A0A077Z808_TRITR Loading...

Arginyl-tRNA--protein transferase 1

Involved in the post-translational conjugation of arginine to the N-terminal aspartate or glutamate of a protein. This arginylation is required for degradation of the protein via the ubiquitin pathway.

AlphaFold DB , UniProt , Accession A0A077Z808, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 420 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	58.7	Low	89.7	Confident	238 Å²	238	95.3 Å²	95.3	100%	1.172	48%	0.484	S	S	*	.				0	129.1	0	-94.9	-178.3	-87.2	0	0	108.3	M3	M1-M3 PolarHBondContact O-N 2.99Å
2	L	70	Confident	89.9	Confident	94 Å²	94	94.5 Å²	94.5	49%	0.492	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-72	125.2	172.4	-71.9	162.9	0	0	0	108.7	L277	L2-L277 HydrophobicContact CD1-CB 4.25Å; L2-L277 HydrophobicContact CD1-CD1 3.7Å; L2-L277 HydrophobicContact CD2-CD1 3.75Å; L2-L277 HydrophobicContact CG-CD1 4.33Å
3	M	86.2	Confident	90	Very high	149 Å²	149	93.1 Å²	93.1	73%	0.734	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-76.7	133.2	176.8	-65.3	-163.5	-64.8	0	0	110.6	M1 R36	M1-M3 PolarHBondContact O-N 2.99Å; M3-R36 WeakPolarHBondContact O-CD 3.47Å
4	S	94	Very high	89.7	Confident	35 Å²	35	93.4 Å²	93.4	25%	0.245	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-81	134.6	169	-65.3	0	0	0	0	109.8	R36 S38 D41	S4-R36 CarbonylContact C-O 3.56Å; S4-R36 WeakPolarHBondContact CA-O 3.36Å; S4-S38 PolarHBondContact OG-N 3.39Å; S4-D41 WeakPolarHBondContact CB-OD2 3.47Å; S4-D41 PolarHBondContact OG-OD2 3.02Å
5	I	96.5	Very high	89.3	Confident	89 Å²	89	93.5 Å²	93.5	46%	0.456	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113.4	-179.9	-55.5	174.9	0	0	0	107.8	H35 R36	I5-H35 HydrophobicContact CB-CB 4.19Å; I5-H35 HydrophobicContact CG2-CB 4.06Å; I5-H35 WeakPolarHBondContact O-CB 3.37Å; I5-H35 PolarHBondContact O-N 3.1Å; I5-R36 CarbonylContact C-O 3.48Å; I5-R36 PolarHBondContact N-O 3.29Å; I5-R36 PolarHBondContact O-N 3.07Å; I5-R36 VanDerWaalsContact O-N 3.13Å; I5-R36 VanDerWaalsContact O-O 3.1Å
6	V	96.5	Very high	88.9	Confident	62 Å²	62	94.8 Å²	94.8	38%	0.376	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.4	-178.2	-55.4	0	0	0	0	110.5	M32 W33 L34 L37	V6-M32 HydrophobicContact CB-SD 4.32Å; V6-M32 HydrophobicContact CG1-SD 4.4Å; V6-W33 CarbonylContact C-O 3.58Å; V6-W33 VanDerWaalsContact CA-O 3.3Å; V6-W33 WeakPolarHBondContact CA-O 3.48Å; V6-L34 HydrophobicContact CB-CD2 4.24Å; V6-L34 HydrophobicContact CG1-CD2 3.52Å; V6-L37 HydrophobicContact CG1-CD1 4.16Å
7	Q	98	Very high	88.9	Confident	102 Å²	102	89.5 Å²	89.5	48%	0.477	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.8	173.8	-178.6	-176.1	6.9	0	0	108.6	L9 M32 W33	Q7-L9 HydrophobicContact CG-CD2 4.21Å; Q7-M32 CarbonylContact O-C 3.6Å; Q7-M32 WeakPolarHBondContact O-CA 3.43Å; Q7-M32 WeakPolarHBondContact O-CB 3.48Å; Q7-W33 HydrophobicContact CB-CB 4.29Å; Q7-W33 PolarHBondContact N-O 3.36Å; Q7-W33 PolarHBondContact O-N 2.91Å
8	Y	97.6	Very high	88.6	Confident	135 Å²	135	87.7 Å²	87.7	53%	0.529	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.5	176.2	-177.2	-120.1	0	0	0	110.8	G10 Y30 G31 W50	Y8-G10 VanDerWaalsContact CZ-CA 3.48Å; Y8-Y30 WeakPolarHBondContact OH-CD1 3.48Å; Y8-G31 VanDerWaalsContact CD2-O 3.31Å; Y8-G31 WeakPolarHBondContact CD2-O 3.45Å; Y8-W50 HydrophobicContact CE2-CH2 4.46Å
9	L	97.5	Very high	88.6	Confident	62 Å²	62	86.7 Å²	86.7	33%	0.325	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	3.1	-175.8	-58.4	176.2	0	0	0	112.8	Q7 Q12 G31 W33 Y56	Q7-L9 HydrophobicContact CG-CD2 4.21Å; L9-Q12 PolarHBondContact O-NE2 3.4Å; L9-G31 PolarHBondContact N-O 3.28Å; L9-W33 HydrophobicContact CD1-CB 4.21Å; L9-Y56 HydrophobicContact CD1-CD2 4.2Å; L9-Y56 HydrophobicContact CD1-CE2 3.87Å
10	G	95.5	Very high	88.5	Confident	17 Å²	17	83.9 Å²	83.9	18%	0.175	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.5	-162.3	177	0	0	0	0	0	114.5	Y8 Y30 G31	Y8-G10 VanDerWaalsContact CZ-CA 3.48Å; G10-Y30 WeakPolarHBondContact O-CA 3.38Å; G10-G31 PolarHBondContact O-N 2.95Å
11	L	96	Very high	88	Confident	65 Å²	65	85 Å²	85	34%	0.34	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.5	178.4	-176.9	67.4	0	0	0	110.5	Y30 V61	L11-Y30 HydrophobicContact CB-CD1 4.17Å; L11-Y30 HydrophobicContact CB-CE1 4.01Å; L11-Y30 HydrophobicContact CD1-CD1 4.16Å; L11-Y30 HydrophobicContact CD1-CE1 3.96Å; L11-V61 HydrophobicContact CD1-CG2 3.78Å
12	Q	92.5	Very high	88.8	Confident	86 Å²	86	78.7 Å²	78.7	40%	0.402	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.2	176.4	-60	-63.3	-35.1	0	0	108.3	L9 S28 N29	L9-Q12 PolarHBondContact O-NE2 3.4Å; Q12-S28 CarbonylContact O-C 3.49Å; Q12-S28 WeakPolarHBondContact O-CA 3.26Å; Q12-N29 PolarHBondContact N-O 2.77Å; Q12-N29 PolarHBondContact O-N 3.08Å
13	S	91.3	Very high	88.7	Confident	76 Å²	76	79.3 Å²	79.3	53%	0.531	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.5	-180	-59.7	0	0	0	0	110.8	S28	S13-S28 PolarHBondContact OG-OG 3.41Å
14	Q	85.2	Confident	87.9	Confident	97 Å²	97	82.8 Å²	82.8	45%	0.453	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138	178.4	-63.3	178.9	10.6	0	0	109	H16 R27	Q14-H16 PolarHBondContact O-N 2.86Å; Q14-R27 PolarHBondContact N-O 3.31Å; Q14-R27 PolarHBondContact O-N 3.04Å
15	S	83.3	Confident	87.1	Confident	96 Å²	96	81.1 Å²	81.1	67%	0.671	45%	0.447	S	S	*	.	S	Bend	trans	-80.5	9.6	177.9	53.5	0	0	0	0	113.8	G25	S15-G25 CarbonylContact C-O 3.46Å
16	H	84	Confident	86.5	Confident	114 Å²	114	81.1 Å²	81.1	53%	0.528	45%	0.448	S	S	.	.			trans	-127.9	130.4	177.7	-175.3	64.2	0	0	0	111.8	Q14 G25	Q14-H16 PolarHBondContact O-N 2.86Å; H16-G25 CarbonylContact C-O 3.5Å; H16-G25 VanDerWaalsContact CA-O 3.23Å; H16-G25 WeakPolarHBondContact CA-O 3.48Å; H16-G25 PolarHBondContact N-O 3.41Å
17	C	87.9	Confident	86.1	Confident	4 Å²	4	81.7 Å²	81.7	3%	0.027	44%	0.443	C	S	.	.			trans	-106.2	119.4	176.1	-173.3	0	0	0	0	110.6	Y19 G25 C66	C17-Y19 PolarHBondContact O-N 3.26Å; C17-Y19 VanDerWaalsContact O-N 3.15Å; C17-G25 PolarHBondContact N-O 2.94Å; C17-C66 WeakPolarHBondContact CB-SG 3.35Å; C17-C66 PolarHBondContact SG-SG 2.79Å
18	G	84.3	Confident	85.7	Confident	57 Å²	57	77.1 Å²	77.1	59%	0.588	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.2	177.2	0	0	0	0	0	115.4
19	Y	87.6	Confident	85.6	Confident	69 Å²	69	71.2 Å²	71.2	27%	0.271	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-23.8	-175	-61.6	-55.9	0	0	0	114.4	C17 C67 I362 C365 M368	C17-Y19 PolarHBondContact O-N 3.26Å; C17-Y19 VanDerWaalsContact O-N 3.15Å; Y19-C67 HydrophobicContact CD2-CB 4.11Å; Y19-C67 HydrophobicContact CG-CB 4.37Å; Y19-I362 HydrophobicContact CD1-CD1 3.62Å; Y19-I362 HydrophobicContact CD2-CD1 3.33Å; Y19-I362 HydrophobicContact CE1-CD1 3.68Å; Y19-I362 HydrophobicContact CE2-CD1 3.36Å; Y19-I362 HydrophobicContact CG-CD1 3.46Å; Y19-I362 VanDerWaalsContact CG-CD1 3.46Å; Y19-C365 PolarHBondContact O-SG 3.05Å; Y19-M368 HydrophobicContact CD1-CG 3.91Å; Y19-M368 HydrophobicContact CE1-CE 4.05Å; Y19-M368 HydrophobicContact CE1-CG 3.76Å; Y19-M368 HydrophobicContact CE1-SD 4.12Å
20	C	86.5	Confident	85.6	Confident	30 Å²	30	72.3 Å²	72.3	20%	0.203	40%	0.401	C	S	.	.	S	Bend	trans	-128.4	161.4	175.4	65.9	0	0	0	0	110.7	L22 C66	C20-L22 VanDerWaalsContact C-N 3.28Å; C20-L22 HydrophobicContact CB-CG 4.32Å; C20-C66 PolarHBondContact SG-SG 2.89Å
21	S	78	Confident	85.7	Confident	107 Å²	107	71.5 Å²	71.5	75%	0.748	39%	0.392	S	S	*	.			trans	-91.7	15	178.3	-51.5	0	0	0	0	112.8	A23	S21-A23 PolarHBondContact O-N 2.91Å
22	L	77.2	Confident	85.8	Confident	106 Å²	106	69.2 Å²	69.2	56%	0.555	38%	0.38	S	S	*	.			trans	-65.3	129.5	-179.2	-65.2	177.1	0	0	0	109.6	C20 R24 G25 C66	C20-L22 VanDerWaalsContact C-N 3.28Å; C20-L22 HydrophobicContact CB-CG 4.32Å; L22-R24 PolarHBondContact O-N 3.33Å; L22-R24 VanDerWaalsContact O-N 3.12Å; L22-G25 PolarHBondContact O-N 3.5Å; L22-G25 VanDerWaalsContact O-N 3.17Å; L22-C66 HydrophobicContact CD1-CB 4.49Å
23	A	68.1	Low	86.1	Confident	107 Å²	107	69.8 Å²	69.8	88%	0.884	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.2	179.7	0	0	0	0	0	113.2	S21	S21-A23 PolarHBondContact O-N 2.91Å
24	R	69.1	Low	86.3	Confident	223 Å²	223	66.1 Å²	66.1	84%	0.842	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	53.8	175.3	-61.7	-176.2	-176.5	176.9	1.1	110.8	L22 D26	L22-R24 PolarHBondContact O-N 3.33Å; L22-R24 VanDerWaalsContact O-N 3.12Å; R24-D26 PolarHBondContact O-N 3.33Å
25	G	76.9	Confident	86.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.355	C	S	.	.			trans	-81.6	108	175	0	0	0	0	0	110.8	S15 H16 C17 L22	S15-G25 CarbonylContact C-O 3.46Å; H16-G25 CarbonylContact C-O 3.5Å; H16-G25 VanDerWaalsContact CA-O 3.23Å; H16-G25 WeakPolarHBondContact CA-O 3.48Å; H16-G25 PolarHBondContact N-O 3.41Å; C17-G25 PolarHBondContact N-O 2.94Å; L22-G25 PolarHBondContact O-N 3.5Å; L22-G25 VanDerWaalsContact O-N 3.17Å
26	D	83.8	Confident	87.4	Confident	89 Å²	89	67 Å²	67	48%	0.476	34%	0.342	S	S	.	.			trans	-85.7	144.7	176.6	-66.3	-38.2	0	0	0	112.2	R24 S65 C66	R24-D26 PolarHBondContact O-N 3.33Å; D26-S65 WeakPolarHBondContact O-CA 3.5Å; D26-C66 PolarHBondContact O-N 3.48Å; D26-C66 VanDerWaalsContact O-N 3.13Å
27	R	87	Confident	88	Confident	73 Å²	73	61.8 Å²	61.8	28%	0.275	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.3	170	-177.8	-176.8	63.1	163.4	-3.8	109.9	Q14	Q14-R27 PolarHBondContact N-O 3.31Å; Q14-R27 PolarHBondContact O-N 3.04Å
28	S	91.5	Very high	88.4	Confident	7 Å²	7	62.4 Å²	62.4	5%	0.049	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141	172.6	-59.8	0	0	0	0	111.2	Q12 S13 V61 S65	Q12-S28 CarbonylContact O-C 3.49Å; Q12-S28 WeakPolarHBondContact O-CA 3.26Å; S13-S28 PolarHBondContact OG-OG 3.41Å; S28-V61 PolarHBondContact O-N 3.45Å; S28-S65 PolarHBondContact N-OG 3.43Å
29	N	94.5	Very high	89	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.059	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.5	173.9	-54.8	-89.1	0	0	0	109.6	Q12 K59 P60	Q12-N29 PolarHBondContact N-O 2.77Å; Q12-N29 PolarHBondContact O-N 3.08Å; N29-K59 CarbonylContact C-O 3.57Å; N29-K59 VanDerWaalsContact CA-O 3.26Å; N29-K59 WeakPolarHBondContact CA-O 3.36Å; N29-P60 VanDerWaalsContact OD1-CA 3.26Å; N29-P60 WeakPolarHBondContact OD1-CA 3.31Å
30	Y	97.2	Very high	89.3	Confident	85 Å²	85	59.1 Å²	59.1	33%	0.333	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	141.7	155.5	-64.2	-67.4	0	0	0	109.1	Y8 G10 L11 Y58 K59 V61	Y8-Y30 WeakPolarHBondContact OH-CD1 3.48Å; G10-Y30 WeakPolarHBondContact O-CA 3.38Å; L11-Y30 HydrophobicContact CB-CD1 4.17Å; L11-Y30 HydrophobicContact CB-CE1 4.01Å; L11-Y30 HydrophobicContact CD1-CD1 4.16Å; L11-Y30 HydrophobicContact CD1-CE1 3.96Å; Y30-Y58 CarbonylContact O-C 3.56Å; Y30-Y58 WeakPolarHBondContact O-CA 3.03Å; Y30-K59 PolarHBondContact N-O 2.94Å; Y30-K59 PolarHBondContact O-N 2.96Å; Y30-V61 HydrophobicContact CD2-CG2 3.76Å; Y30-V61 HydrophobicContact CE2-CG2 3.56Å
31	G	97.8	Very high	89.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.7	-178.9	0	0	0	0	0	112.7	Y8 L9 G10 Y56 C57	Y8-G31 VanDerWaalsContact CD2-O 3.31Å; Y8-G31 WeakPolarHBondContact CD2-O 3.45Å; L9-G31 PolarHBondContact N-O 3.28Å; G10-G31 PolarHBondContact O-N 2.95Å; G31-Y56 WeakPolarHBondContact CA-OH 3.12Å; G31-C57 CarbonylContact C-O 3.56Å; G31-C57 WeakPolarHBondContact CA-O 3.38Å
32	M	97.9	Very high	90.7	Very high	17 Å²	17	53.8 Å²	53.8	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.5	164.5	67.4	176.3	73.7	0	0	110.4	V6 Q7 L34 L45 W50 C57	V6-M32 HydrophobicContact CB-SD 4.32Å; V6-M32 HydrophobicContact CG1-SD 4.4Å; Q7-M32 CarbonylContact O-C 3.6Å; Q7-M32 WeakPolarHBondContact O-CA 3.43Å; Q7-M32 WeakPolarHBondContact O-CB 3.48Å; M32-L34 HydrophobicContact CG-CD2 3.87Å; M32-L34 HydrophobicContact SD-CD2 3.71Å; M32-L45 HydrophobicContact CE-CD2 4.36Å; M32-L45 HydrophobicContact SD-CD1 4.31Å; M32-W50 HydrophobicContact CE-CD2 3.93Å; M32-W50 HydrophobicContact CE-CE3 3.75Å; M32-W50 HydrophobicContact CE-CH2 3.41Å; M32-W50 VanDerWaalsContact CE-CH2 3.41Å; M32-W50 HydrophobicContact CE-CZ2 3.59Å; M32-W50 HydrophobicContact CE-CZ3 3.5Å; M32-W50 HydrophobicContact CG-CZ3 4.24Å; M32-C57 HydrophobicContact CG-CB 3.6Å; M32-C57 PolarHBondContact N-O 2.93Å; M32-C57 PolarHBondContact O-N 2.77Å; M32-C57 HydrophobicContact SD-CB 4.31Å
33	W	98.2	Very high	91.7	Very high	97 Å²	97	49.5 Å²	49.5	37%	0.367	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.7	170.2	-167.8	-101.3	0	0	0	110.3	V6 Q7 L9 H35 L55 Y56	V6-W33 CarbonylContact C-O 3.58Å; V6-W33 VanDerWaalsContact CA-O 3.3Å; V6-W33 WeakPolarHBondContact CA-O 3.48Å; Q7-W33 HydrophobicContact CB-CB 4.29Å; Q7-W33 PolarHBondContact N-O 3.36Å; Q7-W33 PolarHBondContact O-N 2.91Å; L9-W33 HydrophobicContact CD1-CB 4.21Å; W33-H35 AromaticContact CD1-CD2 3.87Å; W33-H35 AromaticContact CD1-CE1 3.51Å; W33-H35 AromaticContact CD1-CG 3.95Å; W33-H35 AromaticContact CD1-ND1 3.72Å; W33-H35 AromaticContact CD1-NE2 3.58Å; W33-H35 AromaticContact NE1-CE1 3.94Å; W33-H35 AromaticContact NE1-ND1 3.92Å; W33-L55 HydrophobicContact CD2-CB 4.25Å; W33-L55 HydrophobicContact CE3-CB 4.47Å; W33-L55 HydrophobicContact CH2-CB 3.89Å; W33-L55 HydrophobicContact CZ2-CB 3.61Å; W33-L55 HydrophobicContact CZ2-CD1 3.8Å; W33-L55 HydrophobicContact CZ2-CG 4.3Å; W33-L55 HydrophobicContact CZ3-CB 4.31Å; W33-Y56 HydrophobicContact CE3-CD2 4.41Å
34	L	97.4	Very high	93.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	94	-177.8	-54	-176.9	0	0	0	109.1	V6 M32 R36 L37 R52 L55 C57 P275	V6-L34 HydrophobicContact CB-CD2 4.24Å; V6-L34 HydrophobicContact CG1-CD2 3.52Å; M32-L34 HydrophobicContact CG-CD2 3.87Å; M32-L34 HydrophobicContact SD-CD2 3.71Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-L37 HydrophobicContact CD1-CD2 3.67Å; L34-L37 HydrophobicContact CD2-CD2 4.1Å; L34-L37 HydrophobicContact CG-CD2 4.46Å; L34-R52 HydrophobicContact CD1-CB 4.45Å; L34-L55 WeakPolarHBondContact CB-O 3.43Å; L34-L55 PolarHBondContact N-O 3.17Å; L34-C57 HydrophobicContact CD1-CB 3.67Å; L34-C57 HydrophobicContact CD2-CB 3.87Å; L34-C57 HydrophobicContact CG-CB 3.74Å; L34-P275 HydrophobicContact CB-CB 3.67Å; L34-P275 HydrophobicContact CB-CG 4.06Å; L34-P275 HydrophobicContact CD1-CB 4.29Å; L34-P275 HydrophobicContact CD1-CG 3.75Å
35	H	96	Very high	94.4	Very high	105 Å²	105	39 Å²	39	49%	0.486	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-37.6	173.8	-65.1	-82.6	0	0	0	111.3	I5 W33	I5-H35 HydrophobicContact CB-CB 4.19Å; I5-H35 HydrophobicContact CG2-CB 4.06Å; I5-H35 WeakPolarHBondContact O-CB 3.37Å; I5-H35 PolarHBondContact O-N 3.1Å; W33-H35 AromaticContact CD1-CD2 3.87Å; W33-H35 AromaticContact CD1-CE1 3.51Å; W33-H35 AromaticContact CD1-CG 3.95Å; W33-H35 AromaticContact CD1-ND1 3.72Å; W33-H35 AromaticContact CD1-NE2 3.58Å; W33-H35 AromaticContact NE1-CE1 3.94Å; W33-H35 AromaticContact NE1-ND1 3.92Å
36	R	95.1	Very high	95.4	Very high	107 Å²	107	39 Å²	39	40%	0.404	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	142.7	172.9	-177.2	178.4	-70.3	178.7	-2.2	108.6	M3 S4 I5 L34	M3-R36 WeakPolarHBondContact O-CD 3.47Å; S4-R36 CarbonylContact C-O 3.56Å; S4-R36 WeakPolarHBondContact CA-O 3.36Å; I5-R36 CarbonylContact C-O 3.48Å; I5-R36 PolarHBondContact N-O 3.29Å; I5-R36 PolarHBondContact O-N 3.07Å; I5-R36 VanDerWaalsContact O-N 3.13Å; I5-R36 VanDerWaalsContact O-O 3.1Å; L34-R36 VanDerWaalsContact C-N 3.32Å
37	L	96.1	Very high	96	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	17%	0.167	C	C	.	.			trans	-145.6	139.8	177.3	-167	63.6	0	0	0	109.2	V6 L34 D41 Y42 L45 P275 F276	V6-L37 HydrophobicContact CG1-CD1 4.16Å; L34-L37 HydrophobicContact CD1-CD2 3.67Å; L34-L37 HydrophobicContact CD2-CD2 4.1Å; L34-L37 HydrophobicContact CG-CD2 4.46Å; L37-D41 HydrophobicContact CD1-CB 3.8Å; L37-D41 HydrophobicContact CG-CB 4.42Å; L37-Y42 HydrophobicContact CD2-CD2 3.8Å; L37-Y42 HydrophobicContact CD2-CG 4.03Å; L37-L45 HydrophobicContact CD1-CD1 4.33Å; L37-L45 HydrophobicContact CD2-CD1 3.99Å; L37-P275 HydrophobicContact CB-CB 3.95Å; L37-P275 HydrophobicContact CB-CG 4.12Å; L37-P275 PolarHBondContact N-O 3.13Å; L37-F276 HydrophobicContact CB-CD1 4.34Å; L37-F276 HydrophobicContact CB-CE1 4.21Å; L37-F276 HydrophobicContact CD2-CE1 4.11Å; L37-F276 HydrophobicContact CG-CE1 4.32Å; L37-F276 WeakPolarHBondContact O-CD1 3.49Å
38	S	95.7	Very high	96.5	Very high	16 Å²	16	37 Å²	37	11%	0.112	17%	0.168	C	C	.	.			trans	-77.4	152.8	167.5	72.6	0	0	0	0	110.6	S4 S40 D41 Y42	S4-S38 PolarHBondContact OG-N 3.39Å; S38-S40 PolarHBondContact O-N 3.14Å; S38-D41 PolarHBondContact O-N 3.38Å; S38-D41 WeakPolarHBondContact OG-CB 3.41Å; S38-D41 PolarHBondContact OG-N 2.92Å; S38-D41 PolarHBondContact OG-OD2 3.11Å; S38-Y42 PolarHBondContact O-N 2.99Å
39	T	96.6	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-31.6	177.3	72.2	0	0	0	0	111.7	Y42 Q43 F276 E279 F289 L311	T39-Y42 PolarHBondContact O-N 3.18Å; T39-Q43 PolarHBondContact O-N 3.06Å; T39-F276 HydrophobicContact CG2-CB 4.12Å; T39-F276 HydrophobicContact CG2-CD1 4.15Å; T39-F276 HydrophobicContact CG2-CD2 4.33Å; T39-F276 HydrophobicContact CG2-CG 3.93Å; T39-E279 HydrophobicContact CG2-CG 4.48Å; T39-E279 PolarHBondContact N-OE1 2.95Å; T39-E279 VanDerWaalsContact OG1-CD 3.29Å; T39-E279 PolarHBondContact OG1-OE1 2.87Å; T39-E279 PolarHBondContact OG1-OE2 3.34Å; T39-F289 HydrophobicContact CG2-CB 3.69Å; T39-F289 WeakPolarHBondContact OG1-CB 3.48Å; T39-L311 HydrophobicContact CG2-CD2 4.35Å
40	S	95.6	Very high	96.9	Very high	57 Å²	57	38 Å²	38	40%	0.399	17%	0.171	S	C	.	.	H	α-helix	trans	-64.8	-42.3	173.5	-175.7	0	0	0	0	112.8	S38 Q43 K44	S38-S40 PolarHBondContact O-N 3.14Å; S40-Q43 WeakPolarHBondContact O-CB 3.5Å; S40-Q43 PolarHBondContact O-N 3.1Å; S40-K44 PolarHBondContact O-N 3.16Å
41	D	96.5	Very high	96.9	Very high	24 Å²	24	34.3 Å²	34.3	13%	0.128	16%	0.157	C	C	.	.	H	α-helix	trans	-70.3	-37.1	175.9	-67.6	-33.8	0	0	0	111.5	S4 L37 S38 Q43 K44 L45 F420	S4-D41 WeakPolarHBondContact CB-OD2 3.47Å; S4-D41 PolarHBondContact OG-OD2 3.02Å; L37-D41 HydrophobicContact CD1-CB 3.8Å; L37-D41 HydrophobicContact CG-CB 4.42Å; S38-D41 PolarHBondContact O-N 3.38Å; S38-D41 WeakPolarHBondContact OG-CB 3.41Å; S38-D41 PolarHBondContact OG-N 2.92Å; S38-D41 PolarHBondContact OG-OD2 3.11Å; D41-Q43 VanDerWaalsContact C-N 3.29Å; D41-Q43 PolarHBondContact O-N 2.91Å; D41-K44 WeakPolarHBondContact O-CB 3.44Å; D41-K44 PolarHBondContact O-N 2.93Å; D41-K44 VanDerWaalsContact O-N 3.14Å; D41-K44 IonicContact OD1-NZ 3.12Å; D41-K44 PolarHBondContact OD1-NZ 3.42Å; D41-L45 WeakPolarHBondContact O-CG 3.32Å; D41-L45 PolarHBondContact O-N 3.28Å; D41-F420 HydrophobicContact CB-CZ 4.39Å
42	Y	97.6	Very high	96.8	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-34.8	173	-170.1	-126.1	0	0	0	112.6	L37 S38 T39 K44 L45 I46 R52 F276 L311	L37-Y42 HydrophobicContact CD2-CD2 3.8Å; L37-Y42 HydrophobicContact CD2-CG 4.03Å; S38-Y42 PolarHBondContact O-N 2.99Å; T39-Y42 PolarHBondContact O-N 3.18Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 3.36Å; Y42-L45 HydrophobicContact CD2-CB 4.25Å; Y42-L45 HydrophobicContact CD2-CD1 4.42Å; Y42-L45 PolarHBondContact O-N 3.17Å; Y42-L45 VanDerWaalsContact O-N 3.13Å; Y42-I46 WeakPolarHBondContact O-CG2 3.43Å; Y42-I46 PolarHBondContact O-N 3.41Å; Y42-R52 HydrophobicContact CE1-CG 4.41Å; Y42-R52 HydrophobicContact CE2-CB 4.16Å; Y42-R52 HydrophobicContact CE2-CG 4.17Å; Y42-R52 WeakPolarHBondContact OH-CG 3.44Å; Y42-R52 PolarHBondContact OH-N 3.15Å; Y42-F276 HydrophobicContact CD1-CE1 4.07Å; Y42-F276 HydrophobicContact CD1-CE2 4.23Å; Y42-F276 AromaticContact CD1-CZ 3.35Å; Y42-F276 HydrophobicContact CD1-CZ 3.35Å; Y42-F276 AromaticContact CE1-CZ 3.99Å; Y42-F276 HydrophobicContact CE1-CZ 3.99Å; Y42-F276 AromaticContact CG-CE1 3.93Å; Y42-F276 HydrophobicContact CG-CE1 3.93Å; Y42-F276 AromaticContact CG-CZ 3.66Å; Y42-F276 HydrophobicContact CG-CZ 3.66Å; Y42-L311 HydrophobicContact CD1-CD1 3.54Å; Y42-L311 HydrophobicContact CD1-CD2 3.88Å; Y42-L311 HydrophobicContact CD1-CG 4.35Å; Y42-L311 HydrophobicContact CE1-CD1 3.95Å
43	Q	97.4	Very high	96.7	Very high	15 Å²	15	34.5 Å²	34.5	7%	0.07	16%	0.16	C	C	.	.	H	α-helix	trans	-57	-44.2	171.3	-175.5	63	68	0	0	111	T39 S40 D41 L45 I46 D47 A313 C314	T39-Q43 PolarHBondContact O-N 3.06Å; S40-Q43 WeakPolarHBondContact O-CB 3.5Å; S40-Q43 PolarHBondContact O-N 3.1Å; D41-Q43 VanDerWaalsContact C-N 3.29Å; D41-Q43 PolarHBondContact O-N 2.91Å; Q43-L45 VanDerWaalsContact C-N 3.3Å; Q43-L45 PolarHBondContact O-N 3.46Å; Q43-I46 VanDerWaalsContact O-CG2 3.3Å; Q43-I46 WeakPolarHBondContact O-CG2 3.5Å; Q43-D47 VanDerWaalsContact NE2-CG 3.31Å; Q43-D47 PolarHBondContact NE2-OD1 3.23Å; Q43-D47 VanDerWaalsContact NE2-OD1 3.17Å; Q43-D47 PolarHBondContact NE2-OD2 2.99Å; Q43-D47 WeakPolarHBondContact O-CB 3.48Å; Q43-D47 PolarHBondContact O-N 3.49Å; Q43-D47 VanDerWaalsContact O-N 3.12Å; Q43-D47 VanDerWaalsContact O-OD2 3.07Å; Q43-A313 HydrophobicContact CG-CB 4.2Å; Q43-C314 PolarHBondContact OE1-SG 3.21Å
44	K	96.6	Very high	96.6	Very high	92 Å²	92	29.9 Å²	29.9	40%	0.4	14%	0.142	S	C	.	.	H	α-helix	trans	-64.3	-34.4	176.1	-61.4	168.7	-164.6	157.9	0	112.9	S40 D41 Y42 R48 F420	S40-K44 PolarHBondContact O-N 3.16Å; D41-K44 WeakPolarHBondContact O-CB 3.44Å; D41-K44 PolarHBondContact O-N 2.93Å; D41-K44 VanDerWaalsContact O-N 3.14Å; D41-K44 IonicContact OD1-NZ 3.12Å; D41-K44 PolarHBondContact OD1-NZ 3.42Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 3.36Å; K44-R48 PolarHBondContact O-NH1 2.99Å; K44-F420 HydrophobicContact CD-CE2 4.47Å
45	L	97.5	Very high	96.6	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.099	15%	0.152	C	C	.	.	H	α-helix	trans	-72.7	-48.8	178.6	-72.2	177.2	0	0	0	111.7	M32 L37 D41 Y42 Q43 D47 R48 G49 W50	M32-L45 HydrophobicContact CE-CD2 4.36Å; M32-L45 HydrophobicContact SD-CD1 4.31Å; L37-L45 HydrophobicContact CD1-CD1 4.33Å; L37-L45 HydrophobicContact CD2-CD1 3.99Å; D41-L45 WeakPolarHBondContact O-CG 3.32Å; D41-L45 PolarHBondContact O-N 3.28Å; Y42-L45 HydrophobicContact CD2-CB 4.25Å; Y42-L45 HydrophobicContact CD2-CD1 4.42Å; Y42-L45 PolarHBondContact O-N 3.17Å; Y42-L45 VanDerWaalsContact O-N 3.13Å; Q43-L45 VanDerWaalsContact C-N 3.3Å; Q43-L45 PolarHBondContact O-N 3.46Å; L45-D47 PolarHBondContact O-N 2.89Å; L45-R48 CarbonylContact O-C 3.55Å; L45-R48 WeakPolarHBondContact O-CA 3.4Å; L45-R48 PolarHBondContact O-N 2.93Å; L45-G49 PolarHBondContact O-N 2.95Å; L45-W50 HydrophobicContact CB-CB 3.88Å; L45-W50 HydrophobicContact CB-CG 4.16Å; L45-W50 HydrophobicContact CD2-CG 4.12Å; L45-W50 WeakPolarHBondContact O-CB 3.39Å; L45-W50 PolarHBondContact O-N 3.14Å; L45-W50 VanDerWaalsContact O-N 3.08Å
46	I	97.2	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-32.2	179.9	-166.3	177.3	0	0	0	111.9	Y42 Q43 R48 G49 W50 L311 Y357	Y42-I46 WeakPolarHBondContact O-CG2 3.43Å; Y42-I46 PolarHBondContact O-N 3.41Å; Q43-I46 VanDerWaalsContact O-CG2 3.3Å; Q43-I46 WeakPolarHBondContact O-CG2 3.5Å; I46-R48 PolarHBondContact O-N 3.39Å; I46-G49 PolarHBondContact O-N 2.92Å; I46-W50 WeakPolarHBondContact CA-O 3.38Å; I46-L311 HydrophobicContact CG2-CD1 4.23Å; I46-Y357 HydrophobicContact CD1-CD1 3.47Å; I46-Y357 VanDerWaalsContact CD1-CD1 3.47Å; I46-Y357 HydrophobicContact CD1-CE1 4.15Å; I46-Y357 HydrophobicContact CD1-CG 4.01Å; I46-Y357 HydrophobicContact CG1-CD1 3.67Å; I46-Y357 HydrophobicContact CG1-CE1 3.98Å; I46-Y357 HydrophobicContact CG2-CE1 4.25Å
47	D	97.1	Very high	96.9	Very high	39 Å²	39	24.7 Å²	24.7	21%	0.209	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.9	172.2	-69.1	-24	0	0	0	113.6	Q43 L45 Y357 L380	Q43-D47 VanDerWaalsContact NE2-CG 3.31Å; Q43-D47 PolarHBondContact NE2-OD1 3.23Å; Q43-D47 VanDerWaalsContact NE2-OD1 3.17Å; Q43-D47 PolarHBondContact NE2-OD2 2.99Å; Q43-D47 WeakPolarHBondContact O-CB 3.48Å; Q43-D47 PolarHBondContact O-N 3.49Å; Q43-D47 VanDerWaalsContact O-N 3.12Å; Q43-D47 VanDerWaalsContact O-OD2 3.07Å; L45-D47 PolarHBondContact O-N 2.89Å; D47-Y357 VanDerWaalsContact OD1-CZ 3.3Å; D47-Y357 PolarHBondContact OD1-OH 3.12Å; D47-L380 WeakPolarHBondContact O-CD1 3.2Å
48	R	96.4	Very high	96.9	Very high	79 Å²	79	26.6 Å²	26.6	30%	0.298	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	15.2	171.8	-69.6	176.6	171.9	72.3	8.3	112.9	K44 L45 I46 K59 F385 T413	K44-R48 PolarHBondContact O-NH1 2.99Å; L45-R48 CarbonylContact O-C 3.55Å; L45-R48 WeakPolarHBondContact O-CA 3.4Å; L45-R48 PolarHBondContact O-N 2.93Å; I46-R48 PolarHBondContact O-N 3.39Å; R48-K59 WeakPolarHBondContact O-CE 3.38Å; R48-F385 HydrophobicContact CB-CD1 4.05Å; R48-F385 HydrophobicContact CB-CE1 4.2Å; R48-F385 HydrophobicContact CB-CG 4.28Å; R48-F385 HydrophobicContact CG-CB 4.33Å; R48-F385 HydrophobicContact CG-CD1 4.26Å; R48-F385 HydrophobicContact CG-CD2 4.15Å; R48-F385 HydrophobicContact CG-CG 3.98Å; R48-F385 WeakPolarHBondContact O-CE1 3.32Å; R48-T413 PolarHBondContact NH2-O 3.03Å
49	G	96.3	Very high	97	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	14.1	173.7	0	0	0	0	0	116	L45 I46 V71	L45-G49 PolarHBondContact O-N 2.95Å; I46-G49 PolarHBondContact O-N 2.92Å; G49-V71 VanDerWaalsContact CA-CG2 3.49Å
50	W	97.6	Very high	96.8	Very high	34 Å²	34	28.5 Å²	28.5	13%	0.129	14%	0.136	C	C	.	.			trans	-74.6	151.2	166.4	-66.2	88.9	0	0	0	111.3	Y8 M32 L45 I46 Y58 K59	Y8-W50 HydrophobicContact CE2-CH2 4.46Å; M32-W50 HydrophobicContact CE-CD2 3.93Å; M32-W50 HydrophobicContact CE-CE3 3.75Å; M32-W50 HydrophobicContact CE-CH2 3.41Å; M32-W50 VanDerWaalsContact CE-CH2 3.41Å; M32-W50 HydrophobicContact CE-CZ2 3.59Å; M32-W50 HydrophobicContact CE-CZ3 3.5Å; M32-W50 HydrophobicContact CG-CZ3 4.24Å; L45-W50 HydrophobicContact CB-CB 3.88Å; L45-W50 HydrophobicContact CB-CG 4.16Å; L45-W50 HydrophobicContact CD2-CG 4.12Å; L45-W50 WeakPolarHBondContact O-CB 3.39Å; L45-W50 PolarHBondContact O-N 3.14Å; L45-W50 VanDerWaalsContact O-N 3.08Å; I46-W50 WeakPolarHBondContact CA-O 3.38Å; W50-Y58 CarbonylContact C-O 3.46Å; W50-Y58 WeakPolarHBondContact CA-O 3.46Å; W50-Y58 VanDerWaalsContact CE3-C 3.46Å; W50-K59 HydrophobicContact CD2-CB 3.66Å; W50-K59 HydrophobicContact CD2-CD 4.37Å; W50-K59 HydrophobicContact CE3-CB 3.67Å; W50-K59 HydrophobicContact CG-CB 4.19Å; W50-K59 HydrophobicContact CH2-CB 4.18Å; W50-K59 HydrophobicContact CZ2-CB 4.18Å; W50-K59 HydrophobicContact CZ2-CD 4.38Å; W50-K59 HydrophobicContact CZ3-CB 3.93Å
51	R	97.6	Very high	96.7	Very high	8 Å²	8	26.4 Å²	26.4	3%	0.03	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.3	177.5	-65.7	-66	-70	169.5	1.5	109.2	C57 Y58 S316 S317 Y360	R51-C57 CarbonylContact O-C 3.18Å; R51-C57 VanDerWaalsContact O-CA 3.27Å; R51-C57 WeakPolarHBondContact O-CA 3.4Å; R51-C57 PolarHBondContact O-SG 3.15Å; R51-Y58 HydrophobicContact CB-CD2 4.38Å; R51-Y58 HydrophobicContact CB-CE1 4.33Å; R51-Y58 HydrophobicContact CB-CE2 3.83Å; R51-Y58 PolarHBondContact N-O 3.41Å; R51-Y58 WeakPolarHBondContact O-CD1 3.4Å; R51-Y58 PolarHBondContact O-N 3.23Å; R51-S316 PolarHBondContact NH1-OG 3Å; R51-S317 PolarHBondContact NH2-O 3.47Å; R51-Y360 WeakPolarHBondContact CB-OH 3.26Å; R51-Y360 HydrophobicContact CG-CE1 3.9Å; R51-Y360 HydrophobicContact CG-CE2 4.13Å; R51-Y360 VanDerWaalsContact CG-CZ 3.45Å; R51-Y360 WeakPolarHBondContact CG-OH 3.26Å
52	R	97.2	Very high	96.5	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.011	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.8	-178.6	80.8	-174.2	-173.1	82.3	6.3	114.7	L34 Y42 G54 Y56 C57 P275 S291 D309 K318	L34-R52 HydrophobicContact CD1-CB 4.45Å; Y42-R52 HydrophobicContact CE1-CG 4.41Å; Y42-R52 HydrophobicContact CE2-CB 4.16Å; Y42-R52 HydrophobicContact CE2-CG 4.17Å; Y42-R52 WeakPolarHBondContact OH-CG 3.44Å; Y42-R52 PolarHBondContact OH-N 3.15Å; R52-G54 PolarHBondContact NH1-O 3.01Å; R52-Y56 CarbonylContact C-O 3.55Å; R52-Y56 WeakPolarHBondContact CA-O 3.48Å; R52-Y56 WeakPolarHBondContact CB-O 3.41Å; R52-C57 HydrophobicContact CB-CB 4.22Å; R52-P275 VanDerWaalsContact NH1-CD 3.31Å; R52-S291 PolarHBondContact NH2-OG 3.28Å; R52-D309 IonicContact CZ-OD1 2.61Å; R52-D309 IonicContact CZ-OD2 2.92Å; R52-D309 VanDerWaalsContact CZ-OD2 3.28Å; R52-D309 IonicContact NE-OD1 2.84Å; R52-D309 IonicContact NE-OD2 3.65Å; R52-D309 PolarHBondContact NE-OD2 2.93Å; R52-D309 IonicContact NH2-OD1 3.91Å; R52-D309 PolarHBondContact NH2-OD1 3.15Å; R52-D309 IonicContact NH2-OD2 2.83Å; R52-D309 PolarHBondContact NH2-OD2 3.04Å; R52-K318 WeakPolarHBondContact O-CE 3.17Å; R52-K318 WeakPolarHBondContact O-CG 3.49Å
53	S	95.3	Very high	96	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.133	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	96.9	173.6	-76.7	0	0	0	0	108.2	L55 Y56 F270	S53-L55 PolarHBondContact O-N 3.15Å; S53-Y56 PolarHBondContact N-O 3.17Å; S53-Y56 PolarHBondContact O-N 3.12Å; S53-Y56 VanDerWaalsContact O-N 3.09Å; S53-F270 CarbonylContact C-O 3.46Å; S53-F270 WeakPolarHBondContact OG-CE2 3.5Å
54	G	96.1	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	-123.7	-172.6	0	0	0	0	0	109.9	R52 S269 F270 V273	R52-G54 PolarHBondContact NH1-O 3.01Å; G54-S269 WeakPolarHBondContact CA-O 3.48Å; G54-F270 PolarHBondContact N-O 3.23Å; G54-F270 VanDerWaalsContact N-O 3.07Å; G54-V273 WeakPolarHBondContact CA-O 3.45Å
55	L	97.8	Very high	95.2	Very high	38 Å²	38	34.1 Å²	34.1	20%	0.199	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.7	175.6	-56.5	-177.4	0	0	0	113.4	W33 L34 S53 V273 P275	W33-L55 HydrophobicContact CD2-CB 4.25Å; W33-L55 HydrophobicContact CE3-CB 4.47Å; W33-L55 HydrophobicContact CH2-CB 3.89Å; W33-L55 HydrophobicContact CZ2-CB 3.61Å; W33-L55 HydrophobicContact CZ2-CD1 3.8Å; W33-L55 HydrophobicContact CZ2-CG 4.3Å; W33-L55 HydrophobicContact CZ3-CB 4.31Å; L34-L55 WeakPolarHBondContact CB-O 3.43Å; L34-L55 PolarHBondContact N-O 3.17Å; S53-L55 PolarHBondContact O-N 3.15Å; L55-V273 HydrophobicContact CD1-CG1 4.01Å; L55-V273 HydrophobicContact CD2-CG1 3.83Å; L55-V273 HydrophobicContact CG-CG1 3.81Å; L55-P275 HydrophobicContact CD2-CB 3.9Å; L55-P275 HydrophobicContact CD2-CG 4.49Å
56	Y	97.8	Very high	94.7	Very high	64 Å²	64	35.7 Å²	35.7	25%	0.251	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.5	176.4	-176.3	-107.8	0	0	0	111	L9 G31 W33 R52 S53 Y58	L9-Y56 HydrophobicContact CD1-CD2 4.2Å; L9-Y56 HydrophobicContact CD1-CE2 3.87Å; G31-Y56 WeakPolarHBondContact CA-OH 3.12Å; W33-Y56 HydrophobicContact CE3-CD2 4.41Å; R52-Y56 CarbonylContact C-O 3.55Å; R52-Y56 WeakPolarHBondContact CA-O 3.48Å; R52-Y56 WeakPolarHBondContact CB-O 3.41Å; S53-Y56 PolarHBondContact N-O 3.17Å; S53-Y56 PolarHBondContact O-N 3.12Å; S53-Y56 VanDerWaalsContact O-N 3.09Å; Y56-Y58 AromaticContact CD1-CD1 3.85Å; Y56-Y58 HydrophobicContact CD1-CD1 3.85Å; Y56-Y58 AromaticContact CE1-CD1 3.95Å; Y56-Y58 HydrophobicContact CE1-CD1 3.95Å; Y56-Y58 HydrophobicContact CE1-CG 4.19Å
57	C	98.2	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.8	176.3	-170.1	0	0	0	0	110.1	G31 M32 L34 R51 R52	G31-C57 CarbonylContact C-O 3.56Å; G31-C57 WeakPolarHBondContact CA-O 3.38Å; M32-C57 HydrophobicContact CG-CB 3.6Å; M32-C57 PolarHBondContact N-O 2.93Å; M32-C57 PolarHBondContact O-N 2.77Å; M32-C57 HydrophobicContact SD-CB 4.31Å; L34-C57 HydrophobicContact CD1-CB 3.67Å; L34-C57 HydrophobicContact CD2-CB 3.87Å; L34-C57 HydrophobicContact CG-CB 3.74Å; R51-C57 CarbonylContact O-C 3.18Å; R51-C57 VanDerWaalsContact O-CA 3.27Å; R51-C57 WeakPolarHBondContact O-CA 3.4Å; R51-C57 PolarHBondContact O-SG 3.15Å; R52-C57 HydrophobicContact CB-CB 4.22Å
58	Y	97.3	Very high	94.2	Very high	45 Å²	45	34.7 Å²	34.7	18%	0.176	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.7	-171	58.9	-88	0	0	0	112.7	Y30 W50 R51 Y56 Y360	Y30-Y58 CarbonylContact O-C 3.56Å; Y30-Y58 WeakPolarHBondContact O-CA 3.03Å; W50-Y58 CarbonylContact C-O 3.46Å; W50-Y58 WeakPolarHBondContact CA-O 3.46Å; W50-Y58 VanDerWaalsContact CE3-C 3.46Å; R51-Y58 HydrophobicContact CB-CD2 4.38Å; R51-Y58 HydrophobicContact CB-CE1 4.33Å; R51-Y58 HydrophobicContact CB-CE2 3.83Å; R51-Y58 PolarHBondContact N-O 3.41Å; R51-Y58 WeakPolarHBondContact O-CD1 3.4Å; R51-Y58 PolarHBondContact O-N 3.23Å; Y56-Y58 AromaticContact CD1-CD1 3.85Å; Y56-Y58 HydrophobicContact CD1-CD1 3.85Å; Y56-Y58 AromaticContact CE1-CD1 3.95Å; Y56-Y58 HydrophobicContact CE1-CD1 3.95Å; Y56-Y58 HydrophobicContact CE1-CG 4.19Å; Y58-Y360 HydrophobicContact CE2-CE2 4.13Å; Y58-Y360 WeakPolarHBondContact CE2-OH 3.42Å
59	K	96.4	Very high	94	Very high	42 Å²	42	31.4 Å²	31.4	18%	0.183	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116.1	172.6	179.9	173.6	-177.3	-72.9	0	109.7	N29 Y30 R48 W50	N29-K59 CarbonylContact C-O 3.57Å; N29-K59 VanDerWaalsContact CA-O 3.26Å; N29-K59 WeakPolarHBondContact CA-O 3.36Å; Y30-K59 PolarHBondContact N-O 2.94Å; Y30-K59 PolarHBondContact O-N 2.96Å; R48-K59 WeakPolarHBondContact O-CE 3.38Å; W50-K59 HydrophobicContact CD2-CB 3.66Å; W50-K59 HydrophobicContact CD2-CD 4.37Å; W50-K59 HydrophobicContact CE3-CB 3.67Å; W50-K59 HydrophobicContact CG-CB 4.19Å; W50-K59 HydrophobicContact CH2-CB 4.18Å; W50-K59 HydrophobicContact CZ2-CB 4.18Å; W50-K59 HydrophobicContact CZ2-CD 4.38Å; W50-K59 HydrophobicContact CZ3-CB 3.93Å
60	P	93.9	Very high	94	Very high	13 Å²	13	31.3 Å²	31.3	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.1	176.8	-24.1	33.6	0	0	0	112.6	N29 L62 A69 Y360	N29-P60 VanDerWaalsContact OD1-CA 3.26Å; N29-P60 WeakPolarHBondContact OD1-CA 3.31Å; P60-L62 HydrophobicContact CB-CD2 4.23Å; P60-A69 HydrophobicContact CB-CB 4.31Å; P60-A69 HydrophobicContact CG-CB 4.1Å; P60-Y360 WeakPolarHBondContact CD-OH 3.17Å; P60-Y360 HydrophobicContact CG-CE1 4.13Å; P60-Y360 HydrophobicContact CG-CE2 4.35Å; P60-Y360 WeakPolarHBondContact CG-OH 3.5Å
61	V	93.1	Very high	94	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.079	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	105.3	168.5	-174.2	0	0	0	0	107.1	L11 S28 Y30 E63 R64 S65	L11-V61 HydrophobicContact CD1-CG2 3.78Å; S28-V61 PolarHBondContact O-N 3.45Å; Y30-V61 HydrophobicContact CD2-CG2 3.76Å; Y30-V61 HydrophobicContact CE2-CG2 3.56Å; V61-E63 PolarHBondContact O-N 2.92Å; V61-R64 HydrophobicContact CB-CB 4.34Å; V61-R64 HydrophobicContact CG1-CB 4.06Å; V61-R64 HydrophobicContact CG1-CG 3.89Å; V61-R64 PolarHBondContact O-N 3.44Å; V61-S65 WeakPolarHBondContact O-CB 3.08Å; V61-S65 PolarHBondContact O-N 3.14Å; V61-S65 PolarHBondContact O-OG 2.83Å
62	L	91.4	Very high	94	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.063	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-69.4	-36.3	-166.8	-61.1	-172.6	0	0	0	112.4	P60 R64 S65 P68 A69 Y70 P382 T401	P60-L62 HydrophobicContact CB-CD2 4.23Å; L62-R64 PolarHBondContact O-N 2.87Å; L62-S65 PolarHBondContact O-N 3.38Å; L62-P68 HydrophobicContact CB-CB 4.34Å; L62-P68 HydrophobicContact CD2-CB 4.14Å; L62-A69 VanDerWaalsContact CD2-N 3.26Å; L62-Y70 HydrophobicContact CD1-CD1 3.92Å; L62-Y70 HydrophobicContact CD1-CE1 3.56Å; L62-P382 HydrophobicContact CD1-CB 3.6Å; L62-P382 HydrophobicContact CD1-CG 3.24Å; L62-T401 HydrophobicContact CB-CG2 4.3Å
63	E	87.9	Confident	94.1	Very high	123 Å²	123	30.8 Å²	30.8	58%	0.575	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-67.8	-23.9	-179.9	-55.8	77.3	-166.5	0	0	112.3	V61 C403	V61-E63 PolarHBondContact O-N 2.92Å; E63-C403 PolarHBondContact OE1-SG 2.88Å; E63-C403 VanDerWaalsContact OE1-SG 3.33Å
64	R	88.2	Confident	94.3	Very high	149 Å²	149	29.9 Å²	29.9	56%	0.562	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-104.5	15	-179.7	-60.3	-173.8	-177.8	-144.3	0.6	112.9	V61 L62	V61-R64 HydrophobicContact CB-CB 4.34Å; V61-R64 HydrophobicContact CG1-CB 4.06Å; V61-R64 HydrophobicContact CG1-CG 3.89Å; V61-R64 PolarHBondContact O-N 3.44Å; L62-R64 PolarHBondContact O-N 2.87Å
65	S	88.8	Confident	94.4	Very high	12 Å²	12	32.1 Å²	32.1	8%	0.084	15%	0.152	C	C	.	.			trans	-126.3	125.7	-177.4	-60.6	0	0	0	0	110.7	D26 S28 V61 L62 C67	D26-S65 WeakPolarHBondContact O-CA 3.5Å; S28-S65 PolarHBondContact N-OG 3.43Å; V61-S65 WeakPolarHBondContact O-CB 3.08Å; V61-S65 PolarHBondContact O-N 3.14Å; V61-S65 PolarHBondContact O-OG 2.83Å; L62-S65 PolarHBondContact O-N 3.38Å; S65-C67 PolarHBondContact O-N 3.19Å; S65-C67 VanDerWaalsContact O-N 3.13Å
66	C	87.9	Confident	94.4	Very high	51 Å²	51	30.3 Å²	30.3	35%	0.345	14%	0.142	S	C	.	.	S	Bend	trans	-65.1	-18.2	178.8	63.1	0	0	0	0	113.5	C17 C20 L22 D26	C17-C66 WeakPolarHBondContact CB-SG 3.35Å; C17-C66 PolarHBondContact SG-SG 2.79Å; C20-C66 PolarHBondContact SG-SG 2.89Å; L22-C66 HydrophobicContact CD1-CB 4.49Å; D26-C66 PolarHBondContact O-N 3.48Å; D26-C66 VanDerWaalsContact O-N 3.13Å
67	C	90.8	Very high	94.3	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.041	15%	0.149	C	C	.	.	S	Bend	trans	-127.1	85.4	176.4	-73.6	0	0	0	0	109.5	Y19 S65 A69 I362 S364	Y19-C67 HydrophobicContact CD2-CB 4.11Å; Y19-C67 HydrophobicContact CG-CB 4.37Å; S65-C67 PolarHBondContact O-N 3.19Å; S65-C67 VanDerWaalsContact O-N 3.13Å; C67-A69 PolarHBondContact O-N 3.42Å; C67-I362 HydrophobicContact CB-CG2 3.9Å; C67-S364 PolarHBondContact SG-OG 3.2Å
68	P	91.8	Very high	94.2	Very high	13 Å²	13	34.3 Å²	34.3	8%	0.084	17%	0.173	C	C	.	.			trans	-58.2	124.5	-177.6	-25.3	34	0	0	0	112.2	L62 Y70 T401	L62-P68 HydrophobicContact CB-CB 4.34Å; L62-P68 HydrophobicContact CD2-CB 4.14Å; P68-Y70 HydrophobicContact CB-CD2 4.37Å; P68-Y70 HydrophobicContact CB-CE2 3.59Å; P68-T401 HydrophobicContact CB-CG2 4.02Å; P68-T401 HydrophobicContact CG-CG2 3.63Å; P68-T401 VanDerWaalsContact CG-OG1 3.25Å; P68-T401 WeakPolarHBondContact CG-OG1 3.3Å
69	A	93.7	Very high	94.2	Very high	9 Å²	9	32.6 Å²	32.6	7%	0.074	17%	0.166	C	C	.	.			trans	-99	87.8	-175.3	0	0	0	0	0	112	P60 L62 C67 Y360 I362	P60-A69 HydrophobicContact CB-CB 4.31Å; P60-A69 HydrophobicContact CG-CB 4.1Å; L62-A69 VanDerWaalsContact CD2-N 3.26Å; C67-A69 PolarHBondContact O-N 3.42Å; A69-Y360 HydrophobicContact CB-CD1 3.85Å; A69-Y360 HydrophobicContact CB-CD2 4.01Å; A69-Y360 HydrophobicContact CB-CE1 4.26Å; A69-Y360 HydrophobicContact CB-CE2 4.41Å; A69-Y360 HydrophobicContact CB-CG 3.69Å; A69-Y360 WeakPolarHBondContact O-CD1 3.35Å; A69-I362 HydrophobicContact CB-CD1 4.23Å; A69-I362 HydrophobicContact CB-CG1 4.37Å
70	Y	96	Very high	94	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.4	179.4	-62.3	-79.6	0	0	0	111.2	L62 P68 I72 Y360 Y361 P363 L379 P382 L397 C402 F405	L62-Y70 HydrophobicContact CD1-CD1 3.92Å; L62-Y70 HydrophobicContact CD1-CE1 3.56Å; P68-Y70 HydrophobicContact CB-CD2 4.37Å; P68-Y70 HydrophobicContact CB-CE2 3.59Å; Y70-I72 PolarHBondContact O-N 2.9Å; Y70-Y360 CarbonylContact O-C 3.56Å; Y70-Y360 WeakPolarHBondContact O-CA 3.47Å; Y70-Y361 PolarHBondContact N-O 2.92Å; Y70-Y361 VanDerWaalsContact N-O 3.09Å; Y70-Y361 PolarHBondContact O-N 2.88Å; Y70-P363 HydrophobicContact CD2-CG 4.45Å; Y70-P363 HydrophobicContact CE2-CG 4.38Å; Y70-L379 HydrophobicContact CG-CD1 4.48Å; Y70-P382 HydrophobicContact CD1-CG 4.05Å; Y70-P382 HydrophobicContact CE1-CG 3.83Å; Y70-L397 HydrophobicContact CD2-CD1 4.29Å; Y70-L397 HydrophobicContact CD2-CD2 4.24Å; Y70-L397 HydrophobicContact CE1-CD2 4.05Å; Y70-L397 HydrophobicContact CE2-CD1 4.21Å; Y70-L397 HydrophobicContact CE2-CD2 3.39Å; Y70-L397 HydrophobicContact CE2-CG 4.48Å; Y70-L397 VanDerWaalsContact OH-CD2 3.23Å; Y70-L397 WeakPolarHBondContact OH-CD2 3.19Å; Y70-C402 WeakPolarHBondContact CE1-O 3.31Å; Y70-C402 PolarHBondContact OH-N 2.9Å; Y70-C402 PolarHBondContact OH-O 3.25Å; Y70-F405 AromaticContact CD1-CE2 3.67Å; Y70-F405 HydrophobicContact CD1-CE2 3.67Å; Y70-F405 AromaticContact CD1-CZ 3.53Å; Y70-F405 HydrophobicContact CD1-CZ 3.53Å; Y70-F405 HydrophobicContact CE1-CE1 4.46Å; Y70-F405 AromaticContact CE1-CE2 3.99Å; Y70-F405 HydrophobicContact CE1-CE2 3.99Å; Y70-F405 AromaticContact CE1-CZ 3.51Å; Y70-F405 HydrophobicContact CE1-CZ 3.51Å; Y70-F405 HydrophobicContact CG-CE2 4.49Å; Y70-F405 HydrophobicContact CG-CZ 4.24Å
71	V	97.4	Very high	93.9	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.055	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.6	178.7	-178	0	0	0	0	108.8	G49 Y357 Y360 L379 L380 W387	G49-V71 VanDerWaalsContact CA-CG2 3.49Å; V71-Y357 HydrophobicContact CG1-CD1 4.5Å; V71-Y360 HydrophobicContact CG2-CD1 4.04Å; V71-Y360 HydrophobicContact CG2-CE1 3.77Å; V71-L379 WeakPolarHBondContact O-CA 3.37Å; V71-L380 HydrophobicContact CB-CB 3.89Å; V71-L380 HydrophobicContact CB-CD2 4.25Å; V71-L380 HydrophobicContact CG2-CD2 4.24Å; V71-L380 PolarHBondContact O-N 3.46Å; V71-W387 HydrophobicContact CG1-CH2 3.79Å; V71-W387 HydrophobicContact CG1-CZ3 4.26Å
72	I	98.2	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.1	-179.4	-177	171.3	0	0	0	111	Y70 M358 G359 K371 D378 L379 I390	Y70-I72 PolarHBondContact O-N 2.9Å; I72-M358 HydrophobicContact CG2-CB 4.07Å; I72-M358 PolarHBondContact O-N 3.03Å; I72-M358 VanDerWaalsContact O-N 3.09Å; I72-G359 WeakPolarHBondContact CG2-O 3.2Å; I72-G359 PolarHBondContact N-O 2.86Å; I72-K371 HydrophobicContact CD1-CB 4.15Å; I72-K371 HydrophobicContact CG2-CB 4.33Å; I72-K371 HydrophobicContact CG2-CD 4.4Å; I72-D378 WeakPolarHBondContact CA-O 3.38Å; I72-L379 HydrophobicContact CB-CD2 3.65Å; I72-L379 HydrophobicContact CD1-CD2 4.1Å; I72-L379 HydrophobicContact CG1-CD2 3.86Å; I72-I390 HydrophobicContact CD1-CD1 3.86Å
73	R	98.4	Very high	93.9	Very high	26 Å²	26	47.9 Å²	47.9	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.9	169.4	73.3	-179.8	-173.8	-177.1	0	110.9	Y355 Y356 Y357 S377 D378 W387	R73-Y355 HydrophobicContact CG-CD1 4.37Å; R73-Y356 CarbonylContact C-O 3.54Å; R73-Y356 WeakPolarHBondContact CA-O 3.48Å; R73-Y357 HydrophobicContact CB-CD1 4.37Å; R73-Y357 HydrophobicContact CB-CD2 3.73Å; R73-Y357 HydrophobicContact CB-CE1 4.4Å; R73-Y357 HydrophobicContact CB-CE2 3.72Å; R73-Y357 HydrophobicContact CB-CG 4.06Å; R73-Y357 HydrophobicContact CG-CE2 4.44Å; R73-S377 CarbonylContact O-C 3.52Å; R73-S377 WeakPolarHBondContact O-CA 3.43Å; R73-S377 WeakPolarHBondContact O-CB 3.3Å; R73-D378 HydrophobicContact CG-CB 4.2Å; R73-D378 IonicContact CZ-OD2 3Å; R73-D378 PolarHBondContact N-O 3.38Å; R73-D378 VanDerWaalsContact N-O 3.12Å; R73-D378 IonicContact NE-OD2 2.82Å; R73-D378 PolarHBondContact NE-OD2 3.03Å; R73-D378 IonicContact NH2-OD2 3.06Å; R73-D378 PolarHBondContact NH2-OD2 2.8Å; R73-D378 PolarHBondContact O-N 3.16Å; R73-W387 HydrophobicContact CB-CH2 4.18Å; R73-W387 HydrophobicContact CB-CZ3 4.06Å; R73-W387 HydrophobicContact CG-CD2 4.32Å; R73-W387 HydrophobicContact CG-CE3 3.79Å; R73-W387 HydrophobicContact CG-CH2 4.04Å; R73-W387 HydrophobicContact CG-CZ3 3.63Å; R73-W387 VanDerWaalsContact CZ-CD2 3.45Å; R73-W387 VanDerWaalsContact NH1-CD1 3.32Å; R73-W387 VanDerWaalsContact NH1-NE1 3.17Å; R73-W387 VanDerWaalsContact NH2-CG 3.25Å
74	C	98.6	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.7	172.6	178.8	0	0	0	0	109.8	A76 Y355 Y356 M358	C74-A76 PolarHBondContact O-N 2.96Å; C74-A76 VanDerWaalsContact O-N 3.15Å; C74-Y355 WeakPolarHBondContact O-CA 3.4Å; C74-Y356 HydrophobicContact CB-CD1 4.22Å; C74-Y356 PolarHBondContact N-O 2.92Å; C74-Y356 PolarHBondContact O-N 3.37Å; C74-M358 HydrophobicContact CB-SD 4.04Å
75	H	98.4	Very high	94.4	Very high	47 Å²	47	36.6 Å²	36.6	22%	0.218	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	89.8	170.3	-69	-103.1	0	0	0	108.9	L77 S78 F79 Y355 P376 D378	H75-L77 VanDerWaalsContact C-N 3.29Å; H75-L77 PolarHBondContact O-N 3.48Å; H75-S78 PolarHBondContact O-N 3.15Å; H75-F79 PolarHBondContact O-N 3Å; H75-Y355 AromaticContact CE1-CE1 3.67Å; H75-Y355 AromaticContact ND1-CE1 3.57Å; H75-P376 HydrophobicContact CB-CB 4.39Å; H75-P376 HydrophobicContact CB-CG 3.95Å; H75-P376 PolarHBondContact N-O 3.12Å; H75-D378 IonicContact CD2-OD1 3.02Å; H75-D378 IonicContact CD2-OD2 3.5Å; H75-D378 IonicContact CE1-OD2 3.76Å; H75-D378 IonicContact NE2-OD1 3.63Å; H75-D378 PolarHBondContact NE2-OD1 2.91Å; H75-D378 IonicContact NE2-OD2 3.52Å; H75-D378 PolarHBondContact NE2-OD2 2.84Å
76	A	98.2	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.7	-35.4	-169.4	0	0	0	0	0	113.1	C74 S78 F79 I340 T343 R344 R354	C74-A76 PolarHBondContact O-N 2.96Å; C74-A76 VanDerWaalsContact O-N 3.15Å; A76-S78 VanDerWaalsContact C-N 3.33Å; A76-S78 PolarHBondContact O-N 3.04Å; A76-F79 WeakPolarHBondContact O-CB 3.5Å; A76-F79 PolarHBondContact O-N 2.95Å; A76-I340 HydrophobicContact CB-CG2 4.18Å; A76-T343 HydrophobicContact CB-CG2 3.49Å; A76-T343 VanDerWaalsContact CB-CG2 3.49Å; A76-R344 HydrophobicContact CB-CG 4.23Å; A76-R344 WeakPolarHBondContact O-CD 3.43Å; A76-R344 WeakPolarHBondContact O-CG 3.35Å; A76-R344 PolarHBondContact O-NH1 3.5Å; A76-R354 WeakPolarHBondContact CB-O 3.48Å; A76-R354 PolarHBondContact N-O 2.78Å
77	L	96.9	Very high	94.8	Very high	76 Å²	76	45 Å²	45	40%	0.398	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-70.5	-29.8	-178.6	-51.4	-169.2	0	0	0	113	H75 R344 S347 R354	H75-L77 VanDerWaalsContact C-N 3.29Å; H75-L77 PolarHBondContact O-N 3.48Å; L77-R344 VanDerWaalsContact C-NH1 3.28Å; L77-R344 HydrophobicContact CD2-CB 4.37Å; L77-R344 HydrophobicContact CD2-CG 3.96Å; L77-R344 PolarHBondContact O-NH1 3.2Å; L77-S347 WeakPolarHBondContact CD2-OG 3.35Å; L77-R354 HydrophobicContact CD1-CB 3.84Å; L77-R354 HydrophobicContact CG-CB 4.03Å
78	S	95.9	Very high	94.9	Very high	71 Å²	71	45 Å²	45	50%	0.497	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-99.8	-1.5	-179.9	-61.6	0	0	0	0	113.2	H75 A76 P376	H75-S78 PolarHBondContact O-N 3.15Å; A76-S78 VanDerWaalsContact C-N 3.33Å; A76-S78 PolarHBondContact O-N 3.04Å; S78-P376 VanDerWaalsContact O-CD 3.31Å; S78-P376 WeakPolarHBondContact O-CD 3.33Å
79	F	96.4	Very high	95	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.039	22%	0.215	C	C	.	.			trans	-59.5	136	-175.5	173.3	-101.4	0	0	0	112.1	H75 A76 P81 I205 L337 I340 F374 F375	H75-F79 PolarHBondContact O-N 3Å; A76-F79 WeakPolarHBondContact O-CB 3.5Å; A76-F79 PolarHBondContact O-N 2.95Å; F79-P81 HydrophobicContact CD1-CG 4.44Å; F79-P81 HydrophobicContact CE1-CB 4.29Å; F79-P81 HydrophobicContact CE1-CG 3.78Å; F79-P81 HydrophobicContact CZ-CG 4.49Å; F79-I205 HydrophobicContact CD1-CD1 3.89Å; F79-I205 HydrophobicContact CE1-CD1 3.74Å; F79-I205 HydrophobicContact CE1-CG1 4.43Å; F79-L337 HydrophobicContact CE1-CD2 3.54Å; F79-L337 HydrophobicContact CZ-CD2 3.56Å; F79-I340 HydrophobicContact CB-CG2 4.1Å; F79-I340 HydrophobicContact CD1-CD1 4.01Å; F79-I340 HydrophobicContact CD1-CG2 3.83Å; F79-I340 HydrophobicContact CD2-CD1 3.91Å; F79-I340 HydrophobicContact CE1-CD1 4.03Å; F79-I340 HydrophobicContact CE2-CD1 3.95Å; F79-I340 HydrophobicContact CG-CD1 3.93Å; F79-I340 HydrophobicContact CG-CG2 4.09Å; F79-I340 HydrophobicContact CZ-CD1 4.01Å; F79-F374 HydrophobicContact CD2-CB 4.5Å; F79-F374 HydrophobicContact CE2-CB 4.01Å; F79-F374 AromaticContact CE2-CD1 3.78Å; F79-F374 HydrophobicContact CE2-CD1 3.78Å; F79-F374 HydrophobicContact CE2-CG 4.28Å; F79-F374 HydrophobicContact CZ-CD1 4.02Å; F79-F375 WeakPolarHBondContact CA-O 3.46Å; F79-F375 WeakPolarHBondContact CD2-O 3.42Å
80	K	91.3	Very high	94.8	Very high	163 Å²	163	50.3 Å²	50.3	71%	0.709	24%	0.238	S	C	*	.			trans	-127.4	119.9	176.5	-68.4	179.1	-174.9	174.2	0	110.7	S82 F375	K80-S82 PolarHBondContact O-N 2.99Å; K80-F375 PolarHBondContact N-O 3.17Å; K80-F375 VanDerWaalsContact N-O 3.16Å
81	P	93	Very high	94.6	Very high	17 Å²	17	52 Å²	52	11%	0.11	25%	0.245	C	C	.	.			trans	-61.8	127.4	179.3	-20	28	0	0	0	112.5	F79 Q85 K86 M89 I205	F79-P81 HydrophobicContact CD1-CG 4.44Å; F79-P81 HydrophobicContact CE1-CB 4.29Å; F79-P81 HydrophobicContact CE1-CG 3.78Å; F79-P81 HydrophobicContact CZ-CG 4.49Å; P81-Q85 HydrophobicContact CB-CB 4.28Å; P81-K86 HydrophobicContact CB-CG 3.96Å; P81-K86 WeakPolarHBondContact O-CE 3.44Å; P81-K86 PolarHBondContact O-NZ 3.44Å; P81-M89 HydrophobicContact CB-CE 3.91Å; P81-M89 HydrophobicContact CG-CE 4.15Å; P81-I205 HydrophobicContact CG-CB 4.07Å; P81-I205 HydrophobicContact CG-CG1 4.2Å
82	S	93.2	Very high	94.3	Very high	37 Å²	37	51.7 Å²	51.7	26%	0.259	24%	0.243	S	C	.	.			trans	-67.9	168.2	171.9	67.1	0	0	0	0	112.1	K80 S84 Q85 K86	K80-S82 PolarHBondContact O-N 2.99Å; S82-S84 PolarHBondContact O-N 3.3Å; S82-S84 PolarHBondContact OG-OG 3.06Å; S82-Q85 PolarHBondContact O-N 2.94Å; S82-Q85 VanDerWaalsContact OG-CD 3.28Å; S82-Q85 PolarHBondContact OG-N 3.41Å; S82-Q85 PolarHBondContact OG-OE1 3.35Å; S82-K86 WeakPolarHBondContact O-CB 3.28Å; S82-K86 WeakPolarHBondContact O-CG 3.35Å; S82-K86 PolarHBondContact O-N 2.95Å
83	K	90.9	Very high	94	Very high	184 Å²	184	52.1 Å²	52.1	80%	0.8	25%	0.246	S	C	*	.	H	α-helix	trans	-59.9	-34.2	175.8	-67.7	179.4	-176.5	170.8	0	112.3	R87	K83-R87 WeakPolarHBondContact O-CG 3.22Å; K83-R87 PolarHBondContact O-N 2.97Å
84	S	92.4	Very high	93.6	Very high	32 Å²	32	53.3 Å²	53.3	22%	0.224	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-46.9	176.1	44.4	0	0	0	0	111.6	S82 K86 R87 V88	S82-S84 PolarHBondContact O-N 3.3Å; S82-S84 PolarHBondContact OG-OG 3.06Å; S84-K86 VanDerWaalsContact C-N 3.33Å; S84-K86 PolarHBondContact O-N 3.4Å; S84-R87 WeakPolarHBondContact O-CA 3.4Å; S84-R87 WeakPolarHBondContact O-CB 3.35Å; S84-R87 PolarHBondContact O-N 2.95Å; S84-V88 PolarHBondContact O-N 3.09Å
85	Q	94.8	Very high	93.4	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-41.2	176.2	-75.1	153.3	-22.8	0	0	111.9	P81 S82 R87 V88 M89 I333 L337 A373 F374	P81-Q85 HydrophobicContact CB-CB 4.28Å; S82-Q85 PolarHBondContact O-N 2.94Å; S82-Q85 VanDerWaalsContact OG-CD 3.28Å; S82-Q85 PolarHBondContact OG-N 3.41Å; S82-Q85 PolarHBondContact OG-OE1 3.35Å; Q85-R87 VanDerWaalsContact C-N 3.28Å; Q85-R87 PolarHBondContact O-N 3.03Å; Q85-V88 WeakPolarHBondContact O-CB 3.35Å; Q85-V88 PolarHBondContact O-N 3.04Å; Q85-V88 VanDerWaalsContact O-N 3.09Å; Q85-M89 PolarHBondContact O-N 3.35Å; Q85-I333 HydrophobicContact CG-CG2 3.86Å; Q85-L337 HydrophobicContact CB-CD1 4.23Å; Q85-L337 HydrophobicContact CB-CD2 4.38Å; Q85-L337 HydrophobicContact CG-CD2 4.37Å; Q85-A373 PolarHBondContact NE2-O 3.26Å; Q85-F374 VanDerWaalsContact NE2-CD1 3.3Å
86	K	92.2	Very high	93.1	Very high	82 Å²	82	51.7 Å²	51.7	36%	0.357	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-35.7	172.6	-71.7	173.5	178.7	172.1	0	113	P81 S82 S84 M89 K90 F208	P81-K86 HydrophobicContact CB-CG 3.96Å; P81-K86 WeakPolarHBondContact O-CE 3.44Å; P81-K86 PolarHBondContact O-NZ 3.44Å; S82-K86 WeakPolarHBondContact O-CB 3.28Å; S82-K86 WeakPolarHBondContact O-CG 3.35Å; S82-K86 PolarHBondContact O-N 2.95Å; S84-K86 VanDerWaalsContact C-N 3.33Å; S84-K86 PolarHBondContact O-N 3.4Å; K86-M89 HydrophobicContact CG-CE 4.11Å; K86-K90 WeakPolarHBondContact O-CB 3.14Å; K86-K90 PolarHBondContact O-N 3.42Å; K86-F208 HydrophobicContact CD-CE2 4.28Å; K86-F208 HydrophobicContact CD-CZ 3.99Å; K86-F208 HydrophobicContact CG-CE1 4.36Å; K86-F208 HydrophobicContact CG-CE2 4.32Å; K86-F208 HydrophobicContact CG-CZ 4.18Å
87	R	92.2	Very high	92.8	Very high	158 Å²	158	57.1 Å²	57.1	60%	0.596	27%	0.27	S	S	*	.	H	α-helix	trans	-68.2	-35.7	173.7	-74.9	-175.6	-64.5	-176.6	2.6	112.2	K83 S84 Q85 R91	K83-R87 WeakPolarHBondContact O-CG 3.22Å; K83-R87 PolarHBondContact O-N 2.97Å; S84-R87 WeakPolarHBondContact O-CA 3.4Å; S84-R87 WeakPolarHBondContact O-CB 3.35Å; S84-R87 PolarHBondContact O-N 2.95Å; Q85-R87 VanDerWaalsContact C-N 3.28Å; Q85-R87 PolarHBondContact O-N 3.03Å; R87-R91 WeakPolarHBondContact O-CB 3.43Å; R87-R91 PolarHBondContact O-N 3.04Å
88	V	93.3	Very high	92.6	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.03	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-50.9	174.4	172.6	0	0	0	0	110.5	S84 Q85 K90 R91 F92 I333	S84-V88 PolarHBondContact O-N 3.09Å; Q85-V88 WeakPolarHBondContact O-CB 3.35Å; Q85-V88 PolarHBondContact O-N 3.04Å; Q85-V88 VanDerWaalsContact O-N 3.09Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 3.19Å; V88-R91 WeakPolarHBondContact O-CB 3.28Å; V88-R91 PolarHBondContact O-N 3.31Å; V88-F92 HydrophobicContact CG1-CD2 4.2Å; V88-F92 HydrophobicContact CG1-CE2 4.39Å; V88-F92 PolarHBondContact O-N 3.49Å; V88-I333 HydrophobicContact CB-CG2 4.29Å; V88-I333 HydrophobicContact CG1-CB 4.32Å; V88-I333 HydrophobicContact CG1-CG2 4.21Å; V88-I333 HydrophobicContact CG2-CB 4.37Å; V88-I333 HydrophobicContact CG2-CD1 4.16Å; V88-I333 HydrophobicContact CG2-CG2 4.1Å
89	M	92.7	Very high	92.3	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-42.5	177.6	-66.3	-178.3	-69.3	0	0	112.2	P81 Q85 K86 R91 F92 A93 F208 L209 L337	P81-M89 HydrophobicContact CB-CE 3.91Å; P81-M89 HydrophobicContact CG-CE 4.15Å; Q85-M89 PolarHBondContact O-N 3.35Å; K86-M89 HydrophobicContact CG-CE 4.11Å; M89-R91 VanDerWaalsContact C-N 3.32Å; M89-R91 PolarHBondContact O-N 2.96Å; M89-F92 WeakPolarHBondContact O-CB 3.36Å; M89-F92 PolarHBondContact O-N 3.32Å; M89-A93 PolarHBondContact O-N 3.02Å; M89-F208 HydrophobicContact CB-CB 4.33Å; M89-F208 HydrophobicContact CE-CB 3.4Å; M89-F208 HydrophobicContact CE-CD1 4.37Å; M89-F208 HydrophobicContact CE-CD2 3.98Å; M89-F208 HydrophobicContact CE-CG 3.69Å; M89-F208 HydrophobicContact CG-CB 4.5Å; M89-F208 HydrophobicContact SD-CB 3.37Å; M89-F208 WeakPolarHBondContact SD-CB 3.49Å; M89-F208 HydrophobicContact SD-CG 4.32Å; M89-L209 HydrophobicContact CG-CD2 4.11Å; M89-L209 HydrophobicContact SD-CD2 3.81Å; M89-L209 HydrophobicContact SD-CG 3.96Å; M89-L337 HydrophobicContact CE-CD1 4.44Å; M89-L337 HydrophobicContact CG-CD1 3.72Å; M89-L337 HydrophobicContact SD-CD1 3.9Å
90	K	90	Very high	91.9	Very high	130 Å²	130	57.2 Å²	57.2	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-62.6	-37.6	174.6	-174.4	175.7	179.6	-179.5	0	112.6	K86 V88 A93 N94	K86-K90 WeakPolarHBondContact O-CB 3.14Å; K86-K90 PolarHBondContact O-N 3.42Å; V88-K90 VanDerWaalsContact C-N 3.34Å; V88-K90 PolarHBondContact O-N 3.19Å; K90-A93 PolarHBondContact O-N 3.46Å; K90-N94 WeakPolarHBondContact O-CB 3.37Å; K90-N94 PolarHBondContact O-N 2.86Å; K90-N94 PolarHBondContact O-OD1 3.01Å
91	R	91.6	Very high	91.5	Very high	38 Å²	38	54.8 Å²	54.8	14%	0.143	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-45.4	176.5	-173.3	-172.4	-59.4	149.8	5	110.9	R87 V88 M89 N94 F95 S105 F328 L329 S330	R87-R91 WeakPolarHBondContact O-CB 3.43Å; R87-R91 PolarHBondContact O-N 3.04Å; V88-R91 WeakPolarHBondContact O-CB 3.28Å; V88-R91 PolarHBondContact O-N 3.31Å; M89-R91 VanDerWaalsContact C-N 3.32Å; M89-R91 PolarHBondContact O-N 2.96Å; R91-N94 PolarHBondContact O-N 3.17Å; R91-F95 WeakPolarHBondContact O-CB 3.19Å; R91-F95 PolarHBondContact O-N 3.38Å; R91-S105 VanDerWaalsContact NH1-CB 3.32Å; R91-F328 WeakPolarHBondContact CD-O 3.44Å; R91-F328 PolarHBondContact NH1-O 3.41Å; R91-L329 HydrophobicContact CG-CD2 4.26Å; R91-S330 PolarHBondContact NH1-OG 3.23Å
92	F	92.3	Very high	90.4	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-51.9	173.6	-98.7	-91.2	0	0	0	111.3	V88 M89 N94 F95 L96 L329 F331 Y334	V88-F92 HydrophobicContact CG1-CD2 4.2Å; V88-F92 HydrophobicContact CG1-CE2 4.39Å; V88-F92 PolarHBondContact O-N 3.49Å; M89-F92 WeakPolarHBondContact O-CB 3.36Å; M89-F92 PolarHBondContact O-N 3.32Å; F92-N94 VanDerWaalsContact C-N 3.34Å; F92-N94 PolarHBondContact O-N 2.95Å; F92-F95 PolarHBondContact O-N 2.9Å; F92-F95 VanDerWaalsContact O-N 3.16Å; F92-L96 WeakPolarHBondContact O-CG 3.4Å; F92-L96 PolarHBondContact O-N 2.99Å; F92-L329 HydrophobicContact CD1-CD1 4.38Å; F92-L329 HydrophobicContact CD2-CB 4.11Å; F92-L329 HydrophobicContact CE1-CB 4.27Å; F92-L329 HydrophobicContact CE1-CD1 3.96Å; F92-L329 HydrophobicContact CE2-CB 3.54Å; F92-L329 WeakPolarHBondContact CE2-O 3.34Å; F92-L329 HydrophobicContact CZ-CB 3.62Å; F92-L329 HydrophobicContact CZ-CD1 4.12Å; F92-L329 HydrophobicContact CZ-CG 4.42Å; F92-F331 HydrophobicContact CE1-CD1 4.4Å; F92-F331 AromaticContact CE1-CE1 3.83Å; F92-F331 HydrophobicContact CE1-CE1 3.83Å; F92-F331 HydrophobicContact CE1-CE2 4.04Å; F92-F331 AromaticContact CE1-CZ 3.63Å; F92-F331 HydrophobicContact CE1-CZ 3.63Å; F92-F331 AromaticContact CZ-CD1 3.77Å; F92-F331 HydrophobicContact CZ-CD1 3.77Å; F92-F331 AromaticContact CZ-CD2 3.87Å; F92-F331 HydrophobicContact CZ-CD2 3.87Å; F92-F331 AromaticContact CZ-CE1 3.65Å; F92-F331 HydrophobicContact CZ-CE1 3.65Å; F92-F331 AromaticContact CZ-CE2 3.75Å; F92-F331 HydrophobicContact CZ-CE2 3.75Å; F92-F331 AromaticContact CZ-CG 3.88Å; F92-F331 HydrophobicContact CZ-CG 3.88Å; F92-F331 AromaticContact CZ-CZ 3.65Å; F92-F331 HydrophobicContact CZ-CZ 3.65Å; F92-Y334 HydrophobicContact CB-CD2 4.26Å; F92-Y334 HydrophobicContact CB-CE2 4Å; F92-Y334 HydrophobicContact CD1-CD1 4.29Å; F92-Y334 HydrophobicContact CD1-CD2 4.19Å; F92-Y334 HydrophobicContact CD1-CE1 4.17Å; F92-Y334 HydrophobicContact CD1-CE2 4.07Å; F92-Y334 HydrophobicContact CD1-CG 4.29Å; F92-Y334 HydrophobicContact CD2-CD1 4.46Å; F92-Y334 AromaticContact CD2-CD2 3.47Å; F92-Y334 HydrophobicContact CD2-CD2 3.47Å; F92-Y334 VanDerWaalsContact CD2-CD2 3.47Å; F92-Y334 HydrophobicContact CD2-CE2 4.04Å; F92-Y334 AromaticContact CD2-CG 3.71Å; F92-Y334 HydrophobicContact CD2-CG 3.71Å; F92-Y334 AromaticContact CE1-CD1 3.85Å; F92-Y334 HydrophobicContact CE1-CD1 3.85Å; F92-Y334 HydrophobicContact CE1-CD2 4.41Å; F92-Y334 HydrophobicContact CE1-CE1 4.01Å; F92-Y334 HydrophobicContact CE1-CG 4.05Å; F92-Y334 HydrophobicContact CE2-CD1 4.01Å; F92-Y334 AromaticContact CE2-CD2 3.7Å; F92-Y334 HydrophobicContact CE2-CD2 3.7Å; F92-Y334 AromaticContact CE2-CG 3.4Å; F92-Y334 HydrophobicContact CE2-CG 3.4Å; F92-Y334 AromaticContact CG-CD2 3.71Å; F92-Y334 HydrophobicContact CG-CD2 3.71Å; F92-Y334 AromaticContact CG-CE2 3.77Å; F92-Y334 HydrophobicContact CG-CE2 3.77Å; F92-Y334 HydrophobicContact CG-CG 4.13Å; F92-Y334 AromaticContact CZ-CD1 3.69Å; F92-Y334 HydrophobicContact CZ-CD1 3.69Å; F92-Y334 HydrophobicContact CZ-CD2 4.18Å; F92-Y334 HydrophobicContact CZ-CE1 4.32Å; F92-Y334 AromaticContact CZ-CG 3.6Å; F92-Y334 HydrophobicContact CZ-CG 3.6Å
93	A	90.3	Very high	88.8	Confident	9 Å²	9	66.8 Å²	66.8	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-43.3	179	0	0	0	0	0	112.7	M89 K90 L96 K97	M89-A93 PolarHBondContact O-N 3.02Å; K90-A93 PolarHBondContact O-N 3.46Å; A93-L96 PolarHBondContact O-N 2.69Å; A93-K97 VanDerWaalsContact O-CB 3.31Å; A93-K97 WeakPolarHBondContact O-CB 3.5Å; A93-K97 PolarHBondContact O-N 3.11Å
94	N	91.5	Very high	87.1	Confident	51 Å²	51	61.2 Å²	61.2	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-41.2	176.7	-76.5	8	0	0	0	112.6	K90 R91 F92 K97 N98 D100	K90-N94 WeakPolarHBondContact O-CB 3.37Å; K90-N94 PolarHBondContact O-N 2.86Å; K90-N94 PolarHBondContact O-OD1 3.01Å; R91-N94 PolarHBondContact O-N 3.17Å; F92-N94 VanDerWaalsContact C-N 3.34Å; F92-N94 PolarHBondContact O-N 2.95Å; N94-K97 PolarHBondContact O-N 2.89Å; N94-N98 PolarHBondContact O-N 3.07Å; N94-D100 HydrophobicContact CB-CB 4.45Å
95	F	93.7	Very high	85.1	Confident	12 Å²	12	60.2 Å²	60.2	5%	0.053	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-46.2	175.9	170.6	-104.1	0	0	0	111	R91 F92 K97 G99 H220 L298 L326 F328 L329	R91-F95 WeakPolarHBondContact O-CB 3.19Å; R91-F95 PolarHBondContact O-N 3.38Å; F92-F95 PolarHBondContact O-N 2.9Å; F92-F95 VanDerWaalsContact O-N 3.16Å; F95-K97 PolarHBondContact O-N 3.03Å; F95-G99 WeakPolarHBondContact O-CA 3.4Å; F95-G99 PolarHBondContact O-N 3.31Å; F95-H220 AromaticContact CZ-CD2 3.98Å; F95-H220 PolarHBondContact O-CD2 2.85Å; F95-L298 HydrophobicContact CE1-CD1 4.01Å; F95-L298 HydrophobicContact CE1-CD2 3.72Å; F95-L298 HydrophobicContact CZ-CD2 3.98Å; F95-L326 HydrophobicContact CZ-CD2 4.41Å; F95-F328 AromaticContact CD2-CE2 3.75Å; F95-F328 HydrophobicContact CD2-CE2 3.75Å; F95-F328 AromaticContact CD2-CZ 3.74Å; F95-F328 HydrophobicContact CD2-CZ 3.74Å; F95-F328 HydrophobicContact CE2-CE2 4.15Å; F95-F328 AromaticContact CE2-CZ 3.64Å; F95-F328 HydrophobicContact CE2-CZ 3.64Å; F95-F328 HydrophobicContact CG-CE2 4.23Å; F95-F328 HydrophobicContact CG-CZ 4.4Å; F95-F328 HydrophobicContact CZ-CZ 4.21Å; F95-L329 HydrophobicContact CB-CD2 3.66Å; F95-L329 HydrophobicContact CD1-CD1 3.67Å; F95-L329 HydrophobicContact CD1-CD2 4.02Å; F95-L329 HydrophobicContact CD1-CG 4.47Å; F95-L329 HydrophobicContact CD2-CD2 4.48Å; F95-L329 HydrophobicContact CE1-CD1 3.86Å; F95-L329 HydrophobicContact CG-CD1 4.21Å; F95-L329 HydrophobicContact CG-CD2 3.78Å
96	L	93.3	Very high	82.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-42.5	178.5	-63.4	175.4	0	0	0	112.1	F92 A93 A212 W218 K219 H220 L222 L298	F92-L96 WeakPolarHBondContact O-CG 3.4Å; F92-L96 PolarHBondContact O-N 2.99Å; A93-L96 PolarHBondContact O-N 2.69Å; L96-A212 HydrophobicContact CD1-CB 3.74Å; L96-W218 HydrophobicContact CB-CE3 3.79Å; L96-W218 HydrophobicContact CB-CZ3 4.14Å; L96-W218 HydrophobicContact CD1-CZ3 4.46Å; L96-K219 PolarHBondContact O-N 3.22Å; L96-K219 VanDerWaalsContact O-N 3.15Å; L96-H220 HydrophobicContact CD2-CB 3.92Å; L96-H220 PolarHBondContact O-N 2.86Å; L96-L222 HydrophobicContact CD1-CB 3.78Å; L96-L222 HydrophobicContact CD1-CD2 4.42Å; L96-L222 HydrophobicContact CD2-CB 3.96Å; L96-L298 HydrophobicContact CD2-CD1 3.52Å
97	K	91.4	Very high	80.6	Confident	114 Å²	114	68.7 Å²	68.7	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-68.3	-50.2	-178.6	-167.8	-179.1	177.2	165.9	0	113	A93 N94 F95 W218 K219	A93-K97 VanDerWaalsContact O-CB 3.31Å; A93-K97 WeakPolarHBondContact O-CB 3.5Å; A93-K97 PolarHBondContact O-N 3.11Å; N94-K97 PolarHBondContact O-N 2.89Å; F95-K97 PolarHBondContact O-N 3.03Å; K97-W218 HydrophobicContact CB-CD2 4.17Å; K97-W218 HydrophobicContact CB-CG 4.29Å; K97-W218 HydrophobicContact CG-CD2 4.36Å; K97-W218 HydrophobicContact CG-CG 4.19Å; K97-K219 PolarHBondContact O-N 2.97Å
98	N	91.4	Very high	78.5	Confident	80 Å²	80	66.5 Å²	66.5	43%	0.428	34%	0.341	S	S	.	.	H	α-helix	trans	-116.5	-14.6	-166.4	-53.4	-25.3	0	0	0	113.9	N94 D100 K219	N94-N98 PolarHBondContact O-N 3.07Å; N98-D100 WeakPolarHBondContact CB-OD1 3.05Å; N98-D100 PolarHBondContact ND2-OD2 2.94Å; N98-K219 WeakPolarHBondContact O-CD 3.14Å
99	G	91.3	Very high	76.3	Confident	13 Å²	13	67.5 Å²	67.5	13%	0.134	35%	0.346	C	S	.	.			trans	76.5	23.7	-168.1	0	0	0	0	0	114	F95 I101	F95-G99 WeakPolarHBondContact O-CA 3.4Å; F95-G99 PolarHBondContact O-N 3.31Å; G99-I101 PolarHBondContact O-N 3.39Å; G99-I101 VanDerWaalsContact O-N 3.15Å
100	D	87.1	Confident	74.1	Confident	65 Å²	65	70.3 Å²	70.3	35%	0.348	36%	0.36	S	S	.	.			trans	-64.5	112	-176.8	-69.1	-21.2	0	0	0	111.6	N94 N98	N94-D100 HydrophobicContact CB-CB 4.45Å; N98-D100 WeakPolarHBondContact CB-OD1 3.05Å; N98-D100 PolarHBondContact ND2-OD2 2.94Å
101	I	84	Confident	71.4	Confident	111 Å²	111	67.7 Å²	67.7	57%	0.569	36%	0.357	S	S	*	.			trans	-94.6	112.9	175.2	-56.9	174.9	0	0	0	109.5	G99 K103 F328	G99-I101 PolarHBondContact O-N 3.39Å; G99-I101 VanDerWaalsContact O-N 3.15Å; I101-K103 PolarHBondContact O-N 2.71Å; I101-F328 HydrophobicContact CB-CE2 4.46Å; I101-F328 HydrophobicContact CG1-CE2 4.4Å; I101-F328 HydrophobicContact CG1-CZ 4.21Å; I101-F328 HydrophobicContact CG2-CD1 4.32Å; I101-F328 HydrophobicContact CG2-CD2 4.23Å; I101-F328 HydrophobicContact CG2-CE1 4.37Å; I101-F328 HydrophobicContact CG2-CE2 4.27Å; I101-F328 HydrophobicContact CG2-CG 4.26Å; I101-F328 HydrophobicContact CG2-CZ 4.35Å
102	H	69	Low	68.7	Low	96 Å²	96	69 Å²	69	44%	0.444	37%	0.371	S	S	.	.			trans	-81.6	101.3	175.4	-98.9	-71.1	0	0	0	111.3	G104 S105	H102-G104 PolarHBondContact O-N 2.77Å; H102-G104 VanDerWaalsContact O-N 3.12Å; H102-S105 PolarHBondContact O-OG 2.89Å
103	K	59.1	Low	66	Low	211 Å²	211	75.9 Å²	75.9	92%	0.917	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.8	178.2	-67.3	-172.7	177.3	-177.4	0	115.2	I101	I101-K103 PolarHBondContact O-N 2.71Å
104	G	55	Low	63.1	Low	66 Å²	66	82.2 Å²	82.2	68%	0.68	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	1.2	-172.5	0	0	0	0	0	116.9	H102	H102-G104 PolarHBondContact O-N 2.77Å; H102-G104 VanDerWaalsContact O-N 3.12Å
105	S	50.5	Low	60	Low	11 Å²	11	87.9 Å²	87.9	8%	0.077	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-91.2	0.5	-166.6	43.6	0	0	0	0	116.8	R91 H102 K107 F108 F328	R91-S105 VanDerWaalsContact NH1-CB 3.32Å; H102-S105 PolarHBondContact O-OG 2.89Å; S105-K107 PolarHBondContact O-N 3.37Å; S105-F108 PolarHBondContact O-N 2.84Å; S105-F328 WeakPolarHBondContact OG-CA 3.29Å; S105-F328 PolarHBondContact OG-O 3.33Å
106	A	46.4	Very low	56.7	Low	62 Å²	62	95.8 Å²	95.8	51%	0.512	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-57.1	-12.4	178.9	0	0	0	0	0	114.4	F108 D109	A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 PolarHBondContact O-N 2.94Å; A106-D109 PolarHBondContact O-N 3.24Å; A106-D109 VanDerWaalsContact O-N 3.14Å
107	K	46.9	Very low	53.5	Low	202 Å²	202	103.9 Å²	103.9	88%	0.878	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-67.6	-22.1	176.6	-72.6	-167.2	177	-173	0	115.2	S105	S105-K107 PolarHBondContact O-N 3.37Å
108	F	47	Very low	50.1	Low	113 Å²	113	104.2 Å²	104.2	50%	0.496	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-93.9	-5	172.5	-96.7	-84.2	0	0	0	112.7	S105 A106 I333	S105-F108 PolarHBondContact O-N 2.84Å; A106-F108 VanDerWaalsContact C-N 3.31Å; A106-F108 PolarHBondContact O-N 2.94Å; F108-I333 HydrophobicContact CD1-CD1 3.81Å; F108-I333 HydrophobicContact CE1-CD1 4.41Å
109	D	48.2	Very low	46.9	Very low	26 Å²	26	107.7 Å²	107.7	14%	0.139	56%	0.559	C	S	.	*	S	Bend	trans	-81	140.9	169.1	-63.2	-37.5	0	0	0	109.3	A106 R327	A106-D109 PolarHBondContact O-N 3.24Å; A106-D109 VanDerWaalsContact O-N 3.14Å; D109-R327 WeakPolarHBondContact OD2-CB 3.43Å
110	L	45.8	Very low	43.5	Very low	62 Å²	62	115.3 Å²	115.3	33%	0.325	59%	0.591	S	S	.	*			trans	-41.1	117.5	177.4	-56.2	170.5	0	0	0	109.5	C112 K367	L110-C112 PolarHBondContact O-N 2.93Å; L110-K367 HydrophobicContact CB-CD 4.26Å; L110-K367 HydrophobicContact CB-CG 3.97Å; L110-K367 VanDerWaalsContact CD2-CA 3.42Å; L110-K367 HydrophobicContact CD2-CB 3.67Å; L110-K367 HydrophobicContact CD2-CG 3.86Å; L110-K367 HydrophobicContact CG-CG 4.41Å
111	P	34.5	Very low	40.5	Very low	76 Å²	76	120.1 Å²	120.1	49%	0.494	62%	0.616	S	S	.	*			trans	-52.5	117.4	175.6	-23.6	31.2	0	0	0	109	A366 K367	P111-A366 HydrophobicContact CG-CB 4.05Å; P111-K367 WeakPolarHBondContact O-CE 3.19Å
112	C	34.2	Very low	37.4	Very low	64 Å²	64	119.2 Å²	119.2	43%	0.432	62%	0.619	S	S	.	*			trans	-65.1	155.9	165.9	-140	0	0	0	0	107.5	L110 D114	L110-C112 PolarHBondContact O-N 2.93Å; C112-D114 PolarHBondContact O-N 3.16Å; C112-D114 VanDerWaalsContact O-N 3.11Å
113	R	35.4	Very low	35.2	Very low	148 Å²	148	122.6 Å²	122.6	56%	0.558	63%	0.633	S	S	*	*			trans	-37	120.9	172.2	-81.8	173.1	163.6	163.7	-5.3	109.5	E115	R113-E115 PolarHBondContact O-N 3.27Å
114	D	28.6	Very low	33.4	Very low	142 Å²	142	120.2 Å²	120.2	76%	0.759	63%	0.625	S	S	*	*			trans	-48.8	135.1	169.9	-68.8	-50.7	0	0	0	107.9	C112 E116	C112-D114 PolarHBondContact O-N 3.16Å; C112-D114 VanDerWaalsContact O-N 3.11Å; D114-E116 PolarHBondContact O-N 2.98Å
115	E	26.2	Very low	31.7	Very low	171 Å²	171	121 Å²	121	80%	0.799	63%	0.625	S	S	*	*			trans	-56.9	111.3	174.2	-66.5	-179.2	163.3	0	0	107.5	R113 H117	R113-E115 PolarHBondContact O-N 3.27Å; E115-H117 VanDerWaalsContact C-N 3.32Å; E115-H117 PolarHBondContact O-N 3.26Å
116	E	24.6	Very low	30.3	Very low	178 Å²	178	126 Å²	126	83%	0.832	66%	0.66	S	S	*	*			trans	-61.4	99.8	169	-75.2	174.6	172.2	0	0	106.8	D114 T118	D114-E116 PolarHBondContact O-N 2.98Å; E116-T118 VanDerWaalsContact C-N 3.31Å; E116-T118 PolarHBondContact O-N 3.31Å
117	H	26.1	Very low	29.1	Very low	171 Å²	171	128 Å²	128	79%	0.792	68%	0.676	S	S	*	*			trans	-58.4	105	157	-83.5	-68.9	0	0	0	106.7	E115 N119	E115-H117 VanDerWaalsContact C-N 3.32Å; E115-H117 PolarHBondContact O-N 3.26Å; H117-N119 VanDerWaalsContact C-N 3.33Å; H117-N119 PolarHBondContact O-N 3.03Å
118	T	20.5	Very low	27.8	Very low	121 Å²	121	121.9 Å²	121.9	74%	0.742	67%	0.671	S	S	*	*			trans	-58.1	86.9	177.5	38.2	0	0	0	0	110.6	E116 H120	E116-T118 VanDerWaalsContact C-N 3.31Å; E116-T118 PolarHBondContact O-N 3.31Å; T118-H120 PolarHBondContact O-N 2.91Å
119	N	24.5	Very low	26.7	Very low	152 Å²	152	124.7 Å²	124.7	81%	0.813	69%	0.685	S	S	*	*			trans	-91.9	96.5	161.4	-82.3	-23.7	0	0	0	108.3	H117 L121	H117-N119 VanDerWaalsContact C-N 3.33Å; H117-N119 PolarHBondContact O-N 3.03Å; N119-L121 PolarHBondContact O-N 3.29Å
120	H	21	Very low	25.3	Very low	173 Å²	173	129.7 Å²	129.7	80%	0.801	72%	0.717	S	S	*	*			trans	-44.3	104	163.2	-96.5	-92.2	0	0	0	110.8	T118	T118-H120 PolarHBondContact O-N 2.91Å
121	L	23.2	Very low	24.2	Very low	166 Å²	166	132.4 Å²	132.4	87%	0.869	74%	0.736	S	S	*	*			trans	-131.6	85	154.9	-77	173.4	0	0	0	108.1	N119	N119-L121 PolarHBondContact O-N 3.29Å
122	S	19.2	Very low	23.5	Very low	92 Å²	92	134.4 Å²	134.4	64%	0.643	75%	0.747	S	S	*	*			trans	-50.2	128.9	152.3	47	0	0	0	0	110.4
123	K	22.6	Very low	22.7	Very low	167 Å²	167	139 Å²	139	73%	0.726	77%	0.766	S	S	*	*				164.1	130	120.6	-89.9	178.5	175.9	-169.9	0	112.2
124	E	21.4	Very low	22.2	Very low	161 Å²	161	140 Å²	140	75%	0.752	78%	0.783	S	S	*	*			trans	59.9	103.7	134.6	-64	162.7	-158.5	0	0	117
125	A	19.6	Very low	21.9	Very low	83 Å²	83	137.6 Å²	137.6	69%	0.686	78%	0.777	S	S	*	*				86.8	112.6	79.8	0	0	0	0	0	113.4
126	S	19.6	Very low	21.8	Very low	117 Å²	117	137.7 Å²	137.7	82%	0.818	78%	0.777	S	S	*	*			trans	67	146.1	137.2	61.1	0	0	0	0	122
127	A	22.6	Very low	21.9	Very low	103 Å²	103	135.5 Å²	135.5	85%	0.851	77%	0.772	S	S	*	*			trans	72.6	111.2	167	0	0	0	0	0	114.6
128	G	18.8	Very low	21.7	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	77%	0.768	S	S	*	*				95.8	83.1	55.4	0	0	0	0	0	107.4
129	H	24.4	Very low	21.7	Very low	171 Å²	171	135.1 Å²	135.1	79%	0.792	77%	0.77	S	S	*	*			trans	-136.8	97.9	172.1	-142.9	63.8	0	0	0	110	V131	H129-V131 VanDerWaalsContact CD2-CG2 3.49Å; H129-V131 WeakPolarHBondContact CD2-CG2 3.26Å
130	T	18.3	Very low	22	Very low	131 Å²	131	133.6 Å²	133.6	80%	0.804	77%	0.769	S	S	*	*			trans	-73.9	114.1	165.2	-58.3	0	0	0	0	106.8
131	V	22.8	Very low	22	Very low	119 Å²	119	133.2 Å²	133.2	72%	0.721	77%	0.767	S	S	*	*			trans	-108	113.9	170.1	-177.8	0	0	0	0	107.7	H129	H129-V131 VanDerWaalsContact CD2-CG2 3.49Å; H129-V131 WeakPolarHBondContact CD2-CG2 3.26Å
132	T	20.1	Very low	21.9	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.724	76%	0.763	S	S	*	*			trans	-70.1	147	177.9	-39.5	0	0	0	0	110.3	D134	T132-D134 PolarHBondContact O-N 2.98Å
133	L	18.4	Very low	22.3	Very low	162 Å²	162	131.1 Å²	131.1	85%	0.848	77%	0.767	S	S	*	*			trans	-51.6	127	172.1	-73.8	130.3	0	0	0	111.5
134	D	25	Very low	22.3	Very low	168 Å²	168	131.5 Å²	131.5	90%	0.898	78%	0.775	S	S	*	*			trans	-114.6	140	158.9	-117.2	-25.5	0	0	0	110.9	T132	T132-D134 PolarHBondContact O-N 2.98Å
135	S	21	Very low	22.5	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	77%	0.774	S	S	*	*			trans	-102	166.3	-170.8	-47.7	0	0	0	0	108.4
136	Q	25.2	Very low	22.8	Very low	172 Å²	172	130 Å²	130	80%	0.804	77%	0.773	S	S	*	*			trans	97.9	118.8	157.8	-57.5	178.3	0.2	0	0	118.6
137	D	25.1	Very low	23.1	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	78%	0.779	S	S	*	*				85	99	129.2	-62.2	-17	0	0	0	122.6
138	S	22	Very low	23.2	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	77%	0.766	S	S	*	*				25.4	121.3	124	20.8	0	0	0	0	122.5
139	K	21.9	Very low	23.6	Very low	182 Å²	182	136.4 Å²	136.4	79%	0.791	77%	0.771	S	S	*	*			trans	64.2	152.9	143.4	-92.8	-168	171.6	-173.2	0	118.2
140	P	29.5	Very low	23.8	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	78%	0.777	S	S	*	*			cis	-134.3	178.5	19.3	33.7	-11.1	0	0	0	116.8
141	E	20.7	Very low	24.1	Very low	164 Å²	164	138 Å²	138	77%	0.766	78%	0.777	S	S	*	*			trans	-61.1	166.2	175.3	-72.3	161.2	121.1	0	0	115.8
142	A	22.3	Very low	24.3	Very low	96 Å²	96	140 Å²	140	79%	0.793	78%	0.783	S	S	*	*			trans	86.4	112.4	159.4	0	0	0	0	0	116.9
143	V	26.9	Very low	24.6	Very low	119 Å²	119	144.2 Å²	144.2	72%	0.721	79%	0.792	S	S	*	*				-171.3	119.4	105.5	167.2	0	0	0	0	107.9	T145	V143-T145 HydrophobicContact CG1-CG2 4.31Å; V143-T145 PolarHBondContact O-N 3.21Å
144	I	22.1	Very low	25.1	Very low	174 Å²	174	142.7 Å²	142.7	89%	0.892	79%	0.789	S	S	*	*			trans	-78.7	102.4	166.8	-66.3	169.6	0	0	0	106.5
145	T	26.7	Very low	25.2	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.724	79%	0.788	S	S	*	*			trans	-100	113.6	170.5	1.3	0	0	0	0	109.9	V143 L147	V143-T145 HydrophobicContact CG1-CG2 4.31Å; V143-T145 PolarHBondContact O-N 3.21Å; T145-L147 PolarHBondContact O-N 3.14Å
146	S	26.2	Very low	25.5	Very low	95 Å²	95	140.7 Å²	140.7	66%	0.664	80%	0.795	S	S	*	*			trans	-45.1	110.4	175.5	178.8	0	0	0	0	113.4	S148	S146-S148 VanDerWaalsContact C-N 3.33Å; S146-S148 PolarHBondContact O-N 3.3Å; S146-S148 VanDerWaalsContact O-N 3.17Å; S146-S148 PolarHBondContact OG-OG 2.75Å
147	L	25.9	Very low	25.7	Very low	183 Å²	183	138.8 Å²	138.8	96%	0.958	80%	0.799	S	S	*	*			trans	-82.5	79.4	165.6	-83.5	153.2	0	0	0	109	T145	T145-L147 PolarHBondContact O-N 3.14Å
148	S	24.4	Very low	26	Very low	81 Å²	81	137.4 Å²	137.4	57%	0.566	80%	0.8	S	S	*	*			trans	-121.8	75.8	171.3	48	0	0	0	0	109.3	S146	S146-S148 VanDerWaalsContact C-N 3.33Å; S146-S148 PolarHBondContact O-N 3.3Å; S146-S148 VanDerWaalsContact O-N 3.17Å; S146-S148 PolarHBondContact OG-OG 2.75Å
149	N	27.7	Very low	26.5	Very low	165 Å²	165	139.1 Å²	139.1	88%	0.882	81%	0.806	S	S	*	*			trans	-163.3	34.5	168.6	-98.6	-17.9	0	0	0	116.1
150	V	27	Very low	27.3	Very low	150 Å²	150	141.3 Å²	141.3	91%	0.909	81%	0.809	S	S	*	*			trans	-119.6	67	165.8	-163.7	0	0	0	0	109.7
151	K	25.7	Very low	27.9	Very low	186 Å²	186	141.1 Å²	141.1	81%	0.809	81%	0.808	S	S	*	*			trans	-118	138.2	156.6	-79.9	-177.9	177.5	175.5	0	106.5
152	N	26.1	Very low	29.1	Very low	159 Å²	159	142.5 Å²	142.5	85%	0.85	81%	0.814	S	S	*	*			trans	103.8	62.6	174	-49.7	-15.7	0	0	0	114.7
153	F	26.7	Very low	30.5	Very low	207 Å²	207	147.4 Å²	147.4	91%	0.908	82%	0.818	S	S	*	*			trans	-147	143	143.1	-144.5	-108.4	0	0	0	109.8
154	V	29.3	Very low	32	Very low	131 Å²	131	148 Å²	148	79%	0.794	81%	0.81	S	S	*	*			trans	84.3	65.1	-177.6	-155.5	0	0	0	0	115.7
155	A	27.5	Very low	34.1	Very low	104 Å²	104	143.9 Å²	143.9	86%	0.86	80%	0.795	S	S	*	*			trans	-117.5	77.8	156.5	0	0	0	0	0	109.8
156	S	26.6	Very low	36.2	Very low	113 Å²	113	144.3 Å²	144.3	79%	0.79	79%	0.792	S	S	*	*			trans	-169.8	86.1	155.9	55	0	0	0	0	110.3
157	C	28.9	Very low	38.4	Very low	133 Å²	133	147.3 Å²	147.3	90%	0.899	80%	0.796	S	S	*	*			trans	-139.1	106.8	159.2	-135.6	0	0	0	0	110.1
158	S	32.9	Very low	40.7	Very low	104 Å²	104	142.1 Å²	142.1	73%	0.727	77%	0.769	S	S	*	*			trans	-4.8	127.1	166.2	-158	0	0	0	0	117.5	R160	S158-R160 PolarHBondContact O-N 2.93Å
159	T	32.1	Very low	43.1	Very low	137 Å²	137	142.7 Å²	142.7	84%	0.84	77%	0.765	S	S	*	*			trans	-39.9	96.9	169.4	51.4	0	0	0	0	113.4
160	R	37.4	Very low	45.5	Very low	228 Å²	228	140.1 Å²	140.1	86%	0.86	75%	0.75	S	S	*	*			trans	-94.1	134	160.5	-76.3	-175.5	-174.4	-179.8	2.2	108.8	S158 H162	S158-R160 PolarHBondContact O-N 2.93Å; R160-H162 PolarHBondContact O-N 3.29Å
161	P	42.2	Very low	48	Very low	116 Å²	116	142.3 Å²	142.3	75%	0.753	74%	0.742	S	S	*	*			trans	-57.8	130.9	-175.1	20.7	-29.2	0	0	0	109.5	K163	P161-K163 PolarHBondContact O-N 2.81Å
162	H	47.3	Very low	50.8	Low	194 Å²	194	138.3 Å²	138.3	90%	0.898	73%	0.725	S	S	*	*			trans	-45.1	98.4	-179.7	-86	-88.8	0	0	0	110.3	R160 K164	R160-H162 PolarHBondContact O-N 3.29Å; H162-K164 PolarHBondContact O-N 3.4Å; H162-K164 VanDerWaalsContact O-N 3.08Å
163	K	51.4	Low	53.5	Low	199 Å²	199	132.9 Å²	132.9	87%	0.865	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-61	118.1	166	-80.2	-175.8	177.7	178.8	0	105.4	P161	P161-K163 PolarHBondContact O-N 2.81Å
164	K	57.6	Low	56.5	Low	130 Å²	130	131 Å²	131	57%	0.565	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-47.6	136.2	174.1	-74.5	-179.7	-179.2	172.9	0	108.5	H162 L166	H162-K164 PolarHBondContact O-N 3.4Å; H162-K164 VanDerWaalsContact O-N 3.08Å; K164-L166 PolarHBondContact O-N 3.1Å
165	P	67.4	Low	59	Low	88 Å²	88	132.9 Å²	132.9	57%	0.571	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-50.1	130.9	-175.3	-27.4	33.2	0	0	0	111	E167 L168 L169	P165-E167 PolarHBondContact O-N 3.26Å; P165-L168 WeakPolarHBondContact O-CB 3.26Å; P165-L168 PolarHBondContact O-N 3.4Å; P165-L169 PolarHBondContact O-N 3.42Å
166	L	70.3	Confident	61.9	Low	128 Å²	128	133.8 Å²	133.8	67%	0.67	67%	0.671	S	S	*	*	H	α-helix	trans	-50.6	-35.3	-178.4	-179.4	64.6	0	0	0	111.8	K164 L168 L169 L170	K164-L166 PolarHBondContact O-N 3.1Å; L166-L168 PolarHBondContact O-N 2.96Å; L166-L169 WeakPolarHBondContact O-CB 3.08Å; L166-L169 PolarHBondContact O-N 3.36Å; L166-L170 HydrophobicContact CG-CD1 4.04Å; L166-L170 WeakPolarHBondContact O-CG 3.17Å; L166-L170 PolarHBondContact O-N 2.84Å
167	E	71.2	Confident	64.9	Low	157 Å²	157	137.2 Å²	137.2	73%	0.734	67%	0.667	S	S	*	*	H	α-helix	trans	-61	-41.5	176.9	-165.2	170.3	-170.7	0	0	113.1	P165 L169 L170 R171	P165-E167 PolarHBondContact O-N 3.26Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.43Å; E167-L170 PolarHBondContact O-N 2.7Å; E167-R171 WeakPolarHBondContact O-CB 3.34Å; E167-R171 PolarHBondContact O-N 3.04Å
168	L	75.4	Confident	67.7	Low	75 Å²	75	139.8 Å²	139.8	39%	0.393	66%	0.658	S	S	.	*	H	α-helix	trans	-66	-38.5	175.8	-174.7	65.8	0	0	0	111.3	P165 L166 K172	P165-L168 WeakPolarHBondContact O-CB 3.26Å; P165-L168 PolarHBondContact O-N 3.4Å; L166-L168 PolarHBondContact O-N 2.96Å; L168-K172 WeakPolarHBondContact O-CG 3.39Å; L168-K172 PolarHBondContact O-N 3.22Å
169	L	75.1	Confident	70.3	Confident	92 Å²	92	136.9 Å²	136.9	48%	0.482	64%	0.635	S	S	.	*	H	α-helix	trans	-66.3	-43.8	176.3	-68.8	172.5	0	0	0	111.7	P165 L166 E167 R171 K172 A173	P165-L169 PolarHBondContact O-N 3.42Å; L166-L169 WeakPolarHBondContact O-CB 3.08Å; L166-L169 PolarHBondContact O-N 3.36Å; E167-L169 VanDerWaalsContact C-N 3.35Å; E167-L169 PolarHBondContact O-N 3.43Å; L169-R171 PolarHBondContact O-N 2.79Å; L169-K172 PolarHBondContact O-N 2.76Å; L169-A173 WeakPolarHBondContact O-CB 3.25Å; L169-A173 PolarHBondContact O-N 3.12Å
170	L	77	Confident	73.2	Confident	111 Å²	111	137.2 Å²	137.2	58%	0.581	62%	0.621	S	S	*	*	H	α-helix	trans	-61.8	-42.8	175.8	-75.3	165.1	0	0	0	111.7	L166 E167 A173 K174	L166-L170 HydrophobicContact CG-CD1 4.04Å; L166-L170 WeakPolarHBondContact O-CG 3.17Å; L166-L170 PolarHBondContact O-N 2.84Å; E167-L170 PolarHBondContact O-N 2.7Å; L170-A173 PolarHBondContact O-N 3.28Å; L170-K174 WeakPolarHBondContact O-CB 3.47Å; L170-K174 PolarHBondContact O-N 3.01Å
171	R	79.6	Confident	75.7	Confident	196 Å²	196	130.7 Å²	130.7	74%	0.74	60%	0.599	S	S	*	*	H	α-helix	trans	-62.2	-43.2	176.8	-167.8	172.3	166.2	-178.1	-4.7	111.5	E167 L169 K174 W175	E167-R171 WeakPolarHBondContact O-CB 3.34Å; E167-R171 PolarHBondContact O-N 3.04Å; L169-R171 PolarHBondContact O-N 2.79Å; R171-K174 PolarHBondContact O-N 2.77Å; R171-W175 WeakPolarHBondContact O-CB 3.24Å; R171-W175 PolarHBondContact O-N 2.87Å
172	K	84.1	Confident	77.9	Confident	103 Å²	103	128.5 Å²	128.5	45%	0.448	58%	0.581	S	S	.	*	H	α-helix	trans	-64	-42.5	174.2	-75.3	-179.6	179.6	-174.3	0	112.7	L168 L169 W175 K176	L168-K172 WeakPolarHBondContact O-CG 3.39Å; L168-K172 PolarHBondContact O-N 3.22Å; L169-K172 PolarHBondContact O-N 2.76Å; K172-W175 PolarHBondContact O-N 2.92Å; K172-K176 WeakPolarHBondContact O-CG 3.38Å; K172-K176 PolarHBondContact O-N 3.11Å
173	A	84.1	Confident	80	Confident	45 Å²	45	124.7 Å²	124.7	37%	0.372	56%	0.563	S	S	.	*	H	α-helix	trans	-64.7	-40.6	177.5	0	0	0	0	0	112.1	L169 L170 R177	L169-A173 WeakPolarHBondContact O-CB 3.25Å; L169-A173 PolarHBondContact O-N 3.12Å; L170-A173 PolarHBondContact O-N 3.28Å; A173-R177 PolarHBondContact O-N 3.06Å; A173-R177 VanDerWaalsContact O-N 3.1Å
174	K	88.6	Confident	81.9	Confident	167 Å²	167	122.6 Å²	122.6	73%	0.726	55%	0.554	S	S	*	*	H	α-helix	trans	-64.4	-42.6	175.3	-164.3	176	-177.5	-178.7	0	111.1	L170 R171 R177 R178	L170-K174 WeakPolarHBondContact O-CB 3.47Å; L170-K174 PolarHBondContact O-N 3.01Å; R171-K174 PolarHBondContact O-N 2.77Å; K174-R177 PolarHBondContact O-N 2.95Å; K174-R178 PolarHBondContact O-N 3.43Å; K174-R178 VanDerWaalsContact O-N 3.14Å
175	W	83.3	Confident	83.4	Confident	170 Å²	170	117.1 Å²	117.1	64%	0.644	53%	0.531	S	S	*	.	H	α-helix	trans	-61.1	-53.1	174.5	-177.2	81.9	0	0	0	111.7	R171 K172 R177 R178 T179	R171-W175 WeakPolarHBondContact O-CB 3.24Å; R171-W175 PolarHBondContact O-N 2.87Å; K172-W175 PolarHBondContact O-N 2.92Å; W175-R177 PolarHBondContact O-N 2.81Å; W175-R177 VanDerWaalsContact O-N 3.14Å; W175-R178 WeakPolarHBondContact O-CA 3.37Å; W175-R178 WeakPolarHBondContact O-CB 3.23Å; W175-R178 PolarHBondContact O-N 3.16Å; W175-T179 PolarHBondContact O-N 2.93Å; W175-T179 PolarHBondContact O-OG1 3.38Å
176	K	88	Confident	84.5	Confident	123 Å²	123	119.9 Å²	119.9	54%	0.535	53%	0.534	S	S	.	.	H	α-helix	trans	-57.6	-30.8	177.6	-74.7	-173.1	178.2	-172.1	0	113.9	K172 R180	K172-K176 WeakPolarHBondContact O-CG 3.38Å; K172-K176 PolarHBondContact O-N 3.11Å; K176-R180 WeakPolarHBondContact O-CG 3.44Å; K176-R180 PolarHBondContact O-N 2.7Å; K176-R180 PolarHBondContact O-NE 3.15Å; K176-R180 VanDerWaalsContact O-NE 3.07Å
177	R	89.7	Confident	85.5	Confident	185 Å²	185	118 Å²	118	70%	0.698	54%	0.537	S	S	*	.	H	α-helix	trans	-72.3	-36.3	173	-82.8	-176.3	-178.4	141.5	0.2	112	A173 K174 W175 K181	A173-R177 PolarHBondContact O-N 3.06Å; A173-R177 VanDerWaalsContact O-N 3.1Å; K174-R177 PolarHBondContact O-N 2.95Å; W175-R177 PolarHBondContact O-N 2.81Å; W175-R177 VanDerWaalsContact O-N 3.14Å; R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 3.09Å
178	R	86.4	Confident	86.5	Confident	188 Å²	188	118.1 Å²	118.1	71%	0.709	54%	0.535	S	S	*	.	H	α-helix	trans	-68.5	-44.4	177.2	-166.1	176.8	-177.5	-168.6	0.2	110.9	K174 W175 K181 L182	K174-R178 PolarHBondContact O-N 3.43Å; K174-R178 VanDerWaalsContact O-N 3.14Å; W175-R178 WeakPolarHBondContact O-CA 3.37Å; W175-R178 WeakPolarHBondContact O-CB 3.23Å; W175-R178 PolarHBondContact O-N 3.16Å; R178-K181 WeakPolarHBondContact O-CB 3.33Å; R178-K181 PolarHBondContact O-N 3.18Å; R178-L182 HydrophobicContact CG-CD1 4.17Å; R178-L182 WeakPolarHBondContact O-CD1 3.31Å; R178-L182 PolarHBondContact O-N 3.11Å
179	T	89.1	Confident	87.2	Confident	42 Å²	42	118.2 Å²	118.2	26%	0.258	55%	0.554	S	S	.	*	H	α-helix	trans	-60.8	-51.9	179.2	-27	0	0	0	0	111.7	W175 K181 L182 E183	W175-T179 PolarHBondContact O-N 2.93Å; W175-T179 PolarHBondContact O-OG1 3.38Å; T179-K181 PolarHBondContact O-N 3.31Å; T179-K181 VanDerWaalsContact O-N 3.11Å; T179-L182 WeakPolarHBondContact O-CB 3.36Å; T179-L182 PolarHBondContact O-N 3.29Å; T179-E183 WeakPolarHBondContact O-CG 3.28Å; T179-E183 PolarHBondContact O-N 3.02Å
180	R	92.3	Very high	87.8	Confident	145 Å²	145	116.9 Å²	116.9	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-57	-30.9	175.9	-76.6	-176.1	-81.3	-176.2	-9.1	113.6	K176 K184	K176-R180 WeakPolarHBondContact O-CG 3.44Å; K176-R180 PolarHBondContact O-N 2.7Å; K176-R180 PolarHBondContact O-NE 3.15Å; K176-R180 VanDerWaalsContact O-NE 3.07Å; R180-K184 WeakPolarHBondContact O-CG 3.28Å; R180-K184 PolarHBondContact O-N 3.06Å; R180-K184 VanDerWaalsContact O-N 3.17Å
181	K	89.5	Confident	88.2	Confident	90 Å²	90	115.6 Å²	115.6	39%	0.391	54%	0.54	S	S	.	.	H	α-helix	trans	-75.6	-41.2	176.8	-173.1	167.2	-176	171.5	0	111.8	R177 R178 T179 K184 L185	R177-K181 WeakPolarHBondContact O-CB 3.48Å; R177-K181 PolarHBondContact O-N 3.09Å; R178-K181 WeakPolarHBondContact O-CB 3.33Å; R178-K181 PolarHBondContact O-N 3.18Å; T179-K181 PolarHBondContact O-N 3.31Å; T179-K181 VanDerWaalsContact O-N 3.11Å; K181-K184 PolarHBondContact O-N 3.44Å; K181-L185 WeakPolarHBondContact O-CG 3.26Å; K181-L185 PolarHBondContact O-N 2.81Å
182	L	88.6	Confident	88.3	Confident	70 Å²	70	107.9 Å²	107.9	37%	0.366	52%	0.515	S	S	.	.	H	α-helix	trans	-61.4	-45.2	173.4	-99.3	71.2	0	0	0	111.1	R178 T179 K184 L185 K186 P192	R178-L182 HydrophobicContact CG-CD1 4.17Å; R178-L182 WeakPolarHBondContact O-CD1 3.31Å; R178-L182 PolarHBondContact O-N 3.11Å; T179-L182 WeakPolarHBondContact O-CB 3.36Å; T179-L182 PolarHBondContact O-N 3.29Å; L182-K184 VanDerWaalsContact C-N 3.32Å; L182-K184 PolarHBondContact O-N 3.3Å; L182-L185 PolarHBondContact O-N 3.22Å; L182-L185 VanDerWaalsContact O-N 3.1Å; L182-K186 WeakPolarHBondContact O-CG 3.32Å; L182-K186 PolarHBondContact O-N 2.99Å; L182-P192 HydrophobicContact CG-CB 4.07Å; L182-P192 HydrophobicContact CG-CG 4.22Å
183	E	91.4	Very high	88.3	Confident	115 Å²	115	107.1 Å²	107.1	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-57.7	-44.6	175.8	-72.7	163.3	-175.5	0	0	111.4	T179 L185 K186 A187	T179-E183 WeakPolarHBondContact O-CG 3.28Å; T179-E183 PolarHBondContact O-N 3.02Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 3.14Å; E183-K186 PolarHBondContact O-N 3.48Å; E183-A187 VanDerWaalsContact O-CB 3.26Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 2.68Å
184	K	91.6	Very high	88.2	Confident	154 Å²	154	111.6 Å²	111.6	67%	0.67	55%	0.546	S	S	*	.	H	α-helix	trans	-64.6	-30.8	175.3	-79.7	-175.5	178	-168.3	0	114.3	R180 K181 L182 K188	R180-K184 WeakPolarHBondContact O-CG 3.28Å; R180-K184 PolarHBondContact O-N 3.06Å; R180-K184 VanDerWaalsContact O-N 3.17Å; K181-K184 PolarHBondContact O-N 3.44Å; L182-K184 VanDerWaalsContact C-N 3.32Å; L182-K184 PolarHBondContact O-N 3.3Å; K184-K188 VanDerWaalsContact O-CG 3.32Å; K184-K188 WeakPolarHBondContact O-CG 3.41Å; K184-K188 PolarHBondContact O-N 3.12Å
185	L	89.7	Confident	87.7	Confident	15 Å²	15	107.9 Å²	107.9	8%	0.079	53%	0.527	C	S	.	.	H	α-helix	trans	-73.9	-47.5	176	-73.5	170.4	0	0	0	110.4	K181 L182 E183 A187 K188 G189 I190 P192 W195	K181-L185 WeakPolarHBondContact O-CG 3.26Å; K181-L185 PolarHBondContact O-N 2.81Å; L182-L185 PolarHBondContact O-N 3.22Å; L182-L185 VanDerWaalsContact O-N 3.1Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 3.14Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 3.1Å; L185-K188 CarbonylContact O-C 3.58Å; L185-K188 WeakPolarHBondContact O-CA 3.48Å; L185-K188 WeakPolarHBondContact O-CB 3.49Å; L185-K188 PolarHBondContact O-N 3.13Å; L185-G189 PolarHBondContact O-N 3.01Å; L185-I190 CarbonylContact C-O 3.33Å; L185-I190 HydrophobicContact CB-CB 4.45Å; L185-I190 HydrophobicContact CD2-CB 4.27Å; L185-I190 HydrophobicContact CD2-CD1 4.17Å; L185-I190 HydrophobicContact CD2-CG2 4.14Å; L185-I190 PolarHBondContact O-N 3.12Å; L185-P192 HydrophobicContact CB-CG 4.2Å; L185-P192 HydrophobicContact CD1-CB 4.35Å; L185-W195 HydrophobicContact CD1-CB 4.16Å; L185-W195 HydrophobicContact CD1-CD2 3.66Å; L185-W195 HydrophobicContact CD1-CE3 3.8Å; L185-W195 HydrophobicContact CD1-CG 3.82Å; L185-W195 HydrophobicContact CD2-CB 4.47Å; L185-W195 HydrophobicContact CD2-CD2 3.9Å; L185-W195 HydrophobicContact CD2-CG 3.7Å; L185-W195 HydrophobicContact CG-CD2 4.45Å; L185-W195 HydrophobicContact CG-CG 4.42Å
186	K	89	Confident	87.3	Confident	146 Å²	146	106.8 Å²	106.8	64%	0.635	53%	0.532	S	S	*	.	H	α-helix	trans	-58.2	-44	175	-70.5	-174.4	176.1	-169.3	0	112	L182 E183 K188 G189 P192	L182-K186 WeakPolarHBondContact O-CG 3.32Å; L182-K186 PolarHBondContact O-N 2.99Å; E183-K186 PolarHBondContact O-N 3.48Å; K186-K188 PolarHBondContact O-N 3.13Å; K186-K188 VanDerWaalsContact O-N 3.16Å; K186-G189 PolarHBondContact O-N 2.95Å; K186-P192 HydrophobicContact CG-CG 3.95Å
187	A	92.7	Very high	86.8	Confident	88 Å²	88	106.4 Å²	106.4	73%	0.727	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.7	176.4	0	0	0	0	0	113.8	E183 L185	E183-A187 VanDerWaalsContact O-CB 3.26Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 2.68Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 3.1Å
188	K	90.6	Very high	86	Confident	161 Å²	161	106.9 Å²	106.9	70%	0.7	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	7.7	173.6	-71.5	-177.6	175.9	-158.3	0	113	K184 L185 K186 I190	K184-K188 VanDerWaalsContact O-CG 3.32Å; K184-K188 WeakPolarHBondContact O-CG 3.41Å; K184-K188 PolarHBondContact O-N 3.12Å; L185-K188 CarbonylContact O-C 3.58Å; L185-K188 WeakPolarHBondContact O-CA 3.48Å; L185-K188 WeakPolarHBondContact O-CB 3.49Å; L185-K188 PolarHBondContact O-N 3.13Å; K186-K188 PolarHBondContact O-N 3.13Å; K186-K188 VanDerWaalsContact O-N 3.16Å; K188-I190 HydrophobicContact CB-CD1 3.98Å; K188-I190 HydrophobicContact CB-CG1 4.05Å; K188-I190 HydrophobicContact CD-CD1 4.45Å; K188-I190 PolarHBondContact O-N 3.43Å
189	G	90.5	Very high	85.1	Confident	76 Å²	76	104.1 Å²	104.1	78%	0.784	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	16.3	-173.9	0	0	0	0	0	113.7	L185 K186	L185-G189 PolarHBondContact O-N 3.01Å; K186-G189 PolarHBondContact O-N 2.95Å
190	I	87.5	Confident	84	Confident	65 Å²	65	106.8 Å²	106.8	33%	0.333	55%	0.554	S	S	.	*			trans	-95.9	119.7	-179.9	-57.9	171.7	0	0	0	108.3	L185 K188 P192 W195	L185-I190 CarbonylContact C-O 3.33Å; L185-I190 HydrophobicContact CB-CB 4.45Å; L185-I190 HydrophobicContact CD2-CB 4.27Å; L185-I190 HydrophobicContact CD2-CD1 4.17Å; L185-I190 HydrophobicContact CD2-CG2 4.14Å; L185-I190 PolarHBondContact O-N 3.12Å; K188-I190 HydrophobicContact CB-CD1 3.98Å; K188-I190 HydrophobicContact CB-CG1 4.05Å; K188-I190 HydrophobicContact CD-CD1 4.45Å; K188-I190 PolarHBondContact O-N 3.43Å; I190-P192 WeakPolarHBondContact O-CD 3.33Å; I190-W195 HydrophobicContact CG2-CB 3.9Å; I190-W195 HydrophobicContact CG2-CG 4.15Å
191	D	87	Confident	82.9	Confident	83 Å²	83	105.7 Å²	105.7	44%	0.444	57%	0.566	S	S	.	*			trans	-62.2	116.4	170.5	-177.2	-2.3	0	0	0	110	A193 L194 W195	D191-A193 PolarHBondContact O-N 3.15Å; D191-A193 VanDerWaalsContact O-N 3.15Å; D191-A193 WeakPolarHBondContact OD1-CB 3.37Å; D191-A193 PolarHBondContact OD1-N 3.46Å; D191-L194 HydrophobicContact CB-CB 4.32Å; D191-L194 HydrophobicContact CB-CD1 4.32Å; D191-L194 HydrophobicContact CB-CG 4.35Å; D191-L194 PolarHBondContact O-N 3.36Å; D191-L194 VanDerWaalsContact O-N 3.15Å; D191-W195 PolarHBondContact O-N 3.35Å
192	P	80.9	Confident	82.1	Confident	34 Å²	34	107.7 Å²	107.7	22%	0.221	59%	0.585	C	S	.	*	T	Hydrogen-bonded Turn	trans	-58.4	-23.8	177.1	-23.1	34.6	0	0	0	114.3	L182 L185 K186 I190	L182-P192 HydrophobicContact CG-CB 4.07Å; L182-P192 HydrophobicContact CG-CG 4.22Å; L185-P192 HydrophobicContact CB-CG 4.2Å; L185-P192 HydrophobicContact CD1-CB 4.35Å; K186-P192 HydrophobicContact CG-CG 3.95Å; I190-P192 WeakPolarHBondContact O-CD 3.33Å
193	A	83.7	Confident	81.6	Confident	87 Å²	87	109.4 Å²	109.4	72%	0.719	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-35.6	177.6	0	0	0	0	0	112.4	D191	D191-A193 PolarHBondContact O-N 3.15Å; D191-A193 VanDerWaalsContact O-N 3.15Å; D191-A193 WeakPolarHBondContact OD1-CB 3.37Å; D191-A193 PolarHBondContact OD1-N 3.46Å
194	L	82.2	Confident	81.2	Confident	140 Å²	140	106.9 Å²	106.9	73%	0.733	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-8.1	177.9	-60.3	176.4	0	0	0	113	D191 I196	D191-L194 HydrophobicContact CB-CB 4.32Å; D191-L194 HydrophobicContact CB-CD1 4.32Å; D191-L194 HydrophobicContact CB-CG 4.35Å; D191-L194 PolarHBondContact O-N 3.36Å; D191-L194 VanDerWaalsContact O-N 3.15Å; L194-I196 PolarHBondContact O-N 3.29Å
195	W	79	Confident	81	Confident	88 Å²	88	99.8 Å²	99.8	33%	0.333	55%	0.551	S	S	.	*			trans	-68.7	104.2	-177	179.5	67.6	0	0	0	112.4	L185 I190 D191 K197	L185-W195 HydrophobicContact CD1-CB 4.16Å; L185-W195 HydrophobicContact CD1-CD2 3.66Å; L185-W195 HydrophobicContact CD1-CE3 3.8Å; L185-W195 HydrophobicContact CD1-CG 3.82Å; L185-W195 HydrophobicContact CD2-CB 4.47Å; L185-W195 HydrophobicContact CD2-CD2 3.9Å; L185-W195 HydrophobicContact CD2-CG 3.7Å; L185-W195 HydrophobicContact CG-CD2 4.45Å; L185-W195 HydrophobicContact CG-CG 4.42Å; I190-W195 HydrophobicContact CG2-CB 3.9Å; I190-W195 HydrophobicContact CG2-CG 4.15Å; D191-W195 PolarHBondContact O-N 3.35Å; W195-K197 HydrophobicContact CH2-CB 3.33Å; W195-K197 HydrophobicContact CH2-CD 3.92Å; W195-K197 HydrophobicContact CH2-CG 3.46Å; W195-K197 VanDerWaalsContact CH2-CG 3.46Å; W195-K197 HydrophobicContact CZ2-CB 3.76Å; W195-K197 HydrophobicContact CZ2-CG 3.83Å; W195-K197 HydrophobicContact CZ3-CB 3.77Å; W195-K197 HydrophobicContact CZ3-CG 4.33Å
196	I	74.8	Confident	81	Confident	147 Å²	147	101 Å²	101	75%	0.754	56%	0.557	S	S	*	*			trans	-83.9	118.3	168	-57.3	174.6	0	0	0	108.7	L194 K198	L194-I196 PolarHBondContact O-N 3.29Å; I196-K198 PolarHBondContact O-N 3.41Å
197	K	76.1	Confident	80.8	Confident	115 Å²	115	97.5 Å²	97.5	50%	0.5	55%	0.545	S	S	.	.			trans	-66.3	101.9	171.8	-172.7	-177.8	177.8	-164	0	109.2	W195 L199	W195-K197 HydrophobicContact CH2-CB 3.33Å; W195-K197 HydrophobicContact CH2-CD 3.92Å; W195-K197 HydrophobicContact CH2-CG 3.46Å; W195-K197 VanDerWaalsContact CH2-CG 3.46Å; W195-K197 HydrophobicContact CZ2-CB 3.76Å; W195-K197 HydrophobicContact CZ2-CG 3.83Å; W195-K197 HydrophobicContact CZ3-CB 3.77Å; W195-K197 HydrophobicContact CZ3-CG 4.33Å; K197-L199 HydrophobicContact CD-CD2 4.25Å; K197-L199 PolarHBondContact O-N 3.33Å
198	K	72.8	Confident	80.3	Confident	196 Å²	196	95.1 Å²	95.1	85%	0.852	52%	0.518	S	S	*	.			trans	-57.9	109.2	163.5	-68	-171	179.1	-175.9	0	108.2	I196	I196-K198 PolarHBondContact O-N 3.41Å
199	L	68.4	Low	80.1	Confident	130 Å²	130	87.5 Å²	87.5	68%	0.681	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-76.5	132	171.9	-72.6	164.2	0	0	0	106.8	K197	K197-L199 HydrophobicContact CD-CD2 4.25Å; K197-L199 PolarHBondContact O-N 3.33Å
200	P	65.9	Low	79.7	Confident	98 Å²	98	87.4 Å²	87.4	64%	0.636	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-58.8	152.6	171.1	27.1	-33.4	0	0	0	109.1	V202	P200-V202 PolarHBondContact O-N 3.46Å
201	P	68.9	Low	79	Confident	121 Å²	121	88.2 Å²	88.2	79%	0.786	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-48.5	134.4	172.8	-26.1	33.7	0	0	0	110.4	K203	P201-K203 PolarHBondContact O-N 3.16Å
202	V	72.2	Confident	78.1	Confident	132 Å²	132	84.5 Å²	84.5	80%	0.8	45%	0.451	S	S	*	.			trans	-70.9	106.4	177.5	-179.8	0	0	0	0	107.1	P200 T204	P200-V202 PolarHBondContact O-N 3.46Å; V202-T204 PolarHBondContact O-N 3.38Å
203	K	77.8	Confident	77.5	Confident	107 Å²	107	87.3 Å²	87.3	47%	0.465	46%	0.464	S	S	.	.			trans	-55.8	129.9	174.6	-69.3	-169	175	-159.7	0	110.9	P201 D207 F208	P201-K203 PolarHBondContact O-N 3.16Å; K203-D207 VanDerWaalsContact CA-OD2 3.26Å; K203-D207 WeakPolarHBondContact CA-OD2 3.41Å; K203-D207 HydrophobicContact CB-CB 4.01Å; K203-D207 HydrophobicContact CG-CB 4.39Å; K203-F208 HydrophobicContact CB-CD2 4.16Å; K203-F208 HydrophobicContact CB-CE1 4.44Å; K203-F208 HydrophobicContact CB-CE2 3.48Å; K203-F208 VanDerWaalsContact CB-CE2 3.48Å; K203-F208 HydrophobicContact CB-CZ 3.65Å; K203-F208 HydrophobicContact CD-CE1 4.04Å; K203-F208 HydrophobicContact CD-CZ 3.98Å; K203-F208 HydrophobicContact CG-CZ 4.39Å
204	T	84.8	Confident	76.7	Confident	61 Å²	61	84.2 Å²	84.2	37%	0.374	44%	0.437	S	S	.	.			trans	-73.8	171.4	175.8	66.5	0	0	0	0	111	V202 E206 D207 F208	V202-T204 PolarHBondContact O-N 3.38Å; T204-E206 VanDerWaalsContact C-N 3.27Å; T204-E206 WeakPolarHBondContact CB-OE2 3.29Å; T204-E206 PolarHBondContact OG1-N 2.77Å; T204-E206 PolarHBondContact OG1-OE2 3.47Å; T204-D207 PolarHBondContact N-OD2 3.1Å; T204-D207 PolarHBondContact O-N 3.06Å; T204-D207 PolarHBondContact OG1-N 3.49Å; T204-D207 PolarHBondContact OG1-OD1 3.28Å; T204-D207 PolarHBondContact OG1-OD2 3.09Å; T204-F208 WeakPolarHBondContact O-CD2 3.27Å; T204-F208 PolarHBondContact O-N 3.02Å
205	I	86.6	Confident	76.2	Confident	5 Å²	5	82.9 Å²	82.9	3%	0.026	43%	0.427	C	S	.	.	H	α-helix	trans	-63.1	-40.7	172.2	-175.7	-175.5	0	0	0	110	F79 P81 D207 F208 L209 L337 I340	F79-I205 HydrophobicContact CD1-CD1 3.89Å; F79-I205 HydrophobicContact CE1-CD1 3.74Å; F79-I205 HydrophobicContact CE1-CG1 4.43Å; P81-I205 HydrophobicContact CG-CB 4.07Å; P81-I205 HydrophobicContact CG-CG1 4.2Å; I205-D207 VanDerWaalsContact C-N 3.32Å; I205-D207 PolarHBondContact O-N 3.38Å; I205-F208 PolarHBondContact O-N 3.39Å; I205-F208 VanDerWaalsContact O-N 3.1Å; I205-L209 HydrophobicContact CD1-CD1 4.06Å; I205-L209 HydrophobicContact CG1-CD1 3.79Å; I205-L209 HydrophobicContact CG1-CG 4.29Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.48Å; I205-L337 HydrophobicContact CD1-CB 4.28Å; I205-L337 HydrophobicContact CD1-CD2 3.96Å; I205-L337 WeakPolarHBondContact CD1-O 3.32Å; I205-I340 HydrophobicContact CD1-CB 4.17Å; I205-I340 HydrophobicContact CD1-CG2 3.83Å
206	E	89.8	Confident	76.1	Confident	42 Å²	42	84.4 Å²	84.4	20%	0.196	45%	0.451	C	S	.	.	H	α-helix	trans	-58.4	-43.4	176.2	-64.1	74.1	-162.4	0	0	110.6	T204 F208 L209 N210 E341 R344	T204-E206 VanDerWaalsContact C-N 3.27Å; T204-E206 WeakPolarHBondContact CB-OE2 3.29Å; T204-E206 PolarHBondContact OG1-N 2.77Å; T204-E206 PolarHBondContact OG1-OE2 3.47Å; E206-F208 VanDerWaalsContact C-N 3.26Å; E206-F208 PolarHBondContact O-N 3.07Å; E206-L209 PolarHBondContact O-N 2.84Å; E206-N210 WeakPolarHBondContact O-CB 3.33Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 3.49Å; E206-N210 VanDerWaalsContact O-ND2 3.15Å; E206-E341 HydrophobicContact CG-CG 4.37Å; E206-R344 WeakPolarHBondContact OE1-CD 3.35Å; E206-R344 IonicContact OE1-CZ 2.8Å; E206-R344 IonicContact OE1-NE 3.85Å; E206-R344 PolarHBondContact OE1-NE 3.42Å; E206-R344 IonicContact OE1-NH2 3.54Å; E206-R344 IonicContact OE2-NE 3.61Å; E206-R344 IonicContact OE2-NH2 3.57Å
207	D	84.2	Confident	76.6	Confident	72 Å²	72	82 Å²	82	39%	0.385	45%	0.448	S	S	.	.	H	α-helix	trans	-59.2	-37.5	177	-66.7	-28.2	0	0	0	112.3	K203 T204 I205 M211	K203-D207 VanDerWaalsContact CA-OD2 3.26Å; K203-D207 WeakPolarHBondContact CA-OD2 3.41Å; K203-D207 HydrophobicContact CB-CB 4.01Å; K203-D207 HydrophobicContact CG-CB 4.39Å; T204-D207 PolarHBondContact N-OD2 3.1Å; T204-D207 PolarHBondContact O-N 3.06Å; T204-D207 PolarHBondContact OG1-N 3.49Å; T204-D207 PolarHBondContact OG1-OD1 3.28Å; T204-D207 PolarHBondContact OG1-OD2 3.09Å; I205-D207 VanDerWaalsContact C-N 3.32Å; I205-D207 PolarHBondContact O-N 3.38Å; D207-M211 VanDerWaalsContact O-CG 3.3Å; D207-M211 WeakPolarHBondContact O-CG 3.42Å; D207-M211 PolarHBondContact O-N 2.96Å
208	F	81.9	Confident	77.2	Confident	37 Å²	37	78.3 Å²	78.3	16%	0.162	43%	0.431	C	S	.	.	H	α-helix	trans	-77.7	-32.6	178.9	-72.2	-73.6	0	0	0	113	K86 M89 K203 T204 I205 E206 M211	K86-F208 HydrophobicContact CD-CE2 4.28Å; K86-F208 HydrophobicContact CD-CZ 3.99Å; K86-F208 HydrophobicContact CG-CE1 4.36Å; K86-F208 HydrophobicContact CG-CE2 4.32Å; K86-F208 HydrophobicContact CG-CZ 4.18Å; M89-F208 HydrophobicContact CB-CB 4.33Å; M89-F208 HydrophobicContact CE-CB 3.4Å; M89-F208 HydrophobicContact CE-CD1 4.37Å; M89-F208 HydrophobicContact CE-CD2 3.98Å; M89-F208 HydrophobicContact CE-CG 3.69Å; M89-F208 HydrophobicContact CG-CB 4.5Å; M89-F208 HydrophobicContact SD-CB 3.37Å; M89-F208 WeakPolarHBondContact SD-CB 3.49Å; M89-F208 HydrophobicContact SD-CG 4.32Å; K203-F208 HydrophobicContact CB-CD2 4.16Å; K203-F208 HydrophobicContact CB-CE1 4.44Å; K203-F208 HydrophobicContact CB-CE2 3.48Å; K203-F208 VanDerWaalsContact CB-CE2 3.48Å; K203-F208 HydrophobicContact CB-CZ 3.65Å; K203-F208 HydrophobicContact CD-CE1 4.04Å; K203-F208 HydrophobicContact CD-CZ 3.98Å; K203-F208 HydrophobicContact CG-CZ 4.39Å; T204-F208 WeakPolarHBondContact O-CD2 3.27Å; T204-F208 PolarHBondContact O-N 3.02Å; I205-F208 PolarHBondContact O-N 3.39Å; I205-F208 VanDerWaalsContact O-N 3.1Å; E206-F208 VanDerWaalsContact C-N 3.26Å; E206-F208 PolarHBondContact O-N 3.07Å; F208-M211 HydrophobicContact CD1-SD 4.35Å; F208-M211 WeakPolarHBondContact O-CB 3.42Å
209	L	86.3	Confident	78.2	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.01	42%	0.417	C	S	.	.	H	α-helix	trans	-77	-37.5	176.9	-69	170.8	0	0	0	110.9	M89 I205 E206 M211 A212 Y334 L337 K338 E341	M89-L209 HydrophobicContact CG-CD2 4.11Å; M89-L209 HydrophobicContact SD-CD2 3.81Å; M89-L209 HydrophobicContact SD-CG 3.96Å; I205-L209 HydrophobicContact CD1-CD1 4.06Å; I205-L209 HydrophobicContact CG1-CD1 3.79Å; I205-L209 HydrophobicContact CG1-CG 4.29Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.48Å; E206-L209 PolarHBondContact O-N 2.84Å; L209-M211 PolarHBondContact O-N 2.93Å; L209-A212 WeakPolarHBondContact O-CA 3.44Å; L209-A212 VanDerWaalsContact O-CB 3.28Å; L209-A212 WeakPolarHBondContact O-CB 3.5Å; L209-A212 PolarHBondContact O-N 3.19Å; L209-Y334 HydrophobicContact CD2-CD2 4.37Å; L209-Y334 HydrophobicContact CD2-CE2 3.76Å; L209-L337 HydrophobicContact CD2-CB 4.29Å; L209-K338 HydrophobicContact CD1-CD 4.07Å; L209-K338 HydrophobicContact CD2-CD 3.99Å; L209-K338 HydrophobicContact CD2-CG 4.26Å; L209-K338 HydrophobicContact CG-CD 4.45Å; L209-E341 HydrophobicContact CD1-CB 3.75Å; L209-E341 HydrophobicContact CD1-CG 4.2Å
210	N	83.1	Confident	79.4	Confident	73 Å²	73	70.7 Å²	70.7	39%	0.39	39%	0.393	S	S	.	.	H	α-helix	trans	-67.7	-19.6	174.2	-70.9	-29.3	0	0	0	112.8	E206 A212 N213	E206-N210 WeakPolarHBondContact O-CB 3.33Å; E206-N210 PolarHBondContact O-N 3.34Å; E206-N210 PolarHBondContact O-ND2 3.49Å; E206-N210 VanDerWaalsContact O-ND2 3.15Å; N210-A212 PolarHBondContact O-N 3.47Å; N210-A212 VanDerWaalsContact O-N 3.14Å; N210-N213 WeakPolarHBondContact CA-ND2 3.28Å; N210-N213 WeakPolarHBondContact CB-ND2 3.28Å; N210-N213 WeakPolarHBondContact O-CB 3.47Å; N210-N213 VanDerWaalsContact O-CG 3.32Å; N210-N213 PolarHBondContact O-N 2.94Å; N210-N213 PolarHBondContact OD1-ND2 3.43Å
211	M	72.8	Confident	80.6	Confident	83 Å²	83	71.1 Å²	71.1	41%	0.409	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.6	166	-77	178	65.2	0	0	113.3	D207 F208 L209 W218	D207-M211 VanDerWaalsContact O-CG 3.3Å; D207-M211 WeakPolarHBondContact O-CG 3.42Å; D207-M211 PolarHBondContact O-N 2.96Å; F208-M211 HydrophobicContact CD1-SD 4.35Å; F208-M211 WeakPolarHBondContact O-CB 3.42Å; L209-M211 PolarHBondContact O-N 2.93Å; M211-W218 WeakPolarHBondContact O-CH2 3.26Å
212	A	67.3	Low	81.8	Confident	5 Å²	5	66.4 Å²	66.4	4%	0.041	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	8.5	170.2	0	0	0	0	0	112.3	L96 L209 N210 S214	L96-A212 HydrophobicContact CD1-CB 3.74Å; L209-A212 WeakPolarHBondContact O-CA 3.44Å; L209-A212 VanDerWaalsContact O-CB 3.28Å; L209-A212 WeakPolarHBondContact O-CB 3.5Å; L209-A212 PolarHBondContact O-N 3.19Å; N210-A212 PolarHBondContact O-N 3.47Å; N210-A212 VanDerWaalsContact O-N 3.14Å; A212-S214 PolarHBondContact O-N 3.4Å; A212-S214 VanDerWaalsContact O-N 3.16Å
213	N	69.8	Low	82.8	Confident	93 Å²	93	61.9 Å²	61.9	50%	0.497	32%	0.324	S	S	.	.	S	Bend	trans	-74.2	107.7	174.5	-67.1	-12.4	0	0	0	109	N210 E215 W218	N210-N213 WeakPolarHBondContact CA-ND2 3.28Å; N210-N213 WeakPolarHBondContact CB-ND2 3.28Å; N210-N213 WeakPolarHBondContact O-CB 3.47Å; N210-N213 VanDerWaalsContact O-CG 3.32Å; N210-N213 PolarHBondContact O-N 2.94Å; N210-N213 PolarHBondContact OD1-ND2 3.43Å; N213-E215 PolarHBondContact O-N 3.35Å; N213-W218 WeakPolarHBondContact O-CH2 3.39Å
214	S	65.9	Low	83.7	Confident	22 Å²	22	58.7 Å²	58.7	15%	0.154	31%	0.313	C	S	.	.			trans	-52.3	117.2	-172.3	-44.8	0	0	0	0	113.1	A212 R221 L222	A212-S214 PolarHBondContact O-N 3.4Å; A212-S214 VanDerWaalsContact O-N 3.16Å; S214-R221 WeakPolarHBondContact OG-CA 3.2Å; S214-R221 WeakPolarHBondContact OG-CG 3.42Å; S214-L222 PolarHBondContact OG-N 3.38Å
215	E	72.4	Confident	84.3	Confident	111 Å²	111	60.2 Å²	60.2	52%	0.519	31%	0.314	S	S	.	.			trans	-81.5	151.6	163.2	-60.8	171.5	175.5	0	0	109.3	N213 S217 W218	N213-E215 PolarHBondContact O-N 3.35Å; E215-S217 PolarHBondContact O-N 3.17Å; E215-W218 HydrophobicContact CB-CD2 4.48Å; E215-W218 HydrophobicContact CB-CG 4.27Å; E215-W218 HydrophobicContact CG-CZ2 4.09Å; E215-W218 PolarHBondContact O-N 3.12Å; E215-W218 PolarHBondContact OE2-NE1 3.38Å
216	S	75.8	Confident	84.9	Confident	120 Å²	120	62.3 Å²	62.3	84%	0.839	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.5	-178.5	-54.1	0	0	0	0	114.3
217	S	86	Confident	85.3	Confident	97 Å²	97	60.8 Å²	60.8	68%	0.678	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.1	179.2	60	0	0	0	0	114.5	E215	E215-S217 PolarHBondContact O-N 3.17Å
218	W	89.4	Confident	86	Confident	38 Å²	38	58.1 Å²	58.1	14%	0.144	31%	0.305	C	S	.	.	S	Bend	trans	-78.5	149.8	-176.3	-71.5	16.8	0	0	0	111.7	L96 K97 M211 N213 E215 H220	L96-W218 HydrophobicContact CB-CE3 3.79Å; L96-W218 HydrophobicContact CB-CZ3 4.14Å; L96-W218 HydrophobicContact CD1-CZ3 4.46Å; K97-W218 HydrophobicContact CB-CD2 4.17Å; K97-W218 HydrophobicContact CB-CG 4.29Å; K97-W218 HydrophobicContact CG-CD2 4.36Å; K97-W218 HydrophobicContact CG-CG 4.19Å; M211-W218 WeakPolarHBondContact O-CH2 3.26Å; N213-W218 WeakPolarHBondContact O-CH2 3.39Å; E215-W218 HydrophobicContact CB-CD2 4.48Å; E215-W218 HydrophobicContact CB-CG 4.27Å; E215-W218 HydrophobicContact CG-CZ2 4.09Å; E215-W218 PolarHBondContact O-N 3.12Å; E215-W218 PolarHBondContact OE2-NE1 3.38Å; W218-H220 VanDerWaalsContact C-N 3.34Å; W218-H220 PolarHBondContact O-N 3.32Å
219	K	93	Very high	86.7	Confident	131 Å²	131	56.7 Å²	56.7	57%	0.57	30%	0.3	S	S	*	.	S	Bend	trans	-65.9	-34.8	-177.2	-170	179.3	178.6	176.9	0	113.5	L96 K97 N98	L96-K219 PolarHBondContact O-N 3.22Å; L96-K219 VanDerWaalsContact O-N 3.15Å; K97-K219 PolarHBondContact O-N 2.97Å; N98-K219 WeakPolarHBondContact O-CD 3.14Å
220	H	93.7	Very high	87	Confident	35 Å²	35	57.6 Å²	57.6	16%	0.162	31%	0.307	C	S	.	.			trans	-132.6	150.1	-179.8	-55.1	-74.9	0	0	0	111.6	F95 L96 W218 L298 D299	F95-H220 AromaticContact CZ-CD2 3.98Å; F95-H220 PolarHBondContact O-CD2 2.85Å; L96-H220 HydrophobicContact CD2-CB 3.92Å; L96-H220 PolarHBondContact O-N 2.86Å; W218-H220 VanDerWaalsContact C-N 3.34Å; W218-H220 PolarHBondContact O-N 3.32Å; H220-L298 HydrophobicContact CB-CD1 3.81Å; H220-D299 WeakPolarHBondContact CA-OD1 3.11Å; H220-D299 IonicContact CE1-OD2 3.74Å; H220-D299 IonicContact CG-OD2 3.56Å; H220-D299 IonicContact ND1-OD2 3.94Å; H220-D299 PolarHBondContact ND1-OD2 3.33Å
221	R	92.1	Very high	87.5	Confident	107 Å²	107	57.9 Å²	57.9	40%	0.404	31%	0.313	S	S	.	.			trans	-113.4	123.8	177.3	177.8	170.6	-63.8	-85.3	-5.5	110.7	S214 L298 D299	S214-R221 WeakPolarHBondContact OG-CA 3.2Å; S214-R221 WeakPolarHBondContact OG-CG 3.42Å; R221-L298 WeakPolarHBondContact O-CA 3.18Å; R221-D299 PolarHBondContact N-OD1 2.95Å; R221-D299 PolarHBondContact O-N 3.25Å
222	L	93.4	Very high	88.6	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.11	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.4	170.5	-175.3	74.8	0	0	0	109.9	L96 S214 Y297 Y334	L96-L222 HydrophobicContact CD1-CB 3.78Å; L96-L222 HydrophobicContact CD1-CD2 4.42Å; L96-L222 HydrophobicContact CD2-CB 3.96Å; S214-L222 PolarHBondContact OG-N 3.38Å; L222-Y297 CarbonylContact C-O 3.52Å; L222-Y297 WeakPolarHBondContact CA-O 3.39Å; L222-Y297 WeakPolarHBondContact CD1-O 3.23Å; L222-Y334 HydrophobicContact CD2-CE1 3.79Å; L222-Y334 VanDerWaalsContact CD2-OH 3.26Å; L222-Y334 WeakPolarHBondContact CD2-OH 3.5Å
223	S	93.4	Very high	90	Very high	37 Å²	37	58 Å²	58	26%	0.259	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.1	167.6	72.2	0	0	0	0	110.4	Y297	S223-Y297 PolarHBondContact N-O 2.95Å; S223-Y297 PolarHBondContact O-N 3.49Å; S223-Y297 WeakPolarHBondContact OG-CB 3.23Å
224	V	95.7	Very high	91.3	Very high	40 Å²	40	58.3 Å²	58.3	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.4	-179.1	-157.3	0	0	0	0	109.7	Y294 Q295 F296	V224-Y294 HydrophobicContact CB-CE2 3.87Å; V224-Y294 HydrophobicContact CG1-CD1 4.28Å; V224-Y294 HydrophobicContact CG1-CD2 3.49Å; V224-Y294 VanDerWaalsContact CG1-CD2 3.49Å; V224-Y294 HydrophobicContact CG1-CE1 3.99Å; V224-Y294 HydrophobicContact CG1-CE2 3.14Å; V224-Y294 HydrophobicContact CG1-CG 4.04Å; V224-Q295 CarbonylContact C-O 3.6Å; V224-Q295 VanDerWaalsContact CA-O 3.23Å; V224-Q295 WeakPolarHBondContact CA-O 3.43Å; V224-Q295 WeakPolarHBondContact CG1-O 3.43Å; V224-F296 HydrophobicContact CB-CD1 4.47Å; V224-F296 HydrophobicContact CG1-CD1 3.84Å; V224-F296 HydrophobicContact CG1-CD2 4.16Å; V224-F296 HydrophobicContact CG1-CE1 3.86Å; V224-F296 HydrophobicContact CG1-CE2 4.16Å; V224-F296 HydrophobicContact CG1-CG 3.99Å; V224-F296 HydrophobicContact CG1-CZ 4.01Å; V224-F296 HydrophobicContact CG2-CD1 3.71Å; V224-F296 HydrophobicContact CG2-CE1 3.95Å; V224-F296 HydrophobicContact CG2-CG 4.44Å
225	K	97.9	Very high	92.9	Very high	93 Å²	93	61.8 Å²	61.8	40%	0.404	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.1	-177.5	-60.4	-177.3	-178.3	177.1	0	109.9	L227 Y294 Q295 Y297	K225-L227 HydrophobicContact CB-CD2 4.04Å; K225-L227 HydrophobicContact CB-CG 4.4Å; K225-Y294 CarbonylContact O-C 3.53Å; K225-Y294 WeakPolarHBondContact O-CA 3.21Å; K225-Y294 WeakPolarHBondContact O-CD2 3.3Å; K225-Q295 PolarHBondContact N-O 2.76Å; K225-Q295 PolarHBondContact O-N 3.12Å; K225-Y297 HydrophobicContact CB-CE2 4.34Å; K225-Y297 HydrophobicContact CD-CD2 4.39Å; K225-Y297 HydrophobicContact CD-CE2 3.94Å; K225-Y297 HydrophobicContact CG-CD2 4.38Å; K225-Y297 HydrophobicContact CG-CE2 4.19Å
226	L	98.7	Very high	94.1	Very high	50 Å²	50	56.7 Å²	56.7	26%	0.262	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.4	176.4	-177.3	72.3	0	0	0	108.8	P287 F292 Y294 L308 I310 L342	L226-P287 HydrophobicContact CD2-CB 4.08Å; L226-P287 HydrophobicContact CD2-CG 3.84Å; L226-F292 HydrophobicContact CD1-CB 3.61Å; L226-F292 HydrophobicContact CD1-CD1 4.41Å; L226-F292 HydrophobicContact CD1-CG 4.16Å; L226-F292 HydrophobicContact CD2-CD1 4.39Å; L226-F292 HydrophobicContact CG-CB 4.16Å; L226-F292 HydrophobicContact CG-CD1 4.04Å; L226-F292 HydrophobicContact CG-CG 4.28Å; L226-Y294 HydrophobicContact CB-CD2 4.01Å; L226-Y294 HydrophobicContact CB-CE2 4.36Å; L226-Y294 HydrophobicContact CD1-CD2 3.96Å; L226-Y294 HydrophobicContact CD1-CG 4.18Å; L226-L308 HydrophobicContact CD1-CD1 4.29Å; L226-I310 HydrophobicContact CD2-CD1 3.89Å; L226-L342 HydrophobicContact CD1-CD2 4.11Å; L226-L342 HydrophobicContact CD2-CD1 4.4Å; L226-L342 HydrophobicContact CD2-CD2 4.26Å
227	L	98.5	Very high	95.2	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.052	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.3	-172.2	-52.5	-172.5	0	0	0	110.8	K225 S229 E235 F236 F292 H293 Q295	K225-L227 HydrophobicContact CB-CD2 4.04Å; K225-L227 HydrophobicContact CB-CG 4.4Å; L227-S229 PolarHBondContact O-N 3.43Å; L227-E235 HydrophobicContact CD1-CB 4.05Å; L227-E235 HydrophobicContact CD2-CB 3.97Å; L227-F236 HydrophobicContact CB-CB 4.2Å; L227-F236 HydrophobicContact CB-CD2 4.36Å; L227-F292 CarbonylContact O-C 3.59Å; L227-F292 WeakPolarHBondContact O-CA 3.13Å; L227-F292 WeakPolarHBondContact O-CB 3.44Å; L227-H293 PolarHBondContact N-O 2.99Å; L227-H293 PolarHBondContact O-N 2.89Å; L227-Q295 VanDerWaalsContact CD1-CD 3.49Å; L227-Q295 HydrophobicContact CD1-CG 4.37Å; L227-Q295 VanDerWaalsContact CD1-OE1 3.26Å
228	C	98	Very high	95.8	Very high	15 Å²	15	57.3 Å²	57.3	10%	0.101	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.7	175.5	-174	0	0	0	0	109.5	P231 P232 C233 F236 F292	C228-P231 PolarHBondContact SG-O 3.1Å; C228-P232 WeakPolarHBondContact O-CA 3.31Å; C228-C233 HydrophobicContact CB-CB 4.35Å; C228-C233 PolarHBondContact O-N 3.3Å; C228-F236 WeakPolarHBondContact O-CB 3.25Å; C228-F292 HydrophobicContact CB-CD1 4.12Å; C228-F292 HydrophobicContact CB-CE1 3.91Å
229	S	97.2	Very high	96.2	Very high	7 Å²	7	56.4 Å²	56.4	5%	0.049	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-14.8	-178.8	78.3	0	0	0	0	113.4	L227 C272 S291	L227-S229 PolarHBondContact O-N 3.43Å; S229-C272 PolarHBondContact OG-O 2.81Å; S229-S291 PolarHBondContact N-O 2.81Å; S229-S291 PolarHBondContact OG-O 2.83Å
230	S	93.1	Very high	96.5	Very high	22 Å²	22	50.7 Å²	50.7	15%	0.154	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	109	-176.1	-173.7	0	0	0	0	111.8	S274	S230-S274 VanDerWaalsContact CB-CB 3.4Å
231	P	92.6	Very high	96.7	Very high	79 Å²	79	50.8 Å²	50.8	51%	0.513	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	cis	-59.9	144.5	-11.2	28.8	-33.9	0	0	0	110.1	C228 C233	C228-P231 PolarHBondContact SG-O 3.1Å; P231-C233 PolarHBondContact O-N 2.88Å
232	P	96.1	Very high	97	Very high	55 Å²	55	50.2 Å²	50.2	36%	0.357	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-65.6	130.7	-178.3	27.4	-33.5	0	0	0	110.3	C228 F236 E237	C228-P232 WeakPolarHBondContact O-CA 3.31Å; P232-F236 HydrophobicContact CB-CB 4.42Å; P232-F236 HydrophobicContact CB-CD1 3.46Å; P232-F236 VanDerWaalsContact CB-CD1 3.46Å; P232-F236 HydrophobicContact CB-CE1 4.08Å; P232-F236 HydrophobicContact CB-CG 4.22Å; P232-E237 HydrophobicContact CB-CG 4Å; P232-E237 WeakPolarHBondContact CB-OE1 3.23Å; P232-E237 HydrophobicContact CG-CG 4.25Å; P232-E237 WeakPolarHBondContact CG-OE1 3.44Å
233	C	96.6	Very high	97.3	Very high	36 Å²	36	49.2 Å²	49.2	24%	0.243	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-76	165.9	169.7	71.4	0	0	0	0	110.7	C228 P231 E235 F236 E237	C228-C233 HydrophobicContact CB-CB 4.35Å; C228-C233 PolarHBondContact O-N 3.3Å; P231-C233 PolarHBondContact O-N 2.88Å; C233-E235 VanDerWaalsContact C-N 3.35Å; C233-E235 PolarHBondContact O-N 3.49Å; C233-F236 VanDerWaalsContact O-CB 3.32Å; C233-F236 WeakPolarHBondContact O-CB 3.26Å; C233-F236 PolarHBondContact O-N 3.16Å; C233-E237 PolarHBondContact O-N 2.81Å
234	T	98.2	Very high	97.5	Very high	99 Å²	99	48.6 Å²	48.6	61%	0.607	27%	0.271	S	S	*	.	H	α-helix	trans	-53.7	-49.9	-177.3	-53.4	0	0	0	0	112.1	F236 E237 E238	T234-F236 PolarHBondContact O-N 3.49Å; T234-E237 PolarHBondContact O-N 3.07Å; T234-E237 VanDerWaalsContact O-N 3.11Å; T234-E238 HydrophobicContact CG2-CG 4.47Å; T234-E238 WeakPolarHBondContact O-CG 3.45Å; T234-E238 PolarHBondContact O-N 3.2Å
235	E	98.2	Very high	97.7	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.444	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-27	-179.2	-58.6	93.5	145	0	0	112.4	L227 C233 T239	L227-E235 HydrophobicContact CD1-CB 4.05Å; L227-E235 HydrophobicContact CD2-CB 3.97Å; C233-E235 VanDerWaalsContact C-N 3.35Å; C233-E235 PolarHBondContact O-N 3.49Å; E235-T239 WeakPolarHBondContact O-CB 3.29Å; E235-T239 VanDerWaalsContact O-CG2 3.25Å; E235-T239 WeakPolarHBondContact O-CG2 3.24Å; E235-T239 PolarHBondContact O-N 3.37Å; E235-T239 VanDerWaalsContact O-N 3.13Å; E235-T239 PolarHBondContact O-OG1 3.37Å
236	F	98.5	Very high	97.7	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-44.2	174.2	179.2	-86.6	0	0	0	110.8	L227 C228 P232 C233 T234 T239 F240 C272 H293	L227-F236 HydrophobicContact CB-CB 4.2Å; L227-F236 HydrophobicContact CB-CD2 4.36Å; C228-F236 WeakPolarHBondContact O-CB 3.25Å; P232-F236 HydrophobicContact CB-CB 4.42Å; P232-F236 HydrophobicContact CB-CD1 3.46Å; P232-F236 VanDerWaalsContact CB-CD1 3.46Å; P232-F236 HydrophobicContact CB-CE1 4.08Å; P232-F236 HydrophobicContact CB-CG 4.22Å; C233-F236 VanDerWaalsContact O-CB 3.32Å; C233-F236 WeakPolarHBondContact O-CB 3.26Å; C233-F236 PolarHBondContact O-N 3.16Å; T234-F236 PolarHBondContact O-N 3.49Å; F236-T239 PolarHBondContact O-N 3.02Å; F236-T239 PolarHBondContact O-OG1 2.87Å; F236-F240 AromaticContact CE1-CD2 3.95Å; F236-F240 HydrophobicContact CE1-CD2 3.95Å; F236-F240 HydrophobicContact CZ-CD2 4.32Å; F236-F240 PolarHBondContact O-N 2.99Å; F236-F240 VanDerWaalsContact O-N 3.07Å; F236-C272 HydrophobicContact CE1-CB 4.41Å; F236-C272 HydrophobicContact CZ-CB 3.86Å; F236-H293 HydrophobicContact CD2-CB 4.31Å; F236-H293 HydrophobicContact CE2-CB 4.07Å; F236-H293 AromaticContact CE2-CD2 3.75Å; F236-H293 AromaticContact CE2-CE1 3.82Å; F236-H293 AromaticContact CE2-CG 3.59Å; F236-H293 AromaticContact CE2-ND1 3.65Å; F236-H293 AromaticContact CE2-NE2 3.9Å
237	E	98.4	Very high	97.7	Very high	88 Å²	88	46 Å²	46	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-44	176.9	-67.5	-68.1	-176.2	0	0	111.2	P232 C233 T234 T239 F240	P232-E237 HydrophobicContact CB-CG 4Å; P232-E237 WeakPolarHBondContact CB-OE1 3.23Å; P232-E237 HydrophobicContact CG-CG 4.25Å; P232-E237 WeakPolarHBondContact CG-OE1 3.44Å; C233-E237 PolarHBondContact O-N 2.81Å; T234-E237 PolarHBondContact O-N 3.07Å; T234-E237 VanDerWaalsContact O-N 3.11Å; E237-T239 VanDerWaalsContact C-N 3.25Å; E237-T239 PolarHBondContact O-N 3.31Å; E237-F240 VanDerWaalsContact O-CB 3.31Å; E237-F240 WeakPolarHBondContact O-CB 3.16Å; E237-F240 PolarHBondContact O-N 3.46Å
238	E	98.4	Very high	97.7	Very high	141 Å²	141	49 Å²	49	66%	0.659	27%	0.271	S	S	*	.	H	α-helix	trans	-58.3	-37.3	177.8	-71.7	173.9	172.7	0	0	112.5	T234	T234-E238 HydrophobicContact CG2-CG 4.47Å; T234-E238 WeakPolarHBondContact O-CG 3.45Å; T234-E238 PolarHBondContact O-N 3.2Å
239	T	98.4	Very high	97.8	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.117	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.1	-176.1	62.2	0	0	0	0	113.2	E235 F236 E237 G241 D242 S243 Q295 Y297	E235-T239 WeakPolarHBondContact O-CB 3.29Å; E235-T239 VanDerWaalsContact O-CG2 3.25Å; E235-T239 WeakPolarHBondContact O-CG2 3.24Å; E235-T239 PolarHBondContact O-N 3.37Å; E235-T239 VanDerWaalsContact O-N 3.13Å; E235-T239 PolarHBondContact O-OG1 3.37Å; F236-T239 PolarHBondContact O-N 3.02Å; F236-T239 PolarHBondContact O-OG1 2.87Å; E237-T239 VanDerWaalsContact C-N 3.25Å; E237-T239 PolarHBondContact O-N 3.31Å; T239-G241 PolarHBondContact O-N 3.47Å; T239-D242 PolarHBondContact O-N 3.48Å; T239-S243 WeakPolarHBondContact O-CB 3.24Å; T239-S243 PolarHBondContact O-N 3.45Å; T239-Q295 PolarHBondContact OG1-NE2 2.89Å; T239-Q295 PolarHBondContact OG1-OE1 2.89Å; T239-Y297 WeakPolarHBondContact CG2-OH 3.33Å
240	F	98.7	Very high	97.8	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-44.2	-174.8	179.4	-82.7	0	0	0	111.8	F236 E237 S243 F244 E264 Y267 R268 C272	F236-F240 AromaticContact CE1-CD2 3.95Å; F236-F240 HydrophobicContact CE1-CD2 3.95Å; F236-F240 HydrophobicContact CZ-CD2 4.32Å; F236-F240 PolarHBondContact O-N 2.99Å; F236-F240 VanDerWaalsContact O-N 3.07Å; E237-F240 VanDerWaalsContact O-CB 3.31Å; E237-F240 WeakPolarHBondContact O-CB 3.16Å; E237-F240 PolarHBondContact O-N 3.46Å; F240-S243 PolarHBondContact O-N 3.11Å; F240-F244 PolarHBondContact O-N 2.96Å; F240-E264 VanDerWaalsContact CE1-CD 3.46Å; F240-E264 HydrophobicContact CE1-CG 3.42Å; F240-E264 VanDerWaalsContact CE1-CG 3.42Å; F240-E264 WeakPolarHBondContact CE1-OE1 3.42Å; F240-E264 HydrophobicContact CZ-CG 3.76Å; F240-Y267 HydrophobicContact CD2-CE1 4.31Å; F240-Y267 HydrophobicContact CE1-CD1 4.42Å; F240-Y267 HydrophobicContact CE1-CE1 4.43Å; F240-Y267 HydrophobicContact CE2-CD1 4.11Å; F240-Y267 AromaticContact CE2-CE1 3.76Å; F240-Y267 HydrophobicContact CE2-CE1 3.76Å; F240-Y267 AromaticContact CZ-CD1 3.75Å; F240-Y267 HydrophobicContact CZ-CD1 3.75Å; F240-Y267 AromaticContact CZ-CE1 3.81Å; F240-Y267 HydrophobicContact CZ-CE1 3.81Å; F240-R268 HydrophobicContact CE2-CB 4.44Å; F240-R268 HydrophobicContact CE2-CG 4.47Å; F240-R268 HydrophobicContact CZ-CB 4.2Å; F240-C272 HydrophobicContact CE2-CB 4.43Å
241	G	98.7	Very high	98	Very high	37 Å²	37	51.3 Å²	51.3	38%	0.381	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-45.4	179.5	0	0	0	0	0	112.9	T239 S243 F244 N245	T239-G241 PolarHBondContact O-N 3.47Å; G241-S243 VanDerWaalsContact C-N 3.34Å; G241-S243 PolarHBondContact O-N 2.64Å; G241-F244 PolarHBondContact O-N 3.21Å; G241-N245 WeakPolarHBondContact O-CB 3.23Å; G241-N245 VanDerWaalsContact O-CG 3.31Å; G241-N245 PolarHBondContact O-N 2.97Å; G241-N245 PolarHBondContact O-ND2 3.42Å
242	D	98.7	Very high	98.3	Very high	95 Å²	95	49.6 Å²	49.6	51%	0.508	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-42.7	176.7	-69.5	-25.8	0	0	0	111.7	T239 N245 L246 L302	T239-D242 PolarHBondContact O-N 3.48Å; D242-N245 PolarHBondContact O-N 2.89Å; D242-L246 WeakPolarHBondContact O-CB 3.43Å; D242-L246 PolarHBondContact O-N 2.68Å; D242-L302 HydrophobicContact CB-CB 4.49Å; D242-L302 HydrophobicContact CB-CD2 4.09Å
243	S	98.8	Very high	98.3	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-42.4	177.6	-168.1	0	0	0	0	111.7	T239 F240 G241 L246 Y247 Y267 F321	T239-S243 WeakPolarHBondContact O-CB 3.24Å; T239-S243 PolarHBondContact O-N 3.45Å; F240-S243 PolarHBondContact O-N 3.11Å; G241-S243 VanDerWaalsContact C-N 3.34Å; G241-S243 PolarHBondContact O-N 2.64Å; S243-L246 PolarHBondContact O-N 2.86Å; S243-Y247 WeakPolarHBondContact O-CB 3.45Å; S243-Y247 PolarHBondContact O-N 3.46Å; S243-Y267 WeakPolarHBondContact CB-OH 3.44Å; S243-Y267 PolarHBondContact OG-OH 3.28Å; S243-F321 WeakPolarHBondContact O-CE2 3.49Å
244	F	98.8	Very high	98.1	Very high	24 Å²	24	51.7 Å²	51.7	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-43.8	174.2	172.2	-118	0	0	0	112.3	F240 G241 L246 Y247 K248 V262 T263 E264 Y267	F240-F244 PolarHBondContact O-N 2.96Å; G241-F244 PolarHBondContact O-N 3.21Å; F244-L246 VanDerWaalsContact C-N 3.32Å; F244-L246 PolarHBondContact O-N 3.03Å; F244-Y247 HydrophobicContact CD2-CD1 4.37Å; F244-Y247 WeakPolarHBondContact O-CB 3.5Å; F244-Y247 PolarHBondContact O-N 2.83Å; F244-K248 HydrophobicContact CZ-CD 4.21Å; F244-K248 WeakPolarHBondContact O-CB 3.49Å; F244-K248 PolarHBondContact O-N 3.32Å; F244-V262 HydrophobicContact CE2-CG1 4.49Å; F244-T263 VanDerWaalsContact CE2-C 3.41Å; F244-E264 HydrophobicContact CD1-CB 4.33Å; F244-E264 HydrophobicContact CD1-CG 4.41Å; F244-E264 HydrophobicContact CD2-CB 4.48Å; F244-E264 HydrophobicContact CE1-CB 4.13Å; F244-E264 HydrophobicContact CE2-CB 4.31Å; F244-E264 HydrophobicContact CG-CB 4.5Å; F244-E264 HydrophobicContact CG-CG 4.37Å; F244-E264 HydrophobicContact CZ-CB 4.13Å; F244-E264 VanDerWaalsContact CZ-N 3.3Å; F244-Y267 HydrophobicContact CB-CD1 3.84Å; F244-Y267 HydrophobicContact CB-CE1 3.98Å; F244-Y267 AromaticContact CD2-CD1 3.81Å; F244-Y267 HydrophobicContact CD2-CD1 3.81Å; F244-Y267 AromaticContact CD2-CG 3.77Å; F244-Y267 HydrophobicContact CD2-CG 3.77Å; F244-Y267 HydrophobicContact CG-CD1 4.23Å
245	N	98.8	Very high	97.7	Very high	97 Å²	97	50.7 Å²	50.7	52%	0.519	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-41.6	177.6	-75	-31.2	0	0	0	111.7	G241 D242 K248 K249	G241-N245 WeakPolarHBondContact O-CB 3.23Å; G241-N245 VanDerWaalsContact O-CG 3.31Å; G241-N245 PolarHBondContact O-N 2.97Å; G241-N245 PolarHBondContact O-ND2 3.42Å; D242-N245 PolarHBondContact O-N 2.89Å; N245-K248 PolarHBondContact O-N 3.17Å; N245-K249 PolarHBondContact O-N 3Å
246	L	98.8	Very high	97.4	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-45	174.3	-176.3	63.5	0	0	0	111.9	D242 S243 F244 K248 K249 Y250 L302 V305 F321 D323	D242-L246 WeakPolarHBondContact O-CB 3.43Å; D242-L246 PolarHBondContact O-N 2.68Å; S243-L246 PolarHBondContact O-N 2.86Å; F244-L246 VanDerWaalsContact C-N 3.32Å; F244-L246 PolarHBondContact O-N 3.03Å; L246-K248 VanDerWaalsContact C-N 3.34Å; L246-K248 PolarHBondContact O-N 3.26Å; L246-K249 PolarHBondContact O-N 3.06Å; L246-Y250 WeakPolarHBondContact O-CB 3.44Å; L246-Y250 PolarHBondContact O-N 3.36Å; L246-L302 HydrophobicContact CD2-CG 4.14Å; L246-V305 HydrophobicContact CD2-CG2 4.23Å; L246-F321 HydrophobicContact CB-CD2 4.44Å; L246-F321 HydrophobicContact CB-CE2 4.22Å; L246-F321 HydrophobicContact CD2-CD2 4.2Å; L246-F321 HydrophobicContact CD2-CE2 4.17Å; L246-F321 HydrophobicContact CG-CD2 3.99Å; L246-F321 HydrophobicContact CG-CE2 4.16Å; L246-D323 HydrophobicContact CD1-CB 3.89Å
247	Y	98.7	Very high	97.1	Very high	20 Å²	20	55.2 Å²	55.2	8%	0.078	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-45.8	174.6	172.6	-103	0	0	0	111.3	S243 F244 K249 Y250 Q251 V262 Y267 L271 Y319 F321	S243-Y247 WeakPolarHBondContact O-CB 3.45Å; S243-Y247 PolarHBondContact O-N 3.46Å; F244-Y247 HydrophobicContact CD2-CD1 4.37Å; F244-Y247 WeakPolarHBondContact O-CB 3.5Å; F244-Y247 PolarHBondContact O-N 2.83Å; Y247-K249 PolarHBondContact O-N 2.92Å; Y247-Y250 PolarHBondContact O-N 2.86Å; Y247-Q251 HydrophobicContact CD1-CG 4.18Å; Y247-Q251 HydrophobicContact CD2-CG 4.02Å; Y247-Q251 HydrophobicContact CE1-CG 3.74Å; Y247-Q251 HydrophobicContact CE2-CG 3.55Å; Y247-Q251 HydrophobicContact CG-CG 4.32Å; Y247-Q251 WeakPolarHBondContact O-CG 3.31Å; Y247-Q251 PolarHBondContact O-N 3.01Å; Y247-V262 HydrophobicContact CD1-CG1 3.93Å; Y247-V262 HydrophobicContact CE1-CG1 3.67Å; Y247-Y267 AromaticContact CD1-CD2 3.53Å; Y247-Y267 HydrophobicContact CD1-CD2 3.53Å; Y247-Y267 HydrophobicContact CD1-CE2 4.42Å; Y247-Y267 HydrophobicContact CD1-CG 4.02Å; Y247-Y267 HydrophobicContact CD2-CD2 4.02Å; Y247-Y267 HydrophobicContact CD2-CE2 4.36Å; Y247-Y267 HydrophobicContact CE1-CD2 4.01Å; Y247-Y267 HydrophobicContact CE1-CG 4.44Å; Y247-Y267 HydrophobicContact CE2-CD2 4.46Å; Y247-Y267 AromaticContact CG-CD2 3.52Å; Y247-Y267 HydrophobicContact CG-CD2 3.52Å; Y247-Y267 AromaticContact CG-CE2 4Å; Y247-Y267 HydrophobicContact CG-CE2 4Å; Y247-Y267 HydrophobicContact CG-CG 4.41Å; Y247-L271 HydrophobicContact CD2-CD1 3.82Å; Y247-L271 HydrophobicContact CE2-CD1 3.73Å; Y247-Y319 HydrophobicContact CD2-CE1 4.37Å; Y247-Y319 AromaticContact CE2-CE1 3.96Å; Y247-Y319 HydrophobicContact CE2-CE1 3.96Å; Y247-F321 HydrophobicContact CD2-CD1 4.17Å; Y247-F321 HydrophobicContact CD2-CD2 4.5Å; Y247-F321 HydrophobicContact CD2-CE1 4.36Å; Y247-F321 HydrophobicContact CD2-CG 4.22Å
248	K	98.7	Very high	97	Very high	73 Å²	73	56.4 Å²	56.4	32%	0.317	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-44.4	178.1	-173.8	173.3	-176.7	176.4	0	112	F244 N245 L246 Y250 Q251 T252 P259 V262	F244-K248 HydrophobicContact CZ-CD 4.21Å; F244-K248 WeakPolarHBondContact O-CB 3.49Å; F244-K248 PolarHBondContact O-N 3.32Å; N245-K248 PolarHBondContact O-N 3.17Å; L246-K248 VanDerWaalsContact C-N 3.34Å; L246-K248 PolarHBondContact O-N 3.26Å; K248-Y250 VanDerWaalsContact C-N 3.32Å; K248-Y250 PolarHBondContact O-N 3.2Å; K248-Q251 PolarHBondContact O-N 3.41Å; K248-T252 WeakPolarHBondContact O-CB 3.46Å; K248-T252 VanDerWaalsContact O-CG2 3.29Å; K248-T252 WeakPolarHBondContact O-CG2 3.43Å; K248-T252 PolarHBondContact O-N 3.37Å; K248-T252 PolarHBondContact O-OG1 3.27Å; K248-P259 VanDerWaalsContact CE-O 3.3Å; K248-P259 WeakPolarHBondContact CE-O 3.5Å; K248-V262 HydrophobicContact CB-CG1 4.11Å; K248-V262 HydrophobicContact CG-CB 4.23Å; K248-V262 HydrophobicContact CG-CG1 4.05Å
249	K	98.5	Very high	96.8	Very high	66 Å²	66	53.5 Å²	53.5	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-45.1	173.3	-173.3	-178.5	-175.8	-177.2	0	111.2	N245 L246 Y247 T252 F253 D323 P324 D325	N245-K249 PolarHBondContact O-N 3Å; L246-K249 PolarHBondContact O-N 3.06Å; Y247-K249 PolarHBondContact O-N 2.92Å; K249-T252 PolarHBondContact O-OG1 3.02Å; K249-T252 VanDerWaalsContact O-OG1 3.1Å; K249-F253 VanDerWaalsContact O-CB 3.26Å; K249-F253 WeakPolarHBondContact O-CB 2.76Å; K249-F253 PolarHBondContact O-N 2.79Å; K249-D323 WeakPolarHBondContact CE-OD1 3.47Å; K249-D323 VanDerWaalsContact NZ-CG 3.27Å; K249-D323 IonicContact NZ-OD1 2.64Å; K249-D323 PolarHBondContact NZ-OD1 3.25Å; K249-D323 IonicContact NZ-OD2 3.65Å; K249-D323 PolarHBondContact NZ-OD2 3.02Å; K249-D323 VanDerWaalsContact NZ-OD2 3.12Å; K249-P324 HydrophobicContact CG-CG 4.35Å; K249-D325 IonicContact NZ-OD2 3.59Å; K249-D325 PolarHBondContact NZ-OD2 2.98Å
250	Y	98.3	Very high	96.7	Very high	13 Å²	13	60.4 Å²	60.4	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-48.6	179.5	-177	-93.4	0	0	0	112.6	L246 Y247 K248 T252 F253 V254 H255 F321 Y322	L246-Y250 WeakPolarHBondContact O-CB 3.44Å; L246-Y250 PolarHBondContact O-N 3.36Å; Y247-Y250 PolarHBondContact O-N 2.86Å; K248-Y250 VanDerWaalsContact C-N 3.32Å; K248-Y250 PolarHBondContact O-N 3.2Å; Y250-T252 PolarHBondContact O-N 3.43Å; Y250-F253 PolarHBondContact O-N 3.44Å; Y250-V254 HydrophobicContact CD1-CB 4.46Å; Y250-V254 HydrophobicContact CD2-CB 4.35Å; Y250-V254 HydrophobicContact CD2-CG2 3.7Å; Y250-V254 HydrophobicContact CE1-CB 4.21Å; Y250-V254 HydrophobicContact CE1-CG1 4.29Å; Y250-V254 HydrophobicContact CE2-CB 4.11Å; Y250-V254 HydrophobicContact CE2-CG1 4.27Å; Y250-V254 HydrophobicContact CE2-CG2 3.58Å; Y250-V254 HydrophobicContact CG-CG2 4.27Å; Y250-V254 VanDerWaalsContact O-CB 3.28Å; Y250-V254 WeakPolarHBondContact O-CB 3.19Å; Y250-V254 PolarHBondContact O-N 2.8Å; Y250-H255 AromaticContact CE1-CD2 3.76Å; Y250-H255 AromaticContact CE1-NE2 3.59Å; Y250-F321 HydrophobicContact CD1-CB 3.66Å; Y250-F321 HydrophobicContact CD2-CB 4.16Å; Y250-F321 HydrophobicContact CE1-CB 4.15Å; Y250-F321 HydrophobicContact CG-CB 3.65Å; Y250-Y322 HydrophobicContact CD2-CD1 4.22Å; Y250-Y322 HydrophobicContact CD2-CE1 4.42Å; Y250-Y322 VanDerWaalsContact CD2-O 3.25Å; Y250-Y322 WeakPolarHBondContact CD2-O 3.5Å; Y250-Y322 AromaticContact CE2-CD1 3.71Å; Y250-Y322 HydrophobicContact CE2-CD1 3.71Å; Y250-Y322 AromaticContact CE2-CE1 3.61Å; Y250-Y322 HydrophobicContact CE2-CE1 3.61Å
251	Q	97.5	Very high	96.6	Very high	12 Å²	12	62 Å²	62	6%	0.056	31%	0.311	C	S	.	.	I	π-helix	trans	-61.3	-45.5	-179.9	-72.1	-56	106.6	0	0	112.2	Y247 K248 H255 R256 D257 V262 Y319	Y247-Q251 HydrophobicContact CD1-CG 4.18Å; Y247-Q251 HydrophobicContact CD2-CG 4.02Å; Y247-Q251 HydrophobicContact CE1-CG 3.74Å; Y247-Q251 HydrophobicContact CE2-CG 3.55Å; Y247-Q251 HydrophobicContact CG-CG 4.32Å; Y247-Q251 WeakPolarHBondContact O-CG 3.31Å; Y247-Q251 PolarHBondContact O-N 3.01Å; K248-Q251 PolarHBondContact O-N 3.41Å; Q251-H255 CarbonylContact O-C 3.58Å; Q251-H255 WeakPolarHBondContact O-CA 3.3Å; Q251-H255 VanDerWaalsContact O-CB 3.28Å; Q251-H255 WeakPolarHBondContact O-CB 3.42Å; Q251-H255 PolarHBondContact O-N 3.03Å; Q251-H255 PolarHBondContact OE1-CD2 2.82Å; Q251-R256 PolarHBondContact O-N 2.85Å; Q251-R256 VanDerWaalsContact O-N 3.09Å; Q251-D257 HydrophobicContact CB-CB 4.32Å; Q251-D257 PolarHBondContact NE2-OD2 3.33Å; Q251-D257 PolarHBondContact O-N 3.24Å; Q251-V262 HydrophobicContact CB-CG1 4.27Å; Q251-V262 HydrophobicContact CB-CG2 3.93Å; Q251-V262 HydrophobicContact CG-CG1 4.36Å; Q251-Y319 PolarHBondContact OE1-OH 3.36Å
252	T	97.6	Very high	96.6	Very high	44 Å²	44	60.7 Å²	60.7	27%	0.27	30%	0.296	S	S	.	.	I	π-helix	trans	-67.1	-38.5	180	52.8	0	0	0	0	112.1	K248 K249 Y250 R256 P259 V262	K248-T252 WeakPolarHBondContact O-CB 3.46Å; K248-T252 VanDerWaalsContact O-CG2 3.29Å; K248-T252 WeakPolarHBondContact O-CG2 3.43Å; K248-T252 PolarHBondContact O-N 3.37Å; K248-T252 PolarHBondContact O-OG1 3.27Å; K249-T252 PolarHBondContact O-OG1 3.02Å; K249-T252 VanDerWaalsContact O-OG1 3.1Å; Y250-T252 PolarHBondContact O-N 3.43Å; T252-R256 VanDerWaalsContact O-CA 3.27Å; T252-R256 WeakPolarHBondContact O-CA 3.33Å; T252-R256 PolarHBondContact O-N 3.2Å; T252-P259 HydrophobicContact CG2-CB 4.11Å; T252-P259 HydrophobicContact CG2-CG 3.87Å; T252-V262 HydrophobicContact CG2-CG2 4.5Å
253	F	96.3	Very high	96.5	Very high	108 Å²	108	58.7 Å²	58.7	47%	0.474	29%	0.287	S	S	.	.	I	π-helix	trans	-80.4	-49.9	-179.6	-171.5	-85.1	0	0	0	113.3	K249 Y250 P324	K249-F253 VanDerWaalsContact O-CB 3.26Å; K249-F253 WeakPolarHBondContact O-CB 2.76Å; K249-F253 PolarHBondContact O-N 2.79Å; Y250-F253 PolarHBondContact O-N 3.44Å; F253-P324 HydrophobicContact CB-CB 4.2Å; F253-P324 HydrophobicContact CB-CG 3.82Å; F253-P324 HydrophobicContact CD1-CB 3.41Å; F253-P324 VanDerWaalsContact CD1-CB 3.41Å; F253-P324 HydrophobicContact CD1-CG 3.94Å; F253-P324 HydrophobicContact CD2-CB 4.36Å; F253-P324 HydrophobicContact CE1-CB 3.79Å; F253-P324 HydrophobicContact CG-CB 3.73Å; F253-P324 HydrophobicContact CG-CG 3.94Å; F253-P324 HydrophobicContact CZ-CB 4.41Å
254	V	91.9	Very high	96.5	Very high	27 Å²	27	63 Å²	63	16%	0.164	31%	0.307	C	S	.	.	I	π-helix	trans	-86.5	-40.1	-170.6	178.9	0	0	0	0	111.9	Y250 P324	Y250-V254 HydrophobicContact CD1-CB 4.46Å; Y250-V254 HydrophobicContact CD2-CB 4.35Å; Y250-V254 HydrophobicContact CD2-CG2 3.7Å; Y250-V254 HydrophobicContact CE1-CB 4.21Å; Y250-V254 HydrophobicContact CE1-CG1 4.29Å; Y250-V254 HydrophobicContact CE2-CB 4.11Å; Y250-V254 HydrophobicContact CE2-CG1 4.27Å; Y250-V254 HydrophobicContact CE2-CG2 3.58Å; Y250-V254 HydrophobicContact CG-CG2 4.27Å; Y250-V254 VanDerWaalsContact O-CB 3.28Å; Y250-V254 WeakPolarHBondContact O-CB 3.19Å; Y250-V254 PolarHBondContact O-N 2.8Å; V254-P324 HydrophobicContact CG2-CG 4.39Å
255	H	89.9	Confident	96.5	Very high	77 Å²	77	66.1 Å²	66.1	36%	0.356	33%	0.332	S	S	.	.	I	π-helix	trans	-95.6	-11.8	-179.5	-67.9	-79.8	0	0	0	113.3	Y250 Q251 D257 Y319	Y250-H255 AromaticContact CE1-CD2 3.76Å; Y250-H255 AromaticContact CE1-NE2 3.59Å; Q251-H255 CarbonylContact O-C 3.58Å; Q251-H255 WeakPolarHBondContact O-CA 3.3Å; Q251-H255 VanDerWaalsContact O-CB 3.28Å; Q251-H255 WeakPolarHBondContact O-CB 3.42Å; Q251-H255 PolarHBondContact O-N 3.03Å; Q251-H255 PolarHBondContact OE1-CD2 2.82Å; H255-D257 PolarHBondContact O-N 2.94Å; H255-Y319 PolarHBondContact NE2-OH 3.49Å
256	R	92.3	Very high	96.4	Very high	136 Å²	136	67 Å²	67	51%	0.513	33%	0.331	S	S	.	.			trans	58	32	-175.3	-52.4	-174.6	-173.4	177.2	3	112.1	Q251 T252	Q251-R256 PolarHBondContact O-N 2.85Å; Q251-R256 VanDerWaalsContact O-N 3.09Å; T252-R256 VanDerWaalsContact O-CA 3.27Å; T252-R256 WeakPolarHBondContact O-CA 3.33Å; T252-R256 PolarHBondContact O-N 3.2Å
257	D	93.6	Very high	96.4	Very high	59 Å²	59	66.5 Å²	66.5	32%	0.316	33%	0.328	S	S	.	.			trans	-66.3	145.2	173.1	-69.4	-7.3	0	0	0	109.5	Q251 H255 V262	Q251-D257 HydrophobicContact CB-CB 4.32Å; Q251-D257 PolarHBondContact NE2-OD2 3.33Å; Q251-D257 PolarHBondContact O-N 3.24Å; H255-D257 PolarHBondContact O-N 2.94Å; D257-V262 HydrophobicContact CB-CG2 3.69Å
258	E	95.6	Very high	96.4	Very high	113 Å²	113	69.5 Å²	69.5	53%	0.528	34%	0.34	S	S	.	.			trans	-65.4	131.9	174.1	-64.9	-172.7	164.2	0	0	110	K260 S261 V262	E258-K260 HydrophobicContact CB-CG 4.22Å; E258-K260 PolarHBondContact O-N 2.83Å; E258-K260 WeakPolarHBondContact OE2-CE 3.39Å; E258-K260 IonicContact OE2-NZ 2.76Å; E258-S261 PolarHBondContact O-N 3.48Å; E258-S261 PolarHBondContact O-OG 3.23Å; E258-V262 PolarHBondContact O-N 2.83Å
259	P	94.9	Very high	96.3	Very high	79 Å²	79	69.2 Å²	69.2	51%	0.513	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.9	-177.4	-28.7	34.4	0	0	0	114.5	K248 T252	K248-P259 VanDerWaalsContact CE-O 3.3Å; K248-P259 WeakPolarHBondContact CE-O 3.5Å; T252-P259 HydrophobicContact CG2-CB 4.11Å; T252-P259 HydrophobicContact CG2-CG 3.87Å
260	K	96	Very high	96.2	Very high	165 Å²	165	69.4 Å²	69.4	72%	0.717	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.3	175.9	64.7	178.2	177.6	-179	0	113.5	E258	E258-K260 HydrophobicContact CB-CG 4.22Å; E258-K260 PolarHBondContact O-N 2.83Å; E258-K260 WeakPolarHBondContact OE2-CE 3.39Å; E258-K260 IonicContact OE2-NZ 2.76Å
261	S	96.3	Very high	96.2	Very high	45 Å²	45	68.8 Å²	68.8	32%	0.315	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.9	179.9	67.2	0	0	0	0	113.1	E258 T263 K266	E258-S261 PolarHBondContact O-N 3.48Å; E258-S261 PolarHBondContact O-OG 3.23Å; S261-T263 PolarHBondContact O-N 2.9Å; S261-K266 WeakPolarHBondContact O-CD 3.42Å; S261-K266 PolarHBondContact O-NZ 2.97Å
262	V	97.6	Very high	96.3	Very high	8 Å²	8	68.4 Å²	68.4	5%	0.048	34%	0.344	C	S	.	.			trans	-91.9	94	178.9	-170.9	0	0	0	0	110	F244 Y247 K248 Q251 T252 D257 E258	F244-V262 HydrophobicContact CE2-CG1 4.49Å; Y247-V262 HydrophobicContact CD1-CG1 3.93Å; Y247-V262 HydrophobicContact CE1-CG1 3.67Å; K248-V262 HydrophobicContact CB-CG1 4.11Å; K248-V262 HydrophobicContact CG-CB 4.23Å; K248-V262 HydrophobicContact CG-CG1 4.05Å; Q251-V262 HydrophobicContact CB-CG1 4.27Å; Q251-V262 HydrophobicContact CB-CG2 3.93Å; Q251-V262 HydrophobicContact CG-CG1 4.36Å; T252-V262 HydrophobicContact CG2-CG2 4.5Å; D257-V262 HydrophobicContact CB-CG2 3.69Å; E258-V262 PolarHBondContact O-N 2.83Å
263	T	98.4	Very high	96.2	Very high	54 Å²	54	68.8 Å²	68.8	33%	0.331	35%	0.346	S	S	.	.			trans	-109.8	155.7	-175.5	67.9	0	0	0	0	112.2	F244 S261 S265 K266 Y267	F244-T263 VanDerWaalsContact CE2-C 3.41Å; S261-T263 PolarHBondContact O-N 2.9Å; T263-S265 VanDerWaalsContact C-N 3.31Å; T263-S265 PolarHBondContact O-N 3.32Å; T263-K266 PolarHBondContact O-N 2.92Å; T263-K266 WeakPolarHBondContact OG1-CG 3.47Å; T263-K266 PolarHBondContact OG1-N 3Å; T263-Y267 PolarHBondContact O-N 3.36Å
264	E	98.3	Very high	96.3	Very high	90 Å²	90	64.2 Å²	64.2	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-59	-42.6	177.7	-168.3	-168.9	137.8	0	0	111.9	F240 F244 K266 Y267 R268	F240-E264 VanDerWaalsContact CE1-CD 3.46Å; F240-E264 HydrophobicContact CE1-CG 3.42Å; F240-E264 VanDerWaalsContact CE1-CG 3.42Å; F240-E264 WeakPolarHBondContact CE1-OE1 3.42Å; F240-E264 HydrophobicContact CZ-CG 3.76Å; F244-E264 HydrophobicContact CD1-CB 4.33Å; F244-E264 HydrophobicContact CD1-CG 4.41Å; F244-E264 HydrophobicContact CD2-CB 4.48Å; F244-E264 HydrophobicContact CE1-CB 4.13Å; F244-E264 HydrophobicContact CE2-CB 4.31Å; F244-E264 HydrophobicContact CG-CB 4.5Å; F244-E264 HydrophobicContact CG-CG 4.37Å; F244-E264 HydrophobicContact CZ-CB 4.13Å; F244-E264 VanDerWaalsContact CZ-N 3.3Å; E264-K266 VanDerWaalsContact C-N 3.33Å; E264-K266 PolarHBondContact O-N 3.38Å; E264-Y267 WeakPolarHBondContact O-CB 3.23Å; E264-Y267 PolarHBondContact O-N 2.74Å; E264-R268 WeakPolarHBondContact O-CB 3.39Å; E264-R268 PolarHBondContact O-N 2.57Å; E264-R268 IonicContact OE1-NH2 3.28Å; E264-R268 PolarHBondContact OE1-NH2 3.36Å
265	S	98.2	Very high	96.5	Very high	90 Å²	90	63.2 Å²	63.2	63%	0.629	32%	0.321	S	S	*	.	H	α-helix	trans	-59.6	-41.4	177.8	177.3	0	0	0	0	112.6	T263 S269	T263-S265 VanDerWaalsContact C-N 3.31Å; T263-S265 PolarHBondContact O-N 3.32Å; S265-S269 WeakPolarHBondContact O-CB 3.25Å; S265-S269 PolarHBondContact O-N 2.96Å; S265-S269 PolarHBondContact O-OG 3.49Å
266	K	97.8	Very high	96.7	Very high	117 Å²	117	59.7 Å²	59.7	51%	0.509	31%	0.305	S	S	.	.	H	α-helix	trans	-68.5	-41.6	175.1	-73	179.1	-176.1	176.3	0	111.7	S261 T263 E264 S269 F270	S261-K266 WeakPolarHBondContact O-CD 3.42Å; S261-K266 PolarHBondContact O-NZ 2.97Å; T263-K266 PolarHBondContact O-N 2.92Å; T263-K266 WeakPolarHBondContact OG1-CG 3.47Å; T263-K266 PolarHBondContact OG1-N 3Å; E264-K266 VanDerWaalsContact C-N 3.33Å; E264-K266 PolarHBondContact O-N 3.38Å; K266-S269 PolarHBondContact O-OG 3.45Å; K266-F270 WeakPolarHBondContact O-CB 3.4Å; K266-F270 PolarHBondContact O-N 3.15Å
267	Y	98.4	Very high	96.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-49.3	174.7	167.3	-109.5	0	0	0	111.4	F240 S243 F244 Y247 T263 E264 F270 L271 C272 H293 F321	F240-Y267 HydrophobicContact CD2-CE1 4.31Å; F240-Y267 HydrophobicContact CE1-CD1 4.42Å; F240-Y267 HydrophobicContact CE1-CE1 4.43Å; F240-Y267 HydrophobicContact CE2-CD1 4.11Å; F240-Y267 AromaticContact CE2-CE1 3.76Å; F240-Y267 HydrophobicContact CE2-CE1 3.76Å; F240-Y267 AromaticContact CZ-CD1 3.75Å; F240-Y267 HydrophobicContact CZ-CD1 3.75Å; F240-Y267 AromaticContact CZ-CE1 3.81Å; F240-Y267 HydrophobicContact CZ-CE1 3.81Å; S243-Y267 WeakPolarHBondContact CB-OH 3.44Å; S243-Y267 PolarHBondContact OG-OH 3.28Å; F244-Y267 HydrophobicContact CB-CD1 3.84Å; F244-Y267 HydrophobicContact CB-CE1 3.98Å; F244-Y267 AromaticContact CD2-CD1 3.81Å; F244-Y267 HydrophobicContact CD2-CD1 3.81Å; F244-Y267 AromaticContact CD2-CG 3.77Å; F244-Y267 HydrophobicContact CD2-CG 3.77Å; F244-Y267 HydrophobicContact CG-CD1 4.23Å; Y247-Y267 AromaticContact CD1-CD2 3.53Å; Y247-Y267 HydrophobicContact CD1-CD2 3.53Å; Y247-Y267 HydrophobicContact CD1-CE2 4.42Å; Y247-Y267 HydrophobicContact CD1-CG 4.02Å; Y247-Y267 HydrophobicContact CD2-CD2 4.02Å; Y247-Y267 HydrophobicContact CD2-CE2 4.36Å; Y247-Y267 HydrophobicContact CE1-CD2 4.01Å; Y247-Y267 HydrophobicContact CE1-CG 4.44Å; Y247-Y267 HydrophobicContact CE2-CD2 4.46Å; Y247-Y267 AromaticContact CG-CD2 3.52Å; Y247-Y267 HydrophobicContact CG-CD2 3.52Å; Y247-Y267 AromaticContact CG-CE2 4Å; Y247-Y267 HydrophobicContact CG-CE2 4Å; Y247-Y267 HydrophobicContact CG-CG 4.41Å; T263-Y267 PolarHBondContact O-N 3.36Å; E264-Y267 WeakPolarHBondContact O-CB 3.23Å; E264-Y267 PolarHBondContact O-N 2.74Å; Y267-F270 PolarHBondContact O-N 2.81Å; Y267-L271 HydrophobicContact CD2-CB 4.3Å; Y267-L271 HydrophobicContact CD2-CD1 3.87Å; Y267-L271 HydrophobicContact CD2-CG 4.43Å; Y267-L271 HydrophobicContact CE2-CB 4.08Å; Y267-L271 HydrophobicContact CE2-CD1 3.76Å; Y267-L271 HydrophobicContact CE2-CG 4.45Å; Y267-L271 PolarHBondContact O-N 3.42Å; Y267-C272 WeakPolarHBondContact CE1-SG 3.49Å; Y267-C272 VanDerWaalsContact CZ-SG 3.6Å; Y267-H293 PolarHBondContact OH-CE1 2.7Å; Y267-F321 HydrophobicContact CE2-CE1 4.32Å; Y267-F321 AromaticContact CE2-CZ 3.99Å; Y267-F321 HydrophobicContact CE2-CZ 3.99Å
268	R	98.3	Very high	96.4	Very high	84 Å²	84	57.3 Å²	57.3	32%	0.317	30%	0.302	S	S	.	.	I	π-helix	trans	-58.8	-51.8	178.8	-174.3	176.3	-68.6	-90.5	2.3	111.8	F240 E264 F270 C272 V273	F240-R268 HydrophobicContact CE2-CB 4.44Å; F240-R268 HydrophobicContact CE2-CG 4.47Å; F240-R268 HydrophobicContact CZ-CB 4.2Å; E264-R268 WeakPolarHBondContact O-CB 3.39Å; E264-R268 PolarHBondContact O-N 2.57Å; E264-R268 IonicContact OE1-NH2 3.28Å; E264-R268 PolarHBondContact OE1-NH2 3.36Å; R268-F270 VanDerWaalsContact C-N 3.34Å; R268-F270 PolarHBondContact O-N 2.8Å; R268-C272 HydrophobicContact CG-CB 4.31Å; R268-C272 WeakPolarHBondContact O-CB 3.19Å; R268-C272 PolarHBondContact O-N 3.49Å; R268-V273 HydrophobicContact CG-CG2 4.09Å; R268-V273 PolarHBondContact O-N 2.93Å
269	S	97.3	Very high	96.3	Very high	66 Å²	66	54.2 Å²	54.2	46%	0.462	29%	0.287	S	S	.	.	I	π-helix	trans	-67.7	-32.6	-178.6	57.1	0	0	0	0	112.9	G54 S265 K266	G54-S269 WeakPolarHBondContact CA-O 3.48Å; S265-S269 WeakPolarHBondContact O-CB 3.25Å; S265-S269 PolarHBondContact O-N 2.96Å; S265-S269 PolarHBondContact O-OG 3.49Å; K266-S269 PolarHBondContact O-OG 3.45Å
270	F	96.7	Very high	96	Very high	70 Å²	70	53.9 Å²	53.9	31%	0.307	30%	0.298	S	S	.	.	I	π-helix	trans	-80.1	-41.8	-179.8	-172.3	-120.2	0	0	0	113	S53 G54 K266 Y267 R268 K318 Y319	S53-F270 CarbonylContact C-O 3.46Å; S53-F270 WeakPolarHBondContact OG-CE2 3.5Å; G54-F270 PolarHBondContact N-O 3.23Å; G54-F270 VanDerWaalsContact N-O 3.07Å; K266-F270 WeakPolarHBondContact O-CB 3.4Å; K266-F270 PolarHBondContact O-N 3.15Å; Y267-F270 PolarHBondContact O-N 2.81Å; R268-F270 VanDerWaalsContact C-N 3.34Å; R268-F270 PolarHBondContact O-N 2.8Å; F270-K318 WeakPolarHBondContact O-CE 3.48Å; F270-K318 PolarHBondContact O-NZ 2.77Å; F270-Y319 HydrophobicContact CE1-CD2 4.21Å; F270-Y319 HydrophobicContact CE1-CE2 4.31Å; F270-Y319 HydrophobicContact CE1-CG 4.48Å
271	L	98	Very high	95.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	28%	0.275	C	S	.	.	I	π-helix	trans	-118.6	-26.8	-166.4	-63.7	-175.6	0	0	0	115.8	Y247 Y267 H293 V307 Y319 F321	Y247-L271 HydrophobicContact CD2-CD1 3.82Å; Y247-L271 HydrophobicContact CE2-CD1 3.73Å; Y267-L271 HydrophobicContact CD2-CB 4.3Å; Y267-L271 HydrophobicContact CD2-CD1 3.87Å; Y267-L271 HydrophobicContact CD2-CG 4.43Å; Y267-L271 HydrophobicContact CE2-CB 4.08Å; Y267-L271 HydrophobicContact CE2-CD1 3.76Å; Y267-L271 HydrophobicContact CE2-CG 4.45Å; Y267-L271 PolarHBondContact O-N 3.42Å; L271-H293 PolarHBondContact O-NE2 2.9Å; L271-H293 VanDerWaalsContact O-NE2 3.11Å; L271-V307 HydrophobicContact CB-CG2 4.21Å; L271-V307 HydrophobicContact CD1-CG2 4.27Å; L271-V307 HydrophobicContact CD2-CG2 4.24Å; L271-V307 HydrophobicContact CG-CG2 4.46Å; L271-V307 WeakPolarHBondContact O-CG1 3.39Å; L271-Y319 HydrophobicContact CD1-CD1 3.82Å; L271-Y319 HydrophobicContact CD1-CE1 4.41Å; L271-Y319 HydrophobicContact CD1-CG 4.48Å; L271-Y319 HydrophobicContact CD2-CD1 4.1Å; L271-Y319 HydrophobicContact CD2-CG 3.92Å; L271-F321 HydrophobicContact CD1-CD1 4.28Å; L271-F321 HydrophobicContact CD1-CE1 3.89Å
272	C	97.9	Very high	95.6	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.02	31%	0.305	C	S	.	.	I	π-helix	trans	-99.2	-45.1	-170.1	-53.4	0	0	0	0	112.4	S229 F236 F240 Y267 R268	S229-C272 PolarHBondContact OG-O 2.81Å; F236-C272 HydrophobicContact CE1-CB 4.41Å; F236-C272 HydrophobicContact CZ-CB 3.86Å; F240-C272 HydrophobicContact CE2-CB 4.43Å; Y267-C272 WeakPolarHBondContact CE1-SG 3.49Å; Y267-C272 VanDerWaalsContact CZ-SG 3.6Å; R268-C272 HydrophobicContact CG-CB 4.31Å; R268-C272 WeakPolarHBondContact O-CB 3.19Å; R268-C272 PolarHBondContact O-N 3.49Å
273	V	96.5	Very high	95.5	Very high	53 Å²	53	57.2 Å²	57.2	32%	0.321	32%	0.319	S	S	.	.			trans	-68	141	-179.1	179.5	0	0	0	0	110.9	G54 L55 R268	G54-V273 WeakPolarHBondContact CA-O 3.45Å; L55-V273 HydrophobicContact CD1-CG1 4.01Å; L55-V273 HydrophobicContact CD2-CG1 3.83Å; L55-V273 HydrophobicContact CG-CG1 3.81Å; R268-V273 HydrophobicContact CG-CG2 4.09Å; R268-V273 PolarHBondContact O-N 2.93Å
274	S	97.4	Very high	95.2	Very high	11 Å²	11	60.6 Å²	60.6	8%	0.077	34%	0.342	C	S	.	.			trans	-131.7	146.5	178.9	-165	0	0	0	0	112.2	S230 F276 S291	S230-S274 VanDerWaalsContact CB-CB 3.4Å; S274-F276 WeakPolarHBondContact OG-CD2 3.46Å; S274-F276 PolarHBondContact OG-N 3.27Å; S274-S291 WeakPolarHBondContact CB-OG 3.37Å; S274-S291 PolarHBondContact OG-OG 2.94Å
275	P	96.6	Very high	95	Very high	6 Å²	6	61.2 Å²	61.2	4%	0.039	35%	0.348	C	S	.	.	S	Bend	trans	-79	-8.8	171.1	34.9	-37.1	0	0	0	112.8	L34 L37 R52 L55	L34-P275 HydrophobicContact CB-CB 3.67Å; L34-P275 HydrophobicContact CB-CG 4.06Å; L34-P275 HydrophobicContact CD1-CB 4.29Å; L34-P275 HydrophobicContact CD1-CG 3.75Å; L37-P275 HydrophobicContact CB-CB 3.95Å; L37-P275 HydrophobicContact CB-CG 4.12Å; L37-P275 PolarHBondContact N-O 3.13Å; R52-P275 VanDerWaalsContact NH1-CD 3.31Å; L55-P275 HydrophobicContact CD2-CB 3.9Å; L55-P275 HydrophobicContact CD2-CG 4.49Å
276	F	94.8	Very high	94.9	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.018	32%	0.32	C	S	.	.			trans	-81.6	139.3	-179.1	-46.9	-41.5	0	0	0	110.8	L37 T39 Y42 S274 S291 D309 L311	L37-F276 HydrophobicContact CB-CD1 4.34Å; L37-F276 HydrophobicContact CB-CE1 4.21Å; L37-F276 HydrophobicContact CD2-CE1 4.11Å; L37-F276 HydrophobicContact CG-CE1 4.32Å; L37-F276 WeakPolarHBondContact O-CD1 3.49Å; T39-F276 HydrophobicContact CG2-CB 4.12Å; T39-F276 HydrophobicContact CG2-CD1 4.15Å; T39-F276 HydrophobicContact CG2-CD2 4.33Å; T39-F276 HydrophobicContact CG2-CG 3.93Å; Y42-F276 HydrophobicContact CD1-CE1 4.07Å; Y42-F276 HydrophobicContact CD1-CE2 4.23Å; Y42-F276 AromaticContact CD1-CZ 3.35Å; Y42-F276 HydrophobicContact CD1-CZ 3.35Å; Y42-F276 AromaticContact CE1-CZ 3.99Å; Y42-F276 HydrophobicContact CE1-CZ 3.99Å; Y42-F276 AromaticContact CG-CE1 3.93Å; Y42-F276 HydrophobicContact CG-CE1 3.93Å; Y42-F276 AromaticContact CG-CZ 3.66Å; Y42-F276 HydrophobicContact CG-CZ 3.66Å; S274-F276 WeakPolarHBondContact OG-CD2 3.46Å; S274-F276 PolarHBondContact OG-N 3.27Å; F276-S291 WeakPolarHBondContact CD2-OG 3.25Å; F276-D309 HydrophobicContact CE2-CB 4.25Å; F276-L311 HydrophobicContact CE2-CD2 4.38Å; F276-L311 HydrophobicContact CZ-CD2 4.43Å
277	L	87.2	Confident	94.9	Very high	76 Å²	76	54 Å²	54	40%	0.398	31%	0.31	S	S	.	.			trans	-80.6	142.2	151.6	-63.2	177.9	0	0	0	107.1	L2 E279	L2-L277 HydrophobicContact CD1-CB 4.25Å; L2-L277 HydrophobicContact CD1-CD1 3.7Å; L2-L277 HydrophobicContact CD2-CD1 3.75Å; L2-L277 HydrophobicContact CG-CD1 4.33Å; L277-E279 PolarHBondContact O-N 2.76Å; L277-E279 VanDerWaalsContact O-N 3.11Å
278	L	91.3	Very high	94.8	Very high	69 Å²	69	54 Å²	54	36%	0.361	31%	0.31	S	S	.	.			trans	-63.8	114.4	175.8	-179.5	66.7	0	0	0	108.8	F292	L278-F292 HydrophobicContact CD1-CE1 4.48Å; L278-F292 HydrophobicContact CD1-CZ 3.76Å
279	E	93.8	Very high	94.8	Very high	48 Å²	48	51.3 Å²	51.3	22%	0.224	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-94	108.5	179.6	-68.5	167.8	-155	0	0	108.2	T39 L277 G288 F289	T39-E279 HydrophobicContact CG2-CG 4.48Å; T39-E279 PolarHBondContact N-OE1 2.95Å; T39-E279 VanDerWaalsContact OG1-CD 3.29Å; T39-E279 PolarHBondContact OG1-OE1 2.87Å; T39-E279 PolarHBondContact OG1-OE2 3.34Å; L277-E279 PolarHBondContact O-N 2.76Å; L277-E279 VanDerWaalsContact O-N 3.11Å; E279-G288 CarbonylContact O-C 3.46Å; E279-G288 WeakPolarHBondContact O-CA 3Å; E279-F289 HydrophobicContact CB-CB 4.21Å; E279-F289 HydrophobicContact CB-CD2 4.36Å; E279-F289 PolarHBondContact N-O 3.49Å; E279-F289 PolarHBondContact O-N 3.41Å
280	G	89.7	Confident	94.9	Very high	71 Å²	71	48.1 Å²	48.1	73%	0.732	28%	0.279	S	S	*	.			trans	-64.7	150.8	-178.6	0	0	0	0	0	113.2
281	V	91.4	Very high	95	Very high	41 Å²	41	45 Å²	45	25%	0.248	27%	0.265	C	S	.	.			trans	-118.9	136.1	167.8	172.4	0	0	0	0	106.9	H283 H286 F289	V281-H283 HydrophobicContact CG1-CB 4.34Å; V281-H283 PolarHBondContact O-N 2.64Å; V281-H286 HydrophobicContact CB-CB 4.09Å; V281-H286 WeakPolarHBondContact CB-ND1 3.39Å; V281-H286 HydrophobicContact CG1-CB 4.02Å; V281-H286 WeakPolarHBondContact CG2-ND1 3.04Å; V281-F289 HydrophobicContact CG2-CD2 4.1Å; V281-F289 HydrophobicContact CG2-CE2 3.57Å; V281-F289 HydrophobicContact CG2-CZ 3.82Å
282	D	93	Very high	95	Very high	176 Å²	176	45.1 Å²	45.1	94%	0.941	27%	0.266	S	S	*	.	S	Bend	trans	-75.7	63.6	-178.3	-169.2	24	0	0	0	111.6
283	H	94.7	Very high	95	Very high	71 Å²	71	45 Å²	45	33%	0.329	27%	0.265	S	S	.	.	S	Bend	trans	-156.5	126.3	175.2	-168.8	-73.6	0	0	0	110	V281 D285 H286 I349	V281-H283 HydrophobicContact CG1-CB 4.34Å; V281-H283 PolarHBondContact O-N 2.64Å; H283-D285 VanDerWaalsContact C-N 3.29Å; H283-D285 IonicContact CE1-OD2 3.5Å; H283-D285 PolarHBondContact ND1-N 2.52Å; H283-D285 VanDerWaalsContact ND1-N 3.17Å; H283-D285 PolarHBondContact O-N 2.64Å; H283-H286 HydrophobicContact CB-CB 4.1Å; H283-H286 PolarHBondContact O-N 3.09Å; H283-I349 HydrophobicContact CB-CG2 3.52Å
284	P	92.2	Very high	95.1	Very high	126 Å²	126	43.3 Å²	43.3	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.2	-172	23.6	-34.4	0	0	0	113.8	H286	P284-H286 VanDerWaalsContact C-N 3.31Å; P284-H286 PolarHBondContact O-N 2.83Å
285	D	93.4	Very high	95.2	Very high	102 Å²	102	42.8 Å²	42.8	55%	0.545	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.9	177.7	-62.8	-54.4	0	0	0	114.9	H283 I349	H283-D285 VanDerWaalsContact C-N 3.29Å; H283-D285 IonicContact CE1-OD2 3.5Å; H283-D285 PolarHBondContact ND1-N 2.52Å; H283-D285 VanDerWaalsContact ND1-N 3.17Å; H283-D285 PolarHBondContact O-N 2.64Å; D285-I349 HydrophobicContact CB-CD1 3.89Å
286	H	97.1	Very high	95.3	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.056	25%	0.247	C	C	.	.			trans	-105.7	123.1	177.7	-165.6	-76	0	0	0	110.6	V281 H283 P284 G288 F289 I349	V281-H286 HydrophobicContact CB-CB 4.09Å; V281-H286 WeakPolarHBondContact CB-ND1 3.39Å; V281-H286 HydrophobicContact CG1-CB 4.02Å; V281-H286 WeakPolarHBondContact CG2-ND1 3.04Å; H283-H286 HydrophobicContact CB-CB 4.1Å; H283-H286 PolarHBondContact O-N 3.09Å; P284-H286 VanDerWaalsContact C-N 3.31Å; P284-H286 PolarHBondContact O-N 2.83Å; H286-G288 WeakPolarHBondContact ND1-CA 3.22Å; H286-G288 PolarHBondContact ND1-N 3.03Å; H286-G288 PolarHBondContact O-N 2.75Å; H286-F289 AromaticContact CE1-CE1 3.96Å; H286-I349 HydrophobicContact CB-CD1 4.23Å; H286-I349 HydrophobicContact CB-CG2 4.12Å
287	P	96.8	Very high	95.4	Very high	44 Å²	44	43 Å²	43	29%	0.286	25%	0.249	S	C	.	.			trans	-74.5	-7.9	-174.3	32.5	-37.9	0	0	0	114.1	L226 F292 I310 L346	L226-P287 HydrophobicContact CD2-CB 4.08Å; L226-P287 HydrophobicContact CD2-CG 3.84Å; P287-F292 HydrophobicContact CB-CE1 3.78Å; P287-F292 HydrophobicContact CB-CZ 3.91Å; P287-F292 HydrophobicContact CG-CZ 4.34Å; P287-I310 HydrophobicContact CG-CD1 3.64Å; P287-L346 HydrophobicContact CG-CD1 4.49Å; P287-L346 HydrophobicContact CG-CD2 4.38Å
288	G	97.7	Very high	95.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	24%	0.235	C	C	.	.			trans	92.3	175.5	-171.5	0	0	0	0	0	112.7	E279 H286 I310	E279-G288 CarbonylContact O-C 3.46Å; E279-G288 WeakPolarHBondContact O-CA 3Å; H286-G288 WeakPolarHBondContact ND1-CA 3.22Å; H286-G288 PolarHBondContact ND1-N 3.03Å; H286-G288 PolarHBondContact O-N 2.75Å; G288-I310 WeakPolarHBondContact O-CG2 3.15Å
289	F	98.2	Very high	96	Very high	26 Å²	26	40.7 Å²	40.7	11%	0.114	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-93.5	132.6	171.8	-50.4	-65.4	0	0	0	110.1	T39 E279 V281 H286 I310 L311 P312 T350 L353	T39-F289 HydrophobicContact CG2-CB 3.69Å; T39-F289 WeakPolarHBondContact OG1-CB 3.48Å; E279-F289 HydrophobicContact CB-CB 4.21Å; E279-F289 HydrophobicContact CB-CD2 4.36Å; E279-F289 PolarHBondContact N-O 3.49Å; E279-F289 PolarHBondContact O-N 3.41Å; V281-F289 HydrophobicContact CG2-CD2 4.1Å; V281-F289 HydrophobicContact CG2-CE2 3.57Å; V281-F289 HydrophobicContact CG2-CZ 3.82Å; H286-F289 AromaticContact CE1-CE1 3.96Å; F289-I310 CarbonylContact C-O 3.59Å; F289-I310 VanDerWaalsContact CA-O 3.23Å; F289-I310 WeakPolarHBondContact CA-O 3.44Å; F289-I310 WeakPolarHBondContact CB-O 3.41Å; F289-I310 HydrophobicContact CD1-CG2 4.05Å; F289-L311 VanDerWaalsContact CD1-C 3.46Å; F289-P312 HydrophobicContact CD1-CG 4.47Å; F289-P312 HydrophobicContact CD2-CG 4.41Å; F289-P312 HydrophobicContact CE2-CG 4.47Å; F289-P312 HydrophobicContact CG-CG 4.43Å; F289-P312 HydrophobicContact CZ-CB 4.48Å; F289-T350 HydrophobicContact CE1-CG2 4.4Å; F289-T350 HydrophobicContact CZ-CG2 4.05Å; F289-L353 HydrophobicContact CE1-CD1 4.37Å
290	G	98.1	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-159.4	-171.8	0	0	0	0	0	112.8	F292 D309 I310	G290-F292 VanDerWaalsContact C-CE2 3.48Å; G290-D309 CarbonylContact O-C 3.52Å; G290-D309 WeakPolarHBondContact O-CA 3.4Å; G290-I310 PolarHBondContact N-O 3.48Å; G290-I310 PolarHBondContact O-N 3.09Å
291	S	98.5	Very high	96.4	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.7	-179.1	-65	0	0	0	0	112.1	R52 S229 S274 F276 D309	R52-S291 PolarHBondContact NH2-OG 3.28Å; S229-S291 PolarHBondContact N-O 2.81Å; S229-S291 PolarHBondContact OG-O 2.83Å; S274-S291 WeakPolarHBondContact CB-OG 3.37Å; S274-S291 PolarHBondContact OG-OG 2.94Å; F276-S291 WeakPolarHBondContact CD2-OG 3.25Å; S291-D309 WeakPolarHBondContact CB-OD1 3.33Å; S291-D309 PolarHBondContact OG-OD1 3.19Å
292	F	98.7	Very high	96.8	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.1	-172.4	-58.4	-94.5	0	0	0	111.6	L226 L227 C228 L278 P287 G290 L308 I310	L226-F292 HydrophobicContact CD1-CB 3.61Å; L226-F292 HydrophobicContact CD1-CD1 4.41Å; L226-F292 HydrophobicContact CD1-CG 4.16Å; L226-F292 HydrophobicContact CD2-CD1 4.39Å; L226-F292 HydrophobicContact CG-CB 4.16Å; L226-F292 HydrophobicContact CG-CD1 4.04Å; L226-F292 HydrophobicContact CG-CG 4.28Å; L227-F292 CarbonylContact O-C 3.59Å; L227-F292 WeakPolarHBondContact O-CA 3.13Å; L227-F292 WeakPolarHBondContact O-CB 3.44Å; C228-F292 HydrophobicContact CB-CD1 4.12Å; C228-F292 HydrophobicContact CB-CE1 3.91Å; L278-F292 HydrophobicContact CD1-CE1 4.48Å; L278-F292 HydrophobicContact CD1-CZ 3.76Å; P287-F292 HydrophobicContact CB-CE1 3.78Å; P287-F292 HydrophobicContact CB-CZ 3.91Å; P287-F292 HydrophobicContact CG-CZ 4.34Å; G290-F292 VanDerWaalsContact C-CE2 3.48Å; F292-L308 HydrophobicContact CB-CD1 3.92Å; F292-L308 HydrophobicContact CD2-CD1 4.45Å; F292-L308 PolarHBondContact N-O 3.15Å; F292-L308 PolarHBondContact O-N 2.7Å; F292-L308 VanDerWaalsContact O-O 3.13Å; F292-I310 HydrophobicContact CD2-CB 4.13Å; F292-I310 HydrophobicContact CD2-CD1 3.64Å; F292-I310 HydrophobicContact CD2-CG1 3.8Å; F292-I310 HydrophobicContact CE2-CB 3.9Å; F292-I310 HydrophobicContact CE2-CD1 3.74Å; F292-I310 HydrophobicContact CE2-CG1 4Å; F292-I310 HydrophobicContact CG-CD1 4.2Å; F292-I310 HydrophobicContact CZ-CD1 4.36Å
293	H	98.8	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.7	165.3	-78	-145.4	0	0	0	108.1	L227 F236 Y267 L271 Q295 V305 S306	L227-H293 PolarHBondContact N-O 2.99Å; L227-H293 PolarHBondContact O-N 2.89Å; F236-H293 HydrophobicContact CD2-CB 4.31Å; F236-H293 HydrophobicContact CE2-CB 4.07Å; F236-H293 AromaticContact CE2-CD2 3.75Å; F236-H293 AromaticContact CE2-CE1 3.82Å; F236-H293 AromaticContact CE2-CG 3.59Å; F236-H293 AromaticContact CE2-ND1 3.65Å; F236-H293 AromaticContact CE2-NE2 3.9Å; Y267-H293 PolarHBondContact OH-CE1 2.7Å; L271-H293 PolarHBondContact O-NE2 2.9Å; L271-H293 VanDerWaalsContact O-NE2 3.11Å; H293-Q295 HydrophobicContact CB-CG 4.26Å; H293-Q295 PolarHBondContact O-N 3.01Å; H293-V305 HydrophobicContact CB-CG1 3.98Å; H293-S306 WeakPolarHBondContact CA-O 3.42Å
294	Y	98.7	Very high	97.2	Very high	18 Å²	18	35.2 Å²	35.2	7%	0.071	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	98.1	174.5	-163.1	-153	0	0	0	108.7	V224 K225 L226 F296 S306 L308 K338 E339 L342	V224-Y294 HydrophobicContact CB-CE2 3.87Å; V224-Y294 HydrophobicContact CG1-CD1 4.28Å; V224-Y294 HydrophobicContact CG1-CD2 3.49Å; V224-Y294 VanDerWaalsContact CG1-CD2 3.49Å; V224-Y294 HydrophobicContact CG1-CE1 3.99Å; V224-Y294 HydrophobicContact CG1-CE2 3.14Å; V224-Y294 HydrophobicContact CG1-CG 4.04Å; K225-Y294 CarbonylContact O-C 3.53Å; K225-Y294 WeakPolarHBondContact O-CA 3.21Å; K225-Y294 WeakPolarHBondContact O-CD2 3.3Å; L226-Y294 HydrophobicContact CB-CD2 4.01Å; L226-Y294 HydrophobicContact CB-CE2 4.36Å; L226-Y294 HydrophobicContact CD1-CD2 3.96Å; L226-Y294 HydrophobicContact CD1-CG 4.18Å; Y294-F296 HydrophobicContact CD1-CE2 4.21Å; Y294-F296 HydrophobicContact CD1-CZ 4.09Å; Y294-F296 HydrophobicContact CE1-CZ 4.22Å; Y294-F296 HydrophobicContact CG-CE2 4.47Å; Y294-F296 WeakPolarHBondContact O-CD2 3.18Å; Y294-F296 WeakPolarHBondContact O-CE2 3.48Å; Y294-S306 PolarHBondContact N-O 3.21Å; Y294-S306 PolarHBondContact O-N 3.02Å; Y294-L308 HydrophobicContact CD1-CD2 4.4Å; Y294-L308 HydrophobicContact CG-CD2 4.49Å; Y294-K338 HydrophobicContact CE1-CB 3.95Å; Y294-K338 VanDerWaalsContact OH-CE 3.31Å; Y294-K338 WeakPolarHBondContact OH-CE 3.47Å; Y294-E339 HydrophobicContact CD1-CG 4.42Å; Y294-L342 HydrophobicContact CE1-CD2 4.45Å
295	Q	98.7	Very high	97.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.3	-168.6	-68.8	-171.2	-9.7	0	0	111.1	V224 K225 L227 T239 H293 Y297 L302 V305	V224-Q295 CarbonylContact C-O 3.6Å; V224-Q295 VanDerWaalsContact CA-O 3.23Å; V224-Q295 WeakPolarHBondContact CA-O 3.43Å; V224-Q295 WeakPolarHBondContact CG1-O 3.43Å; K225-Q295 PolarHBondContact N-O 2.76Å; K225-Q295 PolarHBondContact O-N 3.12Å; L227-Q295 VanDerWaalsContact CD1-CD 3.49Å; L227-Q295 HydrophobicContact CD1-CG 4.37Å; L227-Q295 VanDerWaalsContact CD1-OE1 3.26Å; T239-Q295 PolarHBondContact OG1-NE2 2.89Å; T239-Q295 PolarHBondContact OG1-OE1 2.89Å; H293-Q295 HydrophobicContact CB-CG 4.26Å; H293-Q295 PolarHBondContact O-N 3.01Å; Q295-Y297 HydrophobicContact CB-CD2 4.37Å; Q295-Y297 HydrophobicContact CB-CE2 3.62Å; Q295-Y297 PolarHBondContact OE1-OH 3.01Å; Q295-L302 HydrophobicContact CB-CD1 3.63Å; Q295-L302 HydrophobicContact CG-CD1 3.99Å; Q295-V305 HydrophobicContact CG-CG2 4.22Å
296	F	98.3	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124	-179.1	-63.1	-105.5	0	0	0	109.6	V224 Y294 V303 A304 F320 Y334 K338	V224-F296 HydrophobicContact CB-CD1 4.47Å; V224-F296 HydrophobicContact CG1-CD1 3.84Å; V224-F296 HydrophobicContact CG1-CD2 4.16Å; V224-F296 HydrophobicContact CG1-CE1 3.86Å; V224-F296 HydrophobicContact CG1-CE2 4.16Å; V224-F296 HydrophobicContact CG1-CG 3.99Å; V224-F296 HydrophobicContact CG1-CZ 4.01Å; V224-F296 HydrophobicContact CG2-CD1 3.71Å; V224-F296 HydrophobicContact CG2-CE1 3.95Å; V224-F296 HydrophobicContact CG2-CG 4.44Å; Y294-F296 HydrophobicContact CD1-CE2 4.21Å; Y294-F296 HydrophobicContact CD1-CZ 4.09Å; Y294-F296 HydrophobicContact CE1-CZ 4.22Å; Y294-F296 HydrophobicContact CG-CE2 4.47Å; Y294-F296 WeakPolarHBondContact O-CD2 3.18Å; Y294-F296 WeakPolarHBondContact O-CE2 3.48Å; F296-V303 HydrophobicContact CB-CG2 4.43Å; F296-V303 WeakPolarHBondContact O-CG2 3.47Å; F296-V303 PolarHBondContact O-N 3Å; F296-A304 HydrophobicContact CB-CB 3.9Å; F296-A304 HydrophobicContact CD2-CB 3.92Å; F296-A304 HydrophobicContact CG-CB 4.08Å; F296-A304 PolarHBondContact N-O 2.82Å; F296-A304 PolarHBondContact O-N 3.06Å; F296-F320 HydrophobicContact CE2-CE2 4.42Å; F296-Y334 HydrophobicContact CD1-CE1 4.44Å; F296-Y334 HydrophobicContact CE1-CD1 4.23Å; F296-Y334 HydrophobicContact CE1-CE1 4.12Å; F296-K338 HydrophobicContact CE1-CB 4.21Å; F296-K338 HydrophobicContact CE1-CG 4.01Å; F296-K338 HydrophobicContact CZ-CB 4.13Å; F296-K338 HydrophobicContact CZ-CG 4.44Å
297	Y	97.4	Very high	97.9	Very high	14 Å²	14	23.9 Å²	23.9	6%	0.055	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.4	-179.4	-68.4	-97.7	0	0	0	110.3	L222 S223 K225 T239 Q295 R301 L302	L222-Y297 CarbonylContact C-O 3.52Å; L222-Y297 WeakPolarHBondContact CA-O 3.39Å; L222-Y297 WeakPolarHBondContact CD1-O 3.23Å; S223-Y297 PolarHBondContact N-O 2.95Å; S223-Y297 PolarHBondContact O-N 3.49Å; S223-Y297 WeakPolarHBondContact OG-CB 3.23Å; K225-Y297 HydrophobicContact CB-CE2 4.34Å; K225-Y297 HydrophobicContact CD-CD2 4.39Å; K225-Y297 HydrophobicContact CD-CE2 3.94Å; K225-Y297 HydrophobicContact CG-CD2 4.38Å; K225-Y297 HydrophobicContact CG-CE2 4.19Å; T239-Y297 WeakPolarHBondContact CG2-OH 3.33Å; Q295-Y297 HydrophobicContact CB-CD2 4.37Å; Q295-Y297 HydrophobicContact CB-CE2 3.62Å; Q295-Y297 PolarHBondContact OE1-OH 3.01Å; Y297-R301 CarbonylContact C-O 3.44Å; Y297-R301 VanDerWaalsContact CA-O 3.23Å; Y297-R301 WeakPolarHBondContact CA-O 3.18Å; Y297-L302 HydrophobicContact CD1-CB 4.26Å; Y297-L302 HydrophobicContact CD2-CD1 4.42Å; Y297-L302 HydrophobicContact CE1-CB 3.92Å; Y297-L302 HydrophobicContact CE1-CD1 4.23Å; Y297-L302 HydrophobicContact CE2-CD1 3.99Å
298	L	95.8	Very high	98	Very high	21 Å²	21	21.8 Å²	21.8	11%	0.11	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115	172	-176.9	72.1	0	0	0	107.8	F95 L96 H220 R221 E300 R301 V303 L326	F95-L298 HydrophobicContact CE1-CD1 4.01Å; F95-L298 HydrophobicContact CE1-CD2 3.72Å; F95-L298 HydrophobicContact CZ-CD2 3.98Å; L96-L298 HydrophobicContact CD2-CD1 3.52Å; H220-L298 HydrophobicContact CB-CD1 3.81Å; R221-L298 WeakPolarHBondContact O-CA 3.18Å; L298-E300 VanDerWaalsContact C-N 3.34Å; L298-E300 PolarHBondContact O-N 3.13Å; L298-R301 PolarHBondContact N-O 2.83Å; L298-R301 WeakPolarHBondContact O-CB 3.42Å; L298-R301 PolarHBondContact O-N 3.17Å; L298-V303 HydrophobicContact CB-CB 4.48Å; L298-V303 HydrophobicContact CB-CG1 3.87Å; L298-V303 HydrophobicContact CB-CG2 3.79Å; L298-L326 HydrophobicContact CD2-CD1 4.09Å; L298-L326 HydrophobicContact CD2-CD2 4.38Å
299	D	94.7	Very high	98	Very high	76 Å²	76	21.7 Å²	21.7	41%	0.406	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	52	-175.7	-51.5	-37.9	0	0	0	111.9	H220 R221 R301	H220-D299 WeakPolarHBondContact CA-OD1 3.11Å; H220-D299 IonicContact CE1-OD2 3.74Å; H220-D299 IonicContact CG-OD2 3.56Å; H220-D299 IonicContact ND1-OD2 3.94Å; H220-D299 PolarHBondContact ND1-OD2 3.33Å; R221-D299 PolarHBondContact N-OD1 2.95Å; R221-D299 PolarHBondContact O-N 3.25Å; D299-R301 PolarHBondContact O-N 3.39Å
300	E	94.6	Very high	98	Very high	132 Å²	132	20.5 Å²	20.5	62%	0.617	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	1.3	-176.9	-53.5	-53.9	111.6	0	0	116	L298	L298-E300 VanDerWaalsContact C-N 3.34Å; L298-E300 PolarHBondContact O-N 3.13Å
301	R	97.7	Very high	98.1	Very high	144 Å²	144	20.5 Å²	20.5	54%	0.543	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.3	174.5	-177.3	176.1	171.7	-150	-14.9	111.3	Y297 L298 D299 V303 D323	Y297-R301 CarbonylContact C-O 3.44Å; Y297-R301 VanDerWaalsContact CA-O 3.23Å; Y297-R301 WeakPolarHBondContact CA-O 3.18Å; L298-R301 PolarHBondContact N-O 2.83Å; L298-R301 WeakPolarHBondContact O-CB 3.42Å; L298-R301 PolarHBondContact O-N 3.17Å; D299-R301 PolarHBondContact O-N 3.39Å; R301-V303 HydrophobicContact CG-CG1 4.36Å; R301-V303 PolarHBondContact O-N 2.96Å; R301-D323 IonicContact CZ-OD2 3.81Å; R301-D323 IonicContact NH1-OD2 3.86Å; R301-D323 IonicContact NH2-OD2 2.7Å; R301-D323 PolarHBondContact NH2-OD2 3.33Å
302	L	98.7	Very high	98	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.063	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	119.3	172.3	-176.5	65.7	0	0	0	110.6	D242 L246 Q295 Y297 V305	D242-L302 HydrophobicContact CB-CB 4.49Å; D242-L302 HydrophobicContact CB-CD2 4.09Å; L246-L302 HydrophobicContact CD2-CG 4.14Å; Q295-L302 HydrophobicContact CB-CD1 3.63Å; Q295-L302 HydrophobicContact CG-CD1 3.99Å; Y297-L302 HydrophobicContact CD1-CB 4.26Å; Y297-L302 HydrophobicContact CD2-CD1 4.42Å; Y297-L302 HydrophobicContact CE1-CB 3.92Å; Y297-L302 HydrophobicContact CE1-CD1 4.23Å; Y297-L302 HydrophobicContact CE2-CD1 3.99Å; L302-V305 HydrophobicContact CD1-CG2 4.04Å; L302-V305 HydrophobicContact CD2-CG2 4.07Å; L302-V305 HydrophobicContact CG-CG2 4.3Å
303	V	98.6	Very high	98	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	-15.9	-175.3	-65.1	0	0	0	0	114.7	F296 L298 R301 Y322 D323 L326 F331	F296-V303 HydrophobicContact CB-CG2 4.43Å; F296-V303 WeakPolarHBondContact O-CG2 3.47Å; F296-V303 PolarHBondContact O-N 3Å; L298-V303 HydrophobicContact CB-CB 4.48Å; L298-V303 HydrophobicContact CB-CG1 3.87Å; L298-V303 HydrophobicContact CB-CG2 3.79Å; R301-V303 HydrophobicContact CG-CG1 4.36Å; R301-V303 PolarHBondContact O-N 2.96Å; V303-Y322 CarbonylContact O-C 3.5Å; V303-Y322 VanDerWaalsContact O-CA 3.24Å; V303-Y322 WeakPolarHBondContact O-CA 3.12Å; V303-Y322 WeakPolarHBondContact O-CB 3.39Å; V303-D323 HydrophobicContact CB-CB 4.44Å; V303-D323 PolarHBondContact O-N 2.71Å; V303-L326 HydrophobicContact CB-CD1 3.69Å; V303-L326 HydrophobicContact CG1-CD1 3.82Å; V303-L326 HydrophobicContact CG2-CD1 4.05Å; V303-F331 HydrophobicContact CG2-CZ 4.07Å
304	A	98.8	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.2	170.7	0	0	0	0	0	111.7	F296 F320 F321 F331	F296-A304 HydrophobicContact CB-CB 3.9Å; F296-A304 HydrophobicContact CD2-CB 3.92Å; F296-A304 HydrophobicContact CG-CB 4.08Å; F296-A304 PolarHBondContact N-O 2.82Å; F296-A304 PolarHBondContact O-N 3.06Å; A304-F320 HydrophobicContact CB-CE2 3.94Å; A304-F320 HydrophobicContact CB-CZ 3.85Å; A304-F321 WeakPolarHBondContact CA-O 3.4Å; A304-F331 HydrophobicContact CB-CD1 3.85Å; A304-F331 HydrophobicContact CB-CE1 3.92Å
305	V	98.9	Very high	98	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	124.7	175.4	-179.1	0	0	0	0	108.9	L246 H293 Q295 L302 V307 F320 F321	L246-V305 HydrophobicContact CD2-CG2 4.23Å; H293-V305 HydrophobicContact CB-CG1 3.98Å; Q295-V305 HydrophobicContact CG-CG2 4.22Å; L302-V305 HydrophobicContact CD1-CG2 4.04Å; L302-V305 HydrophobicContact CD2-CG2 4.07Å; L302-V305 HydrophobicContact CG-CG2 4.3Å; V305-V307 HydrophobicContact CG1-CG2 4.28Å; V305-F320 WeakPolarHBondContact O-CA 3.43Å; V305-F320 VanDerWaalsContact O-CD2 3.26Å; V305-F320 WeakPolarHBondContact O-CD2 3.32Å; V305-F321 HydrophobicContact CB-CD1 4.26Å; V305-F321 HydrophobicContact CB-CD2 4.32Å; V305-F321 HydrophobicContact CB-CE1 3.68Å; V305-F321 HydrophobicContact CB-CE2 3.73Å; V305-F321 HydrophobicContact CB-CZ 3.4Å; V305-F321 VanDerWaalsContact CB-CZ 3.4Å; V305-F321 HydrophobicContact CG1-CE1 3.83Å; V305-F321 HydrophobicContact CG1-CZ 3.75Å; V305-F321 HydrophobicContact CG2-CE1 4.49Å; V305-F321 HydrophobicContact CG2-CE2 3.76Å; V305-F321 HydrophobicContact CG2-CZ 3.73Å; V305-F321 PolarHBondContact N-O 3.46Å; V305-F321 PolarHBondContact O-N 3.38Å; V305-F321 VanDerWaalsContact O-N 3.1Å
306	S	98.7	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.6	162.9	-169.5	0	0	0	0	109.9	H293 Y294 E339	H293-S306 WeakPolarHBondContact CA-O 3.42Å; Y294-S306 PolarHBondContact N-O 3.21Å; Y294-S306 PolarHBondContact O-N 3.02Å; S306-E339 WeakPolarHBondContact CB-OE1 3.26Å; S306-E339 VanDerWaalsContact OG-CD 3.25Å; S306-E339 PolarHBondContact OG-OE1 3.28Å
307	V	98.8	Very high	98	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.1	173	-173.8	0	0	0	0	107	L271 V305 K318 Y319 F321	L271-V307 HydrophobicContact CB-CG2 4.21Å; L271-V307 HydrophobicContact CD1-CG2 4.27Å; L271-V307 HydrophobicContact CD2-CG2 4.24Å; L271-V307 HydrophobicContact CG-CG2 4.46Å; L271-V307 WeakPolarHBondContact O-CG1 3.39Å; V305-V307 HydrophobicContact CG1-CG2 4.28Å; V307-K318 HydrophobicContact CG1-CB 4.41Å; V307-K318 HydrophobicContact CG1-CD 3.95Å; V307-K318 WeakPolarHBondContact O-CA 3.31Å; V307-K318 VanDerWaalsContact O-CB 3.29Å; V307-K318 WeakPolarHBondContact O-CB 3.41Å; V307-K318 PolarHBondContact O-N 2.98Å; V307-Y319 PolarHBondContact N-O 2.87Å; V307-Y319 PolarHBondContact O-N 3.21Å; V307-F321 HydrophobicContact CG2-CE1 4.07Å
308	L	98.7	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.3	-173.9	61.6	81.2	0	0	0	112.5	L226 F292 Y294 I310 I315 S316 E339 L342	L226-L308 HydrophobicContact CD1-CD1 4.29Å; F292-L308 HydrophobicContact CB-CD1 3.92Å; F292-L308 HydrophobicContact CD2-CD1 4.45Å; F292-L308 PolarHBondContact N-O 3.15Å; F292-L308 PolarHBondContact O-N 2.7Å; F292-L308 VanDerWaalsContact O-O 3.13Å; Y294-L308 HydrophobicContact CD1-CD2 4.4Å; Y294-L308 HydrophobicContact CG-CD2 4.49Å; L308-I310 HydrophobicContact CD1-CD1 4.22Å; L308-I310 HydrophobicContact CD1-CG1 3.73Å; L308-I315 HydrophobicContact CB-CG2 4.19Å; L308-I315 HydrophobicContact CD1-CG2 4.14Å; L308-I315 HydrophobicContact CD2-CG2 4.15Å; L308-I315 HydrophobicContact CG-CG2 4.41Å; L308-S316 CarbonylContact C-O 3.1Å; L308-S316 VanDerWaalsContact CA-O 3.3Å; L308-S316 WeakPolarHBondContact CA-O 3.45Å; L308-E339 HydrophobicContact CD2-CG 3.98Å; L308-L342 HydrophobicContact CD2-CD2 4.36Å
309	D	98.7	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.5	170.9	-67.4	-34.6	0	0	0	109.7	R52 F276 G290 S291 L311 I315 S316	R52-D309 IonicContact CZ-OD1 2.61Å; R52-D309 IonicContact CZ-OD2 2.92Å; R52-D309 VanDerWaalsContact CZ-OD2 3.28Å; R52-D309 IonicContact NE-OD1 2.84Å; R52-D309 IonicContact NE-OD2 3.65Å; R52-D309 PolarHBondContact NE-OD2 2.93Å; R52-D309 IonicContact NH2-OD1 3.91Å; R52-D309 PolarHBondContact NH2-OD1 3.15Å; R52-D309 IonicContact NH2-OD2 2.83Å; R52-D309 PolarHBondContact NH2-OD2 3.04Å; F276-D309 HydrophobicContact CE2-CB 4.25Å; G290-D309 CarbonylContact O-C 3.52Å; G290-D309 WeakPolarHBondContact O-CA 3.4Å; S291-D309 WeakPolarHBondContact CB-OD1 3.33Å; S291-D309 PolarHBondContact OG-OD1 3.19Å; D309-L311 HydrophobicContact CB-CD2 4.15Å; D309-L311 HydrophobicContact CB-CG 4.21Å; D309-I315 CarbonylContact O-C 3.53Å; D309-I315 WeakPolarHBondContact O-CA 3.01Å; D309-S316 PolarHBondContact N-O 3.13Å; D309-S316 PolarHBondContact O-N 3.27Å
310	I	98.8	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.1	170.5	-63.7	175.9	0	0	0	106.6	L226 P287 G288 F289 G290 F292 L308 I315 L346 L353	L226-I310 HydrophobicContact CD2-CD1 3.89Å; P287-I310 HydrophobicContact CG-CD1 3.64Å; G288-I310 WeakPolarHBondContact O-CG2 3.15Å; F289-I310 CarbonylContact C-O 3.59Å; F289-I310 VanDerWaalsContact CA-O 3.23Å; F289-I310 WeakPolarHBondContact CA-O 3.44Å; F289-I310 WeakPolarHBondContact CB-O 3.41Å; F289-I310 HydrophobicContact CD1-CG2 4.05Å; G290-I310 PolarHBondContact N-O 3.48Å; G290-I310 PolarHBondContact O-N 3.09Å; F292-I310 HydrophobicContact CD2-CB 4.13Å; F292-I310 HydrophobicContact CD2-CD1 3.64Å; F292-I310 HydrophobicContact CD2-CG1 3.8Å; F292-I310 HydrophobicContact CE2-CB 3.9Å; F292-I310 HydrophobicContact CE2-CD1 3.74Å; F292-I310 HydrophobicContact CE2-CG1 4Å; F292-I310 HydrophobicContact CG-CD1 4.2Å; F292-I310 HydrophobicContact CZ-CD1 4.36Å; L308-I310 HydrophobicContact CD1-CD1 4.22Å; L308-I310 HydrophobicContact CD1-CG1 3.73Å; I310-I315 HydrophobicContact CG1-CG1 4.4Å; I310-L346 HydrophobicContact CD1-CD1 3.86Å; I310-L346 HydrophobicContact CG1-CD1 4.39Å; I310-L346 HydrophobicContact CG2-CD1 4.01Å; I310-L353 HydrophobicContact CG2-CD1 3.83Å
311	L	98.5	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.			trans	-121.7	163.8	-174.8	-55.4	-180	0	0	0	110.4	T39 Y42 I46 F276 F289 D309 A313 C314	T39-L311 HydrophobicContact CG2-CD2 4.35Å; Y42-L311 HydrophobicContact CD1-CD1 3.54Å; Y42-L311 HydrophobicContact CD1-CD2 3.88Å; Y42-L311 HydrophobicContact CD1-CG 4.35Å; Y42-L311 HydrophobicContact CE1-CD1 3.95Å; I46-L311 HydrophobicContact CG2-CD1 4.23Å; F276-L311 HydrophobicContact CE2-CD2 4.38Å; F276-L311 HydrophobicContact CZ-CD2 4.43Å; F289-L311 VanDerWaalsContact CD1-C 3.46Å; D309-L311 HydrophobicContact CB-CD2 4.15Å; D309-L311 HydrophobicContact CB-CG 4.21Å; L311-A313 PolarHBondContact O-N 3Å; L311-C314 WeakPolarHBondContact CA-O 3.46Å; L311-C314 WeakPolarHBondContact CB-O 3.19Å; L311-C314 PolarHBondContact N-O 3.4Å; L311-C314 PolarHBondContact O-N 3.18Å; L311-C314 VanDerWaalsContact O-O 3.11Å
312	P	97.7	Very high	98.5	Very high	31 Å²	31	10.1 Å²	10.1	20%	0.201	5%	0.053	C	C	.	.	S	Bend	trans	-55.7	-28.4	-174.7	-30.6	37.3	0	0	0	116	F289 S352 L353	F289-P312 HydrophobicContact CD1-CG 4.47Å; F289-P312 HydrophobicContact CD2-CG 4.41Å; F289-P312 HydrophobicContact CE2-CG 4.47Å; F289-P312 HydrophobicContact CG-CG 4.43Å; F289-P312 HydrophobicContact CZ-CB 4.48Å; P312-S352 CarbonylContact O-C 3.48Å; P312-S352 WeakPolarHBondContact O-CB 2.98Å; P312-S352 PolarHBondContact O-OG 3.18Å; P312-L353 PolarHBondContact O-N 3.48Å
313	A	98.4	Very high	98.5	Very high	23 Å²	23	9.7 Å²	9.7	19%	0.19	5%	0.051	C	C	.	.	S	Bend	trans	-115.1	-9.8	179.3	0	0	0	0	0	114.4	Q43 L311 S352 R354 Y355	Q43-A313 HydrophobicContact CG-CB 4.2Å; L311-A313 PolarHBondContact O-N 3Å; A313-S352 WeakPolarHBondContact CA-O 3.39Å; A313-R354 PolarHBondContact O-N 3.24Å; A313-R354 VanDerWaalsContact O-N 3.09Å; A313-Y355 PolarHBondContact O-N 2.82Å
314	C	98.8	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	160.6	-173.5	70.2	0	0	0	0	115.6	Q43 L311 Y355 Y357	Q43-C314 PolarHBondContact OE1-SG 3.21Å; L311-C314 WeakPolarHBondContact CA-O 3.46Å; L311-C314 WeakPolarHBondContact CB-O 3.19Å; L311-C314 PolarHBondContact N-O 3.4Å; L311-C314 PolarHBondContact O-N 3.18Å; L311-C314 VanDerWaalsContact O-O 3.11Å; C314-Y355 CarbonylContact C-O 3.55Å; C314-Y355 WeakPolarHBondContact CA-O 3.36Å; C314-Y355 WeakPolarHBondContact CB-O 3.35Å; C314-Y357 HydrophobicContact CB-CD2 3.36Å; C314-Y357 HydrophobicContact CB-CE2 3.46Å; C314-Y357 VanDerWaalsContact CB-CE2 3.46Å; C314-Y357 HydrophobicContact CB-CG 4.36Å
315	I	98.9	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.7	154	-59.9	-169	0	0	0	108.2	L308 D309 I310 L342 T343 L346 L353 Y355 Y356 Y357	L308-I315 HydrophobicContact CB-CG2 4.19Å; L308-I315 HydrophobicContact CD1-CG2 4.14Å; L308-I315 HydrophobicContact CD2-CG2 4.15Å; L308-I315 HydrophobicContact CG-CG2 4.41Å; D309-I315 CarbonylContact O-C 3.53Å; D309-I315 WeakPolarHBondContact O-CA 3.01Å; I310-I315 HydrophobicContact CG1-CG1 4.4Å; I315-L342 HydrophobicContact CD1-CB 3.97Å; I315-L342 HydrophobicContact CD1-CD2 3.72Å; I315-L342 HydrophobicContact CD1-CG 3.54Å; I315-T343 WeakPolarHBondContact CD1-OG1 3.43Å; I315-L346 HydrophobicContact CD1-CD1 4.14Å; I315-L353 HydrophobicContact CG1-CD2 4.05Å; I315-Y355 PolarHBondContact N-O 3.04Å; I315-Y356 HydrophobicContact CB-CD2 4.35Å; I315-Y356 HydrophobicContact CG2-CD2 4.39Å; I315-Y356 CarbonylContact O-C 3.59Å; I315-Y357 PolarHBondContact O-N 3.07Å
316	S	98.6	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.5	176.1	156.4	0	0	0	0	110.8	R51 L308 D309 K318	R51-S316 PolarHBondContact NH1-OG 3Å; L308-S316 CarbonylContact C-O 3.1Å; L308-S316 VanDerWaalsContact CA-O 3.3Å; L308-S316 WeakPolarHBondContact CA-O 3.45Å; D309-S316 PolarHBondContact N-O 3.13Å; D309-S316 PolarHBondContact O-N 3.27Å; S316-K318 PolarHBondContact O-N 3.28Å
317	S	98.3	Very high	97.8	Very high	17 Å²	17	19.7 Å²	19.7	12%	0.119	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	119.3	172.2	-161.6	0	0	0	0	110.2	R51 E339 Y356 Y357	R51-S317 PolarHBondContact NH2-O 3.47Å; S317-E339 WeakPolarHBondContact CB-OE2 3.45Å; S317-E339 PolarHBondContact OG-OE2 3.09Å; S317-Y356 WeakPolarHBondContact CB-OH 3.49Å; S317-Y357 PolarHBondContact N-O 2.96Å
318	K	97	Very high	97.5	Very high	28 Å²	28	20.7 Å²	20.7	12%	0.122	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-51.9	-175.5	177.8	-174.9	168.3	-160.8	0	111.9	R52 F270 V307 S316	R52-K318 WeakPolarHBondContact O-CE 3.17Å; R52-K318 WeakPolarHBondContact O-CG 3.49Å; F270-K318 WeakPolarHBondContact O-CE 3.48Å; F270-K318 PolarHBondContact O-NZ 2.77Å; V307-K318 HydrophobicContact CG1-CB 4.41Å; V307-K318 HydrophobicContact CG1-CD 3.95Å; V307-K318 WeakPolarHBondContact O-CA 3.31Å; V307-K318 VanDerWaalsContact O-CB 3.29Å; V307-K318 WeakPolarHBondContact O-CB 3.41Å; V307-K318 PolarHBondContact O-N 2.98Å; S316-K318 PolarHBondContact O-N 3.28Å
319	Y	97.7	Very high	97.2	Very high	50 Å²	50	20.7 Å²	20.7	20%	0.196	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	150.1	-179.2	-158.8	-105.2	0	0	0	110.3	Y247 Q251 H255 F270 L271 V307 F321	Y247-Y319 HydrophobicContact CD2-CE1 4.37Å; Y247-Y319 AromaticContact CE2-CE1 3.96Å; Y247-Y319 HydrophobicContact CE2-CE1 3.96Å; Q251-Y319 PolarHBondContact OE1-OH 3.36Å; H255-Y319 PolarHBondContact NE2-OH 3.49Å; F270-Y319 HydrophobicContact CE1-CD2 4.21Å; F270-Y319 HydrophobicContact CE1-CE2 4.31Å; F270-Y319 HydrophobicContact CE1-CG 4.48Å; L271-Y319 HydrophobicContact CD1-CD1 3.82Å; L271-Y319 HydrophobicContact CD1-CE1 4.41Å; L271-Y319 HydrophobicContact CD1-CG 4.48Å; L271-Y319 HydrophobicContact CD2-CD1 4.1Å; L271-Y319 HydrophobicContact CD2-CG 3.92Å; V307-Y319 PolarHBondContact N-O 2.87Å; V307-Y319 PolarHBondContact O-N 3.21Å; Y319-F321 AromaticContact CD1-CD1 3.93Å; Y319-F321 HydrophobicContact CD1-CD1 3.93Å; Y319-F321 HydrophobicContact CE1-CB 4.32Å; Y319-F321 HydrophobicContact CE1-CD1 4.28Å
320	F	98	Very high	97	Very high	31 Å²	31	20.8 Å²	20.8	14%	0.136	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	130.1	178.5	179.3	-104.2	0	0	0	109.9	F296 A304 V305 Y322 F331 S335	F296-F320 HydrophobicContact CE2-CE2 4.42Å; A304-F320 HydrophobicContact CB-CE2 3.94Å; A304-F320 HydrophobicContact CB-CZ 3.85Å; V305-F320 WeakPolarHBondContact O-CA 3.43Å; V305-F320 VanDerWaalsContact O-CD2 3.26Å; V305-F320 WeakPolarHBondContact O-CD2 3.32Å; F320-Y322 HydrophobicContact CD1-CD1 4.04Å; F320-Y322 AromaticContact CE1-CD1 3.42Å; F320-Y322 HydrophobicContact CE1-CD1 3.42Å; F320-Y322 VanDerWaalsContact CE1-CD1 3.42Å; F320-Y322 HydrophobicContact CE1-CE1 4.2Å; F320-Y322 HydrophobicContact CE1-CG 4.06Å; F320-Y322 HydrophobicContact CZ-CD1 4.2Å; F320-Y322 HydrophobicContact CZ-CG 4.41Å; F320-F331 HydrophobicContact CE1-CB 3.91Å; F320-F331 HydrophobicContact CZ-CB 3.89Å; F320-F331 HydrophobicContact CZ-CD1 4.16Å; F320-F331 HydrophobicContact CZ-CG 4.46Å; F320-S335 WeakPolarHBondContact CE2-OG 3.35Å; F320-S335 WeakPolarHBondContact CZ-OG 3.5Å
321	F	98.6	Very high	96.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.9	176.2	59.8	-83.9	0	0	0	109.8	S243 L246 Y247 Y250 Y267 L271 A304 V305 V307 Y319	S243-F321 WeakPolarHBondContact O-CE2 3.49Å; L246-F321 HydrophobicContact CB-CD2 4.44Å; L246-F321 HydrophobicContact CB-CE2 4.22Å; L246-F321 HydrophobicContact CD2-CD2 4.2Å; L246-F321 HydrophobicContact CD2-CE2 4.17Å; L246-F321 HydrophobicContact CG-CD2 3.99Å; L246-F321 HydrophobicContact CG-CE2 4.16Å; Y247-F321 HydrophobicContact CD2-CD1 4.17Å; Y247-F321 HydrophobicContact CD2-CD2 4.5Å; Y247-F321 HydrophobicContact CD2-CE1 4.36Å; Y247-F321 HydrophobicContact CD2-CG 4.22Å; Y250-F321 HydrophobicContact CD1-CB 3.66Å; Y250-F321 HydrophobicContact CD2-CB 4.16Å; Y250-F321 HydrophobicContact CE1-CB 4.15Å; Y250-F321 HydrophobicContact CG-CB 3.65Å; Y267-F321 HydrophobicContact CE2-CE1 4.32Å; Y267-F321 AromaticContact CE2-CZ 3.99Å; Y267-F321 HydrophobicContact CE2-CZ 3.99Å; L271-F321 HydrophobicContact CD1-CD1 4.28Å; L271-F321 HydrophobicContact CD1-CE1 3.89Å; A304-F321 WeakPolarHBondContact CA-O 3.4Å; V305-F321 HydrophobicContact CB-CD1 4.26Å; V305-F321 HydrophobicContact CB-CD2 4.32Å; V305-F321 HydrophobicContact CB-CE1 3.68Å; V305-F321 HydrophobicContact CB-CE2 3.73Å; V305-F321 HydrophobicContact CB-CZ 3.4Å; V305-F321 VanDerWaalsContact CB-CZ 3.4Å; V305-F321 HydrophobicContact CG1-CE1 3.83Å; V305-F321 HydrophobicContact CG1-CZ 3.75Å; V305-F321 HydrophobicContact CG2-CE1 4.49Å; V305-F321 HydrophobicContact CG2-CE2 3.76Å; V305-F321 HydrophobicContact CG2-CZ 3.73Å; V305-F321 PolarHBondContact N-O 3.46Å; V305-F321 PolarHBondContact O-N 3.38Å; V305-F321 VanDerWaalsContact O-N 3.1Å; V307-F321 HydrophobicContact CG2-CE1 4.07Å; Y319-F321 AromaticContact CD1-CD1 3.93Å; Y319-F321 HydrophobicContact CD1-CD1 3.93Å; Y319-F321 HydrophobicContact CE1-CB 4.32Å; Y319-F321 HydrophobicContact CE1-CD1 4.28Å
322	Y	98.6	Very high	96.5	Very high	16 Å²	16	21.8 Å²	21.8	6%	0.063	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	169.1	-173.5	68.3	-84.4	0	0	0	111.3	Y250 V303 F320 P324 R327 F331	Y250-Y322 HydrophobicContact CD2-CD1 4.22Å; Y250-Y322 HydrophobicContact CD2-CE1 4.42Å; Y250-Y322 VanDerWaalsContact CD2-O 3.25Å; Y250-Y322 WeakPolarHBondContact CD2-O 3.5Å; Y250-Y322 AromaticContact CE2-CD1 3.71Å; Y250-Y322 HydrophobicContact CE2-CD1 3.71Å; Y250-Y322 AromaticContact CE2-CE1 3.61Å; Y250-Y322 HydrophobicContact CE2-CE1 3.61Å; V303-Y322 CarbonylContact O-C 3.5Å; V303-Y322 VanDerWaalsContact O-CA 3.24Å; V303-Y322 WeakPolarHBondContact O-CA 3.12Å; V303-Y322 WeakPolarHBondContact O-CB 3.39Å; F320-Y322 HydrophobicContact CD1-CD1 4.04Å; F320-Y322 AromaticContact CE1-CD1 3.42Å; F320-Y322 HydrophobicContact CE1-CD1 3.42Å; F320-Y322 VanDerWaalsContact CE1-CD1 3.42Å; F320-Y322 HydrophobicContact CE1-CE1 4.2Å; F320-Y322 HydrophobicContact CE1-CG 4.06Å; F320-Y322 HydrophobicContact CZ-CD1 4.2Å; F320-Y322 HydrophobicContact CZ-CG 4.41Å; Y322-P324 WeakPolarHBondContact O-CD 3.19Å; Y322-R327 HydrophobicContact CE2-CB 4.09Å; Y322-F331 HydrophobicContact CD1-CB 4.05Å; Y322-F331 HydrophobicContact CD2-CB 3.81Å; Y322-F331 HydrophobicContact CD2-CD2 4.03Å; Y322-F331 HydrophobicContact CD2-CG 4.14Å; Y322-F331 HydrophobicContact CE1-CB 4.4Å; Y322-F331 HydrophobicContact CE2-CB 4.23Å; Y322-F331 HydrophobicContact CG-CB 3.73Å; Y322-F331 HydrophobicContact CG-CG 4.22Å
323	D	98.4	Very high	96.4	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.011	11%	0.106	C	C	.	.			trans	-67.5	114.1	178.5	-169.3	-29.2	0	0	0	109.3	L246 K249 R301 V303 D325 L326	L246-D323 HydrophobicContact CD1-CB 3.89Å; K249-D323 WeakPolarHBondContact CE-OD1 3.47Å; K249-D323 VanDerWaalsContact NZ-CG 3.27Å; K249-D323 IonicContact NZ-OD1 2.64Å; K249-D323 PolarHBondContact NZ-OD1 3.25Å; K249-D323 IonicContact NZ-OD2 3.65Å; K249-D323 PolarHBondContact NZ-OD2 3.02Å; K249-D323 VanDerWaalsContact NZ-OD2 3.12Å; R301-D323 IonicContact CZ-OD2 3.81Å; R301-D323 IonicContact NH1-OD2 3.86Å; R301-D323 IonicContact NH2-OD2 2.7Å; R301-D323 PolarHBondContact NH2-OD2 3.33Å; V303-D323 HydrophobicContact CB-CB 4.44Å; V303-D323 PolarHBondContact O-N 2.71Å; D323-D325 PolarHBondContact O-N 3.49Å; D323-D325 WeakPolarHBondContact OD1-CB 3.46Å; D323-D325 PolarHBondContact OD1-N 2.87Å; D323-L326 HydrophobicContact CB-CD1 4.31Å; D323-L326 HydrophobicContact CB-CG 4.34Å; D323-L326 PolarHBondContact O-N 3.13Å
324	P	96.8	Very high	96.2	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-59.8	-18.5	-178	-22.9	34.3	0	0	0	114.7	K249 F253 V254 Y322 L326 R327	K249-P324 HydrophobicContact CG-CG 4.35Å; F253-P324 HydrophobicContact CB-CB 4.2Å; F253-P324 HydrophobicContact CB-CG 3.82Å; F253-P324 HydrophobicContact CD1-CB 3.41Å; F253-P324 VanDerWaalsContact CD1-CB 3.41Å; F253-P324 HydrophobicContact CD1-CG 3.94Å; F253-P324 HydrophobicContact CD2-CB 4.36Å; F253-P324 HydrophobicContact CE1-CB 3.79Å; F253-P324 HydrophobicContact CG-CB 3.73Å; F253-P324 HydrophobicContact CG-CG 3.94Å; F253-P324 HydrophobicContact CZ-CB 4.41Å; V254-P324 HydrophobicContact CG2-CG 4.39Å; Y322-P324 WeakPolarHBondContact O-CD 3.19Å; P324-L326 PolarHBondContact O-N 3.11Å; P324-R327 WeakPolarHBondContact O-CB 3.44Å; P324-R327 WeakPolarHBondContact O-CD 3.18Å; P324-R327 VanDerWaalsContact O-CG 3.28Å; P324-R327 WeakPolarHBondContact O-CG 3.04Å; P324-R327 PolarHBondContact O-N 2.97Å; P324-R327 PolarHBondContact O-NH1 3.42Å
325	D	95.1	Very high	96.1	Very high	92 Å²	92	20.4 Å²	20.4	49%	0.492	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-69.4	-22.3	174.7	-64.1	-28.8	0	0	0	111.8	K249 D323 F328	K249-D325 IonicContact NZ-OD2 3.59Å; K249-D325 PolarHBondContact NZ-OD2 2.98Å; D323-D325 PolarHBondContact O-N 3.49Å; D323-D325 WeakPolarHBondContact OD1-CB 3.46Å; D323-D325 PolarHBondContact OD1-N 2.87Å; D325-F328 WeakPolarHBondContact O-CD1 3.3Å; D325-F328 WeakPolarHBondContact O-CE1 3.34Å
326	L	95.8	Very high	96.1	Very high	19 Å²	19	20.5 Å²	20.5	10%	0.099	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-95.9	11.4	177.1	-57	178.7	0	0	0	113.9	F95 L298 V303 D323 P324 F328 L329 F331	F95-L326 HydrophobicContact CZ-CD2 4.41Å; L298-L326 HydrophobicContact CD2-CD1 4.09Å; L298-L326 HydrophobicContact CD2-CD2 4.38Å; V303-L326 HydrophobicContact CB-CD1 3.69Å; V303-L326 HydrophobicContact CG1-CD1 3.82Å; V303-L326 HydrophobicContact CG2-CD1 4.05Å; D323-L326 HydrophobicContact CB-CD1 4.31Å; D323-L326 HydrophobicContact CB-CG 4.34Å; D323-L326 PolarHBondContact O-N 3.13Å; P324-L326 PolarHBondContact O-N 3.11Å; L326-F328 HydrophobicContact CD2-CE1 3.95Å; L326-F328 HydrophobicContact CD2-CZ 4.26Å; L326-F328 PolarHBondContact O-N 3.27Å; L326-L329 HydrophobicContact CB-CD1 4.33Å; L326-L329 HydrophobicContact CD2-CD1 4.44Å; L326-L329 WeakPolarHBondContact O-CB 3.36Å; L326-L329 PolarHBondContact O-N 2.86Å; L326-F331 HydrophobicContact CB-CD2 3.91Å; L326-F331 HydrophobicContact CB-CE2 3.59Å; L326-F331 HydrophobicContact CD1-CE2 3.71Å; L326-F331 HydrophobicContact CD1-CZ 4.18Å; L326-F331 HydrophobicContact CG-CE2 4.3Å
327	R	92.9	Very high	96	Very high	101 Å²	101	20.5 Å²	20.5	38%	0.381	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-52.2	-33	178.9	68.6	-173.8	174.5	-86	3.5	113.6	D109 Y322 P324 L329 S330	D109-R327 WeakPolarHBondContact OD2-CB 3.43Å; Y322-R327 HydrophobicContact CE2-CB 4.09Å; P324-R327 WeakPolarHBondContact O-CB 3.44Å; P324-R327 WeakPolarHBondContact O-CD 3.18Å; P324-R327 VanDerWaalsContact O-CG 3.28Å; P324-R327 WeakPolarHBondContact O-CG 3.04Å; P324-R327 PolarHBondContact O-N 2.97Å; P324-R327 PolarHBondContact O-NH1 3.42Å; R327-L329 PolarHBondContact O-N 3.31Å; R327-S330 PolarHBondContact O-N 2.77Å
328	F	92.7	Very high	96	Very high	23 Å²	23	20.9 Å²	20.9	10%	0.101	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-57	-21.2	177.2	70.8	-88.1	0	0	0	113.7	R91 F95 I101 S105 D325 L326	R91-F328 WeakPolarHBondContact CD-O 3.44Å; R91-F328 PolarHBondContact NH1-O 3.41Å; F95-F328 AromaticContact CD2-CE2 3.75Å; F95-F328 HydrophobicContact CD2-CE2 3.75Å; F95-F328 AromaticContact CD2-CZ 3.74Å; F95-F328 HydrophobicContact CD2-CZ 3.74Å; F95-F328 HydrophobicContact CE2-CE2 4.15Å; F95-F328 AromaticContact CE2-CZ 3.64Å; F95-F328 HydrophobicContact CE2-CZ 3.64Å; F95-F328 HydrophobicContact CG-CE2 4.23Å; F95-F328 HydrophobicContact CG-CZ 4.4Å; F95-F328 HydrophobicContact CZ-CZ 4.21Å; I101-F328 HydrophobicContact CB-CE2 4.46Å; I101-F328 HydrophobicContact CG1-CE2 4.4Å; I101-F328 HydrophobicContact CG1-CZ 4.21Å; I101-F328 HydrophobicContact CG2-CD1 4.32Å; I101-F328 HydrophobicContact CG2-CD2 4.23Å; I101-F328 HydrophobicContact CG2-CE1 4.37Å; I101-F328 HydrophobicContact CG2-CE2 4.27Å; I101-F328 HydrophobicContact CG2-CG 4.26Å; I101-F328 HydrophobicContact CG2-CZ 4.35Å; S105-F328 WeakPolarHBondContact OG-CA 3.29Å; S105-F328 PolarHBondContact OG-O 3.33Å; D325-F328 WeakPolarHBondContact O-CD1 3.3Å; D325-F328 WeakPolarHBondContact O-CE1 3.34Å; L326-F328 HydrophobicContact CD2-CE1 3.95Å; L326-F328 HydrophobicContact CD2-CZ 4.26Å; L326-F328 PolarHBondContact O-N 3.27Å
329	L	93.9	Very high	96	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-80.2	-14.4	176.1	-64.7	178.5	0	0	0	113.8	R91 F92 F95 L326 R327 F331	R91-L329 HydrophobicContact CG-CD2 4.26Å; F92-L329 HydrophobicContact CD1-CD1 4.38Å; F92-L329 HydrophobicContact CD2-CB 4.11Å; F92-L329 HydrophobicContact CE1-CB 4.27Å; F92-L329 HydrophobicContact CE1-CD1 3.96Å; F92-L329 HydrophobicContact CE2-CB 3.54Å; F92-L329 WeakPolarHBondContact CE2-O 3.34Å; F92-L329 HydrophobicContact CZ-CB 3.62Å; F92-L329 HydrophobicContact CZ-CD1 4.12Å; F92-L329 HydrophobicContact CZ-CG 4.42Å; F95-L329 HydrophobicContact CB-CD2 3.66Å; F95-L329 HydrophobicContact CD1-CD1 3.67Å; F95-L329 HydrophobicContact CD1-CD2 4.02Å; F95-L329 HydrophobicContact CD1-CG 4.47Å; F95-L329 HydrophobicContact CD2-CD2 4.48Å; F95-L329 HydrophobicContact CE1-CD1 3.86Å; F95-L329 HydrophobicContact CG-CD1 4.21Å; F95-L329 HydrophobicContact CG-CD2 3.78Å; L326-L329 HydrophobicContact CB-CD1 4.33Å; L326-L329 HydrophobicContact CD2-CD1 4.44Å; L326-L329 WeakPolarHBondContact O-CB 3.36Å; L326-L329 PolarHBondContact O-N 2.86Å; R327-L329 PolarHBondContact O-N 3.31Å; L329-F331 HydrophobicContact CB-CD2 4.03Å; L329-F331 HydrophobicContact CB-CE2 4.14Å; L329-F331 HydrophobicContact CD1-CD2 4.45Å; L329-F331 HydrophobicContact CD1-CE2 3.74Å; L329-F331 HydrophobicContact CD1-CZ 4.4Å
330	S	92.9	Very high	96.1	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.014	8%	0.084	C	C	.	.			trans	59.8	52.4	-175.8	-54	0	0	0	0	112.4	R91 R327 G332 I333 Y334	R91-S330 PolarHBondContact NH1-OG 3.23Å; R327-S330 PolarHBondContact O-N 2.77Å; S330-G332 PolarHBondContact O-N 2.81Å; S330-G332 VanDerWaalsContact O-N 3.16Å; S330-I333 PolarHBondContact O-N 2.89Å; S330-Y334 PolarHBondContact O-N 2.79Å
331	F	94.1	Very high	96	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-52.8	-36	-174.7	-104.1	-78.1	0	0	0	114.1	F92 V303 A304 F320 Y322 L326 L329 I333 Y334 S335	F92-F331 HydrophobicContact CE1-CD1 4.4Å; F92-F331 AromaticContact CE1-CE1 3.83Å; F92-F331 HydrophobicContact CE1-CE1 3.83Å; F92-F331 HydrophobicContact CE1-CE2 4.04Å; F92-F331 AromaticContact CE1-CZ 3.63Å; F92-F331 HydrophobicContact CE1-CZ 3.63Å; F92-F331 AromaticContact CZ-CD1 3.77Å; F92-F331 HydrophobicContact CZ-CD1 3.77Å; F92-F331 AromaticContact CZ-CD2 3.87Å; F92-F331 HydrophobicContact CZ-CD2 3.87Å; F92-F331 AromaticContact CZ-CE1 3.65Å; F92-F331 HydrophobicContact CZ-CE1 3.65Å; F92-F331 AromaticContact CZ-CE2 3.75Å; F92-F331 HydrophobicContact CZ-CE2 3.75Å; F92-F331 AromaticContact CZ-CG 3.88Å; F92-F331 HydrophobicContact CZ-CG 3.88Å; F92-F331 AromaticContact CZ-CZ 3.65Å; F92-F331 HydrophobicContact CZ-CZ 3.65Å; V303-F331 HydrophobicContact CG2-CZ 4.07Å; A304-F331 HydrophobicContact CB-CD1 3.85Å; A304-F331 HydrophobicContact CB-CE1 3.92Å; F320-F331 HydrophobicContact CE1-CB 3.91Å; F320-F331 HydrophobicContact CZ-CB 3.89Å; F320-F331 HydrophobicContact CZ-CD1 4.16Å; F320-F331 HydrophobicContact CZ-CG 4.46Å; Y322-F331 HydrophobicContact CD1-CB 4.05Å; Y322-F331 HydrophobicContact CD2-CB 3.81Å; Y322-F331 HydrophobicContact CD2-CD2 4.03Å; Y322-F331 HydrophobicContact CD2-CG 4.14Å; Y322-F331 HydrophobicContact CE1-CB 4.4Å; Y322-F331 HydrophobicContact CE2-CB 4.23Å; Y322-F331 HydrophobicContact CG-CB 3.73Å; Y322-F331 HydrophobicContact CG-CG 4.22Å; L326-F331 HydrophobicContact CB-CD2 3.91Å; L326-F331 HydrophobicContact CB-CE2 3.59Å; L326-F331 HydrophobicContact CD1-CE2 3.71Å; L326-F331 HydrophobicContact CD1-CZ 4.18Å; L326-F331 HydrophobicContact CG-CE2 4.3Å; L329-F331 HydrophobicContact CB-CD2 4.03Å; L329-F331 HydrophobicContact CB-CE2 4.14Å; L329-F331 HydrophobicContact CD1-CD2 4.45Å; L329-F331 HydrophobicContact CD1-CE2 3.74Å; L329-F331 HydrophobicContact CD1-CZ 4.4Å; F331-I333 VanDerWaalsContact C-N 3.27Å; F331-I333 PolarHBondContact O-N 2.76Å; F331-Y334 PolarHBondContact O-N 3.47Å; F331-Y334 VanDerWaalsContact O-N 3.11Å; F331-S335 PolarHBondContact O-N 3.47Å; F331-S335 PolarHBondContact O-OG 3.37Å
332	G	92.3	Very high	96	Very high	18 Å²	18	17.7 Å²	17.7	19%	0.186	9%	0.087	C	C	.	.	H	α-helix	trans	-65.1	-25.9	178.8	0	0	0	0	0	114.6	S330 S335	S330-G332 PolarHBondContact O-N 2.81Å; S330-G332 VanDerWaalsContact O-N 3.16Å; G332-S335 PolarHBondContact O-OG 2.91Å
333	I	95.9	Very high	96	Very high	18 Å²	18	16.9 Å²	16.9	9%	0.092	8%	0.084	C	C	.	.	H	α-helix	trans	-80.8	-40.3	171.7	-64.8	173.1	0	0	0	109.7	Q85 V88 F108 S330 F331 A336 L337 Y370 F374	Q85-I333 HydrophobicContact CG-CG2 3.86Å; V88-I333 HydrophobicContact CB-CG2 4.29Å; V88-I333 HydrophobicContact CG1-CB 4.32Å; V88-I333 HydrophobicContact CG1-CG2 4.21Å; V88-I333 HydrophobicContact CG2-CB 4.37Å; V88-I333 HydrophobicContact CG2-CD1 4.16Å; V88-I333 HydrophobicContact CG2-CG2 4.1Å; F108-I333 HydrophobicContact CD1-CD1 3.81Å; F108-I333 HydrophobicContact CE1-CD1 4.41Å; S330-I333 PolarHBondContact O-N 2.89Å; F331-I333 VanDerWaalsContact C-N 3.27Å; F331-I333 PolarHBondContact O-N 2.76Å; I333-A336 PolarHBondContact O-N 3.21Å; I333-L337 HydrophobicContact CG2-CD1 4.17Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.8Å; I333-L337 VanDerWaalsContact O-N 3.12Å; I333-Y370 HydrophobicContact CG1-CD2 4.43Å; I333-F374 HydrophobicContact CG2-CZ 4.29Å
334	Y	95.5	Very high	96	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-43	-178.3	-173.2	-97.4	0	0	0	112.6	F92 L209 L222 F296 S330 F331 A336 L337 K338	F92-Y334 HydrophobicContact CB-CD2 4.26Å; F92-Y334 HydrophobicContact CB-CE2 4Å; F92-Y334 HydrophobicContact CD1-CD1 4.29Å; F92-Y334 HydrophobicContact CD1-CD2 4.19Å; F92-Y334 HydrophobicContact CD1-CE1 4.17Å; F92-Y334 HydrophobicContact CD1-CE2 4.07Å; F92-Y334 HydrophobicContact CD1-CG 4.29Å; F92-Y334 HydrophobicContact CD2-CD1 4.46Å; F92-Y334 AromaticContact CD2-CD2 3.47Å; F92-Y334 HydrophobicContact CD2-CD2 3.47Å; F92-Y334 VanDerWaalsContact CD2-CD2 3.47Å; F92-Y334 HydrophobicContact CD2-CE2 4.04Å; F92-Y334 AromaticContact CD2-CG 3.71Å; F92-Y334 HydrophobicContact CD2-CG 3.71Å; F92-Y334 AromaticContact CE1-CD1 3.85Å; F92-Y334 HydrophobicContact CE1-CD1 3.85Å; F92-Y334 HydrophobicContact CE1-CD2 4.41Å; F92-Y334 HydrophobicContact CE1-CE1 4.01Å; F92-Y334 HydrophobicContact CE1-CG 4.05Å; F92-Y334 HydrophobicContact CE2-CD1 4.01Å; F92-Y334 AromaticContact CE2-CD2 3.7Å; F92-Y334 HydrophobicContact CE2-CD2 3.7Å; F92-Y334 AromaticContact CE2-CG 3.4Å; F92-Y334 HydrophobicContact CE2-CG 3.4Å; F92-Y334 AromaticContact CG-CD2 3.71Å; F92-Y334 HydrophobicContact CG-CD2 3.71Å; F92-Y334 AromaticContact CG-CE2 3.77Å; F92-Y334 HydrophobicContact CG-CE2 3.77Å; F92-Y334 HydrophobicContact CG-CG 4.13Å; F92-Y334 AromaticContact CZ-CD1 3.69Å; F92-Y334 HydrophobicContact CZ-CD1 3.69Å; F92-Y334 HydrophobicContact CZ-CD2 4.18Å; F92-Y334 HydrophobicContact CZ-CE1 4.32Å; F92-Y334 AromaticContact CZ-CG 3.6Å; F92-Y334 HydrophobicContact CZ-CG 3.6Å; L209-Y334 HydrophobicContact CD2-CD2 4.37Å; L209-Y334 HydrophobicContact CD2-CE2 3.76Å; L222-Y334 HydrophobicContact CD2-CE1 3.79Å; L222-Y334 VanDerWaalsContact CD2-OH 3.26Å; L222-Y334 WeakPolarHBondContact CD2-OH 3.5Å; F296-Y334 HydrophobicContact CD1-CE1 4.44Å; F296-Y334 HydrophobicContact CE1-CD1 4.23Å; F296-Y334 HydrophobicContact CE1-CE1 4.12Å; S330-Y334 PolarHBondContact O-N 2.79Å; F331-Y334 PolarHBondContact O-N 3.47Å; F331-Y334 VanDerWaalsContact O-N 3.11Å; Y334-A336 PolarHBondContact O-N 3.33Å; Y334-L337 WeakPolarHBondContact O-CB 3.46Å; Y334-L337 PolarHBondContact O-N 2.5Å; Y334-L337 VanDerWaalsContact O-N 3.14Å; Y334-K338 HydrophobicContact CD1-CG 4.21Å; Y334-K338 HydrophobicContact CE1-CD 4.41Å; Y334-K338 HydrophobicContact CE1-CG 3.83Å; Y334-K338 PolarHBondContact O-N 3.29Å
335	S	96.6	Very high	96	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-44	175.7	59.4	0	0	0	0	111.7	F320 F331 G332 L337 K338 E339	F320-S335 WeakPolarHBondContact CE2-OG 3.35Å; F320-S335 WeakPolarHBondContact CZ-OG 3.5Å; F331-S335 PolarHBondContact O-N 3.47Å; F331-S335 PolarHBondContact O-OG 3.37Å; G332-S335 PolarHBondContact O-OG 2.91Å; S335-L337 VanDerWaalsContact C-N 3.28Å; S335-L337 PolarHBondContact O-N 3.23Å; S335-K338 CarbonylContact O-C 3.44Å; S335-K338 PolarHBondContact O-N 3Å; S335-E339 WeakPolarHBondContact O-CG 3.32Å; S335-E339 PolarHBondContact O-N 3.17Å
336	A	97.9	Very high	96.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-36.7	174.5	0	0	0	0	0	112.8	I333 Y334 E339 I340 Y356 M358 F374	I333-A336 PolarHBondContact O-N 3.21Å; Y334-A336 PolarHBondContact O-N 3.33Å; A336-E339 PolarHBondContact O-N 3.23Å; A336-I340 VanDerWaalsContact O-CG1 3.29Å; A336-I340 WeakPolarHBondContact O-CG1 3.34Å; A336-I340 PolarHBondContact O-N 3.34Å; A336-Y356 HydrophobicContact CB-CE1 4.11Å; A336-M358 HydrophobicContact CB-CE 4.12Å; A336-F374 HydrophobicContact CB-CE1 3.55Å; A336-F374 HydrophobicContact CB-CZ 3.55Å
337	L	97.5	Very high	96.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-39.3	174.1	-67.9	167.3	0	0	0	111.9	F79 Q85 M89 I205 L209 I333 Y334 S335 I340 E341 F374	F79-L337 HydrophobicContact CE1-CD2 3.54Å; F79-L337 HydrophobicContact CZ-CD2 3.56Å; Q85-L337 HydrophobicContact CB-CD1 4.23Å; Q85-L337 HydrophobicContact CB-CD2 4.38Å; Q85-L337 HydrophobicContact CG-CD2 4.37Å; M89-L337 HydrophobicContact CE-CD1 4.44Å; M89-L337 HydrophobicContact CG-CD1 3.72Å; M89-L337 HydrophobicContact SD-CD1 3.9Å; I205-L337 HydrophobicContact CD1-CB 4.28Å; I205-L337 HydrophobicContact CD1-CD2 3.96Å; I205-L337 WeakPolarHBondContact CD1-O 3.32Å; L209-L337 HydrophobicContact CD2-CB 4.29Å; I333-L337 HydrophobicContact CG2-CD1 4.17Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 2.8Å; I333-L337 VanDerWaalsContact O-N 3.12Å; Y334-L337 WeakPolarHBondContact O-CB 3.46Å; Y334-L337 PolarHBondContact O-N 2.5Å; Y334-L337 VanDerWaalsContact O-N 3.14Å; S335-L337 VanDerWaalsContact C-N 3.28Å; S335-L337 PolarHBondContact O-N 3.23Å; L337-I340 PolarHBondContact O-N 2.92Å; L337-E341 PolarHBondContact O-N 3.33Å; L337-F374 HydrophobicContact CD2-CE1 4.34Å; L337-F374 HydrophobicContact CG-CE1 4.46Å
338	K	97.2	Very high	96.5	Very high	26 Å²	26	22.7 Å²	22.7	11%	0.113	11%	0.108	C	C	.	.	H	α-helix	trans	-68.7	-34	175.1	-72.9	-72.2	-59.2	178.4	0	112.6	L209 Y294 F296 Y334 S335 E341 L342	L209-K338 HydrophobicContact CD1-CD 4.07Å; L209-K338 HydrophobicContact CD2-CD 3.99Å; L209-K338 HydrophobicContact CD2-CG 4.26Å; L209-K338 HydrophobicContact CG-CD 4.45Å; Y294-K338 HydrophobicContact CE1-CB 3.95Å; Y294-K338 VanDerWaalsContact OH-CE 3.31Å; Y294-K338 WeakPolarHBondContact OH-CE 3.47Å; F296-K338 HydrophobicContact CE1-CB 4.21Å; F296-K338 HydrophobicContact CE1-CG 4.01Å; F296-K338 HydrophobicContact CZ-CB 4.13Å; F296-K338 HydrophobicContact CZ-CG 4.44Å; Y334-K338 HydrophobicContact CD1-CG 4.21Å; Y334-K338 HydrophobicContact CE1-CD 4.41Å; Y334-K338 HydrophobicContact CE1-CG 3.83Å; Y334-K338 PolarHBondContact O-N 3.29Å; S335-K338 CarbonylContact O-C 3.44Å; S335-K338 PolarHBondContact O-N 3Å; K338-E341 WeakPolarHBondContact CD-OE2 3.46Å; K338-E341 VanDerWaalsContact CE-OE2 3.25Å; K338-E341 WeakPolarHBondContact CE-OE2 3.31Å; K338-E341 IonicContact NZ-OE2 2.68Å; K338-E341 PolarHBondContact NZ-OE2 3.09Å; K338-E341 PolarHBondContact O-N 3.44Å; K338-L342 WeakPolarHBondContact O-CB 3.43Å; K338-L342 PolarHBondContact O-N 2.81Å
339	E	98.4	Very high	96.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-70.2	-34.2	173.3	-72.6	169.1	-131.5	0	0	111.9	Y294 S306 L308 S317 S335 A336 L342 T343 Y356	Y294-E339 HydrophobicContact CD1-CG 4.42Å; S306-E339 WeakPolarHBondContact CB-OE1 3.26Å; S306-E339 VanDerWaalsContact OG-CD 3.25Å; S306-E339 PolarHBondContact OG-OE1 3.28Å; L308-E339 HydrophobicContact CD2-CG 3.98Å; S317-E339 WeakPolarHBondContact CB-OE2 3.45Å; S317-E339 PolarHBondContact OG-OE2 3.09Å; S335-E339 WeakPolarHBondContact O-CG 3.32Å; S335-E339 PolarHBondContact O-N 3.17Å; A336-E339 PolarHBondContact O-N 3.23Å; E339-L342 PolarHBondContact O-N 3.19Å; E339-T343 WeakPolarHBondContact O-CB 3.41Å; E339-T343 PolarHBondContact O-N 2.96Å; E339-T343 PolarHBondContact O-OG1 3.25Å; E339-Y356 HydrophobicContact CB-CD2 4.08Å; E339-Y356 HydrophobicContact CB-CE1 4.39Å; E339-Y356 HydrophobicContact CB-CE2 3.49Å; E339-Y356 VanDerWaalsContact CB-CE2 3.49Å; E339-Y356 VanDerWaalsContact CD-OH 3.27Å; E339-Y356 HydrophobicContact CG-CE2 4.24Å; E339-Y356 WeakPolarHBondContact OE2-CE2 3.34Å; E339-Y356 PolarHBondContact OE2-OH 3.09Å
340	I	98.5	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-45.1	169.9	-71	165.4	0	0	0	110.8	A76 F79 I205 A336 L337 T343 R344 Y356 F374	A76-I340 HydrophobicContact CB-CG2 4.18Å; F79-I340 HydrophobicContact CB-CG2 4.1Å; F79-I340 HydrophobicContact CD1-CD1 4.01Å; F79-I340 HydrophobicContact CD1-CG2 3.83Å; F79-I340 HydrophobicContact CD2-CD1 3.91Å; F79-I340 HydrophobicContact CE1-CD1 4.03Å; F79-I340 HydrophobicContact CE2-CD1 3.95Å; F79-I340 HydrophobicContact CG-CD1 3.93Å; F79-I340 HydrophobicContact CG-CG2 4.09Å; F79-I340 HydrophobicContact CZ-CD1 4.01Å; I205-I340 HydrophobicContact CD1-CB 4.17Å; I205-I340 HydrophobicContact CD1-CG2 3.83Å; A336-I340 VanDerWaalsContact O-CG1 3.29Å; A336-I340 WeakPolarHBondContact O-CG1 3.34Å; A336-I340 PolarHBondContact O-N 3.34Å; L337-I340 PolarHBondContact O-N 2.92Å; I340-T343 WeakPolarHBondContact O-CB 3.34Å; I340-T343 PolarHBondContact O-N 3.01Å; I340-R344 HydrophobicContact CG2-CG 4.46Å; I340-R344 WeakPolarHBondContact O-CD 3.42Å; I340-R344 VanDerWaalsContact O-CG 3.23Å; I340-R344 WeakPolarHBondContact O-CG 3.19Å; I340-R344 PolarHBondContact O-N 2.83Å; I340-Y356 HydrophobicContact CD1-CD1 4.05Å; I340-Y356 HydrophobicContact CD1-CE1 4.49Å; I340-Y356 HydrophobicContact CG1-CD1 3.48Å; I340-Y356 VanDerWaalsContact CG1-CD1 3.48Å; I340-Y356 HydrophobicContact CG1-CE1 4.11Å; I340-Y356 HydrophobicContact CG1-CG 4.05Å; I340-F374 HydrophobicContact CD1-CD1 3.71Å; I340-F374 HydrophobicContact CD1-CE1 4.28Å
341	E	97.2	Very high	97.1	Very high	25 Å²	25	28.5 Å²	28.5	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-46.3	174.4	-179.8	-172.9	-116.8	0	0	111.5	E206 L209 L337 K338 T343 R344 K345	E206-E341 HydrophobicContact CG-CG 4.37Å; L209-E341 HydrophobicContact CD1-CB 3.75Å; L209-E341 HydrophobicContact CD1-CG 4.2Å; L337-E341 PolarHBondContact O-N 3.33Å; K338-E341 WeakPolarHBondContact CD-OE2 3.46Å; K338-E341 VanDerWaalsContact CE-OE2 3.25Å; K338-E341 WeakPolarHBondContact CE-OE2 3.31Å; K338-E341 IonicContact NZ-OE2 2.68Å; K338-E341 PolarHBondContact NZ-OE2 3.09Å; K338-E341 PolarHBondContact O-N 3.44Å; E341-T343 VanDerWaalsContact C-N 3.33Å; E341-T343 PolarHBondContact O-N 3.06Å; E341-R344 PolarHBondContact O-N 3.09Å; E341-R344 VanDerWaalsContact O-N 3.17Å; E341-K345 PolarHBondContact O-N 2.81Å
342	L	98	Very high	97.3	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-44.7	175.7	-178.2	61.1	0	0	0	111.4	L226 Y294 L308 I315 K338 E339 R344 K345 L346	L226-L342 HydrophobicContact CD1-CD2 4.11Å; L226-L342 HydrophobicContact CD2-CD1 4.4Å; L226-L342 HydrophobicContact CD2-CD2 4.26Å; Y294-L342 HydrophobicContact CE1-CD2 4.45Å; L308-L342 HydrophobicContact CD2-CD2 4.36Å; I315-L342 HydrophobicContact CD1-CB 3.97Å; I315-L342 HydrophobicContact CD1-CD2 3.72Å; I315-L342 HydrophobicContact CD1-CG 3.54Å; K338-L342 WeakPolarHBondContact O-CB 3.43Å; K338-L342 PolarHBondContact O-N 2.81Å; E339-L342 PolarHBondContact O-N 3.19Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.38Å; L342-K345 PolarHBondContact O-N 2.85Å; L342-L346 HydrophobicContact CD1-CD1 4.26Å; L342-L346 HydrophobicContact CD1-CG 4.2Å; L342-L346 HydrophobicContact CG-CD1 4.28Å; L342-L346 WeakPolarHBondContact O-CG 3.37Å; L342-L346 PolarHBondContact O-N 2.98Å
343	T	98.7	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-44.6	176	-54.2	0	0	0	0	111	A76 I315 E339 I340 E341 L346 S347 L353	A76-T343 HydrophobicContact CB-CG2 3.49Å; A76-T343 VanDerWaalsContact CB-CG2 3.49Å; I315-T343 WeakPolarHBondContact CD1-OG1 3.43Å; E339-T343 WeakPolarHBondContact O-CB 3.41Å; E339-T343 PolarHBondContact O-N 2.96Å; E339-T343 PolarHBondContact O-OG1 3.25Å; I340-T343 WeakPolarHBondContact O-CB 3.34Å; I340-T343 PolarHBondContact O-N 3.01Å; E341-T343 VanDerWaalsContact C-N 3.33Å; E341-T343 PolarHBondContact O-N 3.06Å; T343-L346 PolarHBondContact O-N 2.8Å; T343-S347 WeakPolarHBondContact O-CB 3.43Å; T343-S347 PolarHBondContact O-N 3.26Å; T343-L353 HydrophobicContact CG2-CD2 3.65Å
344	R	98.1	Very high	97.7	Very high	54 Å²	54	34 Å²	34	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-34.8	179.7	-68.1	164.6	65.5	76.8	8.4	112.8	A76 L77 E206 I340 E341 L342 S347 Q348	A76-R344 HydrophobicContact CB-CG 4.23Å; A76-R344 WeakPolarHBondContact O-CD 3.43Å; A76-R344 WeakPolarHBondContact O-CG 3.35Å; A76-R344 PolarHBondContact O-NH1 3.5Å; L77-R344 VanDerWaalsContact C-NH1 3.28Å; L77-R344 HydrophobicContact CD2-CB 4.37Å; L77-R344 HydrophobicContact CD2-CG 3.96Å; L77-R344 PolarHBondContact O-NH1 3.2Å; E206-R344 WeakPolarHBondContact OE1-CD 3.35Å; E206-R344 IonicContact OE1-CZ 2.8Å; E206-R344 IonicContact OE1-NE 3.85Å; E206-R344 PolarHBondContact OE1-NE 3.42Å; E206-R344 IonicContact OE1-NH2 3.54Å; E206-R344 IonicContact OE2-NE 3.61Å; E206-R344 IonicContact OE2-NH2 3.57Å; I340-R344 HydrophobicContact CG2-CG 4.46Å; I340-R344 WeakPolarHBondContact O-CD 3.42Å; I340-R344 VanDerWaalsContact O-CG 3.23Å; I340-R344 WeakPolarHBondContact O-CG 3.19Å; I340-R344 PolarHBondContact O-N 2.83Å; E341-R344 PolarHBondContact O-N 3.09Å; E341-R344 VanDerWaalsContact O-N 3.17Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.38Å; R344-S347 PolarHBondContact O-OG 2.78Å; R344-Q348 PolarHBondContact O-NE2 3.04Å; R344-Q348 VanDerWaalsContact O-NE2 3.15Å
345	K	96.6	Very high	97.8	Very high	121 Å²	121	35.9 Å²	35.9	53%	0.526	17%	0.174	S	C	.	.	H	α-helix	trans	-65	-52.4	173.6	-176.8	-176.2	176.6	-173.3	0	110.2	E341 L342 S347 Q348	E341-K345 PolarHBondContact O-N 2.81Å; L342-K345 PolarHBondContact O-N 2.85Å; K345-S347 VanDerWaalsContact C-N 3.25Å; K345-S347 PolarHBondContact O-N 2.94Å; K345-Q348 WeakPolarHBondContact O-CB 3.4Å; K345-Q348 PolarHBondContact O-N 3.38Å; K345-Q348 VanDerWaalsContact O-N 3.13Å
346	L	98.3	Very high	98	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-30	-178.9	-62.9	-178.1	0	0	0	112.2	P287 I310 I315 L342 T343 Q348 I349 T350 L353	P287-L346 HydrophobicContact CG-CD1 4.49Å; P287-L346 HydrophobicContact CG-CD2 4.38Å; I310-L346 HydrophobicContact CD1-CD1 3.86Å; I310-L346 HydrophobicContact CG1-CD1 4.39Å; I310-L346 HydrophobicContact CG2-CD1 4.01Å; I315-L346 HydrophobicContact CD1-CD1 4.14Å; L342-L346 HydrophobicContact CD1-CD1 4.26Å; L342-L346 HydrophobicContact CD1-CG 4.2Å; L342-L346 HydrophobicContact CG-CD1 4.28Å; L342-L346 WeakPolarHBondContact O-CG 3.37Å; L342-L346 PolarHBondContact O-N 2.98Å; T343-L346 PolarHBondContact O-N 2.8Å; L346-Q348 PolarHBondContact O-N 3.46Å; L346-I349 PolarHBondContact O-N 3.07Å; L346-T350 PolarHBondContact O-N 3Å; L346-L353 HydrophobicContact CB-CD1 3.96Å; L346-L353 HydrophobicContact CB-CD2 4.41Å; L346-L353 HydrophobicContact CD1-CD1 4.08Å
347	S	98.2	Very high	98	Very high	7 Å²	7	36 Å²	36	5%	0.049	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-22.3	175.8	85.8	0	0	0	0	114	L77 T343 R344 K345 T350 P351 L353	L77-S347 WeakPolarHBondContact CD2-OG 3.35Å; T343-S347 WeakPolarHBondContact O-CB 3.43Å; T343-S347 PolarHBondContact O-N 3.26Å; R344-S347 PolarHBondContact O-OG 2.78Å; K345-S347 VanDerWaalsContact C-N 3.25Å; K345-S347 PolarHBondContact O-N 2.94Å; S347-T350 WeakPolarHBondContact CA-O 3.38Å; S347-T350 CarbonylContact O-C 3.39Å; S347-P351 WeakPolarHBondContact O-CA 3.42Å; S347-L353 WeakPolarHBondContact CA-O 3.45Å; S347-L353 WeakPolarHBondContact CB-O 3.13Å
348	Q	97.4	Very high	98	Very high	151 Å²	151	36.2 Å²	36.2	71%	0.706	18%	0.175	S	C	*	.	H	α-helix	trans	-69.1	-29.3	176.3	-56.5	-49	-57.1	0	0	111.6	R344 K345 L346	R344-Q348 PolarHBondContact O-NE2 3.04Å; R344-Q348 VanDerWaalsContact O-NE2 3.15Å; K345-Q348 WeakPolarHBondContact O-CB 3.4Å; K345-Q348 PolarHBondContact O-N 3.38Å; K345-Q348 VanDerWaalsContact O-N 3.13Å; L346-Q348 PolarHBondContact O-N 3.46Å
349	I	97.8	Very high	97.9	Very high	42 Å²	42	35.2 Å²	35.2	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-94.8	-40.6	179.7	-58	162.3	0	0	0	110.1	H283 D285 H286 L346 P351	H283-I349 HydrophobicContact CB-CG2 3.52Å; D285-I349 HydrophobicContact CB-CD1 3.89Å; H286-I349 HydrophobicContact CB-CD1 4.23Å; H286-I349 HydrophobicContact CB-CG2 4.12Å; L346-I349 PolarHBondContact O-N 3.07Å; I349-P351 WeakPolarHBondContact O-CD 3.09Å
350	T	97.5	Very high	97.8	Very high	17 Å²	17	35.6 Å²	35.6	10%	0.104	17%	0.174	C	C	.	.			trans	-122.6	87.4	-179.2	-60.3	0	0	0	0	109.7	F289 L346 S347 S352 L353	F289-T350 HydrophobicContact CE1-CG2 4.4Å; F289-T350 HydrophobicContact CZ-CG2 4.05Å; L346-T350 PolarHBondContact O-N 3Å; S347-T350 WeakPolarHBondContact CA-O 3.38Å; S347-T350 CarbonylContact O-C 3.39Å; T350-S352 WeakPolarHBondContact CG2-OG 3.35Å; T350-S352 PolarHBondContact O-N 3.11Å; T350-L353 HydrophobicContact CG2-CB 4.01Å; T350-L353 WeakPolarHBondContact O-CB 3.35Å; T350-L353 PolarHBondContact O-N 2.84Å
351	P	97.8	Very high	97.7	Very high	89 Å²	89	36.6 Å²	36.6	58%	0.578	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.3	-174	-28	36.4	0	0	0	115.8	S347 I349 R354	S347-P351 WeakPolarHBondContact O-CA 3.42Å; I349-P351 WeakPolarHBondContact O-CD 3.09Å; P351-R354 PolarHBondContact O-NE 3.09Å; P351-R354 VanDerWaalsContact O-NE 3.09Å; P351-R354 PolarHBondContact O-NH2 3.33Å
352	S	97.7	Very high	97.5	Very high	51 Å²	51	35.4 Å²	35.4	36%	0.357	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-32.8	172.3	55.4	0	0	0	0	112.8	P312 A313 T350 R354	P312-S352 CarbonylContact O-C 3.48Å; P312-S352 WeakPolarHBondContact O-CB 2.98Å; P312-S352 PolarHBondContact O-OG 3.18Å; A313-S352 WeakPolarHBondContact CA-O 3.39Å; T350-S352 WeakPolarHBondContact CG2-OG 3.35Å; T350-S352 PolarHBondContact O-N 3.11Å; S352-R354 PolarHBondContact O-N 2.87Å; S352-R354 VanDerWaalsContact O-N 3.09Å
353	L	98.5	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.			trans	-78.2	91.4	-179.5	-165.1	175.2	0	0	0	109.4	F289 I310 P312 I315 T343 L346 S347 T350	F289-L353 HydrophobicContact CE1-CD1 4.37Å; I310-L353 HydrophobicContact CG2-CD1 3.83Å; P312-L353 PolarHBondContact O-N 3.48Å; I315-L353 HydrophobicContact CG1-CD2 4.05Å; T343-L353 HydrophobicContact CG2-CD2 3.65Å; L346-L353 HydrophobicContact CB-CD1 3.96Å; L346-L353 HydrophobicContact CB-CD2 4.41Å; L346-L353 HydrophobicContact CD1-CD1 4.08Å; S347-L353 WeakPolarHBondContact CA-O 3.45Å; S347-L353 WeakPolarHBondContact CB-O 3.13Å; T350-L353 HydrophobicContact CG2-CB 4.01Å; T350-L353 WeakPolarHBondContact O-CB 3.35Å; T350-L353 PolarHBondContact O-N 2.84Å
354	R	98.2	Very high	96.8	Very high	104 Å²	104	39.8 Å²	39.8	39%	0.392	20%	0.203	S	C	.	.			trans	-133.9	-7.7	-171.5	69	-174.9	69.4	118.5	-7.7	115.3	A76 L77 A313 P351 S352	A76-R354 WeakPolarHBondContact CB-O 3.48Å; A76-R354 PolarHBondContact N-O 2.78Å; L77-R354 HydrophobicContact CD1-CB 3.84Å; L77-R354 HydrophobicContact CG-CB 4.03Å; A313-R354 PolarHBondContact O-N 3.24Å; A313-R354 VanDerWaalsContact O-N 3.09Å; P351-R354 PolarHBondContact O-NE 3.09Å; P351-R354 VanDerWaalsContact O-NE 3.09Å; P351-R354 PolarHBondContact O-NH2 3.33Å; S352-R354 PolarHBondContact O-N 2.87Å; S352-R354 VanDerWaalsContact O-N 3.09Å
355	Y	98.8	Very high	96.4	Very high	42 Å²	42	37.5 Å²	37.5	17%	0.165	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.3	-177.9	-62.5	-70.6	0	0	0	111.6	R73 C74 H75 A313 C314 I315 Y357	R73-Y355 HydrophobicContact CG-CD1 4.37Å; C74-Y355 WeakPolarHBondContact O-CA 3.4Å; H75-Y355 AromaticContact CE1-CE1 3.67Å; H75-Y355 AromaticContact ND1-CE1 3.57Å; A313-Y355 PolarHBondContact O-N 2.82Å; C314-Y355 CarbonylContact C-O 3.55Å; C314-Y355 WeakPolarHBondContact CA-O 3.36Å; C314-Y355 WeakPolarHBondContact CB-O 3.35Å; I315-Y355 PolarHBondContact N-O 3.04Å; Y355-Y357 HydrophobicContact CG-CE2 4.25Å
356	Y	98.8	Very high	96	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.02	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.6	172.1	172.2	-128.3	0	0	0	109.8	R73 C74 I315 S317 A336 E339 I340 M358	R73-Y356 CarbonylContact C-O 3.54Å; R73-Y356 WeakPolarHBondContact CA-O 3.48Å; C74-Y356 HydrophobicContact CB-CD1 4.22Å; C74-Y356 PolarHBondContact N-O 2.92Å; C74-Y356 PolarHBondContact O-N 3.37Å; I315-Y356 HydrophobicContact CB-CD2 4.35Å; I315-Y356 HydrophobicContact CG2-CD2 4.39Å; I315-Y356 CarbonylContact O-C 3.59Å; S317-Y356 WeakPolarHBondContact CB-OH 3.49Å; A336-Y356 HydrophobicContact CB-CE1 4.11Å; E339-Y356 HydrophobicContact CB-CD2 4.08Å; E339-Y356 HydrophobicContact CB-CE1 4.39Å; E339-Y356 HydrophobicContact CB-CE2 3.49Å; E339-Y356 VanDerWaalsContact CB-CE2 3.49Å; E339-Y356 VanDerWaalsContact CD-OH 3.27Å; E339-Y356 HydrophobicContact CG-CE2 4.24Å; E339-Y356 WeakPolarHBondContact OE2-CE2 3.34Å; E339-Y356 PolarHBondContact OE2-OH 3.09Å; I340-Y356 HydrophobicContact CD1-CD1 4.05Å; I340-Y356 HydrophobicContact CD1-CE1 4.49Å; I340-Y356 HydrophobicContact CG1-CD1 3.48Å; I340-Y356 VanDerWaalsContact CG1-CD1 3.48Å; I340-Y356 HydrophobicContact CG1-CE1 4.11Å; I340-Y356 HydrophobicContact CG1-CG 4.05Å; Y356-M358 HydrophobicContact CD1-CE 4.38Å; Y356-M358 HydrophobicContact CD1-CG 3.6Å; Y356-M358 HydrophobicContact CD1-SD 4.05Å; Y356-M358 HydrophobicContact CE1-CB 4.44Å; Y356-M358 HydrophobicContact CE1-CE 3.72Å; Y356-M358 HydrophobicContact CE1-CG 3.47Å; Y356-M358 VanDerWaalsContact CE1-CG 3.47Å; Y356-M358 HydrophobicContact CE1-SD 3.95Å; Y356-M358 HydrophobicContact CG-CG 4.36Å
357	Y	98.8	Very high	95.5	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.2	-177.4	-78.3	-127.3	0	0	0	108.9	I46 D47 V71 R73 C314 I315 S317 Y355 G359 W387	I46-Y357 HydrophobicContact CD1-CD1 3.47Å; I46-Y357 VanDerWaalsContact CD1-CD1 3.47Å; I46-Y357 HydrophobicContact CD1-CE1 4.15Å; I46-Y357 HydrophobicContact CD1-CG 4.01Å; I46-Y357 HydrophobicContact CG1-CD1 3.67Å; I46-Y357 HydrophobicContact CG1-CE1 3.98Å; I46-Y357 HydrophobicContact CG2-CE1 4.25Å; D47-Y357 VanDerWaalsContact OD1-CZ 3.3Å; D47-Y357 PolarHBondContact OD1-OH 3.12Å; V71-Y357 HydrophobicContact CG1-CD1 4.5Å; R73-Y357 HydrophobicContact CB-CD1 4.37Å; R73-Y357 HydrophobicContact CB-CD2 3.73Å; R73-Y357 HydrophobicContact CB-CE1 4.4Å; R73-Y357 HydrophobicContact CB-CE2 3.72Å; R73-Y357 HydrophobicContact CB-CG 4.06Å; R73-Y357 HydrophobicContact CG-CE2 4.44Å; C314-Y357 HydrophobicContact CB-CD2 3.36Å; C314-Y357 HydrophobicContact CB-CE2 3.46Å; C314-Y357 VanDerWaalsContact CB-CE2 3.46Å; C314-Y357 HydrophobicContact CB-CG 4.36Å; I315-Y357 PolarHBondContact O-N 3.07Å; S317-Y357 PolarHBondContact N-O 2.96Å; Y355-Y357 HydrophobicContact CG-CE2 4.25Å; Y357-G359 VanDerWaalsContact C-N 3.33Å; Y357-G359 PolarHBondContact O-N 3.41Å; Y357-W387 HydrophobicContact CD1-CH2 4.32Å; Y357-W387 AromaticContact CE1-CH2 3.59Å; Y357-W387 HydrophobicContact CE1-CH2 3.59Å; Y357-W387 AromaticContact CE1-CZ2 3.65Å; Y357-W387 HydrophobicContact CE1-CZ2 3.65Å; Y357-W387 AromaticContact CZ-CH2 3.97Å; Y357-W387 AromaticContact CZ-CZ2 3.75Å; Y357-W387 VanDerWaalsContact OH-CZ2 3.32Å; Y357-W387 WeakPolarHBondContact OH-CZ2 3.41Å
358	M	97.5	Very high	95.3	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	12.6	-171	-44.8	-176.9	64.7	0	0	112.3	I72 C74 A336 Y356 K371 F374	I72-M358 HydrophobicContact CG2-CB 4.07Å; I72-M358 PolarHBondContact O-N 3.03Å; I72-M358 VanDerWaalsContact O-N 3.09Å; C74-M358 HydrophobicContact CB-SD 4.04Å; A336-M358 HydrophobicContact CB-CE 4.12Å; Y356-M358 HydrophobicContact CD1-CE 4.38Å; Y356-M358 HydrophobicContact CD1-CG 3.6Å; Y356-M358 HydrophobicContact CD1-SD 4.05Å; Y356-M358 HydrophobicContact CE1-CB 4.44Å; Y356-M358 HydrophobicContact CE1-CE 3.72Å; Y356-M358 HydrophobicContact CE1-CG 3.47Å; Y356-M358 VanDerWaalsContact CE1-CG 3.47Å; Y356-M358 HydrophobicContact CE1-SD 3.95Å; Y356-M358 HydrophobicContact CG-CG 4.36Å; M358-K371 HydrophobicContact CB-CB 4.44Å; M358-K371 HydrophobicContact CB-CD 4.03Å; M358-K371 HydrophobicContact CB-CG 4.27Å; M358-K371 HydrophobicContact CE-CB 4.22Å; M358-K371 HydrophobicContact CE-CG 4.13Å; M358-K371 VanDerWaalsContact O-CD 3.26Å; M358-K371 WeakPolarHBondContact O-CD 3.39Å; M358-K371 WeakPolarHBondContact O-CE 3.43Å; M358-K371 PolarHBondContact O-NZ 3.17Å; M358-K371 HydrophobicContact SD-CB 4.39Å; M358-F374 HydrophobicContact CE-CB 4.05Å; M358-F374 HydrophobicContact CE-CD1 3.84Å; M358-F374 HydrophobicContact CE-CD2 3.31Å; M358-F374 HydrophobicContact CE-CE1 4.05Å; M358-F374 HydrophobicContact CE-CE2 3.55Å; M358-F374 HydrophobicContact CE-CG 3.46Å; M358-F374 VanDerWaalsContact CE-CG 3.46Å; M358-F374 HydrophobicContact CE-CZ 3.91Å; M358-F374 HydrophobicContact SD-CB 3.74Å; M358-F374 HydrophobicContact SD-CD1 4.48Å; M358-F374 HydrophobicContact SD-CD2 4.07Å; M358-F374 HydrophobicContact SD-CG 3.86Å
359	G	95.5	Very high	95.1	Very high	5 Å²	5	35.5 Å²	35.5	5%	0.052	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-120.7	-170.8	0	0	0	0	0	111.2	I72 Y357	I72-G359 WeakPolarHBondContact CG2-O 3.2Å; I72-G359 PolarHBondContact N-O 2.86Å; Y357-G359 VanDerWaalsContact C-N 3.33Å; Y357-G359 PolarHBondContact O-N 3.41Å
360	Y	96	Very high	94.9	Very high	7 Å²	7	37 Å²	37	3%	0.027	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.1	-175	-53.3	-65.7	0	0	0	114	R51 Y58 P60 A69 Y70 V71 M368 K371	R51-Y360 WeakPolarHBondContact CB-OH 3.26Å; R51-Y360 HydrophobicContact CG-CE1 3.9Å; R51-Y360 HydrophobicContact CG-CE2 4.13Å; R51-Y360 VanDerWaalsContact CG-CZ 3.45Å; R51-Y360 WeakPolarHBondContact CG-OH 3.26Å; Y58-Y360 HydrophobicContact CE2-CE2 4.13Å; Y58-Y360 WeakPolarHBondContact CE2-OH 3.42Å; P60-Y360 WeakPolarHBondContact CD-OH 3.17Å; P60-Y360 HydrophobicContact CG-CE1 4.13Å; P60-Y360 HydrophobicContact CG-CE2 4.35Å; P60-Y360 WeakPolarHBondContact CG-OH 3.5Å; A69-Y360 HydrophobicContact CB-CD1 3.85Å; A69-Y360 HydrophobicContact CB-CD2 4.01Å; A69-Y360 HydrophobicContact CB-CE1 4.26Å; A69-Y360 HydrophobicContact CB-CE2 4.41Å; A69-Y360 HydrophobicContact CB-CG 3.69Å; A69-Y360 WeakPolarHBondContact O-CD1 3.35Å; Y70-Y360 CarbonylContact O-C 3.56Å; Y70-Y360 WeakPolarHBondContact O-CA 3.47Å; V71-Y360 HydrophobicContact CG2-CD1 4.04Å; V71-Y360 HydrophobicContact CG2-CE1 3.77Å; Y360-M368 HydrophobicContact CD2-CE 4.36Å; Y360-M368 WeakPolarHBondContact O-CE 3.42Å; Y360-K371 VanDerWaalsContact O-CD 3.23Å; Y360-K371 WeakPolarHBondContact O-CD 3.23Å; Y360-K371 PolarHBondContact O-NZ 3.06Å
361	Y	95.8	Very high	94.8	Very high	21 Å²	21	37.1 Å²	37.1	8%	0.082	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.8	161	175.8	-100.7	0	0	0	108.8	Y70 P363 R369 L379 I390 V394 L397	Y70-Y361 PolarHBondContact N-O 2.92Å; Y70-Y361 VanDerWaalsContact N-O 3.09Å; Y70-Y361 PolarHBondContact O-N 2.88Å; Y361-P363 HydrophobicContact CD1-CG 4.23Å; Y361-P363 HydrophobicContact CE1-CB 4.39Å; Y361-P363 HydrophobicContact CE1-CG 3.73Å; Y361-R369 HydrophobicContact CE2-CB 4.42Å; Y361-R369 HydrophobicContact CE2-CG 3.86Å; Y361-R369 VanDerWaalsContact CE2-O 3.28Å; Y361-R369 WeakPolarHBondContact CE2-O 3.05Å; Y361-L379 HydrophobicContact CD1-CD1 3.75Å; Y361-L379 HydrophobicContact CD1-CD2 4.19Å; Y361-L379 HydrophobicContact CE1-CD1 4.27Å; Y361-L379 HydrophobicContact CG-CD2 4.17Å; Y361-I390 HydrophobicContact CD2-CD1 4.06Å; Y361-I390 HydrophobicContact CE2-CD1 4.08Å; Y361-I390 HydrophobicContact CG-CD1 4.3Å; Y361-V394 HydrophobicContact CE1-CG2 4Å; Y361-V394 WeakPolarHBondContact OH-CG2 3.27Å; Y361-L397 HydrophobicContact CE1-CD1 4.25Å
362	I	94.1	Very high	94.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.			trans	-123.3	109.5	178.7	-53.5	-174.6	0	0	0	107.9	Y19 C67 A69 S364 C365 M368	Y19-I362 HydrophobicContact CD1-CD1 3.62Å; Y19-I362 HydrophobicContact CD2-CD1 3.33Å; Y19-I362 HydrophobicContact CE1-CD1 3.68Å; Y19-I362 HydrophobicContact CE2-CD1 3.36Å; Y19-I362 HydrophobicContact CG-CD1 3.46Å; Y19-I362 VanDerWaalsContact CG-CD1 3.46Å; C67-I362 HydrophobicContact CB-CG2 3.9Å; A69-I362 HydrophobicContact CB-CD1 4.23Å; A69-I362 HydrophobicContact CB-CG1 4.37Å; I362-S364 PolarHBondContact O-N 2.74Å; I362-C365 HydrophobicContact CB-CB 3.92Å; I362-C365 HydrophobicContact CG2-CB 3.72Å; I362-C365 PolarHBondContact O-N 2.92Å; I362-C365 VanDerWaalsContact O-N 3.16Å; I362-M368 HydrophobicContact CB-CB 3.79Å; I362-M368 HydrophobicContact CB-CG 4.48Å; I362-M368 HydrophobicContact CD1-CB 4.11Å; I362-M368 HydrophobicContact CD1-CE 4.48Å; I362-M368 HydrophobicContact CD1-CG 3.9Å; I362-M368 HydrophobicContact CG1-CB 3.77Å; I362-M368 HydrophobicContact CG1-CG 4.14Å
363	P	91.6	Very high	94.6	Very high	36 Å²	36	33.9 Å²	33.9	23%	0.234	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.4	-176	-24.9	31.6	0	0	0	114	Y70 Y361 R369 L397	Y70-P363 HydrophobicContact CD2-CG 4.45Å; Y70-P363 HydrophobicContact CE2-CG 4.38Å; Y361-P363 HydrophobicContact CD1-CG 4.23Å; Y361-P363 HydrophobicContact CE1-CB 4.39Å; Y361-P363 HydrophobicContact CE1-CG 3.73Å; P363-R369 PolarHBondContact O-NE 2.84Å; P363-R369 PolarHBondContact O-NH2 2.9Å; P363-L397 HydrophobicContact CG-CD1 3.95Å
364	S	88.9	Confident	94.5	Very high	72 Å²	72	34 Å²	34	50%	0.503	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-14.7	-179.2	54.2	0	0	0	0	114	C67 I362 R369	C67-S364 PolarHBondContact SG-OG 3.2Å; I362-S364 PolarHBondContact O-N 2.74Å; S364-R369 PolarHBondContact O-NH2 3.31Å; S364-R369 VanDerWaalsContact O-NH2 3.11Å
365	C	91	Very high	94.4	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.041	18%	0.18	C	C	.	.			trans	-111	110.4	-172.6	-175.9	0	0	0	0	111.8	Y19 I362 K367 M368 R369	Y19-C365 PolarHBondContact O-SG 3.05Å; I362-C365 HydrophobicContact CB-CB 3.92Å; I362-C365 HydrophobicContact CG2-CB 3.72Å; I362-C365 PolarHBondContact O-N 2.92Å; I362-C365 VanDerWaalsContact O-N 3.16Å; C365-K367 PolarHBondContact O-N 2.83Å; C365-K367 VanDerWaalsContact O-N 3.09Å; C365-M368 HydrophobicContact CB-CB 4.38Å; C365-M368 PolarHBondContact O-N 2.61Å; C365-R369 VanDerWaalsContact O-CB 3.31Å; C365-R369 WeakPolarHBondContact O-CB 3.42Å; C365-R369 PolarHBondContact O-N 2.64Å
366	A	88.7	Confident	94.3	Very high	41 Å²	41	33.2 Å²	33.2	34%	0.339	18%	0.181	S	C	.	.	H	α-helix	trans	-54	-33.8	178.7	0	0	0	0	0	112.8	P111 M368	P111-A366 HydrophobicContact CG-CB 4.05Å; A366-M368 PolarHBondContact O-N 2.76Å
367	K	87.5	Confident	94.3	Very high	69 Å²	69	33 Å²	33	30%	0.3	18%	0.181	S	C	.	.	H	α-helix	trans	-63.6	-20.5	179.1	-56.5	-169.4	178.9	172.8	0	114.3	L110 P111 C365 Y370	L110-K367 HydrophobicContact CB-CD 4.26Å; L110-K367 HydrophobicContact CB-CG 3.97Å; L110-K367 VanDerWaalsContact CD2-CA 3.42Å; L110-K367 HydrophobicContact CD2-CB 3.67Å; L110-K367 HydrophobicContact CD2-CG 3.86Å; L110-K367 HydrophobicContact CG-CG 4.41Å; P111-K367 WeakPolarHBondContact O-CE 3.19Å; C365-K367 PolarHBondContact O-N 2.83Å; C365-K367 VanDerWaalsContact O-N 3.09Å; K367-Y370 WeakPolarHBondContact O-CD1 3.35Å; K367-Y370 VanDerWaalsContact O-CE1 3.3Å; K367-Y370 WeakPolarHBondContact O-CE1 3.44Å
368	M	92.7	Very high	94.2	Very high	25 Å²	25	33.7 Å²	33.7	12%	0.123	18%	0.184	C	C	.	.	H	α-helix	trans	-120.3	-27.4	-175.4	-61.3	-62	-82	0	0	112.1	Y19 Y360 I362 C365 A366 Y370 K371	Y19-M368 HydrophobicContact CD1-CG 3.91Å; Y19-M368 HydrophobicContact CE1-CE 4.05Å; Y19-M368 HydrophobicContact CE1-CG 3.76Å; Y19-M368 HydrophobicContact CE1-SD 4.12Å; Y360-M368 HydrophobicContact CD2-CE 4.36Å; Y360-M368 WeakPolarHBondContact O-CE 3.42Å; I362-M368 HydrophobicContact CB-CB 3.79Å; I362-M368 HydrophobicContact CB-CG 4.48Å; I362-M368 HydrophobicContact CD1-CB 4.11Å; I362-M368 HydrophobicContact CD1-CE 4.48Å; I362-M368 HydrophobicContact CD1-CG 3.9Å; I362-M368 HydrophobicContact CG1-CB 3.77Å; I362-M368 HydrophobicContact CG1-CG 4.14Å; C365-M368 HydrophobicContact CB-CB 4.38Å; C365-M368 PolarHBondContact O-N 2.61Å; A366-M368 PolarHBondContact O-N 2.76Å; M368-Y370 VanDerWaalsContact C-N 3.27Å; M368-Y370 PolarHBondContact O-N 3.08Å; M368-K371 VanDerWaalsContact CE-NZ 3.33Å; M368-K371 PolarHBondContact O-N 2.81Å
369	R	93.8	Very high	94.3	Very high	105 Å²	105	33.4 Å²	33.4	40%	0.396	18%	0.183	S	C	.	.	H	α-helix	trans	-61.4	-31.3	179.6	-168	-168.8	-60.1	129.7	1.2	113.1	Y361 P363 S364 C365 K371 G372	Y361-R369 HydrophobicContact CE2-CB 4.42Å; Y361-R369 HydrophobicContact CE2-CG 3.86Å; Y361-R369 VanDerWaalsContact CE2-O 3.28Å; Y361-R369 WeakPolarHBondContact CE2-O 3.05Å; P363-R369 PolarHBondContact O-NE 2.84Å; P363-R369 PolarHBondContact O-NH2 2.9Å; S364-R369 PolarHBondContact O-NH2 3.31Å; S364-R369 VanDerWaalsContact O-NH2 3.11Å; C365-R369 VanDerWaalsContact O-CB 3.31Å; C365-R369 WeakPolarHBondContact O-CB 3.42Å; C365-R369 PolarHBondContact O-N 2.64Å; R369-K371 PolarHBondContact O-N 3.02Å; R369-G372 PolarHBondContact O-N 2.68Å; R369-G372 VanDerWaalsContact O-N 3.12Å
370	Y	94.1	Very high	94.3	Very high	73 Å²	73	33.5 Å²	33.5	29%	0.286	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-58.6	-25.6	-176	84	-86.8	0	0	0	113.4	I333 K367 M368 G372 A373 F374	I333-Y370 HydrophobicContact CG1-CD2 4.43Å; K367-Y370 WeakPolarHBondContact O-CD1 3.35Å; K367-Y370 VanDerWaalsContact O-CE1 3.3Å; K367-Y370 WeakPolarHBondContact O-CE1 3.44Å; M368-Y370 VanDerWaalsContact C-N 3.27Å; M368-Y370 PolarHBondContact O-N 3.08Å; Y370-G372 PolarHBondContact O-N 2.83Å; Y370-A373 VanDerWaalsContact O-CB 3.28Å; Y370-A373 WeakPolarHBondContact O-CB 3.36Å; Y370-A373 PolarHBondContact O-N 2.96Å; Y370-F374 AromaticContact CD2-CE2 3.82Å; Y370-F374 HydrophobicContact CD2-CE2 3.82Å; Y370-F374 AromaticContact CE2-CE2 3.75Å; Y370-F374 HydrophobicContact CE2-CE2 3.75Å; Y370-F374 HydrophobicContact CE2-CZ 4.28Å
371	K	95.8	Very high	94.3	Very high	21 Å²	21	33.1 Å²	33.1	9%	0.091	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.4	-179.6	-64.4	168.4	-177.9	177.4	0	112.7	I72 M358 Y360 M368 R369 A373 F374	I72-K371 HydrophobicContact CD1-CB 4.15Å; I72-K371 HydrophobicContact CG2-CB 4.33Å; I72-K371 HydrophobicContact CG2-CD 4.4Å; M358-K371 HydrophobicContact CB-CB 4.44Å; M358-K371 HydrophobicContact CB-CD 4.03Å; M358-K371 HydrophobicContact CB-CG 4.27Å; M358-K371 HydrophobicContact CE-CB 4.22Å; M358-K371 HydrophobicContact CE-CG 4.13Å; M358-K371 VanDerWaalsContact O-CD 3.26Å; M358-K371 WeakPolarHBondContact O-CD 3.39Å; M358-K371 WeakPolarHBondContact O-CE 3.43Å; M358-K371 PolarHBondContact O-NZ 3.17Å; M358-K371 HydrophobicContact SD-CB 4.39Å; Y360-K371 VanDerWaalsContact O-CD 3.23Å; Y360-K371 WeakPolarHBondContact O-CD 3.23Å; Y360-K371 PolarHBondContact O-NZ 3.06Å; M368-K371 VanDerWaalsContact CE-NZ 3.33Å; M368-K371 PolarHBondContact O-N 2.81Å; R369-K371 PolarHBondContact O-N 3.02Å; K371-A373 PolarHBondContact O-N 3.27Å; K371-A373 VanDerWaalsContact O-N 3.13Å; K371-F374 WeakPolarHBondContact O-CD2 3.48Å; K371-F374 PolarHBondContact O-N 2.9Å; K371-F374 VanDerWaalsContact O-N 3.13Å
372	G	94.9	Very high	94.1	Very high	18 Å²	18	33.2 Å²	33.2	19%	0.186	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67.7	-8.4	174	0	0	0	0	0	114.7	R369 Y370 F374	R369-G372 PolarHBondContact O-N 2.68Å; R369-G372 VanDerWaalsContact O-N 3.12Å; Y370-G372 PolarHBondContact O-N 2.83Å; G372-F374 VanDerWaalsContact C-N 3.31Å
373	A	95.6	Very high	93.9	Very high	54 Å²	54	38 Å²	38	45%	0.446	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-83.5	-4.4	173.4	0	0	0	0	0	113.5	Q85 Y370 K371	Q85-A373 PolarHBondContact NE2-O 3.26Å; Y370-A373 VanDerWaalsContact O-CB 3.28Å; Y370-A373 WeakPolarHBondContact O-CB 3.36Å; Y370-A373 PolarHBondContact O-N 2.96Å; K371-A373 PolarHBondContact O-N 3.27Å; K371-A373 VanDerWaalsContact O-N 3.13Å
374	F	97.3	Very high	94	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	20%	0.195	C	C	.	.	S	Bend	trans	-91.4	109.4	175.4	-66.2	-103.3	0	0	0	109.1	F79 Q85 I333 A336 L337 I340 M358 Y370 K371 G372 S377	F79-F374 HydrophobicContact CD2-CB 4.5Å; F79-F374 HydrophobicContact CE2-CB 4.01Å; F79-F374 AromaticContact CE2-CD1 3.78Å; F79-F374 HydrophobicContact CE2-CD1 3.78Å; F79-F374 HydrophobicContact CE2-CG 4.28Å; F79-F374 HydrophobicContact CZ-CD1 4.02Å; Q85-F374 VanDerWaalsContact NE2-CD1 3.3Å; I333-F374 HydrophobicContact CG2-CZ 4.29Å; A336-F374 HydrophobicContact CB-CE1 3.55Å; A336-F374 HydrophobicContact CB-CZ 3.55Å; L337-F374 HydrophobicContact CD2-CE1 4.34Å; L337-F374 HydrophobicContact CG-CE1 4.46Å; I340-F374 HydrophobicContact CD1-CD1 3.71Å; I340-F374 HydrophobicContact CD1-CE1 4.28Å; M358-F374 HydrophobicContact CE-CB 4.05Å; M358-F374 HydrophobicContact CE-CD1 3.84Å; M358-F374 HydrophobicContact CE-CD2 3.31Å; M358-F374 HydrophobicContact CE-CE1 4.05Å; M358-F374 HydrophobicContact CE-CE2 3.55Å; M358-F374 HydrophobicContact CE-CG 3.46Å; M358-F374 VanDerWaalsContact CE-CG 3.46Å; M358-F374 HydrophobicContact CE-CZ 3.91Å; M358-F374 HydrophobicContact SD-CB 3.74Å; M358-F374 HydrophobicContact SD-CD1 4.48Å; M358-F374 HydrophobicContact SD-CD2 4.07Å; M358-F374 HydrophobicContact SD-CG 3.86Å; Y370-F374 AromaticContact CD2-CE2 3.82Å; Y370-F374 HydrophobicContact CD2-CE2 3.82Å; Y370-F374 AromaticContact CE2-CE2 3.75Å; Y370-F374 HydrophobicContact CE2-CE2 3.75Å; Y370-F374 HydrophobicContact CE2-CZ 4.28Å; K371-F374 WeakPolarHBondContact O-CD2 3.48Å; K371-F374 PolarHBondContact O-N 2.9Å; K371-F374 VanDerWaalsContact O-N 3.13Å; G372-F374 VanDerWaalsContact C-N 3.31Å; F374-S377 WeakPolarHBondContact O-CB 3.22Å; F374-S377 PolarHBondContact O-OG 3.33Å; F374-S377 VanDerWaalsContact O-OG 3.11Å
375	F	94.4	Very high	94.3	Very high	100 Å²	100	34.7 Å²	34.7	44%	0.439	18%	0.179	S	C	.	.	S	Bend	trans	-126	140.6	-166.6	179.6	-92.2	0	0	0	112	F79 K80	F79-F375 WeakPolarHBondContact CA-O 3.46Å; F79-F375 WeakPolarHBondContact CD2-O 3.42Å; K80-F375 PolarHBondContact N-O 3.17Å; K80-F375 VanDerWaalsContact N-O 3.16Å
376	P	97.7	Very high	94.5	Very high	30 Å²	30	35.6 Å²	35.6	20%	0.195	19%	0.187	C	C	.	.	S	Bend	cis	-74.8	145.8	-1.1	16	-8.2	0	0	0	113.5	H75 S78	H75-P376 HydrophobicContact CB-CB 4.39Å; H75-P376 HydrophobicContact CB-CG 3.95Å; H75-P376 PolarHBondContact N-O 3.12Å; S78-P376 VanDerWaalsContact O-CD 3.31Å; S78-P376 WeakPolarHBondContact O-CD 3.33Å
377	S	98.1	Very high	94.9	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.6	176.2	59.8	0	0	0	0	111.4	R73 F374 I390	R73-S377 CarbonylContact O-C 3.52Å; R73-S377 WeakPolarHBondContact O-CA 3.43Å; R73-S377 WeakPolarHBondContact O-CB 3.3Å; F374-S377 WeakPolarHBondContact O-CB 3.22Å; F374-S377 PolarHBondContact O-OG 3.33Å; F374-S377 VanDerWaalsContact O-OG 3.11Å; S377-I390 WeakPolarHBondContact O-CG2 3.34Å; S377-I390 PolarHBondContact O-N 2.9Å; S377-I390 WeakPolarHBondContact OG-CG2 3.16Å
378	D	98.4	Very high	95.3	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.7	177.6	-51.7	-28.3	0	0	0	110.6	I72 R73 H75 W387 F388	I72-D378 WeakPolarHBondContact CA-O 3.38Å; R73-D378 HydrophobicContact CG-CB 4.2Å; R73-D378 IonicContact CZ-OD2 3Å; R73-D378 PolarHBondContact N-O 3.38Å; R73-D378 VanDerWaalsContact N-O 3.12Å; R73-D378 IonicContact NE-OD2 2.82Å; R73-D378 PolarHBondContact NE-OD2 3.03Å; R73-D378 IonicContact NH2-OD2 3.06Å; R73-D378 PolarHBondContact NH2-OD2 2.8Å; R73-D378 PolarHBondContact O-N 3.16Å; H75-D378 IonicContact CD2-OD1 3.02Å; H75-D378 IonicContact CD2-OD2 3.5Å; H75-D378 IonicContact CE1-OD2 3.76Å; H75-D378 IonicContact NE2-OD1 3.63Å; H75-D378 PolarHBondContact NE2-OD1 2.91Å; H75-D378 IonicContact NE2-OD2 3.52Å; H75-D378 PolarHBondContact NE2-OD2 2.84Å; D378-W387 HydrophobicContact CB-CB 3.98Å; D378-W387 HydrophobicContact CB-CD2 4.48Å; D378-W387 HydrophobicContact CB-CE3 3.83Å; D378-F388 CarbonylContact C-O 3.59Å; D378-F388 WeakPolarHBondContact CA-O 3.49Å; D378-F388 WeakPolarHBondContact CB-O 3.4Å
379	L	97.8	Very high	95.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.5	160.4	-55.8	-172	0	0	0	110.2	Y70 V71 I72 Y361 F388 I390 C393 L397 F405	Y70-L379 HydrophobicContact CG-CD1 4.48Å; V71-L379 WeakPolarHBondContact O-CA 3.37Å; I72-L379 HydrophobicContact CB-CD2 3.65Å; I72-L379 HydrophobicContact CD1-CD2 4.1Å; I72-L379 HydrophobicContact CG1-CD2 3.86Å; Y361-L379 HydrophobicContact CD1-CD1 3.75Å; Y361-L379 HydrophobicContact CD1-CD2 4.19Å; Y361-L379 HydrophobicContact CE1-CD1 4.27Å; Y361-L379 HydrophobicContact CG-CD2 4.17Å; L379-F388 PolarHBondContact N-O 2.99Å; L379-F388 PolarHBondContact O-N 3.35Å; L379-I390 HydrophobicContact CD1-CG1 4.15Å; L379-I390 HydrophobicContact CD2-CD1 4.12Å; L379-I390 HydrophobicContact CD2-CG1 4.17Å; L379-I390 HydrophobicContact CG-CB 4.29Å; L379-I390 HydrophobicContact CG-CD1 4.45Å; L379-I390 HydrophobicContact CG-CG1 3.95Å; L379-C393 HydrophobicContact CB-CB 4.21Å; L379-C393 HydrophobicContact CD1-CB 3.68Å; L379-C393 HydrophobicContact CG-CB 4.11Å; L379-L397 HydrophobicContact CD1-CD1 3.96Å; L379-F405 HydrophobicContact CB-CD2 4.39Å; L379-F405 HydrophobicContact CB-CE2 3.89Å; L379-F405 HydrophobicContact CD1-CE2 4.36Å; L379-F405 HydrophobicContact CD1-CZ 4.29Å
380	L	97.3	Very high	95.6	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.3	173.3	-170.7	67.9	0	0	0	110.1	D47 V71 P382 F385 W387	D47-L380 WeakPolarHBondContact O-CD1 3.2Å; V71-L380 HydrophobicContact CB-CB 3.89Å; V71-L380 HydrophobicContact CB-CD2 4.25Å; V71-L380 HydrophobicContact CG2-CD2 4.24Å; V71-L380 PolarHBondContact O-N 3.46Å; L380-P382 WeakPolarHBondContact O-CD 3.37Å; L380-F385 VanDerWaalsContact CD1-C 3.46Å; L380-F385 HydrophobicContact CD1-CB 4.26Å; L380-F385 WeakPolarHBondContact CD1-O 3.45Å; L380-F385 HydrophobicContact CD2-CD1 4.26Å; L380-W387 HydrophobicContact CB-CD2 4.47Å; L380-W387 HydrophobicContact CB-CE3 3.97Å; L380-W387 HydrophobicContact CB-CH2 4.03Å; L380-W387 HydrophobicContact CB-CZ3 3.73Å; L380-W387 HydrophobicContact CD1-CD2 3.8Å; L380-W387 HydrophobicContact CD1-CE3 4.16Å; L380-W387 HydrophobicContact CD1-CG 4.29Å; L380-W387 HydrophobicContact CD1-CH2 4.2Å; L380-W387 HydrophobicContact CD1-CZ2 3.83Å; L380-W387 HydrophobicContact CD1-CZ3 4.35Å
381	C	94.5	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-64.7	119.3	168.6	-176.9	0	0	0	0	109.6	E383 T384 F385 A386 F388 F405	C381-E383 VanDerWaalsContact C-N 3.25Å; C381-E383 PolarHBondContact O-N 2.94Å; C381-T384 WeakPolarHBondContact CB-OG1 3.35Å; C381-T384 PolarHBondContact SG-OG1 3.42Å; C381-F385 WeakPolarHBondContact O-CA 3.3Å; C381-F385 PolarHBondContact O-N 3.2Å; C381-A386 VanDerWaalsContact CB-O 3.26Å; C381-A386 WeakPolarHBondContact CB-O 3.47Å; C381-A386 PolarHBondContact N-O 3.24Å; C381-F388 HydrophobicContact CB-CD2 3.97Å; C381-F388 HydrophobicContact CB-CE2 3.79Å; C381-F405 HydrophobicContact CB-CB 4.3Å; C381-F405 HydrophobicContact CB-CD2 4.36Å; C381-F405 PolarHBondContact SG-N 2.99Å
382	P	92	Very high	95.4	Very high	22 Å²	22	34.4 Å²	34.4	14%	0.143	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.2	-174.4	-23.8	33.1	0	0	0	114.7	L62 Y70 L380 F385 C403	L62-P382 HydrophobicContact CD1-CB 3.6Å; L62-P382 HydrophobicContact CD1-CG 3.24Å; Y70-P382 HydrophobicContact CD1-CG 4.05Å; Y70-P382 HydrophobicContact CE1-CG 3.83Å; L380-P382 WeakPolarHBondContact O-CD 3.37Å; P382-F385 WeakPolarHBondContact O-CE1 3.39Å; P382-C403 WeakPolarHBondContact CB-O 3.37Å; P382-C403 WeakPolarHBondContact CD-O 3.42Å
383	E	90.7	Very high	95.3	Very high	101 Å²	101	33.5 Å²	33.5	47%	0.472	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-43.8	-177.2	-166.7	-170.8	157.6	0	0	112.9	C381 C403 R404	C381-E383 VanDerWaalsContact C-N 3.25Å; C381-E383 PolarHBondContact O-N 2.94Å; E383-C403 PolarHBondContact N-O 3.02Å; E383-R404 IonicContact OE1-NH1 3.83Å; E383-R404 PolarHBondContact OE1-NH1 3.41Å; E383-R404 WeakPolarHBondContact OE2-CB 3.45Å; E383-R404 WeakPolarHBondContact OE2-CD 3.19Å; E383-R404 VanDerWaalsContact OE2-CG 3.31Å; E383-R404 WeakPolarHBondContact OE2-CG 3.35Å; E383-R404 IonicContact OE2-CZ 2.94Å; E383-R404 IonicContact OE2-NE 2.82Å; E383-R404 IonicContact OE2-NH1 3.92Å; E383-R404 PolarHBondContact OE2-NH1 3.39Å
384	T	93.1	Very high	95.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-13.7	-172	66.9	0	0	0	0	114.5	C381 A386 A406 V410 T413	C381-T384 WeakPolarHBondContact CB-OG1 3.35Å; C381-T384 PolarHBondContact SG-OG1 3.42Å; T384-A386 PolarHBondContact O-N 3.05Å; T384-A386 PolarHBondContact OG1-N 3.32Å; T384-A406 HydrophobicContact CG2-CB 3.82Å; T384-A406 WeakPolarHBondContact OG1-CB 3.48Å; T384-V410 WeakPolarHBondContact CG2-O 3.38Å; T384-T413 PolarHBondContact O-N 2.74Å; T384-T413 PolarHBondContact O-OG1 2.66Å
385	F	94.4	Very high	94.6	Very high	38 Å²	38	42.8 Å²	42.8	17%	0.167	21%	0.208	C	C	.	.			trans	58.8	18.9	-172.3	-46.2	-63.7	0	0	0	114.6	R48 L380 C381 P382	R48-F385 HydrophobicContact CB-CD1 4.05Å; R48-F385 HydrophobicContact CB-CE1 4.2Å; R48-F385 HydrophobicContact CB-CG 4.28Å; R48-F385 HydrophobicContact CG-CB 4.33Å; R48-F385 HydrophobicContact CG-CD1 4.26Å; R48-F385 HydrophobicContact CG-CD2 4.15Å; R48-F385 HydrophobicContact CG-CG 3.98Å; R48-F385 WeakPolarHBondContact O-CE1 3.32Å; L380-F385 VanDerWaalsContact CD1-C 3.46Å; L380-F385 HydrophobicContact CD1-CB 4.26Å; L380-F385 WeakPolarHBondContact CD1-O 3.45Å; L380-F385 HydrophobicContact CD2-CD1 4.26Å; C381-F385 WeakPolarHBondContact O-CA 3.3Å; C381-F385 PolarHBondContact O-N 3.2Å; P382-F385 WeakPolarHBondContact O-CE1 3.39Å
386	A	95.4	Very high	94.4	Very high	26 Å²	26	42.7 Å²	42.7	22%	0.215	21%	0.21	C	C	.	.			trans	-83.7	148.5	169.3	0	0	0	0	0	111	C381 T384 F388 V410	C381-A386 VanDerWaalsContact CB-O 3.26Å; C381-A386 WeakPolarHBondContact CB-O 3.47Å; C381-A386 PolarHBondContact N-O 3.24Å; T384-A386 PolarHBondContact O-N 3.05Å; T384-A386 PolarHBondContact OG1-N 3.32Å; A386-F388 HydrophobicContact CB-CE2 3.62Å; A386-F388 HydrophobicContact CB-CZ 4.03Å; A386-F388 WeakPolarHBondContact O-CD2 3.4Å; A386-V410 HydrophobicContact CB-CG1 4.31Å
387	W	97.1	Very high	93.8	Very high	50 Å²	50	41.6 Å²	41.6	19%	0.189	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.9	-178.7	-65.7	95.7	0	0	0	111.1	V71 R73 Y357 D378 L380	V71-W387 HydrophobicContact CG1-CH2 3.79Å; V71-W387 HydrophobicContact CG1-CZ3 4.26Å; R73-W387 HydrophobicContact CB-CH2 4.18Å; R73-W387 HydrophobicContact CB-CZ3 4.06Å; R73-W387 HydrophobicContact CG-CD2 4.32Å; R73-W387 HydrophobicContact CG-CE3 3.79Å; R73-W387 HydrophobicContact CG-CH2 4.04Å; R73-W387 HydrophobicContact CG-CZ3 3.63Å; R73-W387 VanDerWaalsContact CZ-CD2 3.45Å; R73-W387 VanDerWaalsContact NH1-CD1 3.32Å; R73-W387 VanDerWaalsContact NH1-NE1 3.17Å; R73-W387 VanDerWaalsContact NH2-CG 3.25Å; Y357-W387 HydrophobicContact CD1-CH2 4.32Å; Y357-W387 AromaticContact CE1-CH2 3.59Å; Y357-W387 HydrophobicContact CE1-CH2 3.59Å; Y357-W387 AromaticContact CE1-CZ2 3.65Å; Y357-W387 HydrophobicContact CE1-CZ2 3.65Å; Y357-W387 AromaticContact CZ-CH2 3.97Å; Y357-W387 AromaticContact CZ-CZ2 3.75Å; Y357-W387 VanDerWaalsContact OH-CZ2 3.32Å; Y357-W387 WeakPolarHBondContact OH-CZ2 3.41Å; D378-W387 HydrophobicContact CB-CB 3.98Å; D378-W387 HydrophobicContact CB-CD2 4.48Å; D378-W387 HydrophobicContact CB-CE3 3.83Å; L380-W387 HydrophobicContact CB-CD2 4.47Å; L380-W387 HydrophobicContact CB-CE3 3.97Å; L380-W387 HydrophobicContact CB-CH2 4.03Å; L380-W387 HydrophobicContact CB-CZ3 3.73Å; L380-W387 HydrophobicContact CD1-CD2 3.8Å; L380-W387 HydrophobicContact CD1-CE3 4.16Å; L380-W387 HydrophobicContact CD1-CG 4.29Å; L380-W387 HydrophobicContact CD1-CH2 4.2Å; L380-W387 HydrophobicContact CD1-CZ2 3.83Å; L380-W387 HydrophobicContact CD1-CZ3 4.35Å
388	F	96.5	Very high	92.6	Very high	39 Å²	39	44.4 Å²	44.4	17%	0.171	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.8	-179.6	-68	-87.1	0	0	0	111.2	D378 L379 C381 A386 I390 C393 F405 A406	D378-F388 CarbonylContact C-O 3.59Å; D378-F388 WeakPolarHBondContact CA-O 3.49Å; D378-F388 WeakPolarHBondContact CB-O 3.4Å; L379-F388 PolarHBondContact N-O 2.99Å; L379-F388 PolarHBondContact O-N 3.35Å; C381-F388 HydrophobicContact CB-CD2 3.97Å; C381-F388 HydrophobicContact CB-CE2 3.79Å; A386-F388 HydrophobicContact CB-CE2 3.62Å; A386-F388 HydrophobicContact CB-CZ 4.03Å; A386-F388 WeakPolarHBondContact O-CD2 3.4Å; F388-I390 PolarHBondContact O-N 2.84Å; F388-C393 WeakPolarHBondContact CB-SG 3.39Å; F388-F405 HydrophobicContact CB-CB 4.29Å; F388-F405 HydrophobicContact CD2-CB 3.73Å; F388-F405 HydrophobicContact CE2-CB 4.32Å; F388-F405 HydrophobicContact CG-CB 4.02Å; F388-A406 HydrophobicContact CE1-CB 4.48Å; F388-A406 HydrophobicContact CE2-CB 3.58Å; F388-A406 HydrophobicContact CZ-CB 3.42Å; F388-A406 VanDerWaalsContact CZ-CB 3.42Å
389	P	96.9	Very high	90.9	Very high	56 Å²	56	53.4 Å²	53.4	36%	0.364	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	133	178.1	-25.9	34.7	0	0	0	111.8	Q391 D392 C393	P389-Q391 PolarHBondContact O-N 2.78Å; P389-D392 PolarHBondContact O-N 2.87Å; P389-C393 PolarHBondContact O-N 3.37Å; P389-C393 PolarHBondContact O-SG 2.79Å; P389-C393 VanDerWaalsContact O-SG 3.37Å
390	I	95.5	Very high	89.5	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-56.9	-31.8	-175	-171.4	171.7	0	0	0	112.8	I72 Y361 S377 L379 F388 D392 C393 V394	I72-I390 HydrophobicContact CD1-CD1 3.86Å; Y361-I390 HydrophobicContact CD2-CD1 4.06Å; Y361-I390 HydrophobicContact CE2-CD1 4.08Å; Y361-I390 HydrophobicContact CG-CD1 4.3Å; S377-I390 WeakPolarHBondContact O-CG2 3.34Å; S377-I390 PolarHBondContact O-N 2.9Å; S377-I390 WeakPolarHBondContact OG-CG2 3.16Å; L379-I390 HydrophobicContact CD1-CG1 4.15Å; L379-I390 HydrophobicContact CD2-CD1 4.12Å; L379-I390 HydrophobicContact CD2-CG1 4.17Å; L379-I390 HydrophobicContact CG-CB 4.29Å; L379-I390 HydrophobicContact CG-CD1 4.45Å; L379-I390 HydrophobicContact CG-CG1 3.95Å; F388-I390 PolarHBondContact O-N 2.84Å; I390-D392 VanDerWaalsContact C-N 3.29Å; I390-D392 PolarHBondContact O-N 3.11Å; I390-C393 PolarHBondContact O-N 3.13Å; I390-V394 HydrophobicContact CD1-CG2 4.46Å; I390-V394 HydrophobicContact CG1-CG2 3.77Å; I390-V394 WeakPolarHBondContact O-CB 3.18Å; I390-V394 VanDerWaalsContact O-CG2 3.24Å; I390-V394 WeakPolarHBondContact O-CG2 3.48Å; I390-V394 PolarHBondContact O-N 3.42Å
391	Q	92.5	Very high	88.4	Confident	91 Å²	91	66.7 Å²	66.7	43%	0.425	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-39.7	179.3	-71.9	67.3	32	0	0	111.6	P389 R395	P389-Q391 PolarHBondContact O-N 2.78Å; Q391-R395 PolarHBondContact O-N 3.25Å
392	D	92.8	Very high	87.6	Confident	68 Å²	68	67.6 Å²	67.6	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-72.6	-43.5	177.2	-67	-41.9	0	0	0	110.8	P389 I390 V394 R395 M396	P389-D392 PolarHBondContact O-N 2.87Å; I390-D392 VanDerWaalsContact C-N 3.29Å; I390-D392 PolarHBondContact O-N 3.11Å; D392-V394 PolarHBondContact O-N 2.84Å; D392-R395 WeakPolarHBondContact O-CB 3.42Å; D392-R395 PolarHBondContact O-N 3.36Å; D392-R395 IonicContact OD1-CZ 2.69Å; D392-R395 IonicContact OD1-NH2 2.71Å; D392-R395 PolarHBondContact OD1-NH2 3.48Å; D392-M396 WeakPolarHBondContact O-CG 3.4Å; D392-M396 PolarHBondContact O-N 2.86Å
393	C	94.2	Very high	87.1	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-44.1	178.1	-55.9	0	0	0	0	112.2	L379 F388 P389 I390 R395 M396 L397 F405	L379-C393 HydrophobicContact CB-CB 4.21Å; L379-C393 HydrophobicContact CD1-CB 3.68Å; L379-C393 HydrophobicContact CG-CB 4.11Å; F388-C393 WeakPolarHBondContact CB-SG 3.39Å; P389-C393 PolarHBondContact O-N 3.37Å; P389-C393 PolarHBondContact O-SG 2.79Å; P389-C393 VanDerWaalsContact O-SG 3.37Å; I390-C393 PolarHBondContact O-N 3.13Å; C393-R395 VanDerWaalsContact C-N 3.27Å; C393-R395 PolarHBondContact O-N 2.66Å; C393-M396 CarbonylContact O-C 3.59Å; C393-M396 WeakPolarHBondContact O-CA 3.39Å; C393-M396 WeakPolarHBondContact O-CB 3.44Å; C393-M396 PolarHBondContact O-N 2.91Å; C393-L397 VanDerWaalsContact O-CG 3.24Å; C393-L397 WeakPolarHBondContact O-CG 3.41Å; C393-L397 PolarHBondContact O-N 3.05Å; C393-F405 HydrophobicContact CB-CD1 3.94Å; C393-F405 HydrophobicContact CB-CD2 4.3Å; C393-F405 HydrophobicContact CB-CE1 3.84Å; C393-F405 HydrophobicContact CB-CE2 4.21Å; C393-F405 HydrophobicContact CB-CG 4.19Å; C393-F405 HydrophobicContact CB-CZ 3.99Å
394	V	90.8	Very high	87	Confident	62 Å²	62	66.3 Å²	66.3	38%	0.376	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-35.9	180	168.1	0	0	0	0	111.5	Y361 I390 D392 M396 L397 G398	Y361-V394 HydrophobicContact CE1-CG2 4Å; Y361-V394 WeakPolarHBondContact OH-CG2 3.27Å; I390-V394 HydrophobicContact CD1-CG2 4.46Å; I390-V394 HydrophobicContact CG1-CG2 3.77Å; I390-V394 WeakPolarHBondContact O-CB 3.18Å; I390-V394 VanDerWaalsContact O-CG2 3.24Å; I390-V394 WeakPolarHBondContact O-CG2 3.48Å; I390-V394 PolarHBondContact O-N 3.42Å; D392-V394 PolarHBondContact O-N 2.84Å; V394-M396 VanDerWaalsContact C-N 3.29Å; V394-M396 PolarHBondContact O-N 3.02Å; V394-L397 PolarHBondContact O-N 3.43Å; V394-G398 PolarHBondContact O-N 3.18Å
395	R	87.6	Confident	86.9	Confident	189 Å²	189	66.7 Å²	66.7	71%	0.713	33%	0.332	S	S	*	.	H	α-helix	trans	-63.1	-35.9	173.4	174	172.5	50.7	144.9	-5.4	112.1	Q391 D392 C393	Q391-R395 PolarHBondContact O-N 3.25Å; D392-R395 WeakPolarHBondContact O-CB 3.42Å; D392-R395 PolarHBondContact O-N 3.36Å; D392-R395 IonicContact OD1-CZ 2.69Å; D392-R395 IonicContact OD1-NH2 2.71Å; D392-R395 PolarHBondContact OD1-NH2 3.48Å; C393-R395 VanDerWaalsContact C-N 3.27Å; C393-R395 PolarHBondContact O-N 2.66Å
396	M	88.6	Confident	86.7	Confident	97 Å²	97	65.2 Å²	65.2	48%	0.478	33%	0.327	S	S	.	.	H	α-helix	trans	-77.3	-31.9	175.9	-61.1	175.1	74.3	0	0	113.1	D392 C393 V394 G398 R404 F405	D392-M396 WeakPolarHBondContact O-CG 3.4Å; D392-M396 PolarHBondContact O-N 2.86Å; C393-M396 CarbonylContact O-C 3.59Å; C393-M396 WeakPolarHBondContact O-CA 3.39Å; C393-M396 WeakPolarHBondContact O-CB 3.44Å; C393-M396 PolarHBondContact O-N 2.91Å; V394-M396 VanDerWaalsContact C-N 3.29Å; V394-M396 PolarHBondContact O-N 3.02Å; M396-G398 VanDerWaalsContact C-N 3.33Å; M396-G398 PolarHBondContact O-N 3.14Å; M396-R404 WeakPolarHBondContact CE-O 3.47Å; M396-F405 HydrophobicContact CB-CD1 4.46Å; M396-F405 HydrophobicContact SD-CB 4.36Å; M396-F405 HydrophobicContact SD-CD1 4.06Å
397	L	86.8	Confident	86.2	Confident	7 Å²	7	66.9 Å²	66.9	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-69.4	-28.6	-175.3	-75.3	166.3	0	0	0	113.1	Y70 Y361 P363 L379 C393 V394 E399 R400 C402 F405	Y70-L397 HydrophobicContact CD2-CD1 4.29Å; Y70-L397 HydrophobicContact CD2-CD2 4.24Å; Y70-L397 HydrophobicContact CE1-CD2 4.05Å; Y70-L397 HydrophobicContact CE2-CD1 4.21Å; Y70-L397 HydrophobicContact CE2-CD2 3.39Å; Y70-L397 HydrophobicContact CE2-CG 4.48Å; Y70-L397 VanDerWaalsContact OH-CD2 3.23Å; Y70-L397 WeakPolarHBondContact OH-CD2 3.19Å; Y361-L397 HydrophobicContact CE1-CD1 4.25Å; P363-L397 HydrophobicContact CG-CD1 3.95Å; L379-L397 HydrophobicContact CD1-CD1 3.96Å; C393-L397 VanDerWaalsContact O-CG 3.24Å; C393-L397 WeakPolarHBondContact O-CG 3.41Å; C393-L397 PolarHBondContact O-N 3.05Å; V394-L397 PolarHBondContact O-N 3.43Å; L397-E399 PolarHBondContact O-N 3.2Å; L397-E399 VanDerWaalsContact O-N 3.1Å; L397-R400 PolarHBondContact O-N 3.43Å; L397-C402 HydrophobicContact CD2-CB 3.58Å; L397-C402 HydrophobicContact CG-CB 4.36Å; L397-F405 HydrophobicContact CD1-CE1 4.18Å; L397-F405 HydrophobicContact CD1-CZ 4.01Å; L397-F405 HydrophobicContact CD2-CE1 3.84Å; L397-F405 HydrophobicContact CD2-CZ 3.92Å; L397-F405 HydrophobicContact CG-CE1 3.79Å; L397-F405 HydrophobicContact CG-CZ 4.06Å
398	G	71.5	Confident	85.5	Confident	60 Å²	60	72.9 Å²	72.9	62%	0.619	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.3	-122	178	0	0	0	0	0	112.4	V394 M396	V394-G398 PolarHBondContact O-N 3.18Å; M396-G398 VanDerWaalsContact C-N 3.33Å; M396-G398 PolarHBondContact O-N 3.14Å
399	E	63.1	Low	84.8	Confident	205 Å²	205	78.8 Å²	78.8	96%	0.958	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	6	170.5	-63.2	-178.8	170.6	0	0	113.7	L397	L397-E399 PolarHBondContact O-N 3.2Å; L397-E399 VanDerWaalsContact O-N 3.1Å
400	R	67.6	Low	83.9	Confident	219 Å²	219	78.5 Å²	78.5	83%	0.826	39%	0.391	S	S	*	.	S	Bend	trans	-117.9	154.1	-173.4	-66	-173.9	179.9	-166.2	-0.6	111.8	L397 C402	L397-R400 PolarHBondContact O-N 3.43Å; R400-C402 PolarHBondContact O-N 3.32Å
401	T	74.5	Confident	83	Confident	66 Å²	66	83.7 Å²	83.7	41%	0.405	42%	0.423	S	S	.	.			trans	-63.1	121.4	170.2	-51.7	0	0	0	0	109.4	L62 P68	L62-T401 HydrophobicContact CB-CG2 4.3Å; P68-T401 HydrophobicContact CB-CG2 4.02Å; P68-T401 HydrophobicContact CG-CG2 3.63Å; P68-T401 VanDerWaalsContact CG-OG1 3.25Å; P68-T401 WeakPolarHBondContact CG-OG1 3.3Å
402	C	78.5	Confident	81.8	Confident	19 Å²	19	80.8 Å²	80.8	13%	0.128	42%	0.415	C	S	.	.			trans	-99.4	121.8	168.7	-176.3	0	0	0	0	108.9	Y70 L397 R400 R404 F405	Y70-C402 WeakPolarHBondContact CE1-O 3.31Å; Y70-C402 PolarHBondContact OH-N 2.9Å; Y70-C402 PolarHBondContact OH-O 3.25Å; L397-C402 HydrophobicContact CD2-CB 3.58Å; L397-C402 HydrophobicContact CG-CB 4.36Å; R400-C402 PolarHBondContact O-N 3.32Å; C402-R404 PolarHBondContact SG-O 2.85Å; C402-F405 HydrophobicContact CB-CD1 4.38Å; C402-F405 HydrophobicContact CB-CE1 3.8Å
403	C	80.5	Confident	80.3	Confident	42 Å²	42	81.4 Å²	81.4	28%	0.284	42%	0.421	S	S	.	.	S	Bend	trans	-94.7	-11.6	-179.4	-51.9	0	0	0	0	112.1	E63 P382 E383	E63-C403 PolarHBondContact OE1-SG 2.88Å; E63-C403 VanDerWaalsContact OE1-SG 3.33Å; P382-C403 WeakPolarHBondContact CB-O 3.37Å; P382-C403 WeakPolarHBondContact CD-O 3.42Å; E383-C403 PolarHBondContact N-O 3.02Å
404	R	89.7	Confident	78.5	Confident	54 Å²	54	89.3 Å²	89.3	20%	0.204	46%	0.456	C	S	.	.			trans	-144.1	110.5	-176.5	-167.2	-172.9	-179.2	92.8	-0.6	111.9	E383 M396 C402 A406 P407 V410	E383-R404 IonicContact OE1-NH1 3.83Å; E383-R404 PolarHBondContact OE1-NH1 3.41Å; E383-R404 WeakPolarHBondContact OE2-CB 3.45Å; E383-R404 WeakPolarHBondContact OE2-CD 3.19Å; E383-R404 VanDerWaalsContact OE2-CG 3.31Å; E383-R404 WeakPolarHBondContact OE2-CG 3.35Å; E383-R404 IonicContact OE2-CZ 2.94Å; E383-R404 IonicContact OE2-NE 2.82Å; E383-R404 IonicContact OE2-NH1 3.92Å; E383-R404 PolarHBondContact OE2-NH1 3.39Å; M396-R404 WeakPolarHBondContact CE-O 3.47Å; C402-R404 PolarHBondContact SG-O 2.85Å; R404-A406 HydrophobicContact CG-CB 4.44Å; R404-A406 PolarHBondContact NE-O 2.85Å; R404-A406 VanDerWaalsContact NE-O 3.09Å; R404-P407 PolarHBondContact NH2-O 2.79Å; R404-V410 PolarHBondContact NH2-O 2.85Å
405	F	91.1	Very high	76.4	Confident	8 Å²	8	88.2 Å²	88.2	4%	0.035	46%	0.457	C	S	.	.			trans	-86.2	-22.2	169.7	-57.9	-47.4	0	0	0	112.8	Y70 L379 C381 F388 C393 M396 L397 C402	Y70-F405 AromaticContact CD1-CE2 3.67Å; Y70-F405 HydrophobicContact CD1-CE2 3.67Å; Y70-F405 AromaticContact CD1-CZ 3.53Å; Y70-F405 HydrophobicContact CD1-CZ 3.53Å; Y70-F405 HydrophobicContact CE1-CE1 4.46Å; Y70-F405 AromaticContact CE1-CE2 3.99Å; Y70-F405 HydrophobicContact CE1-CE2 3.99Å; Y70-F405 AromaticContact CE1-CZ 3.51Å; Y70-F405 HydrophobicContact CE1-CZ 3.51Å; Y70-F405 HydrophobicContact CG-CE2 4.49Å; Y70-F405 HydrophobicContact CG-CZ 4.24Å; L379-F405 HydrophobicContact CB-CD2 4.39Å; L379-F405 HydrophobicContact CB-CE2 3.89Å; L379-F405 HydrophobicContact CD1-CE2 4.36Å; L379-F405 HydrophobicContact CD1-CZ 4.29Å; C381-F405 HydrophobicContact CB-CB 4.3Å; C381-F405 HydrophobicContact CB-CD2 4.36Å; C381-F405 PolarHBondContact SG-N 2.99Å; F388-F405 HydrophobicContact CB-CB 4.29Å; F388-F405 HydrophobicContact CD2-CB 3.73Å; F388-F405 HydrophobicContact CE2-CB 4.32Å; F388-F405 HydrophobicContact CG-CB 4.02Å; C393-F405 HydrophobicContact CB-CD1 3.94Å; C393-F405 HydrophobicContact CB-CD2 4.3Å; C393-F405 HydrophobicContact CB-CE1 3.84Å; C393-F405 HydrophobicContact CB-CE2 4.21Å; C393-F405 HydrophobicContact CB-CG 4.19Å; C393-F405 HydrophobicContact CB-CZ 3.99Å; M396-F405 HydrophobicContact CB-CD1 4.46Å; M396-F405 HydrophobicContact SD-CB 4.36Å; M396-F405 HydrophobicContact SD-CD1 4.06Å; L397-F405 HydrophobicContact CD1-CE1 4.18Å; L397-F405 HydrophobicContact CD1-CZ 4.01Å; L397-F405 HydrophobicContact CD2-CE1 3.84Å; L397-F405 HydrophobicContact CD2-CZ 3.92Å; L397-F405 HydrophobicContact CG-CE1 3.79Å; L397-F405 HydrophobicContact CG-CZ 4.06Å; C402-F405 HydrophobicContact CB-CD1 4.38Å; C402-F405 HydrophobicContact CB-CE1 3.8Å
406	A	89.6	Confident	74.1	Confident	8 Å²	8	85 Å²	85	7%	0.066	46%	0.463	C	S	.	.	S	Bend	trans	-75.8	141.4	-174.2	0	0	0	0	0	112.2	T384 F388 R404 V410	T384-A406 HydrophobicContact CG2-CB 3.82Å; T384-A406 WeakPolarHBondContact OG1-CB 3.48Å; F388-A406 HydrophobicContact CE1-CB 4.48Å; F388-A406 HydrophobicContact CE2-CB 3.58Å; F388-A406 HydrophobicContact CZ-CB 3.42Å; F388-A406 VanDerWaalsContact CZ-CB 3.42Å; R404-A406 HydrophobicContact CG-CB 4.44Å; R404-A406 PolarHBondContact NE-O 2.85Å; R404-A406 VanDerWaalsContact NE-O 3.09Å; A406-V410 HydrophobicContact CB-CB 3.94Å; A406-V410 HydrophobicContact CB-CG1 4.06Å
407	P	85.6	Confident	71.7	Confident	60 Å²	60	86.7 Å²	86.7	39%	0.39	47%	0.474	S	S	.	.			trans	-52.5	160.8	166.5	-24.9	34.1	0	0	0	112.3	R404 E409 V410	R404-P407 PolarHBondContact NH2-O 2.79Å; P407-E409 PolarHBondContact O-N 2.95Å; P407-V410 PolarHBondContact O-N 2.8Å
408	H	81.3	Confident	69	Low	176 Å²	176	98.1 Å²	98.1	82%	0.815	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.5	-179.7	-73.9	-72.4	0	0	0	112.5	V410	H408-V410 VanDerWaalsContact C-N 3.27Å; H408-V410 PolarHBondContact O-N 3.13Å
409	E	81.1	Confident	67	Low	164 Å²	164	102.8 Å²	102.8	77%	0.766	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.9	179.5	-47.1	103.7	-133.6	0	0	113.8	P407 T411	P407-E409 PolarHBondContact O-N 2.95Å; E409-T411 PolarHBondContact O-N 2.62Å
410	V	79.2	Confident	65.5	Low	50 Å²	50	102.4 Å²	102.4	30%	0.303	52%	0.518	S	S	.	.			trans	-83	102.5	-176.4	179.2	0	0	0	0	109.5	T384 A386 R404 A406 P407 H408	T384-V410 WeakPolarHBondContact CG2-O 3.38Å; A386-V410 HydrophobicContact CB-CG1 4.31Å; R404-V410 PolarHBondContact NH2-O 2.85Å; A406-V410 HydrophobicContact CB-CB 3.94Å; A406-V410 HydrophobicContact CB-CG1 4.06Å; P407-V410 PolarHBondContact O-N 2.8Å; H408-V410 VanDerWaalsContact C-N 3.27Å; H408-V410 PolarHBondContact O-N 3.13Å
411	T	75.4	Confident	65.4	Low	113 Å²	113	96.6 Å²	96.6	69%	0.693	50%	0.502	S	S	*	.			trans	-75.4	160	174.6	55.6	0	0	0	0	111.6	E409 T413	E409-T411 PolarHBondContact O-N 2.62Å; T411-T413 PolarHBondContact O-N 3.01Å
412	A	68.4	Low	64.9	Low	30 Å²	30	98.2 Å²	98.2	25%	0.248	51%	0.507	C	S	.	.			trans	-62.3	128.6	175.8	0	0	0	0	0	110.2	F414	A412-F414 HydrophobicContact CB-CD2 3.97Å; A412-F414 HydrophobicContact CB-CE2 3.56Å; A412-F414 HydrophobicContact CB-CZ 4.14Å; A412-F414 PolarHBondContact O-N 3.3Å
413	T	61.4	Low	64.2	Low	80 Å²	80	102.6 Å²	102.6	49%	0.491	53%	0.528	S	S	.	.			trans	-78.1	74.1	174.6	51.3	0	0	0	0	109.9	R48 T384 T411 G415	R48-T413 PolarHBondContact NH2-O 3.03Å; T384-T413 PolarHBondContact O-N 2.74Å; T384-T413 PolarHBondContact O-OG1 2.66Å; T411-T413 PolarHBondContact O-N 3.01Å; T413-G415 VanDerWaalsContact C-N 3.25Å; T413-G415 PolarHBondContact O-N 2.82Å
414	F	55.2	Low	63.2	Low	167 Å²	167	106.1 Å²	106.1	73%	0.732	54%	0.543	S	S	*	.			trans	-68.2	98.1	152.9	-57.9	-75	0	0	0	104.7	A412 S416	A412-F414 HydrophobicContact CB-CD2 3.97Å; A412-F414 HydrophobicContact CB-CE2 3.56Å; A412-F414 HydrophobicContact CB-CZ 4.14Å; A412-F414 PolarHBondContact O-N 3.3Å; F414-S416 PolarHBondContact O-N 3.48Å
415	G	47	Very low	61.6	Low	39 Å²	39	109.4 Å²	109.4	40%	0.402	56%	0.564	S	S	.	*			trans	-48	138.5	171.7	0	0	0	0	0	107.5	T413 N417	T413-G415 VanDerWaalsContact C-N 3.25Å; T413-G415 PolarHBondContact O-N 2.82Å; G415-N417 CarbonylContact O-C 3.47Å; G415-N417 PolarHBondContact O-N 2.73Å
416	S	39.1	Very low	59.6	Low	121 Å²	121	116.1 Å²	116.1	85%	0.846	60%	0.599	S	S	*	*	S	Bend	trans	-52.6	-6.7	-177.8	45.1	0	0	0	0	114.7	F414 R418	F414-S416 PolarHBondContact O-N 3.48Å; S416-R418 PolarHBondContact O-N 2.87Å
417	N	38.4	Very low	57.4	Low	132 Å²	132	123.9 Å²	123.9	71%	0.706	64%	0.637	S	S	*	*			trans	-84.3	90.5	168.6	-68.9	-32.5	0	0	0	111.4	G415 H419	G415-N417 CarbonylContact O-C 3.47Å; G415-N417 PolarHBondContact O-N 2.73Å; N417-H419 PolarHBondContact O-N 3.33Å
418	R	30.3	Very low	55.3	Low	247 Å²	247	128.8 Å²	128.8	93%	0.932	66%	0.656	S	S	*	*			trans	-68.3	40.5	164.6	-67.7	-174	-179.3	-174.1	1.1	113	S416	S416-R418 PolarHBondContact O-N 2.87Å
419	H	29.2	Very low	53.1	Low	159 Å²	159	124.8 Å²	124.8	74%	0.736	64%	0.643	S	S	*	*			trans	-115.4	65.6	175.9	-67	-56.6	0	0	0	109.7	N417	N417-H419 PolarHBondContact O-N 3.33Å
420	F	32.7	Very low	50.6	Low	196 Å²	196	121.3 Å²	121.3	86%	0.86	63%	0.632	S	S	*	*			trans	-153.2	0	154.7	-92.8	-70.8	0	0	0	109.6	D41 K44	D41-F420 HydrophobicContact CB-CZ 4.39Å; K44-F420 HydrophobicContact CD-CE2 4.47Å

Retrieved 420 of 420 residues in 473.9 ms (Link to these results)

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