3.45Å; V400-I403 PolarHBondContact O-N 3.07Å; V400-I403 VanDerWaalsContact O-N 3.13Å; V400-C404 PolarHBondContact O-N 3.21Å
401	S	93.6	Very high	94.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.4	-36.5	177.8	-44.4	0	0	0	0	111.7	I366 F377 T380 C397 A405	I366-S401 VanDerWaalsContact CG2-CA 3.41Å; F377-S401 WeakPolarHBondContact CD1-OG 3.32Å; T380-S401 PolarHBondContact OG1-OG 3.35Å; C397-S401 PolarHBondContact O-N 2.91Å; C397-S401 PolarHBondContact O-OG 2.79Å; S401-A405 VanDerWaalsContact O-CB 3.29Å; S401-A405 WeakPolarHBondContact O-CB 3.48Å; S401-A405 PolarHBondContact O-N 3.25Å
402	H	91.3	Very high	94.3	Very high	12 Å²	12	9.8 Å²	9.8	6%	0.056	6%	0.058	C	C	.	.	H	α-helix	trans	-65	-45	174.8	-177.9	90.3	0	0	0	113.3	F11 W29 A398 V399 V400 A405 L406	F11-H402 AromaticContact CD1-CE1 3.4Å; F11-H402 VanDerWaalsContact CD1-CE1 3.4Å; F11-H402 WeakPolarHBondContact CD1-CE1 3.4Å; F11-H402 AromaticContact CD1-NE2 3.67Å; F11-H402 AromaticContact CE1-CE1 3.19Å; F11-H402 WeakPolarHBondContact CE1-CE1 3.28Å; F11-H402 AromaticContact CE1-NE2 3.19Å; F11-H402 WeakPolarHBondContact CE1-NE2 3.44Å; W29-H402 HydrophobicContact CH2-CB 4.03Å; W29-H402 AromaticContact CH2-CD2 3.44Å; W29-H402 VanDerWaalsContact CH2-CD2 3.44Å; W29-H402 WeakPolarHBondContact CH2-CD2 3.37Å; W29-H402 AromaticContact CH2-CE1 3.64Å; W29-H402 AromaticContact CH2-CG 3.46Å; W29-H402 VanDerWaalsContact CH2-CG 3.46Å; W29-H402 AromaticContact CH2-ND1 3.62Å; W29-H402 AromaticContact CH2-NE2 3.55Å; W29-H402 AromaticContact CZ2-CE1 3.72Å; W29-H402 AromaticContact CZ2-NE2 3.8Å; A398-H402 VanDerWaalsContact O-CB 3.22Å; A398-H402 WeakPolarHBondContact O-CB 3.37Å; A398-H402 PolarHBondContact O-N 3.31Å; V399-H402 WeakPolarHBondContact O-CB 3.37Å; V399-H402 PolarHBondContact O-N 3.47Å; V400-H402 PolarHBondContact O-N 3.45Å; H402-A405 PolarHBondContact O-N 2.94Å; H402-L406 WeakPolarHBondContact O-CB 3.34Å; H402-L406 PolarHBondContact O-N 3.39Å
403	I	95.9	Very high	94.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.3	-44.3	177.7	-63.9	-48.8	0	0	0	110.9	V36 V330 I333 L334 L337 V399 V400 A405 L406 V407	V36-I403 HydrophobicContact CB-CD1 4.26Å; V36-I403 HydrophobicContact CG1-CD1 3.81Å; V36-I403 HydrophobicContact CG2-CD1 4.17Å; V330-I403 HydrophobicContact CG1-CG2 4.09Å; V330-I403 HydrophobicContact CG2-CG2 4.4Å; I333-I403 HydrophobicContact CB-CG2 3.92Å; I333-I403 HydrophobicContact CD1-CG2 3.96Å; I333-I403 HydrophobicContact CG2-CD1 3.92Å; I333-I403 HydrophobicContact CG2-CG1 4.1Å; I333-I403 HydrophobicContact CG2-CG2 3.69Å; L334-I403 HydrophobicContact CD2-CB 4.24Å; L334-I403 HydrophobicContact CD2-CG1 4.23Å; L334-I403 HydrophobicContact CD2-CG2 4.29Å; L337-I403 HydrophobicContact CD1-CD1 4.24Å; L337-I403 HydrophobicContact CD1-CG1 4.03Å; V399-I403 HydrophobicContact CG1-CG1 4.41Å; V399-I403 WeakPolarHBondContact O-CG1 3.37Å; V399-I403 PolarHBondContact O-N 3.26Å; V400-I403 PolarHBondContact O-N 3.07Å; V400-I403 VanDerWaalsContact O-N 3.13Å; I403-A405 VanDerWaalsContact C-N 3.33Å; I403-A405 PolarHBondContact O-N 3.42Å; I403-L406 PolarHBondContact O-N 3.24Å; I403-V407 WeakPolarHBondContact O-CG2 3.43Å; I403-V407 PolarHBondContact O-N 3.26Å
404	C	96.7	Very high	94.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-54.6	-50.7	173.8	-73.5	0	0	0	0	111.2	V363 I366 E367 V400 L406 V407 S408	V363-C404 HydrophobicContact CG1-CB 4Å; I366-C404 HydrophobicContact CB-CB 4.47Å; I366-C404 HydrophobicContact CG2-CB 3.87Å; E367-C404 HydrophobicContact CG-CB 4.45Å; V400-C404 PolarHBondContact O-N 3.21Å; C404-L406 PolarHBondContact O-N 3.06Å; C404-V407 PolarHBondContact O-N 2.91Å; C404-S408 PolarHBondContact O-N 2.77Å; C404-S408 PolarHBondContact O-OG 3.06Å
405	A	94.1	Very high	95.3	Very high	3 Å²	3	3.4 Å²	3.4	3%	0.025	2%	0.018	C	C	.	.	H	α-helix	trans	-62.3	-41.2	179.8	0	0	0	0	0	112.5	R9 E367 L370 S401 H402 I403 S408 S409	R9-A405 VanDerWaalsContact CZ-C 3.48Å; R9-A405 VanDerWaalsContact CZ-O 3.22Å; R9-A405 VanDerWaalsContact NH1-CB 3.26Å; R9-A405 PolarHBondContact NH2-O 3.39Å; E367-A405 HydrophobicContact CG-CB 4.39Å; E367-A405 VanDerWaalsContact OE1-CA 3.3Å; E367-A405 WeakPolarHBondContact OE1-CA 3.13Å; L370-A405 HydrophobicContact CD1-CB 3.77Å; S401-A405 VanDerWaalsContact O-CB 3.29Å; S401-A405 WeakPolarHBondContact O-CB 3.48Å; S401-A405 PolarHBondContact O-N 3.25Å; H402-A405 PolarHBondContact O-N 2.94Å; I403-A405 VanDerWaalsContact C-N 3.33Å; I403-A405 PolarHBondContact O-N 3.42Å; A405-S408 PolarHBondContact O-OG 2.91Å; A405-S409 WeakPolarHBondContact O-CB 3.49Å; A405-S409 PolarHBondContact O-N 2.97Å
406	L	94.6	Very high	95.7	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.005	1%	0.012	C	C	.	.	H	α-helix	trans	-61.6	-49.9	178.1	177.1	55.3	0	0	0	111.4	F11 V36 L39 D40 H402 I403 C404 S409 R410	F11-L406 HydrophobicContact CZ-CD1 3.97Å; V36-L406 HydrophobicContact CB-CD2 3.91Å; V36-L406 HydrophobicContact CG2-CD2 3.84Å; L39-L406 HydrophobicContact CB-CD1 4.06Å; L39-L406 HydrophobicContact CB-CD2 3.85Å; L39-L406 HydrophobicContact CB-CG 3.78Å; L39-L406 HydrophobicContact CD1-CD2 3.9Å; L39-L406 HydrophobicContact CD1-CG 4.31Å; D40-L406 HydrophobicContact CB-CD1 3.89Å; H402-L406 WeakPolarHBondContact O-CB 3.34Å; H402-L406 PolarHBondContact O-N 3.39Å; I403-L406 PolarHBondContact O-N 3.24Å; C404-L406 PolarHBondContact O-N 3.06Å; L406-S409 PolarHBondContact O-N 3.16Å; L406-R410 WeakPolarHBondContact O-CB 3.32Å; L406-R410 PolarHBondContact O-N 3.37Å
407	V	97.8	Very high	96	Very high	3 Å²	3	2.4 Å²	2.4	2%	0.018	1%	0.012	C	C	.	.	H	α-helix	trans	-63.3	-48.8	-179	166.1	0	0	0	0	111.5	M326 L329 V330 I333 I403 C404 S409 R410 A411	M326-V407 HydrophobicContact CG-CG1 3.79Å; L329-V407 HydrophobicContact CB-CG1 4.39Å; L329-V407 HydrophobicContact CD2-CG1 3.9Å; L329-V407 HydrophobicContact CD2-CG2 4.2Å; L329-V407 HydrophobicContact CG-CG1 4.39Å; L329-V407 HydrophobicContact CG-CG2 4.25Å; V330-V407 HydrophobicContact CG2-CB 3.83Å; V330-V407 HydrophobicContact CG2-CG1 3.99Å; V330-V407 HydrophobicContact CG2-CG2 3.81Å; I333-V407 HydrophobicContact CD1-CG2 3.55Å; I403-V407 WeakPolarHBondContact O-CG2 3.43Å; I403-V407 PolarHBondContact O-N 3.26Å; C404-V407 PolarHBondContact O-N 2.91Å; V407-S409 PolarHBondContact O-N 3.1Å; V407-R410 WeakPolarHBondContact O-CB 3.49Å; V407-R410 PolarHBondContact O-N 3.38Å; V407-A411 PolarHBondContact O-N 3.35Å
408	S	97.5	Very high	96.3	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-70.1	-32.3	-178.3	73.3	0	0	0	0	112.4	E367 C404 A405 A411 A412 H443 R449	E367-S408 WeakPolarHBondContact OE1-CB 3.39Å; E367-S408 PolarHBondContact OE1-OG 3.32Å; C404-S408 PolarHBondContact O-N 2.77Å; C404-S408 PolarHBondContact O-OG 3.06Å; A405-S408 PolarHBondContact O-OG 2.91Å; S408-A411 PolarHBondContact O-N 3.29Å; S408-A412 WeakPolarHBondContact O-CB 3.42Å; S408-A412 PolarHBondContact O-N 3.03Å; S408-H443 VanDerWaalsContact CB-NE2 3.29Å; S408-H443 WeakPolarHBondContact CB-NE2 3.34Å; S408-R449 PolarHBondContact OG-NH1 3.24Å
409	S	96.6	Very high	96.7	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.014	1%	0.011	C	C	.	.	H	α-helix	trans	-61.7	-48.9	171.2	-99.2	0	0	0	0	111.2	R9 A405 L406 V407 A411 A412 Y413 R449	R9-S409 VanDerWaalsContact CZ-OG 3.31Å; R9-S409 PolarHBondContact NE-OG 2.87Å; R9-S409 PolarHBondContact NH2-OG 3.45Å; A405-S409 WeakPolarHBondContact O-CB 3.49Å; A405-S409 PolarHBondContact O-N 2.97Å; L406-S409 PolarHBondContact O-N 3.16Å; V407-S409 PolarHBondContact O-N 3.1Å; S409-A411 VanDerWaalsContact C-N 3.3Å; S409-A411 PolarHBondContact O-N 3.27Å; S409-A412 PolarHBondContact O-N 2.88Å; S409-Y413 WeakPolarHBondContact O-CB 3.35Å; S409-Y413 WeakPolarHBondContact O-CD1 3.29Å; S409-Y413 VanDerWaalsContact O-CD2 3.3Å; S409-Y413 WeakPolarHBondContact O-CD2 3.37Å; S409-Y413 PolarHBondContact O-N 3.39Å; S409-R449 VanDerWaalsContact OG-CD 3.29Å; S409-R449 WeakPolarHBondContact OG-CD 3.3Å; S409-R449 PolarHBondContact OG-NE 3.01Å; S409-R449 VanDerWaalsContact OG-NE 3.16Å
410	R	97.7	Very high	97	Very high	3 Å²	3	2.2 Å²	2.2	1%	0.011	1%	0.011	C	C	.	.	H	α-helix	trans	-56.7	-47.3	177.6	-172.9	-170.4	178.1	-146.7	-4.5	110.8	L39 L41 I297 D302 L406 V407 A412 Y413 L414	L39-R410 VanDerWaalsContact CD2-NH1 3.3Å; L39-R410 WeakPolarHBondContact O-CD 3.26Å; L39-R410 VanDerWaalsContact O-CG 3.31Å; L39-R410 WeakPolarHBondContact O-CG 3.34Å; L41-R410 HydrophobicContact CD1-CG 3.72Å; L41-R410 HydrophobicContact CG-CG 3.98Å; I297-R410 PolarHBondContact O-NH2 3Å; D302-R410 IonicContact OD1-CZ 3.95Å; D302-R410 IonicContact OD1-NH1 2.67Å; D302-R410 PolarHBondContact OD1-NH1 2.99Å; D302-R410 IonicContact OD1-NH2 2.94Å; D302-R410 IonicContact OD2-CZ 3.41Å; D302-R410 VanDerWaalsContact OD2-CZ 3.26Å; D302-R410 IonicContact OD2-NH1 3.5Å; D302-R410 PolarHBondContact OD2-NH1 3.4Å; D302-R410 IonicContact OD2-NH2 3.67Å; D302-R410 PolarHBondContact OD2-NH2 3.14Å; L406-R410 WeakPolarHBondContact O-CB 3.32Å; L406-R410 PolarHBondContact O-N 3.37Å; V407-R410 WeakPolarHBondContact O-CB 3.49Å; V407-R410 PolarHBondContact O-N 3.38Å; R410-A412 PolarHBondContact O-N 3Å; R410-Y413 PolarHBondContact O-N 3.43Å; R410-L414 HydrophobicContact CG-CD1 4.08Å; R410-L414 VanDerWaalsContact O-CG 3.31Å; R410-L414 WeakPolarHBondContact O-CG 3.29Å; R410-L414 PolarHBondContact O-N 3.27Å
411	A	98.5	Very high	97.2	Very high	2 Å²	2	2.4 Å²	2.4	2%	0.017	1%	0.012	C	C	.	.	H	α-helix	trans	-56.6	-50.1	176.2	0	0	0	0	0	112.5	V320 M326 V407 S408 S409 Y413 L414 C415 F446	V320-A411 WeakPolarHBondContact O-CA 3.19Å; V320-A411 WeakPolarHBondContact O-CB 3.45Å; M326-A411 HydrophobicContact CE-CB 3.87Å; V407-A411 PolarHBondContact O-N 3.35Å; S408-A411 PolarHBondContact O-N 3.29Å; S409-A411 VanDerWaalsContact C-N 3.3Å; S409-A411 PolarHBondContact O-N 3.27Å; A411-Y413 VanDerWaalsContact C-N 3.33Å; A411-Y413 PolarHBondContact O-N 2.76Å; A411-L414 PolarHBondContact O-N 2.44Å; A411-C415 WeakPolarHBondContact O-CB 3.22Å; A411-C415 PolarHBondContact O-N 3.38Å; A411-F446 HydrophobicContact CB-CE2 3.88Å
412	A	98.4	Very high	97.4	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-64.1	-37.3	179.1	0	0	0	0	0	112.7	S408 S409 R410 G416 F446 R449	S408-A412 WeakPolarHBondContact O-CB 3.42Å; S408-A412 PolarHBondContact O-N 3.03Å; S409-A412 PolarHBondContact O-N 2.88Å; R410-A412 PolarHBondContact O-N 3Å; A412-G416 PolarHBondContact O-N 3.42Å; A412-F446 HydrophobicContact CB-CD1 4.24Å; A412-F446 HydrophobicContact CB-CD2 3.9Å; A412-F446 HydrophobicContact CB-CE1 4.14Å; A412-F446 HydrophobicContact CB-CE2 3.82Å; A412-F446 HydrophobicContact CB-CG 4.11Å; A412-F446 HydrophobicContact CB-CZ 3.93Å; A412-R449 HydrophobicContact CB-CB 3.55Å
413	Y	98.3	Very high	97.8	Very high	21 Å²	21	2 Å²	2	8%	0.082	1%	0.01	C	C	.	.	H	α-helix	trans	-71.9	-40.7	179.5	-61.5	-19	0	0	0	112.7	L8 S409 R410 A411 G416 A417 R449 F452 A453	L8-Y413 HydrophobicContact CB-CE2 4.13Å; L8-Y413 HydrophobicContact CD1-CD2 3.94Å; L8-Y413 HydrophobicContact CD1-CE2 4.36Å; S409-Y413 WeakPolarHBondContact O-CB 3.35Å; S409-Y413 WeakPolarHBondContact O-CD1 3.29Å; S409-Y413 VanDerWaalsContact O-CD2 3.3Å; S409-Y413 WeakPolarHBondContact O-CD2 3.37Å; S409-Y413 PolarHBondContact O-N 3.39Å; R410-Y413 PolarHBondContact O-N 3.43Å; A411-Y413 VanDerWaalsContact C-N 3.33Å; A411-Y413 PolarHBondContact O-N 2.76Å; Y413-G416 PolarHBondContact O-N 3.05Å; Y413-A417 PolarHBondContact O-N 3.3Å; Y413-R449 HydrophobicContact CD1-CB 4.27Å; Y413-R449 WeakPolarHBondContact CD1-O 3.42Å; Y413-R449 HydrophobicContact CE1-CB 3.75Å; Y413-R449 HydrophobicContact CE1-CG 4.14Å; Y413-F452 HydrophobicContact CD1-CD1 4.47Å; Y413-F452 AromaticContact CE1-CD1 3.79Å; Y413-F452 HydrophobicContact CE1-CD1 3.79Å; Y413-F452 HydrophobicContact CE1-CE1 4.39Å; Y413-A453 HydrophobicContact CD1-CB 3.78Å; Y413-A453 HydrophobicContact CG-CB 4.32Å
414	L	98.7	Very high	97.9	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.2	-44.5	173.2	-69.4	172.8	0	0	0	111.4	L41 L46 V49 I297 F317 V320 I321 R410 A411 G416 A417 G418	L41-L414 HydrophobicContact CD1-CD1 4.38Å; L41-L414 HydrophobicContact CD1-CD2 3.61Å; L41-L414 HydrophobicContact CD1-CG 3.68Å; L46-L414 HydrophobicContact CD2-CD2 4.39Å; V49-L414 HydrophobicContact CG2-CD2 3.82Å; I297-L414 HydrophobicContact CD1-CD2 3.66Å; F317-L414 HydrophobicContact CE2-CB 4.09Å; F317-L414 HydrophobicContact CZ-CB 4.33Å; V320-L414 HydrophobicContact CB-CD1 4.13Å; V320-L414 HydrophobicContact CG2-CD1 3.61Å; I321-L414 HydrophobicContact CD1-CB 4.15Å; I321-L414 HydrophobicContact CG1-CB 4.21Å; R410-L414 HydrophobicContact CG-CD1 4.08Å; R410-L414 VanDerWaalsContact O-CG 3.31Å; R410-L414 WeakPolarHBondContact O-CG 3.29Å; R410-L414 PolarHBondContact O-N 3.27Å; A411-L414 PolarHBondContact O-N 2.44Å; L414-G416 VanDerWaalsContact C-N 3.28Å; L414-G416 PolarHBondContact O-N 3.05Å; L414-A417 PolarHBondContact O-N 2.95Å; L414-G418 PolarHBondContact O-N 3.33Å; L414-G418 VanDerWaalsContact O-N 3.14Å
415	C	98.7	Very high	98	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.4	-42.1	172.4	-173.4	0	0	0	0	111.2	I321 A411 G418 I419 F446 L450	I321-C415 HydrophobicContact CD1-CB 4.24Å; I321-C415 HydrophobicContact CG2-CB 4.26Å; A411-C415 WeakPolarHBondContact O-CB 3.22Å; A411-C415 PolarHBondContact O-N 3.38Å; C415-G418 PolarHBondContact O-N 3.16Å; C415-I419 WeakPolarHBondContact O-CG1 2.77Å; C415-I419 PolarHBondContact O-N 3.39Å; C415-F446 HydrophobicContact CB-CZ 4.39Å; C415-L450 HydrophobicContact CB-CD1 3.95Å
416	G	98.6	Very high	98.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.9	-38.1	177.7	0	0	0	0	0	113.8	A412 Y413 L414 G418 I419 A420 L450	A412-G416 PolarHBondContact O-N 3.42Å; Y413-G416 PolarHBondContact O-N 3.05Å; L414-G416 VanDerWaalsContact C-N 3.28Å; L414-G416 PolarHBondContact O-N 3.05Å; G416-G418 VanDerWaalsContact C-N 3.27Å; G416-G418 PolarHBondContact O-N 3.01Å; G416-I419 PolarHBondContact O-N 2.99Å; G416-A420 VanDerWaalsContact O-CB 3.32Å; G416-A420 WeakPolarHBondContact O-CB 3.36Å; G416-A420 PolarHBondContact O-N 3.36Å; G416-L450 VanDerWaalsContact N-CD1 3.29Å
417	A	98.7	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.5	-37.9	172.2	0	0	0	0	0	111.9	L46 V49 Y413 L414 C421 L457	L46-A417 HydrophobicContact CB-CB 4.37Å; L46-A417 HydrophobicContact CD2-CB 4.29Å; V49-A417 HydrophobicContact CB-CB 4.24Å; V49-A417 HydrophobicContact CG1-CB 4.02Å; Y413-A417 PolarHBondContact O-N 3.3Å; L414-A417 PolarHBondContact O-N 2.95Å; A417-C421 WeakPolarHBondContact O-CB 2.94Å; A417-C421 PolarHBondContact O-N 3.09Å; A417-L457 VanDerWaalsContact CA-CD1 3.5Å; A417-L457 HydrophobicContact CB-CD1 3.69Å
418	G	98.7	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-47.1	174.3	0	0	0	0	0	113.1	M53 L414 C415 G416 C421 L422	M53-G418 WeakPolarHBondContact SD-CA 3.22Å; L414-G418 PolarHBondContact O-N 3.33Å; L414-G418 VanDerWaalsContact O-N 3.14Å; C415-G418 PolarHBondContact O-N 3.16Å; G416-G418 VanDerWaalsContact C-N 3.27Å; G416-G418 PolarHBondContact O-N 3.01Å; G418-C421 WeakPolarHBondContact O-CB 3.39Å; G418-C421 PolarHBondContact O-N 3.32Å; G418-L422 PolarHBondContact O-N 3.3Å
419	I	98.9	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-40.5	178.1	-60.5	-60.6	0	0	0	111.9	I233 L235 W285 C415 G416 C421 L422 L423 V433 I454	I233-I419 HydrophobicContact CD1-CG2 4.32Å; I233-I419 HydrophobicContact CG2-CD1 3.92Å; L235-I419 HydrophobicContact CB-CD1 4.31Å; L235-I419 HydrophobicContact CD1-CD1 4.21Å; L235-I419 HydrophobicContact CD2-CD1 3.98Å; L235-I419 HydrophobicContact CD2-CG1 4.08Å; L235-I419 HydrophobicContact CG-CD1 4.39Å; W285-I419 HydrophobicContact CH2-CD1 3.87Å; W285-I419 HydrophobicContact CH2-CG1 4.29Å; W285-I419 HydrophobicContact CZ3-CD1 4.03Å; C415-I419 WeakPolarHBondContact O-CG1 2.77Å; C415-I419 PolarHBondContact O-N 3.39Å; G416-I419 PolarHBondContact O-N 2.99Å; I419-C421 VanDerWaalsContact C-N 3.28Å; I419-C421 PolarHBondContact O-N 3.01Å; I419-L422 HydrophobicContact CD1-CD1 4.45Å; I419-L422 PolarHBondContact O-N 2.98Å; I419-L422 VanDerWaalsContact O-N 3.11Å; I419-L423 HydrophobicContact CG2-CD1 4.3Å; I419-L423 HydrophobicContact CG2-CG 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.44Å; I419-L423 PolarHBondContact O-N 2.82Å; I419-V433 HydrophobicContact CD1-CG1 4.32Å; I419-V433 HydrophobicContact CG2-CG2 3.94Å; I419-I454 HydrophobicContact CB-CD1 3.87Å; I419-I454 HydrophobicContact CB-CG1 3.99Å; I419-I454 HydrophobicContact CG1-CD1 4.47Å; I419-I454 HydrophobicContact CG2-CD1 3.61Å; I419-I454 HydrophobicContact CG2-CG1 4.04Å
420	A	98.8	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-39.1	174.1	0	0	0	0	0	111.9	M50 G416 L422 L423 N424 L457	M50-A420 HydrophobicContact SD-CB 4.2Å; G416-A420 VanDerWaalsContact O-CB 3.32Å; G416-A420 WeakPolarHBondContact O-CB 3.36Å; G416-A420 PolarHBondContact O-N 3.36Å; A420-L422 VanDerWaalsContact C-N 3.3Å; A420-L422 PolarHBondContact O-N 2.78Å; A420-L423 PolarHBondContact O-N 3.08Å; A420-N424 VanDerWaalsContact O-CB 3.31Å; A420-N424 WeakPolarHBondContact O-CB 3.36Å; A420-N424 PolarHBondContact O-N 2.94Å; A420-N424 PolarHBondContact O-ND2 3.27Å; A420-L457 HydrophobicContact CB-CB 3.53Å; A420-L457 HydrophobicContact CB-CD1 4.4Å
421	C	98.8	Very high	98.2	Very high	3 Å²	3	23 Å²	23	2%	0.02	11%	0.114	C	C	.	.	H	α-helix	trans	-54.6	-46.9	172.6	-169.4	0	0	0	0	111.5	M50 M53 S54 A417 G418 I419 N424 R425	M50-C421 HydrophobicContact CG-CB 3.74Å; M50-C421 PolarHBondContact O-SG 3.16Å; M53-C421 HydrophobicContact CG-CB 4.45Å; M53-C421 HydrophobicContact SD-CB 4.05Å; S54-C421 PolarHBondContact N-SG 3.48Å; S54-C421 VanDerWaalsContact N-SG 3.44Å; A417-C421 WeakPolarHBondContact O-CB 2.94Å; A417-C421 PolarHBondContact O-N 3.09Å; G418-C421 WeakPolarHBondContact O-CB 3.39Å; G418-C421 PolarHBondContact O-N 3.32Å; I419-C421 VanDerWaalsContact C-N 3.28Å; I419-C421 PolarHBondContact O-N 3.01Å; C421-N424 PolarHBondContact O-N 3.42Å; C421-R425 VanDerWaalsContact O-CB 3.32Å; C421-R425 WeakPolarHBondContact O-CB 3.44Å; C421-R425 PolarHBondContact O-N 2.78Å
422	L	98.8	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.2	-41.3	-178.5	-61.6	178.9	0	0	0	112.7	I57 I233 A243 Y245 M283 G418 I419 A420 N424 R425 M426	I57-L422 HydrophobicContact CD1-CD2 3.78Å; I233-L422 HydrophobicContact CD1-CB 3.7Å; I233-L422 HydrophobicContact CD1-CD1 4.27Å; I233-L422 HydrophobicContact CG2-CD1 4.07Å; A243-L422 HydrophobicContact CB-CD1 4.4Å; Y245-L422 HydrophobicContact CD1-CD1 4.34Å; Y245-L422 HydrophobicContact CD1-CD2 3.59Å; Y245-L422 HydrophobicContact CD2-CD2 4.47Å; Y245-L422 HydrophobicContact CE1-CD2 3.82Å; Y245-L422 HydrophobicContact CG-CD2 3.96Å; M283-L422 HydrophobicContact CE-CD2 3.88Å; M283-L422 HydrophobicContact SD-CD1 3.66Å; M283-L422 HydrophobicContact SD-CD2 3.73Å; M283-L422 HydrophobicContact SD-CG 4.2Å; G418-L422 PolarHBondContact O-N 3.3Å; I419-L422 HydrophobicContact CD1-CD1 4.45Å; I419-L422 PolarHBondContact O-N 2.98Å; I419-L422 VanDerWaalsContact O-N 3.11Å; A420-L422 VanDerWaalsContact C-N 3.3Å; A420-L422 PolarHBondContact O-N 2.78Å; L422-N424 VanDerWaalsContact C-N 3.35Å; L422-R425 PolarHBondContact O-N 3.41Å; L422-M426 WeakPolarHBondContact O-CE 3.41Å; L422-M426 WeakPolarHBondContact O-CG 3.18Å; L422-M426 PolarHBondContact O-N 3.37Å
423	L	98.8	Very high	98.2	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-59.4	-48.5	174.3	-67.5	173.5	0	0	0	110.8	I233 I419 A420 R425 M426 Q427 V431 I454 K458 L462 F464	I233-L423 HydrophobicContact CD1-CD2 4Å; I233-L423 HydrophobicContact CD1-CG 4.27Å; I419-L423 HydrophobicContact CG2-CD1 4.3Å; I419-L423 HydrophobicContact CG2-CG 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.44Å; I419-L423 PolarHBondContact O-N 2.82Å; A420-L423 PolarHBondContact O-N 3.08Å; L423-R425 VanDerWaalsContact C-N 3.26Å; L423-R425 PolarHBondContact O-N 3.43Å; L423-M426 PolarHBondContact O-N 3.33Å; L423-Q427 PolarHBondContact O-N 3.5Å; L423-V431 HydrophobicContact CD2-CB 3.6Å; L423-V431 HydrophobicContact CD2-CG1 3.79Å; L423-V431 HydrophobicContact CD2-CG2 4.1Å; L423-I454 HydrophobicContact CD1-CG2 3.52Å; L423-K458 HydrophobicContact CD1-CB 4.39Å; L423-K458 HydrophobicContact CD1-CD 4.43Å; L423-L462 HydrophobicContact CB-CD1 4.38Å; L423-L462 WeakPolarHBondContact O-CD1 3.4Å; L423-F464 HydrophobicContact CD1-CB 3.88Å; L423-F464 HydrophobicContact CD1-CD1 4.15Å; L423-F464 HydrophobicContact CD1-CG 3.96Å; L423-F464 HydrophobicContact CD2-CB 4.14Å
424	N	98.5	Very high	98.2	Very high	36 Å²	36	21.9 Å²	21.9	19%	0.193	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-30.2	178.8	-68.9	-8.9	0	0	0	112.5	M50 A420 C421 L422 Q427 L457 K458 D459	M50-N424 PolarHBondContact SD-ND2 3.23Å; M50-N424 VanDerWaalsContact SD-ND2 3.36Å; A420-N424 VanDerWaalsContact O-CB 3.31Å; A420-N424 WeakPolarHBondContact O-CB 3.36Å; A420-N424 PolarHBondContact O-N 2.94Å; A420-N424 PolarHBondContact O-ND2 3.27Å; C421-N424 PolarHBondContact O-N 3.42Å; L422-N424 VanDerWaalsContact C-N 3.35Å; N424-Q427 WeakPolarHBondContact O-CG 3.26Å; N424-Q427 PolarHBondContact O-NE2 3.26Å; N424-L457 PolarHBondContact ND2-O 2.84Å; N424-K458 VanDerWaalsContact OD1-CA 3.28Å; N424-K458 WeakPolarHBondContact OD1-CA 3.05Å; N424-D459 PolarHBondContact OD1-N 3.05Å
425	R	97.6	Very high	98.1	Very high	50 Å²	50	21.9 Å²	21.9	19%	0.189	11%	0.109	C	C	.	.	H	α-helix	trans	-71.9	-46.2	174.8	-178.2	176.8	-175.7	84.2	-1	112.1	D58 Y245 E247 C421 L422 L423	D58-R425 IonicContact OD1-CZ 2.78Å; D58-R425 IonicContact OD1-NH1 3.35Å; D58-R425 PolarHBondContact OD1-NH1 3Å; D58-R425 IonicContact OD1-NH2 3.25Å; D58-R425 PolarHBondContact OD1-NH2 3.34Å; D58-R425 VanDerWaalsContact OD1-NH2 3.13Å; D58-R425 IonicContact OD2-NH1 2.71Å; Y245-R425 PolarHBondContact OH-NE 2.99Å; E247-R425 IonicContact OE2-CZ 3.56Å; E247-R425 VanDerWaalsContact OE2-CZ 3.26Å; E247-R425 IonicContact OE2-NE 3.95Å; E247-R425 PolarHBondContact OE2-NE 2.93Å; E247-R425 IonicContact OE2-NH2 2.84Å; E247-R425 PolarHBondContact OE2-NH2 2.57Å; C421-R425 VanDerWaalsContact O-CB 3.32Å; C421-R425 WeakPolarHBondContact O-CB 3.44Å; C421-R425 PolarHBondContact O-N 2.78Å; L422-R425 PolarHBondContact O-N 3.41Å; L423-R425 VanDerWaalsContact C-N 3.26Å; L423-R425 PolarHBondContact O-N 3.43Å
426	M	97.2	Very high	97.9	Very high	27 Å²	27	23 Å²	23	13%	0.133	12%	0.115	C	C	.	.	H	α-helix	trans	-73.7	-27.1	-175.8	-71.8	-173.5	-69.7	0	0	113.6	H232 I233 Y245 L422 L423 K428 V431	H232-M426 HydrophobicContact CB-CE 4.35Å; H232-M426 HydrophobicContact CB-SD 3.9Å; I233-M426 HydrophobicContact CD1-CE 3.52Å; I233-M426 HydrophobicContact CG1-CE 3.47Å; I233-M426 VanDerWaalsContact CG1-CE 3.47Å; Y245-M426 HydrophobicContact CD2-CG 4.05Å; Y245-M426 HydrophobicContact CD2-SD 4.13Å; L422-M426 WeakPolarHBondContact O-CE 3.41Å; L422-M426 WeakPolarHBondContact O-CG 3.18Å; L422-M426 PolarHBondContact O-N 3.37Å; L423-M426 PolarHBondContact O-N 3.33Å; M426-K428 HydrophobicContact CB-CD 4.37Å; M426-K428 HydrophobicContact CB-CG 4.41Å; M426-K428 PolarHBondContact O-N 3.02Å; M426-K428 VanDerWaalsContact O-N 3.1Å; M426-K428 HydrophobicContact SD-CD 4.4Å; M426-V431 HydrophobicContact CE-CG1 4.09Å; M426-V431 HydrophobicContact CE-CG2 4.12Å
427	Q	96.8	Very high	97.6	Very high	106 Å²	106	23.4 Å²	23.4	50%	0.495	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	34.6	-179.8	-68.9	-66.5	-37.8	0	0	113.5	L423 N424	L423-Q427 PolarHBondContact O-N 3.5Å; N424-Q427 WeakPolarHBondContact O-CG 3.26Å; N424-Q427 PolarHBondContact O-NE2 3.26Å
428	K	95.9	Very high	97.3	Very high	53 Å²	53	25.9 Å²	25.9	23%	0.23	14%	0.137	C	C	.	.			trans	-85.9	134.1	176.3	-82.9	171.8	163.3	-84.4	0	109.9	H232 M426 F430 V431 L462	H232-K428 HydrophobicContact CB-CD 4.4Å; H232-K428 PolarHBondContact CD2-NZ 3.01Å; H232-K428 PolarHBondContact CE1-NZ 2.86Å; H232-K428 PolarHBondContact NE2-NZ 3.14Å; M426-K428 HydrophobicContact CB-CD 4.37Å; M426-K428 HydrophobicContact CB-CG 4.41Å; M426-K428 PolarHBondContact O-N 3.02Å; M426-K428 VanDerWaalsContact O-N 3.1Å; M426-K428 HydrophobicContact SD-CD 4.4Å; K428-F430 PolarHBondContact O-N 3.06Å; K428-F430 VanDerWaalsContact O-N 3.16Å; K428-V431 HydrophobicContact CB-CG2 3.49Å; K428-V431 VanDerWaalsContact CB-CG2 3.49Å; K428-V431 HydrophobicContact CD-CG2 3.97Å; K428-V431 HydrophobicContact CG-CG2 4.37Å; K428-L462 WeakPolarHBondContact O-CD2 2.97Å
429	P	97.1	Very high	97.2	Very high	107 Å²	107	25.9 Å²	25.9	70%	0.695	14%	0.137	S	C	*	.	S	Bend	trans	-56.4	-35.9	-177.1	-24.6	31.3	0	0	0	114	K463	P429-K463 PolarHBondContact O-N 3.38Å
430	F	98.2	Very high	97.1	Very high	72 Å²	72	27.8 Å²	27.8	32%	0.316	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	134.4	176.1	-178.9	-102	0	0	0	109.7	N230 K428 T432 K463 D465	N230-F430 HydrophobicContact CB-CD1 3.65Å; N230-F430 HydrophobicContact CB-CE1 3.77Å; K428-F430 PolarHBondContact O-N 3.06Å; K428-F430 VanDerWaalsContact O-N 3.16Å; F430-T432 WeakPolarHBondContact CE1-OG1 3.38Å; F430-K463 WeakPolarHBondContact CA-O 3.48Å; F430-K463 HydrophobicContact CD2-CB 3.83Å; F430-D465 HydrophobicContact CE2-CB 4.27Å; F430-D465 HydrophobicContact CZ-CB 3.97Å
431	V	98.5	Very high	96.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.4	175.6	171.3	0	0	0	0	109.6	H232 I233 L423 M426 K428 K463 F464 D465	H232-V431 HydrophobicContact CB-CG1 4.03Å; I233-V431 HydrophobicContact CD1-CG1 4.22Å; I233-V431 HydrophobicContact CG1-CG1 4.08Å; L423-V431 HydrophobicContact CD2-CB 3.6Å; L423-V431 HydrophobicContact CD2-CG1 3.79Å; L423-V431 HydrophobicContact CD2-CG2 4.1Å; M426-V431 HydrophobicContact CE-CG1 4.09Å; M426-V431 HydrophobicContact CE-CG2 4.12Å; K428-V431 HydrophobicContact CB-CG2 3.49Å; K428-V431 VanDerWaalsContact CB-CG2 3.49Å; K428-V431 HydrophobicContact CD-CG2 3.97Å; K428-V431 HydrophobicContact CG-CG2 4.37Å; V431-K463 PolarHBondContact N-O 2.83Å; V431-F464 WeakPolarHBondContact O-CA 3.36Å; V431-F464 WeakPolarHBondContact O-CB 3.31Å; V431-D465 PolarHBondContact O-N 2.99Å; V431-D465 VanDerWaalsContact O-N 3.11Å
432	T	98.6	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.5	165.1	-57.9	0	0	0	0	109.1	L224 D228 N230 C231 H232 F430 K467	L224-T432 HydrophobicContact CD2-CG2 3.67Å; D228-T432 WeakPolarHBondContact OD2-CB 3.39Å; D228-T432 WeakPolarHBondContact OD2-CG2 3.36Å; D228-T432 PolarHBondContact OD2-OG1 3.46Å; N230-T432 PolarHBondContact O-N 3.02Å; C231-T432 WeakPolarHBondContact CA-O 3.35Å; H232-T432 PolarHBondContact N-O 3.41Å; F430-T432 WeakPolarHBondContact CE1-OG1 3.38Å; T432-K467 HydrophobicContact CG2-CB 4.08Å; T432-K467 HydrophobicContact CG2-CD 3.8Å; T432-K467 HydrophobicContact CG2-CG 3.91Å
433	V	98.7	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.9	170.2	-173.3	0	0	0	0	107.7	I233 L235 I419 V435 D465 L466 K467	I233-V433 HydrophobicContact CB-CB 4.38Å; I233-V433 HydrophobicContact CB-CG1 4Å; I233-V433 HydrophobicContact CB-CG2 4.2Å; I233-V433 HydrophobicContact CD1-CG2 4.11Å; I233-V433 HydrophobicContact CG2-CG1 3.82Å; L235-V433 HydrophobicContact CB-CG1 4.05Å; I419-V433 HydrophobicContact CD1-CG1 4.32Å; I419-V433 HydrophobicContact CG2-CG2 3.94Å; V433-V435 HydrophobicContact CB-CG2 4.48Å; V433-V435 HydrophobicContact CG1-CG2 3.96Å; V433-V435 PolarHBondContact O-N 3.39Å; V433-D465 PolarHBondContact N-O 3.18Å; V433-L466 HydrophobicContact CB-CD2 3.64Å; V433-L466 HydrophobicContact CG1-CD2 4.18Å; V433-L466 HydrophobicContact CG2-CD2 3.87Å; V433-K467 PolarHBondContact O-N 3.08Å
434	G	97.7	Very high	96.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.2	170.9	0	0	0	0	0	110	T220 I233 G234 L235	T220-G434 VanDerWaalsContact CG2-O 3.3Å; T220-G434 WeakPolarHBondContact CG2-O 3.29Å; I233-G434 PolarHBondContact O-N 3.42Å; G234-G434 CarbonylContact C-O 3.57Å; G234-G434 WeakPolarHBondContact CA-O 3.07Å; L235-G434 PolarHBondContact N-O 2.97Å
435	V	97.4	Very high	96.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.4	-176.9	-164.6	0	0	0	0	110.4	L235 V433 Y440 L466 K467 L468 S469	L235-V435 HydrophobicContact CB-CG1 4.29Å; L235-V435 HydrophobicContact CB-CG2 4.33Å; L235-V435 HydrophobicContact CD2-CG1 3.9Å; L235-V435 HydrophobicContact CD2-CG2 4.11Å; L235-V435 HydrophobicContact CG-CG1 4Å; L235-V435 CarbonylContact O-C 3.12Å; L235-V435 WeakPolarHBondContact O-CA 3.05Å; V433-V435 HydrophobicContact CB-CG2 4.48Å; V433-V435 HydrophobicContact CG1-CG2 3.96Å; V433-V435 PolarHBondContact O-N 3.39Å; V435-Y440 HydrophobicContact CB-CD1 3.97Å; V435-Y440 HydrophobicContact CB-CD2 4.4Å; V435-Y440 HydrophobicContact CB-CE1 3.85Å; V435-Y440 HydrophobicContact CB-CE2 4.29Å; V435-Y440 HydrophobicContact CB-CG 4.24Å; V435-Y440 HydrophobicContact CG1-CD1 3.59Å; V435-Y440 HydrophobicContact CG1-CD2 3.58Å; V435-Y440 HydrophobicContact CG1-CE1 3.94Å; V435-Y440 HydrophobicContact CG1-CE2 3.92Å; V435-Y440 HydrophobicContact CG1-CG 3.4Å; V435-Y440 HydrophobicContact CG2-CE1 4.49Å; V435-Y440 HydrophobicContact CG2-CE2 4.31Å; V435-L466 HydrophobicContact CG2-CB 4.48Å; V435-L466 HydrophobicContact CG2-CD2 4.46Å; V435-K467 PolarHBondContact N-O 3.3Å; V435-L468 WeakPolarHBondContact O-CA 3.45Å; V435-S469 PolarHBondContact O-N 3.26Å
436	D	93.7	Very high	96.1	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.123	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	170.2	167.8	-158.2	-12.2	0	0	0	110	T220 L235 I236 V237 R441	T220-D436 HydrophobicContact CG2-CB 4.17Å; L235-D436 PolarHBondContact O-N 3.45Å; I236-D436 CarbonylContact C-O 3.15Å; I236-D436 WeakPolarHBondContact CA-O 3.07Å; I236-D436 HydrophobicContact CD1-CB 3.7Å; V237-D436 PolarHBondContact N-O 2.85Å; D436-R441 IonicContact OD1-CZ 3.87Å; D436-R441 IonicContact OD1-NE 3.55Å; D436-R441 PolarHBondContact OD1-NE 2.67Å; D436-R441 IonicContact OD1-NH2 2.89Å; D436-R441 PolarHBondContact OD1-NH2 2.83Å; D436-R441 IonicContact OD2-NH2 2.79Å; D436-R441 PolarHBondContact OD2-NH2 2.82Å
437	G	92.4	Very high	96.1	Very high	10 Å²	10	39 Å²	39	10%	0.103	20%	0.201	C	C	.	.	S	Bend	trans	118.1	147.8	176.5	0	0	0	0	0	113.2	V237 V439 Y440 R441	V237-G437 CarbonylContact O-C 3.57Å; V237-G437 VanDerWaalsContact O-CA 3.24Å; V237-G437 WeakPolarHBondContact O-CA 3.23Å; G437-V439 VanDerWaalsContact C-N 3.33Å; G437-V439 PolarHBondContact O-N 2.9Å; G437-Y440 PolarHBondContact O-N 2.84Å; G437-R441 WeakPolarHBondContact O-CB 3.42Å; G437-R441 WeakPolarHBondContact O-CG 3.47Å; G437-R441 PolarHBondContact O-N 3.13Å
438	S	92.6	Very high	96.1	Very high	51 Å²	51	39.4 Å²	39.4	36%	0.357	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-35.5	-174.2	51.4	0	0	0	0	113.8	V237 G238 R441 F442	V237-S438 PolarHBondContact O-N 3.28Å; G238-S438 WeakPolarHBondContact CA-OG 3.1Å; S438-R441 PolarHBondContact O-N 3Å; S438-F442 WeakPolarHBondContact O-CB 3.46Å; S438-F442 WeakPolarHBondContact O-CD2 3.48Å; S438-F442 PolarHBondContact O-N 3.16Å
439	V	96.5	Very high	96.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-49.3	178.3	-177.7	0	0	0	0	109.8	V237 M326 T360 G437 R441 H443 F446	V237-V439 HydrophobicContact CG1-CB 3.91Å; V237-V439 HydrophobicContact CG1-CG1 4.17Å; V237-V439 HydrophobicContact CG1-CG2 4.5Å; V237-V439 WeakPolarHBondContact O-CB 3.33Å; V237-V439 PolarHBondContact O-N 2.9Å; V237-V439 VanDerWaalsContact O-N 3.08Å; M326-V439 HydrophobicContact CE-CG1 3.85Å; T360-V439 HydrophobicContact CG2-CG2 4.13Å; G437-V439 VanDerWaalsContact C-N 3.33Å; G437-V439 PolarHBondContact O-N 2.9Å; V439-R441 VanDerWaalsContact C-N 3.31Å; V439-R441 PolarHBondContact O-N 3.35Å; V439-H443 HydrophobicContact CG1-CB 4.27Å; V439-H443 WeakPolarHBondContact O-CB 3.46Å; V439-H443 PolarHBondContact O-N 3.19Å; V439-F446 HydrophobicContact CG1-CB 4.5Å; V439-F446 HydrophobicContact CG1-CD2 3.52Å; V439-F446 HydrophobicContact CG1-CE2 3.77Å; V439-F446 HydrophobicContact CG1-CG 3.95Å; V439-F446 HydrophobicContact CG1-CZ 4.41Å
440	Y	96.7	Very high	96.1	Very high	39 Å²	39	33.2 Å²	33.2	15%	0.153	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-39.1	178.8	-176.5	-95.5	0	0	0	112.5	V237 V435 G437 F446 L450 L468	V237-Y440 PolarHBondContact O-N 3.03Å; V435-Y440 HydrophobicContact CB-CD1 3.97Å; V435-Y440 HydrophobicContact CB-CD2 4.4Å; V435-Y440 HydrophobicContact CB-CE1 3.85Å; V435-Y440 HydrophobicContact CB-CE2 4.29Å; V435-Y440 HydrophobicContact CB-CG 4.24Å; V435-Y440 HydrophobicContact CG1-CD1 3.59Å; V435-Y440 HydrophobicContact CG1-CD2 3.58Å; V435-Y440 HydrophobicContact CG1-CE1 3.94Å; V435-Y440 HydrophobicContact CG1-CE2 3.92Å; V435-Y440 HydrophobicContact CG1-CG 3.4Å; V435-Y440 HydrophobicContact CG2-CE1 4.49Å; V435-Y440 HydrophobicContact CG2-CE2 4.31Å; G437-Y440 PolarHBondContact O-N 2.84Å; Y440-F446 HydrophobicContact CD2-CD1 4.29Å; Y440-L450 HydrophobicContact CD2-CD2 4.15Å; Y440-L450 HydrophobicContact CE2-CD2 4Å; Y440-L468 HydrophobicContact CD1-CD1 3.9Å; Y440-L468 HydrophobicContact CE1-CD1 4.02Å
441	R	94.7	Very high	96.1	Very high	92 Å²	92	34.3 Å²	34.3	35%	0.347	17%	0.173	S	C	.	.	H	α-helix	trans	-71.8	-41.6	-177.9	-73.9	177.7	-174.5	-91.8	-1.3	113.8	D436 G437 S438 V439 L468 S469	D436-R441 IonicContact OD1-CZ 3.87Å; D436-R441 IonicContact OD1-NE 3.55Å; D436-R441 PolarHBondContact OD1-NE 2.67Å; D436-R441 IonicContact OD1-NH2 2.89Å; D436-R441 PolarHBondContact OD1-NH2 2.83Å; D436-R441 IonicContact OD2-NH2 2.79Å; D436-R441 PolarHBondContact OD2-NH2 2.82Å; G437-R441 WeakPolarHBondContact O-CB 3.42Å; G437-R441 WeakPolarHBondContact O-CG 3.47Å; G437-R441 PolarHBondContact O-N 3.13Å; S438-R441 PolarHBondContact O-N 3Å; V439-R441 VanDerWaalsContact C-N 3.31Å; V439-R441 PolarHBondContact O-N 3.35Å; R441-L468 HydrophobicContact CG-CD1 3.63Å; R441-S469 PolarHBondContact NH2-O 3.36Å
442	F	95	Very high	96	Very high	151 Å²	151	38.5 Å²	38.5	66%	0.662	19%	0.191	S	C	*	.	H	α-helix	trans	-110.1	-21.3	-166.4	-56.9	-58.5	0	0	0	114.2	S438	S438-F442 WeakPolarHBondContact O-CB 3.46Å; S438-F442 WeakPolarHBondContact O-CD2 3.48Å; S438-F442 PolarHBondContact O-N 3.16Å
443	H	96.5	Very high	96	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.028	19%	0.191	C	C	.	.			trans	-77.1	122.5	179.4	-171.5	-72.7	0	0	0	110.3	S364 E367 S408 V439 N445 F446	S364-H443 PolarHBondContact OG-CD2 3.16Å; E367-H443 IonicContact OE1-CE1 3.45Å; E367-H443 PolarHBondContact OE1-CE1 3.28Å; E367-H443 IonicContact OE1-NE2 2.66Å; E367-H443 PolarHBondContact OE1-NE2 3.21Å; E367-H443 IonicContact OE2-CE1 2.77Å; S408-H443 VanDerWaalsContact CB-NE2 3.29Å; S408-H443 WeakPolarHBondContact CB-NE2 3.34Å; V439-H443 HydrophobicContact CG1-CB 4.27Å; V439-H443 WeakPolarHBondContact O-CB 3.46Å; V439-H443 PolarHBondContact O-N 3.19Å; H443-N445 VanDerWaalsContact C-N 3.26Å; H443-N445 PolarHBondContact ND1-N 2.94Å; H443-N445 PolarHBondContact O-N 3.33Å; H443-N445 VanDerWaalsContact O-N 3.09Å; H443-F446 HydrophobicContact CB-CB 3.82Å; H443-F446 PolarHBondContact ND1-N 2.83Å; H443-F446 PolarHBondContact O-N 3.35Å
444	P	94.4	Very high	96	Very high	46 Å²	46	38.5 Å²	38.5	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.8	-165.4	22.2	-34.1	0	0	0	113.8	E367 L368	E367-P444 HydrophobicContact CB-CG 3.84Å; L368-P444 HydrophobicContact CD2-CB 3.79Å; L368-P444 HydrophobicContact CD2-CG 3.98Å; L368-P444 HydrophobicContact CG-CG 4.31Å
445	N	94.3	Very high	96	Very high	45 Å²	45	43 Å²	43	24%	0.241	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-2.9	-173	-64	-55.4	0	0	0	114.5	E367 H443 R449	E367-N445 PolarHBondContact OE2-ND2 3.01Å; H443-N445 VanDerWaalsContact C-N 3.26Å; H443-N445 PolarHBondContact ND1-N 2.94Å; H443-N445 PolarHBondContact O-N 3.33Å; H443-N445 VanDerWaalsContact O-N 3.09Å; N445-R449 WeakPolarHBondContact O-CB 3.29Å; N445-R449 WeakPolarHBondContact O-CD 3.42Å; N445-R449 VanDerWaalsContact O-CG 3.22Å; N445-R449 WeakPolarHBondContact O-CG 2.77Å; N445-R449 PolarHBondContact O-N 3.06Å
446	F	96.4	Very high	95.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-47.4	-168.7	-167.1	-78.8	0	0	0	111.4	V237 M326 A411 A412 C415 V439 Y440 H443 N448 R449 L450	V237-F446 HydrophobicContact CB-CE1 4.37Å; V237-F446 HydrophobicContact CG1-CE1 3.82Å; V237-F446 HydrophobicContact CG1-CE2 4.33Å; V237-F446 HydrophobicContact CG1-CZ 3.61Å; V237-F446 HydrophobicContact CG2-CE1 4.24Å; M326-F446 HydrophobicContact CE-CD2 4.36Å; M326-F446 HydrophobicContact CE-CE2 4.15Å; A411-F446 HydrophobicContact CB-CE2 3.88Å; A412-F446 HydrophobicContact CB-CD1 4.24Å; A412-F446 HydrophobicContact CB-CD2 3.9Å; A412-F446 HydrophobicContact CB-CE1 4.14Å; A412-F446 HydrophobicContact CB-CE2 3.82Å; A412-F446 HydrophobicContact CB-CG 4.11Å; A412-F446 HydrophobicContact CB-CZ 3.93Å; C415-F446 HydrophobicContact CB-CZ 4.39Å; V439-F446 HydrophobicContact CG1-CB 4.5Å; V439-F446 HydrophobicContact CG1-CD2 3.52Å; V439-F446 HydrophobicContact CG1-CE2 3.77Å; V439-F446 HydrophobicContact CG1-CG 3.95Å; V439-F446 HydrophobicContact CG1-CZ 4.41Å; Y440-F446 HydrophobicContact CD2-CD1 4.29Å; H443-F446 HydrophobicContact CB-CB 3.82Å; H443-F446 PolarHBondContact ND1-N 2.83Å; H443-F446 PolarHBondContact O-N 3.35Å; F446-N448 PolarHBondContact O-N 2.81Å; F446-R449 PolarHBondContact O-N 3Å; F446-L450 HydrophobicContact CD1-CB 4.47Å; F446-L450 HydrophobicContact CE1-CB 4.44Å; F446-L450 HydrophobicContact CE1-CD2 4.47Å; F446-L450 VanDerWaalsContact O-CB 3.31Å; F446-L450 WeakPolarHBondContact O-CB 3.43Å; F446-L450 PolarHBondContact O-N 2.7Å
447	G	96.7	Very high	96.1	Very high	16 Å²	16	45.1 Å²	45.1	17%	0.165	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-43.1	178.5	0	0	0	0	0	113.2	L450 K451	G447-L450 PolarHBondContact O-N 2.92Å; G447-K451 WeakPolarHBondContact O-CB 3.44Å; G447-K451 PolarHBondContact O-N 2.79Å
448	N	95.6	Very high	96.3	Very high	114 Å²	114	45.5 Å²	45.5	61%	0.61	22%	0.222	S	C	*	.	H	α-helix	trans	-64.6	-42.8	177.4	-70.4	-21.9	0	0	0	112.1	F446 K451 F452	F446-N448 PolarHBondContact O-N 2.81Å; N448-K451 PolarHBondContact O-N 3.31Å; N448-F452 WeakPolarHBondContact O-CB 3.3Å; N448-F452 PolarHBondContact O-N 3.5Å
449	R	96.4	Very high	96.6	Very high	31 Å²	31	45.2 Å²	45.2	12%	0.117	22%	0.216	C	C	.	.	H	α-helix	trans	-68.7	-38	178.2	-71.5	166.5	178.2	162.3	11.9	112.2	R9 E367 S408 S409 A412 Y413 N445 F446 F452 A453	R9-R449 VanDerWaalsContact NH2-CZ 3.32Å; E367-R449 VanDerWaalsContact CD-NH1 3.29Å; E367-R449 IonicContact OE1-CZ 2.7Å; E367-R449 IonicContact OE1-NH1 2.79Å; E367-R449 PolarHBondContact OE1-NH1 3.49Å; E367-R449 IonicContact OE2-CZ 3.52Å; E367-R449 IonicContact OE2-NH1 3.39Å; E367-R449 PolarHBondContact OE2-NH1 3.3Å; E367-R449 IonicContact OE2-NH2 2.7Å; E367-R449 PolarHBondContact OE2-NH2 2.82Å; S408-R449 PolarHBondContact OG-NH1 3.24Å; S409-R449 VanDerWaalsContact OG-CD 3.29Å; S409-R449 WeakPolarHBondContact OG-CD 3.3Å; S409-R449 PolarHBondContact OG-NE 3.01Å; S409-R449 VanDerWaalsContact OG-NE 3.16Å; A412-R449 HydrophobicContact CB-CB 3.55Å; Y413-R449 HydrophobicContact CD1-CB 4.27Å; Y413-R449 WeakPolarHBondContact CD1-O 3.42Å; Y413-R449 HydrophobicContact CE1-CB 3.75Å; Y413-R449 HydrophobicContact CE1-CG 4.14Å; N445-R449 WeakPolarHBondContact O-CB 3.29Å; N445-R449 WeakPolarHBondContact O-CD 3.42Å; N445-R449 VanDerWaalsContact O-CG 3.22Å; N445-R449 WeakPolarHBondContact O-CG 2.77Å; N445-R449 PolarHBondContact O-N 3.06Å; F446-R449 PolarHBondContact O-N 3Å; R449-F452 PolarHBondContact O-N 3.12Å; R449-A453 PolarHBondContact O-N 3.2Å
450	L	98.1	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-52.1	173	173.9	60.4	0	0	0	110	L235 C415 G416 Y440 F446 G447 F452 A453 I454 L466	L235-L450 HydrophobicContact CD2-CD2 3.87Å; C415-L450 HydrophobicContact CB-CD1 3.95Å; G416-L450 VanDerWaalsContact N-CD1 3.29Å; Y440-L450 HydrophobicContact CD2-CD2 4.15Å; Y440-L450 HydrophobicContact CE2-CD2 4Å; F446-L450 HydrophobicContact CD1-CB 4.47Å; F446-L450 HydrophobicContact CE1-CB 4.44Å; F446-L450 HydrophobicContact CE1-CD2 4.47Å; F446-L450 VanDerWaalsContact O-CB 3.31Å; F446-L450 WeakPolarHBondContact O-CB 3.43Å; F446-L450 PolarHBondContact O-N 2.7Å; G447-L450 PolarHBondContact O-N 2.92Å; L450-F452 VanDerWaalsContact C-N 3.32Å; L450-F452 PolarHBondContact O-N 3.14Å; L450-A453 PolarHBondContact O-N 3.18Å; L450-I454 HydrophobicContact CD1-CD1 3.91Å; L450-I454 HydrophobicContact CD1-CG1 4.3Å; L450-I454 HydrophobicContact CG-CD1 3.92Å; L450-I454 VanDerWaalsContact O-CG1 3.3Å; L450-I454 WeakPolarHBondContact O-CG1 3.28Å; L450-I454 PolarHBondContact O-N 2.82Å; L450-L466 HydrophobicContact CD2-CD1 3.99Å; L450-L466 HydrophobicContact CG-CD1 4.03Å
451	K	97.9	Very high	96.7	Very high	94 Å²	94	57.4 Å²	57.4	41%	0.409	28%	0.282	S	S	.	.	H	α-helix	trans	-57.2	-44.6	177.4	-173.1	173.7	-177.9	169.7	0	111.9	G447 N448 A453 I454 E455 F464 L466	G447-K451 WeakPolarHBondContact O-CB 3.44Å; G447-K451 PolarHBondContact O-N 2.79Å; N448-K451 PolarHBondContact O-N 3.31Å; K451-A453 PolarHBondContact O-N 3Å; K451-I454 PolarHBondContact O-N 2.9Å; K451-E455 PolarHBondContact O-N 2.66Å; K451-F464 HydrophobicContact CG-CE2 4.21Å; K451-F464 HydrophobicContact CG-CZ 3.9Å; K451-L466 HydrophobicContact CB-CD1 4.01Å
452	F	96.7	Very high	96.8	Very high	90 Å²	90	53.4 Å²	53.4	40%	0.395	27%	0.268	S	S	.	.	H	α-helix	trans	-57.7	-48.5	176.7	171.5	-96.3	0	0	0	112.4	Y413 N448 R449 L450 I454 E455 L456	Y413-F452 HydrophobicContact CD1-CD1 4.47Å; Y413-F452 AromaticContact CE1-CD1 3.79Å; Y413-F452 HydrophobicContact CE1-CD1 3.79Å; Y413-F452 HydrophobicContact CE1-CE1 4.39Å; N448-F452 WeakPolarHBondContact O-CB 3.3Å; N448-F452 PolarHBondContact O-N 3.5Å; R449-F452 PolarHBondContact O-N 3.12Å; L450-F452 VanDerWaalsContact C-N 3.32Å; L450-F452 PolarHBondContact O-N 3.14Å; F452-I454 VanDerWaalsContact C-N 3.34Å; F452-I454 PolarHBondContact O-N 3.44Å; F452-E455 PolarHBondContact O-N 3.18Å; F452-L456 HydrophobicContact CE1-CD2 4.33Å; F452-L456 WeakPolarHBondContact O-CB 3.38Å; F452-L456 PolarHBondContact O-N 3.08Å; F452-L456 VanDerWaalsContact O-N 3.09Å
453	A	97.1	Very high	97	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-36.9	179.6	0	0	0	0	0	112.6	Y413 R449 L450 K451 L456 L457	Y413-A453 HydrophobicContact CD1-CB 3.78Å; Y413-A453 HydrophobicContact CG-CB 4.32Å; R449-A453 PolarHBondContact O-N 3.2Å; L450-A453 PolarHBondContact O-N 3.18Å; K451-A453 PolarHBondContact O-N 3Å; A453-L456 PolarHBondContact O-N 2.92Å; A453-L457 WeakPolarHBondContact O-CD1 3.37Å; A453-L457 WeakPolarHBondContact O-CG 3.32Å; A453-L457 PolarHBondContact O-N 3.3Å
454	I	98.4	Very high	97.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-48.5	175.7	-62.3	163.2	0	0	0	110.5	I419 L423 L450 K451 F452 L456 L457 K458 F464 L466	I419-I454 HydrophobicContact CB-CD1 3.87Å; I419-I454 HydrophobicContact CB-CG1 3.99Å; I419-I454 HydrophobicContact CG1-CD1 4.47Å; I419-I454 HydrophobicContact CG2-CD1 3.61Å; I419-I454 HydrophobicContact CG2-CG1 4.04Å; L423-I454 HydrophobicContact CD1-CG2 3.52Å; L450-I454 HydrophobicContact CD1-CD1 3.91Å; L450-I454 HydrophobicContact CD1-CG1 4.3Å; L450-I454 HydrophobicContact CG-CD1 3.92Å; L450-I454 VanDerWaalsContact O-CG1 3.3Å; L450-I454 WeakPolarHBondContact O-CG1 3.28Å; L450-I454 PolarHBondContact O-N 2.82Å; K451-I454 PolarHBondContact O-N 2.9Å; F452-I454 VanDerWaalsContact C-N 3.34Å; F452-I454 PolarHBondContact O-N 3.44Å; I454-L456 PolarHBondContact O-N 3.41Å; I454-L457 PolarHBondContact O-N 3.28Å; I454-L457 VanDerWaalsContact O-N 3.11Å; I454-K458 WeakPolarHBondContact O-CB 3.38Å; I454-K458 WeakPolarHBondContact O-CG 3.22Å; I454-K458 PolarHBondContact O-N 3.02Å; I454-F464 HydrophobicContact CB-CE1 4.01Å; I454-F464 HydrophobicContact CB-CE2 3.97Å; I454-F464 HydrophobicContact CB-CZ 3.53Å; I454-F464 HydrophobicContact CD1-CD2 4.41Å; I454-F464 HydrophobicContact CD1-CE2 3.74Å; I454-F464 HydrophobicContact CD1-CZ 4.2Å; I454-F464 HydrophobicContact CG1-CE2 4.48Å; I454-F464 HydrophobicContact CG1-CZ 4.48Å; I454-F464 HydrophobicContact CG2-CD1 3.81Å; I454-F464 HydrophobicContact CG2-CD2 4.11Å; I454-F464 HydrophobicContact CG2-CE1 3.39Å; I454-F464 HydrophobicContact CG2-CE2 3.73Å; I454-F464 HydrophobicContact CG2-CG 4.15Å; I454-F464 HydrophobicContact CG2-CZ 3.36Å; I454-L466 HydrophobicContact CD1-CD1 4.32Å; I454-L466 HydrophobicContact CD1-CD2 3.96Å
455	E	97.6	Very high	97.3	Very high	93 Å²	93	54 Å²	54	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-58.8	-33.6	177.9	-75.7	-65.8	170.6	0	0	112.9	K451 F452 L457 K458 F464	K451-E455 PolarHBondContact O-N 2.66Å; F452-E455 PolarHBondContact O-N 3.18Å; E455-L457 VanDerWaalsContact C-N 3.31Å; E455-L457 PolarHBondContact O-N 2.93Å; E455-K458 VanDerWaalsContact CD-CE 3.49Å; E455-K458 WeakPolarHBondContact OE2-CE 3.29Å; E455-K458 IonicContact OE2-NZ 3.67Å; E455-K458 PolarHBondContact OE2-NZ 3.36Å; E455-F464 HydrophobicContact CG-CE1 3.84Å; E455-F464 HydrophobicContact CG-CZ 4.06Å; E455-F464 WeakPolarHBondContact OE1-CE1 3.47Å
456	L	96.1	Very high	97.5	Very high	56 Å²	56	52.9 Å²	52.9	29%	0.293	26%	0.262	S	S	.	.	H	α-helix	trans	-71.1	-25.6	179.4	-171.3	62.9	0	0	0	113.3	L8 L43 F452 A453 I454	L8-L456 HydrophobicContact CD2-CD2 3.48Å; L8-L456 VanDerWaalsContact CD2-CD2 3.48Å; L43-L456 HydrophobicContact CD1-CD1 4.44Å; L43-L456 HydrophobicContact CD1-CD2 3.74Å; L43-L456 HydrophobicContact CD1-CG 3.74Å; F452-L456 HydrophobicContact CE1-CD2 4.33Å; F452-L456 WeakPolarHBondContact O-CB 3.38Å; F452-L456 PolarHBondContact O-N 3.08Å; F452-L456 VanDerWaalsContact O-N 3.09Å; A453-L456 PolarHBondContact O-N 2.92Å; I454-L456 PolarHBondContact O-N 3.41Å
457	L	97.9	Very high	97.5	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-117	-26.5	-166.8	-65.9	168.2	0	0	0	114.6	L43 L46 K47 M50 A417 A420 N424 A453 I454 E455	L43-L457 HydrophobicContact CD1-CD2 3.71Å; L46-L457 HydrophobicContact CB-CD1 3.79Å; L46-L457 HydrophobicContact CB-CD2 3.93Å; L46-L457 HydrophobicContact CB-CG 4.42Å; L46-L457 HydrophobicContact CD1-CD1 4.04Å; K47-L457 HydrophobicContact CG-CD2 4.05Å; M50-L457 HydrophobicContact SD-CB 4.35Å; A417-L457 VanDerWaalsContact CA-CD1 3.5Å; A417-L457 HydrophobicContact CB-CD1 3.69Å; A420-L457 HydrophobicContact CB-CB 3.53Å; A420-L457 HydrophobicContact CB-CD1 4.4Å; N424-L457 PolarHBondContact ND2-O 2.84Å; A453-L457 WeakPolarHBondContact O-CD1 3.37Å; A453-L457 WeakPolarHBondContact O-CG 3.32Å; A453-L457 PolarHBondContact O-N 3.3Å; I454-L457 PolarHBondContact O-N 3.28Å; I454-L457 VanDerWaalsContact O-N 3.11Å; E455-L457 VanDerWaalsContact C-N 3.31Å; E455-L457 PolarHBondContact O-N 2.93Å
458	K	97.8	Very high	97.4	Very high	18 Å²	18	59 Å²	59	8%	0.078	29%	0.287	C	S	.	.	S	Bend	trans	-64.9	154.6	177.8	70.5	168.5	171.1	62.5	0	110.6	L423 N424 I454 E455 P460 L462 F464	L423-K458 HydrophobicContact CD1-CB 4.39Å; L423-K458 HydrophobicContact CD1-CD 4.43Å; N424-K458 VanDerWaalsContact OD1-CA 3.28Å; N424-K458 WeakPolarHBondContact OD1-CA 3.05Å; I454-K458 WeakPolarHBondContact O-CB 3.38Å; I454-K458 WeakPolarHBondContact O-CG 3.22Å; I454-K458 PolarHBondContact O-N 3.02Å; E455-K458 VanDerWaalsContact CD-CE 3.49Å; E455-K458 WeakPolarHBondContact OE2-CE 3.29Å; E455-K458 IonicContact OE2-NZ 3.67Å; E455-K458 PolarHBondContact OE2-NZ 3.36Å; K458-P460 WeakPolarHBondContact O-CD 3.22Å; K458-L462 HydrophobicContact CD-CB 4.39Å; K458-L462 WeakPolarHBondContact CD-O 3.19Å; K458-L462 WeakPolarHBondContact CE-O 3.19Å; K458-L462 PolarHBondContact NZ-O 2.87Å; K458-F464 HydrophobicContact CD-CD1 3.64Å; K458-F464 HydrophobicContact CD-CE1 3.92Å; K458-F464 VanDerWaalsContact CE-CD1 3.47Å
459	D	97.6	Very high	97.2	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	26%	0.258	C	S	.	.			trans	-54.1	125.3	166.1	179.3	-34	0	0	0	108.2	N424 K461 L462	N424-D459 PolarHBondContact OD1-N 3.05Å; D459-K461 PolarHBondContact O-N 3.11Å; D459-K461 WeakPolarHBondContact OD1-CB 3.45Å; D459-K461 WeakPolarHBondContact OD1-CG 3.47Å; D459-K461 PolarHBondContact OD1-N 3.45Å; D459-L462 HydrophobicContact CB-CD1 3.86Å; D459-L462 HydrophobicContact CB-CG 3.9Å; D459-L462 WeakPolarHBondContact O-CB 3.44Å; D459-L462 PolarHBondContact O-N 3.46Å
460	P	97.3	Very high	96.2	Very high	119 Å²	119	59.6 Å²	59.6	77%	0.773	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.2	-177	-28.3	35.3	0	0	0	114.8	K458 L462	K458-P460 WeakPolarHBondContact O-CD 3.22Å; P460-L462 VanDerWaalsContact C-N 3.33Å
461	K	97.5	Very high	95.3	Very high	177 Å²	177	62.9 Å²	62.9	77%	0.77	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-23.2	178.2	-61.8	172.8	-175.6	171.2	0	112.9	D459	D459-K461 PolarHBondContact O-N 3.11Å; D459-K461 WeakPolarHBondContact OD1-CB 3.45Å; D459-K461 WeakPolarHBondContact OD1-CG 3.47Å; D459-K461 PolarHBondContact OD1-N 3.45Å
462	L	98.3	Very high	94.3	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	29%	0.286	C	S	.	.			trans	-82	142.6	-178	-53.4	178	0	0	0	110.1	L423 K428 K458 D459 P460	L423-L462 HydrophobicContact CB-CD1 4.38Å; L423-L462 WeakPolarHBondContact O-CD1 3.4Å; K428-L462 WeakPolarHBondContact O-CD2 2.97Å; K458-L462 HydrophobicContact CD-CB 4.39Å; K458-L462 WeakPolarHBondContact CD-O 3.19Å; K458-L462 WeakPolarHBondContact CE-O 3.19Å; K458-L462 PolarHBondContact NZ-O 2.87Å; D459-L462 HydrophobicContact CB-CD1 3.86Å; D459-L462 HydrophobicContact CB-CG 3.9Å; D459-L462 WeakPolarHBondContact O-CB 3.44Å; D459-L462 PolarHBondContact O-N 3.46Å; P460-L462 VanDerWaalsContact C-N 3.33Å
463	K	98.5	Very high	93.7	Very high	148 Å²	148	54.5 Å²	54.5	64%	0.643	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.5	172.4	-63.6	-178.1	-179.3	-179.9	0	109.6	P429 F430 V431	P429-K463 PolarHBondContact O-N 3.38Å; F430-K463 WeakPolarHBondContact CA-O 3.48Å; F430-K463 HydrophobicContact CD2-CB 3.83Å; V431-K463 PolarHBondContact N-O 2.83Å
464	F	98.7	Very high	93.4	Very high	15 Å²	15	54.5 Å²	54.5	7%	0.066	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	164.5	174.3	75.8	-76	0	0	0	111.5	L423 V431 K451 I454 E455 K458 L466	L423-F464 HydrophobicContact CD1-CB 3.88Å; L423-F464 HydrophobicContact CD1-CD1 4.15Å; L423-F464 HydrophobicContact CD1-CG 3.96Å; L423-F464 HydrophobicContact CD2-CB 4.14Å; V431-F464 WeakPolarHBondContact O-CA 3.36Å; V431-F464 WeakPolarHBondContact O-CB 3.31Å; K451-F464 HydrophobicContact CG-CE2 4.21Å; K451-F464 HydrophobicContact CG-CZ 3.9Å; I454-F464 HydrophobicContact CB-CE1 4.01Å; I454-F464 HydrophobicContact CB-CE2 3.97Å; I454-F464 HydrophobicContact CB-CZ 3.53Å; I454-F464 HydrophobicContact CD1-CD2 4.41Å; I454-F464 HydrophobicContact CD1-CE2 3.74Å; I454-F464 HydrophobicContact CD1-CZ 4.2Å; I454-F464 HydrophobicContact CG1-CE2 4.48Å; I454-F464 HydrophobicContact CG1-CZ 4.48Å; I454-F464 HydrophobicContact CG2-CD1 3.81Å; I454-F464 HydrophobicContact CG2-CD2 4.11Å; I454-F464 HydrophobicContact CG2-CE1 3.39Å; I454-F464 HydrophobicContact CG2-CE2 3.73Å; I454-F464 HydrophobicContact CG2-CG 4.15Å; I454-F464 HydrophobicContact CG2-CZ 3.36Å; E455-F464 HydrophobicContact CG-CE1 3.84Å; E455-F464 HydrophobicContact CG-CZ 4.06Å; E455-F464 WeakPolarHBondContact OE1-CE1 3.47Å; K458-F464 HydrophobicContact CD-CD1 3.64Å; K458-F464 HydrophobicContact CD-CE1 3.92Å; K458-F464 VanDerWaalsContact CE-CD1 3.47Å; F464-L466 HydrophobicContact CD2-CD2 3.87Å; F464-L466 HydrophobicContact CD2-CG 4.16Å; F464-L466 HydrophobicContact CE2-CD1 4.35Å; F464-L466 HydrophobicContact CE2-CD2 3.83Å; F464-L466 HydrophobicContact CE2-CG 3.82Å
465	D	98.2	Very high	93.1	Very high	53 Å²	53	55.6 Å²	55.6	28%	0.283	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.8	166.4	-164.3	17.7	0	0	0	110.3	F430 V431 V433 K467	F430-D465 HydrophobicContact CE2-CB 4.27Å; F430-D465 HydrophobicContact CZ-CB 3.97Å; V431-D465 PolarHBondContact O-N 2.99Å; V431-D465 VanDerWaalsContact O-N 3.11Å; V433-D465 PolarHBondContact N-O 3.18Å; D465-K467 WeakPolarHBondContact OD2-CE 3.18Å
466	L	98.1	Very high	92.9	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.5	173.6	-57.1	-177.2	0	0	0	107.9	V433 V435 L450 K451 I454 F464	V433-L466 HydrophobicContact CB-CD2 3.64Å; V433-L466 HydrophobicContact CG1-CD2 4.18Å; V433-L466 HydrophobicContact CG2-CD2 3.87Å; V435-L466 HydrophobicContact CG2-CB 4.48Å; V435-L466 HydrophobicContact CG2-CD2 4.46Å; L450-L466 HydrophobicContact CD2-CD1 3.99Å; L450-L466 HydrophobicContact CG-CD1 4.03Å; K451-L466 HydrophobicContact CB-CD1 4.01Å; I454-L466 HydrophobicContact CD1-CD1 4.32Å; I454-L466 HydrophobicContact CD1-CD2 3.96Å; F464-L466 HydrophobicContact CD2-CD2 3.87Å; F464-L466 HydrophobicContact CD2-CG 4.16Å; F464-L466 HydrophobicContact CE2-CD1 4.35Å; F464-L466 HydrophobicContact CE2-CD2 3.83Å; F464-L466 HydrophobicContact CE2-CG 3.82Å
467	K	97.1	Very high	92.8	Very high	73 Å²	73	48.5 Å²	48.5	32%	0.317	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.9	179.6	-67.2	-173.8	-172.1	169.2	0	110.5	L224 D228 T432 V433 V435 D465 S469	L224-K467 HydrophobicContact CD1-CB 4.34Å; L224-K467 HydrophobicContact CD2-CB 3.75Å; D228-K467 IonicContact OD2-NZ 3.39Å; D228-K467 PolarHBondContact OD2-NZ 3.4Å; T432-K467 HydrophobicContact CG2-CB 4.08Å; T432-K467 HydrophobicContact CG2-CD 3.8Å; T432-K467 HydrophobicContact CG2-CG 3.91Å; V433-K467 PolarHBondContact O-N 3.08Å; V435-K467 PolarHBondContact N-O 3.3Å; D465-K467 WeakPolarHBondContact OD2-CE 3.18Å; K467-S469 PolarHBondContact O-N 2.7Å
468	L	95.2	Very high	92.6	Very high	71 Å²	71	47.9 Å²	47.9	37%	0.372	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.4	174.5	-167.8	69.4	0	0	0	109.3	V435 Y440 R441 Q470	V435-L468 WeakPolarHBondContact O-CA 3.45Å; Y440-L468 HydrophobicContact CD1-CD1 3.9Å; Y440-L468 HydrophobicContact CE1-CD1 4.02Å; R441-L468 HydrophobicContact CG-CD1 3.63Å; L468-Q470 PolarHBondContact O-N 3.39Å
469	S	90.5	Very high	92.4	Very high	1 Å²	1	47 Å²	47	1%	0.007	23%	0.233	C	C	.	.			trans	-81.4	115.5	172.1	-161.7	0	0	0	0	108.2	T220 V435 R441 K467	T220-S469 PolarHBondContact O-OG 2.91Å; V435-S469 PolarHBondContact O-N 3.26Å; R441-S469 PolarHBondContact NH2-O 3.36Å; K467-S469 PolarHBondContact O-N 2.7Å
470	Q	76.6	Confident	92.2	Very high	156 Å²	156	45 Å²	45	73%	0.729	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	124	177.1	-66.7	-175.2	-0.8	0	0	109	L468 G472	L468-Q470 PolarHBondContact O-N 3.39Å; Q470-G472 PolarHBondContact O-N 3.25Å
471	D	77.4	Confident	92	Very high	70 Å²	70	39.3 Å²	39.3	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	44.4	-176.2	-73.9	-37.8	0	0	0	114.4	R101 S473 G474 L475	R101-D471 IonicContact CZ-OD1 3.13Å; R101-D471 IonicContact NH1-OD1 2.69Å; R101-D471 PolarHBondContact NH1-OD1 2.85Å; R101-D471 IonicContact NH2-OD1 2.98Å; D471-S473 VanDerWaalsContact C-N 3.33Å; D471-S473 PolarHBondContact O-N 3.07Å; D471-G474 PolarHBondContact O-N 3Å; D471-L475 PolarHBondContact O-N 3.36Å; D471-L475 VanDerWaalsContact O-N 3.07Å
472	G	77.2	Confident	91.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-51.7	-47.3	-170.8	0	0	0	0	0	114	G219 T220 A223 Q470 G474 G476	G219-G472 CarbonylContact C-O 3.58Å; T220-G472 PolarHBondContact N-O 3.44Å; A223-G472 WeakPolarHBondContact CB-O 3.45Å; Q470-G472 PolarHBondContact O-N 3.25Å; G472-G474 PolarHBondContact O-N 3.03Å; G472-G476 WeakPolarHBondContact O-CA 3.36Å; G472-G476 PolarHBondContact O-N 2.94Å
473	S	83.7	Confident	91	Very high	7 Å²	7	31.3 Å²	31.3	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-66.2	-36.9	179.9	47.2	0	0	0	0	114	D94 R101 T160 D471 A477	D94-S473 VanDerWaalsContact CG-OG 3.23Å; D94-S473 WeakPolarHBondContact OD2-CB 3.33Å; D94-S473 PolarHBondContact OD2-OG 3.39Å; R101-S473 PolarHBondContact NH2-OG 2.62Å; T160-S473 PolarHBondContact OG1-O 3.46Å; D471-S473 VanDerWaalsContact C-N 3.33Å; D471-S473 PolarHBondContact O-N 3.07Å; S473-A477 VanDerWaalsContact O-CB 3.3Å; S473-A477 WeakPolarHBondContact O-CB 3.48Å; S473-A477 PolarHBondContact O-N 3.39Å
474	G	91.5	Very high	90.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-75.8	-56.5	-177.8	0	0	0	0	0	112	A92 I105 D471 G472 G476 A477 A478	A92-G474 WeakPolarHBondContact CB-O 3.43Å; I105-G474 WeakPolarHBondContact CD1-O 3.49Å; D471-G474 PolarHBondContact O-N 3Å; G472-G474 PolarHBondContact O-N 3.03Å; G474-G476 VanDerWaalsContact C-N 3.34Å; G474-G476 PolarHBondContact O-N 3.32Å; G474-A477 PolarHBondContact O-N 3.07Å; G474-A478 PolarHBondContact O-N 3.41Å
475	L	91.8	Very high	89.7	Confident	23 Å²	23	27.5 Å²	27.5	12%	0.12	14%	0.137	C	C	.	.	H	α-helix	trans	-62.9	-41.7	178.9	178.3	57.9	0	0	0	111.8	I105 L107 P112 A223 Y226 D471 A477 A478 L479	I105-L475 VanDerWaalsContact CD1-CA 3.5Å; I105-L475 HydrophobicContact CD1-CB 4.25Å; I105-L475 HydrophobicContact CD1-CD1 4.19Å; I105-L475 HydrophobicContact CG2-CD1 3.84Å; L107-L475 HydrophobicContact CD2-CD1 4.08Å; P112-L475 HydrophobicContact CB-CD1 4.23Å; P112-L475 HydrophobicContact CG-CD1 3.74Å; P112-L475 HydrophobicContact CG-CD2 4.1Å; A223-L475 HydrophobicContact CB-CB 3.94Å; A223-L475 HydrophobicContact CB-CD2 4.19Å; A223-L475 HydrophobicContact CB-CG 4.11Å; Y226-L475 HydrophobicContact CD1-CD2 4.42Å; D471-L475 PolarHBondContact O-N 3.36Å; D471-L475 VanDerWaalsContact O-N 3.07Å; L475-A477 VanDerWaalsContact C-N 3.3Å; L475-A477 PolarHBondContact O-N 3Å; L475-A478 PolarHBondContact O-N 3.2Å; L475-L479 HydrophobicContact CD1-CD1 4.06Å; L475-L479 HydrophobicContact CD1-CG 4.15Å; L475-L479 HydrophobicContact CG-CD1 3.82Å; L475-L479 HydrophobicContact CG-CG 4.41Å; L475-L479 WeakPolarHBondContact O-CG 3.47Å; L475-L479 PolarHBondContact O-N 3.4Å
476	G	93.2	Very high	88.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-40	177.3	0	0	0	0	0	112.7	G219 G472 G474 L479 V480	G219-G476 WeakPolarHBondContact O-CA 3.37Å; G472-G476 WeakPolarHBondContact O-CA 3.36Å; G472-G476 PolarHBondContact O-N 2.94Å; G474-G476 VanDerWaalsContact C-N 3.34Å; G474-G476 PolarHBondContact O-N 3.32Å; G476-L479 PolarHBondContact O-N 2.74Å; G476-V480 VanDerWaalsContact O-CG2 3.29Å; G476-V480 WeakPolarHBondContact O-CG2 3.44Å; G476-V480 PolarHBondContact O-N 2.94Å
477	A	94.8	Very high	87.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-44.8	176.5	0	0	0	0	0	112.8	A92 T160 L214 S473 G474 L475 V480 A481	A92-A477 HydrophobicContact CB-CB 3.78Å; T160-A477 WeakPolarHBondContact OG1-CB 3.18Å; L214-A477 HydrophobicContact CD1-CB 4.29Å; L214-A477 HydrophobicContact CD2-CB 3.68Å; S473-A477 VanDerWaalsContact O-CB 3.3Å; S473-A477 WeakPolarHBondContact O-CB 3.48Å; S473-A477 PolarHBondContact O-N 3.39Å; G474-A477 PolarHBondContact O-N 3.07Å; L475-A477 VanDerWaalsContact C-N 3.3Å; L475-A477 PolarHBondContact O-N 3Å; A477-V480 PolarHBondContact O-N 2.66Å; A477-A481 WeakPolarHBondContact O-CB 3.5Å; A477-A481 PolarHBondContact O-N 3.37Å
478	A	94.2	Very high	86.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-41.4	177	0	0	0	0	0	112	A92 I105 G474 L475 A481 A482	A92-A478 HydrophobicContact CB-CB 4.29Å; I105-A478 HydrophobicContact CB-CB 3.83Å; I105-A478 HydrophobicContact CD1-CB 3.69Å; I105-A478 HydrophobicContact CG1-CB 4.09Å; I105-A478 HydrophobicContact CG2-CB 4.22Å; G474-A478 PolarHBondContact O-N 3.41Å; L475-A478 PolarHBondContact O-N 3.2Å; A478-A481 WeakPolarHBondContact O-CB 3.38Å; A478-A481 PolarHBondContact O-N 3.08Å; A478-A482 WeakPolarHBondContact O-CB 3.4Å; A478-A482 PolarHBondContact O-N 3.37Å
479	L	92.9	Very high	85.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-45.2	177.2	-72.2	163.7	0	0	0	111.9	P82 E86 L107 M222 Y226 L475 G476 A481 A482 V483	P82-L479 HydrophobicContact CB-CD2 4.22Å; P82-L479 HydrophobicContact CG-CB 4.36Å; P82-L479 HydrophobicContact CG-CD1 4.01Å; P82-L479 HydrophobicContact CG-CD2 4.18Å; P82-L479 HydrophobicContact CG-CG 4.43Å; E86-L479 HydrophobicContact CG-CD2 4.47Å; L107-L479 HydrophobicContact CD1-CD2 3.96Å; L107-L479 HydrophobicContact CD2-CD2 3.86Å; L107-L479 HydrophobicContact CD2-CG 4.4Å; M222-L479 WeakPolarHBondContact O-CD1 3.32Å; Y226-L479 HydrophobicContact CD2-CD1 4.26Å; Y226-L479 HydrophobicContact CD2-CD2 3.5Å; Y226-L479 VanDerWaalsContact CD2-CD2 3.5Å; Y226-L479 HydrophobicContact CE2-CD2 3.79Å; Y226-L479 HydrophobicContact CG-CD1 4.03Å; Y226-L479 HydrophobicContact CG-CD2 4.07Å; L475-L479 HydrophobicContact CD1-CD1 4.06Å; L475-L479 HydrophobicContact CD1-CG 4.15Å; L475-L479 HydrophobicContact CG-CD1 3.82Å; L475-L479 HydrophobicContact CG-CG 4.41Å; L475-L479 WeakPolarHBondContact O-CG 3.47Å; L475-L479 PolarHBondContact O-N 3.4Å; G476-L479 PolarHBondContact O-N 2.74Å; L479-A481 VanDerWaalsContact C-N 3.3Å; L479-A481 PolarHBondContact O-N 3.07Å; L479-A482 WeakPolarHBondContact O-CB 3.27Å; L479-A482 PolarHBondContact O-N 3.18Å; L479-V483 WeakPolarHBondContact O-CG2 3.34Å; L479-V483 PolarHBondContact O-N 3.06Å
480	V	93.1	Very high	84.6	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-41.1	175.4	175.8	0	0	0	0	110.5	V78 L170 A212 L214 M222 G476 A477 A482 V483 A484	V78-V480 HydrophobicContact CG1-CG2 4.29Å; V78-V480 HydrophobicContact CG2-CG1 3.86Å; V78-V480 HydrophobicContact CG2-CG2 3.97Å; L170-V480 HydrophobicContact CD1-CG1 3.76Å; L170-V480 HydrophobicContact CD2-CG1 3.9Å; L170-V480 HydrophobicContact CG-CG1 4.17Å; A212-V480 HydrophobicContact CB-CB 4.45Å; A212-V480 HydrophobicContact CB-CG1 3.63Å; L214-V480 HydrophobicContact CD1-CG2 4.1Å; M222-V480 HydrophobicContact CB-CG2 4.35Å; M222-V480 HydrophobicContact CE-CG2 3.9Å; M222-V480 HydrophobicContact CG-CG2 3.79Å; G476-V480 VanDerWaalsContact O-CG2 3.29Å; G476-V480 WeakPolarHBondContact O-CG2 3.44Å; G476-V480 PolarHBondContact O-N 2.94Å; A477-V480 PolarHBondContact O-N 2.66Å; V480-A482 VanDerWaalsContact C-N 3.32Å; V480-A482 PolarHBondContact O-N 3.4Å; V480-V483 PolarHBondContact O-N 3.1Å; V480-A484 VanDerWaalsContact O-CB 3.28Å; V480-A484 WeakPolarHBondContact O-CB 3.44Å; V480-A484 PolarHBondContact O-N 3.44Å
481	A	93.8	Very high	83.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-39.5	174.4	0	0	0	0	0	112.3	Y90 V211 A477 A478 L479 A484 W485	Y90-A481 HydrophobicContact CD1-CB 4.18Å; V211-A481 HydrophobicContact CG2-CB 3.6Å; A477-A481 WeakPolarHBondContact O-CB 3.5Å; A477-A481 PolarHBondContact O-N 3.37Å; A478-A481 WeakPolarHBondContact O-CB 3.38Å; A478-A481 PolarHBondContact O-N 3.08Å; L479-A481 VanDerWaalsContact C-N 3.3Å; L479-A481 PolarHBondContact O-N 3.07Å; A481-A484 PolarHBondContact O-N 3.17Å; A481-W485 WeakPolarHBondContact O-CB 3.36Å; A481-W485 PolarHBondContact O-N 3.49Å
482	A	91	Very high	81.9	Confident	2 Å²	2	40 Å²	40	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-47.5	176.4	0	0	0	0	0	112.4	E86 Y90 L107 A478 L479 V480 A484 W485 R486	E86-A482 HydrophobicContact CB-CB 3.99Å; E86-A482 HydrophobicContact CG-CB 4.01Å; Y90-A482 HydrophobicContact CD1-CB 4.15Å; Y90-A482 HydrophobicContact CD2-CB 4.01Å; Y90-A482 HydrophobicContact CE1-CB 3.71Å; Y90-A482 HydrophobicContact CE2-CB 3.54Å; Y90-A482 HydrophobicContact CG-CB 4.29Å; Y90-A482 VanDerWaalsContact CZ-CA 3.49Å; L107-A482 HydrophobicContact CD1-CB 3.64Å; A478-A482 WeakPolarHBondContact O-CB 3.4Å; A478-A482 PolarHBondContact O-N 3.37Å; L479-A482 WeakPolarHBondContact O-CB 3.27Å; L479-A482 PolarHBondContact O-N 3.18Å; V480-A482 VanDerWaalsContact C-N 3.32Å; V480-A482 PolarHBondContact O-N 3.4Å; A482-A484 PolarHBondContact O-N 3.16Å; A482-W485 PolarHBondContact O-N 3.36Å; A482-R486 WeakPolarHBondContact O-CB 3.4Å; A482-R486 PolarHBondContact O-N 2.84Å
483	V	83.8	Confident	82.1	Confident	15 Å²	15	42.1 Å²	42.1	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-46.2	176.3	175.4	0	0	0	0	110.5	E86 L479 V480 W485 V487	E86-V483 HydrophobicContact CG-CG2 4.31Å; L479-V483 WeakPolarHBondContact O-CG2 3.34Å; L479-V483 PolarHBondContact O-N 3.06Å; V480-V483 PolarHBondContact O-N 3.1Å; V483-W485 PolarHBondContact O-N 3.21Å; V483-V487 WeakPolarHBondContact O-CG2 3.3Å; V483-V487 PolarHBondContact O-N 2.86Å; V483-V487 VanDerWaalsContact O-N 3.15Å
484	A	85.9	Confident	82.1	Confident	17 Å²	17	43.9 Å²	43.9	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-47.8	177.9	0	0	0	0	0	112.1	L170 V211 V480 A481 A482 V487 S488	L170-A484 HydrophobicContact CD2-CB 3.45Å; L170-A484 VanDerWaalsContact CD2-CB 3.45Å; V211-A484 HydrophobicContact CB-CB 4.49Å; V480-A484 VanDerWaalsContact O-CB 3.28Å; V480-A484 WeakPolarHBondContact O-CB 3.44Å; V480-A484 PolarHBondContact O-N 3.44Å; A481-A484 PolarHBondContact O-N 3.17Å; A482-A484 PolarHBondContact O-N 3.16Å; A484-V487 PolarHBondContact O-N 3.32Å; A484-S488 PolarHBondContact O-N 3.04Å
485	W	84.7	Confident	81.5	Confident	67 Å²	67	46.3 Å²	46.3	25%	0.254	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-47.1	-177.6	-173	-113.2	0	0	0	111.1	Y90 P156 K209 V211 A481 A482 V483 V487 S488 Q489	Y90-W485 HydrophobicContact CE1-CB 4.25Å; P156-W485 HydrophobicContact CB-CB 4.35Å; P156-W485 HydrophobicContact CB-CD2 4.11Å; P156-W485 HydrophobicContact CB-CE3 4.17Å; P156-W485 HydrophobicContact CB-CG 4.23Å; P156-W485 HydrophobicContact CG-CB 4.18Å; P156-W485 HydrophobicContact CG-CD2 3.47Å; P156-W485 VanDerWaalsContact CG-CD2 3.47Å; P156-W485 HydrophobicContact CG-CE3 3.94Å; P156-W485 HydrophobicContact CG-CG 3.6Å; P156-W485 HydrophobicContact CG-CZ2 4.21Å; P156-W485 HydrophobicContact CG-CZ3 4.46Å; K209-W485 HydrophobicContact CD-CZ3 4.17Å; V211-W485 HydrophobicContact CG1-CE3 3.71Å; V211-W485 HydrophobicContact CG1-CZ3 3.99Å; A481-W485 WeakPolarHBondContact O-CB 3.36Å; A481-W485 PolarHBondContact O-N 3.49Å; A482-W485 PolarHBondContact O-N 3.36Å; V483-W485 PolarHBondContact O-N 3.21Å; W485-V487 VanDerWaalsContact C-N 3.34Å; W485-V487 PolarHBondContact O-N 3.25Å; W485-S488 PolarHBondContact O-N 3.18Å; W485-S488 VanDerWaalsContact O-N 3.12Å; W485-S488 PolarHBondContact O-OG 3.1Å; W485-Q489 VanDerWaalsContact CE2-NE2 3.29Å; W485-Q489 WeakPolarHBondContact O-CG 3.35Å; W485-Q489 PolarHBondContact O-N 3.25Å
486	R	77.7	Confident	80.9	Confident	73 Å²	73	47.7 Å²	47.7	28%	0.275	27%	0.27	S	S	.	.	H	α-helix	trans	-55.3	-48.1	176	-175.9	-176.6	68.6	178.9	0.7	111.8	D83 T85 A482 S488 Q489 Q490	D83-R486 IonicContact OD1-NH1 3.76Å; D83-R486 PolarHBondContact OD1-NH1 3.31Å; D83-R486 IonicContact OD2-CZ 2.91Å; D83-R486 IonicContact OD2-NH1 3.85Å; D83-R486 PolarHBondContact OD2-NH1 3.24Å; D83-R486 IonicContact OD2-NH2 2.85Å; D83-R486 PolarHBondContact OD2-NH2 2.56Å; T85-R486 PolarHBondContact OG1-NH1 2.88Å; A482-R486 WeakPolarHBondContact O-CB 3.4Å; A482-R486 PolarHBondContact O-N 2.84Å; R486-S488 VanDerWaalsContact C-N 3.3Å; R486-S488 PolarHBondContact O-N 2.91Å; R486-Q489 PolarHBondContact O-N 3.25Å; R486-Q490 WeakPolarHBondContact O-CG 3.29Å; R486-Q490 PolarHBondContact O-N 3.42Å
487	V	73.8	Confident	80.2	Confident	58 Å²	58	50.7 Å²	50.7	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-39.1	178.8	173.6	0	0	0	0	111.2	V483 A484 W485 Q489 Q490 K491	V483-V487 WeakPolarHBondContact O-CG2 3.3Å; V483-V487 PolarHBondContact O-N 2.86Å; V483-V487 VanDerWaalsContact O-N 3.15Å; A484-V487 PolarHBondContact O-N 3.32Å; W485-V487 VanDerWaalsContact C-N 3.34Å; W485-V487 PolarHBondContact O-N 3.25Å; V487-Q489 PolarHBondContact O-N 3.28Å; V487-Q490 PolarHBondContact O-N 3.26Å; V487-K491 PolarHBondContact O-N 2.97Å
488	S	76.6	Confident	79.2	Confident	52 Å²	52	54.1 Å²	54.1	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-35.2	177.9	75.6	0	0	0	0	113.4	A484 W485 R486 Q490 K491 G492	A484-S488 PolarHBondContact O-N 3.04Å; W485-S488 PolarHBondContact O-N 3.18Å; W485-S488 VanDerWaalsContact O-N 3.12Å; W485-S488 PolarHBondContact O-OG 3.1Å; R486-S488 VanDerWaalsContact C-N 3.3Å; R486-S488 PolarHBondContact O-N 2.91Å; S488-Q490 VanDerWaalsContact C-N 3.31Å; S488-K491 PolarHBondContact O-N 3.06Å; S488-G492 PolarHBondContact O-N 2.9Å
489	Q	74.6	Confident	78.1	Confident	110 Å²	110	57.9 Å²	57.9	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-73.9	-22	177.9	-65.7	-67.9	-15	0	0	112.9	W485 R486 V487	W485-Q489 VanDerWaalsContact CE2-NE2 3.29Å; W485-Q489 WeakPolarHBondContact O-CG 3.35Å; W485-Q489 PolarHBondContact O-N 3.25Å; R486-Q489 PolarHBondContact O-N 3.25Å; V487-Q489 PolarHBondContact O-N 3.28Å
490	Q	67.5	Low	77	Confident	144 Å²	144	62.4 Å²	62.4	67%	0.673	35%	0.353	S	S	*	.	H	α-helix	trans	-83.3	-20.1	175.1	-71	175.6	-8.1	0	0	113	R486 V487 S488	R486-Q490 WeakPolarHBondContact O-CG 3.29Å; R486-Q490 PolarHBondContact O-N 3.42Å; V487-Q490 PolarHBondContact O-N 3.26Å; S488-Q490 VanDerWaalsContact C-N 3.31Å
491	K	56.7	Low	75.6	Confident	151 Å²	151	67.4 Å²	67.4	66%	0.657	38%	0.381	S	S	*	.	H	α-helix	trans	-89.9	-17.2	179.1	-75.3	-172.4	176	-173.5	0	113.6	E262 V487 S488	E262-K491 IonicContact OE1-NZ 3.76Å; V487-K491 PolarHBondContact O-N 2.97Å; S488-K491 PolarHBondContact O-N 3.06Å
492	G	41.7	Very low	74	Confident	120 Å²	120	73.5 Å²	73.5	100%	1.237	42%	0.416	S	S	*	.			trans	-97.4	0	176.3	0	0	0	0	0	111.3	S488	S488-G492 PolarHBondContact O-N 2.9Å

Retrieved 492 of 492 residues in 231.1 ms (Link to these results)

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