A0A077Z3X0_TRITR Loading...

Glyco hydro 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3X0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 457 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	84.9	Confident	96.1	Very high	85 Å²	85	60.7 Å²	60.7	42%	0.419	32%	0.317	S	S	.	.				0	151.9	0	-70.5	-177.2	-64	0	0	108.1	V377 N380 L449 K451	M1-V377 HydrophobicContact CE-CG2 4.11Å; M1-V377 HydrophobicContact SD-CB 4.24Å; M1-V377 HydrophobicContact SD-CG1 3.93Å; M1-V377 HydrophobicContact SD-CG2 3.8Å; M1-N380 WeakPolarHBondContact CB-OD1 3.24Å; M1-L449 HydrophobicContact CE-CB 3.63Å; M1-L449 WeakPolarHBondContact CE-O 3.26Å; M1-K451 HydrophobicContact CE-CB 3.92Å; M1-K451 HydrophobicContact CG-CB 4.37Å; M1-K451 HydrophobicContact CG-CD 4.25Å; M1-K451 HydrophobicContact SD-CB 3.91Å; M1-K451 HydrophobicContact SD-CD 4.47Å
2	K	90.6	Very high	96.3	Very high	174 Å²	174	55.7 Å²	55.7	76%	0.757	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-91.5	154.7	173.3	-68.2	-179.1	-179.1	175.4	0	108.9	N380	K2-N380 PolarHBondContact O-ND2 3.45Å
3	A	96.6	Very high	96.5	Very high	37 Å²	37	51.4 Å²	51.4	31%	0.306	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-58.6	143.6	167.6	0	0	0	0	0	109.6	R445 L447	A3-R445 WeakPolarHBondContact CA-O 3.45Å; A3-R445 HydrophobicContact CB-CB 4.2Å; A3-L447 HydrophobicContact CB-CD1 4.13Å; A3-L447 HydrophobicContact CB-CD2 4.05Å; A3-L447 HydrophobicContact CB-CG 3.91Å
4	F	98.4	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-60.7	155.2	170.2	-79	-111.4	0	0	0	110.3	F8 W10 V379 N380 I383 R445 L449	F4-F8 HydrophobicContact CB-CB 4.27Å; F4-F8 HydrophobicContact CB-CG 4.25Å; F4-F8 HydrophobicContact CD1-CD1 4.04Å; F4-F8 AromaticContact CD1-CD2 3.76Å; F4-F8 HydrophobicContact CD1-CD2 3.76Å; F4-F8 AromaticContact CD1-CE1 3.9Å; F4-F8 HydrophobicContact CD1-CE1 3.9Å; F4-F8 AromaticContact CD1-CE2 3.62Å; F4-F8 HydrophobicContact CD1-CE2 3.62Å; F4-F8 AromaticContact CD1-CG 3.95Å; F4-F8 HydrophobicContact CD1-CG 3.95Å; F4-F8 AromaticContact CD1-CZ 3.67Å; F4-F8 HydrophobicContact CD1-CZ 3.67Å; F4-F8 HydrophobicContact CE1-CE1 4.19Å; F4-F8 AromaticContact CE1-CE2 3.95Å; F4-F8 HydrophobicContact CE1-CE2 3.95Å; F4-F8 AromaticContact CE1-CZ 3.74Å; F4-F8 HydrophobicContact CE1-CZ 3.74Å; F4-W10 HydrophobicContact CB-CZ2 3.85Å; F4-W10 HydrophobicContact CD1-CH2 4.04Å; F4-W10 AromaticContact CD1-CZ2 3.9Å; F4-W10 HydrophobicContact CD1-CZ2 3.9Å; F4-W10 HydrophobicContact CD2-CH2 4.02Å; F4-W10 AromaticContact CD2-CZ2 3.88Å; F4-W10 HydrophobicContact CD2-CZ2 3.88Å; F4-W10 HydrophobicContact CE1-CH2 4.06Å; F4-W10 HydrophobicContact CE1-CZ2 4.39Å; F4-W10 HydrophobicContact CE2-CH2 4.04Å; F4-W10 HydrophobicContact CE2-CZ2 4.38Å; F4-W10 HydrophobicContact CG-CH2 4.01Å; F4-W10 AromaticContact CG-CZ2 3.61Å; F4-W10 HydrophobicContact CG-CZ2 3.61Å; F4-W10 HydrophobicContact CZ-CH2 4.06Å; F4-V379 HydrophobicContact CE1-CB 4.29Å; F4-V379 HydrophobicContact CE1-CG1 3.8Å; F4-V379 HydrophobicContact CZ-CB 4.35Å; F4-V379 HydrophobicContact CZ-CG1 4.35Å; F4-N380 VanDerWaalsContact CD2-ND2 3.31Å; F4-N380 WeakPolarHBondContact CD2-ND2 3.26Å; F4-N380 HydrophobicContact CE2-CB 3.7Å; F4-N380 WeakPolarHBondContact CE2-ND2 3.17Å; F4-N380 HydrophobicContact CZ-CB 3.7Å; F4-I383 HydrophobicContact CD1-CD1 3.44Å; F4-I383 VanDerWaalsContact CD1-CD1 3.44Å; F4-I383 HydrophobicContact CE1-CD1 3.6Å; F4-I383 HydrophobicContact CG-CD1 4.35Å; F4-R445 WeakPolarHBondContact CD2-O 3.29Å; F4-R445 PolarHBondContact N-O 3.5Å; F4-R445 VanDerWaalsContact O-CZ 3.29Å; F4-R445 PolarHBondContact O-NE 2.9Å; F4-R445 PolarHBondContact O-NH2 3.46Å; F4-L449 HydrophobicContact CE2-CD1 3.84Å; F4-L449 HydrophobicContact CZ-CD1 4.41Å
5	P	97.6	Very high	96.8	Very high	50 Å²	50	44.8 Å²	44.8	33%	0.325	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-49.8	150.7	177.5	-27.3	35.2	0	0	0	113.4	T7 F8 I383	P5-T7 PolarHBondContact O-N 3.02Å; P5-F8 HydrophobicContact CB-CB 4.45Å; P5-F8 VanDerWaalsContact O-CB 3.25Å; P5-F8 WeakPolarHBondContact O-CB 3.35Å; P5-F8 PolarHBondContact O-N 3.02Å; P5-F8 VanDerWaalsContact O-N 3.15Å; P5-I383 HydrophobicContact CG-CG2 4.43Å
6	E	97.2	Very high	96.9	Very high	166 Å²	166	42.1 Å²	42.1	78%	0.776	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-28.9	177.4	-74.5	-176.1	-179.7	0	0	112.7	F8 R445	E6-F8 VanDerWaalsContact C-N 3.3Å; E6-R445 IonicContact OE1-CZ 3.9Å; E6-R445 IonicContact OE1-NH1 3.02Å; E6-R445 PolarHBondContact OE1-NH1 3.2Å
7	T	96.8	Very high	96.8	Very high	122 Å²	122	40.7 Å²	40.7	75%	0.748	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.1	179.6	51.8	0	0	0	0	113.4	P5 L9	P5-T7 PolarHBondContact O-N 3.02Å; T7-L9 PolarHBondContact O-N 3.2Å
8	F	98.6	Very high	96.9	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.031	20%	0.202	C	C	.	.			trans	-66.3	124.7	-175.7	-165.6	-91.3	0	0	0	111.1	F4 P5 E6 W10 V379 I383 I389 G391	F4-F8 HydrophobicContact CB-CB 4.27Å; F4-F8 HydrophobicContact CB-CG 4.25Å; F4-F8 HydrophobicContact CD1-CD1 4.04Å; F4-F8 AromaticContact CD1-CD2 3.76Å; F4-F8 HydrophobicContact CD1-CD2 3.76Å; F4-F8 AromaticContact CD1-CE1 3.9Å; F4-F8 HydrophobicContact CD1-CE1 3.9Å; F4-F8 AromaticContact CD1-CE2 3.62Å; F4-F8 HydrophobicContact CD1-CE2 3.62Å; F4-F8 AromaticContact CD1-CG 3.95Å; F4-F8 HydrophobicContact CD1-CG 3.95Å; F4-F8 AromaticContact CD1-CZ 3.67Å; F4-F8 HydrophobicContact CD1-CZ 3.67Å; F4-F8 HydrophobicContact CE1-CE1 4.19Å; F4-F8 AromaticContact CE1-CE2 3.95Å; F4-F8 HydrophobicContact CE1-CE2 3.95Å; F4-F8 AromaticContact CE1-CZ 3.74Å; F4-F8 HydrophobicContact CE1-CZ 3.74Å; P5-F8 HydrophobicContact CB-CB 4.45Å; P5-F8 VanDerWaalsContact O-CB 3.25Å; P5-F8 WeakPolarHBondContact O-CB 3.35Å; P5-F8 PolarHBondContact O-N 3.02Å; P5-F8 VanDerWaalsContact O-N 3.15Å; E6-F8 VanDerWaalsContact C-N 3.3Å; F8-W10 AromaticContact CD1-CD1 3.92Å; F8-W10 AromaticContact CD1-CD2 3.69Å; F8-W10 HydrophobicContact CD1-CD2 3.69Å; F8-W10 AromaticContact CD1-CE2 3.36Å; F8-W10 HydrophobicContact CD1-CE3 4.26Å; F8-W10 HydrophobicContact CD1-CG 4.05Å; F8-W10 HydrophobicContact CD1-CH2 4.24Å; F8-W10 AromaticContact CD1-CZ2 3.68Å; F8-W10 HydrophobicContact CD1-CZ2 3.68Å; F8-W10 AromaticContact CD1-NE1 3.52Å; F8-W10 AromaticContact CE1-CD2 3.82Å; F8-W10 HydrophobicContact CE1-CD2 3.82Å; F8-W10 AromaticContact CE1-CE2 3.76Å; F8-W10 AromaticContact CE1-CE3 3.9Å; F8-W10 HydrophobicContact CE1-CE3 3.9Å; F8-W10 HydrophobicContact CE1-CG 4.49Å; F8-W10 AromaticContact CE1-CH2 3.87Å; F8-W10 HydrophobicContact CE1-CH2 3.87Å; F8-W10 AromaticContact CE1-CZ2 3.8Å; F8-W10 HydrophobicContact CE1-CZ2 3.8Å; F8-W10 AromaticContact CE1-CZ3 3.92Å; F8-W10 HydrophobicContact CE1-CZ3 3.92Å; F8-V379 HydrophobicContact CZ-CG1 4.42Å; F8-I383 HydrophobicContact CD2-CD1 4.29Å; F8-I383 HydrophobicContact CE2-CD1 4.03Å; F8-I389 HydrophobicContact CE2-CB 4.22Å; F8-I389 HydrophobicContact CE2-CG2 3.8Å; F8-I389 HydrophobicContact CZ-CG2 4.42Å; F8-G391 VanDerWaalsContact CZ-C 3.48Å
9	L	98.8	Very high	96.9	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.105	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.2	-179.4	-61.8	174.6	0	0	0	110	T7 C66 K106 L153 F345 M390 G391 Y392	T7-L9 PolarHBondContact O-N 3.2Å; L9-C66 HydrophobicContact CB-CB 3.88Å; L9-C66 HydrophobicContact CD2-CB 4.42Å; L9-K106 HydrophobicContact CD2-CD 4.27Å; L9-L153 HydrophobicContact CD1-CD1 3.64Å; L9-F345 HydrophobicContact CB-CZ 3.96Å; L9-F345 HydrophobicContact CD1-CE1 3.81Å; L9-F345 HydrophobicContact CD1-CZ 3.9Å; L9-M390 PolarHBondContact N-O 3.42Å; L9-G391 CarbonylContact O-C 3.55Å; L9-G391 WeakPolarHBondContact O-CA 3.23Å; L9-Y392 PolarHBondContact O-N 3.05Å
10	W	98.8	Very high	97	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.7	178.7	-67.4	98.9	0	0	0	110.5	F4 F8 T65 C66 L376 Y438 V441 I442	F4-W10 HydrophobicContact CB-CZ2 3.85Å; F4-W10 HydrophobicContact CD1-CH2 4.04Å; F4-W10 AromaticContact CD1-CZ2 3.9Å; F4-W10 HydrophobicContact CD1-CZ2 3.9Å; F4-W10 HydrophobicContact CD2-CH2 4.02Å; F4-W10 AromaticContact CD2-CZ2 3.88Å; F4-W10 HydrophobicContact CD2-CZ2 3.88Å; F4-W10 HydrophobicContact CE1-CH2 4.06Å; F4-W10 HydrophobicContact CE1-CZ2 4.39Å; F4-W10 HydrophobicContact CE2-CH2 4.04Å; F4-W10 HydrophobicContact CE2-CZ2 4.38Å; F4-W10 HydrophobicContact CG-CH2 4.01Å; F4-W10 AromaticContact CG-CZ2 3.61Å; F4-W10 HydrophobicContact CG-CZ2 3.61Å; F4-W10 HydrophobicContact CZ-CH2 4.06Å; F8-W10 AromaticContact CD1-CD1 3.92Å; F8-W10 AromaticContact CD1-CD2 3.69Å; F8-W10 HydrophobicContact CD1-CD2 3.69Å; F8-W10 AromaticContact CD1-CE2 3.36Å; F8-W10 HydrophobicContact CD1-CE3 4.26Å; F8-W10 HydrophobicContact CD1-CG 4.05Å; F8-W10 HydrophobicContact CD1-CH2 4.24Å; F8-W10 AromaticContact CD1-CZ2 3.68Å; F8-W10 HydrophobicContact CD1-CZ2 3.68Å; F8-W10 AromaticContact CD1-NE1 3.52Å; F8-W10 AromaticContact CE1-CD2 3.82Å; F8-W10 HydrophobicContact CE1-CD2 3.82Å; F8-W10 AromaticContact CE1-CE2 3.76Å; F8-W10 AromaticContact CE1-CE3 3.9Å; F8-W10 HydrophobicContact CE1-CE3 3.9Å; F8-W10 HydrophobicContact CE1-CG 4.49Å; F8-W10 AromaticContact CE1-CH2 3.87Å; F8-W10 HydrophobicContact CE1-CH2 3.87Å; F8-W10 AromaticContact CE1-CZ2 3.8Å; F8-W10 HydrophobicContact CE1-CZ2 3.8Å; F8-W10 AromaticContact CE1-CZ3 3.92Å; F8-W10 HydrophobicContact CE1-CZ3 3.92Å; W10-T65 PolarHBondContact N-OG1 2.98Å; W10-T65 PolarHBondContact O-N 3.38Å; W10-T65 PolarHBondContact O-OG1 3.06Å; W10-C66 PolarHBondContact O-N 3.01Å; W10-L376 HydrophobicContact CH2-CD2 4.46Å; W10-L376 HydrophobicContact CZ3-CD1 4.22Å; W10-L376 HydrophobicContact CZ3-CD2 3.97Å; W10-Y438 HydrophobicContact CE3-CE2 4.28Å; W10-Y438 HydrophobicContact CZ3-CE2 4.47Å; W10-V441 HydrophobicContact CH2-CG1 4.06Å; W10-V441 HydrophobicContact CZ3-CG1 3.98Å; W10-I442 HydrophobicContact CB-CB 4.4Å; W10-I442 HydrophobicContact CB-CD1 3.99Å; W10-I442 HydrophobicContact CB-CG1 3.78Å; W10-I442 HydrophobicContact CB-CG2 3.82Å; W10-I442 HydrophobicContact CD2-CG1 4.06Å; W10-I442 HydrophobicContact CE3-CG1 4.14Å; W10-I442 HydrophobicContact CG-CB 4.33Å; W10-I442 HydrophobicContact CG-CG1 3.94Å; W10-I442 HydrophobicContact CG-CG2 3.86Å
11	G	98.7	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-130.8	160.8	0	0	0	0	0	113.2	C66 Y392 T393 S394 Y438	G11-C66 WeakPolarHBondContact CA-O 3.08Å; G11-Y392 PolarHBondContact N-O 3.07Å; G11-T393 WeakPolarHBondContact O-CA 3.42Å; G11-S394 PolarHBondContact O-N 3.27Å; G11-S394 PolarHBondContact O-OG 3Å; G11-Y438 PolarHBondContact O-OH 2.7Å
12	G	98.9	Very high	97.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	169.6	-173.3	0	0	0	0	0	113.3	R68 S394	G12-R68 PolarHBondContact O-N 2.93Å; G12-S394 CarbonylContact C-O 3.56Å; G12-S394 WeakPolarHBondContact CA-O 3.32Å
13	A	98.9	Very high	97.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.3	-174.3	0	0	0	0	0	112.3	R68 V347 S394 W395 G396 P397	A13-R68 CarbonylContact C-O 3.45Å; A13-R68 WeakPolarHBondContact CA-O 3.18Å; A13-R68 HydrophobicContact CB-CB 3.7Å; A13-R68 HydrophobicContact CB-CG 4.01Å; A13-V347 WeakPolarHBondContact CB-O 3.44Å; A13-S394 PolarHBondContact N-O 3.49Å; A13-W395 HydrophobicContact CB-CE3 3.99Å; A13-W395 HydrophobicContact CB-CZ3 4.36Å; A13-G396 WeakPolarHBondContact O-CA 3.36Å; A13-G396 PolarHBondContact O-N 3.06Å; A13-P397 WeakPolarHBondContact O-CD 3.43Å
14	T	98.6	Very high	97.6	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.025	15%	0.148	C	C	.	.			trans	-137.8	169.4	173.6	61.4	0	0	0	0	109.9	V19 R68 P397 I398 L400	T14-V19 HydrophobicContact CG2-CG1 3.99Å; T14-R68 PolarHBondContact N-O 2.85Å; T14-R68 PolarHBondContact OG1-O 3.45Å; T14-P397 HydrophobicContact CG2-CG 4.3Å; T14-I398 HydrophobicContact CG2-CG2 4.41Å; T14-L400 HydrophobicContact CG2-CD2 4.29Å
15	A	98.3	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.			trans	-118.8	142.8	165.7	0	0	0	0	0	109	N17 Q18 V19 H113 W395	A15-N17 PolarHBondContact O-N 2.95Å; A15-Q18 HydrophobicContact CB-CB 4.43Å; A15-Q18 HydrophobicContact CB-CG 4.12Å; A15-Q18 WeakPolarHBondContact O-CB 3.26Å; A15-Q18 PolarHBondContact O-N 3.29Å; A15-V19 PolarHBondContact O-N 3.2Å; A15-H113 HydrophobicContact CB-CB 4.43Å; A15-H113 WeakPolarHBondContact CB-ND1 3.15Å; A15-W395 HydrophobicContact CB-CH2 4.24Å
16	A	98.4	Very high	97.6	Very high	2 Å²	2	34 Å²	34	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-53.5	-54.1	-175.5	0	0	0	0	0	112.2	Q18 V19 E20 S70 A72 E115	A16-Q18 PolarHBondContact O-N 2.78Å; A16-V19 PolarHBondContact O-N 3Å; A16-V19 VanDerWaalsContact O-N 3.09Å; A16-E20 VanDerWaalsContact CB-CD 3.4Å; A16-E20 HydrophobicContact CB-CG 4.01Å; A16-E20 WeakPolarHBondContact CB-OE1 3.36Å; A16-E20 VanDerWaalsContact O-CB 3.31Å; A16-E20 WeakPolarHBondContact O-CB 3.34Å; A16-E20 WeakPolarHBondContact O-CG 3.49Å; A16-E20 PolarHBondContact O-N 3.29Å; A16-S70 WeakPolarHBondContact CB-OG 3.5Å; A16-S70 PolarHBondContact N-OG 3.36Å; A16-A72 HydrophobicContact CB-CB 3.91Å; A16-E115 WeakPolarHBondContact CB-OE2 3.41Å
17	N	96.3	Very high	97.6	Very high	18 Å²	18	28.4 Å²	28.4	10%	0.096	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-15.5	176.5	66.6	92	0	0	0	115.9	A15 S33 H113 E115	A15-N17 PolarHBondContact O-N 2.95Å; N17-S33 WeakPolarHBondContact CB-OG 3.4Å; N17-S33 PolarHBondContact OD1-OG 3.44Å; N17-H113 PolarHBondContact ND2-O 2.65Å; N17-E115 HydrophobicContact CB-CB 4.24Å; N17-E115 VanDerWaalsContact CB-OE2 3.31Å; N17-E115 WeakPolarHBondContact CB-OE2 3.36Å; N17-E115 PolarHBondContact N-OE2 3.46Å; N17-E115 PolarHBondContact ND2-OE2 3Å
18	Q	97	Very high	97.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-97.2	-14.5	-179.5	-62.1	-174.4	-98.8	0	0	113.4	A15 A16 L400 V401 A403	A15-Q18 HydrophobicContact CB-CB 4.43Å; A15-Q18 HydrophobicContact CB-CG 4.12Å; A15-Q18 WeakPolarHBondContact O-CB 3.26Å; A15-Q18 PolarHBondContact O-N 3.29Å; A16-Q18 PolarHBondContact O-N 2.78Å; Q18-L400 HydrophobicContact CB-CB 4.4Å; Q18-L400 HydrophobicContact CB-CD1 4.4Å; Q18-V401 WeakPolarHBondContact CB-O 3.31Å; Q18-V401 WeakPolarHBondContact CG-O 3.45Å; Q18-V401 PolarHBondContact NE2-O 3.05Å; Q18-V401 PolarHBondContact O-N 3.42Å; Q18-V401 VanDerWaalsContact O-N 3.08Å; Q18-A403 VanDerWaalsContact NE2-N 3.16Å
19	V	98.4	Very high	97.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	13%	0.129	C	C	.	.	H	α-helix	trans	-129.3	-37.4	-176.6	-60.8	0	0	0	0	114.7	T14 A15 A16 G21 I46 D47 F48 L400	T14-V19 HydrophobicContact CG2-CG1 3.99Å; A15-V19 PolarHBondContact O-N 3.2Å; A16-V19 PolarHBondContact O-N 3Å; A16-V19 VanDerWaalsContact O-N 3.09Å; V19-G21 PolarHBondContact O-N 2.84Å; V19-I46 HydrophobicContact CB-CD1 3.98Å; V19-I46 HydrophobicContact CB-CG1 3.9Å; V19-I46 HydrophobicContact CG1-CD1 4.01Å; V19-I46 HydrophobicContact CG1-CG1 4.32Å; V19-I46 VanDerWaalsContact O-CG1 3.25Å; V19-I46 WeakPolarHBondContact O-CG1 3.47Å; V19-I46 PolarHBondContact O-N 3.41Å; V19-D47 PolarHBondContact O-N 3.37Å; V19-F48 HydrophobicContact CB-CB 3.87Å; V19-F48 HydrophobicContact CB-CG 4.3Å; V19-F48 HydrophobicContact CG2-CB 3.97Å; V19-F48 HydrophobicContact CG2-CD1 4.12Å; V19-F48 HydrophobicContact CG2-CG 4.01Å; V19-F48 WeakPolarHBondContact O-CB 3.43Å; V19-F48 PolarHBondContact O-N 2.77Å; V19-L400 HydrophobicContact CG1-CB 3.59Å; V19-L400 HydrophobicContact CG1-CD2 4.23Å
20	E	98.4	Very high	97.6	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.033	14%	0.14	C	C	.	.			trans	-62.3	-50.3	-168.3	-74	-176.3	-177.7	0	0	112.5	A16 D47 F48 Y49 R75 Y93	A16-E20 VanDerWaalsContact CB-CD 3.4Å; A16-E20 HydrophobicContact CB-CG 4.01Å; A16-E20 WeakPolarHBondContact CB-OE1 3.36Å; A16-E20 VanDerWaalsContact O-CB 3.31Å; A16-E20 WeakPolarHBondContact O-CB 3.34Å; A16-E20 WeakPolarHBondContact O-CG 3.49Å; A16-E20 PolarHBondContact O-N 3.29Å; E20-D47 CarbonylContact O-C 3.46Å; E20-F48 HydrophobicContact CG-CD1 4.47Å; E20-F48 PolarHBondContact O-N 3.15Å; E20-Y49 VanDerWaalsContact O-CB 3.23Å; E20-Y49 WeakPolarHBondContact O-CB 3.5Å; E20-Y49 PolarHBondContact O-N 3.23Å; E20-R75 IonicContact OE2-CZ 3.35Å; E20-R75 IonicContact OE2-NE 3.75Å; E20-R75 PolarHBondContact OE2-NE 3.04Å; E20-R75 IonicContact OE2-NH2 3.93Å; E20-Y93 WeakPolarHBondContact OE1-CE1 3.37Å; E20-Y93 PolarHBondContact OE1-OH 2.95Å; E20-Y93 PolarHBondContact OE2-OH 3.04Å
21	G	96.9	Very high	97.5	Very high	6 Å²	6	25.6 Å²	25.6	6%	0.062	14%	0.14	C	C	.	.			trans	66.6	-144.5	-165.3	0	0	0	0	0	110.7	V19 W23 D43 V44 R75	V19-G21 PolarHBondContact O-N 2.84Å; G21-W23 PolarHBondContact O-N 3.41Å; G21-W23 VanDerWaalsContact O-N 3.1Å; G21-D43 CarbonylContact C-O 3.54Å; G21-D43 VanDerWaalsContact C-O 3.31Å; G21-D43 VanDerWaalsContact CA-O 3.31Å; G21-D43 WeakPolarHBondContact CA-O 3.46Å; G21-V44 WeakPolarHBondContact CA-O 3.39Å; G21-R75 PolarHBondContact O-NH2 3.11Å
22	A	97.6	Very high	97.3	Very high	6 Å²	6	25.6 Å²	25.6	5%	0.05	14%	0.14	C	C	.	.			trans	47	43.9	178.2	0	0	0	0	0	111.7	Q24 E25 D43 Y49 R75	A22-Q24 PolarHBondContact O-N 3.45Å; A22-Q24 VanDerWaalsContact O-N 3.11Å; A22-E25 HydrophobicContact CB-CB 4.07Å; A22-E25 HydrophobicContact CB-CG 4.04Å; A22-E25 PolarHBondContact O-N 3.26Å; A22-E25 VanDerWaalsContact O-N 3.16Å; A22-D43 PolarHBondContact N-O 3.13Å; A22-Y49 HydrophobicContact CB-CD1 3.49Å; A22-Y49 VanDerWaalsContact CB-CD1 3.49Å; A22-Y49 HydrophobicContact CB-CD2 4.32Å; A22-Y49 HydrophobicContact CB-CE1 4.23Å; A22-Y49 HydrophobicContact CB-CG 3.56Å; A22-R75 PolarHBondContact O-NH1 3.4Å; A22-R75 PolarHBondContact O-NH2 3.5Å
23	W	93.4	Very high	97	Very high	60 Å²	60	25.8 Å²	25.8	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.4	-159.9	77	-77.9	0	0	0	114.7	G21 K28 I30 D34 D43	G21-W23 PolarHBondContact O-N 3.41Å; G21-W23 VanDerWaalsContact O-N 3.1Å; W23-K28 WeakPolarHBondContact O-CD 3.42Å; W23-K28 WeakPolarHBondContact O-CG 3.27Å; W23-K28 PolarHBondContact O-NZ 3.42Å; W23-I30 HydrophobicContact CZ3-CG1 4.22Å; W23-D34 HydrophobicContact CE3-CB 4.09Å; W23-D34 HydrophobicContact CZ3-CB 4.34Å; W23-D43 VanDerWaalsContact CD1-CA 3.42Å; W23-D43 VanDerWaalsContact CD1-CG 3.48Å; W23-D43 HydrophobicContact CG-CB 4.14Å; W23-D43 PolarHBondContact N-O 2.87Å; W23-D43 VanDerWaalsContact NE1-CG 3.27Å; W23-D43 PolarHBondContact NE1-OD2 3.23Å; W23-D43 VanDerWaalsContact NE1-OD2 3.12Å
24	Q	93.7	Very high	96.7	Very high	120 Å²	120	27.3 Å²	27.3	56%	0.561	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	5.6	176.2	-82.7	-174.4	-14.3	0	0	113.9	A22	A22-Q24 PolarHBondContact O-N 3.45Å; A22-Q24 VanDerWaalsContact O-N 3.11Å
25	E	98.1	Very high	96.4	Very high	87 Å²	87	30.6 Å²	30.6	41%	0.407	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-78.5	154.9	178.5	-61.8	-169.9	-141.2	0	0	111.4	A22 G27 K28 H50	A22-E25 HydrophobicContact CB-CB 4.07Å; A22-E25 HydrophobicContact CB-CG 4.04Å; A22-E25 PolarHBondContact O-N 3.26Å; A22-E25 VanDerWaalsContact O-N 3.16Å; E25-G27 PolarHBondContact O-N 3.45Å; E25-K28 WeakPolarHBondContact O-CB 3.37Å; E25-K28 PolarHBondContact O-N 3.35Å; E25-K28 VanDerWaalsContact O-N 3.11Å; E25-H50 IonicContact OE1-CE1 2.73Å; E25-H50 PolarHBondContact OE1-CE1 3.06Å; E25-H50 IonicContact OE1-NE2 2.72Å; E25-H50 IonicContact OE2-CE1 3.98Å; E25-H50 PolarHBondContact OE2-CE1 2.83Å; E25-H50 IonicContact OE2-NE2 3.09Å; E25-H50 PolarHBondContact OE2-NE2 2.75Å
26	D	98.1	Very high	95.7	Very high	79 Å²	79	32.3 Å²	32.3	42%	0.422	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	52.1	33.1	175.6	-70.9	-27.4	0	0	0	114.3	K28 Y49 N86 A88	D26-K28 VanDerWaalsContact C-N 3.35Å; D26-K28 PolarHBondContact O-N 3.37Å; D26-Y49 PolarHBondContact OD2-OH 3.17Å; D26-N86 PolarHBondContact O-ND2 2.95Å; D26-A88 HydrophobicContact CB-CB 3.81Å
27	G	97.8	Very high	94.2	Very high	48 Å²	48	37 Å²	37	50%	0.495	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	77.6	13.7	175.3	0	0	0	0	0	115	E25 G29 P78	E25-G27 PolarHBondContact O-N 3.45Å; G27-G29 PolarHBondContact O-N 3.16Å; G27-P78 WeakPolarHBondContact O-CG 3.42Å
28	K	98.4	Very high	92.7	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.096	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-56.9	131.5	174.5	-179	179.5	161.1	-60.8	0	111.1	W23 E25 D26 D34 A74 R75	W23-K28 WeakPolarHBondContact O-CD 3.42Å; W23-K28 WeakPolarHBondContact O-CG 3.27Å; W23-K28 PolarHBondContact O-NZ 3.42Å; E25-K28 WeakPolarHBondContact O-CB 3.37Å; E25-K28 PolarHBondContact O-N 3.35Å; E25-K28 VanDerWaalsContact O-N 3.11Å; D26-K28 VanDerWaalsContact C-N 3.35Å; D26-K28 PolarHBondContact O-N 3.37Å; K28-D34 IonicContact NZ-OD1 3.4Å; K28-D34 IonicContact NZ-OD2 3.76Å; K28-D34 PolarHBondContact NZ-OD2 3.35Å; K28-A74 HydrophobicContact CG-CB 4.46Å; K28-R75 HydrophobicContact CB-CG 3.93Å; K28-R75 HydrophobicContact CD-CG 3.6Å; K28-R75 HydrophobicContact CG-CG 3.64Å
29	G	97.9	Very high	90.9	Very high	7 Å²	7	50 Å²	50	7%	0.072	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-78.4	168.3	172.6	0	0	0	0	0	113.7	G27 S31 A74	G27-G29 PolarHBondContact O-N 3.16Å; G29-S31 PolarHBondContact O-N 3.21Å; G29-A74 PolarHBondContact N-O 3.13Å; G29-A74 WeakPolarHBondContact O-CB 3.28Å
30	I	96.9	Very high	90	Very high	66 Å²	66	55.5 Å²	55.5	34%	0.338	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-70.4	129.1	172.6	-54.7	178.2	0	0	0	108.3	W23 D34 L35 Y118	W23-I30 HydrophobicContact CZ3-CG1 4.22Å; I30-D34 HydrophobicContact CG2-CB 4.15Å; I30-L35 HydrophobicContact CG2-CD1 4.09Å; I30-L35 HydrophobicContact CG2-CD2 3.99Å; I30-L35 HydrophobicContact CG2-CG 3.83Å; I30-Y118 HydrophobicContact CG2-CG 4.46Å; I30-Y118 WeakPolarHBondContact O-CB 3.39Å; I30-Y118 PolarHBondContact O-N 3.46Å
31	S	96.8	Very high	89.5	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.014	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-102	166.9	171.8	70.6	0	0	0	0	111.6	G29 S33 D34 E115 M116	G29-S31 PolarHBondContact O-N 3.21Å; S31-S33 PolarHBondContact O-N 3.13Å; S31-S33 PolarHBondContact OG-N 3.41Å; S31-D34 WeakPolarHBondContact CB-OD2 3.43Å; S31-D34 PolarHBondContact N-OD2 3.45Å; S31-D34 PolarHBondContact O-N 3.36Å; S31-D34 VanDerWaalsContact O-N 3.14Å; S31-D34 PolarHBondContact OG-N 2.92Å; S31-D34 PolarHBondContact OG-OD2 3.1Å; S31-E115 WeakPolarHBondContact CB-O 3.46Å; S31-M116 CarbonylContact C-O 3.44Å; S31-M116 VanDerWaalsContact CA-O 3.3Å; S31-M116 WeakPolarHBondContact CA-O 3.14Å
32	T	94.6	Very high	89.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-57.8	-34.8	171.1	49.8	0	0	0	0	112.4	D34 L35 Q36 Y114 M116 V121 F168	T32-D34 VanDerWaalsContact C-N 3.31Å; T32-D34 PolarHBondContact O-N 2.73Å; T32-L35 PolarHBondContact O-N 2.81Å; T32-Q36 PolarHBondContact O-N 2.95Å; T32-Y114 PolarHBondContact OG1-O 3.06Å; T32-M116 HydrophobicContact CG2-CG 3.54Å; T32-M116 HydrophobicContact CG2-SD 4.38Å; T32-M116 PolarHBondContact N-O 3.05Å; T32-V121 HydrophobicContact CG2-CG2 3.92Å; T32-F168 HydrophobicContact CG2-CE1 4.32Å; T32-F168 HydrophobicContact CG2-CE2 4.4Å; T32-F168 HydrophobicContact CG2-CZ 4.15Å; T32-F168 WeakPolarHBondContact O-CE1 3.25Å
33	S	92.7	Very high	89	Confident	3 Å²	3	57 Å²	57	2%	0.021	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.7	-29.7	177	-179.9	0	0	0	0	113.3	N17 S31 L35 Q36 K42	N17-S33 WeakPolarHBondContact CB-OG 3.4Å; N17-S33 PolarHBondContact OD1-OG 3.44Å; S31-S33 PolarHBondContact O-N 3.13Å; S31-S33 PolarHBondContact OG-N 3.41Å; S33-L35 PolarHBondContact O-N 3.1Å; S33-Q36 PolarHBondContact O-N 3.42Å; S33-K42 VanDerWaalsContact OG-CD 3.24Å; S33-K42 WeakPolarHBondContact OG-CD 3.29Å; S33-K42 PolarHBondContact OG-NZ 2.85Å
34	D	93.3	Very high	89.1	Confident	32 Å²	32	57.1 Å²	57.1	17%	0.171	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-73.6	-12.5	178	-56.6	-47.2	0	0	0	111.9	W23 K28 I30 S31 T32	W23-D34 HydrophobicContact CE3-CB 4.09Å; W23-D34 HydrophobicContact CZ3-CB 4.34Å; K28-D34 IonicContact NZ-OD1 3.4Å; K28-D34 IonicContact NZ-OD2 3.76Å; K28-D34 PolarHBondContact NZ-OD2 3.35Å; I30-D34 HydrophobicContact CG2-CB 4.15Å; S31-D34 WeakPolarHBondContact CB-OD2 3.43Å; S31-D34 PolarHBondContact N-OD2 3.45Å; S31-D34 PolarHBondContact O-N 3.36Å; S31-D34 VanDerWaalsContact O-N 3.14Å; S31-D34 PolarHBondContact OG-N 2.92Å; S31-D34 PolarHBondContact OG-OD2 3.1Å; T32-D34 VanDerWaalsContact C-N 3.31Å; T32-D34 PolarHBondContact O-N 2.73Å
35	L	91.4	Very high	89.3	Confident	74 Å²	74	51.4 Å²	51.4	39%	0.387	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-107.7	0.7	-179.5	-62.9	179.3	0	0	0	113.4	I30 T32 S33 Y118 F168	I30-L35 HydrophobicContact CG2-CD1 4.09Å; I30-L35 HydrophobicContact CG2-CD2 3.99Å; I30-L35 HydrophobicContact CG2-CG 3.83Å; T32-L35 PolarHBondContact O-N 2.81Å; S33-L35 PolarHBondContact O-N 3.1Å; L35-Y118 HydrophobicContact CD1-CD1 3.76Å; L35-Y118 HydrophobicContact CD1-CD2 3.25Å; L35-Y118 HydrophobicContact CD1-CE1 3.92Å; L35-Y118 HydrophobicContact CD1-CE2 3.44Å; L35-Y118 VanDerWaalsContact CD1-CE2 3.44Å; L35-Y118 HydrophobicContact CD1-CG 3.42Å; L35-Y118 VanDerWaalsContact CD1-CG 3.42Å; L35-F168 HydrophobicContact CB-CE1 4.01Å; L35-F168 HydrophobicContact CB-CZ 4.01Å; L35-F168 HydrophobicContact CD1-CZ 4.06Å
36	Q	82.9	Confident	89.3	Confident	35 Å²	35	47.2 Å²	47.2	16%	0.164	26%	0.26	C	S	.	.	S	Bend	trans	-64.2	142.6	173.1	-73.5	179.2	-15.8	0	0	109.6	T32 S33 T169	T32-Q36 PolarHBondContact O-N 2.95Å; S33-Q36 PolarHBondContact O-N 3.42Å; Q36-T169 PolarHBondContact NE2-OG1 2.8Å
37	P	67.7	Low	89.3	Confident	101 Å²	101	44.8 Å²	44.8	66%	0.656	25%	0.247	S	C	*	.	S	Bend	trans	-57.4	156.6	172.1	24.3	-31.1	0	0	0	109.8
38	H	65	Low	89.3	Confident	109 Å²	109	42.7 Å²	42.7	51%	0.505	22%	0.224	S	C	.	.	S	Bend	trans	100.8	109.4	-174.5	-47.9	-53.5	0	0	0	113.4	N40 H405	H38-N40 PolarHBondContact O-N 3.34Å; H38-H405 PolarHBondContact CD2-O 3.49Å; H38-H405 VanDerWaalsContact CD2-O 3.27Å
39	E	58.3	Low	89.3	Confident	185 Å²	185	42 Å²	42	86%	0.864	22%	0.221	S	C	*	.	S	Bend	trans	-47.8	102.9	-168.8	-59.5	-174.6	165.3	0	0	113.4	I41	E39-I41 PolarHBondContact O-N 3.3Å
40	N	79.3	Confident	89.4	Confident	116 Å²	116	46 Å²	46	62%	0.62	24%	0.238	S	C	*	.	S	Bend	trans	48.4	14.1	154.8	-57.5	-9.9	0	0	0	117.8	H38 K42 D43	H38-N40 PolarHBondContact O-N 3.34Å; N40-K42 VanDerWaalsContact C-N 3.29Å; N40-K42 PolarHBondContact O-N 3.15Å; N40-D43 WeakPolarHBondContact CA-OD1 3.49Å; N40-D43 HydrophobicContact CB-CB 4.42Å; N40-D43 WeakPolarHBondContact CB-OD2 3.46Å; N40-D43 WeakPolarHBondContact O-CB 3.01Å; N40-D43 PolarHBondContact O-N 3.44Å; N40-D43 VanDerWaalsContact O-N 3.16Å
41	I	89.8	Confident	89.5	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-33.4	-176.3	-169.3	172.4	0	0	0	111	E39 D43 A45 V401 S406 M408 R419	E39-I41 PolarHBondContact O-N 3.3Å; I41-D43 VanDerWaalsContact C-N 3.3Å; I41-D43 PolarHBondContact O-N 3.19Å; I41-A45 VanDerWaalsContact O-CA 3.3Å; I41-A45 WeakPolarHBondContact O-CA 3.46Å; I41-A45 PolarHBondContact O-N 2.99Å; I41-V401 HydrophobicContact CG1-CG2 4.19Å; I41-V401 HydrophobicContact CG2-CG1 3.89Å; I41-S406 WeakPolarHBondContact CG2-O 3.29Å; I41-M408 HydrophobicContact CD1-CG 3.91Å; I41-R419 PolarHBondContact O-NH2 3.39Å
42	K	90.8	Very high	89.5	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-72.3	-20.3	175.1	-67.9	-174.8	176.9	-179.5	0	113.1	S33 N40 V44 A45 V401	S33-K42 VanDerWaalsContact OG-CD 3.24Å; S33-K42 WeakPolarHBondContact OG-CD 3.29Å; S33-K42 PolarHBondContact OG-NZ 2.85Å; N40-K42 VanDerWaalsContact C-N 3.29Å; N40-K42 PolarHBondContact O-N 3.15Å; K42-V44 PolarHBondContact O-N 3.32Å; K42-V44 VanDerWaalsContact O-N 3.16Å; K42-A45 PolarHBondContact O-N 3.39Å; K42-V401 HydrophobicContact CG-CB 4.29Å; K42-V401 HydrophobicContact CG-CG1 3.76Å
43	D	92.9	Very high	89.7	Confident	31 Å²	31	50 Å²	50	17%	0.166	26%	0.255	C	S	.	.	H	α-helix	trans	-54.8	-38.7	178.5	-68	19.9	0	0	0	111.6	G21 A22 W23 N40 I41	G21-D43 CarbonylContact C-O 3.54Å; G21-D43 VanDerWaalsContact C-O 3.31Å; G21-D43 VanDerWaalsContact CA-O 3.31Å; G21-D43 WeakPolarHBondContact CA-O 3.46Å; A22-D43 PolarHBondContact N-O 3.13Å; W23-D43 VanDerWaalsContact CD1-CA 3.42Å; W23-D43 VanDerWaalsContact CD1-CG 3.48Å; W23-D43 HydrophobicContact CG-CB 4.14Å; W23-D43 PolarHBondContact N-O 2.87Å; W23-D43 VanDerWaalsContact NE1-CG 3.27Å; W23-D43 PolarHBondContact NE1-OD2 3.23Å; W23-D43 VanDerWaalsContact NE1-OD2 3.12Å; N40-D43 WeakPolarHBondContact CA-OD1 3.49Å; N40-D43 HydrophobicContact CB-CB 4.42Å; N40-D43 WeakPolarHBondContact CB-OD2 3.46Å; N40-D43 WeakPolarHBondContact O-CB 3.01Å; N40-D43 PolarHBondContact O-N 3.44Å; N40-D43 VanDerWaalsContact O-N 3.16Å; I41-D43 VanDerWaalsContact C-N 3.3Å; I41-D43 PolarHBondContact O-N 3.19Å
44	V	95.4	Very high	90	Very high	62 Å²	62	53.9 Å²	53.9	38%	0.376	27%	0.273	S	S	.	.	H	α-helix	trans	-109.4	-28.4	174.4	-177.2	0	0	0	0	111.3	G21 K42 I46 D47 R419 L427	G21-V44 WeakPolarHBondContact CA-O 3.39Å; K42-V44 PolarHBondContact O-N 3.32Å; K42-V44 VanDerWaalsContact O-N 3.16Å; V44-I46 PolarHBondContact O-N 2.9Å; V44-D47 HydrophobicContact CG1-CB 4.27Å; V44-D47 WeakPolarHBondContact O-CA 3.26Å; V44-D47 PolarHBondContact O-N 2.97Å; V44-R419 VanDerWaalsContact CB-NH1 3.28Å; V44-L427 HydrophobicContact CG1-CD1 4.23Å
45	A	96.3	Very high	90.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	-102	-179.9	0	0	0	0	0	114.7	I41 K42 V401 R419	I41-A45 VanDerWaalsContact O-CA 3.3Å; I41-A45 WeakPolarHBondContact O-CA 3.46Å; I41-A45 PolarHBondContact O-N 2.99Å; K42-A45 PolarHBondContact O-N 3.39Å; A45-V401 HydrophobicContact CB-CG2 4.16Å; A45-R419 VanDerWaalsContact C-NH1 3.27Å; A45-R419 WeakPolarHBondContact O-CD 3.22Å; A45-R419 VanDerWaalsContact O-CZ 3.28Å; A45-R419 PolarHBondContact O-NE 3.48Å; A45-R419 PolarHBondContact O-NH1 3.09Å
46	I	98.2	Very high	90.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	10.7	166.1	66.5	168	0	0	0	112.3	V19 V44 F48 I398 D399 M408 V417 R429	V19-I46 HydrophobicContact CB-CD1 3.98Å; V19-I46 HydrophobicContact CB-CG1 3.9Å; V19-I46 HydrophobicContact CG1-CD1 4.01Å; V19-I46 HydrophobicContact CG1-CG1 4.32Å; V19-I46 VanDerWaalsContact O-CG1 3.25Å; V19-I46 WeakPolarHBondContact O-CG1 3.47Å; V19-I46 PolarHBondContact O-N 3.41Å; V44-I46 PolarHBondContact O-N 2.9Å; I46-F48 VanDerWaalsContact C-N 3.26Å; I46-F48 HydrophobicContact CD1-CB 4.44Å; I46-F48 HydrophobicContact CG1-CB 4.11Å; I46-F48 PolarHBondContact O-N 2.82Å; I46-I398 HydrophobicContact CD1-CD1 3.81Å; I46-I398 HydrophobicContact CD1-CG1 3.88Å; I46-I398 HydrophobicContact CD1-CG2 3.82Å; I46-D399 WeakPolarHBondContact CD1-O 3.49Å; I46-D399 WeakPolarHBondContact CG2-O 3.46Å; I46-M408 HydrophobicContact CG2-CE 4.19Å; I46-M408 HydrophobicContact CG2-SD 4.22Å; I46-V417 HydrophobicContact CB-CG1 4.15Å; I46-V417 HydrophobicContact CB-CG2 4.49Å; I46-V417 HydrophobicContact CD1-CG2 4.38Å; I46-V417 HydrophobicContact CG2-CB 4.32Å; I46-V417 HydrophobicContact CG2-CG1 3.96Å; I46-V417 HydrophobicContact CG2-CG2 4.29Å; I46-R429 VanDerWaalsContact O-CZ 3.28Å; I46-R429 PolarHBondContact O-NH1 2.71Å; I46-R429 PolarHBondContact O-NH2 3.28Å
47	D	98.4	Very high	91.4	Very high	28 Å²	28	50 Å²	50	15%	0.15	26%	0.261	C	S	.	.			trans	61.8	33.6	-178.1	-166.1	39.5	0	0	0	112.6	V19 E20 V44 Y49 H50 R51 L427	V19-D47 PolarHBondContact O-N 3.37Å; E20-D47 CarbonylContact O-C 3.46Å; V44-D47 HydrophobicContact CG1-CB 4.27Å; V44-D47 WeakPolarHBondContact O-CA 3.26Å; V44-D47 PolarHBondContact O-N 2.97Å; D47-Y49 PolarHBondContact O-N 3.29Å; D47-H50 PolarHBondContact O-N 3.42Å; D47-H50 IonicContact OD1-CE1 3.76Å; D47-H50 IonicContact OD1-CG 3.27Å; D47-H50 IonicContact OD1-ND1 2.8Å; D47-H50 PolarHBondContact OD1-ND1 3.34Å; D47-H50 IonicContact OD2-ND1 3.58Å; D47-R51 VanDerWaalsContact O-CB 3.3Å; D47-R51 WeakPolarHBondContact O-CB 3.48Å; D47-R51 WeakPolarHBondContact O-CG 2.96Å; D47-R51 PolarHBondContact O-N 3.05Å; D47-R51 IonicContact OD2-NE 3.32Å; D47-L427 HydrophobicContact CB-CD1 4.05Å
48	F	98.8	Very high	92.9	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-28.3	178.2	-175.7	-91.4	0	0	0	111.3	V19 E20 I46 H50 R51 Y52 D55 I56 F59 L96	V19-F48 HydrophobicContact CB-CB 3.87Å; V19-F48 HydrophobicContact CB-CG 4.3Å; V19-F48 HydrophobicContact CG2-CB 3.97Å; V19-F48 HydrophobicContact CG2-CD1 4.12Å; V19-F48 HydrophobicContact CG2-CG 4.01Å; V19-F48 WeakPolarHBondContact O-CB 3.43Å; V19-F48 PolarHBondContact O-N 2.77Å; E20-F48 HydrophobicContact CG-CD1 4.47Å; E20-F48 PolarHBondContact O-N 3.15Å; I46-F48 VanDerWaalsContact C-N 3.26Å; I46-F48 HydrophobicContact CD1-CB 4.44Å; I46-F48 HydrophobicContact CG1-CB 4.11Å; I46-F48 PolarHBondContact O-N 2.82Å; F48-H50 PolarHBondContact O-N 3.47Å; F48-R51 PolarHBondContact O-N 2.92Å; F48-Y52 WeakPolarHBondContact O-CA 3.4Å; F48-Y52 VanDerWaalsContact O-CB 3.3Å; F48-Y52 WeakPolarHBondContact O-CB 3.32Å; F48-Y52 PolarHBondContact O-N 2.9Å; F48-D55 HydrophobicContact CD2-CB 3.84Å; F48-D55 VanDerWaalsContact CD2-OD2 3.23Å; F48-D55 WeakPolarHBondContact CD2-OD2 3.19Å; F48-D55 HydrophobicContact CE2-CB 3.6Å; F48-I56 HydrophobicContact CZ-CD1 4.32Å; F48-F59 HydrophobicContact CE2-CE2 4.17Å; F48-L96 HydrophobicContact CE1-CD1 3.85Å; F48-L96 HydrophobicContact CE1-CD2 4.09Å; F48-L96 HydrophobicContact CZ-CD1 4Å
49	Y	98.7	Very high	94.5	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-54	-39	175.8	-171.3	-99.1	0	0	0	112.6	E20 A22 D26 D47 Y52 R75 F92	E20-Y49 VanDerWaalsContact O-CB 3.23Å; E20-Y49 WeakPolarHBondContact O-CB 3.5Å; E20-Y49 PolarHBondContact O-N 3.23Å; A22-Y49 HydrophobicContact CB-CD1 3.49Å; A22-Y49 VanDerWaalsContact CB-CD1 3.49Å; A22-Y49 HydrophobicContact CB-CD2 4.32Å; A22-Y49 HydrophobicContact CB-CE1 4.23Å; A22-Y49 HydrophobicContact CB-CG 3.56Å; D26-Y49 PolarHBondContact OD2-OH 3.17Å; D47-Y49 PolarHBondContact O-N 3.29Å; Y49-Y52 WeakPolarHBondContact O-CD1 3.27Å; Y49-R75 VanDerWaalsContact CE2-CZ 3.47Å; Y49-F92 HydrophobicContact CD2-CD1 4.01Å; Y49-F92 AromaticContact CD2-CD2 3.6Å; Y49-F92 HydrophobicContact CD2-CD2 3.6Å; Y49-F92 AromaticContact CD2-CE1 3.79Å; Y49-F92 HydrophobicContact CD2-CE1 3.79Å; Y49-F92 AromaticContact CD2-CE2 3.37Å; Y49-F92 HydrophobicContact CD2-CE2 3.37Å; Y49-F92 AromaticContact CD2-CG 3.91Å; Y49-F92 HydrophobicContact CD2-CG 3.91Å; Y49-F92 AromaticContact CD2-CZ 3.48Å; Y49-F92 HydrophobicContact CD2-CZ 3.48Å; Y49-F92 VanDerWaalsContact CD2-CZ 3.48Å; Y49-F92 HydrophobicContact CE2-CB 3.89Å; Y49-F92 AromaticContact CE2-CD1 3.63Å; Y49-F92 HydrophobicContact CE2-CD1 3.63Å; Y49-F92 AromaticContact CE2-CD2 3.25Å; Y49-F92 HydrophobicContact CE2-CD2 3.25Å; Y49-F92 AromaticContact CE2-CE1 3.92Å; Y49-F92 HydrophobicContact CE2-CE1 3.92Å; Y49-F92 AromaticContact CE2-CE2 3.59Å; Y49-F92 HydrophobicContact CE2-CE2 3.59Å; Y49-F92 AromaticContact CE2-CG 3.27Å; Y49-F92 HydrophobicContact CE2-CG 3.27Å; Y49-F92 AromaticContact CE2-CZ 3.91Å; Y49-F92 HydrophobicContact CE2-CZ 3.91Å; Y49-F92 HydrophobicContact CG-CD2 4.37Å; Y49-F92 HydrophobicContact CG-CE2 4Å; Y49-F92 HydrophobicContact CG-CZ 4.32Å; Y49-F92 AromaticContact CZ-CD2 3.8Å; Y49-F92 AromaticContact CZ-CG 3.98Å; Y49-F92 WeakPolarHBondContact O-CE2 3.33Å
50	H	98.7	Very high	96.4	Very high	90 Å²	90	33.5 Å²	33.5	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-96.9	-28.1	178.1	-59.7	112.6	0	0	0	113.2	E25 D47 F48	E25-H50 IonicContact OE1-CE1 2.73Å; E25-H50 PolarHBondContact OE1-CE1 3.06Å; E25-H50 IonicContact OE1-NE2 2.72Å; E25-H50 IonicContact OE2-CE1 3.98Å; E25-H50 PolarHBondContact OE2-CE1 2.83Å; E25-H50 IonicContact OE2-NE2 3.09Å; E25-H50 PolarHBondContact OE2-NE2 2.75Å; D47-H50 PolarHBondContact O-N 3.42Å; D47-H50 IonicContact OD1-CE1 3.76Å; D47-H50 IonicContact OD1-CG 3.27Å; D47-H50 IonicContact OD1-ND1 2.8Å; D47-H50 PolarHBondContact OD1-ND1 3.34Å; D47-H50 IonicContact OD2-ND1 3.58Å; F48-H50 PolarHBondContact O-N 3.47Å
51	R	98.7	Very high	97.3	Very high	77 Å²	77	32.8 Å²	32.8	29%	0.291	18%	0.175	S	C	.	.	H	α-helix	trans	-100.7	2.5	-171.6	-64.4	178.5	171.6	-94.5	5.5	114.6	D47 F48 P53 E54 D55 R429	D47-R51 VanDerWaalsContact O-CB 3.3Å; D47-R51 WeakPolarHBondContact O-CB 3.48Å; D47-R51 WeakPolarHBondContact O-CG 2.96Å; D47-R51 PolarHBondContact O-N 3.05Å; D47-R51 IonicContact OD2-NE 3.32Å; F48-R51 PolarHBondContact O-N 2.92Å; R51-P53 VanDerWaalsContact C-N 3.25Å; R51-P53 VanDerWaalsContact O-N 3.09Å; R51-E54 IonicContact NH1-OE2 2.75Å; R51-E54 PolarHBondContact NH1-OE2 3.46Å; R51-E54 WeakPolarHBondContact O-CB 3.38Å; R51-E54 PolarHBondContact O-N 2.9Å; R51-D55 PolarHBondContact O-N 3.48Å; R51-D55 VanDerWaalsContact O-N 3.09Å; R51-R429 VanDerWaalsContact CD-CZ 3.48Å
52	Y	98.6	Very high	97.8	Very high	26 Å²	26	32.6 Å²	32.6	10%	0.102	17%	0.174	C	C	.	.	H	α-helix	trans	-51.5	-35	-179.4	76.7	-90.1	0	0	0	114	F48 Y49 E54 D55 I56 F92 R95 L96 E99	F48-Y52 WeakPolarHBondContact O-CA 3.4Å; F48-Y52 VanDerWaalsContact O-CB 3.3Å; F48-Y52 WeakPolarHBondContact O-CB 3.32Å; F48-Y52 PolarHBondContact O-N 2.9Å; Y49-Y52 WeakPolarHBondContact O-CD1 3.27Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; Y52-E54 PolarHBondContact O-N 3.13Å; Y52-D55 PolarHBondContact O-N 3.45Å; Y52-I56 HydrophobicContact CD2-CG1 4.44Å; Y52-I56 VanDerWaalsContact O-CB 3.26Å; Y52-I56 WeakPolarHBondContact O-CB 3.23Å; Y52-I56 WeakPolarHBondContact O-CG1 3.45Å; Y52-I56 PolarHBondContact O-N 3.2Å; Y52-F92 HydrophobicContact CD1-CE2 4.09Å; Y52-F92 HydrophobicContact CE1-CE2 4.34Å; Y52-R95 WeakPolarHBondContact OH-CB 3.49Å; Y52-L96 HydrophobicContact CD2-CB 4.49Å; Y52-L96 HydrophobicContact CD2-CD1 3.6Å; Y52-L96 HydrophobicContact CE2-CD1 4.47Å; Y52-L96 HydrophobicContact CG-CD1 3.8Å; Y52-E99 HydrophobicContact CD2-CB 4.05Å; Y52-E99 HydrophobicContact CD2-CG 4.06Å; Y52-E99 HydrophobicContact CE2-CB 3.67Å; Y52-E99 HydrophobicContact CE2-CG 3.87Å
53	P	98.7	Very high	98.1	Very high	49 Å²	49	33.6 Å²	33.6	32%	0.318	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-39.2	177.8	-22.1	35.4	0	0	0	112.9	R51 A57 E99	R51-P53 VanDerWaalsContact C-N 3.25Å; R51-P53 VanDerWaalsContact O-N 3.09Å; P53-A57 WeakPolarHBondContact O-CB 3.48Å; P53-A57 PolarHBondContact O-N 2.99Å; P53-A57 VanDerWaalsContact O-N 3.15Å; P53-E99 HydrophobicContact CB-CG 4.48Å
54	E	98.5	Very high	98.4	Very high	85 Å²	85	32.4 Å²	32.4	40%	0.397	18%	0.181	S	C	.	.	H	α-helix	trans	-66.5	-45	175.3	-178.3	-176.3	-178.8	0	0	110.8	R51 Y52 A57 L58	R51-E54 IonicContact NH1-OE2 2.75Å; R51-E54 PolarHBondContact NH1-OE2 3.46Å; R51-E54 WeakPolarHBondContact O-CB 3.38Å; R51-E54 PolarHBondContact O-N 2.9Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; Y52-E54 PolarHBondContact O-N 3.13Å; E54-A57 WeakPolarHBondContact O-CB 3.32Å; E54-A57 PolarHBondContact O-N 3.3Å; E54-L58 PolarHBondContact O-N 3.08Å
55	D	98.8	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-40.7	-176.9	-65.1	-26.6	0	0	0	111.8	F48 R51 Y52 A57 L58 F59 I398 R429	F48-D55 HydrophobicContact CD2-CB 3.84Å; F48-D55 VanDerWaalsContact CD2-OD2 3.23Å; F48-D55 WeakPolarHBondContact CD2-OD2 3.19Å; F48-D55 HydrophobicContact CE2-CB 3.6Å; R51-D55 PolarHBondContact O-N 3.48Å; R51-D55 VanDerWaalsContact O-N 3.09Å; Y52-D55 PolarHBondContact O-N 3.45Å; D55-A57 VanDerWaalsContact C-N 3.33Å; D55-A57 PolarHBondContact O-N 3Å; D55-L58 PolarHBondContact O-N 3.21Å; D55-F59 HydrophobicContact CB-CE2 4.41Å; D55-F59 VanDerWaalsContact O-CD2 3.27Å; D55-F59 WeakPolarHBondContact O-CD2 3.26Å; D55-F59 WeakPolarHBondContact O-CG 3.13Å; D55-F59 PolarHBondContact O-N 3.31Å; D55-I398 HydrophobicContact CB-CD1 4.32Å; D55-I398 WeakPolarHBondContact OD1-CD1 3.38Å; D55-R429 WeakPolarHBondContact OD1-CG 3.47Å; D55-R429 IonicContact OD1-CZ 3.67Å; D55-R429 IonicContact OD1-NE 2.76Å; D55-R429 PolarHBondContact OD1-NE 2.99Å; D55-R429 IonicContact OD1-NH2 3.32Å; D55-R429 IonicContact OD2-CZ 3.85Å; D55-R429 IonicContact OD2-NE 2.75Å; D55-R429 IonicContact OD2-NH2 3.63Å; D55-R429 PolarHBondContact OD2-NH2 2.84Å
56	I	98.9	Very high	98.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-40	173.4	-68.1	-52.7	0	0	0	110.7	F48 Y52 L58 F59 A60 L67 L96 E99 M100 A103 I105	F48-I56 HydrophobicContact CZ-CD1 4.32Å; Y52-I56 HydrophobicContact CD2-CG1 4.44Å; Y52-I56 VanDerWaalsContact O-CB 3.26Å; Y52-I56 WeakPolarHBondContact O-CB 3.23Å; Y52-I56 WeakPolarHBondContact O-CG1 3.45Å; Y52-I56 PolarHBondContact O-N 3.2Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 3.29Å; I56-F59 HydrophobicContact CD1-CD2 3.83Å; I56-F59 HydrophobicContact CD1-CE2 4.2Å; I56-F59 PolarHBondContact O-N 3.41Å; I56-A60 WeakPolarHBondContact O-CB 3.42Å; I56-A60 PolarHBondContact O-N 2.95Å; I56-L67 HydrophobicContact CD1-CD2 3.5Å; I56-L96 HydrophobicContact CD1-CD1 4.28Å; I56-L96 HydrophobicContact CG1-CD1 4.25Å; I56-E99 HydrophobicContact CB-CG 4.11Å; I56-E99 HydrophobicContact CG1-CG 4.28Å; I56-E99 HydrophobicContact CG2-CG 4.01Å; I56-M100 HydrophobicContact CD1-CG 3.67Å; I56-M100 HydrophobicContact CG1-CG 4.27Å; I56-A103 HydrophobicContact CG2-CB 3.69Å; I56-I105 HydrophobicContact CG2-CD1 4.28Å
57	A	98.8	Very high	98.7	Very high	57 Å²	57	31.8 Å²	31.8	47%	0.471	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-38.8	175.9	0	0	0	0	0	112.3	P53 E54 D55 A60 E61	P53-A57 WeakPolarHBondContact O-CB 3.48Å; P53-A57 PolarHBondContact O-N 2.99Å; P53-A57 VanDerWaalsContact O-N 3.15Å; E54-A57 WeakPolarHBondContact O-CB 3.32Å; E54-A57 PolarHBondContact O-N 3.3Å; D55-A57 VanDerWaalsContact C-N 3.33Å; D55-A57 PolarHBondContact O-N 3Å; A57-A60 PolarHBondContact O-N 3.39Å; A57-E61 WeakPolarHBondContact O-CB 3.44Å; A57-E61 PolarHBondContact O-N 3.43Å
58	L	98.9	Very high	98.7	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	17%	0.171	C	C	.	.	H	α-helix	trans	-66.8	-37.6	174.5	-68.9	170.1	0	0	0	112.4	E54 D55 I56 E61 M62 I415 R429 R431 F435	E54-L58 PolarHBondContact O-N 3.08Å; D55-L58 PolarHBondContact O-N 3.21Å; I56-L58 VanDerWaalsContact C-N 3.32Å; I56-L58 PolarHBondContact O-N 3.29Å; L58-E61 PolarHBondContact O-N 2.96Å; L58-M62 PolarHBondContact O-N 2.92Å; L58-I415 HydrophobicContact CB-CD1 3.61Å; L58-I415 HydrophobicContact CB-CG1 4.46Å; L58-I415 HydrophobicContact CD1-CD1 4.04Å; L58-I415 HydrophobicContact CD1-CG1 4.43Å; L58-I415 HydrophobicContact CD1-CG2 3.99Å; L58-I415 HydrophobicContact CG-CD1 4.43Å; L58-R429 HydrophobicContact CD1-CB 3.8Å; L58-R429 HydrophobicContact CD1-CG 4.11Å; L58-R431 HydrophobicContact CD2-CG 4.46Å; L58-R431 VanDerWaalsContact CD2-CZ 3.46Å; L58-R431 VanDerWaalsContact CD2-NH2 3.29Å; L58-F435 HydrophobicContact CB-CE2 4.33Å; L58-F435 HydrophobicContact CD2-CE2 4.4Å; L58-F435 HydrophobicContact CD2-CZ 4.48Å; L58-F435 WeakPolarHBondContact O-CZ 3.44Å
59	F	98.9	Very high	98.7	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-40.4	173.4	-59.1	-34.8	0	0	0	112.1	F48 D55 I56 E61 M62 G63 F64 L67 I105 P397 I398 I415	F48-F59 HydrophobicContact CE2-CE2 4.17Å; D55-F59 HydrophobicContact CB-CE2 4.41Å; D55-F59 VanDerWaalsContact O-CD2 3.27Å; D55-F59 WeakPolarHBondContact O-CD2 3.26Å; D55-F59 WeakPolarHBondContact O-CG 3.13Å; D55-F59 PolarHBondContact O-N 3.31Å; I56-F59 HydrophobicContact CD1-CD2 3.83Å; I56-F59 HydrophobicContact CD1-CE2 4.2Å; I56-F59 PolarHBondContact O-N 3.41Å; F59-E61 VanDerWaalsContact C-N 3.32Å; F59-E61 PolarHBondContact O-N 2.95Å; F59-M62 HydrophobicContact CD1-CE 3.78Å; F59-M62 PolarHBondContact O-N 2.87Å; F59-G63 PolarHBondContact O-N 2.75Å; F59-F64 HydrophobicContact CB-CB 4.33Å; F59-F64 HydrophobicContact CB-CD2 3.67Å; F59-F64 HydrophobicContact CB-CE2 4.11Å; F59-F64 HydrophobicContact CB-CG 4.01Å; F59-F64 HydrophobicContact CD1-CD2 4.22Å; F59-F64 AromaticContact CD1-CE2 3.76Å; F59-F64 HydrophobicContact CD1-CE2 3.76Å; F59-F64 HydrophobicContact CD1-CZ 4.24Å; F59-F64 HydrophobicContact CE1-CE2 4.44Å; F59-F64 AromaticContact CG-CD2 4Å; F59-F64 HydrophobicContact CG-CD2 4Å; F59-F64 HydrophobicContact CG-CE2 4Å; F59-F64 WeakPolarHBondContact O-CB 3.35Å; F59-F64 PolarHBondContact O-N 2.76Å; F59-F64 VanDerWaalsContact O-N 3.13Å; F59-L67 HydrophobicContact CD2-CD1 3.94Å; F59-L67 HydrophobicContact CD2-CD2 3.74Å; F59-L67 HydrophobicContact CD2-CG 4.47Å; F59-L67 HydrophobicContact CE2-CD1 3.88Å; F59-L67 HydrophobicContact CE2-CD2 3.8Å; F59-L67 HydrophobicContact CG-CD1 4.46Å; F59-L67 HydrophobicContact CZ-CD1 4.35Å; F59-I105 HydrophobicContact CB-CD1 3.92Å; F59-P397 HydrophobicContact CD1-CB 4.49Å; F59-P397 HydrophobicContact CE1-CB 3.98Å; F59-P397 HydrophobicContact CE1-CG 3.79Å; F59-P397 HydrophobicContact CZ-CG 4.11Å; F59-I398 HydrophobicContact CE1-CB 4.19Å; F59-I398 HydrophobicContact CE1-CG2 4.33Å; F59-I398 HydrophobicContact CZ-CB 4.18Å; F59-I398 HydrophobicContact CZ-CG2 3.85Å; F59-I415 HydrophobicContact CD1-CD1 3.98Å; F59-I415 HydrophobicContact CE1-CD1 3.75Å
60	A	98.8	Very high	98.8	Very high	37 Å²	37	30.1 Å²	30.1	31%	0.306	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-38.8	175.6	0	0	0	0	0	111.6	I56 A57 M62 G63 A103 I105	I56-A60 WeakPolarHBondContact O-CB 3.42Å; I56-A60 PolarHBondContact O-N 2.95Å; A57-A60 PolarHBondContact O-N 3.39Å; A60-M62 VanDerWaalsContact C-N 3.31Å; A60-M62 PolarHBondContact O-N 2.87Å; A60-G63 WeakPolarHBondContact O-CA 3.45Å; A60-G63 PolarHBondContact O-N 2.98Å; A60-A103 HydrophobicContact CB-CB 3.89Å; A60-I105 HydrophobicContact CB-CD1 4.36Å
61	E	98.8	Very high	98.8	Very high	102 Å²	102	25.8 Å²	25.8	48%	0.477	15%	0.149	S	C	.	.	H	α-helix	trans	-62.7	-35.1	175.5	-178.7	-176.3	151.4	0	0	112.6	A57 L58 F59 G63 R431 F435	A57-E61 WeakPolarHBondContact O-CB 3.44Å; A57-E61 PolarHBondContact O-N 3.43Å; L58-E61 PolarHBondContact O-N 2.96Å; F59-E61 VanDerWaalsContact C-N 3.32Å; F59-E61 PolarHBondContact O-N 2.95Å; E61-G63 PolarHBondContact O-N 2.93Å; E61-R431 IonicContact OE1-CZ 2.82Å; E61-R431 IonicContact OE1-NE 3.78Å; E61-R431 PolarHBondContact OE1-NE 2.82Å; E61-R431 IonicContact OE1-NH2 3.53Å; E61-R431 IonicContact OE2-CZ 3.22Å; E61-R431 IonicContact OE2-NE 2.74Å; E61-R431 PolarHBondContact OE2-NE 3.12Å; E61-R431 IonicContact OE2-NH2 2.65Å; E61-R431 PolarHBondContact OE2-NH2 2.96Å; E61-F435 HydrophobicContact CB-CZ 3.99Å; E61-F435 HydrophobicContact CG-CE1 3.92Å; E61-F435 HydrophobicContact CG-CZ 3.85Å; E61-F435 VanDerWaalsContact OE1-CE1 3.31Å; E61-F435 WeakPolarHBondContact OE1-CE1 3.35Å
62	M	98.7	Very high	98.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.4	170	-69.8	-172.3	-75.4	0	0	113.3	L58 F59 A60 F64 F414 I415 F435 Y438 A439 I442	L58-M62 PolarHBondContact O-N 2.92Å; F59-M62 HydrophobicContact CD1-CE 3.78Å; F59-M62 PolarHBondContact O-N 2.87Å; A60-M62 VanDerWaalsContact C-N 3.31Å; A60-M62 PolarHBondContact O-N 2.87Å; M62-F64 HydrophobicContact CB-CD1 3.86Å; M62-F64 HydrophobicContact CB-CE1 3.85Å; M62-F64 HydrophobicContact CE-CD1 4.35Å; M62-F64 HydrophobicContact CE-CE1 3.55Å; M62-F64 HydrophobicContact CE-CE2 4.38Å; M62-F64 HydrophobicContact CE-CZ 3.57Å; M62-F64 HydrophobicContact SD-CE1 4.01Å; M62-F64 HydrophobicContact SD-CZ 4.45Å; M62-F414 HydrophobicContact CE-CB 4.37Å; M62-F414 HydrophobicContact CE-CD2 4.21Å; M62-F414 HydrophobicContact SD-CB 3.76Å; M62-F414 HydrophobicContact SD-CD2 3.87Å; M62-F414 HydrophobicContact SD-CG 3.97Å; M62-I415 HydrophobicContact CE-CD1 4.04Å; M62-I415 HydrophobicContact CE-CG1 4.49Å; M62-F435 HydrophobicContact CE-CD2 4.11Å; M62-F435 HydrophobicContact CE-CE2 3.96Å; M62-F435 HydrophobicContact CG-CD1 4.06Å; M62-F435 HydrophobicContact CG-CD2 3.59Å; M62-F435 HydrophobicContact CG-CE1 3.84Å; M62-F435 HydrophobicContact CG-CE2 3.36Å; M62-F435 HydrophobicContact CG-CG 3.94Å; M62-F435 HydrophobicContact CG-CZ 3.49Å; M62-F435 VanDerWaalsContact CG-CZ 3.49Å; M62-F435 HydrophobicContact SD-CD2 3.48Å; M62-F435 WeakPolarHBondContact SD-CD2 3.31Å; M62-F435 HydrophobicContact SD-CE2 3.74Å; M62-F435 HydrophobicContact SD-CG 4.02Å; M62-F435 HydrophobicContact SD-CZ 4.46Å; M62-Y438 HydrophobicContact SD-CD1 4.41Å; M62-A439 HydrophobicContact CB-CB 4.39Å; M62-A439 HydrophobicContact CG-CB 4.49Å; M62-A439 WeakPolarHBondContact O-CA 3.32Å; M62-I442 WeakPolarHBondContact O-CD1 3.44Å
63	G	98.7	Very high	98.8	Very high	33 Å²	33	21 Å²	21	34%	0.34	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	25.9	-178.4	0	0	0	0	0	114	F59 A60 E61 T65 I442	F59-G63 PolarHBondContact O-N 2.75Å; A60-G63 WeakPolarHBondContact O-CA 3.45Å; A60-G63 PolarHBondContact O-N 2.98Å; E61-G63 PolarHBondContact O-N 2.93Å; G63-T65 PolarHBondContact O-N 2.98Å; G63-I442 VanDerWaalsContact O-CG2 3.27Å; G63-I442 WeakPolarHBondContact O-CG2 3.35Å
64	F	98.8	Very high	98.8	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.026	12%	0.117	C	C	.	.			trans	-52.9	136.1	175.9	-80	23	0	0	0	110.4	F59 M62 L67 I105 P397 Y438 I442	F59-F64 HydrophobicContact CB-CB 4.33Å; F59-F64 HydrophobicContact CB-CD2 3.67Å; F59-F64 HydrophobicContact CB-CE2 4.11Å; F59-F64 HydrophobicContact CB-CG 4.01Å; F59-F64 HydrophobicContact CD1-CD2 4.22Å; F59-F64 AromaticContact CD1-CE2 3.76Å; F59-F64 HydrophobicContact CD1-CE2 3.76Å; F59-F64 HydrophobicContact CD1-CZ 4.24Å; F59-F64 HydrophobicContact CE1-CE2 4.44Å; F59-F64 AromaticContact CG-CD2 4Å; F59-F64 HydrophobicContact CG-CD2 4Å; F59-F64 HydrophobicContact CG-CE2 4Å; F59-F64 WeakPolarHBondContact O-CB 3.35Å; F59-F64 PolarHBondContact O-N 2.76Å; F59-F64 VanDerWaalsContact O-N 3.13Å; M62-F64 HydrophobicContact CB-CD1 3.86Å; M62-F64 HydrophobicContact CB-CE1 3.85Å; M62-F64 HydrophobicContact CE-CD1 4.35Å; M62-F64 HydrophobicContact CE-CE1 3.55Å; M62-F64 HydrophobicContact CE-CE2 4.38Å; M62-F64 HydrophobicContact CE-CZ 3.57Å; M62-F64 HydrophobicContact SD-CE1 4.01Å; M62-F64 HydrophobicContact SD-CZ 4.45Å; F64-L67 HydrophobicContact CD2-CD1 4.2Å; F64-L67 HydrophobicContact CE2-CD1 4.14Å; F64-I105 HydrophobicContact CB-CD1 4.12Å; F64-I105 HydrophobicContact CB-CG1 4.27Å; F64-P397 HydrophobicContact CE2-CB 3.92Å; F64-P397 HydrophobicContact CE2-CG 4.17Å; F64-P397 HydrophobicContact CZ-CB 3.74Å; F64-P397 HydrophobicContact CZ-CG 4.48Å; F64-Y438 HydrophobicContact CD1-CE1 4.45Å; F64-Y438 AromaticContact CE1-CD1 3.84Å; F64-Y438 HydrophobicContact CE1-CD1 3.84Å; F64-Y438 AromaticContact CE1-CE1 3.58Å; F64-Y438 HydrophobicContact CE1-CE1 3.58Å; F64-Y438 HydrophobicContact CZ-CE1 4.11Å; F64-I442 HydrophobicContact CD1-CD1 3.83Å; F64-I442 HydrophobicContact CE1-CD1 4.12Å
65	T	98.6	Very high	98.8	Very high	50 Å²	50	14.7 Å²	14.7	31%	0.307	10%	0.098	S	C	.	.	S	Bend	trans	-107.7	-14.3	171	62.1	0	0	0	0	111.8	W10 G63 K106	W10-T65 PolarHBondContact N-OG1 2.98Å; W10-T65 PolarHBondContact O-N 3.38Å; W10-T65 PolarHBondContact O-OG1 3.06Å; G63-T65 PolarHBondContact O-N 2.98Å; T65-K106 WeakPolarHBondContact O-CB 3.4Å; T65-K106 PolarHBondContact O-N 2.95Å
66	C	98.8	Very high	98.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.8	175.5	-174.4	0	0	0	0	110.5	L9 W10 G11 K106	L9-C66 HydrophobicContact CB-CB 3.88Å; L9-C66 HydrophobicContact CD2-CB 4.42Å; W10-C66 PolarHBondContact O-N 3.01Å; G11-C66 WeakPolarHBondContact CA-O 3.08Å; C66-K106 CarbonylContact C-O 3.46Å; C66-K106 VanDerWaalsContact CA-O 3.23Å; C66-K106 WeakPolarHBondContact CA-O 3.31Å
67	L	98.9	Very high	98.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.9	169.3	177.4	75.1	0	0	0	108.2	I56 F59 F64 I69 M100 I105 K106 L108 P397	I56-L67 HydrophobicContact CD1-CD2 3.5Å; F59-L67 HydrophobicContact CD2-CD1 3.94Å; F59-L67 HydrophobicContact CD2-CD2 3.74Å; F59-L67 HydrophobicContact CD2-CG 4.47Å; F59-L67 HydrophobicContact CE2-CD1 3.88Å; F59-L67 HydrophobicContact CE2-CD2 3.8Å; F59-L67 HydrophobicContact CG-CD1 4.46Å; F59-L67 HydrophobicContact CZ-CD1 4.35Å; F64-L67 HydrophobicContact CD2-CD1 4.2Å; F64-L67 HydrophobicContact CE2-CD1 4.14Å; L67-I69 HydrophobicContact CD2-CG2 4.07Å; L67-I69 HydrophobicContact CG-CG2 4.08Å; L67-M100 HydrophobicContact CB-CE 3.73Å; L67-M100 HydrophobicContact CD2-CE 4.13Å; L67-M100 HydrophobicContact CD2-SD 4.23Å; L67-M100 HydrophobicContact CG-CE 4.38Å; L67-I105 HydrophobicContact CB-CG2 3.58Å; L67-K106 PolarHBondContact N-O 3.15Å; L67-L108 PolarHBondContact O-N 3.06Å; L67-P397 HydrophobicContact CD1-CG 4.39Å
68	R	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129	173.4	173.3	178.2	167.9	-118.9	2.1	110.7	G12 A13 T14 L108 T110 H113 N158 V347 E348	G12-R68 PolarHBondContact O-N 2.93Å; A13-R68 CarbonylContact C-O 3.45Å; A13-R68 WeakPolarHBondContact CA-O 3.18Å; A13-R68 HydrophobicContact CB-CB 3.7Å; A13-R68 HydrophobicContact CB-CG 4.01Å; T14-R68 PolarHBondContact N-O 2.85Å; T14-R68 PolarHBondContact OG1-O 3.45Å; R68-L108 WeakPolarHBondContact CA-O 3.31Å; R68-L108 HydrophobicContact CB-CB 4.1Å; R68-L108 HydrophobicContact CB-CD2 4.02Å; R68-L108 HydrophobicContact CB-CG 4.15Å; R68-L108 HydrophobicContact CG-CD2 4.21Å; R68-L108 HydrophobicContact CG-CG 4.18Å; R68-T110 PolarHBondContact NE-OG1 2.88Å; R68-T110 VanDerWaalsContact NE-OG1 3.15Å; R68-T110 PolarHBondContact NH2-OG1 2.95Å; R68-H113 PolarHBondContact NH2-CE1 3.01Å; R68-H113 PolarHBondContact NH2-ND1 2.92Å; R68-N158 PolarHBondContact NH2-OD1 3.3Å; R68-V347 PolarHBondContact NH1-O 2.84Å; R68-E348 IonicContact CZ-OE1 3.96Å; R68-E348 IonicContact NH1-OE1 3.47Å; R68-E348 PolarHBondContact NH1-OE1 3.14Å; R68-E348 IonicContact NH2-OE1 2.7Å; R68-E348 PolarHBondContact NH2-OE1 2.88Å
69	I	98.8	Very high	98.7	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	170.4	172.5	68.2	167.5	0	0	0	109.5	L67 Y93 L96 F97 L108 V109 T110	L67-I69 HydrophobicContact CD2-CG2 4.07Å; L67-I69 HydrophobicContact CG-CG2 4.08Å; I69-Y93 HydrophobicContact CD1-CD1 4.45Å; I69-L96 HydrophobicContact CD1-CD2 3.48Å; I69-L96 VanDerWaalsContact CD1-CD2 3.48Å; I69-L96 HydrophobicContact CD1-CG 4.32Å; I69-F97 HydrophobicContact CD1-CD1 4.43Å; I69-F97 HydrophobicContact CD1-CE1 3.54Å; I69-F97 HydrophobicContact CD1-CZ 4.1Å; I69-F97 HydrophobicContact CG1-CE1 4.26Å; I69-L108 PolarHBondContact N-O 2.78Å; I69-V109 HydrophobicContact CG1-CG2 4.38Å; I69-V109 CarbonylContact O-C 3.59Å; I69-V109 WeakPolarHBondContact O-CA 3.21Å; I69-T110 PolarHBondContact O-N 2.93Å
70	S	98.8	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	156.6	160.5	59.8	0	0	0	0	110.9	A16 T110 E115	A16-S70 WeakPolarHBondContact CB-OG 3.5Å; A16-S70 PolarHBondContact N-OG 3.36Å; S70-T110 WeakPolarHBondContact CA-O 3.43Å; S70-T110 VanDerWaalsContact CB-O 3.28Å; S70-T110 WeakPolarHBondContact CB-O 3.49Å; S70-E115 VanDerWaalsContact CB-OE1 3.31Å; S70-E115 WeakPolarHBondContact CB-OE1 3.2Å; S70-E115 PolarHBondContact OG-OE1 2.85Å
71	I	98.9	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.			trans	-91.5	120.5	161.8	-69.4	170.3	0	0	0	106.2	W73 I76 Y93 F97 V109 T110 Y139 V143 Y147 W154	I71-W73 PolarHBondContact O-N 3.46Å; I71-I76 HydrophobicContact CG2-CD1 4.09Å; I71-I76 HydrophobicContact CG2-CG1 3.67Å; I71-Y93 HydrophobicContact CB-CE1 4.38Å; I71-Y93 HydrophobicContact CB-CE2 4.29Å; I71-Y93 HydrophobicContact CG1-CD1 3.92Å; I71-Y93 HydrophobicContact CG1-CD2 4.32Å; I71-Y93 HydrophobicContact CG1-CE1 4.08Å; I71-Y93 HydrophobicContact CG1-CE2 4.45Å; I71-Y93 HydrophobicContact CG1-CG 4.08Å; I71-Y93 HydrophobicContact CG2-CD2 3.89Å; I71-Y93 HydrophobicContact CG2-CE2 3.62Å; I71-Y93 HydrophobicContact CG2-CG 4.49Å; I71-F97 HydrophobicContact CD1-CE2 4.27Å; I71-F97 HydrophobicContact CD1-CZ 4.13Å; I71-F97 HydrophobicContact CG1-CZ 4.23Å; I71-V109 HydrophobicContact CB-CG1 4.44Å; I71-V109 HydrophobicContact CD1-CG1 3.67Å; I71-V109 HydrophobicContact CG1-CG1 3.69Å; I71-T110 PolarHBondContact N-O 3.26Å; I71-Y139 WeakPolarHBondContact CB-OH 3.4Å; I71-Y139 HydrophobicContact CG2-CE2 4.07Å; I71-Y139 VanDerWaalsContact CG2-OH 3.24Å; I71-Y139 WeakPolarHBondContact CG2-OH 3.5Å; I71-Y139 PolarHBondContact O-OH 2.68Å; I71-V143 HydrophobicContact CD1-CB 4.08Å; I71-V143 HydrophobicContact CD1-CG1 4.19Å; I71-V143 HydrophobicContact CD1-CG2 4.48Å; I71-V143 HydrophobicContact CG2-CG1 4.31Å; I71-Y147 HydrophobicContact CD1-CD2 3.85Å; I71-Y147 HydrophobicContact CD1-CE2 3.56Å; I71-W154 HydrophobicContact CD1-CZ3 4.29Å
72	A	98.7	Very high	98.7	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	9%	0.087	C	C	.	.			trans	-65.5	107.9	175.5	0	0	0	0	0	109.2	A16 A74 R75 Y93	A16-A72 HydrophobicContact CB-CB 3.91Å; A72-A74 PolarHBondContact O-N 3.32Å; A72-R75 HydrophobicContact CB-CB 4.34Å; A72-R75 HydrophobicContact CB-CG 3.91Å; A72-R75 WeakPolarHBondContact O-CB 3.4Å; A72-R75 PolarHBondContact O-N 3.35Å; A72-Y93 VanDerWaalsContact CB-OH 3.32Å; A72-Y93 WeakPolarHBondContact CB-OH 3.49Å; A72-Y93 PolarHBondContact N-OH 3.28Å
73	W	98.7	Very high	98.7	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-53.9	-42.2	-177.4	-174.8	0.9	0	0	0	111.4	I71 R75 I76 F77 M116 P117 L120 W127 V132 H135 F136 Y139	I71-W73 PolarHBondContact O-N 3.46Å; W73-R75 PolarHBondContact O-N 3.41Å; W73-R75 VanDerWaalsContact O-N 3.15Å; W73-I76 PolarHBondContact O-N 3.11Å; W73-F77 PolarHBondContact O-N 3.46Å; W73-M116 HydrophobicContact CE3-CB 3.9Å; W73-M116 HydrophobicContact CZ3-CB 3.98Å; W73-P117 HydrophobicContact CB-CG 4.24Å; W73-P117 HydrophobicContact CD2-CG 3.87Å; W73-P117 VanDerWaalsContact CE3-CD 3.49Å; W73-P117 VanDerWaalsContact CG-CD 3.48Å; W73-P117 HydrophobicContact CG-CG 3.7Å; W73-L120 HydrophobicContact CH2-CD1 3.41Å; W73-L120 VanDerWaalsContact CH2-CD1 3.41Å; W73-L120 HydrophobicContact CZ2-CD1 3.37Å; W73-L120 HydrophobicContact CZ3-CD1 4.13Å; W73-W127 HydrophobicContact CH2-CZ2 4.27Å; W73-W127 HydrophobicContact CZ3-CZ2 4.17Å; W73-V132 HydrophobicContact CH2-CG1 4.25Å; W73-H135 HydrophobicContact CZ2-CB 4.41Å; W73-F136 HydrophobicContact CE3-CD2 4.34Å; W73-F136 HydrophobicContact CH2-CB 3.81Å; W73-F136 AromaticContact CH2-CD2 3.93Å; W73-F136 HydrophobicContact CH2-CD2 3.93Å; W73-F136 HydrophobicContact CH2-CG 4.38Å; W73-F136 HydrophobicContact CZ2-CB 4.18Å; W73-F136 HydrophobicContact CZ2-CD2 4.42Å; W73-F136 AromaticContact CZ3-CD2 3.89Å; W73-F136 HydrophobicContact CZ3-CD2 3.89Å; W73-Y139 HydrophobicContact CB-CE1 4.1Å; W73-Y139 HydrophobicContact CB-CE2 4.43Å; W73-Y139 AromaticContact CD1-CD1 3.8Å; W73-Y139 AromaticContact CD1-CD2 3.66Å; W73-Y139 AromaticContact CD1-CG 3.5Å; W73-Y139 AromaticContact CD2-CD1 3.96Å; W73-Y139 HydrophobicContact CD2-CD1 3.96Å; W73-Y139 HydrophobicContact CD2-CE1 4.29Å; W73-Y139 HydrophobicContact CD2-CG 4.37Å; W73-Y139 AromaticContact CE2-CD1 3.99Å; W73-Y139 AromaticContact CG-CD1 3.87Å; W73-Y139 HydrophobicContact CG-CD1 3.87Å; W73-Y139 HydrophobicContact CG-CD2 4.31Å; W73-Y139 AromaticContact CG-CE1 3.95Å; W73-Y139 HydrophobicContact CG-CE1 3.95Å; W73-Y139 HydrophobicContact CG-CE2 4.39Å; W73-Y139 HydrophobicContact CG-CG 4.05Å; W73-Y139 AromaticContact NE1-CD1 3.9Å; W73-Y139 AromaticContact NE1-CG 3.55Å
74	A	98.5	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.3	-12.8	177.4	0	0	0	0	0	114.9	K28 G29 A72 P78 P117	K28-A74 HydrophobicContact CG-CB 4.46Å; G29-A74 PolarHBondContact N-O 3.13Å; G29-A74 WeakPolarHBondContact O-CB 3.28Å; A72-A74 PolarHBondContact O-N 3.32Å; A74-P78 WeakPolarHBondContact O-CA 3.38Å; A74-P117 HydrophobicContact CB-CB 4.47Å; A74-P117 HydrophobicContact CB-CG 4.3Å
75	R	98.7	Very high	98.7	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-77.7	-31.4	167.8	-71.8	-169.4	179.2	-72.3	-4.8	111.9	E20 G21 A22 K28 Y49 A72 W73 N86 Y93	E20-R75 IonicContact OE2-CZ 3.35Å; E20-R75 IonicContact OE2-NE 3.75Å; E20-R75 PolarHBondContact OE2-NE 3.04Å; E20-R75 IonicContact OE2-NH2 3.93Å; G21-R75 PolarHBondContact O-NH2 3.11Å; A22-R75 PolarHBondContact O-NH1 3.4Å; A22-R75 PolarHBondContact O-NH2 3.5Å; K28-R75 HydrophobicContact CB-CG 3.93Å; K28-R75 HydrophobicContact CD-CG 3.6Å; K28-R75 HydrophobicContact CG-CG 3.64Å; Y49-R75 VanDerWaalsContact CE2-CZ 3.47Å; A72-R75 HydrophobicContact CB-CB 4.34Å; A72-R75 HydrophobicContact CB-CG 3.91Å; A72-R75 WeakPolarHBondContact O-CB 3.4Å; A72-R75 PolarHBondContact O-N 3.35Å; W73-R75 PolarHBondContact O-N 3.41Å; W73-R75 VanDerWaalsContact O-N 3.15Å; R75-N86 WeakPolarHBondContact O-CB 3.3Å; R75-N86 PolarHBondContact O-ND2 3.03Å; R75-Y93 HydrophobicContact CB-CE2 4.3Å
76	I	98.9	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-91.2	-44.7	-175.8	-47.7	-48.8	0	0	0	111	I71 W73 P85 N86 L90 Y93 Y139 T142 V143	I71-I76 HydrophobicContact CG2-CD1 4.09Å; I71-I76 HydrophobicContact CG2-CG1 3.67Å; W73-I76 PolarHBondContact O-N 3.11Å; I76-P85 HydrophobicContact CG2-CB 3.88Å; I76-P85 CarbonylContact O-C 3.56Å; I76-P85 WeakPolarHBondContact O-CA 3.17Å; I76-N86 PolarHBondContact O-N 2.75Å; I76-L90 HydrophobicContact CD1-CD2 3.93Å; I76-L90 HydrophobicContact CD1-CG 4.27Å; I76-L90 HydrophobicContact CG2-CD2 3.85Å; I76-L90 HydrophobicContact CG2-CG 4.29Å; I76-Y93 HydrophobicContact CD1-CD2 3.95Å; I76-Y93 HydrophobicContact CD1-CE2 4.09Å; I76-Y139 HydrophobicContact CB-CD2 4.11Å; I76-Y139 HydrophobicContact CB-CE2 4.03Å; I76-Y139 HydrophobicContact CG1-CD2 4.42Å; I76-Y139 HydrophobicContact CG1-CE2 3.85Å; I76-Y139 HydrophobicContact CG2-CD2 4.22Å; I76-Y139 HydrophobicContact CG2-CE2 4.45Å; I76-T142 HydrophobicContact CG2-CG2 4.33Å; I76-V143 HydrophobicContact CG1-CG1 4.27Å; I76-V143 HydrophobicContact CG2-CG1 4.4Å
77	F	98.9	Very high	98.7	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.161	C	C	.	.	S	Bend	trans	-128.5	91.2	175.3	-67.3	-86.1	0	0	0	108.5	W73 Q79 G80 E82 P85 P117 H138 Y139 T142	W73-F77 PolarHBondContact O-N 3.46Å; F77-Q79 PolarHBondContact O-N 3.47Å; F77-G80 WeakPolarHBondContact O-CA 3.32Å; F77-G80 PolarHBondContact O-N 3.48Å; F77-E82 HydrophobicContact CD1-CB 4.13Å; F77-E82 VanDerWaalsContact CD1-O 3.31Å; F77-E82 WeakPolarHBondContact CD1-O 3.18Å; F77-E82 VanDerWaalsContact CE1-O 3.24Å; F77-E82 WeakPolarHBondContact CE1-O 3.34Å; F77-P85 HydrophobicContact CE1-CB 4.16Å; F77-P85 HydrophobicContact CE2-CB 4.17Å; F77-P85 HydrophobicContact CZ-CB 3.79Å; F77-P117 WeakPolarHBondContact O-CG 3.47Å; F77-H138 AromaticContact CE1-CD2 3.51Å; F77-H138 AromaticContact CE1-NE2 3.47Å; F77-H138 WeakPolarHBondContact CE1-NE2 3.3Å; F77-H138 AromaticContact CZ-CD2 3.49Å; F77-H138 VanDerWaalsContact CZ-CD2 3.49Å; F77-H138 WeakPolarHBondContact CZ-CD2 3.38Å; F77-H138 AromaticContact CZ-NE2 3.48Å; F77-H138 WeakPolarHBondContact CZ-NE2 3.27Å; F77-Y139 AromaticContact CD2-CD2 3.93Å; F77-Y139 HydrophobicContact CD2-CD2 3.93Å; F77-Y139 HydrophobicContact CD2-CG 4.36Å; F77-Y139 HydrophobicContact CE2-CD2 4.2Å; F77-T142 HydrophobicContact CE2-CG2 4.17Å; F77-T142 HydrophobicContact CZ-CG2 4.24Å
78	P	98.6	Very high	98.7	Very high	21 Å²	21	32.8 Å²	32.8	14%	0.136	18%	0.175	C	C	.	.	S	Bend	trans	-55.2	-39.6	-173.1	-31	37.6	0	0	0	116	G27 A74 E82 N86	G27-P78 WeakPolarHBondContact O-CG 3.42Å; A74-P78 WeakPolarHBondContact O-CA 3.38Å; P78-E82 WeakPolarHBondContact CB-OE1 3.4Å; P78-E82 VanDerWaalsContact CD-OE1 3.24Å; P78-E82 WeakPolarHBondContact CD-OE1 3.4Å; P78-N86 HydrophobicContact CG-CB 4.32Å
79	Q	98.4	Very high	98.7	Very high	88 Å²	88	32.8 Å²	32.8	41%	0.411	18%	0.175	S	C	.	.	S	Bend	trans	-94	-21.3	171.6	-59.6	-54.4	-56.7	0	0	111.7	F77 D81 E82 G119 L120	F77-Q79 PolarHBondContact O-N 3.47Å; Q79-D81 VanDerWaalsContact C-N 3.33Å; Q79-D81 WeakPolarHBondContact CB-OD1 3.3Å; Q79-E82 WeakPolarHBondContact CB-OE1 3.25Å; Q79-E82 VanDerWaalsContact N-CD 3.27Å; Q79-E82 PolarHBondContact N-OE1 2.64Å; Q79-E82 PolarHBondContact N-OE2 2.99Å; Q79-E82 VanDerWaalsContact N-OE2 3.12Å; Q79-G119 CarbonylContact O-C 3.52Å; Q79-G119 VanDerWaalsContact O-C 3.31Å; Q79-G119 VanDerWaalsContact O-CA 3.28Å; Q79-G119 WeakPolarHBondContact O-CA 3.3Å; Q79-L120 PolarHBondContact O-N 3.29Å; Q79-L120 VanDerWaalsContact O-N 3.11Å
80	G	98.5	Very high	98.7	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	93	-11.8	176.9	0	0	0	0	0	113.6	F77 E82 H135	F77-G80 WeakPolarHBondContact O-CA 3.32Å; F77-G80 PolarHBondContact O-N 3.48Å; G80-E82 PolarHBondContact N-OE2 3.29Å; G80-H135 WeakPolarHBondContact O-CB 3.46Å
81	D	98.4	Very high	98.7	Very high	52 Å²	52	34.1 Å²	34.1	28%	0.278	19%	0.186	S	C	.	.			trans	-118.9	10.2	-178.9	67.2	-17	0	0	0	113.7	Q79 L120 Y124 H135	Q79-D81 VanDerWaalsContact C-N 3.33Å; Q79-D81 WeakPolarHBondContact CB-OD1 3.3Å; D81-L120 HydrophobicContact CB-CD2 4.29Å; D81-Y124 HydrophobicContact CB-CE2 3.9Å; D81-Y124 VanDerWaalsContact OD2-CE2 3.3Å; D81-Y124 WeakPolarHBondContact OD2-CE2 3.44Å; D81-Y124 PolarHBondContact OD2-OH 2.9Å; D81-H135 WeakPolarHBondContact CB-CE1 3.37Å
82	E	98.5	Very high	98.7	Very high	54 Å²	54	34.1 Å²	34.1	25%	0.252	19%	0.186	S	C	.	.			trans	-65	145.6	171.8	-57.1	96.6	148.3	0	0	111.7	F77 P78 Q79 G80	F77-E82 HydrophobicContact CD1-CB 4.13Å; F77-E82 VanDerWaalsContact CD1-O 3.31Å; F77-E82 WeakPolarHBondContact CD1-O 3.18Å; F77-E82 VanDerWaalsContact CE1-O 3.24Å; F77-E82 WeakPolarHBondContact CE1-O 3.34Å; P78-E82 WeakPolarHBondContact CB-OE1 3.4Å; P78-E82 VanDerWaalsContact CD-OE1 3.24Å; P78-E82 WeakPolarHBondContact CD-OE1 3.4Å; Q79-E82 WeakPolarHBondContact CB-OE1 3.25Å; Q79-E82 VanDerWaalsContact N-CD 3.27Å; Q79-E82 PolarHBondContact N-OE1 2.64Å; Q79-E82 PolarHBondContact N-OE2 2.99Å; Q79-E82 VanDerWaalsContact N-OE2 3.12Å; G80-E82 PolarHBondContact N-OE2 3.29Å
83	V	98.1	Very high	98.7	Very high	112 Å²	112	34 Å²	34	68%	0.679	19%	0.185	S	C	*	.	S	Bend	trans	-72.4	-46.8	176.8	178.7	0	0	0	0	110.9	H138	V83-H138 PolarHBondContact O-CE1 3.42Å; V83-H138 PolarHBondContact O-NE2 3.27Å
84	E	98.5	Very high	98.7	Very high	150 Å²	150	34.9 Å²	34.9	70%	0.701	19%	0.19	S	C	*	.	S	Bend	trans	-99.6	139.1	-179.4	-63	-60.1	147.6	0	0	110.4
85	P	98.7	Very high	98.7	Very high	34 Å²	34	39.9 Å²	39.9	22%	0.221	21%	0.208	C	C	.	.			trans	-72.5	157.4	177.4	31.6	-35.6	0	0	0	111.9	I76 F77 E87 L90 T142	I76-P85 HydrophobicContact CG2-CB 3.88Å; I76-P85 CarbonylContact O-C 3.56Å; I76-P85 WeakPolarHBondContact O-CA 3.17Å; F77-P85 HydrophobicContact CE1-CB 4.16Å; F77-P85 HydrophobicContact CE2-CB 4.17Å; F77-P85 HydrophobicContact CZ-CB 3.79Å; P85-E87 PolarHBondContact O-N 3.09Å; P85-L90 HydrophobicContact CB-CD1 3.82Å; P85-L90 HydrophobicContact CB-CG 4.42Å; P85-L90 HydrophobicContact CG-CD1 3.69Å; P85-T142 HydrophobicContact CB-CG2 3.91Å; P85-T142 HydrophobicContact CG-CG2 3.9Å
86	N	98.8	Very high	98.7	Very high	36 Å²	36	39.8 Å²	39.8	19%	0.193	21%	0.208	C	C	.	.			trans	-72.9	106.1	167	174.9	19.7	0	0	0	110.6	D26 R75 I76 P78 A88 G89 L90	D26-N86 PolarHBondContact O-ND2 2.95Å; R75-N86 WeakPolarHBondContact O-CB 3.3Å; R75-N86 PolarHBondContact O-ND2 3.03Å; I76-N86 PolarHBondContact O-N 2.75Å; P78-N86 HydrophobicContact CG-CB 4.32Å; N86-A88 PolarHBondContact O-N 2.79Å; N86-A88 PolarHBondContact OD1-N 2.87Å; N86-A88 VanDerWaalsContact OD1-N 3.14Å; N86-G89 PolarHBondContact O-N 2.89Å; N86-L90 PolarHBondContact O-N 2.81Å; N86-L90 VanDerWaalsContact O-N 3.13Å
87	E	98.8	Very high	98.7	Very high	96 Å²	96	40 Å²	40	45%	0.449	21%	0.209	S	C	.	.	H	α-helix	trans	-60.5	-31.4	180	-178.3	60	-157.8	0	0	112.8	P85 G89 L90 A91 R146	P85-E87 PolarHBondContact O-N 3.09Å; E87-G89 VanDerWaalsContact C-N 3.34Å; E87-G89 PolarHBondContact O-N 2.66Å; E87-L90 PolarHBondContact O-N 2.67Å; E87-A91 VanDerWaalsContact O-CB 3.25Å; E87-A91 WeakPolarHBondContact O-CB 3.33Å; E87-A91 PolarHBondContact O-N 2.99Å; E87-R146 IonicContact OE1-CZ 3.71Å; E87-R146 VanDerWaalsContact OE1-CZ 3.3Å; E87-R146 IonicContact OE1-NH1 2.79Å; E87-R146 PolarHBondContact OE1-NH1 2.94Å; E87-R146 IonicContact OE1-NH2 3.64Å; E87-R146 PolarHBondContact OE1-NH2 2.97Å; E87-R146 IonicContact OE2-NH1 2.68Å; E87-R146 PolarHBondContact OE2-NH1 3.3Å
88	A	98.7	Very high	98.7	Very high	34 Å²	34	43.1 Å²	43.1	28%	0.281	23%	0.226	S	C	.	.	H	α-helix	trans	-66.9	-39.4	179.1	0	0	0	0	0	111.4	D26 N86 A91 F92	D26-A88 HydrophobicContact CB-CB 3.81Å; N86-A88 PolarHBondContact O-N 2.79Å; N86-A88 PolarHBondContact OD1-N 2.87Å; N86-A88 VanDerWaalsContact OD1-N 3.14Å; A88-A91 PolarHBondContact O-N 3.37Å; A88-F92 PolarHBondContact O-N 2.88Å
89	G	98.8	Very high	98.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-43.8	171	0	0	0	0	0	112.5	N86 E87 F92 Y93	N86-G89 PolarHBondContact O-N 2.89Å; E87-G89 VanDerWaalsContact C-N 3.34Å; E87-G89 PolarHBondContact O-N 2.66Å; G89-F92 PolarHBondContact O-N 3.1Å; G89-Y93 VanDerWaalsContact O-CD2 3.23Å; G89-Y93 WeakPolarHBondContact O-CD2 3.49Å; G89-Y93 PolarHBondContact O-N 3.28Å
90	L	98.9	Very high	98.7	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-45.9	175.4	-68.6	172.1	0	0	0	112	I76 P85 N86 E87 F92 Y93 D94 T142 R146 Y147	I76-L90 HydrophobicContact CD1-CD2 3.93Å; I76-L90 HydrophobicContact CD1-CG 4.27Å; I76-L90 HydrophobicContact CG2-CD2 3.85Å; I76-L90 HydrophobicContact CG2-CG 4.29Å; P85-L90 HydrophobicContact CB-CD1 3.82Å; P85-L90 HydrophobicContact CB-CG 4.42Å; P85-L90 HydrophobicContact CG-CD1 3.69Å; N86-L90 PolarHBondContact O-N 2.81Å; N86-L90 VanDerWaalsContact O-N 3.13Å; E87-L90 PolarHBondContact O-N 2.67Å; L90-F92 VanDerWaalsContact C-N 3.28Å; L90-F92 PolarHBondContact O-N 3.47Å; L90-Y93 PolarHBondContact O-N 3.35Å; L90-D94 PolarHBondContact O-N 2.97Å; L90-T142 HydrophobicContact CD2-CG2 4.29Å; L90-R146 HydrophobicContact CD2-CB 4.31Å; L90-R146 HydrophobicContact CD2-CG 4.19Å; L90-Y147 VanDerWaalsContact CA-OH 3.28Å; L90-Y147 WeakPolarHBondContact CA-OH 3.48Å; L90-Y147 HydrophobicContact CD2-CE2 4.49Å; L90-Y147 WeakPolarHBondContact CD2-OH 3.44Å; L90-Y147 PolarHBondContact O-OH 3.25Å; L90-Y147 VanDerWaalsContact O-OH 3.07Å
91	A	98.8	Very high	98.7	Very high	25 Å²	25	43.6 Å²	43.6	21%	0.207	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-30.1	-179	0	0	0	0	0	112.8	E87 A88 R95	E87-A91 VanDerWaalsContact O-CB 3.25Å; E87-A91 WeakPolarHBondContact O-CB 3.33Å; E87-A91 PolarHBondContact O-N 2.99Å; A88-A91 PolarHBondContact O-N 3.37Å; A91-R95 VanDerWaalsContact C-NH1 3.32Å; A91-R95 WeakPolarHBondContact O-CG 3.23Å; A91-R95 PolarHBondContact O-N 3.1Å; A91-R95 PolarHBondContact O-NH1 3.32Å
92	F	98.8	Very high	98.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-53.8	172.2	164.2	-109.2	0	0	0	111.6	Y49 Y52 A88 G89 L90 D94 R95 L96	Y49-F92 HydrophobicContact CD2-CD1 4.01Å; Y49-F92 AromaticContact CD2-CD2 3.6Å; Y49-F92 HydrophobicContact CD2-CD2 3.6Å; Y49-F92 AromaticContact CD2-CE1 3.79Å; Y49-F92 HydrophobicContact CD2-CE1 3.79Å; Y49-F92 AromaticContact CD2-CE2 3.37Å; Y49-F92 HydrophobicContact CD2-CE2 3.37Å; Y49-F92 AromaticContact CD2-CG 3.91Å; Y49-F92 HydrophobicContact CD2-CG 3.91Å; Y49-F92 AromaticContact CD2-CZ 3.48Å; Y49-F92 HydrophobicContact CD2-CZ 3.48Å; Y49-F92 VanDerWaalsContact CD2-CZ 3.48Å; Y49-F92 HydrophobicContact CE2-CB 3.89Å; Y49-F92 AromaticContact CE2-CD1 3.63Å; Y49-F92 HydrophobicContact CE2-CD1 3.63Å; Y49-F92 AromaticContact CE2-CD2 3.25Å; Y49-F92 HydrophobicContact CE2-CD2 3.25Å; Y49-F92 AromaticContact CE2-CE1 3.92Å; Y49-F92 HydrophobicContact CE2-CE1 3.92Å; Y49-F92 AromaticContact CE2-CE2 3.59Å; Y49-F92 HydrophobicContact CE2-CE2 3.59Å; Y49-F92 AromaticContact CE2-CG 3.27Å; Y49-F92 HydrophobicContact CE2-CG 3.27Å; Y49-F92 AromaticContact CE2-CZ 3.91Å; Y49-F92 HydrophobicContact CE2-CZ 3.91Å; Y49-F92 HydrophobicContact CG-CD2 4.37Å; Y49-F92 HydrophobicContact CG-CE2 4Å; Y49-F92 HydrophobicContact CG-CZ 4.32Å; Y49-F92 AromaticContact CZ-CD2 3.8Å; Y49-F92 AromaticContact CZ-CG 3.98Å; Y49-F92 WeakPolarHBondContact O-CE2 3.33Å; Y52-F92 HydrophobicContact CD1-CE2 4.09Å; Y52-F92 HydrophobicContact CE1-CE2 4.34Å; A88-F92 PolarHBondContact O-N 2.88Å; G89-F92 PolarHBondContact O-N 3.1Å; L90-F92 VanDerWaalsContact C-N 3.28Å; L90-F92 PolarHBondContact O-N 3.47Å; F92-D94 VanDerWaalsContact C-N 3.27Å; F92-D94 PolarHBondContact O-N 3.49Å; F92-R95 PolarHBondContact O-N 3.33Å; F92-R95 VanDerWaalsContact O-N 3.1Å; F92-L96 HydrophobicContact CE1-CD2 4.46Å; F92-L96 HydrophobicContact CZ-CD2 4.29Å; F92-L96 PolarHBondContact O-N 3Å
93	Y	98.9	Very high	98.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-29.8	-179.9	-70.2	-70.6	0	0	0	112.3	E20 I69 I71 A72 R75 I76 G89 L90 R95 L96 F97 Y147	E20-Y93 WeakPolarHBondContact OE1-CE1 3.37Å; E20-Y93 PolarHBondContact OE1-OH 2.95Å; E20-Y93 PolarHBondContact OE2-OH 3.04Å; I69-Y93 HydrophobicContact CD1-CD1 4.45Å; I71-Y93 HydrophobicContact CB-CE1 4.38Å; I71-Y93 HydrophobicContact CB-CE2 4.29Å; I71-Y93 HydrophobicContact CG1-CD1 3.92Å; I71-Y93 HydrophobicContact CG1-CD2 4.32Å; I71-Y93 HydrophobicContact CG1-CE1 4.08Å; I71-Y93 HydrophobicContact CG1-CE2 4.45Å; I71-Y93 HydrophobicContact CG1-CG 4.08Å; I71-Y93 HydrophobicContact CG2-CD2 3.89Å; I71-Y93 HydrophobicContact CG2-CE2 3.62Å; I71-Y93 HydrophobicContact CG2-CG 4.49Å; A72-Y93 VanDerWaalsContact CB-OH 3.32Å; A72-Y93 WeakPolarHBondContact CB-OH 3.49Å; A72-Y93 PolarHBondContact N-OH 3.28Å; R75-Y93 HydrophobicContact CB-CE2 4.3Å; I76-Y93 HydrophobicContact CD1-CD2 3.95Å; I76-Y93 HydrophobicContact CD1-CE2 4.09Å; G89-Y93 VanDerWaalsContact O-CD2 3.23Å; G89-Y93 WeakPolarHBondContact O-CD2 3.49Å; G89-Y93 PolarHBondContact O-N 3.28Å; L90-Y93 PolarHBondContact O-N 3.35Å; Y93-R95 VanDerWaalsContact C-N 3.35Å; Y93-R95 PolarHBondContact O-N 2.87Å; Y93-L96 HydrophobicContact CD1-CD2 4.14Å; Y93-L96 HydrophobicContact CE1-CD2 4.43Å; Y93-L96 PolarHBondContact O-N 2.72Å; Y93-F97 HydrophobicContact CD1-CZ 4.45Å; Y93-F97 WeakPolarHBondContact O-CB 3.43Å; Y93-F97 WeakPolarHBondContact O-CD2 3.21Å; Y93-F97 WeakPolarHBondContact O-CG 3.02Å; Y93-F97 PolarHBondContact O-N 3.07Å; Y93-Y147 WeakPolarHBondContact CB-OH 3.23Å
94	D	98.9	Very high	98.7	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-49.8	169	-92.7	-43.6	0	0	0	112.4	L90 F92 F97 D98 R146 K150	L90-D94 PolarHBondContact O-N 2.97Å; F92-D94 VanDerWaalsContact C-N 3.27Å; F92-D94 PolarHBondContact O-N 3.49Å; D94-F97 PolarHBondContact O-N 2.87Å; D94-D98 WeakPolarHBondContact O-CB 3.38Å; D94-D98 PolarHBondContact O-N 3.01Å; D94-D98 VanDerWaalsContact O-OD2 3.13Å; D94-R146 IonicContact OD1-NE 3.71Å; D94-R146 IonicContact OD2-CZ 2.99Å; D94-R146 IonicContact OD2-NE 3.68Å; D94-R146 PolarHBondContact OD2-NE 3.43Å; D94-R146 IonicContact OD2-NH2 2.64Å; D94-R146 PolarHBondContact OD2-NH2 2.84Å; D94-K150 PolarHBondContact O-NZ 2.81Å; D94-K150 WeakPolarHBondContact OD1-CE 3.23Å; D94-K150 IonicContact OD1-NZ 3.37Å; D94-K150 PolarHBondContact OD1-NZ 3.26Å
95	R	98.8	Very high	98.7	Very high	104 Å²	104	37.6 Å²	37.6	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-40.8	179.4	-65.2	-173.6	-56.9	-87.7	10.7	111.6	Y52 A91 F92 Y93 D98 E99	Y52-R95 WeakPolarHBondContact OH-CB 3.49Å; A91-R95 VanDerWaalsContact C-NH1 3.32Å; A91-R95 WeakPolarHBondContact O-CG 3.23Å; A91-R95 PolarHBondContact O-N 3.1Å; A91-R95 PolarHBondContact O-NH1 3.32Å; F92-R95 PolarHBondContact O-N 3.33Å; F92-R95 VanDerWaalsContact O-N 3.1Å; Y93-R95 VanDerWaalsContact C-N 3.35Å; Y93-R95 PolarHBondContact O-N 2.87Å; R95-D98 PolarHBondContact O-N 2.77Å; R95-E99 WeakPolarHBondContact O-CB 3.47Å; R95-E99 PolarHBondContact O-N 2.99Å
96	L	98.9	Very high	98.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-48.4	176.4	176.8	57.7	0	0	0	111.4	F48 Y52 I56 I69 F92 Y93 D98 E99 M100	F48-L96 HydrophobicContact CE1-CD1 3.85Å; F48-L96 HydrophobicContact CE1-CD2 4.09Å; F48-L96 HydrophobicContact CZ-CD1 4Å; Y52-L96 HydrophobicContact CD2-CB 4.49Å; Y52-L96 HydrophobicContact CD2-CD1 3.6Å; Y52-L96 HydrophobicContact CE2-CD1 4.47Å; Y52-L96 HydrophobicContact CG-CD1 3.8Å; I56-L96 HydrophobicContact CD1-CD1 4.28Å; I56-L96 HydrophobicContact CG1-CD1 4.25Å; I69-L96 HydrophobicContact CD1-CD2 3.48Å; I69-L96 VanDerWaalsContact CD1-CD2 3.48Å; I69-L96 HydrophobicContact CD1-CG 4.32Å; F92-L96 HydrophobicContact CE1-CD2 4.46Å; F92-L96 HydrophobicContact CZ-CD2 4.29Å; F92-L96 PolarHBondContact O-N 3Å; Y93-L96 HydrophobicContact CD1-CD2 4.14Å; Y93-L96 HydrophobicContact CE1-CD2 4.43Å; Y93-L96 PolarHBondContact O-N 2.72Å; L96-D98 VanDerWaalsContact C-N 3.34Å; L96-D98 PolarHBondContact O-N 2.87Å; L96-E99 WeakPolarHBondContact O-CB 3.41Å; L96-E99 PolarHBondContact O-N 2.53Å; L96-M100 HydrophobicContact CD1-SD 4.5Å; L96-M100 HydrophobicContact CG-SD 4.36Å; L96-M100 WeakPolarHBondContact O-CG 3.41Å; L96-M100 PolarHBondContact O-N 2.84Å
97	F	98.9	Very high	98.7	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-33.3	178.3	-63.3	-39.7	0	0	0	112.7	I69 I71 Y93 D94 M100 A101 P107 V109 Y147 K150 V151	I69-F97 HydrophobicContact CD1-CD1 4.43Å; I69-F97 HydrophobicContact CD1-CE1 3.54Å; I69-F97 HydrophobicContact CD1-CZ 4.1Å; I69-F97 HydrophobicContact CG1-CE1 4.26Å; I71-F97 HydrophobicContact CD1-CE2 4.27Å; I71-F97 HydrophobicContact CD1-CZ 4.13Å; I71-F97 HydrophobicContact CG1-CZ 4.23Å; Y93-F97 HydrophobicContact CD1-CZ 4.45Å; Y93-F97 WeakPolarHBondContact O-CB 3.43Å; Y93-F97 WeakPolarHBondContact O-CD2 3.21Å; Y93-F97 WeakPolarHBondContact O-CG 3.02Å; Y93-F97 PolarHBondContact O-N 3.07Å; D94-F97 PolarHBondContact O-N 2.87Å; F97-M100 HydrophobicContact CD1-SD 4.05Å; F97-M100 PolarHBondContact O-N 3.29Å; F97-A101 WeakPolarHBondContact O-CB 3.15Å; F97-A101 PolarHBondContact O-N 3.47Å; F97-P107 HydrophobicContact CD1-CB 3.78Å; F97-P107 HydrophobicContact CD1-CG 4.11Å; F97-P107 HydrophobicContact CE1-CB 3.8Å; F97-P107 HydrophobicContact CE1-CG 4.46Å; F97-V109 HydrophobicContact CE1-CG2 3.73Å; F97-V109 HydrophobicContact CZ-CG2 3.64Å; F97-Y147 AromaticContact CD2-CD1 3.65Å; F97-Y147 HydrophobicContact CD2-CD1 3.65Å; F97-Y147 HydrophobicContact CD2-CE1 4.03Å; F97-Y147 AromaticContact CD2-CG 3.92Å; F97-Y147 HydrophobicContact CD2-CG 3.92Å; F97-Y147 AromaticContact CE2-CD1 3.76Å; F97-Y147 HydrophobicContact CE2-CD1 3.76Å; F97-Y147 AromaticContact CE2-CD2 3.81Å; F97-Y147 HydrophobicContact CE2-CD2 3.81Å; F97-Y147 HydrophobicContact CE2-CE1 4.01Å; F97-Y147 HydrophobicContact CE2-CE2 4.07Å; F97-Y147 AromaticContact CE2-CG 3.67Å; F97-Y147 HydrophobicContact CE2-CG 3.67Å; F97-K150 HydrophobicContact CB-CB 4.14Å; F97-K150 HydrophobicContact CB-CD 3.92Å; F97-V151 HydrophobicContact CD1-CG2 4.21Å; F97-V151 HydrophobicContact CD2-CG2 3.97Å; F97-V151 HydrophobicContact CE1-CG2 4.02Å; F97-V151 HydrophobicContact CE2-CG2 3.79Å; F97-V151 HydrophobicContact CG-CG2 4.2Å; F97-V151 HydrophobicContact CZ-CG2 3.83Å
98	D	98.8	Very high	98.7	Very high	67 Å²	67	36.2 Å²	36.2	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-65.6	-39.5	173.7	-73.6	-25.2	0	0	0	111.7	D94 R95 L96 A101 Q102 K150	D94-D98 WeakPolarHBondContact O-CB 3.38Å; D94-D98 PolarHBondContact O-N 3.01Å; D94-D98 VanDerWaalsContact O-OD2 3.13Å; R95-D98 PolarHBondContact O-N 2.77Å; L96-D98 VanDerWaalsContact C-N 3.34Å; L96-D98 PolarHBondContact O-N 2.87Å; D98-A101 PolarHBondContact O-N 3.18Å; D98-Q102 VanDerWaalsContact O-CG 3.26Å; D98-Q102 WeakPolarHBondContact O-CG 3.41Å; D98-Q102 PolarHBondContact O-N 2.97Å; D98-Q102 PolarHBondContact O-NE2 3Å; D98-K150 WeakPolarHBondContact OD1-CE 3.46Å; D98-K150 IonicContact OD1-NZ 3.29Å; D98-K150 PolarHBondContact OD1-NZ 3.13Å; D98-K150 IonicContact OD2-NZ 3.61Å; D98-K150 PolarHBondContact OD2-NZ 2.82Å
99	E	98.8	Very high	98.7	Very high	53 Å²	53	34.6 Å²	34.6	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-44.2	175	-163.5	68.6	-143.6	0	0	111.5	Y52 P53 I56 R95 L96 A101 Q102 A103	Y52-E99 HydrophobicContact CD2-CB 4.05Å; Y52-E99 HydrophobicContact CD2-CG 4.06Å; Y52-E99 HydrophobicContact CE2-CB 3.67Å; Y52-E99 HydrophobicContact CE2-CG 3.87Å; P53-E99 HydrophobicContact CB-CG 4.48Å; I56-E99 HydrophobicContact CB-CG 4.11Å; I56-E99 HydrophobicContact CG1-CG 4.28Å; I56-E99 HydrophobicContact CG2-CG 4.01Å; R95-E99 WeakPolarHBondContact O-CB 3.47Å; R95-E99 PolarHBondContact O-N 2.99Å; L96-E99 WeakPolarHBondContact O-CB 3.41Å; L96-E99 PolarHBondContact O-N 2.53Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.38Å; E99-Q102 PolarHBondContact O-N 3.47Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 3.33Å
100	M	98.7	Very high	98.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-44.3	174	-69.6	176.5	61.6	0	0	111.7	I56 L67 L96 F97 A103 G104 I105 P107	I56-M100 HydrophobicContact CD1-CG 3.67Å; I56-M100 HydrophobicContact CG1-CG 4.27Å; L67-M100 HydrophobicContact CB-CE 3.73Å; L67-M100 HydrophobicContact CD2-CE 4.13Å; L67-M100 HydrophobicContact CD2-SD 4.23Å; L67-M100 HydrophobicContact CG-CE 4.38Å; L96-M100 HydrophobicContact CD1-SD 4.5Å; L96-M100 HydrophobicContact CG-SD 4.36Å; L96-M100 WeakPolarHBondContact O-CG 3.41Å; L96-M100 PolarHBondContact O-N 2.84Å; F97-M100 HydrophobicContact CD1-SD 4.05Å; F97-M100 PolarHBondContact O-N 3.29Å; M100-A103 CarbonylContact O-C 3.52Å; M100-A103 PolarHBondContact O-N 3.16Å; M100-G104 PolarHBondContact O-N 2.73Å; M100-G104 VanDerWaalsContact O-N 3.13Å; M100-I105 CarbonylContact C-O 3.59Å; M100-I105 HydrophobicContact CB-CB 4.35Å; M100-I105 HydrophobicContact CE-CG2 3.89Å; M100-I105 PolarHBondContact O-N 2.94Å; M100-P107 VanDerWaalsContact CE-CA 3.43Å; M100-P107 HydrophobicContact CE-CB 3.6Å; M100-P107 HydrophobicContact CE-CG 4.46Å; M100-P107 HydrophobicContact SD-CB 4.27Å
101	A	98.5	Very high	98.7	Very high	68 Å²	68	34.2 Å²	34.2	56%	0.562	19%	0.194	S	C	*	.	H	α-helix	trans	-63.5	-41	177.7	0	0	0	0	0	112	F97 D98 E99 A103 G104	F97-A101 WeakPolarHBondContact O-CB 3.15Å; F97-A101 PolarHBondContact O-N 3.47Å; D98-A101 PolarHBondContact O-N 3.18Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.38Å; A101-A103 VanDerWaalsContact C-N 3.28Å; A101-A103 PolarHBondContact O-N 3.44Å; A101-G104 PolarHBondContact O-N 3.06Å
102	Q	98.4	Very high	98.7	Very high	150 Å²	150	33.6 Å²	33.6	70%	0.701	19%	0.188	S	C	*	.	H	α-helix	trans	-61.3	-36.6	174	-74.5	172.8	53.6	0	0	112.2	D98 E99 G104	D98-Q102 VanDerWaalsContact O-CG 3.26Å; D98-Q102 WeakPolarHBondContact O-CG 3.41Å; D98-Q102 PolarHBondContact O-N 2.97Å; D98-Q102 PolarHBondContact O-NE2 3Å; E99-Q102 PolarHBondContact O-N 3.47Å; Q102-G104 PolarHBondContact O-N 2.87Å
103	A	98.4	Very high	98.7	Very high	34 Å²	34	33.7 Å²	33.7	28%	0.281	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.2	174.2	0	0	0	0	0	114.3	I56 A60 E99 M100 A101 I105	I56-A103 HydrophobicContact CG2-CB 3.69Å; A60-A103 HydrophobicContact CB-CB 3.89Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 3.33Å; M100-A103 CarbonylContact O-C 3.52Å; M100-A103 PolarHBondContact O-N 3.16Å; A101-A103 VanDerWaalsContact C-N 3.28Å; A101-A103 PolarHBondContact O-N 3.44Å; A103-I105 VanDerWaalsContact C-N 3.29Å; A103-I105 HydrophobicContact CB-CD1 3.89Å; A103-I105 HydrophobicContact CB-CG1 3.95Å
104	G	98.1	Very high	98.5	Very high	55 Å²	55	35 Å²	35	57%	0.567	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	19.3	-175.8	0	0	0	0	0	114.2	M100 A101 Q102	M100-G104 PolarHBondContact O-N 2.73Å; M100-G104 VanDerWaalsContact O-N 3.13Å; A101-G104 PolarHBondContact O-N 3.06Å; Q102-G104 PolarHBondContact O-N 2.87Å
105	I	98.7	Very high	98.3	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-98.9	124.6	-177.4	-57.7	176.2	0	0	0	109.3	I56 F59 A60 F64 L67 M100 A103	I56-I105 HydrophobicContact CG2-CD1 4.28Å; F59-I105 HydrophobicContact CB-CD1 3.92Å; A60-I105 HydrophobicContact CB-CD1 4.36Å; F64-I105 HydrophobicContact CB-CD1 4.12Å; F64-I105 HydrophobicContact CB-CG1 4.27Å; L67-I105 HydrophobicContact CB-CG2 3.58Å; M100-I105 CarbonylContact C-O 3.59Å; M100-I105 HydrophobicContact CB-CB 4.35Å; M100-I105 HydrophobicContact CE-CG2 3.89Å; M100-I105 PolarHBondContact O-N 2.94Å; A103-I105 VanDerWaalsContact C-N 3.29Å; A103-I105 HydrophobicContact CB-CD1 3.89Å; A103-I105 HydrophobicContact CB-CG1 3.95Å
106	K	98.7	Very high	98.3	Very high	125 Å²	125	29.5 Å²	29.5	54%	0.543	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133.8	174.7	-64.1	-179.4	-178	178	0	110.9	L9 T65 C66 L67	L9-K106 HydrophobicContact CD2-CD 4.27Å; T65-K106 WeakPolarHBondContact O-CB 3.4Å; T65-K106 PolarHBondContact O-N 2.95Å; C66-K106 CarbonylContact C-O 3.46Å; C66-K106 VanDerWaalsContact CA-O 3.23Å; C66-K106 WeakPolarHBondContact CA-O 3.31Å; L67-K106 PolarHBondContact N-O 3.15Å
107	P	98.8	Very high	98.3	Very high	12 Å²	12	29.5 Å²	29.5	8%	0.078	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.6	171.3	28.5	-32.3	0	0	0	111.8	F97 M100 V109 K150 V151	F97-P107 HydrophobicContact CD1-CB 3.78Å; F97-P107 HydrophobicContact CD1-CG 4.11Å; F97-P107 HydrophobicContact CE1-CB 3.8Å; F97-P107 HydrophobicContact CE1-CG 4.46Å; M100-P107 VanDerWaalsContact CE-CA 3.43Å; M100-P107 HydrophobicContact CE-CB 3.6Å; M100-P107 HydrophobicContact CE-CG 4.46Å; M100-P107 HydrophobicContact SD-CB 4.27Å; P107-V109 HydrophobicContact CB-CG2 4.08Å; P107-K150 WeakPolarHBondContact CG-O 3.39Å; P107-V151 HydrophobicContact CB-CG2 4.13Å; P107-V151 HydrophobicContact CG-CB 4.17Å; P107-V151 HydrophobicContact CG-CG1 4.3Å; P107-V151 HydrophobicContact CG-CG2 3.67Å
108	L	98.9	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.4	159.8	171	63.7	0	0	0	107.9	L67 R68 I69 L153 L155 F281 F345 V347	L67-L108 PolarHBondContact O-N 3.06Å; R68-L108 WeakPolarHBondContact CA-O 3.31Å; R68-L108 HydrophobicContact CB-CB 4.1Å; R68-L108 HydrophobicContact CB-CD2 4.02Å; R68-L108 HydrophobicContact CB-CG 4.15Å; R68-L108 HydrophobicContact CG-CD2 4.21Å; R68-L108 HydrophobicContact CG-CG 4.18Å; I69-L108 PolarHBondContact N-O 2.78Å; L108-L153 WeakPolarHBondContact CA-O 3.48Å; L108-L153 HydrophobicContact CB-CB 4.37Å; L108-L153 HydrophobicContact CD1-CB 3.65Å; L108-L155 HydrophobicContact CD1-CD1 4.39Å; L108-L155 HydrophobicContact CD1-CD2 4.14Å; L108-L155 HydrophobicContact CD1-CG 3.92Å; L108-L155 HydrophobicContact CD2-CD1 4.34Å; L108-L155 HydrophobicContact CG-CD1 4.39Å; L108-L155 HydrophobicContact CG-CG 4.4Å; L108-F281 HydrophobicContact CD1-CZ 4.26Å; L108-F345 HydrophobicContact CD2-CD1 4.08Å; L108-F345 HydrophobicContact CD2-CE1 3.71Å; L108-F345 HydrophobicContact CD2-CZ 3.97Å; L108-V347 HydrophobicContact CD2-CG1 3.61Å
109	V	98.9	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.3	-169	178.6	0	0	0	0	111.7	I69 I71 F97 P107 V151 L153 W154 L155	I69-V109 HydrophobicContact CG1-CG2 4.38Å; I69-V109 CarbonylContact O-C 3.59Å; I69-V109 WeakPolarHBondContact O-CA 3.21Å; I71-V109 HydrophobicContact CB-CG1 4.44Å; I71-V109 HydrophobicContact CD1-CG1 3.67Å; I71-V109 HydrophobicContact CG1-CG1 3.69Å; F97-V109 HydrophobicContact CE1-CG2 3.73Å; F97-V109 HydrophobicContact CZ-CG2 3.64Å; P107-V109 HydrophobicContact CB-CG2 4.08Å; V109-V151 HydrophobicContact CB-CG1 4.03Å; V109-V151 HydrophobicContact CG2-CB 4.42Å; V109-V151 HydrophobicContact CG2-CG1 3.56Å; V109-V151 HydrophobicContact CG2-CG2 3.92Å; V109-L153 PolarHBondContact N-O 3.49Å; V109-W154 HydrophobicContact CB-CD2 4.46Å; V109-W154 HydrophobicContact CB-CE3 3.71Å; V109-W154 HydrophobicContact CB-CZ3 3.87Å; V109-W154 HydrophobicContact CG1-CE3 3.83Å; V109-W154 HydrophobicContact CG1-CZ3 3.65Å; V109-W154 CarbonylContact O-C 3.52Å; V109-W154 VanDerWaalsContact O-CA 3.3Å; V109-W154 WeakPolarHBondContact O-CA 3.25Å; V109-L155 PolarHBondContact O-N 3.49Å
110	T	98.9	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.3	166.6	-55.6	0	0	0	0	110.2	R68 I69 S70 I71 S112 H113 L155 N158	R68-T110 PolarHBondContact NE-OG1 2.88Å; R68-T110 VanDerWaalsContact NE-OG1 3.15Å; R68-T110 PolarHBondContact NH2-OG1 2.95Å; I69-T110 PolarHBondContact O-N 2.93Å; S70-T110 WeakPolarHBondContact CA-O 3.43Å; S70-T110 VanDerWaalsContact CB-O 3.28Å; S70-T110 WeakPolarHBondContact CB-O 3.49Å; I71-T110 PolarHBondContact N-O 3.26Å; T110-S112 WeakPolarHBondContact CG2-O 3.19Å; T110-H113 HydrophobicContact CG2-CB 3.86Å; T110-L155 WeakPolarHBondContact CA-O 3.06Å; T110-L155 HydrophobicContact CG2-CB 4.35Å; T110-N158 HydrophobicContact CG2-CB 4.23Å
111	L	98.9	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-44.6	-179.6	-68.7	170.8	0	0	0	112.2	F136 Y139 A140 V143 F144 W154 L155 T156 A196	L111-F136 HydrophobicContact CB-CE2 4.12Å; L111-F136 HydrophobicContact CB-CZ 3.92Å; L111-F136 HydrophobicContact CD1-CZ 4.03Å; L111-Y139 HydrophobicContact CB-CE1 4.21Å; L111-Y139 HydrophobicContact CD2-CE1 4.44Å; L111-Y139 VanDerWaalsContact O-CE1 3.26Å; L111-Y139 WeakPolarHBondContact O-CE1 3.44Å; L111-Y139 PolarHBondContact O-OH 3.26Å; L111-A140 HydrophobicContact CD1-CB 3.94Å; L111-V143 HydrophobicContact CD2-CG2 3.4Å; L111-V143 VanDerWaalsContact CD2-CG2 3.4Å; L111-F144 HydrophobicContact CD1-CE1 3.97Å; L111-F144 HydrophobicContact CD1-CZ 3.68Å; L111-F144 HydrophobicContact CD2-CE1 4.16Å; L111-F144 HydrophobicContact CG-CE1 4.48Å; L111-W154 HydrophobicContact CD2-CE3 3.89Å; L111-W154 HydrophobicContact CD2-CZ3 3.88Å; L111-W154 HydrophobicContact CG-CE3 4.33Å; L111-L155 PolarHBondContact N-O 3.26Å; L111-T156 WeakPolarHBondContact CB-O 3.45Å; L111-A196 HydrophobicContact CD1-CB 4.38Å
112	S	98.7	Very high	98.1	Very high	11 Å²	11	32.7 Å²	32.7	8%	0.077	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	113.7	178.4	175.9	0	0	0	0	111.3	T110 T156 N158	T110-S112 WeakPolarHBondContact CG2-O 3.19Å; S112-T156 PolarHBondContact N-O 3.04Å; S112-N158 PolarHBondContact O-N 3.14Å
113	H	98.1	Very high	98.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.159	C	C	.	.	S	Bend	trans	-132.7	74.4	-178.5	-159.1	163	0	0	0	111	A15 N17 R68 T110 E115 N158 E348	A15-H113 HydrophobicContact CB-CB 4.43Å; A15-H113 WeakPolarHBondContact CB-ND1 3.15Å; N17-H113 PolarHBondContact ND2-O 2.65Å; R68-H113 PolarHBondContact NH2-CE1 3.01Å; R68-H113 PolarHBondContact NH2-ND1 2.92Å; T110-H113 HydrophobicContact CG2-CB 3.86Å; H113-E115 VanDerWaalsContact C-N 3.28Å; H113-E115 PolarHBondContact O-N 3.49Å; H113-N158 HydrophobicContact CB-CB 4.23Å; H113-N158 WeakPolarHBondContact CD2-CB 3.17Å; H113-N158 PolarHBondContact NE2-ND2 2.91Å; H113-N158 PolarHBondContact NE2-OD1 2.82Å; H113-E348 IonicContact CE1-OE1 3.54Å
114	Y	95.1	Very high	98.1	Very high	28 Å²	28	31.4 Å²	31.4	11%	0.11	16%	0.158	C	C	.	.	S	Bend	trans	60.5	28.4	174.2	-56.5	-30.6	0	0	0	116.2	T32 N158 E159 M162 T169	T32-Y114 PolarHBondContact OG1-O 3.06Å; Y114-N158 WeakPolarHBondContact CE2-ND2 3.36Å; Y114-N158 VanDerWaalsContact CZ-ND2 3.28Å; Y114-N158 PolarHBondContact OH-ND2 3Å; Y114-N158 VanDerWaalsContact OH-ND2 3.14Å; Y114-E159 WeakPolarHBondContact OH-CB 3.41Å; Y114-E159 PolarHBondContact OH-OE2 2.68Å; Y114-M162 HydrophobicContact CE1-CB 4.1Å; Y114-M162 VanDerWaalsContact OH-CB 3.25Å; Y114-M162 WeakPolarHBondContact OH-CB 3.37Å; Y114-M162 WeakPolarHBondContact OH-CG 3.45Å; Y114-T169 HydrophobicContact CD1-CG2 3.91Å; Y114-T169 HydrophobicContact CD2-CG2 4.42Å; Y114-T169 HydrophobicContact CG-CG2 3.73Å
115	E	94.8	Very high	98	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.023	15%	0.149	C	C	.	.			trans	-142	36.2	-171.8	64.9	-162.7	165.3	0	0	112.9	A16 N17 S31 S70 H113	A16-E115 WeakPolarHBondContact CB-OE2 3.41Å; N17-E115 HydrophobicContact CB-CB 4.24Å; N17-E115 VanDerWaalsContact CB-OE2 3.31Å; N17-E115 WeakPolarHBondContact CB-OE2 3.36Å; N17-E115 PolarHBondContact N-OE2 3.46Å; N17-E115 PolarHBondContact ND2-OE2 3Å; S31-E115 WeakPolarHBondContact CB-O 3.46Å; S70-E115 VanDerWaalsContact CB-OE1 3.31Å; S70-E115 WeakPolarHBondContact CB-OE1 3.2Å; S70-E115 PolarHBondContact OG-OE1 2.85Å; H113-E115 VanDerWaalsContact C-N 3.28Å; H113-E115 PolarHBondContact O-N 3.49Å
116	M	97.9	Very high	98	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	15%	0.148	C	C	.	.			trans	-61.7	146.4	178.4	71.7	178	-69.8	0	0	111.1	S31 T32 W73 Y118 L120 V121	S31-M116 CarbonylContact C-O 3.44Å; S31-M116 VanDerWaalsContact CA-O 3.3Å; S31-M116 WeakPolarHBondContact CA-O 3.14Å; T32-M116 HydrophobicContact CG2-CG 3.54Å; T32-M116 HydrophobicContact CG2-SD 4.38Å; T32-M116 PolarHBondContact N-O 3.05Å; W73-M116 HydrophobicContact CE3-CB 3.9Å; W73-M116 HydrophobicContact CZ3-CB 3.98Å; M116-Y118 PolarHBondContact O-N 2.73Å; M116-L120 HydrophobicContact CE-CB 3.89Å; M116-L120 HydrophobicContact CE-CD1 4.44Å; M116-V121 HydrophobicContact CE-CG2 4.03Å; M116-V121 HydrophobicContact CG-CG2 4.45Å; M116-V121 HydrophobicContact SD-CG2 4.19Å
117	P	98.4	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-57.3	129.1	177	-24.6	33.6	0	0	0	111.4	W73 A74 F77 G119 L120	W73-P117 HydrophobicContact CB-CG 4.24Å; W73-P117 HydrophobicContact CD2-CG 3.87Å; W73-P117 VanDerWaalsContact CE3-CD 3.49Å; W73-P117 VanDerWaalsContact CG-CD 3.48Å; W73-P117 HydrophobicContact CG-CG 3.7Å; A74-P117 HydrophobicContact CB-CB 4.47Å; A74-P117 HydrophobicContact CB-CG 4.3Å; F77-P117 WeakPolarHBondContact O-CG 3.47Å; P117-G119 PolarHBondContact O-N 3.22Å; P117-L120 HydrophobicContact CB-CG 4.44Å; P117-L120 HydrophobicContact CG-CD1 4.36Å; P117-L120 WeakPolarHBondContact O-CB 3.3Å; P117-L120 PolarHBondContact O-N 2.84Å; P117-L120 VanDerWaalsContact O-N 3.12Å
118	Y	97.7	Very high	97.9	Very high	81 Å²	81	25.9 Å²	25.9	32%	0.318	14%	0.136	S	C	.	.	H	α-helix	trans	-65.8	-21.8	176.4	-176.9	-115.1	0	0	0	112.2	I30 L35 M116 L120 V121 K122 F168	I30-Y118 HydrophobicContact CG2-CG 4.46Å; I30-Y118 WeakPolarHBondContact O-CB 3.39Å; I30-Y118 PolarHBondContact O-N 3.46Å; L35-Y118 HydrophobicContact CD1-CD1 3.76Å; L35-Y118 HydrophobicContact CD1-CD2 3.25Å; L35-Y118 HydrophobicContact CD1-CE1 3.92Å; L35-Y118 HydrophobicContact CD1-CE2 3.44Å; L35-Y118 VanDerWaalsContact CD1-CE2 3.44Å; L35-Y118 HydrophobicContact CD1-CG 3.42Å; L35-Y118 VanDerWaalsContact CD1-CG 3.42Å; M116-Y118 PolarHBondContact O-N 2.73Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 2.91Å; Y118-V121 HydrophobicContact CD2-CB 3.77Å; Y118-V121 HydrophobicContact CD2-CG1 4.06Å; Y118-V121 HydrophobicContact CD2-CG2 4.27Å; Y118-V121 HydrophobicContact CE2-CB 4.07Å; Y118-V121 HydrophobicContact CE2-CG1 3.87Å; Y118-V121 WeakPolarHBondContact O-CB 3.13Å; Y118-V121 PolarHBondContact O-N 2.98Å; Y118-V121 VanDerWaalsContact O-N 3.13Å; Y118-K122 HydrophobicContact CE1-CB 4.31Å; Y118-K122 HydrophobicContact CE1-CD 4.48Å; Y118-K122 WeakPolarHBondContact O-CB 3.34Å; Y118-K122 PolarHBondContact O-N 3.37Å; Y118-F168 HydrophobicContact CD2-CE2 4.5Å; Y118-F168 HydrophobicContact CD2-CZ 4.36Å; Y118-F168 HydrophobicContact CE2-CE2 4.26Å; Y118-F168 HydrophobicContact CE2-CZ 4.34Å
119	G	98.3	Very high	97.9	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-55.7	-40.7	170.3	0	0	0	0	0	112.4	Q79 P117 K122 N123	Q79-G119 CarbonylContact O-C 3.52Å; Q79-G119 VanDerWaalsContact O-C 3.31Å; Q79-G119 VanDerWaalsContact O-CA 3.28Å; Q79-G119 WeakPolarHBondContact O-CA 3.3Å; P117-G119 PolarHBondContact O-N 3.22Å; G119-K122 PolarHBondContact O-N 2.91Å; G119-N123 VanDerWaalsContact O-CB 3.23Å; G119-N123 WeakPolarHBondContact O-CB 3.4Å; G119-N123 VanDerWaalsContact O-CG 3.27Å; G119-N123 PolarHBondContact O-N 2.9Å; G119-N123 PolarHBondContact O-ND2 3.35Å
120	L	98.7	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-37.2	175.5	-65.2	176	0	0	0	112.5	W73 Q79 D81 M116 P117 Y118 Y124 G125 G126 V132 H135	W73-L120 HydrophobicContact CH2-CD1 3.41Å; W73-L120 VanDerWaalsContact CH2-CD1 3.41Å; W73-L120 HydrophobicContact CZ2-CD1 3.37Å; W73-L120 HydrophobicContact CZ3-CD1 4.13Å; Q79-L120 PolarHBondContact O-N 3.29Å; Q79-L120 VanDerWaalsContact O-N 3.11Å; D81-L120 HydrophobicContact CB-CD2 4.29Å; M116-L120 HydrophobicContact CE-CB 3.89Å; M116-L120 HydrophobicContact CE-CD1 4.44Å; P117-L120 HydrophobicContact CB-CG 4.44Å; P117-L120 HydrophobicContact CG-CD1 4.36Å; P117-L120 WeakPolarHBondContact O-CB 3.3Å; P117-L120 PolarHBondContact O-N 2.84Å; P117-L120 VanDerWaalsContact O-N 3.12Å; Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 2.91Å; L120-Y124 HydrophobicContact CD2-CD2 3.93Å; L120-Y124 HydrophobicContact CD2-CE2 4.08Å; L120-Y124 WeakPolarHBondContact O-CA 3.47Å; L120-Y124 WeakPolarHBondContact O-CB 3.34Å; L120-Y124 PolarHBondContact O-N 3.48Å; L120-G125 PolarHBondContact O-N 2.85Å; L120-G126 PolarHBondContact O-N 3.5Å; L120-V132 HydrophobicContact CD1-CG1 4.29Å; L120-H135 HydrophobicContact CD2-CB 4.19Å
121	V	98.2	Very high	97.8	Very high	21 Å²	21	33.9 Å²	33.9	13%	0.127	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-51.8	173.6	179.3	0	0	0	0	110.2	T32 M116 Y118 G125 F168 G172	T32-V121 HydrophobicContact CG2-CG2 3.92Å; M116-V121 HydrophobicContact CE-CG2 4.03Å; M116-V121 HydrophobicContact CG-CG2 4.45Å; M116-V121 HydrophobicContact SD-CG2 4.19Å; Y118-V121 HydrophobicContact CD2-CB 3.77Å; Y118-V121 HydrophobicContact CD2-CG1 4.06Å; Y118-V121 HydrophobicContact CD2-CG2 4.27Å; Y118-V121 HydrophobicContact CE2-CB 4.07Å; Y118-V121 HydrophobicContact CE2-CG1 3.87Å; Y118-V121 WeakPolarHBondContact O-CB 3.13Å; Y118-V121 PolarHBondContact O-N 2.98Å; Y118-V121 VanDerWaalsContact O-N 3.13Å; V121-G125 VanDerWaalsContact O-CA 3.24Å; V121-G125 WeakPolarHBondContact O-CA 3.48Å; V121-G125 PolarHBondContact O-N 3.28Å; V121-F168 HydrophobicContact CG1-CE2 4.3Å; V121-G172 WeakPolarHBondContact CG1-O 3.29Å
122	K	97.6	Very high	97.8	Very high	152 Å²	152	33.9 Å²	33.9	66%	0.661	18%	0.177	S	C	*	.	H	α-helix	trans	-66.7	-41.5	-175.6	-175.2	-179.2	177.2	-176.2	0	113.4	Y118 G119	Y118-K122 HydrophobicContact CE1-CB 4.31Å; Y118-K122 HydrophobicContact CE1-CD 4.48Å; Y118-K122 WeakPolarHBondContact O-CB 3.34Å; Y118-K122 PolarHBondContact O-N 3.37Å; G119-K122 PolarHBondContact O-N 2.91Å
123	N	97.9	Very high	97.8	Very high	89 Å²	89	33.4 Å²	33.4	48%	0.476	17%	0.174	S	C	.	.	H	α-helix	trans	-92.9	-27.8	-171.3	-61.7	-20.2	0	0	0	112.9	G119	G119-N123 VanDerWaalsContact O-CB 3.23Å; G119-N123 WeakPolarHBondContact O-CB 3.4Å; G119-N123 VanDerWaalsContact O-CG 3.27Å; G119-N123 PolarHBondContact O-N 2.9Å; G119-N123 PolarHBondContact O-ND2 3.35Å
124	Y	98.1	Very high	97.9	Very high	68 Å²	68	37.7 Å²	37.7	27%	0.267	20%	0.197	S	C	.	.	H	α-helix	trans	-119.3	-15.1	-175	-59.4	-95.4	0	0	0	113.5	D81 L120 N129 A131 H135	D81-Y124 HydrophobicContact CB-CE2 3.9Å; D81-Y124 VanDerWaalsContact OD2-CE2 3.3Å; D81-Y124 WeakPolarHBondContact OD2-CE2 3.44Å; D81-Y124 PolarHBondContact OD2-OH 2.9Å; L120-Y124 HydrophobicContact CD2-CD2 3.93Å; L120-Y124 HydrophobicContact CD2-CE2 4.08Å; L120-Y124 WeakPolarHBondContact O-CA 3.47Å; L120-Y124 WeakPolarHBondContact O-CB 3.34Å; L120-Y124 PolarHBondContact O-N 3.48Å; Y124-N129 WeakPolarHBondContact O-CB 3.39Å; Y124-N129 PolarHBondContact O-ND2 3.38Å; Y124-A131 HydrophobicContact CD1-CB 3.95Å; Y124-A131 HydrophobicContact CE1-CB 4.16Å; Y124-H135 AromaticContact CE1-NE2 3.65Å; Y124-H135 AromaticContact CE2-NE2 3.79Å; Y124-H135 AromaticContact CZ-NE2 3.34Å; Y124-H135 VanDerWaalsContact CZ-NE2 3.34Å; Y124-H135 PolarHBondContact OH-NE2 2.95Å
125	G	97.2	Very high	98	Very high	36 Å²	36	38 Å²	38	37%	0.371	20%	0.199	S	C	.	.			trans	83.3	27.2	-172.6	0	0	0	0	0	113.1	L120 V121 L173	L120-G125 PolarHBondContact O-N 2.85Å; V121-G125 VanDerWaalsContact O-CA 3.24Å; V121-G125 WeakPolarHBondContact O-CA 3.48Å; V121-G125 PolarHBondContact O-N 3.28Å; G125-L173 VanDerWaalsContact O-CD2 3.22Å; G125-L173 WeakPolarHBondContact O-CD2 3.33Å
126	G	98	Very high	98.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	65.3	-153.7	179.3	0	0	0	0	0	112.5	L120 A128 N129 V132	L120-G126 PolarHBondContact O-N 3.5Å; G126-A128 PolarHBondContact O-N 3.43Å; G126-A128 VanDerWaalsContact O-N 3.11Å; G126-N129 PolarHBondContact O-N 3.09Å; G126-V132 VanDerWaalsContact O-CG2 3.26Å; G126-V132 WeakPolarHBondContact O-CG2 3.31Å
127	W	98.6	Very high	98.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-67.8	-8.8	-175.5	-77.3	93.7	0	0	0	114.3	W73 N129 V132 I133 F136 F157 V171 A185 H188 Q189 A192	W73-W127 HydrophobicContact CH2-CZ2 4.27Å; W73-W127 HydrophobicContact CZ3-CZ2 4.17Å; W127-N129 PolarHBondContact O-N 3.32Å; W127-V132 HydrophobicContact CD2-CB 4.46Å; W127-V132 HydrophobicContact CD2-CG1 3.71Å; W127-V132 HydrophobicContact CE3-CB 4.32Å; W127-V132 HydrophobicContact CE3-CG1 3.91Å; W127-V132 HydrophobicContact CG-CG1 4.24Å; W127-V132 HydrophobicContact CH2-CG1 4.09Å; W127-V132 HydrophobicContact CZ2-CG1 3.9Å; W127-V132 HydrophobicContact CZ3-CG1 4.1Å; W127-I133 HydrophobicContact CZ3-CG1 4.3Å; W127-F136 HydrophobicContact CH2-CB 3.62Å; W127-F136 HydrophobicContact CH2-CD1 4.38Å; W127-F136 HydrophobicContact CH2-CD2 4.37Å; W127-F136 AromaticContact CH2-CG 3.87Å; W127-F136 HydrophobicContact CH2-CG 3.87Å; W127-F136 HydrophobicContact CZ2-CB 4.05Å; W127-F136 HydrophobicContact CZ2-CD2 4.2Å; W127-F136 HydrophobicContact CZ2-CG 4.16Å; W127-F157 HydrophobicContact CH2-CE1 4.01Å; W127-F157 AromaticContact CH2-CZ 3.55Å; W127-F157 HydrophobicContact CH2-CZ 3.55Å; W127-F157 AromaticContact CZ2-CE1 3.49Å; W127-F157 HydrophobicContact CZ2-CE1 3.49Å; W127-F157 VanDerWaalsContact CZ2-CE1 3.49Å; W127-F157 AromaticContact CZ2-CZ 3.55Å; W127-F157 HydrophobicContact CZ2-CZ 3.55Å; W127-V171 HydrophobicContact CB-CB 3.92Å; W127-V171 HydrophobicContact CB-CG1 3.97Å; W127-V171 WeakPolarHBondContact CB-O 3.46Å; W127-V171 HydrophobicContact CG-CB 4.42Å; W127-V171 HydrophobicContact CG-CG1 4.31Å; W127-V171 PolarHBondContact N-O 3.27Å; W127-A185 HydrophobicContact CB-CB 3.73Å; W127-A185 WeakPolarHBondContact O-CA 3.35Å; W127-H188 HydrophobicContact CE3-CB 3.85Å; W127-H188 HydrophobicContact CZ3-CB 4.34Å; W127-H188 PolarHBondContact O-ND1 3.23Å; W127-Q189 VanDerWaalsContact CD1-NE2 3.32Å; W127-Q189 HydrophobicContact CD2-CG 3.36Å; W127-Q189 HydrophobicContact CE3-CB 4.37Å; W127-Q189 HydrophobicContact CE3-CG 3.54Å; W127-Q189 HydrophobicContact CG-CG 3.84Å; W127-Q189 HydrophobicContact CH2-CG 4.16Å; W127-Q189 HydrophobicContact CZ2-CG 4.02Å; W127-Q189 HydrophobicContact CZ3-CB 4.49Å; W127-Q189 HydrophobicContact CZ3-CG 3.93Å; W127-A192 HydrophobicContact CH2-CB 3.56Å; W127-A192 HydrophobicContact CZ3-CB 3.59Å
128	A	97.6	Very high	98.3	Very high	43 Å²	43	42.6 Å²	42.6	36%	0.355	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-60.7	-26.1	168.4	0	0	0	0	0	111.7	G126 L173 H188	G126-A128 PolarHBondContact O-N 3.43Å; G126-A128 VanDerWaalsContact O-N 3.11Å; A128-L173 HydrophobicContact CB-CD1 4.45Å; A128-L173 HydrophobicContact CB-CD2 3.51Å; A128-H188 PolarHBondContact O-CE1 3.23Å; A128-H188 VanDerWaalsContact O-CE1 3.27Å
129	N	98.2	Very high	98.3	Very high	60 Å²	60	38.7 Å²	38.7	32%	0.321	21%	0.205	S	C	.	.	S	Bend	trans	-94	123.8	178.4	-170.1	-33	0	0	0	111.8	Y124 G126 W127 A131 V132	Y124-N129 WeakPolarHBondContact O-CB 3.39Å; Y124-N129 PolarHBondContact O-ND2 3.38Å; G126-N129 PolarHBondContact O-N 3.09Å; W127-N129 PolarHBondContact O-N 3.32Å; N129-A131 PolarHBondContact O-N 3Å; N129-A131 VanDerWaalsContact O-N 3.13Å; N129-A131 WeakPolarHBondContact OD1-CB 3.49Å; N129-A131 PolarHBondContact OD1-N 2.87Å; N129-V132 WeakPolarHBondContact O-CB 3.31Å; N129-V132 PolarHBondContact O-N 2.85Å; N129-V132 VanDerWaalsContact O-N 3.08Å
130	R	98.3	Very high	98.4	Very high	78 Å²	78	38.5 Å²	38.5	29%	0.294	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.3	-177.3	-168.5	176.6	176.9	80.1	5.6	113.7	V132 I133 T268 D271	R130-V132 PolarHBondContact O-N 3Å; R130-I133 HydrophobicContact CG-CD1 3.79Å; R130-I133 VanDerWaalsContact O-CB 3.29Å; R130-I133 WeakPolarHBondContact O-CB 3.34Å; R130-I133 VanDerWaalsContact O-CG1 3.29Å; R130-I133 WeakPolarHBondContact O-CG1 3.41Å; R130-I133 PolarHBondContact O-N 3.18Å; R130-I133 VanDerWaalsContact O-N 3.08Å; R130-T268 PolarHBondContact NH2-OG1 2.8Å; R130-D271 IonicContact CZ-OD1 2.93Å; R130-D271 VanDerWaalsContact CZ-OD1 3.29Å; R130-D271 IonicContact CZ-OD2 2.86Å; R130-D271 VanDerWaalsContact NH1-CG 3.32Å; R130-D271 IonicContact NH1-OD1 3.99Å; R130-D271 PolarHBondContact NH1-OD1 3.17Å; R130-D271 IonicContact NH1-OD2 2.74Å; R130-D271 PolarHBondContact NH1-OD2 3.06Å; R130-D271 VanDerWaalsContact NH2-CG 3.3Å; R130-D271 IonicContact NH2-OD1 3.65Å; R130-D271 PolarHBondContact NH2-OD1 2.98Å; R130-D271 IonicContact NH2-OD2 3.53Å; R130-D271 PolarHBondContact NH2-OD2 3.27Å
131	A	98.3	Very high	98.4	Very high	31 Å²	31	42.4 Å²	42.4	26%	0.256	22%	0.218	S	C	.	.	H	α-helix	trans	-60.5	-24.7	177.7	0	0	0	0	0	113.1	Y124 N129 I133 D134 H135	Y124-A131 HydrophobicContact CD1-CB 3.95Å; Y124-A131 HydrophobicContact CE1-CB 4.16Å; N129-A131 PolarHBondContact O-N 3Å; N129-A131 VanDerWaalsContact O-N 3.13Å; N129-A131 WeakPolarHBondContact OD1-CB 3.49Å; N129-A131 PolarHBondContact OD1-N 2.87Å; A131-I133 PolarHBondContact O-N 2.85Å; A131-D134 PolarHBondContact O-N 3.35Å; A131-D134 VanDerWaalsContact O-N 3.12Å; A131-H135 PolarHBondContact O-CD2 3.03Å; A131-H135 PolarHBondContact O-N 3.34Å
132	V	98.7	Very high	98.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-23.3	177.2	-179.7	0	0	0	0	112.2	W73 L120 G126 W127 N129 R130 D134 H135 F136	W73-V132 HydrophobicContact CH2-CG1 4.25Å; L120-V132 HydrophobicContact CD1-CG1 4.29Å; G126-V132 VanDerWaalsContact O-CG2 3.26Å; G126-V132 WeakPolarHBondContact O-CG2 3.31Å; W127-V132 HydrophobicContact CD2-CB 4.46Å; W127-V132 HydrophobicContact CD2-CG1 3.71Å; W127-V132 HydrophobicContact CE3-CB 4.32Å; W127-V132 HydrophobicContact CE3-CG1 3.91Å; W127-V132 HydrophobicContact CG-CG1 4.24Å; W127-V132 HydrophobicContact CH2-CG1 4.09Å; W127-V132 HydrophobicContact CZ2-CG1 3.9Å; W127-V132 HydrophobicContact CZ3-CG1 4.1Å; N129-V132 WeakPolarHBondContact O-CB 3.31Å; N129-V132 PolarHBondContact O-N 2.85Å; N129-V132 VanDerWaalsContact O-N 3.08Å; R130-V132 PolarHBondContact O-N 3Å; V132-D134 VanDerWaalsContact C-N 3.34Å; V132-D134 PolarHBondContact O-N 2.93Å; V132-H135 PolarHBondContact O-N 2.96Å; V132-F136 WeakPolarHBondContact O-CB 3.47Å; V132-F136 PolarHBondContact O-N 2.92Å
133	I	98.8	Very high	98.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-47.9	171.8	-60.3	176	0	0	0	110.4	W127 R130 A131 F136 E137 H188 V191 A192	W127-I133 HydrophobicContact CZ3-CG1 4.3Å; R130-I133 HydrophobicContact CG-CD1 3.79Å; R130-I133 VanDerWaalsContact O-CB 3.29Å; R130-I133 WeakPolarHBondContact O-CB 3.34Å; R130-I133 VanDerWaalsContact O-CG1 3.29Å; R130-I133 WeakPolarHBondContact O-CG1 3.41Å; R130-I133 PolarHBondContact O-N 3.18Å; R130-I133 VanDerWaalsContact O-N 3.08Å; A131-I133 PolarHBondContact O-N 2.85Å; I133-F136 PolarHBondContact O-N 3.34Å; I133-E137 WeakPolarHBondContact O-CB 3.5Å; I133-E137 PolarHBondContact O-N 3.11Å; I133-H188 HydrophobicContact CD1-CB 3.91Å; I133-H188 HydrophobicContact CG1-CB 3.83Å; I133-V191 HydrophobicContact CD1-CB 4.2Å; I133-V191 HydrophobicContact CD1-CG1 4.04Å; I133-V191 HydrophobicContact CG2-CG1 4.25Å; I133-A192 HydrophobicContact CB-CB 4.42Å; I133-A192 HydrophobicContact CG1-CB 4.44Å; I133-A192 HydrophobicContact CG2-CB 4.03Å
134	D	98.7	Very high	98.5	Very high	91 Å²	91	31.1 Å²	31.1	49%	0.487	17%	0.165	S	C	.	.	H	α-helix	trans	-70.7	-38.5	-176.2	-60.8	-28.6	0	0	0	110.8	A131 V132 E137 H138 R195	A131-D134 PolarHBondContact O-N 3.35Å; A131-D134 VanDerWaalsContact O-N 3.12Å; V132-D134 VanDerWaalsContact C-N 3.34Å; V132-D134 PolarHBondContact O-N 2.93Å; D134-E137 PolarHBondContact O-N 2.93Å; D134-H138 WeakPolarHBondContact O-CB 3.28Å; D134-H138 PolarHBondContact O-N 2.75Å; D134-R195 IonicContact OD1-NH1 3.91Å; D134-R195 PolarHBondContact OD1-NH1 3.46Å
135	H	98.7	Very high	98.5	Very high	34 Å²	34	31.1 Å²	31.1	16%	0.157	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-42.1	174.3	-67	-42.4	0	0	0	112.5	W73 G80 D81 L120 Y124 A131 V132 H138 Y139	W73-H135 HydrophobicContact CZ2-CB 4.41Å; G80-H135 WeakPolarHBondContact O-CB 3.46Å; D81-H135 WeakPolarHBondContact CB-CE1 3.37Å; L120-H135 HydrophobicContact CD2-CB 4.19Å; Y124-H135 AromaticContact CE1-NE2 3.65Å; Y124-H135 AromaticContact CE2-NE2 3.79Å; Y124-H135 AromaticContact CZ-NE2 3.34Å; Y124-H135 VanDerWaalsContact CZ-NE2 3.34Å; Y124-H135 PolarHBondContact OH-NE2 2.95Å; A131-H135 PolarHBondContact O-CD2 3.03Å; A131-H135 PolarHBondContact O-N 3.34Å; V132-H135 PolarHBondContact O-N 2.96Å; H135-H138 PolarHBondContact O-N 3.05Å; H135-Y139 WeakPolarHBondContact O-CB 3.35Å; H135-Y139 PolarHBondContact O-N 2.79Å
136	F	98.9	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-41	174.3	-179.3	-98.6	0	0	0	112	W73 L111 W127 V132 I133 H138 Y139 A140 F157 A192 A196	W73-F136 HydrophobicContact CE3-CD2 4.34Å; W73-F136 HydrophobicContact CH2-CB 3.81Å; W73-F136 AromaticContact CH2-CD2 3.93Å; W73-F136 HydrophobicContact CH2-CD2 3.93Å; W73-F136 HydrophobicContact CH2-CG 4.38Å; W73-F136 HydrophobicContact CZ2-CB 4.18Å; W73-F136 HydrophobicContact CZ2-CD2 4.42Å; W73-F136 AromaticContact CZ3-CD2 3.89Å; W73-F136 HydrophobicContact CZ3-CD2 3.89Å; L111-F136 HydrophobicContact CB-CE2 4.12Å; L111-F136 HydrophobicContact CB-CZ 3.92Å; L111-F136 HydrophobicContact CD1-CZ 4.03Å; W127-F136 HydrophobicContact CH2-CB 3.62Å; W127-F136 HydrophobicContact CH2-CD1 4.38Å; W127-F136 HydrophobicContact CH2-CD2 4.37Å; W127-F136 AromaticContact CH2-CG 3.87Å; W127-F136 HydrophobicContact CH2-CG 3.87Å; W127-F136 HydrophobicContact CZ2-CB 4.05Å; W127-F136 HydrophobicContact CZ2-CD2 4.2Å; W127-F136 HydrophobicContact CZ2-CG 4.16Å; V132-F136 WeakPolarHBondContact O-CB 3.47Å; V132-F136 PolarHBondContact O-N 2.92Å; I133-F136 PolarHBondContact O-N 3.34Å; F136-H138 VanDerWaalsContact C-N 3.34Å; F136-Y139 HydrophobicContact CD2-CD1 4.08Å; F136-Y139 HydrophobicContact CE2-CD1 4.16Å; F136-Y139 HydrophobicContact CE2-CE1 4.3Å; F136-Y139 PolarHBondContact O-N 3.04Å; F136-A140 WeakPolarHBondContact O-CB 3.45Å; F136-A140 PolarHBondContact O-N 3.47Å; F136-F157 HydrophobicContact CD1-CE2 4.21Å; F136-F157 AromaticContact CD1-CZ 3.81Å; F136-F157 HydrophobicContact CD1-CZ 3.81Å; F136-F157 HydrophobicContact CD2-CE1 4.18Å; F136-F157 AromaticContact CD2-CZ 3.85Å; F136-F157 HydrophobicContact CD2-CZ 3.85Å; F136-F157 AromaticContact CE1-CE2 3.59Å; F136-F157 HydrophobicContact CE1-CE2 3.59Å; F136-F157 AromaticContact CE1-CZ 3.53Å; F136-F157 HydrophobicContact CE1-CZ 3.53Å; F136-F157 AromaticContact CE2-CE1 3.86Å; F136-F157 HydrophobicContact CE2-CE1 3.86Å; F136-F157 HydrophobicContact CE2-CE2 4.29Å; F136-F157 AromaticContact CE2-CZ 3.61Å; F136-F157 HydrophobicContact CE2-CZ 3.61Å; F136-F157 AromaticContact CG-CZ 3.94Å; F136-F157 HydrophobicContact CG-CZ 3.94Å; F136-F157 HydrophobicContact CZ-CD2 4.4Å; F136-F157 HydrophobicContact CZ-CE1 4.04Å; F136-F157 AromaticContact CZ-CE2 3.64Å; F136-F157 HydrophobicContact CZ-CE2 3.64Å; F136-F157 AromaticContact CZ-CZ 3.42Å; F136-F157 HydrophobicContact CZ-CZ 3.42Å; F136-F157 VanDerWaalsContact CZ-CZ 3.42Å; F136-A192 HydrophobicContact CB-CB 4.5Å; F136-A192 HydrophobicContact CD1-CB 3.79Å; F136-A192 HydrophobicContact CE1-CB 4.46Å; F136-A192 HydrophobicContact CG-CB 4.42Å; F136-A196 HydrophobicContact CE1-CB 3.85Å
137	E	98.8	Very high	98.6	Very high	34 Å²	34	33.9 Å²	33.9	16%	0.159	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-42.7	175.8	-176.6	179.4	176.5	0	0	111.4	I133 D134 A140 R141 R195	I133-E137 WeakPolarHBondContact O-CB 3.5Å; I133-E137 PolarHBondContact O-N 3.11Å; D134-E137 PolarHBondContact O-N 2.93Å; E137-A140 PolarHBondContact O-N 3.12Å; E137-R141 HydrophobicContact CG-CG 4.34Å; E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 VanDerWaalsContact O-CG 3.28Å; E137-R141 WeakPolarHBondContact O-CG 3.27Å; E137-R141 PolarHBondContact O-N 3.35Å; E137-R141 IonicContact OE1-CZ 3.57Å; E137-R141 VanDerWaalsContact OE1-CZ 3.22Å; E137-R141 IonicContact OE1-NE 3.59Å; E137-R141 PolarHBondContact OE1-NE 3.26Å; E137-R141 IonicContact OE1-NH2 3.59Å; E137-R141 PolarHBondContact OE1-NH2 3.22Å; E137-R195 WeakPolarHBondContact OE2-CD 3.43Å; E137-R195 IonicContact OE2-NH1 2.83Å
138	H	98.8	Very high	98.6	Very high	71 Å²	71	38 Å²	38	33%	0.329	19%	0.19	S	C	.	.	H	α-helix	trans	-59.9	-47.2	175.3	-175.9	53.3	0	0	0	111.7	F77 V83 D134 H135 F136 R141 T142	F77-H138 AromaticContact CE1-CD2 3.51Å; F77-H138 AromaticContact CE1-NE2 3.47Å; F77-H138 WeakPolarHBondContact CE1-NE2 3.3Å; F77-H138 AromaticContact CZ-CD2 3.49Å; F77-H138 VanDerWaalsContact CZ-CD2 3.49Å; F77-H138 WeakPolarHBondContact CZ-CD2 3.38Å; F77-H138 AromaticContact CZ-NE2 3.48Å; F77-H138 WeakPolarHBondContact CZ-NE2 3.27Å; V83-H138 PolarHBondContact O-CE1 3.42Å; V83-H138 PolarHBondContact O-NE2 3.27Å; D134-H138 WeakPolarHBondContact O-CB 3.28Å; D134-H138 PolarHBondContact O-N 2.75Å; H135-H138 PolarHBondContact O-N 3.05Å; F136-H138 VanDerWaalsContact C-N 3.34Å; H138-R141 PolarHBondContact O-N 3.22Å; H138-T142 WeakPolarHBondContact O-CB 3.42Å; H138-T142 PolarHBondContact O-N 3.42Å; H138-T142 PolarHBondContact O-OG1 2.53Å
139	Y	98.9	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-50.9	173.6	162	-118.3	0	0	0	112.4	I71 W73 I76 F77 L111 H135 F136 R141 T142 V143	I71-Y139 WeakPolarHBondContact CB-OH 3.4Å; I71-Y139 HydrophobicContact CG2-CE2 4.07Å; I71-Y139 VanDerWaalsContact CG2-OH 3.24Å; I71-Y139 WeakPolarHBondContact CG2-OH 3.5Å; I71-Y139 PolarHBondContact O-OH 2.68Å; W73-Y139 HydrophobicContact CB-CE1 4.1Å; W73-Y139 HydrophobicContact CB-CE2 4.43Å; W73-Y139 AromaticContact CD1-CD1 3.8Å; W73-Y139 AromaticContact CD1-CD2 3.66Å; W73-Y139 AromaticContact CD1-CG 3.5Å; W73-Y139 AromaticContact CD2-CD1 3.96Å; W73-Y139 HydrophobicContact CD2-CD1 3.96Å; W73-Y139 HydrophobicContact CD2-CE1 4.29Å; W73-Y139 HydrophobicContact CD2-CG 4.37Å; W73-Y139 AromaticContact CE2-CD1 3.99Å; W73-Y139 AromaticContact CG-CD1 3.87Å; W73-Y139 HydrophobicContact CG-CD1 3.87Å; W73-Y139 HydrophobicContact CG-CD2 4.31Å; W73-Y139 AromaticContact CG-CE1 3.95Å; W73-Y139 HydrophobicContact CG-CE1 3.95Å; W73-Y139 HydrophobicContact CG-CE2 4.39Å; W73-Y139 HydrophobicContact CG-CG 4.05Å; W73-Y139 AromaticContact NE1-CD1 3.9Å; W73-Y139 AromaticContact NE1-CG 3.55Å; I76-Y139 HydrophobicContact CB-CD2 4.11Å; I76-Y139 HydrophobicContact CB-CE2 4.03Å; I76-Y139 HydrophobicContact CG1-CD2 4.42Å; I76-Y139 HydrophobicContact CG1-CE2 3.85Å; I76-Y139 HydrophobicContact CG2-CD2 4.22Å; I76-Y139 HydrophobicContact CG2-CE2 4.45Å; F77-Y139 AromaticContact CD2-CD2 3.93Å; F77-Y139 HydrophobicContact CD2-CD2 3.93Å; F77-Y139 HydrophobicContact CD2-CG 4.36Å; F77-Y139 HydrophobicContact CE2-CD2 4.2Å; L111-Y139 HydrophobicContact CB-CE1 4.21Å; L111-Y139 HydrophobicContact CD2-CE1 4.44Å; L111-Y139 VanDerWaalsContact O-CE1 3.26Å; L111-Y139 WeakPolarHBondContact O-CE1 3.44Å; L111-Y139 PolarHBondContact O-OH 3.26Å; H135-Y139 WeakPolarHBondContact O-CB 3.35Å; H135-Y139 PolarHBondContact O-N 2.79Å; F136-Y139 HydrophobicContact CD2-CD1 4.08Å; F136-Y139 HydrophobicContact CE2-CD1 4.16Å; F136-Y139 HydrophobicContact CE2-CE1 4.3Å; F136-Y139 PolarHBondContact O-N 3.04Å; Y139-R141 PolarHBondContact O-N 3.09Å; Y139-T142 WeakPolarHBondContact O-CB 3.29Å; Y139-T142 PolarHBondContact O-N 2.84Å; Y139-V143 HydrophobicContact CD2-CG1 4.01Å; Y139-V143 HydrophobicContact CE2-CG1 3.58Å; Y139-V143 HydrophobicContact CE2-CG2 4.45Å; Y139-V143 PolarHBondContact O-N 2.7Å; Y139-V143 VanDerWaalsContact O-N 3.07Å
140	A	98.9	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-47.5	-180	0	0	0	0	0	111.5	L111 F136 E137 T142 V143 F144 A196	L111-A140 HydrophobicContact CD1-CB 3.94Å; F136-A140 WeakPolarHBondContact O-CB 3.45Å; F136-A140 PolarHBondContact O-N 3.47Å; E137-A140 PolarHBondContact O-N 3.12Å; A140-T142 VanDerWaalsContact C-N 3.31Å; A140-T142 PolarHBondContact O-N 2.57Å; A140-V143 WeakPolarHBondContact O-CG2 3.26Å; A140-V143 PolarHBondContact O-N 3.21Å; A140-F144 HydrophobicContact CB-CD2 4.4Å; A140-F144 HydrophobicContact CB-CE2 3.88Å; A140-F144 HydrophobicContact CB-CZ 4.22Å; A140-F144 WeakPolarHBondContact O-CB 3.22Å; A140-F144 WeakPolarHBondContact O-CD2 3.31Å; A140-F144 WeakPolarHBondContact O-CG 3.47Å; A140-F144 PolarHBondContact O-N 3.25Å; A140-A196 HydrophobicContact CB-CB 4.14Å
141	R	98.8	Very high	98.6	Very high	82 Å²	82	40.5 Å²	40.5	31%	0.309	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-40.3	176.3	-75.3	177.1	178.6	-73.1	-2.2	112.4	E137 H138 Y139 T145 A199 L203	E137-R141 HydrophobicContact CG-CG 4.34Å; E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 VanDerWaalsContact O-CG 3.28Å; E137-R141 WeakPolarHBondContact O-CG 3.27Å; E137-R141 PolarHBondContact O-N 3.35Å; E137-R141 IonicContact OE1-CZ 3.57Å; E137-R141 VanDerWaalsContact OE1-CZ 3.22Å; E137-R141 IonicContact OE1-NE 3.59Å; E137-R141 PolarHBondContact OE1-NE 3.26Å; E137-R141 IonicContact OE1-NH2 3.59Å; E137-R141 PolarHBondContact OE1-NH2 3.22Å; H138-R141 PolarHBondContact O-N 3.22Å; Y139-R141 PolarHBondContact O-N 3.09Å; R141-T145 VanDerWaalsContact O-CB 3.31Å; R141-T145 WeakPolarHBondContact O-CB 3.37Å; R141-T145 PolarHBondContact O-N 2.73Å; R141-T145 PolarHBondContact O-OG1 2.78Å; R141-A199 HydrophobicContact CG-CB 3.83Å; R141-L203 HydrophobicContact CB-CD1 4.38Å; R141-L203 HydrophobicContact CG-CD1 4.25Å
142	T	98.9	Very high	98.5	Very high	25 Å²	25	41.7 Å²	41.7	15%	0.153	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-51.8	178.1	-63	0	0	0	0	110.8	I76 F77 P85 L90 H138 Y139 A140 T145 R146	I76-T142 HydrophobicContact CG2-CG2 4.33Å; F77-T142 HydrophobicContact CE2-CG2 4.17Å; F77-T142 HydrophobicContact CZ-CG2 4.24Å; P85-T142 HydrophobicContact CB-CG2 3.91Å; P85-T142 HydrophobicContact CG-CG2 3.9Å; L90-T142 HydrophobicContact CD2-CG2 4.29Å; H138-T142 WeakPolarHBondContact O-CB 3.42Å; H138-T142 PolarHBondContact O-N 3.42Å; H138-T142 PolarHBondContact O-OG1 2.53Å; Y139-T142 WeakPolarHBondContact O-CB 3.29Å; Y139-T142 PolarHBondContact O-N 2.84Å; A140-T142 VanDerWaalsContact C-N 3.31Å; A140-T142 PolarHBondContact O-N 2.57Å; T142-T145 PolarHBondContact O-N 2.83Å; T142-R146 WeakPolarHBondContact O-CB 3.49Å; T142-R146 PolarHBondContact O-N 2.94Å
143	V	98.9	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73.2	-34.1	-178.2	-59.3	0	0	0	0	112.7	I71 I76 L111 Y139 A140 T145 R146 Y147 W154	I71-V143 HydrophobicContact CD1-CB 4.08Å; I71-V143 HydrophobicContact CD1-CG1 4.19Å; I71-V143 HydrophobicContact CD1-CG2 4.48Å; I71-V143 HydrophobicContact CG2-CG1 4.31Å; I76-V143 HydrophobicContact CG1-CG1 4.27Å; I76-V143 HydrophobicContact CG2-CG1 4.4Å; L111-V143 HydrophobicContact CD2-CG2 3.4Å; L111-V143 VanDerWaalsContact CD2-CG2 3.4Å; Y139-V143 HydrophobicContact CD2-CG1 4.01Å; Y139-V143 HydrophobicContact CE2-CG1 3.58Å; Y139-V143 HydrophobicContact CE2-CG2 4.45Å; Y139-V143 PolarHBondContact O-N 2.7Å; Y139-V143 VanDerWaalsContact O-N 3.07Å; A140-V143 WeakPolarHBondContact O-CG2 3.26Å; A140-V143 PolarHBondContact O-N 3.21Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.19Å; V143-R146 PolarHBondContact O-N 2.72Å; V143-Y147 HydrophobicContact CB-CD2 3.87Å; V143-Y147 HydrophobicContact CB-CE2 3.75Å; V143-Y147 HydrophobicContact CG1-CE2 3.97Å; V143-Y147 WeakPolarHBondContact O-CD2 3.25Å; V143-Y147 PolarHBondContact O-N 2.82Å; V143-W154 HydrophobicContact CG2-CH2 4.35Å; V143-W154 HydrophobicContact CG2-CZ3 4.09Å
144	F	98.8	Very high	98.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-45.6	170.8	-66.3	-28.3	0	0	0	111.1	L111 A140 Q148 W154 A196 A199 C200 L203 L204 I209	L111-F144 HydrophobicContact CD1-CE1 3.97Å; L111-F144 HydrophobicContact CD1-CZ 3.68Å; L111-F144 HydrophobicContact CD2-CE1 4.16Å; L111-F144 HydrophobicContact CG-CE1 4.48Å; A140-F144 HydrophobicContact CB-CD2 4.4Å; A140-F144 HydrophobicContact CB-CE2 3.88Å; A140-F144 HydrophobicContact CB-CZ 4.22Å; A140-F144 WeakPolarHBondContact O-CB 3.22Å; A140-F144 WeakPolarHBondContact O-CD2 3.31Å; A140-F144 WeakPolarHBondContact O-CG 3.47Å; A140-F144 PolarHBondContact O-N 3.25Å; F144-Q148 WeakPolarHBondContact O-CA 3.44Å; F144-Q148 WeakPolarHBondContact O-CB 3.46Å; F144-Q148 PolarHBondContact O-N 2.84Å; F144-W154 AromaticContact CD1-CD2 3.81Å; F144-W154 HydrophobicContact CD1-CD2 3.81Å; F144-W154 AromaticContact CD1-CE2 3.67Å; F144-W154 AromaticContact CD1-CE3 3.98Å; F144-W154 HydrophobicContact CD1-CE3 3.98Å; F144-W154 HydrophobicContact CD1-CG 4.42Å; F144-W154 AromaticContact CD1-CH2 3.9Å; F144-W154 HydrophobicContact CD1-CH2 3.9Å; F144-W154 AromaticContact CD1-CZ2 3.72Å; F144-W154 HydrophobicContact CD1-CZ2 3.72Å; F144-W154 HydrophobicContact CD1-CZ3 4.02Å; F144-W154 HydrophobicContact CE1-CB 4.38Å; F144-W154 AromaticContact CE1-CD2 3.55Å; F144-W154 HydrophobicContact CE1-CD2 3.55Å; F144-W154 AromaticContact CE1-CE2 3.91Å; F144-W154 AromaticContact CE1-CE3 3.68Å; F144-W154 HydrophobicContact CE1-CE3 3.68Å; F144-W154 AromaticContact CE1-CG 3.88Å; F144-W154 HydrophobicContact CE1-CG 3.88Å; F144-W154 HydrophobicContact CE1-CH2 4.44Å; F144-W154 HydrophobicContact CE1-CZ2 4.34Å; F144-W154 HydrophobicContact CE1-CZ3 4.13Å; F144-A196 HydrophobicContact CE2-CB 4.49Å; F144-A196 VanDerWaalsContact CE2-O 3.31Å; F144-A196 WeakPolarHBondContact CE2-O 3.44Å; F144-A199 HydrophobicContact CD2-CB 4.31Å; F144-A199 HydrophobicContact CE2-CB 4.22Å; F144-C200 HydrophobicContact CD2-CB 4.19Å; F144-C200 HydrophobicContact CE1-CB 4.26Å; F144-C200 HydrophobicContact CE2-CB 3.69Å; F144-C200 HydrophobicContact CZ-CB 3.71Å; F144-L203 HydrophobicContact CB-CD1 4.07Å; F144-L203 HydrophobicContact CD2-CD1 4.46Å; F144-L204 HydrophobicContact CB-CD1 3.99Å; F144-L204 HydrophobicContact CB-CG 4.46Å; F144-L204 HydrophobicContact CD1-CD1 4.22Å; F144-L204 HydrophobicContact CG-CD1 4.3Å; F144-I209 HydrophobicContact CE1-CD1 4.47Å; F144-I209 HydrophobicContact CZ-CD1 3.85Å
145	T	98.6	Very high	98.6	Very high	67 Å²	67	38.2 Å²	38.2	41%	0.411	19%	0.186	S	C	.	.	H	α-helix	trans	-67.6	-44.2	-179.7	-56.5	0	0	0	0	111.5	R141 T142 V143 Q148	R141-T145 VanDerWaalsContact O-CB 3.31Å; R141-T145 WeakPolarHBondContact O-CB 3.37Å; R141-T145 PolarHBondContact O-N 2.73Å; R141-T145 PolarHBondContact O-OG1 2.78Å; T142-T145 PolarHBondContact O-N 2.83Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.19Å; T145-Q148 WeakPolarHBondContact O-CG 3.36Å; T145-Q148 PolarHBondContact O-NE2 3.22Å
146	R	98.7	Very high	98.6	Very high	95 Å²	95	36.6 Å²	36.6	36%	0.358	18%	0.179	S	C	.	.	H	α-helix	trans	-64.5	-45.3	-179.6	-176.2	62	176	-135.7	-3.7	111.9	E87 L90 D94 T142 V143	E87-R146 IonicContact OE1-CZ 3.71Å; E87-R146 VanDerWaalsContact OE1-CZ 3.3Å; E87-R146 IonicContact OE1-NH1 2.79Å; E87-R146 PolarHBondContact OE1-NH1 2.94Å; E87-R146 IonicContact OE1-NH2 3.64Å; E87-R146 PolarHBondContact OE1-NH2 2.97Å; E87-R146 IonicContact OE2-NH1 2.68Å; E87-R146 PolarHBondContact OE2-NH1 3.3Å; L90-R146 HydrophobicContact CD2-CB 4.31Å; L90-R146 HydrophobicContact CD2-CG 4.19Å; D94-R146 IonicContact OD1-NE 3.71Å; D94-R146 IonicContact OD2-CZ 2.99Å; D94-R146 IonicContact OD2-NE 3.68Å; D94-R146 PolarHBondContact OD2-NE 3.43Å; D94-R146 IonicContact OD2-NH2 2.64Å; D94-R146 PolarHBondContact OD2-NH2 2.84Å; T142-R146 WeakPolarHBondContact O-CB 3.49Å; T142-R146 PolarHBondContact O-N 2.94Å; V143-R146 PolarHBondContact O-N 2.72Å
147	Y	98.6	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	18.3	-172.5	-47.5	-57.3	0	0	0	113.9	I71 L90 Y93 F97 V143 H149 K150 V151 W154	I71-Y147 HydrophobicContact CD1-CD2 3.85Å; I71-Y147 HydrophobicContact CD1-CE2 3.56Å; L90-Y147 VanDerWaalsContact CA-OH 3.28Å; L90-Y147 WeakPolarHBondContact CA-OH 3.48Å; L90-Y147 HydrophobicContact CD2-CE2 4.49Å; L90-Y147 WeakPolarHBondContact CD2-OH 3.44Å; L90-Y147 PolarHBondContact O-OH 3.25Å; L90-Y147 VanDerWaalsContact O-OH 3.07Å; Y93-Y147 WeakPolarHBondContact CB-OH 3.23Å; F97-Y147 AromaticContact CD2-CD1 3.65Å; F97-Y147 HydrophobicContact CD2-CD1 3.65Å; F97-Y147 HydrophobicContact CD2-CE1 4.03Å; F97-Y147 AromaticContact CD2-CG 3.92Å; F97-Y147 HydrophobicContact CD2-CG 3.92Å; F97-Y147 AromaticContact CE2-CD1 3.76Å; F97-Y147 HydrophobicContact CE2-CD1 3.76Å; F97-Y147 AromaticContact CE2-CD2 3.81Å; F97-Y147 HydrophobicContact CE2-CD2 3.81Å; F97-Y147 HydrophobicContact CE2-CE1 4.01Å; F97-Y147 HydrophobicContact CE2-CE2 4.07Å; F97-Y147 AromaticContact CE2-CG 3.67Å; F97-Y147 HydrophobicContact CE2-CG 3.67Å; V143-Y147 HydrophobicContact CB-CD2 3.87Å; V143-Y147 HydrophobicContact CB-CE2 3.75Å; V143-Y147 HydrophobicContact CG1-CE2 3.97Å; V143-Y147 WeakPolarHBondContact O-CD2 3.25Å; V143-Y147 PolarHBondContact O-N 2.82Å; Y147-H149 PolarHBondContact O-N 3.23Å; Y147-K150 PolarHBondContact O-N 3.43Å; Y147-V151 PolarHBondContact O-N 3.42Å; Y147-W154 HydrophobicContact CD2-CH2 4.18Å
148	Q	97.7	Very high	98.5	Very high	86 Å²	86	35.4 Å²	35.4	40%	0.402	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-27.3	-175.3	63.5	-178.7	-64.1	0	0	115.3	F144 T145 L204	F144-Q148 WeakPolarHBondContact O-CA 3.44Å; F144-Q148 WeakPolarHBondContact O-CB 3.46Å; F144-Q148 PolarHBondContact O-N 2.84Å; T145-Q148 WeakPolarHBondContact O-CG 3.36Å; T145-Q148 PolarHBondContact O-NE2 3.22Å; Q148-L204 VanDerWaalsContact CA-CD2 3.43Å; Q148-L204 HydrophobicContact CB-CD2 3.17Å
149	H	97.2	Very high	98.3	Very high	171 Å²	171	32.8 Å²	32.8	79%	0.792	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-2.6	179.7	-57.1	-44.8	0	0	0	113.7	Y147	Y147-H149 PolarHBondContact O-N 3.23Å
150	K	98.3	Very high	98.1	Very high	60 Å²	60	32.9 Å²	32.9	26%	0.261	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-31.6	-175.2	-60.3	-172.1	175.5	-173.4	0	112.6	D94 F97 D98 P107 Y147	D94-K150 PolarHBondContact O-NZ 2.81Å; D94-K150 WeakPolarHBondContact OD1-CE 3.23Å; D94-K150 IonicContact OD1-NZ 3.37Å; D94-K150 PolarHBondContact OD1-NZ 3.26Å; F97-K150 HydrophobicContact CB-CB 4.14Å; F97-K150 HydrophobicContact CB-CD 3.92Å; D98-K150 WeakPolarHBondContact OD1-CE 3.46Å; D98-K150 IonicContact OD1-NZ 3.29Å; D98-K150 PolarHBondContact OD1-NZ 3.13Å; D98-K150 IonicContact OD2-NZ 3.61Å; D98-K150 PolarHBondContact OD2-NZ 2.82Å; P107-K150 WeakPolarHBondContact CG-O 3.39Å; Y147-K150 PolarHBondContact O-N 3.43Å
151	V	98.6	Very high	97.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	16%	0.164	C	C	.	.			trans	-125.1	120	-174.4	-175.2	0	0	0	0	110.7	F97 P107 V109 Y147 L153 W154	F97-V151 HydrophobicContact CD1-CG2 4.21Å; F97-V151 HydrophobicContact CD2-CG2 3.97Å; F97-V151 HydrophobicContact CE1-CG2 4.02Å; F97-V151 HydrophobicContact CE2-CG2 3.79Å; F97-V151 HydrophobicContact CG-CG2 4.2Å; F97-V151 HydrophobicContact CZ-CG2 3.83Å; P107-V151 HydrophobicContact CB-CG2 4.13Å; P107-V151 HydrophobicContact CG-CB 4.17Å; P107-V151 HydrophobicContact CG-CG1 4.3Å; P107-V151 HydrophobicContact CG-CG2 3.67Å; V109-V151 HydrophobicContact CB-CG1 4.03Å; V109-V151 HydrophobicContact CG2-CB 4.42Å; V109-V151 HydrophobicContact CG2-CG1 3.56Å; V109-V151 HydrophobicContact CG2-CG2 3.92Å; Y147-V151 PolarHBondContact O-N 3.42Å; V151-L153 WeakPolarHBondContact CG1-O 3.18Å; V151-W154 HydrophobicContact CB-CH2 3.98Å; V151-W154 HydrophobicContact CB-CZ2 3.46Å; V151-W154 VanDerWaalsContact CB-CZ2 3.46Å; V151-W154 HydrophobicContact CG1-CD2 3.8Å; V151-W154 HydrophobicContact CG1-CE3 4.21Å; V151-W154 HydrophobicContact CG1-CG 4.41Å; V151-W154 HydrophobicContact CG1-CH2 3.96Å; V151-W154 HydrophobicContact CG1-CZ2 3.5Å; V151-W154 VanDerWaalsContact CG1-CZ2 3.5Å; V151-W154 HydrophobicContact CG1-CZ3 4.28Å; V151-W154 HydrophobicContact CG2-CH2 4.34Å; V151-W154 HydrophobicContact CG2-CZ2 4.28Å; V151-W154 PolarHBondContact O-NE1 3.19Å
152	A	97.4	Very high	97	Very high	56 Å²	56	31.8 Å²	31.8	46%	0.463	16%	0.161	S	C	.	.			trans	-111.5	-8.1	177.4	0	0	0	0	0	113.4	A207 K208	A152-A207 CarbonylContact O-C 3.56Å; A152-A207 WeakPolarHBondContact O-CA 3.32Å; A152-K208 PolarHBondContact O-N 2.85Å
153	L	98.7	Very high	96.6	Very high	19 Å²	19	30.7 Å²	30.7	10%	0.099	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.4	-178	-64	169.2	0	0	0	110.1	L9 L108 V109 V151 K208 M390	L9-L153 HydrophobicContact CD1-CD1 3.64Å; L108-L153 WeakPolarHBondContact CA-O 3.48Å; L108-L153 HydrophobicContact CB-CB 4.37Å; L108-L153 HydrophobicContact CD1-CB 3.65Å; V109-L153 PolarHBondContact N-O 3.49Å; V151-L153 WeakPolarHBondContact CG1-O 3.18Å; L153-K208 WeakPolarHBondContact CA-O 3.46Å; L153-K208 HydrophobicContact CD2-CB 3.94Å; L153-M390 HydrophobicContact CD2-CE 3.99Å
154	W	98.9	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.2	-174.3	-59.2	90.2	0	0	0	111.3	I71 V109 L111 V143 F144 Y147 V151 L204 K208 I209 G210	I71-W154 HydrophobicContact CD1-CZ3 4.29Å; V109-W154 HydrophobicContact CB-CD2 4.46Å; V109-W154 HydrophobicContact CB-CE3 3.71Å; V109-W154 HydrophobicContact CB-CZ3 3.87Å; V109-W154 HydrophobicContact CG1-CE3 3.83Å; V109-W154 HydrophobicContact CG1-CZ3 3.65Å; V109-W154 CarbonylContact O-C 3.52Å; V109-W154 VanDerWaalsContact O-CA 3.3Å; V109-W154 WeakPolarHBondContact O-CA 3.25Å; L111-W154 HydrophobicContact CD2-CE3 3.89Å; L111-W154 HydrophobicContact CD2-CZ3 3.88Å; L111-W154 HydrophobicContact CG-CE3 4.33Å; V143-W154 HydrophobicContact CG2-CH2 4.35Å; V143-W154 HydrophobicContact CG2-CZ3 4.09Å; F144-W154 AromaticContact CD1-CD2 3.81Å; F144-W154 HydrophobicContact CD1-CD2 3.81Å; F144-W154 AromaticContact CD1-CE2 3.67Å; F144-W154 AromaticContact CD1-CE3 3.98Å; F144-W154 HydrophobicContact CD1-CE3 3.98Å; F144-W154 HydrophobicContact CD1-CG 4.42Å; F144-W154 AromaticContact CD1-CH2 3.9Å; F144-W154 HydrophobicContact CD1-CH2 3.9Å; F144-W154 AromaticContact CD1-CZ2 3.72Å; F144-W154 HydrophobicContact CD1-CZ2 3.72Å; F144-W154 HydrophobicContact CD1-CZ3 4.02Å; F144-W154 HydrophobicContact CE1-CB 4.38Å; F144-W154 AromaticContact CE1-CD2 3.55Å; F144-W154 HydrophobicContact CE1-CD2 3.55Å; F144-W154 AromaticContact CE1-CE2 3.91Å; F144-W154 AromaticContact CE1-CE3 3.68Å; F144-W154 HydrophobicContact CE1-CE3 3.68Å; F144-W154 AromaticContact CE1-CG 3.88Å; F144-W154 HydrophobicContact CE1-CG 3.88Å; F144-W154 HydrophobicContact CE1-CH2 4.44Å; F144-W154 HydrophobicContact CE1-CZ2 4.34Å; F144-W154 HydrophobicContact CE1-CZ3 4.13Å; Y147-W154 HydrophobicContact CD2-CH2 4.18Å; V151-W154 HydrophobicContact CB-CH2 3.98Å; V151-W154 HydrophobicContact CB-CZ2 3.46Å; V151-W154 VanDerWaalsContact CB-CZ2 3.46Å; V151-W154 HydrophobicContact CG1-CD2 3.8Å; V151-W154 HydrophobicContact CG1-CE3 4.21Å; V151-W154 HydrophobicContact CG1-CG 4.41Å; V151-W154 HydrophobicContact CG1-CH2 3.96Å; V151-W154 HydrophobicContact CG1-CZ2 3.5Å; V151-W154 VanDerWaalsContact CG1-CZ2 3.5Å; V151-W154 HydrophobicContact CG1-CZ3 4.28Å; V151-W154 HydrophobicContact CG2-CH2 4.34Å; V151-W154 HydrophobicContact CG2-CZ2 4.28Å; V151-W154 PolarHBondContact O-NE1 3.19Å; W154-L204 HydrophobicContact CZ2-CD1 4.28Å; W154-K208 PolarHBondContact N-O 3.35Å; W154-I209 HydrophobicContact CB-CB 4.15Å; W154-I209 HydrophobicContact CB-CD1 4.16Å; W154-I209 HydrophobicContact CB-CG1 3.95Å; W154-I209 CarbonylContact O-C 3.5Å; W154-I209 WeakPolarHBondContact O-CA 3.32Å; W154-G210 PolarHBondContact O-N 3.23Å
155	L	98.9	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.4	165.6	-53	177.6	0	0	0	108	L108 V109 T110 L111 G210 N211 M212 F281 S283 V347	L108-L155 HydrophobicContact CD1-CD1 4.39Å; L108-L155 HydrophobicContact CD1-CD2 4.14Å; L108-L155 HydrophobicContact CD1-CG 3.92Å; L108-L155 HydrophobicContact CD2-CD1 4.34Å; L108-L155 HydrophobicContact CG-CD1 4.39Å; L108-L155 HydrophobicContact CG-CG 4.4Å; V109-L155 PolarHBondContact O-N 3.49Å; T110-L155 WeakPolarHBondContact CA-O 3.06Å; T110-L155 HydrophobicContact CG2-CB 4.35Å; L111-L155 PolarHBondContact N-O 3.26Å; L155-G210 WeakPolarHBondContact CA-O 3.22Å; L155-N211 WeakPolarHBondContact CD2-O 3.36Å; L155-M212 HydrophobicContact CD1-CB 4.38Å; L155-M212 HydrophobicContact CD1-CG 4.37Å; L155-F281 HydrophobicContact CD2-CE2 3.54Å; L155-F281 HydrophobicContact CD2-CZ 3.5Å; L155-F281 VanDerWaalsContact CD2-CZ 3.5Å; L155-S283 WeakPolarHBondContact CD2-OG 3.36Å; L155-V347 HydrophobicContact CD1-CG1 4.31Å; L155-V347 HydrophobicContact CD1-CG2 4.37Å
156	T	98.8	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-70.2	179.4	52.9	0	0	0	0	111.9	L111 S112 S193 A196 V197 I209 G210	L111-T156 WeakPolarHBondContact CB-O 3.45Å; S112-T156 PolarHBondContact N-O 3.04Å; T156-S193 WeakPolarHBondContact CB-OG 3.26Å; T156-S193 WeakPolarHBondContact CG2-OG 3.39Å; T156-S193 PolarHBondContact OG1-OG 3.27Å; T156-A196 HydrophobicContact CG2-CB 4.09Å; T156-V197 HydrophobicContact CG2-CG2 4.37Å; T156-I209 HydrophobicContact CG2-CD1 3.63Å; T156-I209 HydrophobicContact CG2-CG1 3.96Å; T156-G210 PolarHBondContact N-O 3.41Å
157	F	98.7	Very high	95.1	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.1	-178.1	-67.3	-88.4	0	0	0	110.2	W127 F136 I160 Q189 A192 M212	W127-F157 HydrophobicContact CH2-CE1 4.01Å; W127-F157 AromaticContact CH2-CZ 3.55Å; W127-F157 HydrophobicContact CH2-CZ 3.55Å; W127-F157 AromaticContact CZ2-CE1 3.49Å; W127-F157 HydrophobicContact CZ2-CE1 3.49Å; W127-F157 VanDerWaalsContact CZ2-CE1 3.49Å; W127-F157 AromaticContact CZ2-CZ 3.55Å; W127-F157 HydrophobicContact CZ2-CZ 3.55Å; F136-F157 HydrophobicContact CD1-CE2 4.21Å; F136-F157 AromaticContact CD1-CZ 3.81Å; F136-F157 HydrophobicContact CD1-CZ 3.81Å; F136-F157 HydrophobicContact CD2-CE1 4.18Å; F136-F157 AromaticContact CD2-CZ 3.85Å; F136-F157 HydrophobicContact CD2-CZ 3.85Å; F136-F157 AromaticContact CE1-CE2 3.59Å; F136-F157 HydrophobicContact CE1-CE2 3.59Å; F136-F157 AromaticContact CE1-CZ 3.53Å; F136-F157 HydrophobicContact CE1-CZ 3.53Å; F136-F157 AromaticContact CE2-CE1 3.86Å; F136-F157 HydrophobicContact CE2-CE1 3.86Å; F136-F157 HydrophobicContact CE2-CE2 4.29Å; F136-F157 AromaticContact CE2-CZ 3.61Å; F136-F157 HydrophobicContact CE2-CZ 3.61Å; F136-F157 AromaticContact CG-CZ 3.94Å; F136-F157 HydrophobicContact CG-CZ 3.94Å; F136-F157 HydrophobicContact CZ-CD2 4.4Å; F136-F157 HydrophobicContact CZ-CE1 4.04Å; F136-F157 AromaticContact CZ-CE2 3.64Å; F136-F157 HydrophobicContact CZ-CE2 3.64Å; F136-F157 AromaticContact CZ-CZ 3.42Å; F136-F157 HydrophobicContact CZ-CZ 3.42Å; F136-F157 VanDerWaalsContact CZ-CZ 3.42Å; F157-I160 HydrophobicContact CB-CD1 4.03Å; F157-I160 HydrophobicContact CB-CG1 3.55Å; F157-I160 HydrophobicContact CD2-CD1 4.25Å; F157-I160 HydrophobicContact CG-CD1 4.34Å; F157-I160 HydrophobicContact CG-CG1 4.16Å; F157-Q189 HydrophobicContact CD1-CG 4.37Å; F157-Q189 HydrophobicContact CE1-CG 4.02Å; F157-Q189 HydrophobicContact CE2-CB 4.42Å; F157-Q189 WeakPolarHBondContact CE2-O 3.32Å; F157-Q189 HydrophobicContact CZ-CB 4.36Å; F157-Q189 HydrophobicContact CZ-CG 4.22Å; F157-A192 HydrophobicContact CE2-CB 4.37Å; F157-A192 HydrophobicContact CZ-CB 4.3Å; F157-M212 VanDerWaalsContact O-CB 3.29Å; F157-M212 WeakPolarHBondContact O-CB 3.28Å
158	N	98.1	Very high	94.9	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.032	18%	0.181	C	C	.	.	S	Bend	trans	-77.5	121.9	165	-166.6	75.3	0	0	0	110.4	R68 T110 S112 H113 Y114 I160 M212 E348	R68-N158 PolarHBondContact NH2-OD1 3.3Å; T110-N158 HydrophobicContact CG2-CB 4.23Å; S112-N158 PolarHBondContact O-N 3.14Å; H113-N158 HydrophobicContact CB-CB 4.23Å; H113-N158 WeakPolarHBondContact CD2-CB 3.17Å; H113-N158 PolarHBondContact NE2-ND2 2.91Å; H113-N158 PolarHBondContact NE2-OD1 2.82Å; Y114-N158 WeakPolarHBondContact CE2-ND2 3.36Å; Y114-N158 VanDerWaalsContact CZ-ND2 3.28Å; Y114-N158 PolarHBondContact OH-ND2 3Å; Y114-N158 VanDerWaalsContact OH-ND2 3.14Å; N158-I160 PolarHBondContact O-N 3.35Å; N158-M212 VanDerWaalsContact OD1-CE 3.3Å; N158-M212 WeakPolarHBondContact OD1-CE 3.39Å; N158-M212 PolarHBondContact OD1-SD 3.03Å; N158-E348 PolarHBondContact OD1-OE1 3.4Å
159	E	94.8	Very high	94.7	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.07	17%	0.167	C	C	.	.			trans	36.9	69.7	171.6	-47.2	174.2	145.1	0	0	114	Y114 N161 M162 M212 L214 S285	Y114-E159 WeakPolarHBondContact OH-CB 3.41Å; Y114-E159 PolarHBondContact OH-OE2 2.68Å; E159-N161 WeakPolarHBondContact CA-OD1 2.9Å; E159-N161 WeakPolarHBondContact CB-OD1 3.43Å; E159-N161 PolarHBondContact O-N 2.95Å; E159-M162 HydrophobicContact CB-CB 4.39Å; E159-M162 HydrophobicContact CB-CG 3.85Å; E159-M162 WeakPolarHBondContact O-CB 3.18Å; E159-M162 PolarHBondContact O-N 2.83Å; E159-M162 WeakPolarHBondContact OE2-CG 3.24Å; E159-M212 WeakPolarHBondContact CA-O 3.38Å; E159-M212 HydrophobicContact CB-SD 4.39Å; E159-M212 HydrophobicContact CG-CE 3.8Å; E159-M212 HydrophobicContact CG-SD 3.3Å; E159-M212 WeakPolarHBondContact CG-SD 3.31Å; E159-M212 PolarHBondContact N-O 2.86Å; E159-M212 VanDerWaalsContact N-O 3.16Å; E159-L214 HydrophobicContact CB-CB 4.3Å; E159-L214 HydrophobicContact CG-CB 4.03Å; E159-L214 WeakPolarHBondContact OE1-CD1 3.32Å; E159-S285 WeakPolarHBondContact OE1-CB 3.3Å; E159-S285 PolarHBondContact OE1-OG 3.49Å
160	I	94	Very high	94.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-48.8	-32.3	178	-63.4	176.8	0	0	0	111.7	F157 N158 M162 S163 I186 Q189 L190 F241	F157-I160 HydrophobicContact CB-CD1 4.03Å; F157-I160 HydrophobicContact CB-CG1 3.55Å; F157-I160 HydrophobicContact CD2-CD1 4.25Å; F157-I160 HydrophobicContact CG-CD1 4.34Å; F157-I160 HydrophobicContact CG-CG1 4.16Å; N158-I160 PolarHBondContact O-N 3.35Å; I160-M162 VanDerWaalsContact C-N 3.26Å; I160-M162 PolarHBondContact O-N 3.37Å; I160-S163 WeakPolarHBondContact O-CB 3.23Å; I160-S163 PolarHBondContact O-N 2.65Å; I160-S163 PolarHBondContact O-OG 3.14Å; I160-I186 HydrophobicContact CG2-CB 4.37Å; I160-I186 HydrophobicContact CG2-CG1 4.15Å; I160-I186 HydrophobicContact CG2-CG2 3.86Å; I160-Q189 HydrophobicContact CD1-CB 4.46Å; I160-Q189 HydrophobicContact CG2-CB 4.4Å; I160-L190 HydrophobicContact CD1-CD2 3.91Å; I160-L190 HydrophobicContact CD1-CG 4.5Å; I160-F241 HydrophobicContact CB-CD1 3.84Å; I160-F241 HydrophobicContact CB-CE1 4.2Å; I160-F241 HydrophobicContact CG2-CD1 3.62Å; I160-F241 HydrophobicContact CG2-CE1 3.68Å
161	N	88.4	Confident	94.4	Very high	9 Å²	9	21.7 Å²	21.7	5%	0.048	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.6	-22.9	178	66.7	-76.9	0	0	0	114.7	E159 S163 L164 L214 F241	E159-N161 WeakPolarHBondContact CA-OD1 2.9Å; E159-N161 WeakPolarHBondContact CB-OD1 3.43Å; E159-N161 PolarHBondContact O-N 2.95Å; N161-S163 PolarHBondContact O-N 3.39Å; N161-L164 WeakPolarHBondContact O-CB 3.21Å; N161-L164 PolarHBondContact O-N 3.48Å; N161-L214 WeakPolarHBondContact ND2-CB 3.46Å; N161-L214 WeakPolarHBondContact ND2-CD2 3.36Å; N161-F241 HydrophobicContact CB-CD1 4.45Å; N161-F241 HydrophobicContact CB-CD2 3.7Å; N161-F241 HydrophobicContact CB-CE1 4.06Å; N161-F241 HydrophobicContact CB-CE2 3.25Å; N161-F241 HydrophobicContact CB-CG 4.29Å; N161-F241 HydrophobicContact CB-CZ 3.45Å; N161-F241 VanDerWaalsContact CB-CZ 3.45Å
162	M	86.7	Confident	94.3	Very high	51 Å²	51	21.7 Å²	21.7	25%	0.251	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-63.9	-18.8	175.4	-78.8	-59.3	-61.1	0	0	112.7	Y114 E159 I160 L164 H165 A166 L214	Y114-M162 HydrophobicContact CE1-CB 4.1Å; Y114-M162 VanDerWaalsContact OH-CB 3.25Å; Y114-M162 WeakPolarHBondContact OH-CB 3.37Å; Y114-M162 WeakPolarHBondContact OH-CG 3.45Å; E159-M162 HydrophobicContact CB-CB 4.39Å; E159-M162 HydrophobicContact CB-CG 3.85Å; E159-M162 WeakPolarHBondContact O-CB 3.18Å; E159-M162 PolarHBondContact O-N 2.83Å; E159-M162 WeakPolarHBondContact OE2-CG 3.24Å; I160-M162 VanDerWaalsContact C-N 3.26Å; I160-M162 PolarHBondContact O-N 3.37Å; M162-L164 PolarHBondContact O-N 2.96Å; M162-H165 HydrophobicContact CE-CB 4.21Å; M162-H165 PolarHBondContact O-N 3.13Å; M162-A166 PolarHBondContact O-N 2.71Å; M162-L214 HydrophobicContact SD-CD2 4.08Å
163	S	90.1	Very high	94.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-58	-25.8	170.9	-50.9	0	0	0	0	113.3	I160 N161 H165 P167 V171 V182	I160-S163 WeakPolarHBondContact O-CB 3.23Å; I160-S163 PolarHBondContact O-N 2.65Å; I160-S163 PolarHBondContact O-OG 3.14Å; N161-S163 PolarHBondContact O-N 3.39Å; S163-H165 VanDerWaalsContact C-N 3.29Å; S163-P167 WeakPolarHBondContact O-CA 3.14Å; S163-P167 WeakPolarHBondContact O-CD 3.39Å; S163-P167 WeakPolarHBondContact O-CG 3.39Å; S163-V171 WeakPolarHBondContact OG-CG1 3.13Å; S163-V182 VanDerWaalsContact O-CG1 3.25Å; S163-V182 WeakPolarHBondContact O-CG1 3.47Å
164	L	90.1	Very high	94.1	Very high	53 Å²	53	20.8 Å²	20.8	28%	0.277	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-76.1	-15.9	174.9	-63.5	171.4	0	0	0	113.1	N161 M162 V182 Y183 I186 F241	N161-L164 WeakPolarHBondContact O-CB 3.21Å; N161-L164 PolarHBondContact O-N 3.48Å; M162-L164 PolarHBondContact O-N 2.96Å; L164-V182 HydrophobicContact CD2-CG1 3.89Å; L164-Y183 HydrophobicContact CD1-CE1 4.44Å; L164-Y183 HydrophobicContact CD2-CD2 4.44Å; L164-Y183 HydrophobicContact CD2-CE1 4.09Å; L164-Y183 HydrophobicContact CD2-CE2 3.99Å; L164-I186 HydrophobicContact CD2-CD1 3.8Å; L164-I186 HydrophobicContact CG-CD1 3.9Å; L164-F241 HydrophobicContact CD1-CZ 4.02Å
165	H	87.4	Confident	93.8	Very high	140 Å²	140	25.8 Å²	25.8	65%	0.648	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-30	-176.9	-63.6	-61.9	0	0	0	113.3	M162 S163	M162-H165 HydrophobicContact CE-CB 4.21Å; M162-H165 PolarHBondContact O-N 3.13Å; S163-H165 VanDerWaalsContact C-N 3.29Å
166	A	91	Very high	93.5	Very high	22 Å²	22	33.6 Å²	33.6	18%	0.182	18%	0.176	C	C	.	.			trans	-140.7	72.6	176.5	0	0	0	0	0	110.3	M162 F168 T169 G170 E175	M162-A166 PolarHBondContact O-N 2.71Å; A166-F168 PolarHBondContact O-N 2.76Å; A166-F168 VanDerWaalsContact O-N 3.14Å; A166-T169 PolarHBondContact O-N 3.36Å; A166-G170 PolarHBondContact O-N 2.86Å; A166-E175 WeakPolarHBondContact CA-OE2 3.18Å
167	P	94.4	Very high	93.3	Very high	9 Å²	9	35 Å²	35	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-49.9	-36.6	-177.1	-29.1	31.5	0	0	0	115	S163 T169 V171 G172 L173 E175 V182	S163-P167 WeakPolarHBondContact O-CA 3.14Å; S163-P167 WeakPolarHBondContact O-CD 3.39Å; S163-P167 WeakPolarHBondContact O-CG 3.39Å; P167-T169 PolarHBondContact O-N 2.79Å; P167-V171 HydrophobicContact CB-CG2 4.21Å; P167-V171 CarbonylContact O-C 3.46Å; P167-V171 WeakPolarHBondContact O-CA 3.39Å; P167-V171 WeakPolarHBondContact O-CG2 3.41Å; P167-V171 PolarHBondContact O-N 2.55Å; P167-G172 PolarHBondContact O-N 3.34Å; P167-L173 CarbonylContact C-O 3.59Å; P167-L173 HydrophobicContact CB-CB 4.01Å; P167-L173 PolarHBondContact O-N 2.97Å; P167-L173 VanDerWaalsContact O-N 3.16Å; P167-E175 VanDerWaalsContact CD-OE2 3.22Å; P167-E175 WeakPolarHBondContact CD-OE2 3.33Å; P167-V182 HydrophobicContact CB-CG2 4.2Å; P167-V182 HydrophobicContact CG-CG2 3.99Å
168	F	95.2	Very high	93.1	Very high	39 Å²	39	36.6 Å²	36.6	17%	0.171	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-42.3	179.2	-176.8	-109.5	0	0	0	112.1	T32 L35 Y118 V121 A166 G172 L173 E175	T32-F168 HydrophobicContact CG2-CE1 4.32Å; T32-F168 HydrophobicContact CG2-CE2 4.4Å; T32-F168 HydrophobicContact CG2-CZ 4.15Å; T32-F168 WeakPolarHBondContact O-CE1 3.25Å; L35-F168 HydrophobicContact CB-CE1 4.01Å; L35-F168 HydrophobicContact CB-CZ 4.01Å; L35-F168 HydrophobicContact CD1-CZ 4.06Å; Y118-F168 HydrophobicContact CD2-CE2 4.5Å; Y118-F168 HydrophobicContact CD2-CZ 4.36Å; Y118-F168 HydrophobicContact CE2-CE2 4.26Å; Y118-F168 HydrophobicContact CE2-CZ 4.34Å; V121-F168 HydrophobicContact CG1-CE2 4.3Å; A166-F168 PolarHBondContact O-N 2.76Å; A166-F168 VanDerWaalsContact O-N 3.14Å; F168-G172 VanDerWaalsContact O-CA 3.26Å; F168-G172 WeakPolarHBondContact O-CA 3.22Å; F168-G172 PolarHBondContact O-N 2.64Å; F168-G172 VanDerWaalsContact O-N 3.14Å; F168-L173 WeakPolarHBondContact CA-O 3.35Å; F168-L173 VanDerWaalsContact CB-O 3.23Å; F168-L173 WeakPolarHBondContact CB-O 3.2Å; F168-L173 PolarHBondContact N-O 3.19Å; F168-E175 HydrophobicContact CB-CG 4.36Å; F168-E175 VanDerWaalsContact CB-OE1 3.3Å; F168-E175 WeakPolarHBondContact CB-OE1 3.41Å
169	T	92.8	Very high	92.9	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.104	22%	0.219	C	C	.	.	H	α-helix	trans	-75.5	-42.5	-178.7	-59.8	0	0	0	0	111.7	Q36 Y114 A166 P167	Q36-T169 PolarHBondContact NE2-OG1 2.8Å; Y114-T169 HydrophobicContact CD1-CG2 3.91Å; Y114-T169 HydrophobicContact CD2-CG2 4.42Å; Y114-T169 HydrophobicContact CG-CG2 3.73Å; A166-T169 PolarHBondContact O-N 3.36Å; P167-T169 PolarHBondContact O-N 2.79Å
170	G	92.9	Very high	92.9	Very high	10 Å²	10	41.3 Å²	41.3	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-79.5	-43.9	-175	0	0	0	0	0	114	A166 Q189	A166-G170 PolarHBondContact O-N 2.86Å; G170-Q189 PolarHBondContact O-NE2 3Å
171	V	96.7	Very high	93	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-129.5	0.6	-171.4	-80.3	0	0	0	0	114.3	W127 S163 P167 L173 A185 Q189	W127-V171 HydrophobicContact CB-CB 3.92Å; W127-V171 HydrophobicContact CB-CG1 3.97Å; W127-V171 WeakPolarHBondContact CB-O 3.46Å; W127-V171 HydrophobicContact CG-CB 4.42Å; W127-V171 HydrophobicContact CG-CG1 4.31Å; W127-V171 PolarHBondContact N-O 3.27Å; S163-V171 WeakPolarHBondContact OG-CG1 3.13Å; P167-V171 HydrophobicContact CB-CG2 4.21Å; P167-V171 CarbonylContact O-C 3.46Å; P167-V171 WeakPolarHBondContact O-CA 3.39Å; P167-V171 WeakPolarHBondContact O-CG2 3.41Å; P167-V171 PolarHBondContact O-N 2.55Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-L173 HydrophobicContact CB-CG 4.35Å; V171-L173 HydrophobicContact CG2-CB 4.24Å; V171-L173 HydrophobicContact CG2-CD1 3.93Å; V171-L173 HydrophobicContact CG2-CG 3.86Å; V171-A185 HydrophobicContact CB-CB 3.81Å; V171-A185 HydrophobicContact CG1-CB 3.75Å; V171-A185 HydrophobicContact CG2-CB 4.2Å; V171-Q189 HydrophobicContact CG1-CG 4.47Å
172	G	97.2	Very high	93.5	Very high	3 Å²	3	46 Å²	46	3%	0.031	25%	0.254	C	S	.	.	S	Bend	trans	69.9	28.2	180	0	0	0	0	0	113.6	V121 P167 F168	V121-G172 WeakPolarHBondContact CG1-O 3.29Å; P167-G172 PolarHBondContact O-N 3.34Å; F168-G172 VanDerWaalsContact O-CA 3.26Å; F168-G172 WeakPolarHBondContact O-CA 3.22Å; F168-G172 PolarHBondContact O-N 2.64Å; F168-G172 VanDerWaalsContact O-N 3.14Å
173	L	97	Very high	94	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	24%	0.243	C	C	.	.			trans	-101.5	164.1	175	-60.4	-176.6	0	0	0	111.5	G125 A128 P167 F168 V171 E181 V182 A185	G125-L173 VanDerWaalsContact O-CD2 3.22Å; G125-L173 WeakPolarHBondContact O-CD2 3.33Å; A128-L173 HydrophobicContact CB-CD1 4.45Å; A128-L173 HydrophobicContact CB-CD2 3.51Å; P167-L173 CarbonylContact C-O 3.59Å; P167-L173 HydrophobicContact CB-CB 4.01Å; P167-L173 PolarHBondContact O-N 2.97Å; P167-L173 VanDerWaalsContact O-N 3.16Å; F168-L173 WeakPolarHBondContact CA-O 3.35Å; F168-L173 VanDerWaalsContact CB-O 3.23Å; F168-L173 WeakPolarHBondContact CB-O 3.2Å; F168-L173 PolarHBondContact N-O 3.19Å; V171-L173 VanDerWaalsContact C-N 3.32Å; V171-L173 HydrophobicContact CB-CG 4.35Å; V171-L173 HydrophobicContact CG2-CB 4.24Å; V171-L173 HydrophobicContact CG2-CD1 3.93Å; V171-L173 HydrophobicContact CG2-CG 3.86Å; L173-E181 HydrophobicContact CD1-CB 4.47Å; L173-V182 HydrophobicContact CD1-CG2 4.26Å; L173-A185 HydrophobicContact CD1-CB 3.86Å
174	A	94.6	Very high	94.4	Very high	43 Å²	43	45 Å²	45	36%	0.355	25%	0.248	S	C	.	.			trans	-64.7	148.5	173.2	0	0	0	0	0	110.1	E176 S177	A174-E176 VanDerWaalsContact CB-CD 3.49Å; A174-E176 HydrophobicContact CB-CG 4.31Å; A174-E176 WeakPolarHBondContact CB-OE2 3.37Å; A174-E176 PolarHBondContact O-N 3.39Å; A174-E176 VanDerWaalsContact O-N 3.16Å; A174-S177 VanDerWaalsContact O-CB 3.28Å; A174-S177 WeakPolarHBondContact O-CB 3.11Å; A174-S177 PolarHBondContact O-N 3.07Å; A174-S177 PolarHBondContact O-OG 3.35Å
175	E	91.4	Very high	94.8	Very high	105 Å²	105	42.4 Å²	42.4	49%	0.491	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.1	-177.8	-64.2	-67.6	173.4	0	0	111.9	A166 P167 F168	A166-E175 WeakPolarHBondContact CA-OE2 3.18Å; P167-E175 VanDerWaalsContact CD-OE2 3.22Å; P167-E175 WeakPolarHBondContact CD-OE2 3.33Å; F168-E175 HydrophobicContact CB-CG 4.36Å; F168-E175 VanDerWaalsContact CB-OE1 3.3Å; F168-E175 WeakPolarHBondContact CB-OE1 3.41Å
176	E	93	Very high	95.3	Very high	164 Å²	164	35.8 Å²	35.8	77%	0.766	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	2.7	176.6	70	-86	-160.3	0	0	115	A174	A174-E176 VanDerWaalsContact CB-CD 3.49Å; A174-E176 HydrophobicContact CB-CG 4.31Å; A174-E176 WeakPolarHBondContact CB-OE2 3.37Å; A174-E176 PolarHBondContact O-N 3.39Å; A174-E176 VanDerWaalsContact O-N 3.16Å
177	S	95.1	Very high	95.6	Very high	29 Å²	29	34.8 Å²	34.8	20%	0.203	20%	0.195	C	C	.	.			trans	-57.2	144.1	179.4	-90.8	0	0	0	0	112.4	A174 E181	A174-S177 VanDerWaalsContact O-CB 3.28Å; A174-S177 WeakPolarHBondContact O-CB 3.11Å; A174-S177 PolarHBondContact O-N 3.07Å; A174-S177 PolarHBondContact O-OG 3.35Å; S177-E181 WeakPolarHBondContact CB-OE2 3.04Å; S177-E181 PolarHBondContact OG-OE2 3.24Å; S177-E181 VanDerWaalsContact OG-OE2 3.13Å
178	G	94.1	Very high	95.8	Very high	37 Å²	37	34.7 Å²	34.7	38%	0.381	19%	0.194	S	C	.	.			trans	-68.5	150.4	-178.6	0	0	0	0	0	112.3	A180 E181 V182	G178-A180 PolarHBondContact O-N 2.85Å; G178-A180 VanDerWaalsContact O-N 3.15Å; G178-E181 PolarHBondContact N-OE2 2.79Å; G178-E181 WeakPolarHBondContact O-CB 3.35Å; G178-E181 PolarHBondContact O-N 3.01Å; G178-V182 PolarHBondContact O-N 2.83Å; G178-V182 VanDerWaalsContact O-N 3.11Å
179	E	93.2	Very high	96	Very high	81 Å²	81	33 Å²	33	38%	0.379	19%	0.187	S	C	.	.	H	α-helix	trans	-54.4	-38.6	-178.5	-174.9	173.6	-159.4	0	0	112.6	V182 Y183 I263	E179-V182 PolarHBondContact O-N 3.13Å; E179-Y183 HydrophobicContact CG-CD2 3.68Å; E179-Y183 HydrophobicContact CG-CE2 3.44Å; E179-Y183 VanDerWaalsContact CG-CE2 3.44Å; E179-Y183 WeakPolarHBondContact O-CD2 3.15Å; E179-Y183 PolarHBondContact O-N 2.75Å; E179-Y183 WeakPolarHBondContact OE1-CE2 3.31Å; E179-I263 HydrophobicContact CG-CD1 4.02Å
180	A	95.9	Very high	96.3	Very high	40 Å²	40	32.2 Å²	32.2	33%	0.331	18%	0.182	S	C	.	.	H	α-helix	trans	-64.9	-38.9	177	0	0	0	0	0	113.4	G178 Y183 Q184 I263	G178-A180 PolarHBondContact O-N 2.85Å; G178-A180 VanDerWaalsContact O-N 3.15Å; A180-Y183 PolarHBondContact O-N 2.87Å; A180-Q184 PolarHBondContact O-N 3.47Å; A180-I263 HydrophobicContact CB-CG1 4.34Å; A180-I263 HydrophobicContact CB-CG2 4.31Å
181	E	96.6	Very high	96.5	Very high	105 Å²	105	31.8 Å²	31.8	49%	0.491	18%	0.177	S	C	.	.	H	α-helix	trans	-65.6	-42.4	176.5	-61.6	177.7	160.7	0	0	110.5	L173 S177 G178 Q184 A185	L173-E181 HydrophobicContact CD1-CB 4.47Å; S177-E181 WeakPolarHBondContact CB-OE2 3.04Å; S177-E181 PolarHBondContact OG-OE2 3.24Å; S177-E181 VanDerWaalsContact OG-OE2 3.13Å; G178-E181 PolarHBondContact N-OE2 2.79Å; G178-E181 WeakPolarHBondContact O-CB 3.35Å; G178-E181 PolarHBondContact O-N 3.01Å; E181-Q184 PolarHBondContact O-N 2.9Å; E181-A185 PolarHBondContact O-N 3.15Å
182	V	97.2	Very high	96.6	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-43.3	176.9	179.4	0	0	0	0	110.9	S163 L164 P167 L173 G178 E179 Q184 A185 I186	S163-V182 VanDerWaalsContact O-CG1 3.25Å; S163-V182 WeakPolarHBondContact O-CG1 3.47Å; L164-V182 HydrophobicContact CD2-CG1 3.89Å; P167-V182 HydrophobicContact CB-CG2 4.2Å; P167-V182 HydrophobicContact CG-CG2 3.99Å; L173-V182 HydrophobicContact CD1-CG2 4.26Å; G178-V182 PolarHBondContact O-N 2.83Å; G178-V182 VanDerWaalsContact O-N 3.11Å; E179-V182 PolarHBondContact O-N 3.13Å; V182-Q184 VanDerWaalsContact C-N 3.35Å; V182-Q184 PolarHBondContact O-N 3.48Å; V182-A185 PolarHBondContact O-N 2.77Å; V182-I186 HydrophobicContact CG1-CD1 3.93Å; V182-I186 HydrophobicContact CG1-CG1 4.5Å; V182-I186 WeakPolarHBondContact O-CB 3.3Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.26Å; V182-I186 PolarHBondContact O-N 2.89Å
183	Y	97.5	Very high	96.7	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-67	-33.2	175.3	-80.7	-71	0	0	0	113.3	L164 E179 A180 A185 I186 H187 F240 M254 F257 F258 I263	L164-Y183 HydrophobicContact CD1-CE1 4.44Å; L164-Y183 HydrophobicContact CD2-CD2 4.44Å; L164-Y183 HydrophobicContact CD2-CE1 4.09Å; L164-Y183 HydrophobicContact CD2-CE2 3.99Å; E179-Y183 HydrophobicContact CG-CD2 3.68Å; E179-Y183 HydrophobicContact CG-CE2 3.44Å; E179-Y183 VanDerWaalsContact CG-CE2 3.44Å; E179-Y183 WeakPolarHBondContact O-CD2 3.15Å; E179-Y183 PolarHBondContact O-N 2.75Å; E179-Y183 WeakPolarHBondContact OE1-CE2 3.31Å; A180-Y183 PolarHBondContact O-N 2.87Å; Y183-A185 VanDerWaalsContact C-N 3.34Å; Y183-I186 HydrophobicContact CD1-CD1 4.22Å; Y183-I186 PolarHBondContact O-N 3.38Å; Y183-H187 WeakPolarHBondContact O-CB 3.46Å; Y183-H187 PolarHBondContact O-N 3.09Å; Y183-F240 HydrophobicContact CD1-CZ 4.39Å; Y183-F240 HydrophobicContact CE1-CE1 4.06Å; Y183-F240 AromaticContact CE1-CZ 3.85Å; Y183-F240 HydrophobicContact CE1-CZ 3.85Å; Y183-M254 HydrophobicContact CE1-CE 4.17Å; Y183-F257 AromaticContact CE2-CE1 3.89Å; Y183-F257 HydrophobicContact CE2-CE1 3.89Å; Y183-F257 AromaticContact CZ-CE1 3.82Å; Y183-F257 WeakPolarHBondContact OH-CE1 3.37Å; Y183-F258 AromaticContact CD1-CE1 3.71Å; Y183-F258 HydrophobicContact CD1-CE1 3.71Å; Y183-F258 HydrophobicContact CD1-CZ 4.09Å; Y183-F258 HydrophobicContact CD2-CE1 4.23Å; Y183-F258 AromaticContact CE1-CE1 3.88Å; Y183-F258 HydrophobicContact CE1-CE1 3.88Å; Y183-F258 HydrophobicContact CE1-CZ 4.42Å; Y183-F258 HydrophobicContact CE2-CE1 4.39Å; Y183-F258 AromaticContact CG-CE1 3.91Å; Y183-F258 HydrophobicContact CG-CE1 3.91Å; Y183-I263 HydrophobicContact CD2-CD1 3.62Å; Y183-I263 HydrophobicContact CD2-CG1 4.42Å; Y183-I263 HydrophobicContact CD2-CG2 4.23Å; Y183-I263 HydrophobicContact CE2-CD1 3.64Å; Y183-I263 HydrophobicContact CG-CG2 4.44Å
184	Q	98.3	Very high	96.8	Very high	25 Å²	25	31.3 Å²	31.3	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-41.9	172.4	-174	63.2	43.4	0	0	110.8	A180 E181 V182 H187 H188 E266	A180-Q184 PolarHBondContact O-N 3.47Å; E181-Q184 PolarHBondContact O-N 2.9Å; V182-Q184 VanDerWaalsContact C-N 3.35Å; V182-Q184 PolarHBondContact O-N 3.48Å; Q184-H187 WeakPolarHBondContact O-CB 3.31Å; Q184-H187 PolarHBondContact O-N 3.34Å; Q184-H188 PolarHBondContact NE2-NE2 2.83Å; Q184-H188 PolarHBondContact O-N 2.85Å; Q184-H188 VanDerWaalsContact O-N 3.09Å; Q184-E266 PolarHBondContact NE2-O 3.07Å; Q184-E266 VanDerWaalsContact NE2-O 3.12Å
185	A	98.4	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-41	175.4	0	0	0	0	0	112.9	W127 V171 L173 E181 V182 Y183 H187 H188 Q189	W127-A185 HydrophobicContact CB-CB 3.73Å; W127-A185 WeakPolarHBondContact O-CA 3.35Å; V171-A185 HydrophobicContact CB-CB 3.81Å; V171-A185 HydrophobicContact CG1-CB 3.75Å; V171-A185 HydrophobicContact CG2-CB 4.2Å; L173-A185 HydrophobicContact CD1-CB 3.86Å; E181-A185 PolarHBondContact O-N 3.15Å; V182-A185 PolarHBondContact O-N 2.77Å; Y183-A185 VanDerWaalsContact C-N 3.34Å; A185-H187 VanDerWaalsContact C-N 3.31Å; A185-H187 PolarHBondContact O-N 2.74Å; A185-H188 PolarHBondContact O-N 3.33Å; A185-Q189 PolarHBondContact O-N 3.12Å
186	I	98	Very high	97.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-41.3	171.3	-73.9	165.5	0	0	0	110.8	I160 L164 V182 Y183 H188 Q189 L190 F241	I160-I186 HydrophobicContact CG2-CB 4.37Å; I160-I186 HydrophobicContact CG2-CG1 4.15Å; I160-I186 HydrophobicContact CG2-CG2 3.86Å; L164-I186 HydrophobicContact CD2-CD1 3.8Å; L164-I186 HydrophobicContact CG-CD1 3.9Å; V182-I186 HydrophobicContact CG1-CD1 3.93Å; V182-I186 HydrophobicContact CG1-CG1 4.5Å; V182-I186 WeakPolarHBondContact O-CB 3.3Å; V182-I186 VanDerWaalsContact O-CG1 3.3Å; V182-I186 WeakPolarHBondContact O-CG1 3.26Å; V182-I186 PolarHBondContact O-N 2.89Å; Y183-I186 HydrophobicContact CD1-CD1 4.22Å; Y183-I186 PolarHBondContact O-N 3.38Å; I186-H188 VanDerWaalsContact C-N 3.32Å; I186-H188 PolarHBondContact O-N 3.4Å; I186-Q189 PolarHBondContact O-N 2.55Å; I186-L190 HydrophobicContact CG2-CD1 3.85Å; I186-L190 HydrophobicContact CG2-CG 4.35Å; I186-L190 WeakPolarHBondContact O-CG 3.49Å; I186-L190 PolarHBondContact O-N 2.87Å; I186-F241 HydrophobicContact CD1-CE1 4.09Å; I186-F241 HydrophobicContact CD1-CZ 4.3Å; I186-F241 HydrophobicContact CG1-CE1 4.41Å; I186-F241 HydrophobicContact CG2-CD1 4.16Å; I186-F241 HydrophobicContact CG2-CE1 3.59Å
187	H	98.4	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-45.8	176	177.1	59.9	0	0	0	111.2	Y183 Q184 A185 Q189 L190 V191 Y250 I265 E266 D271	Y183-H187 WeakPolarHBondContact O-CB 3.46Å; Y183-H187 PolarHBondContact O-N 3.09Å; Q184-H187 WeakPolarHBondContact O-CB 3.31Å; Q184-H187 PolarHBondContact O-N 3.34Å; A185-H187 VanDerWaalsContact C-N 3.31Å; A185-H187 PolarHBondContact O-N 2.74Å; H187-Q189 PolarHBondContact O-N 3.15Å; H187-L190 PolarHBondContact O-N 3.43Å; H187-V191 WeakPolarHBondContact O-CG2 3.47Å; H187-V191 PolarHBondContact O-N 2.79Å; H187-Y250 AromaticContact ND1-CE2 3.74Å; H187-Y250 AromaticContact ND1-CZ 3.73Å; H187-Y250 PolarHBondContact ND1-OH 3.04Å; H187-I265 HydrophobicContact CB-CG2 3.66Å; H187-I265 VanDerWaalsContact CG-CG2 3.47Å; H187-E266 PolarHBondContact CD2-O 3.39Å; H187-D271 IonicContact NE2-OD2 3.63Å
188	H	98.7	Very high	97.8	Very high	8 Å²	8	21 Å²	21	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-40.2	175.1	-63.7	157.4	0	0	0	112.6	W127 A128 I133 Q184 A185 I186 L190 V191 A192	W127-H188 HydrophobicContact CE3-CB 3.85Å; W127-H188 HydrophobicContact CZ3-CB 4.34Å; W127-H188 PolarHBondContact O-ND1 3.23Å; A128-H188 PolarHBondContact O-CE1 3.23Å; A128-H188 VanDerWaalsContact O-CE1 3.27Å; I133-H188 HydrophobicContact CD1-CB 3.91Å; I133-H188 HydrophobicContact CG1-CB 3.83Å; Q184-H188 PolarHBondContact NE2-NE2 2.83Å; Q184-H188 PolarHBondContact O-N 2.85Å; Q184-H188 VanDerWaalsContact O-N 3.09Å; A185-H188 PolarHBondContact O-N 3.33Å; I186-H188 VanDerWaalsContact C-N 3.32Å; I186-H188 PolarHBondContact O-N 3.4Å; H188-L190 PolarHBondContact O-N 3.38Å; H188-V191 PolarHBondContact O-N 2.83Å; H188-A192 VanDerWaalsContact O-CB 3.26Å; H188-A192 WeakPolarHBondContact O-CB 3.41Å; H188-A192 PolarHBondContact O-N 3.07Å
189	Q	98.6	Very high	98	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.095	C	C	.	.	H	α-helix	trans	-63.4	-38.5	173.2	-75.8	-169.6	-7.1	0	0	112.9	W127 F157 I160 G170 V171 A185 I186 H187 A192 S193	W127-Q189 VanDerWaalsContact CD1-NE2 3.32Å; W127-Q189 HydrophobicContact CD2-CG 3.36Å; W127-Q189 HydrophobicContact CE3-CB 4.37Å; W127-Q189 HydrophobicContact CE3-CG 3.54Å; W127-Q189 HydrophobicContact CG-CG 3.84Å; W127-Q189 HydrophobicContact CH2-CG 4.16Å; W127-Q189 HydrophobicContact CZ2-CG 4.02Å; W127-Q189 HydrophobicContact CZ3-CB 4.49Å; W127-Q189 HydrophobicContact CZ3-CG 3.93Å; F157-Q189 HydrophobicContact CD1-CG 4.37Å; F157-Q189 HydrophobicContact CE1-CG 4.02Å; F157-Q189 HydrophobicContact CE2-CB 4.42Å; F157-Q189 WeakPolarHBondContact CE2-O 3.32Å; F157-Q189 HydrophobicContact CZ-CB 4.36Å; F157-Q189 HydrophobicContact CZ-CG 4.22Å; I160-Q189 HydrophobicContact CD1-CB 4.46Å; I160-Q189 HydrophobicContact CG2-CB 4.4Å; G170-Q189 PolarHBondContact O-NE2 3Å; V171-Q189 HydrophobicContact CG1-CG 4.47Å; A185-Q189 PolarHBondContact O-N 3.12Å; I186-Q189 PolarHBondContact O-N 2.55Å; H187-Q189 PolarHBondContact O-N 3.15Å; Q189-A192 PolarHBondContact O-N 2.77Å; Q189-S193 VanDerWaalsContact O-CB 3.26Å; Q189-S193 WeakPolarHBondContact O-CB 3.42Å; Q189-S193 PolarHBondContact O-N 2.8Å
190	L	98.7	Very high	98.3	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-65.6	-42.1	177.4	-70.3	165.9	0	0	0	111.5	I160 I186 H187 H188 S193 A194 F240 V244 Q245 Y250 L275	I160-L190 HydrophobicContact CD1-CD2 3.91Å; I160-L190 HydrophobicContact CD1-CG 4.5Å; I186-L190 HydrophobicContact CG2-CD1 3.85Å; I186-L190 HydrophobicContact CG2-CG 4.35Å; I186-L190 WeakPolarHBondContact O-CG 3.49Å; I186-L190 PolarHBondContact O-N 2.87Å; H187-L190 PolarHBondContact O-N 3.43Å; H188-L190 PolarHBondContact O-N 3.38Å; L190-S193 WeakPolarHBondContact O-CB 3.28Å; L190-S193 PolarHBondContact O-N 3.14Å; L190-A194 PolarHBondContact O-N 2.98Å; L190-A194 VanDerWaalsContact O-N 3.1Å; L190-F240 HydrophobicContact CD1-CE2 4.45Å; L190-V244 HydrophobicContact CB-CG1 4.15Å; L190-V244 HydrophobicContact CD1-CB 4.35Å; L190-V244 HydrophobicContact CD1-CG1 4.1Å; L190-V244 HydrophobicContact CD1-CG2 4.4Å; L190-V244 HydrophobicContact CD2-CB 4.16Å; L190-V244 HydrophobicContact CD2-CG1 4Å; L190-V244 HydrophobicContact CG-CG1 4.31Å; L190-Q245 HydrophobicContact CD2-CG 3.73Å; L190-Y250 WeakPolarHBondContact CD1-OH 3.44Å; L190-L275 HydrophobicContact CB-CD2 4.07Å
191	V	98.8	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.3	-48	173.6	173.8	0	0	0	0	110.7	I133 H187 H188 S193 A194 R195 D271 D274 L275	I133-V191 HydrophobicContact CD1-CB 4.2Å; I133-V191 HydrophobicContact CD1-CG1 4.04Å; I133-V191 HydrophobicContact CG2-CG1 4.25Å; H187-V191 WeakPolarHBondContact O-CG2 3.47Å; H187-V191 PolarHBondContact O-N 2.79Å; H188-V191 PolarHBondContact O-N 2.83Å; V191-S193 VanDerWaalsContact C-N 3.3Å; V191-S193 PolarHBondContact O-N 3.38Å; V191-A194 PolarHBondContact O-N 3.2Å; V191-A194 VanDerWaalsContact O-N 3.07Å; V191-R195 WeakPolarHBondContact O-CG 3.34Å; V191-R195 PolarHBondContact O-N 3.2Å; V191-D271 WeakPolarHBondContact CG1-OD1 3.36Å; V191-D271 HydrophobicContact CG2-CB 3.74Å; V191-D271 WeakPolarHBondContact CG2-OD1 3.26Å; V191-D274 HydrophobicContact CG1-CB 4.14Å; V191-L275 HydrophobicContact CG2-CD2 4.27Å; V191-L275 HydrophobicContact CG2-CG 4.42Å
192	A	98.8	Very high	98.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-37.7	178.1	0	0	0	0	0	112.4	W127 I133 F136 F157 H188 Q189 A194 R195 A196	W127-A192 HydrophobicContact CH2-CB 3.56Å; W127-A192 HydrophobicContact CZ3-CB 3.59Å; I133-A192 HydrophobicContact CB-CB 4.42Å; I133-A192 HydrophobicContact CG1-CB 4.44Å; I133-A192 HydrophobicContact CG2-CB 4.03Å; F136-A192 HydrophobicContact CB-CB 4.5Å; F136-A192 HydrophobicContact CD1-CB 3.79Å; F136-A192 HydrophobicContact CE1-CB 4.46Å; F136-A192 HydrophobicContact CG-CB 4.42Å; F157-A192 HydrophobicContact CE2-CB 4.37Å; F157-A192 HydrophobicContact CZ-CB 4.3Å; H188-A192 VanDerWaalsContact O-CB 3.26Å; H188-A192 WeakPolarHBondContact O-CB 3.41Å; H188-A192 PolarHBondContact O-N 3.07Å; Q189-A192 PolarHBondContact O-N 2.77Å; A192-A194 VanDerWaalsContact C-N 3.35Å; A192-R195 PolarHBondContact O-N 2.97Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.21Å
193	S	98.8	Very high	98.5	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-58.7	-47.4	171.9	178.8	0	0	0	0	110.5	T156 Q189 L190 V191 A196 V197 Q245	T156-S193 WeakPolarHBondContact CB-OG 3.26Å; T156-S193 WeakPolarHBondContact CG2-OG 3.39Å; T156-S193 PolarHBondContact OG1-OG 3.27Å; Q189-S193 VanDerWaalsContact O-CB 3.26Å; Q189-S193 WeakPolarHBondContact O-CB 3.42Å; Q189-S193 PolarHBondContact O-N 2.8Å; L190-S193 WeakPolarHBondContact O-CB 3.28Å; L190-S193 PolarHBondContact O-N 3.14Å; V191-S193 VanDerWaalsContact C-N 3.3Å; V191-S193 PolarHBondContact O-N 3.38Å; S193-A196 PolarHBondContact O-N 3.39Å; S193-V197 VanDerWaalsContact O-CG2 3.31Å; S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 2.72Å; S193-Q245 PolarHBondContact OG-NE2 2.91Å
194	A	98.9	Very high	98.5	Very high	5 Å²	5	19 Å²	19	4%	0.041	10%	0.099	C	C	.	.	H	α-helix	trans	-68.9	-36.7	-178.2	0	0	0	0	0	112.3	L190 V191 A192 V197 K198 D274 L275 H277	L190-A194 PolarHBondContact O-N 2.98Å; L190-A194 VanDerWaalsContact O-N 3.1Å; V191-A194 PolarHBondContact O-N 3.2Å; V191-A194 VanDerWaalsContact O-N 3.07Å; A192-A194 VanDerWaalsContact C-N 3.35Å; A194-V197 WeakPolarHBondContact O-CB 3.4Å; A194-V197 PolarHBondContact O-N 2.95Å; A194-K198 PolarHBondContact O-N 2.93Å; A194-D274 WeakPolarHBondContact CB-O 3.35Å; A194-L275 HydrophobicContact CB-CD2 4.35Å; A194-H277 HydrophobicContact CB-CB 4.37Å; A194-H277 WeakPolarHBondContact O-CB 3.15Å
195	R	98.8	Very high	98.4	Very high	33 Å²	33	22.5 Å²	22.5	13%	0.125	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-40.2	170.7	-68.6	-171.5	-178.6	-175.5	1.8	112.7	D134 E137 V191 A192 V197 K198 A199 D274	D134-R195 IonicContact OD1-NH1 3.91Å; D134-R195 PolarHBondContact OD1-NH1 3.46Å; E137-R195 WeakPolarHBondContact OE2-CD 3.43Å; E137-R195 IonicContact OE2-NH1 2.83Å; V191-R195 WeakPolarHBondContact O-CG 3.34Å; V191-R195 PolarHBondContact O-N 3.2Å; A192-R195 PolarHBondContact O-N 2.97Å; R195-V197 VanDerWaalsContact C-N 3.34Å; R195-K198 WeakPolarHBondContact O-CB 3.31Å; R195-K198 PolarHBondContact O-N 3.21Å; R195-A199 WeakPolarHBondContact O-CB 3.26Å; R195-A199 PolarHBondContact O-N 2.88Å; R195-D274 HydrophobicContact CG-CB 4.21Å; R195-D274 IonicContact CZ-OD2 3.22Å; R195-D274 IonicContact NE-OD1 3.87Å; R195-D274 IonicContact NE-OD2 3.52Å; R195-D274 PolarHBondContact NE-OD2 2.72Å; R195-D274 IonicContact NH2-OD2 2.8Å; R195-D274 PolarHBondContact NH2-OD2 3.09Å
196	A	98.9	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-38	173.8	0	0	0	0	0	111.9	L111 F136 A140 F144 T156 A192 S193 A199 C200	L111-A196 HydrophobicContact CD1-CB 4.38Å; F136-A196 HydrophobicContact CE1-CB 3.85Å; A140-A196 HydrophobicContact CB-CB 4.14Å; F144-A196 HydrophobicContact CE2-CB 4.49Å; F144-A196 VanDerWaalsContact CE2-O 3.31Å; F144-A196 WeakPolarHBondContact CE2-O 3.44Å; T156-A196 HydrophobicContact CG2-CB 4.09Å; A192-A196 WeakPolarHBondContact O-CB 3.46Å; A192-A196 PolarHBondContact O-N 3.21Å; S193-A196 PolarHBondContact O-N 3.39Å; A196-A199 PolarHBondContact O-N 2.98Å; A196-C200 VanDerWaalsContact O-CB 3.26Å; A196-C200 WeakPolarHBondContact O-CB 3.38Å; A196-C200 PolarHBondContact O-N 3.42Å
197	V	98.9	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-51	172	171.1	0	0	0	0	110.7	T156 S193 A194 R195 A199 C200 H201 I209 H277 T278 V279	T156-V197 HydrophobicContact CG2-CG2 4.37Å; S193-V197 VanDerWaalsContact O-CG2 3.31Å; S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 2.72Å; A194-V197 WeakPolarHBondContact O-CB 3.4Å; A194-V197 PolarHBondContact O-N 2.95Å; R195-V197 VanDerWaalsContact C-N 3.34Å; V197-A199 VanDerWaalsContact C-N 3.34Å; V197-A199 PolarHBondContact O-N 3.3Å; V197-C200 WeakPolarHBondContact O-CB 3.4Å; V197-C200 PolarHBondContact O-N 2.87Å; V197-H201 PolarHBondContact O-N 3.47Å; V197-I209 HydrophobicContact CB-CG2 4.16Å; V197-I209 HydrophobicContact CG1-CG2 3.96Å; V197-I209 HydrophobicContact CG2-CD1 4.27Å; V197-I209 HydrophobicContact CG2-CG1 4.26Å; V197-I209 HydrophobicContact CG2-CG2 3.88Å; V197-H277 HydrophobicContact CG1-CB 4.37Å; V197-T278 WeakPolarHBondContact CG1-O 3.31Å; V197-V279 HydrophobicContact CG2-CG1 3.9Å
198	K	98.7	Very high	98.3	Very high	91 Å²	91	35.8 Å²	35.8	40%	0.396	19%	0.185	S	C	.	.	H	α-helix	trans	-56.8	-45.7	176.3	-175.1	-172.4	-167.4	165	0	112.3	A194 R195 S202 H277	A194-K198 PolarHBondContact O-N 2.93Å; R195-K198 WeakPolarHBondContact O-CB 3.31Å; R195-K198 PolarHBondContact O-N 3.21Å; K198-S202 WeakPolarHBondContact O-CB 3.47Å; K198-S202 PolarHBondContact O-N 3.18Å; K198-H277 HydrophobicContact CB-CB 4.15Å; K198-H277 VanDerWaalsContact CD-NE2 3.35Å; K198-H277 WeakPolarHBondContact CD-NE2 3.29Å; K198-H277 WeakPolarHBondContact CE-NE2 3.27Å
199	A	98.7	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-43.8	178.3	0	0	0	0	0	111.7	R141 F144 R195 A196 V197 S202 L203	R141-A199 HydrophobicContact CG-CB 3.83Å; F144-A199 HydrophobicContact CD2-CB 4.31Å; F144-A199 HydrophobicContact CE2-CB 4.22Å; R195-A199 WeakPolarHBondContact O-CB 3.26Å; R195-A199 PolarHBondContact O-N 2.88Å; A196-A199 PolarHBondContact O-N 2.98Å; V197-A199 VanDerWaalsContact C-N 3.34Å; V197-A199 PolarHBondContact O-N 3.3Å; A199-S202 PolarHBondContact O-N 3.45Å; A199-L203 WeakPolarHBondContact O-CB 3.48Å; A199-L203 WeakPolarHBondContact O-CG 3.3Å; A199-L203 PolarHBondContact O-N 2.73Å
200	C	98.7	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58	-54.5	176.8	-174.7	0	0	0	0	110.8	F144 A196 V197 S202 L203 L204 I209	F144-C200 HydrophobicContact CD2-CB 4.19Å; F144-C200 HydrophobicContact CE1-CB 4.26Å; F144-C200 HydrophobicContact CE2-CB 3.69Å; F144-C200 HydrophobicContact CZ-CB 3.71Å; A196-C200 VanDerWaalsContact O-CB 3.26Å; A196-C200 WeakPolarHBondContact O-CB 3.38Å; A196-C200 PolarHBondContact O-N 3.42Å; V197-C200 WeakPolarHBondContact O-CB 3.4Å; V197-C200 PolarHBondContact O-N 2.87Å; C200-S202 VanDerWaalsContact C-N 3.27Å; C200-S202 PolarHBondContact O-N 3.46Å; C200-L203 PolarHBondContact O-N 2.89Å; C200-L204 CarbonylContact O-C 3.53Å; C200-L204 WeakPolarHBondContact O-CA 3.31Å; C200-L204 WeakPolarHBondContact O-CB 3.47Å; C200-L204 PolarHBondContact O-N 2.92Å; C200-I209 HydrophobicContact CB-CB 4.43Å; C200-I209 HydrophobicContact CB-CD1 3.96Å; C200-I209 HydrophobicContact CB-CG2 4.14Å
201	H	98.3	Very high	98.3	Very high	65 Å²	65	35.2 Å²	35.2	30%	0.301	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-32.2	-179.8	-63.9	156.3	0	0	0	113.3	V197 D280	V197-H201 PolarHBondContact O-N 3.47Å; H201-D280 IonicContact CD2-OD2 2.79Å; H201-D280 IonicContact CE1-OD1 3.98Å; H201-D280 IonicContact CE1-OD2 2.76Å; H201-D280 IonicContact NE2-OD1 3.55Å; H201-D280 PolarHBondContact NE2-OD1 3.07Å; H201-D280 IonicContact NE2-OD2 3.27Å; H201-D280 PolarHBondContact NE2-OD2 3.5Å
202	S	98	Very high	98.3	Very high	90 Å²	90	35.2 Å²	35.2	63%	0.629	18%	0.183	S	C	*	.	H	α-helix	trans	-72.1	-35.3	177.1	-179.8	0	0	0	0	113.2	K198 A199 C200	K198-S202 WeakPolarHBondContact O-CB 3.47Å; K198-S202 PolarHBondContact O-N 3.18Å; A199-S202 PolarHBondContact O-N 3.45Å; C200-S202 VanDerWaalsContact C-N 3.27Å; C200-S202 PolarHBondContact O-N 3.46Å
203	L	98	Very high	98.2	Very high	63 Å²	63	35.3 Å²	35.3	33%	0.33	18%	0.183	S	C	.	.	H	α-helix	trans	-92	-33.7	-177.2	-67.7	169.4	0	0	0	111.7	R141 F144 A199 C200	R141-L203 HydrophobicContact CB-CD1 4.38Å; R141-L203 HydrophobicContact CG-CD1 4.25Å; F144-L203 HydrophobicContact CB-CD1 4.07Å; F144-L203 HydrophobicContact CD2-CD1 4.46Å; A199-L203 WeakPolarHBondContact O-CB 3.48Å; A199-L203 WeakPolarHBondContact O-CG 3.3Å; A199-L203 PolarHBondContact O-N 2.73Å; C200-L203 PolarHBondContact O-N 2.89Å
204	L	97.7	Very high	97.8	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.063	19%	0.194	C	C	.	.			trans	-131.5	76.4	-170.1	-48.3	179.6	0	0	0	110.4	F144 Q148 W154 C200 E206 A207	F144-L204 HydrophobicContact CB-CD1 3.99Å; F144-L204 HydrophobicContact CB-CG 4.46Å; F144-L204 HydrophobicContact CD1-CD1 4.22Å; F144-L204 HydrophobicContact CG-CD1 4.3Å; Q148-L204 VanDerWaalsContact CA-CD2 3.43Å; Q148-L204 HydrophobicContact CB-CD2 3.17Å; W154-L204 HydrophobicContact CZ2-CD1 4.28Å; C200-L204 CarbonylContact O-C 3.53Å; C200-L204 WeakPolarHBondContact O-CA 3.31Å; C200-L204 WeakPolarHBondContact O-CB 3.47Å; C200-L204 PolarHBondContact O-N 2.92Å; L204-E206 PolarHBondContact O-N 3.03Å; L204-A207 HydrophobicContact CB-CB 3.55Å; L204-A207 HydrophobicContact CD1-CB 4.12Å; L204-A207 HydrophobicContact CG-CB 4.49Å; L204-A207 WeakPolarHBondContact O-CB 3.36Å; L204-A207 PolarHBondContact O-N 3.32Å
205	P	95.1	Very high	97.1	Very high	99 Å²	99	37.3 Å²	37.3	64%	0.643	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.4	-172.7	-27.6	36.1	0	0	0	115.3
206	E	96.1	Very high	96.5	Very high	175 Å²	175	37 Å²	37	82%	0.818	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-8.3	-179.6	-59	-57.7	142	0	0	113.6	L204	L204-E206 PolarHBondContact O-N 3.03Å
207	A	98.2	Very high	96.2	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	20%	0.202	C	C	.	.			trans	-73.1	154	179.6	0	0	0	0	0	111.3	A152 L204	A152-A207 CarbonylContact O-C 3.56Å; A152-A207 WeakPolarHBondContact O-CA 3.32Å; L204-A207 HydrophobicContact CB-CB 3.55Å; L204-A207 HydrophobicContact CD1-CB 4.12Å; L204-A207 HydrophobicContact CG-CB 4.49Å; L204-A207 WeakPolarHBondContact O-CB 3.36Å; L204-A207 PolarHBondContact O-N 3.32Å
208	K	98.7	Very high	96	Very high	99 Å²	99	38 Å²	38	43%	0.43	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.7	172.1	-61.4	-63.4	-180	-169.1	0	109.4	A152 L153 W154 D280 F281	A152-K208 PolarHBondContact O-N 2.85Å; L153-K208 WeakPolarHBondContact CA-O 3.46Å; L153-K208 HydrophobicContact CD2-CB 3.94Å; W154-K208 PolarHBondContact N-O 3.35Å; K208-D280 WeakPolarHBondContact CA-OD2 3.43Å; K208-D280 HydrophobicContact CB-CB 4.3Å; K208-D280 HydrophobicContact CD-CB 3.81Å; K208-F281 HydrophobicContact CB-CD1 4.07Å; K208-F281 HydrophobicContact CB-CE1 3.99Å
209	I	98.9	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121	179.4	-175.1	162.8	0	0	0	110.9	F144 W154 T156 V197 C200 V279 D280	F144-I209 HydrophobicContact CE1-CD1 4.47Å; F144-I209 HydrophobicContact CZ-CD1 3.85Å; W154-I209 HydrophobicContact CB-CB 4.15Å; W154-I209 HydrophobicContact CB-CD1 4.16Å; W154-I209 HydrophobicContact CB-CG1 3.95Å; W154-I209 CarbonylContact O-C 3.5Å; W154-I209 WeakPolarHBondContact O-CA 3.32Å; T156-I209 HydrophobicContact CG2-CD1 3.63Å; T156-I209 HydrophobicContact CG2-CG1 3.96Å; V197-I209 HydrophobicContact CB-CG2 4.16Å; V197-I209 HydrophobicContact CG1-CG2 3.96Å; V197-I209 HydrophobicContact CG2-CD1 4.27Å; V197-I209 HydrophobicContact CG2-CG1 4.26Å; V197-I209 HydrophobicContact CG2-CG2 3.88Å; C200-I209 HydrophobicContact CB-CB 4.43Å; C200-I209 HydrophobicContact CB-CD1 3.96Å; C200-I209 HydrophobicContact CB-CG2 4.14Å; I209-V279 CarbonylContact O-C 3.59Å; I209-V279 WeakPolarHBondContact O-CA 3.25Å; I209-V279 WeakPolarHBondContact O-CB 3.29Å; I209-D280 WeakPolarHBondContact CG2-OD2 3Å; I209-D280 PolarHBondContact N-OD2 2.98Å; I209-D280 PolarHBondContact O-N 3.15Å
210	G	98.9	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	168.4	-177.8	0	0	0	0	0	112.9	W154 L155 T156 F281	W154-G210 PolarHBondContact O-N 3.23Å; L155-G210 WeakPolarHBondContact CA-O 3.22Å; T156-G210 PolarHBondContact N-O 3.41Å; G210-F281 VanDerWaalsContact CA-O 3.29Å; G210-F281 WeakPolarHBondContact CA-O 3.49Å
211	N	98.5	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	180	158.9	70.6	-7.2	0	0	0	110.3	L155 Q245 V279 I282 S283	L155-N211 WeakPolarHBondContact CD2-O 3.36Å; N211-Q245 HydrophobicContact CB-CB 4.13Å; N211-Q245 VanDerWaalsContact CB-CD 3.45Å; N211-Q245 HydrophobicContact CB-CG 4.41Å; N211-Q245 VanDerWaalsContact CB-NE2 3.33Å; N211-V279 HydrophobicContact CB-CG1 4.15Å; N211-V279 HydrophobicContact CB-CG2 4.33Å; N211-I282 VanDerWaalsContact OD1-CA 3.27Å; N211-I282 WeakPolarHBondContact OD1-CA 3.39Å; N211-S283 VanDerWaalsContact O-CB 3.28Å; N211-S283 WeakPolarHBondContact O-CB 3.37Å; N211-S283 PolarHBondContact O-N 3.14Å; N211-S283 PolarHBondContact O-OG 3.37Å; N211-S283 PolarHBondContact OD1-N 2.89Å; N211-S283 VanDerWaalsContact OD1-N 3.14Å
212	M	98.4	Very high	95.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	119.6	165.4	-163.1	-68.2	-168.5	0	0	109.5	L155 F157 N158 E159 S283 V347 E348	L155-M212 HydrophobicContact CD1-CB 4.38Å; L155-M212 HydrophobicContact CD1-CG 4.37Å; F157-M212 VanDerWaalsContact O-CB 3.29Å; F157-M212 WeakPolarHBondContact O-CB 3.28Å; N158-M212 VanDerWaalsContact OD1-CE 3.3Å; N158-M212 WeakPolarHBondContact OD1-CE 3.39Å; N158-M212 PolarHBondContact OD1-SD 3.03Å; E159-M212 WeakPolarHBondContact CA-O 3.38Å; E159-M212 HydrophobicContact CB-SD 4.39Å; E159-M212 HydrophobicContact CG-CE 3.8Å; E159-M212 HydrophobicContact CG-SD 3.3Å; E159-M212 WeakPolarHBondContact CG-SD 3.31Å; E159-M212 PolarHBondContact N-O 2.86Å; E159-M212 VanDerWaalsContact N-O 3.16Å; M212-S283 CarbonylContact C-O 3.52Å; M212-S283 WeakPolarHBondContact CA-O 3.48Å; M212-S283 WeakPolarHBondContact CA-OG 3.21Å; M212-S283 WeakPolarHBondContact CG-OG 3.37Å; M212-V347 HydrophobicContact CE-CG2 3.93Å; M212-V347 HydrophobicContact CG-CG2 3.65Å; M212-E348 HydrophobicContact CE-CG 3.89Å; M212-E348 WeakPolarHBondContact CE-OE1 3.4Å
213	L	96.5	Very high	95.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.8	-179.7	-56.4	178.1	0	0	0	111.7	G215 W238 F241 I282 S283 F284 S285	L213-G215 PolarHBondContact O-N 2.84Å; L213-W238 HydrophobicContact CD1-CZ3 4.22Å; L213-F241 HydrophobicContact CD2-CB 3.94Å; L213-I282 HydrophobicContact CD1-CG2 3.9Å; L213-S283 PolarHBondContact N-O 3.19Å; L213-F284 HydrophobicContact CB-CB 4.2Å; L213-F284 CarbonylContact O-C 3.31Å; L213-F284 WeakPolarHBondContact O-CA 3.18Å; L213-F284 WeakPolarHBondContact O-CB 3.07Å; L213-S285 PolarHBondContact O-N 2.85Å
214	L	91.6	Very high	95.4	Very high	46 Å²	46	43.2 Å²	43.2	24%	0.241	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	113.3	161.1	176.3	60.2	0	0	0	109.7	E159 N161 M162 G216 S285	E159-L214 HydrophobicContact CB-CB 4.3Å; E159-L214 HydrophobicContact CG-CB 4.03Å; E159-L214 WeakPolarHBondContact OE1-CD1 3.32Å; N161-L214 WeakPolarHBondContact ND2-CB 3.46Å; N161-L214 WeakPolarHBondContact ND2-CD2 3.36Å; M162-L214 HydrophobicContact SD-CD2 4.08Å; L214-G216 PolarHBondContact O-N 3.06Å; L214-S285 WeakPolarHBondContact CA-OG 3.44Å; L214-S285 VanDerWaalsContact CD1-OG 3.29Å; L214-S285 WeakPolarHBondContact CD1-OG 3.24Å
215	G	84.2	Confident	95.4	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	27%	0.266	C	S	.	.			trans	-76	63.7	177.7	0	0	0	0	0	113.4	L213 L217 S285	L213-G215 PolarHBondContact O-N 2.84Å; G215-L217 VanDerWaalsContact C-N 3.29Å; G215-L217 PolarHBondContact O-N 3.11Å; G215-L217 VanDerWaalsContact O-N 3.07Å; G215-S285 WeakPolarHBondContact CA-O 3.4Å; G215-S285 PolarHBondContact N-O 3.38Å
216	G	85.4	Confident	95.5	Very high	25 Å²	25	46.8 Å²	46.8	26%	0.258	26%	0.255	S	S	.	.			trans	-82.4	58.7	179.8	0	0	0	0	0	113.6	L214 V218 W238	L214-G216 PolarHBondContact O-N 3.06Å; G216-V218 PolarHBondContact O-N 3.48Å; G216-W238 PolarHBondContact O-NE1 2.77Å; G216-W238 VanDerWaalsContact O-NE1 3.09Å
217	L	93.6	Very high	95.6	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.042	22%	0.216	C	C	.	.			trans	-65.4	125.5	-178.1	-177.7	67.1	0	0	0	111.3	G215 Y219 T289 G290 V331 L332	G215-L217 VanDerWaalsContact C-N 3.29Å; G215-L217 PolarHBondContact O-N 3.11Å; G215-L217 VanDerWaalsContact O-N 3.07Å; L217-Y219 HydrophobicContact CD2-CE1 3.76Å; L217-Y219 HydrophobicContact CG-CE1 4.08Å; L217-T289 HydrophobicContact CB-CG2 4.09Å; L217-T289 HydrophobicContact CD2-CG2 4.18Å; L217-T289 HydrophobicContact CG-CG2 4.34Å; L217-T289 VanDerWaalsContact O-CA 3.25Å; L217-T289 WeakPolarHBondContact O-CA 3.44Å; L217-T289 WeakPolarHBondContact O-CB 3.24Å; L217-G290 PolarHBondContact O-N 2.78Å; L217-V331 HydrophobicContact CD2-CB 3.92Å; L217-V331 HydrophobicContact CD2-CG1 3.68Å; L217-L332 HydrophobicContact CD2-CB 4.2Å
218	V	94.5	Very high	95.5	Very high	13 Å²	13	43 Å²	43	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.4	173.1	-62.7	0	0	0	0	112.6	G216 E234 N235 G290 V292 M309	G216-V218 PolarHBondContact O-N 3.48Å; V218-E234 HydrophobicContact CG2-CB 3.8Å; V218-N235 PolarHBondContact N-OD1 2.87Å; V218-N235 PolarHBondContact O-ND2 2.94Å; V218-G290 CarbonylContact C-O 3.29Å; V218-G290 VanDerWaalsContact CA-O 3.29Å; V218-G290 WeakPolarHBondContact CA-O 3.17Å; V218-V292 HydrophobicContact CB-CG1 3.97Å; V218-V292 HydrophobicContact CG1-CG1 4.15Å; V218-V292 HydrophobicContact CG2-CG1 3.94Å; V218-V292 HydrophobicContact CG2-CG2 4.2Å; V218-M309 HydrophobicContact CG1-SD 4.31Å
219	Y	96.7	Very high	95.5	Very high	46 Å²	46	42.5 Å²	42.5	18%	0.18	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	153.4	173.8	-53.4	-41.5	0	0	0	111.4	L217 T289 G290 C291 V292 D325 G328	L217-Y219 HydrophobicContact CD2-CE1 3.76Å; L217-Y219 HydrophobicContact CG-CE1 4.08Å; Y219-T289 HydrophobicContact CE1-CG2 4.32Å; Y219-T289 HydrophobicContact CE2-CG2 3.98Å; Y219-T289 VanDerWaalsContact CE2-OG1 3.26Å; Y219-T289 WeakPolarHBondContact CE2-OG1 3.42Å; Y219-T289 WeakPolarHBondContact OH-CG2 3.5Å; Y219-G290 PolarHBondContact N-O 2.73Å; Y219-C291 CarbonylContact O-C 3.44Å; Y219-C291 WeakPolarHBondContact O-CA 3.31Å; Y219-V292 PolarHBondContact O-N 2.79Å; Y219-D325 VanDerWaalsContact CE2-OD2 3.29Å; Y219-D325 WeakPolarHBondContact CE2-OD2 3.32Å; Y219-D325 PolarHBondContact OH-OD2 2.89Å; Y219-G328 WeakPolarHBondContact OH-CA 3.5Å
220	P	96.3	Very high	95.3	Very high	42 Å²	42	44.7 Å²	44.7	27%	0.273	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	132.9	166.3	31.7	-35.3	0	0	0	109.5	T222 D227 M228 A231	P220-T222 VanDerWaalsContact C-N 3.28Å; P220-T222 PolarHBondContact O-N 3.16Å; P220-D227 HydrophobicContact CB-CB 3.99Å; P220-M228 HydrophobicContact CB-SD 3.97Å; P220-M228 HydrophobicContact CG-CE 4.45Å; P220-M228 HydrophobicContact CG-SD 3.51Å; P220-M228 VanDerWaalsContact CG-SD 3.51Å; P220-A231 HydrophobicContact CB-CB 4.01Å; P220-A231 HydrophobicContact CG-CB 4.45Å
221	L	95.4	Very high	95.1	Very high	50 Å²	50	44.9 Å²	44.9	26%	0.262	25%	0.251	S	S	.	.	S	Bend	trans	-63.8	-36.5	179.4	-177.9	64.5	0	0	0	111.7	C291 V292 I298 I310	L221-C291 HydrophobicContact CB-CB 4.33Å; L221-C291 HydrophobicContact CD1-CB 4.16Å; L221-V292 WeakPolarHBondContact CB-O 3.31Å; L221-V292 PolarHBondContact N-O 2.65Å; L221-I298 HydrophobicContact CD2-CD1 4.03Å; L221-I298 HydrophobicContact CD2-CG2 3.98Å; L221-I310 HydrophobicContact CD1-CG2 4.06Å; L221-I310 HydrophobicContact CD2-CG2 4.24Å
222	T	95.7	Very high	95	Very high	53 Å²	53	48.4 Å²	48.4	33%	0.325	27%	0.268	S	S	.	.	S	Bend	trans	-130.9	170.1	176.4	78	0	0	0	0	111.4	P220 Q224 D227	P220-T222 VanDerWaalsContact C-N 3.28Å; P220-T222 PolarHBondContact O-N 3.16Å; T222-Q224 PolarHBondContact O-N 2.92Å; T222-Q224 WeakPolarHBondContact OG1-CB 3.1Å; T222-Q224 VanDerWaalsContact OG1-CG 3.29Å; T222-Q224 WeakPolarHBondContact OG1-CG 3.41Å; T222-Q224 PolarHBondContact OG1-N 3.46Å; T222-D227 WeakPolarHBondContact CB-OD2 3.35Å; T222-D227 PolarHBondContact N-OD2 3.11Å; T222-D227 VanDerWaalsContact N-OD2 3.08Å; T222-D227 PolarHBondContact OG1-OD2 2.81Å
223	C	96.2	Very high	94.9	Very high	121 Å²	121	52.4 Å²	52.4	82%	0.818	29%	0.287	S	S	*	.	S	Bend	trans	-78.3	11	173.5	62.7	0	0	0	0	113.9
224	Q	97	Very high	94.7	Very high	108 Å²	108	54.9 Å²	54.9	51%	0.505	30%	0.299	S	S	.	.			trans	-61.5	134.3	174.3	-71.7	-177.3	33.9	0	0	109.9	T222 Q226 D227 M228	T222-Q224 PolarHBondContact O-N 2.92Å; T222-Q224 WeakPolarHBondContact OG1-CB 3.1Å; T222-Q224 VanDerWaalsContact OG1-CG 3.29Å; T222-Q224 WeakPolarHBondContact OG1-CG 3.41Å; T222-Q224 PolarHBondContact OG1-N 3.46Å; Q224-Q226 PolarHBondContact O-N 2.96Å; Q224-D227 HydrophobicContact CB-CB 4.42Å; Q224-D227 PolarHBondContact O-N 2.77Å; Q224-M228 WeakPolarHBondContact O-CG 3.47Å; Q224-M228 PolarHBondContact O-N 3.02Å
225	P	98.1	Very high	94.9	Very high	95 Å²	95	53.6 Å²	53.6	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-54.5	-29.9	178.6	-28.2	35.6	0	0	0	113.9	M228 L229	P225-M228 WeakPolarHBondContact O-CB 3.24Å; P225-M228 PolarHBondContact O-N 2.63Å; P225-L229 WeakPolarHBondContact O-CB 3.32Å; P225-L229 PolarHBondContact O-N 3.39Å
226	Q	97.5	Very high	95.4	Very high	90 Å²	90	57.5 Å²	57.5	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-70.6	-42.4	177.3	-65.2	76.2	7.7	0	0	112.2	Q224 M228 L229 Q230 H294	Q224-Q226 PolarHBondContact O-N 2.96Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; Q226-L229 PolarHBondContact O-N 2.72Å; Q226-Q230 WeakPolarHBondContact O-CB 3.33Å; Q226-Q230 PolarHBondContact O-N 2.79Å; Q226-H294 HydrophobicContact CB-CB 3.58Å
227	D	96.8	Very high	95.7	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-40.2	172.6	-73	0.1	0	0	0	110.6	P220 T222 Q224 L229 Q230 A231 S293 H294	P220-D227 HydrophobicContact CB-CB 3.99Å; T222-D227 WeakPolarHBondContact CB-OD2 3.35Å; T222-D227 PolarHBondContact N-OD2 3.11Å; T222-D227 VanDerWaalsContact N-OD2 3.08Å; T222-D227 PolarHBondContact OG1-OD2 2.81Å; Q224-D227 HydrophobicContact CB-CB 4.42Å; Q224-D227 PolarHBondContact O-N 2.77Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 3.49Å; D227-Q230 PolarHBondContact O-N 3.37Å; D227-A231 WeakPolarHBondContact O-CB 3.49Å; D227-A231 PolarHBondContact O-N 2.92Å; D227-S293 VanDerWaalsContact OD1-CA 3.27Å; D227-S293 WeakPolarHBondContact OD1-CA 3.34Å; D227-S293 PolarHBondContact OD1-OG 3.12Å; D227-H294 PolarHBondContact OD1-N 3.33Å
228	M	97.6	Very high	95.6	Very high	101 Å²	101	61.7 Å²	61.7	50%	0.498	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-44.5	174.3	-66.4	-65.4	-50.7	0	0	111.8	P220 Q224 P225 Q226 M232	P220-M228 HydrophobicContact CB-SD 3.97Å; P220-M228 HydrophobicContact CG-CE 4.45Å; P220-M228 HydrophobicContact CG-SD 3.51Å; P220-M228 VanDerWaalsContact CG-SD 3.51Å; Q224-M228 WeakPolarHBondContact O-CG 3.47Å; Q224-M228 PolarHBondContact O-N 3.02Å; P225-M228 WeakPolarHBondContact O-CB 3.24Å; P225-M228 PolarHBondContact O-N 2.63Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; M228-M232 PolarHBondContact O-N 2.89Å; M228-M232 VanDerWaalsContact O-N 3.07Å
229	L	97.2	Very high	95.7	Very high	88 Å²	88	61.5 Å²	61.5	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-46.4	177.8	-176.8	66.4	0	0	0	111	P225 Q226 D227 A231 M232 E233	P225-L229 WeakPolarHBondContact O-CB 3.32Å; P225-L229 PolarHBondContact O-N 3.39Å; Q226-L229 PolarHBondContact O-N 2.72Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 3.49Å; L229-A231 PolarHBondContact O-N 2.78Å; L229-M232 HydrophobicContact CD1-CE 3.59Å; L229-M232 WeakPolarHBondContact O-CB 3.44Å; L229-M232 PolarHBondContact O-N 3.33Å; L229-E233 WeakPolarHBondContact O-CG 3.31Å; L229-E233 PolarHBondContact O-N 2.84Å
230	Q	94.9	Very high	95.7	Very high	45 Å²	45	59.4 Å²	59.4	21%	0.21	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-47.1	176.8	-171.6	71.3	33.6	0	0	111.2	Q226 D227 M232 E233 E234 V292	Q226-Q230 WeakPolarHBondContact O-CB 3.33Å; Q226-Q230 PolarHBondContact O-N 2.79Å; D227-Q230 PolarHBondContact O-N 3.37Å; Q230-M232 VanDerWaalsContact C-N 3.3Å; Q230-M232 PolarHBondContact O-N 3.49Å; Q230-E233 PolarHBondContact O-N 3.25Å; Q230-E233 VanDerWaalsContact O-N 3.15Å; Q230-E234 HydrophobicContact CG-CG 4.36Å; Q230-E234 PolarHBondContact NE2-OE1 3.25Å; Q230-E234 WeakPolarHBondContact O-CG 3.43Å; Q230-E234 PolarHBondContact O-N 3.08Å; Q230-V292 HydrophobicContact CB-CG2 4.29Å; Q230-V292 HydrophobicContact CG-CB 4.14Å; Q230-V292 HydrophobicContact CG-CG2 4.01Å
231	A	95.5	Very high	95.7	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-39	177.5	0	0	0	0	0	112.1	P220 D227 L229 N235 V292	P220-A231 HydrophobicContact CB-CB 4.01Å; P220-A231 HydrophobicContact CG-CB 4.45Å; D227-A231 WeakPolarHBondContact O-CB 3.49Å; D227-A231 PolarHBondContact O-N 2.92Å; L229-A231 PolarHBondContact O-N 2.78Å; A231-N235 WeakPolarHBondContact O-CB 3.36Å; A231-N235 VanDerWaalsContact O-CG 3.3Å; A231-N235 PolarHBondContact O-N 2.84Å; A231-N235 VanDerWaalsContact O-N 3.09Å; A231-N235 PolarHBondContact O-ND2 2.85Å; A231-V292 VanDerWaalsContact CA-CG2 3.4Å; A231-V292 HydrophobicContact CB-CG2 3.62Å
232	M	96.4	Very high	95.8	Very high	74 Å²	74	55 Å²	55	37%	0.365	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-41.6	174.5	-178	-171.2	72	0	0	111.8	M228 L229 Q230 R236	M228-M232 PolarHBondContact O-N 2.89Å; M228-M232 VanDerWaalsContact O-N 3.07Å; L229-M232 HydrophobicContact CD1-CE 3.59Å; L229-M232 WeakPolarHBondContact O-CB 3.44Å; L229-M232 PolarHBondContact O-N 3.33Å; Q230-M232 VanDerWaalsContact C-N 3.3Å; Q230-M232 PolarHBondContact O-N 3.49Å; M232-R236 WeakPolarHBondContact O-CB 3.17Å; M232-R236 VanDerWaalsContact O-CG 3.24Å; M232-R236 WeakPolarHBondContact O-CG 3.49Å; M232-R236 PolarHBondContact O-N 3.15Å; M232-R236 PolarHBondContact SD-NH2 3.09Å
233	E	94.9	Very high	95.9	Very high	85 Å²	85	52.6 Å²	52.6	40%	0.397	26%	0.263	S	S	.	.	H	α-helix	trans	-67.9	-48.2	179.9	-72.3	178.9	165.9	0	0	111.9	L229 Q230 N235 R236 R237	L229-E233 WeakPolarHBondContact O-CG 3.31Å; L229-E233 PolarHBondContact O-N 2.84Å; Q230-E233 PolarHBondContact O-N 3.25Å; Q230-E233 VanDerWaalsContact O-N 3.15Å; E233-N235 PolarHBondContact O-N 3.48Å; E233-R236 WeakPolarHBondContact O-CB 3.29Å; E233-R236 PolarHBondContact O-N 3.04Å; E233-R236 VanDerWaalsContact O-N 3.11Å; E233-R237 WeakPolarHBondContact O-CG 3.26Å; E233-R237 PolarHBondContact O-N 3.38Å; E233-R237 VanDerWaalsContact O-N 3.1Å
234	E	92.7	Very high	96	Very high	55 Å²	55	46.9 Å²	46.9	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-43.2	177.7	-67.8	-62.4	164.3	0	0	112	V218 Q230 R236 R237 V292	V218-E234 HydrophobicContact CG2-CB 3.8Å; Q230-E234 HydrophobicContact CG-CG 4.36Å; Q230-E234 PolarHBondContact NE2-OE1 3.25Å; Q230-E234 WeakPolarHBondContact O-CG 3.43Å; Q230-E234 PolarHBondContact O-N 3.08Å; E234-R236 VanDerWaalsContact C-N 3.29Å; E234-R236 PolarHBondContact O-N 3.19Å; E234-R237 WeakPolarHBondContact O-CB 3.48Å; E234-R237 PolarHBondContact O-N 2.99Å; E234-R237 VanDerWaalsContact O-N 3.14Å; E234-R237 IonicContact OE1-NH1 3.84Å; E234-R237 WeakPolarHBondContact OE2-CD 3.31Å; E234-R237 IonicContact OE2-CZ 2.78Å; E234-R237 IonicContact OE2-NH1 3.63Å; E234-R237 PolarHBondContact OE2-NH1 2.98Å; E234-V292 HydrophobicContact CB-CG1 4.5Å; E234-V292 HydrophobicContact CG-CG1 4.13Å
235	N	95.4	Very high	96.1	Very high	18 Å²	18	42.2 Å²	42.2	10%	0.096	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-36.2	174.8	-81	-43.8	0	0	0	112.4	V218 A231 E233 R237 W238 M239	V218-N235 PolarHBondContact N-OD1 2.87Å; V218-N235 PolarHBondContact O-ND2 2.94Å; A231-N235 WeakPolarHBondContact O-CB 3.36Å; A231-N235 VanDerWaalsContact O-CG 3.3Å; A231-N235 PolarHBondContact O-N 2.84Å; A231-N235 VanDerWaalsContact O-N 3.09Å; A231-N235 PolarHBondContact O-ND2 2.85Å; E233-N235 PolarHBondContact O-N 3.48Å; N235-R237 VanDerWaalsContact C-N 3.3Å; N235-R237 PolarHBondContact O-N 2.89Å; N235-W238 PolarHBondContact O-NE1 2.85Å; N235-W238 PolarHBondContact OD1-NE1 3.34Å; N235-M239 HydrophobicContact CB-CE 3.69Å; N235-M239 WeakPolarHBondContact O-CB 3.42Å; N235-M239 WeakPolarHBondContact O-CG 3.37Å; N235-M239 PolarHBondContact O-N 2.93Å; N235-M239 VanDerWaalsContact O-N 3.13Å
236	R	95.5	Very high	96.1	Very high	86 Å²	86	38.1 Å²	38.1	33%	0.325	18%	0.177	S	C	.	.	H	α-helix	trans	-66.7	-28.8	175.4	-81.3	174.9	179.7	-175.9	1.2	112.8	M232 E233 E234 W238 M239 F240 Y253	M232-R236 WeakPolarHBondContact O-CB 3.17Å; M232-R236 VanDerWaalsContact O-CG 3.24Å; M232-R236 WeakPolarHBondContact O-CG 3.49Å; M232-R236 PolarHBondContact O-N 3.15Å; M232-R236 PolarHBondContact SD-NH2 3.09Å; E233-R236 WeakPolarHBondContact O-CB 3.29Å; E233-R236 PolarHBondContact O-N 3.04Å; E233-R236 VanDerWaalsContact O-N 3.11Å; E234-R236 VanDerWaalsContact C-N 3.29Å; E234-R236 PolarHBondContact O-N 3.19Å; R236-W238 PolarHBondContact O-N 2.94Å; R236-M239 PolarHBondContact O-N 2.91Å; R236-F240 PolarHBondContact O-N 3.46Å; R236-Y253 HydrophobicContact CB-CD2 4.07Å; R236-Y253 HydrophobicContact CB-CE1 4.47Å; R236-Y253 HydrophobicContact CB-CE2 3.69Å; R236-Y253 HydrophobicContact CG-CE1 4.21Å; R236-Y253 HydrophobicContact CG-CE2 4.31Å; R236-Y253 WeakPolarHBondContact O-CE2 3.48Å; R236-Y253 PolarHBondContact O-OH 2.92Å
237	R	91.4	Very high	96.2	Very high	97 Å²	97	39.9 Å²	39.9	37%	0.366	18%	0.179	S	C	.	.	H	α-helix	trans	-65.2	-34.7	-179.9	-70.3	175.1	72.2	-165.9	6.1	113.4	E233 E234 N235 F240 F241	E233-R237 WeakPolarHBondContact O-CG 3.26Å; E233-R237 PolarHBondContact O-N 3.38Å; E233-R237 VanDerWaalsContact O-N 3.1Å; E234-R237 WeakPolarHBondContact O-CB 3.48Å; E234-R237 PolarHBondContact O-N 2.99Å; E234-R237 VanDerWaalsContact O-N 3.14Å; E234-R237 IonicContact OE1-NH1 3.84Å; E234-R237 WeakPolarHBondContact OE2-CD 3.31Å; E234-R237 IonicContact OE2-CZ 2.78Å; E234-R237 IonicContact OE2-NH1 3.63Å; E234-R237 PolarHBondContact OE2-NH1 2.98Å; N235-R237 VanDerWaalsContact C-N 3.3Å; N235-R237 PolarHBondContact O-N 2.89Å; R237-F240 WeakPolarHBondContact O-CD1 3.47Å; R237-F240 VanDerWaalsContact O-CE1 3.23Å; R237-F240 WeakPolarHBondContact O-CE1 3.3Å; R237-F241 WeakPolarHBondContact O-CE2 3.49Å
238	W	92.5	Very high	96.3	Very high	23 Å²	23	40.2 Å²	40.2	9%	0.087	18%	0.183	C	C	.	.	H	α-helix	trans	-92.3	-25.2	173.1	70.4	-100.2	0	0	0	112.2	L213 G216 N235 R236 F240 F241 L332 L336	L213-W238 HydrophobicContact CD1-CZ3 4.22Å; G216-W238 PolarHBondContact O-NE1 2.77Å; G216-W238 VanDerWaalsContact O-NE1 3.09Å; N235-W238 PolarHBondContact O-NE1 2.85Å; N235-W238 PolarHBondContact OD1-NE1 3.34Å; R236-W238 PolarHBondContact O-N 2.94Å; W238-F240 VanDerWaalsContact C-N 3.33Å; W238-F240 PolarHBondContact O-N 3.41Å; W238-F241 WeakPolarHBondContact O-CD2 3.28Å; W238-L332 HydrophobicContact CH2-CD1 3.55Å; W238-L332 HydrophobicContact CZ2-CD1 3.95Å; W238-L336 HydrophobicContact CH2-CD2 3.9Å; W238-L336 HydrophobicContact CZ3-CD2 4.12Å
239	M	95.6	Very high	96.3	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-71.5	-22.4	175.7	-72.5	177.6	-151.1	0	0	113.6	N235 R236 F241 G242 D243 T335 Y340	N235-M239 HydrophobicContact CB-CE 3.69Å; N235-M239 WeakPolarHBondContact O-CB 3.42Å; N235-M239 WeakPolarHBondContact O-CG 3.37Å; N235-M239 PolarHBondContact O-N 2.93Å; N235-M239 VanDerWaalsContact O-N 3.13Å; R236-M239 PolarHBondContact O-N 2.91Å; M239-F241 PolarHBondContact O-N 3.02Å; M239-G242 CarbonylContact O-C 3.57Å; M239-G242 WeakPolarHBondContact O-CA 3.31Å; M239-G242 PolarHBondContact O-N 3.36Å; M239-D243 PolarHBondContact O-N 2.91Å; M239-T335 HydrophobicContact CE-CG2 3.88Å; M239-Y340 PolarHBondContact O-OH 2.68Å
240	F	96.3	Very high	96.3	Very high	1 Å²	1	39 Å²	39	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-32.7	-176.4	90.1	-107	0	0	0	112.8	Y183 L190 R236 R237 W238 G242 D243 V244 P251 Y253 M254	Y183-F240 HydrophobicContact CD1-CZ 4.39Å; Y183-F240 HydrophobicContact CE1-CE1 4.06Å; Y183-F240 AromaticContact CE1-CZ 3.85Å; Y183-F240 HydrophobicContact CE1-CZ 3.85Å; L190-F240 HydrophobicContact CD1-CE2 4.45Å; R236-F240 PolarHBondContact O-N 3.46Å; R237-F240 WeakPolarHBondContact O-CD1 3.47Å; R237-F240 VanDerWaalsContact O-CE1 3.23Å; R237-F240 WeakPolarHBondContact O-CE1 3.3Å; W238-F240 VanDerWaalsContact C-N 3.33Å; W238-F240 PolarHBondContact O-N 3.41Å; F240-G242 VanDerWaalsContact C-N 3.27Å; F240-G242 PolarHBondContact O-N 2.8Å; F240-D243 WeakPolarHBondContact O-CB 3.39Å; F240-D243 PolarHBondContact O-N 2.93Å; F240-D243 VanDerWaalsContact O-N 3.12Å; F240-V244 HydrophobicContact CD2-CG2 4.4Å; F240-V244 WeakPolarHBondContact O-CG2 3.43Å; F240-V244 PolarHBondContact O-N 3.43Å; F240-P251 HydrophobicContact CB-CG 4.01Å; F240-Y253 WeakPolarHBondContact CA-OH 3.28Å; F240-Y253 HydrophobicContact CB-CE2 3.83Å; F240-Y253 VanDerWaalsContact CB-OH 3.27Å; F240-Y253 WeakPolarHBondContact CB-OH 3.33Å; F240-Y253 PolarHBondContact N-OH 2.85Å; F240-M254 HydrophobicContact CB-CG 3.55Å; F240-M254 HydrophobicContact CB-SD 4.04Å; F240-M254 HydrophobicContact CD1-CE 3.72Å; F240-M254 HydrophobicContact CD1-CG 4.01Å; F240-M254 HydrophobicContact CD1-SD 3.55Å; F240-M254 VanDerWaalsContact CD1-SD 3.55Å; F240-M254 HydrophobicContact CD2-CG 4.15Å; F240-M254 HydrophobicContact CE1-CE 3.75Å; F240-M254 HydrophobicContact CE1-SD 4.2Å; F240-M254 HydrophobicContact CG-CE 4.2Å; F240-M254 HydrophobicContact CG-CG 3.65Å; F240-M254 HydrophobicContact CG-SD 3.85Å; F240-M254 HydrophobicContact CZ-CE 4.23Å
241	F	97.2	Very high	96.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-59.1	-44.6	175.3	-60	-91.8	0	0	0	109.9	I160 N161 L164 I186 L213 R237 W238 M239 V244 Q245	I160-F241 HydrophobicContact CB-CD1 3.84Å; I160-F241 HydrophobicContact CB-CE1 4.2Å; I160-F241 HydrophobicContact CG2-CD1 3.62Å; I160-F241 HydrophobicContact CG2-CE1 3.68Å; N161-F241 HydrophobicContact CB-CD1 4.45Å; N161-F241 HydrophobicContact CB-CD2 3.7Å; N161-F241 HydrophobicContact CB-CE1 4.06Å; N161-F241 HydrophobicContact CB-CE2 3.25Å; N161-F241 HydrophobicContact CB-CG 4.29Å; N161-F241 HydrophobicContact CB-CZ 3.45Å; N161-F241 VanDerWaalsContact CB-CZ 3.45Å; L164-F241 HydrophobicContact CD1-CZ 4.02Å; I186-F241 HydrophobicContact CD1-CE1 4.09Å; I186-F241 HydrophobicContact CD1-CZ 4.3Å; I186-F241 HydrophobicContact CG1-CE1 4.41Å; I186-F241 HydrophobicContact CG2-CD1 4.16Å; I186-F241 HydrophobicContact CG2-CE1 3.59Å; L213-F241 HydrophobicContact CD2-CB 3.94Å; R237-F241 WeakPolarHBondContact O-CE2 3.49Å; W238-F241 WeakPolarHBondContact O-CD2 3.28Å; M239-F241 PolarHBondContact O-N 3.02Å; F241-V244 PolarHBondContact O-N 3.01Å; F241-Q245 WeakPolarHBondContact O-CB 3.29Å; F241-Q245 WeakPolarHBondContact O-CG 3.3Å; F241-Q245 PolarHBondContact O-N 2.87Å; F241-Q245 PolarHBondContact O-OE1 3.47Å
242	G	97.5	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-41.2	171.7	0	0	0	0	0	113.1	M239 F240 V244 Q245 A246 Y340	M239-G242 CarbonylContact O-C 3.57Å; M239-G242 WeakPolarHBondContact O-CA 3.31Å; M239-G242 PolarHBondContact O-N 3.36Å; F240-G242 VanDerWaalsContact C-N 3.27Å; F240-G242 PolarHBondContact O-N 2.8Å; G242-V244 PolarHBondContact O-N 3.49Å; G242-Q245 PolarHBondContact O-N 3.45Å; G242-A246 WeakPolarHBondContact O-CA 3.41Å; G242-A246 WeakPolarHBondContact O-CB 3.36Å; G242-A246 PolarHBondContact O-N 2.88Å; G242-Y340 WeakPolarHBondContact CA-OH 3.36Å
243	D	98.2	Very high	96.6	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.011	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-46.2	175.4	-75.6	-34.8	0	0	0	111.7	M239 F240 R247 P251 Y253 R339 Y340	M239-D243 PolarHBondContact O-N 2.91Å; F240-D243 WeakPolarHBondContact O-CB 3.39Å; F240-D243 PolarHBondContact O-N 2.93Å; F240-D243 VanDerWaalsContact O-N 3.12Å; D243-R247 WeakPolarHBondContact O-CA 3.25Å; D243-R247 WeakPolarHBondContact O-CB 3.37Å; D243-R247 PolarHBondContact O-N 2.63Å; D243-R247 IonicContact OD1-CZ 3.55Å; D243-R247 IonicContact OD1-NE 2.78Å; D243-R247 IonicContact OD1-NH1 3.22Å; D243-R247 PolarHBondContact OD1-NH1 2.83Å; D243-R247 VanDerWaalsContact OD1-NH1 3.09Å; D243-P251 HydrophobicContact CB-CB 4.37Å; D243-P251 HydrophobicContact CB-CG 4.04Å; D243-Y253 WeakPolarHBondContact OD2-CE1 3.46Å; D243-Y253 PolarHBondContact OD2-OH 3.28Å; D243-R339 VanDerWaalsContact CG-NH2 3.27Å; D243-R339 IonicContact OD1-CZ 3.9Å; D243-R339 VanDerWaalsContact OD1-CZ 3.32Å; D243-R339 IonicContact OD1-NE 3.6Å; D243-R339 PolarHBondContact OD1-NE 2.62Å; D243-R339 IonicContact OD1-NH2 3.36Å; D243-R339 PolarHBondContact OD1-NH2 2.68Å; D243-R339 IonicContact OD2-CZ 2.64Å; D243-R339 IonicContact OD2-NE 2.8Å; D243-R339 IonicContact OD2-NH2 3.32Å; D243-R339 PolarHBondContact OD2-NH2 3.03Å; D243-Y340 PolarHBondContact N-OH 3.06Å; D243-Y340 WeakPolarHBondContact OD1-CE1 3.36Å
244	V	98.6	Very high	96.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-49.9	178.5	176.9	0	0	0	0	110.5	L190 F240 F241 G242 A246 G248 Y250 L275	L190-V244 HydrophobicContact CB-CG1 4.15Å; L190-V244 HydrophobicContact CD1-CB 4.35Å; L190-V244 HydrophobicContact CD1-CG1 4.1Å; L190-V244 HydrophobicContact CD1-CG2 4.4Å; L190-V244 HydrophobicContact CD2-CB 4.16Å; L190-V244 HydrophobicContact CD2-CG1 4Å; L190-V244 HydrophobicContact CG-CG1 4.31Å; F240-V244 HydrophobicContact CD2-CG2 4.4Å; F240-V244 WeakPolarHBondContact O-CG2 3.43Å; F240-V244 PolarHBondContact O-N 3.43Å; F241-V244 PolarHBondContact O-N 3.01Å; G242-V244 PolarHBondContact O-N 3.49Å; V244-A246 PolarHBondContact O-N 3.36Å; V244-G248 WeakPolarHBondContact O-CA 3.44Å; V244-G248 PolarHBondContact O-N 3.29Å; V244-Y250 HydrophobicContact CG1-CE2 4.41Å; V244-Y250 HydrophobicContact CG2-CD1 4.14Å; V244-Y250 HydrophobicContact CG2-CD2 4.05Å; V244-Y250 HydrophobicContact CG2-CE1 4.34Å; V244-Y250 HydrophobicContact CG2-CE2 4.24Å; V244-Y250 HydrophobicContact CG2-CG 4.01Å; V244-L275 HydrophobicContact CG1-CD1 4.22Å; V244-L275 HydrophobicContact CG1-CD2 3.71Å; V244-L275 HydrophobicContact CG1-CG 4.47Å
245	Q	98.7	Very high	96.8	Very high	10 Å²	10	38 Å²	38	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-71.6	-29.6	-175.8	-67	179.4	-79.7	0	0	113.5	L190 S193 N211 F241 G242 T278 V279	L190-Q245 HydrophobicContact CD2-CG 3.73Å; S193-Q245 PolarHBondContact OG-NE2 2.91Å; N211-Q245 HydrophobicContact CB-CB 4.13Å; N211-Q245 VanDerWaalsContact CB-CD 3.45Å; N211-Q245 HydrophobicContact CB-CG 4.41Å; N211-Q245 VanDerWaalsContact CB-NE2 3.33Å; F241-Q245 WeakPolarHBondContact O-CB 3.29Å; F241-Q245 WeakPolarHBondContact O-CG 3.3Å; F241-Q245 PolarHBondContact O-N 2.87Å; F241-Q245 PolarHBondContact O-OE1 3.47Å; G242-Q245 PolarHBondContact O-N 3.45Å; Q245-T278 CarbonylContact O-C 3.5Å; Q245-T278 WeakPolarHBondContact O-CA 3.42Å; Q245-T278 VanDerWaalsContact O-CB 3.25Å; Q245-T278 WeakPolarHBondContact O-CB 3.39Å; Q245-V279 HydrophobicContact CB-CG1 4.22Å; Q245-V279 HydrophobicContact CB-CG2 4.44Å; Q245-V279 PolarHBondContact O-N 3.42Å
246	A	98.6	Very high	96.9	Very high	8 Å²	8	44.2 Å²	44.2	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-96.7	-31.1	-175.5	0	0	0	0	0	113.8	G242 V244 T278 I282 Y340 K342	G242-A246 WeakPolarHBondContact O-CA 3.41Å; G242-A246 WeakPolarHBondContact O-CB 3.36Å; G242-A246 PolarHBondContact O-N 2.88Å; V244-A246 PolarHBondContact O-N 3.36Å; A246-T278 WeakPolarHBondContact O-CB 3.02Å; A246-T278 WeakPolarHBondContact O-CG2 3.47Å; A246-I282 HydrophobicContact CB-CD1 3.61Å; A246-Y340 HydrophobicContact CB-CD1 3.66Å; A246-Y340 HydrophobicContact CB-CE1 4Å; A246-Y340 HydrophobicContact CB-CG 4.26Å; A246-K342 PolarHBondContact O-NZ 2.76Å
247	R	98.6	Very high	97	Very high	127 Å²	127	41.6 Å²	41.6	48%	0.479	19%	0.192	S	C	.	.	H	α-helix	trans	-112.9	-10.2	-176.7	-55.1	173.4	165.5	176.7	-11.9	113.4	D243 R339	D243-R247 WeakPolarHBondContact O-CA 3.25Å; D243-R247 WeakPolarHBondContact O-CB 3.37Å; D243-R247 PolarHBondContact O-N 2.63Å; D243-R247 IonicContact OD1-CZ 3.55Å; D243-R247 IonicContact OD1-NE 2.78Å; D243-R247 IonicContact OD1-NH1 3.22Å; D243-R247 PolarHBondContact OD1-NH1 2.83Å; D243-R247 VanDerWaalsContact OD1-NH1 3.09Å; R247-R339 PolarHBondContact NH2-O 2.74Å
248	G	98.4	Very high	97.2	Very high	8 Å²	8	38 Å²	38	8%	0.082	18%	0.179	C	C	.	.	S	Bend	trans	78.8	19.5	168.4	0	0	0	0	0	116	V244 L275	V244-G248 WeakPolarHBondContact O-CA 3.44Å; V244-G248 PolarHBondContact O-N 3.29Å; G248-L275 WeakPolarHBondContact CA-O 3.34Å
249	Q	97.7	Very high	97.4	Very high	135 Å²	135	44 Å²	44	63%	0.631	20%	0.202	S	C	*	.	S	Bend	trans	-156.3	153.9	177.8	61.7	-178	16.3	0	0	111.6
250	Y	97.8	Very high	97.5	Very high	28 Å²	28	47.5 Å²	47.5	11%	0.11	22%	0.221	C	C	.	.			trans	-66.4	130.2	172.1	-80.9	-103.3	0	0	0	110.5	H187 L190 V244 F258 M267 L275	H187-Y250 AromaticContact ND1-CE2 3.74Å; H187-Y250 AromaticContact ND1-CZ 3.73Å; H187-Y250 PolarHBondContact ND1-OH 3.04Å; L190-Y250 WeakPolarHBondContact CD1-OH 3.44Å; V244-Y250 HydrophobicContact CG1-CE2 4.41Å; V244-Y250 HydrophobicContact CG2-CD1 4.14Å; V244-Y250 HydrophobicContact CG2-CD2 4.05Å; V244-Y250 HydrophobicContact CG2-CE1 4.34Å; V244-Y250 HydrophobicContact CG2-CE2 4.24Å; V244-Y250 HydrophobicContact CG2-CG 4.01Å; Y250-F258 AromaticContact CD1-CE2 3.88Å; Y250-F258 HydrophobicContact CD1-CE2 3.88Å; Y250-F258 HydrophobicContact CD1-CZ 4.39Å; Y250-F258 AromaticContact CE1-CE2 3.9Å; Y250-F258 HydrophobicContact CE1-CE2 3.9Å; Y250-F258 HydrophobicContact CE1-CZ 4.09Å; Y250-M267 HydrophobicContact CD2-CE 3.38Å; Y250-M267 HydrophobicContact CE2-CE 3.27Å; Y250-M267 HydrophobicContact CG-CE 4.31Å; Y250-L275 HydrophobicContact CD2-CD1 4.14Å; Y250-L275 HydrophobicContact CE2-CD1 3.85Å
251	P	97.9	Very high	97.4	Very high	16 Å²	16	52 Å²	52	10%	0.104	24%	0.241	C	C	.	.			trans	-74.3	148.7	179	31.3	-35.1	0	0	0	111.1	F240 D243 Y253 M254 Q255	F240-P251 HydrophobicContact CB-CG 4.01Å; D243-P251 HydrophobicContact CB-CB 4.37Å; D243-P251 HydrophobicContact CB-CG 4.04Å; P251-Y253 HydrophobicContact CB-CD1 3.73Å; P251-Y253 HydrophobicContact CB-CE1 3.29Å; P251-Y253 HydrophobicContact CB-CE2 4.48Å; P251-Y253 HydrophobicContact CB-CG 4.48Å; P251-Y253 HydrophobicContact CG-CD1 4.11Å; P251-Y253 HydrophobicContact CG-CD2 4.4Å; P251-Y253 HydrophobicContact CG-CE1 3.47Å; P251-Y253 VanDerWaalsContact CG-CE1 3.47Å; P251-Y253 HydrophobicContact CG-CE2 3.8Å; P251-Y253 WeakPolarHBondContact CG-OH 3.29Å; P251-Y253 PolarHBondContact O-N 2.86Å; P251-Y253 VanDerWaalsContact O-N 3.09Å; P251-M254 HydrophobicContact CG-CB 4.32Å; P251-M254 HydrophobicContact CG-CG 3.94Å; P251-M254 PolarHBondContact O-N 2.94Å; P251-Q255 PolarHBondContact O-N 2.73Å
252	G	97.4	Very high	97.4	Very high	48 Å²	48	58.8 Å²	58.8	50%	0.495	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-26.6	-174.6	0	0	0	0	0	115.1	M254 Q255 R256	G252-M254 VanDerWaalsContact C-N 3.3Å; G252-M254 PolarHBondContact O-N 3.48Å; G252-Q255 WeakPolarHBondContact O-CB 3.15Å; G252-Q255 PolarHBondContact O-N 2.82Å; G252-R256 PolarHBondContact O-N 3.29Å
253	Y	97.5	Very high	97.4	Very high	50 Å²	50	59.4 Å²	59.4	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-68.3	-29.2	175.6	62.9	-100.6	0	0	0	112.5	R236 F240 D243 P251 R256 F257	R236-Y253 HydrophobicContact CB-CD2 4.07Å; R236-Y253 HydrophobicContact CB-CE1 4.47Å; R236-Y253 HydrophobicContact CB-CE2 3.69Å; R236-Y253 HydrophobicContact CG-CE1 4.21Å; R236-Y253 HydrophobicContact CG-CE2 4.31Å; R236-Y253 WeakPolarHBondContact O-CE2 3.48Å; R236-Y253 PolarHBondContact O-OH 2.92Å; F240-Y253 WeakPolarHBondContact CA-OH 3.28Å; F240-Y253 HydrophobicContact CB-CE2 3.83Å; F240-Y253 VanDerWaalsContact CB-OH 3.27Å; F240-Y253 WeakPolarHBondContact CB-OH 3.33Å; F240-Y253 PolarHBondContact N-OH 2.85Å; D243-Y253 WeakPolarHBondContact OD2-CE1 3.46Å; D243-Y253 PolarHBondContact OD2-OH 3.28Å; P251-Y253 HydrophobicContact CB-CD1 3.73Å; P251-Y253 HydrophobicContact CB-CE1 3.29Å; P251-Y253 HydrophobicContact CB-CE2 4.48Å; P251-Y253 HydrophobicContact CB-CG 4.48Å; P251-Y253 HydrophobicContact CG-CD1 4.11Å; P251-Y253 HydrophobicContact CG-CD2 4.4Å; P251-Y253 HydrophobicContact CG-CE1 3.47Å; P251-Y253 VanDerWaalsContact CG-CE1 3.47Å; P251-Y253 HydrophobicContact CG-CE2 3.8Å; P251-Y253 WeakPolarHBondContact CG-OH 3.29Å; P251-Y253 PolarHBondContact O-N 2.86Å; P251-Y253 VanDerWaalsContact O-N 3.09Å; Y253-R256 PolarHBondContact O-N 3.5Å; Y253-F257 PolarHBondContact O-N 2.93Å
254	M	97.3	Very high	97.3	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-73.8	-32.6	173.4	-72.8	-52.2	-64.3	0	0	112	Y183 F240 P251 G252 R256 F257 F258	Y183-M254 HydrophobicContact CE1-CE 4.17Å; F240-M254 HydrophobicContact CB-CG 3.55Å; F240-M254 HydrophobicContact CB-SD 4.04Å; F240-M254 HydrophobicContact CD1-CE 3.72Å; F240-M254 HydrophobicContact CD1-CG 4.01Å; F240-M254 HydrophobicContact CD1-SD 3.55Å; F240-M254 VanDerWaalsContact CD1-SD 3.55Å; F240-M254 HydrophobicContact CD2-CG 4.15Å; F240-M254 HydrophobicContact CE1-CE 3.75Å; F240-M254 HydrophobicContact CE1-SD 4.2Å; F240-M254 HydrophobicContact CG-CE 4.2Å; F240-M254 HydrophobicContact CG-CG 3.65Å; F240-M254 HydrophobicContact CG-SD 3.85Å; F240-M254 HydrophobicContact CZ-CE 4.23Å; P251-M254 HydrophobicContact CG-CB 4.32Å; P251-M254 HydrophobicContact CG-CG 3.94Å; P251-M254 PolarHBondContact O-N 2.94Å; G252-M254 VanDerWaalsContact C-N 3.3Å; G252-M254 PolarHBondContact O-N 3.48Å; M254-R256 VanDerWaalsContact C-N 3.28Å; M254-R256 PolarHBondContact O-N 3.4Å; M254-F257 HydrophobicContact CE-CB 4.36Å; M254-F257 HydrophobicContact CE-CD1 3.65Å; M254-F257 HydrophobicContact CE-CE1 4.32Å; M254-F257 HydrophobicContact CE-CG 4.2Å; M254-F257 PolarHBondContact O-N 3.02Å; M254-F257 HydrophobicContact SD-CB 4.28Å; M254-F257 HydrophobicContact SD-CD1 4.49Å; M254-F257 HydrophobicContact SD-CG 4.47Å; M254-F258 HydrophobicContact CB-CE2 4.21Å; M254-F258 HydrophobicContact CB-CZ 4.45Å; M254-F258 HydrophobicContact CE-CD1 4.23Å; M254-F258 HydrophobicContact CE-CE1 3.5Å; M254-F258 HydrophobicContact CE-CE2 4.43Å; M254-F258 HydrophobicContact CE-CZ 3.62Å; M254-F258 WeakPolarHBondContact O-CB 3.42Å; M254-F258 VanDerWaalsContact O-CD2 3.26Å; M254-F258 WeakPolarHBondContact O-CD2 3.09Å; M254-F258 VanDerWaalsContact O-CG 3.22Å; M254-F258 WeakPolarHBondContact O-CG 3.46Å; M254-F258 PolarHBondContact O-N 2.74Å
255	Q	95.5	Very high	97.2	Very high	125 Å²	125	66.2 Å²	66.2	58%	0.584	32%	0.322	S	S	*	.	H	α-helix	trans	-61.4	-39.7	172.4	-61.6	177.9	-9.6	0	0	111.5	P251 G252 R259	P251-Q255 PolarHBondContact O-N 2.73Å; G252-Q255 WeakPolarHBondContact O-CB 3.15Å; G252-Q255 PolarHBondContact O-N 2.82Å; Q255-R259 WeakPolarHBondContact O-CB 3.33Å; Q255-R259 PolarHBondContact O-N 2.83Å
256	R	97.1	Very high	97.2	Very high	150 Å²	150	73 Å²	73	57%	0.566	35%	0.353	S	S	*	.	H	α-helix	trans	-64.5	-49.9	171.3	168.1	163.9	-171.8	-168.3	-2.2	111.3	G252 Y253 M254 F258 R259 D260	G252-R256 PolarHBondContact O-N 3.29Å; Y253-R256 PolarHBondContact O-N 3.5Å; M254-R256 VanDerWaalsContact C-N 3.28Å; M254-R256 PolarHBondContact O-N 3.4Å; R256-F258 VanDerWaalsContact C-N 3.34Å; R256-F258 PolarHBondContact O-N 3.3Å; R256-R259 PolarHBondContact O-N 3.34Å; R256-D260 WeakPolarHBondContact CG-OD2 3.35Å; R256-D260 IonicContact CZ-OD2 3.06Å; R256-D260 IonicContact NE-OD2 3.42Å; R256-D260 PolarHBondContact NE-OD2 3.38Å; R256-D260 WeakPolarHBondContact O-CB 3.43Å; R256-D260 PolarHBondContact O-N 2.61Å
257	F	96.4	Very high	97.1	Very high	30 Å²	30	76.7 Å²	76.7	13%	0.132	37%	0.37	C	S	.	.	H	α-helix	trans	-54	-50.2	179.5	178.2	-92.8	0	0	0	111.6	Y183 Y253 M254 R259 D260 H261 I263	Y183-F257 AromaticContact CE2-CE1 3.89Å; Y183-F257 HydrophobicContact CE2-CE1 3.89Å; Y183-F257 AromaticContact CZ-CE1 3.82Å; Y183-F257 WeakPolarHBondContact OH-CE1 3.37Å; Y253-F257 PolarHBondContact O-N 2.93Å; M254-F257 HydrophobicContact CE-CB 4.36Å; M254-F257 HydrophobicContact CE-CD1 3.65Å; M254-F257 HydrophobicContact CE-CE1 4.32Å; M254-F257 HydrophobicContact CE-CG 4.2Å; M254-F257 PolarHBondContact O-N 3.02Å; M254-F257 HydrophobicContact SD-CB 4.28Å; M254-F257 HydrophobicContact SD-CD1 4.49Å; M254-F257 HydrophobicContact SD-CG 4.47Å; F257-R259 PolarHBondContact O-N 2.9Å; F257-D260 PolarHBondContact O-N 2.86Å; F257-H261 AromaticContact CD2-CE1 3.51Å; F257-H261 AromaticContact CD2-ND1 3.62Å; F257-H261 AromaticContact CE2-CE1 3.29Å; F257-H261 WeakPolarHBondContact CE2-CE1 3.1Å; F257-H261 AromaticContact CE2-ND1 3.58Å; F257-H261 AromaticContact CE2-NE2 3.64Å; F257-H261 AromaticContact CZ-CE1 3.97Å; F257-H261 AromaticContact CZ-ND1 3.93Å; F257-H261 WeakPolarHBondContact O-CB 3.34Å; F257-H261 PolarHBondContact O-N 2.87Å; F257-H261 PolarHBondContact O-ND1 2.92Å; F257-I263 HydrophobicContact CD1-CD1 4.44Å; F257-I263 HydrophobicContact CE1-CD1 3.83Å
258	F	97.3	Very high	97	Very high	21 Å²	21	73.5 Å²	73.5	9%	0.092	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-45.3	179.4	-66.4	-31.2	0	0	0	112.9	Y183 Y250 M254 R256 D260 H261 N262 I263 I265	Y183-F258 AromaticContact CD1-CE1 3.71Å; Y183-F258 HydrophobicContact CD1-CE1 3.71Å; Y183-F258 HydrophobicContact CD1-CZ 4.09Å; Y183-F258 HydrophobicContact CD2-CE1 4.23Å; Y183-F258 AromaticContact CE1-CE1 3.88Å; Y183-F258 HydrophobicContact CE1-CE1 3.88Å; Y183-F258 HydrophobicContact CE1-CZ 4.42Å; Y183-F258 HydrophobicContact CE2-CE1 4.39Å; Y183-F258 AromaticContact CG-CE1 3.91Å; Y183-F258 HydrophobicContact CG-CE1 3.91Å; Y250-F258 AromaticContact CD1-CE2 3.88Å; Y250-F258 HydrophobicContact CD1-CE2 3.88Å; Y250-F258 HydrophobicContact CD1-CZ 4.39Å; Y250-F258 AromaticContact CE1-CE2 3.9Å; Y250-F258 HydrophobicContact CE1-CE2 3.9Å; Y250-F258 HydrophobicContact CE1-CZ 4.09Å; M254-F258 HydrophobicContact CB-CE2 4.21Å; M254-F258 HydrophobicContact CB-CZ 4.45Å; M254-F258 HydrophobicContact CE-CD1 4.23Å; M254-F258 HydrophobicContact CE-CE1 3.5Å; M254-F258 HydrophobicContact CE-CE2 4.43Å; M254-F258 HydrophobicContact CE-CZ 3.62Å; M254-F258 WeakPolarHBondContact O-CB 3.42Å; M254-F258 VanDerWaalsContact O-CD2 3.26Å; M254-F258 WeakPolarHBondContact O-CD2 3.09Å; M254-F258 VanDerWaalsContact O-CG 3.22Å; M254-F258 WeakPolarHBondContact O-CG 3.46Å; M254-F258 PolarHBondContact O-N 2.74Å; R256-F258 VanDerWaalsContact C-N 3.34Å; R256-F258 PolarHBondContact O-N 3.3Å; F258-D260 PolarHBondContact O-N 2.91Å; F258-H261 CarbonylContact O-C 3.57Å; F258-H261 PolarHBondContact O-N 3.32Å; F258-N262 PolarHBondContact O-N 2.83Å; F258-I263 HydrophobicContact CB-CB 4.18Å; F258-I263 HydrophobicContact CD1-CB 3.89Å; F258-I263 HydrophobicContact CD1-CD1 4.01Å; F258-I263 HydrophobicContact CD1-CG2 3.72Å; F258-I263 HydrophobicContact CE1-CG2 4.2Å; F258-I263 HydrophobicContact CG-CB 4.36Å; F258-I263 HydrophobicContact CG-CG2 4.27Å; F258-I263 PolarHBondContact O-N 3.07Å; F258-I265 HydrophobicContact CD2-CG1 4.48Å; F258-I265 HydrophobicContact CE2-CG1 4.23Å; F258-I265 HydrophobicContact CZ-CG1 4.42Å
259	R	96.8	Very high	97	Very high	151 Å²	151	81.6 Å²	81.6	57%	0.57	40%	0.401	S	S	*	.	H	α-helix	trans	-61.9	-45.1	176	-177.2	-170.4	61.3	-108.5	-10.1	111.8	Q255 R256 F257 H261 N262	Q255-R259 WeakPolarHBondContact O-CB 3.33Å; Q255-R259 PolarHBondContact O-N 2.83Å; R256-R259 PolarHBondContact O-N 3.34Å; F257-R259 PolarHBondContact O-N 2.9Å; R259-H261 PolarHBondContact O-N 3.16Å; R259-N262 PolarHBondContact O-N 2.91Å
260	D	96.9	Very high	97	Very high	82 Å²	82	78.1 Å²	78.1	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-70.9	-20.8	-175.9	-62.6	-0	0	0	0	111.4	R256 F257 F258	R256-D260 WeakPolarHBondContact CG-OD2 3.35Å; R256-D260 IonicContact CZ-OD2 3.06Å; R256-D260 IonicContact NE-OD2 3.42Å; R256-D260 PolarHBondContact NE-OD2 3.38Å; R256-D260 WeakPolarHBondContact O-CB 3.43Å; R256-D260 PolarHBondContact O-N 2.61Å; F257-D260 PolarHBondContact O-N 2.86Å; F258-D260 PolarHBondContact O-N 2.91Å
261	H	95	Very high	97	Very high	95 Å²	95	76.8 Å²	76.8	44%	0.44	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	9.3	177.8	-65.6	73.8	0	0	0	114.2	F257 F258 R259 I263	F257-H261 AromaticContact CD2-CE1 3.51Å; F257-H261 AromaticContact CD2-ND1 3.62Å; F257-H261 AromaticContact CE2-CE1 3.29Å; F257-H261 WeakPolarHBondContact CE2-CE1 3.1Å; F257-H261 AromaticContact CE2-ND1 3.58Å; F257-H261 AromaticContact CE2-NE2 3.64Å; F257-H261 AromaticContact CZ-CE1 3.97Å; F257-H261 AromaticContact CZ-ND1 3.93Å; F257-H261 WeakPolarHBondContact O-CB 3.34Å; F257-H261 PolarHBondContact O-N 2.87Å; F257-H261 PolarHBondContact O-ND1 2.92Å; F258-H261 CarbonylContact O-C 3.57Å; F258-H261 PolarHBondContact O-N 3.32Å; R259-H261 PolarHBondContact O-N 3.16Å; H261-I263 HydrophobicContact CB-CD1 3.8Å; H261-I263 HydrophobicContact CB-CG1 4.18Å; H261-I263 PolarHBondContact O-N 3.1Å
262	N	96.3	Very high	97	Very high	145 Å²	145	77.9 Å²	77.9	78%	0.775	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	33.8	-177.3	-55.9	-57.5	0	0	0	114.5	F258 R259	F258-N262 PolarHBondContact O-N 2.83Å; R259-N262 PolarHBondContact O-N 2.91Å
263	I	97.1	Very high	97	Very high	12 Å²	12	80.7 Å²	80.7	6%	0.062	40%	0.397	C	S	.	.			trans	-91	123.2	174.8	-63.2	158.5	0	0	0	108.2	E179 A180 Y183 F257 F258 H261 I265	E179-I263 HydrophobicContact CG-CD1 4.02Å; A180-I263 HydrophobicContact CB-CG1 4.34Å; A180-I263 HydrophobicContact CB-CG2 4.31Å; Y183-I263 HydrophobicContact CD2-CD1 3.62Å; Y183-I263 HydrophobicContact CD2-CG1 4.42Å; Y183-I263 HydrophobicContact CD2-CG2 4.23Å; Y183-I263 HydrophobicContact CE2-CD1 3.64Å; Y183-I263 HydrophobicContact CG-CG2 4.44Å; F257-I263 HydrophobicContact CD1-CD1 4.44Å; F257-I263 HydrophobicContact CE1-CD1 3.83Å; F258-I263 HydrophobicContact CB-CB 4.18Å; F258-I263 HydrophobicContact CD1-CB 3.89Å; F258-I263 HydrophobicContact CD1-CD1 4.01Å; F258-I263 HydrophobicContact CD1-CG2 3.72Å; F258-I263 HydrophobicContact CE1-CG2 4.2Å; F258-I263 HydrophobicContact CG-CB 4.36Å; F258-I263 HydrophobicContact CG-CG2 4.27Å; F258-I263 PolarHBondContact O-N 3.07Å; H261-I263 HydrophobicContact CB-CD1 3.8Å; H261-I263 HydrophobicContact CB-CG1 4.18Å; H261-I263 PolarHBondContact O-N 3.1Å; I263-I265 HydrophobicContact CG2-CD1 3.92Å; I263-I265 HydrophobicContact CG2-CG1 4.26Å
264	T	96.5	Very high	97.1	Very high	115 Å²	115	78.9 Å²	78.9	71%	0.706	39%	0.39	S	S	*	.			trans	-111.2	129.1	172.2	-59	0	0	0	0	108.6
265	I	97.4	Very high	97.2	Very high	32 Å²	32	79 Å²	79	16%	0.164	39%	0.391	C	S	.	.			trans	-109.1	122.1	176	-57.2	-62.3	0	0	0	108.4	H187 F258 I263 M267	H187-I265 HydrophobicContact CB-CG2 3.66Å; H187-I265 VanDerWaalsContact CG-CG2 3.47Å; F258-I265 HydrophobicContact CD2-CG1 4.48Å; F258-I265 HydrophobicContact CE2-CG1 4.23Å; F258-I265 HydrophobicContact CZ-CG1 4.42Å; I263-I265 HydrophobicContact CG2-CD1 3.92Å; I263-I265 HydrophobicContact CG2-CG1 4.26Å; I265-M267 PolarHBondContact O-N 3.45Å; I265-M267 VanDerWaalsContact O-N 3.12Å
266	E	97.3	Very high	97.3	Very high	153 Å²	153	78.8 Å²	78.8	72%	0.715	39%	0.388	S	S	*	.			trans	-73.9	98.7	170	-63.6	-171.6	173.6	0	0	108.6	Q184 H187	Q184-E266 PolarHBondContact NE2-O 3.07Å; Q184-E266 VanDerWaalsContact NE2-O 3.12Å; H187-E266 PolarHBondContact CD2-O 3.39Å
267	M	96.8	Very high	97.4	Very high	84 Å²	84	74.8 Å²	74.8	41%	0.414	38%	0.376	S	S	.	.			trans	-115.2	123.7	176.7	-178.3	-175.3	-67.6	0	0	109.3	Y250 I265 D271 L275	Y250-M267 HydrophobicContact CD2-CE 3.38Å; Y250-M267 HydrophobicContact CE2-CE 3.27Å; Y250-M267 HydrophobicContact CG-CE 4.31Å; I265-M267 PolarHBondContact O-N 3.45Å; I265-M267 VanDerWaalsContact O-N 3.12Å; M267-D271 HydrophobicContact CG-CB 3.79Å; M267-L275 HydrophobicContact CE-CD1 4.41Å
268	T	97.3	Very high	97.5	Very high	61 Å²	61	75.2 Å²	75.2	37%	0.374	38%	0.381	S	S	.	.			trans	-86	163.6	175.2	67.6	0	0	0	0	111.2	R130 S270 D271 A272	R130-T268 PolarHBondContact NH2-OG1 2.8Å; T268-S270 PolarHBondContact O-N 2.71Å; T268-S270 PolarHBondContact OG1-N 2.65Å; T268-D271 WeakPolarHBondContact CB-OD2 3.06Å; T268-D271 PolarHBondContact N-OD2 3.06Å; T268-D271 WeakPolarHBondContact O-CB 3.49Å; T268-D271 PolarHBondContact O-N 3.33Å; T268-D271 VanDerWaalsContact O-N 3.08Å; T268-D271 PolarHBondContact OG1-N 3.46Å; T268-D271 VanDerWaalsContact OG1-N 3.15Å; T268-D271 PolarHBondContact OG1-OD2 3.06Å; T268-A272 PolarHBondContact O-N 2.84Å
269	E	97.2	Very high	97.6	Very high	178 Å²	178	74.3 Å²	74.3	83%	0.832	38%	0.377	S	S	*	.	H	α-helix	trans	-59.4	-34.9	171.3	-66.1	-178.1	173.8	0	0	111.8	D271 A272 E273	E269-D271 VanDerWaalsContact C-N 3.3Å; E269-D271 PolarHBondContact O-N 3.25Å; E269-A272 PolarHBondContact O-N 2.55Å; E269-E273 PolarHBondContact O-N 2.79Å; E269-E273 VanDerWaalsContact O-N 3.17Å
270	S	97.6	Very high	97.7	Very high	61 Å²	61	69 Å²	69	43%	0.427	36%	0.36	S	S	.	.	H	α-helix	trans	-63.5	-35.3	174.8	-172.2	0	0	0	0	112.2	T268 E273 D274	T268-S270 PolarHBondContact O-N 2.71Å; T268-S270 PolarHBondContact OG1-N 2.65Å; S270-E273 PolarHBondContact O-N 3.46Å; S270-D274 WeakPolarHBondContact O-CB 3.45Å; S270-D274 VanDerWaalsContact O-CG 3.32Å; S270-D274 PolarHBondContact O-N 3.24Å
271	D	98.5	Very high	97.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-43.2	176.9	-64.1	-39.1	0	0	0	110.7	R130 H187 V191 M267 T268 E269 E273 D274 L275	R130-D271 IonicContact CZ-OD1 2.93Å; R130-D271 VanDerWaalsContact CZ-OD1 3.29Å; R130-D271 IonicContact CZ-OD2 2.86Å; R130-D271 VanDerWaalsContact NH1-CG 3.32Å; R130-D271 IonicContact NH1-OD1 3.99Å; R130-D271 PolarHBondContact NH1-OD1 3.17Å; R130-D271 IonicContact NH1-OD2 2.74Å; R130-D271 PolarHBondContact NH1-OD2 3.06Å; R130-D271 VanDerWaalsContact NH2-CG 3.3Å; R130-D271 IonicContact NH2-OD1 3.65Å; R130-D271 PolarHBondContact NH2-OD1 2.98Å; R130-D271 IonicContact NH2-OD2 3.53Å; R130-D271 PolarHBondContact NH2-OD2 3.27Å; H187-D271 IonicContact NE2-OD2 3.63Å; V191-D271 WeakPolarHBondContact CG1-OD1 3.36Å; V191-D271 HydrophobicContact CG2-CB 3.74Å; V191-D271 WeakPolarHBondContact CG2-OD1 3.26Å; M267-D271 HydrophobicContact CG-CB 3.79Å; T268-D271 WeakPolarHBondContact CB-OD2 3.06Å; T268-D271 PolarHBondContact N-OD2 3.06Å; T268-D271 WeakPolarHBondContact O-CB 3.49Å; T268-D271 PolarHBondContact O-N 3.33Å; T268-D271 VanDerWaalsContact O-N 3.08Å; T268-D271 PolarHBondContact OG1-N 3.46Å; T268-D271 VanDerWaalsContact OG1-N 3.15Å; T268-D271 PolarHBondContact OG1-OD2 3.06Å; E269-D271 VanDerWaalsContact C-N 3.3Å; E269-D271 PolarHBondContact O-N 3.25Å; D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 3.4Å; D271-D274 PolarHBondContact O-N 2.84Å; D271-L275 WeakPolarHBondContact O-CB 3.4Å; D271-L275 VanDerWaalsContact O-CG 3.22Å; D271-L275 WeakPolarHBondContact O-CG 3.34Å; D271-L275 PolarHBondContact O-N 2.89Å
272	A	97.8	Very high	97.9	Very high	40 Å²	40	60.6 Å²	60.6	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-35.2	177.3	0	0	0	0	0	112.3	T268 E269	T268-A272 PolarHBondContact O-N 2.84Å; E269-A272 PolarHBondContact O-N 2.55Å
273	E	98.4	Very high	98.1	Very high	107 Å²	107	53.7 Å²	53.7	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-73	-42	173.1	-66.8	-53.7	132.4	0	0	112.5	E269 S270 D271 L275 K276	E269-E273 PolarHBondContact O-N 2.79Å; E269-E273 VanDerWaalsContact O-N 3.17Å; S270-E273 PolarHBondContact O-N 3.46Å; D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 3.4Å; E273-L275 PolarHBondContact O-N 3.44Å; E273-K276 WeakPolarHBondContact O-CB 3.44Å; E273-K276 PolarHBondContact O-N 2.99Å; E273-K276 IonicContact OE1-NZ 2.71Å; E273-K276 PolarHBondContact OE1-NZ 3.1Å; E273-K276 IonicContact OE2-NZ 3.37Å; E273-K276 PolarHBondContact OE2-NZ 3.45Å
274	D	98.6	Very high	98.1	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.064	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-45.6	178.1	-76.8	-31.1	0	0	0	110.8	V191 A194 R195 S270 D271 K276 H277	V191-D274 HydrophobicContact CG1-CB 4.14Å; A194-D274 WeakPolarHBondContact CB-O 3.35Å; R195-D274 HydrophobicContact CG-CB 4.21Å; R195-D274 IonicContact CZ-OD2 3.22Å; R195-D274 IonicContact NE-OD1 3.87Å; R195-D274 IonicContact NE-OD2 3.52Å; R195-D274 PolarHBondContact NE-OD2 2.72Å; R195-D274 IonicContact NH2-OD2 2.8Å; R195-D274 PolarHBondContact NH2-OD2 3.09Å; S270-D274 WeakPolarHBondContact O-CB 3.45Å; S270-D274 VanDerWaalsContact O-CG 3.32Å; S270-D274 PolarHBondContact O-N 3.24Å; D271-D274 PolarHBondContact O-N 2.84Å; D274-K276 PolarHBondContact O-N 2.91Å; D274-H277 WeakPolarHBondContact O-CB 3.29Å; D274-H277 PolarHBondContact O-CD2 3.49Å; D274-H277 PolarHBondContact O-N 3.16Å
275	L	98.6	Very high	98.2	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.1	-179.2	-69.8	176.6	0	0	0	113.8	L190 V191 A194 V244 G248 Y250 M267 D271 E273 H277	L190-L275 HydrophobicContact CB-CD2 4.07Å; V191-L275 HydrophobicContact CG2-CD2 4.27Å; V191-L275 HydrophobicContact CG2-CG 4.42Å; A194-L275 HydrophobicContact CB-CD2 4.35Å; V244-L275 HydrophobicContact CG1-CD1 4.22Å; V244-L275 HydrophobicContact CG1-CD2 3.71Å; V244-L275 HydrophobicContact CG1-CG 4.47Å; G248-L275 WeakPolarHBondContact CA-O 3.34Å; Y250-L275 HydrophobicContact CD2-CD1 4.14Å; Y250-L275 HydrophobicContact CE2-CD1 3.85Å; M267-L275 HydrophobicContact CE-CD1 4.41Å; D271-L275 WeakPolarHBondContact O-CB 3.4Å; D271-L275 VanDerWaalsContact O-CG 3.22Å; D271-L275 WeakPolarHBondContact O-CG 3.34Å; D271-L275 PolarHBondContact O-N 2.89Å; E273-L275 PolarHBondContact O-N 3.44Å; L275-H277 PolarHBondContact O-N 3.16Å
276	K	98.5	Very high	98.2	Very high	120 Å²	120	46.2 Å²	46.2	52%	0.522	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16	175.1	-64.6	174.4	-172	171.3	0	113	E273 D274 T278	E273-K276 WeakPolarHBondContact O-CB 3.44Å; E273-K276 PolarHBondContact O-N 2.99Å; E273-K276 IonicContact OE1-NZ 2.71Å; E273-K276 PolarHBondContact OE1-NZ 3.1Å; E273-K276 IonicContact OE2-NZ 3.37Å; E273-K276 PolarHBondContact OE2-NZ 3.45Å; D274-K276 PolarHBondContact O-N 2.91Å; K276-T278 PolarHBondContact O-N 3.12Å
277	H	98.7	Very high	98.1	Very high	65 Å²	65	40.1 Å²	40.1	30%	0.301	21%	0.208	S	C	.	.	S	Bend	trans	-78.9	83.6	172.8	-64.7	-69.8	0	0	0	110.9	A194 V197 K198 D274 L275	A194-H277 HydrophobicContact CB-CB 4.37Å; A194-H277 WeakPolarHBondContact O-CB 3.15Å; V197-H277 HydrophobicContact CG1-CB 4.37Å; K198-H277 HydrophobicContact CB-CB 4.15Å; K198-H277 VanDerWaalsContact CD-NE2 3.35Å; K198-H277 WeakPolarHBondContact CD-NE2 3.29Å; K198-H277 WeakPolarHBondContact CE-NE2 3.27Å; D274-H277 WeakPolarHBondContact O-CB 3.29Å; D274-H277 PolarHBondContact O-CD2 3.49Å; D274-H277 PolarHBondContact O-N 3.16Å; L275-H277 PolarHBondContact O-N 3.16Å
278	T	98.8	Very high	98	Very high	40 Å²	40	37 Å²	37	25%	0.245	19%	0.193	C	C	.	.			trans	-84.4	151.9	-174.1	68.2	0	0	0	0	113.8	V197 Q245 A246 K276 K342	V197-T278 WeakPolarHBondContact CG1-O 3.31Å; Q245-T278 CarbonylContact O-C 3.5Å; Q245-T278 WeakPolarHBondContact O-CA 3.42Å; Q245-T278 VanDerWaalsContact O-CB 3.25Å; Q245-T278 WeakPolarHBondContact O-CB 3.39Å; A246-T278 WeakPolarHBondContact O-CB 3.02Å; A246-T278 WeakPolarHBondContact O-CG2 3.47Å; K276-T278 PolarHBondContact O-N 3.12Å; T278-K342 PolarHBondContact OG1-NZ 3.4Å
279	V	98.9	Very high	97.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.175	C	C	.	.			trans	-63.3	153.2	178	-60.2	0	0	0	0	113.1	V197 I209 N211 Q245 F281 I282 K342	V197-V279 HydrophobicContact CG2-CG1 3.9Å; I209-V279 CarbonylContact O-C 3.59Å; I209-V279 WeakPolarHBondContact O-CA 3.25Å; I209-V279 WeakPolarHBondContact O-CB 3.29Å; N211-V279 HydrophobicContact CB-CG1 4.15Å; N211-V279 HydrophobicContact CB-CG2 4.33Å; Q245-V279 HydrophobicContact CB-CG1 4.22Å; Q245-V279 HydrophobicContact CB-CG2 4.44Å; Q245-V279 PolarHBondContact O-N 3.42Å; V279-F281 WeakPolarHBondContact CG2-O 3.32Å; V279-I282 HydrophobicContact CG2-CD1 3.86Å; V279-K342 WeakPolarHBondContact O-CD 3.47Å; V279-K342 WeakPolarHBondContact O-CE 3.2Å; V279-K342 PolarHBondContact O-NZ 3.08Å
280	D	98.9	Very high	97.6	Very high	39 Å²	39	25.7 Å²	25.7	21%	0.209	14%	0.136	C	C	.	.	S	Bend	trans	-78.2	-31.4	-179.3	-64.9	-65	0	0	0	113.6	H201 K208 I209	H201-D280 IonicContact CD2-OD2 2.79Å; H201-D280 IonicContact CE1-OD1 3.98Å; H201-D280 IonicContact CE1-OD2 2.76Å; H201-D280 IonicContact NE2-OD1 3.55Å; H201-D280 PolarHBondContact NE2-OD1 3.07Å; H201-D280 IonicContact NE2-OD2 3.27Å; H201-D280 PolarHBondContact NE2-OD2 3.5Å; K208-D280 WeakPolarHBondContact CA-OD2 3.43Å; K208-D280 HydrophobicContact CB-CB 4.3Å; K208-D280 HydrophobicContact CD-CB 3.81Å; I209-D280 WeakPolarHBondContact CG2-OD2 3Å; I209-D280 PolarHBondContact N-OD2 2.98Å; I209-D280 PolarHBondContact O-N 3.15Å
281	F	98.9	Very high	97.5	Very high	2 Å²	2	23 Å²	23	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.3	-176.9	67.6	-87.8	0	0	0	110.7	L108 L155 K208 G210 V279 P343 F345 M390	L108-F281 HydrophobicContact CD1-CZ 4.26Å; L155-F281 HydrophobicContact CD2-CE2 3.54Å; L155-F281 HydrophobicContact CD2-CZ 3.5Å; L155-F281 VanDerWaalsContact CD2-CZ 3.5Å; K208-F281 HydrophobicContact CB-CD1 4.07Å; K208-F281 HydrophobicContact CB-CE1 3.99Å; G210-F281 VanDerWaalsContact CA-O 3.29Å; G210-F281 WeakPolarHBondContact CA-O 3.49Å; V279-F281 WeakPolarHBondContact CG2-O 3.32Å; F281-P343 CarbonylContact C-O 3.49Å; F281-P343 WeakPolarHBondContact CA-O 3.22Å; F281-P343 HydrophobicContact CB-CB 4.13Å; F281-P343 VanDerWaalsContact CB-O 3.28Å; F281-P343 WeakPolarHBondContact CB-O 3.46Å; F281-F345 HydrophobicContact CD2-CB 3.94Å; F281-F345 HydrophobicContact CD2-CD1 4.48Å; F281-F345 HydrophobicContact CE2-CB 3.99Å; F281-F345 AromaticContact CE2-CD1 3.98Å; F281-F345 HydrophobicContact CE2-CD1 3.98Å; F281-F345 HydrophobicContact CE2-CG 4.48Å; F281-M390 HydrophobicContact CB-SD 3.5Å; F281-M390 WeakPolarHBondContact CB-SD 3.45Å; F281-M390 HydrophobicContact CD1-CE 4.16Å; F281-M390 HydrophobicContact CD1-SD 4.1Å; F281-M390 HydrophobicContact CD2-CE 4.49Å; F281-M390 HydrophobicContact CD2-SD 3.75Å; F281-M390 HydrophobicContact CE1-CE 4.44Å; F281-M390 HydrophobicContact CE2-SD 4.45Å; F281-M390 HydrophobicContact CG-CE 4.19Å; F281-M390 HydrophobicContact CG-SD 3.53Å; F281-M390 VanDerWaalsContact CG-SD 3.53Å
282	I	98.8	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.6	178.2	-53	-61	0	0	0	109	N211 L213 A246 V279 Y340 K342 P343 L344 F345	N211-I282 VanDerWaalsContact OD1-CA 3.27Å; N211-I282 WeakPolarHBondContact OD1-CA 3.39Å; L213-I282 HydrophobicContact CD1-CG2 3.9Å; A246-I282 HydrophobicContact CB-CD1 3.61Å; V279-I282 HydrophobicContact CG2-CD1 3.86Å; I282-Y340 HydrophobicContact CD1-CD2 4.36Å; I282-Y340 HydrophobicContact CD1-CG 4.45Å; I282-Y340 HydrophobicContact CG1-CD2 3.91Å; I282-Y340 HydrophobicContact CG1-CG 4.17Å; I282-Y340 HydrophobicContact CG2-CD2 4.45Å; I282-K342 HydrophobicContact CG1-CB 4.29Å; I282-P343 PolarHBondContact N-O 2.89Å; I282-L344 HydrophobicContact CB-CD2 3.78Å; I282-L344 HydrophobicContact CG1-CD2 4.39Å; I282-L344 HydrophobicContact CG2-CD2 4.38Å; I282-L344 CarbonylContact O-C 3.56Å; I282-L344 VanDerWaalsContact O-CA 3.27Å; I282-L344 WeakPolarHBondContact O-CA 3.49Å; I282-F345 PolarHBondContact O-N 3.36Å
283	S	98.8	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	152.8	171	90.7	0	0	0	0	111.6	L155 N211 M212 L213 F345 V347	L155-S283 WeakPolarHBondContact CD2-OG 3.36Å; N211-S283 VanDerWaalsContact O-CB 3.28Å; N211-S283 WeakPolarHBondContact O-CB 3.37Å; N211-S283 PolarHBondContact O-N 3.14Å; N211-S283 PolarHBondContact O-OG 3.37Å; N211-S283 PolarHBondContact OD1-N 2.89Å; N211-S283 VanDerWaalsContact OD1-N 3.14Å; M212-S283 CarbonylContact C-O 3.52Å; M212-S283 WeakPolarHBondContact CA-O 3.48Å; M212-S283 WeakPolarHBondContact CA-OG 3.21Å; M212-S283 WeakPolarHBondContact CG-OG 3.37Å; L213-S283 PolarHBondContact N-O 3.19Å; S283-F345 WeakPolarHBondContact CA-O 3.18Å; S283-F345 WeakPolarHBondContact CB-O 3.23Å; S283-V347 WeakPolarHBondContact OG-CG2 3.18Å
284	F	98.6	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	156.5	-178.3	63.7	-83.5	0	0	0	113.2	L213 L329 L332 L333 L336 L344 F345 I346 V347	L213-F284 HydrophobicContact CB-CB 4.2Å; L213-F284 CarbonylContact O-C 3.31Å; L213-F284 WeakPolarHBondContact O-CA 3.18Å; L213-F284 WeakPolarHBondContact O-CB 3.07Å; F284-L329 HydrophobicContact CE2-CD1 3.85Å; F284-L329 HydrophobicContact CZ-CD1 4.24Å; F284-L332 HydrophobicContact CD2-CD2 3.65Å; F284-L332 HydrophobicContact CD2-CG 4.45Å; F284-L332 HydrophobicContact CE2-CD2 3.63Å; F284-L332 HydrophobicContact CE2-CG 4.21Å; F284-L333 HydrophobicContact CE1-CD2 3.91Å; F284-L333 HydrophobicContact CZ-CD2 3.51Å; F284-L333 HydrophobicContact CZ-CG 4.01Å; F284-L336 HydrophobicContact CB-CD1 4.4Å; F284-L336 HydrophobicContact CD1-CD1 3.5Å; F284-L336 HydrophobicContact CD2-CD1 4.37Å; F284-L336 HydrophobicContact CE1-CD1 3.78Å; F284-L336 HydrophobicContact CG-CD1 3.84Å; F284-L336 HydrophobicContact CZ-CD1 4.32Å; F284-L344 HydrophobicContact CE1-CB 4.29Å; F284-F345 PolarHBondContact N-O 2.72Å; F284-F345 VanDerWaalsContact N-O 3.12Å; F284-I346 HydrophobicContact CE1-CG1 4.08Å; F284-I346 HydrophobicContact CE2-CG1 4.14Å; F284-I346 HydrophobicContact CZ-CB 4.49Å; F284-I346 HydrophobicContact CZ-CG1 3.54Å; F284-V347 PolarHBondContact O-N 3.12Å
285	S	98	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147	163.4	61.2	0	0	0	0	110.8	E159 L213 L214 G215 E348	E159-S285 WeakPolarHBondContact OE1-CB 3.3Å; E159-S285 PolarHBondContact OE1-OG 3.49Å; L213-S285 PolarHBondContact O-N 2.85Å; L214-S285 WeakPolarHBondContact CA-OG 3.44Å; L214-S285 VanDerWaalsContact CD1-OG 3.29Å; L214-S285 WeakPolarHBondContact CD1-OG 3.24Å; G215-S285 WeakPolarHBondContact CA-O 3.4Å; G215-S285 PolarHBondContact N-O 3.38Å; S285-E348 CarbonylContact C-O 3.57Å; S285-E348 VanDerWaalsContact CA-O 3.31Å; S285-E348 WeakPolarHBondContact CA-O 3.2Å
286	Y	97.7	Very high	95.6	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	15%	0.151	C	C	.	.			trans	-143.5	130	169.4	178.6	-93.7	0	0	0	110.1	T289 D325 G328 L329 L332 E348 N349 H375	Y286-T289 HydrophobicContact CE2-CG2 4.02Å; Y286-T289 WeakPolarHBondContact OH-CG2 3.44Å; Y286-D325 WeakPolarHBondContact CE1-O 3.35Å; Y286-D325 PolarHBondContact OH-O 3.45Å; Y286-G328 VanDerWaalsContact OH-CA 3.26Å; Y286-G328 WeakPolarHBondContact OH-CA 3.26Å; Y286-L329 HydrophobicContact CD1-CB 3.74Å; Y286-L329 HydrophobicContact CD1-CD1 3.83Å; Y286-L329 HydrophobicContact CD1-CD2 4.33Å; Y286-L329 HydrophobicContact CD1-CG 4.16Å; Y286-L329 HydrophobicContact CD2-CD1 4.4Å; Y286-L329 HydrophobicContact CE1-CB 3.61Å; Y286-L329 HydrophobicContact CG-CB 4.32Å; Y286-L329 HydrophobicContact CG-CD1 3.74Å; Y286-L329 VanDerWaalsContact CZ-N 3.31Å; Y286-L329 PolarHBondContact OH-N 2.86Å; Y286-L332 HydrophobicContact CD2-CD2 3.57Å; Y286-L332 HydrophobicContact CE2-CD2 4.36Å; Y286-L332 HydrophobicContact CG-CD2 4.3Å; Y286-E348 PolarHBondContact N-O 3.33Å; Y286-N349 WeakPolarHBondContact O-CA 3.21Å; Y286-N349 PolarHBondContact O-ND2 2.98Å; Y286-H375 AromaticContact CD1-CD2 3.9Å; Y286-H375 AromaticContact CE1-CD2 3.64Å; Y286-H375 AromaticContact CE1-NE2 3.53Å
287	Y	95.1	Very high	95	Very high	26 Å²	26	28.5 Å²	28.5	10%	0.102	15%	0.148	C	C	.	.			trans	-129.6	-37.3	176.4	-67.1	-81.4	0	0	0	112.7	W322 E348 G350 Y371 W395 Y412	Y287-W322 VanDerWaalsContact CB-CZ3 3.48Å; Y287-W322 AromaticContact CD1-CZ3 3.88Å; Y287-W322 HydrophobicContact CD1-CZ3 3.88Å; Y287-W322 HydrophobicContact CD2-CZ3 4.15Å; Y287-W322 HydrophobicContact CG-CE3 4.34Å; Y287-W322 AromaticContact CG-CZ3 3.58Å; Y287-W322 HydrophobicContact CG-CZ3 3.58Å; Y287-E348 HydrophobicContact CE2-CB 4.34Å; Y287-E348 PolarHBondContact OH-OE2 2.78Å; Y287-G350 VanDerWaalsContact CD1-O 3.31Å; Y287-G350 WeakPolarHBondContact CD1-O 3.43Å; Y287-Y371 PolarHBondContact O-OH 3.17Å; Y287-W395 HydrophobicContact CE1-CB 4.35Å; Y287-W395 VanDerWaalsContact OH-CB 3.22Å; Y287-W395 WeakPolarHBondContact OH-CB 3.42Å; Y287-W395 VanDerWaalsContact OH-CD1 3.24Å; Y287-Y412 AromaticContact CE1-CE1 3.93Å; Y287-Y412 HydrophobicContact CE1-CE1 3.93Å
288	M	93.8	Very high	94.4	Very high	18 Å²	18	28 Å²	28	9%	0.089	15%	0.147	C	C	.	.			trans	-164.2	170.9	-176.3	64.1	-178.6	-76.5	0	0	112.1	L307 M309 W322 Q323	M288-L307 HydrophobicContact CE-CD1 3.38Å; M288-L307 HydrophobicContact SD-CD1 3.16Å; M288-L307 WeakPolarHBondContact SD-CD1 3.36Å; M288-L307 HydrophobicContact SD-CD2 4.47Å; M288-L307 HydrophobicContact SD-CG 4.4Å; M288-M309 HydrophobicContact CE-CE 3.95Å; M288-M309 HydrophobicContact CG-CE 4.44Å; M288-M309 HydrophobicContact SD-CE 4.28Å; M288-W322 HydrophobicContact SD-CB 3.81Å; M288-W322 HydrophobicContact SD-CD2 4.2Å; M288-W322 HydrophobicContact SD-CE3 4.4Å; M288-W322 HydrophobicContact SD-CG 4Å; M288-Q323 WeakPolarHBondContact CB-O 3.14Å; M288-Q323 HydrophobicContact CE-CB 3.9Å; M288-Q323 HydrophobicContact CE-CG 4.12Å
289	T	94.9	Very high	93.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.			trans	-110.6	165.7	166.1	58.6	0	0	0	0	111.1	L217 Y219 Y286 D325	L217-T289 HydrophobicContact CB-CG2 4.09Å; L217-T289 HydrophobicContact CD2-CG2 4.18Å; L217-T289 HydrophobicContact CG-CG2 4.34Å; L217-T289 VanDerWaalsContact O-CA 3.25Å; L217-T289 WeakPolarHBondContact O-CA 3.44Å; L217-T289 WeakPolarHBondContact O-CB 3.24Å; Y219-T289 HydrophobicContact CE1-CG2 4.32Å; Y219-T289 HydrophobicContact CE2-CG2 3.98Å; Y219-T289 VanDerWaalsContact CE2-OG1 3.26Å; Y219-T289 WeakPolarHBondContact CE2-OG1 3.42Å; Y219-T289 WeakPolarHBondContact OH-CG2 3.5Å; Y286-T289 HydrophobicContact CE2-CG2 4.02Å; Y286-T289 WeakPolarHBondContact OH-CG2 3.44Å; T289-D325 HydrophobicContact CG2-CB 4.36Å; T289-D325 WeakPolarHBondContact CG2-OD2 3.48Å; T289-D325 PolarHBondContact OG1-OD2 3.07Å
290	G	92.2	Very high	92	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	179.5	169.2	0	0	0	0	0	111.5	L217 V218 Y219	L217-G290 PolarHBondContact O-N 2.78Å; V218-G290 CarbonylContact C-O 3.29Å; V218-G290 VanDerWaalsContact CA-O 3.29Å; V218-G290 WeakPolarHBondContact CA-O 3.17Å; Y219-G290 PolarHBondContact N-O 2.73Å
291	C	94.3	Very high	90.7	Very high	4 Å²	4	39 Å²	39	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	160.1	168.4	-66.8	0	0	0	0	111.1	Y219 L221 I310	Y219-C291 CarbonylContact O-C 3.44Å; Y219-C291 WeakPolarHBondContact O-CA 3.31Å; L221-C291 HydrophobicContact CB-CB 4.33Å; L221-C291 HydrophobicContact CD1-CB 4.16Å; C291-I310 HydrophobicContact CB-CB 4.04Å; C291-I310 HydrophobicContact CB-CG2 4.17Å; C291-I310 WeakPolarHBondContact CB-O 3.42Å; C291-I310 PolarHBondContact N-O 3.29Å; C291-I310 WeakPolarHBondContact O-CB 3.44Å; C291-I310 PolarHBondContact O-N 2.86Å; C291-I310 VanDerWaalsContact O-N 3.15Å
292	V	93	Very high	89.2	Confident	16 Å²	16	39.4 Å²	39.4	10%	0.097	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.7	169.6	-62.1	0	0	0	0	110.5	V218 Y219 L221 Q230 A231 E234	V218-V292 HydrophobicContact CB-CG1 3.97Å; V218-V292 HydrophobicContact CG1-CG1 4.15Å; V218-V292 HydrophobicContact CG2-CG1 3.94Å; V218-V292 HydrophobicContact CG2-CG2 4.2Å; Y219-V292 PolarHBondContact O-N 2.79Å; L221-V292 WeakPolarHBondContact CB-O 3.31Å; L221-V292 PolarHBondContact N-O 2.65Å; Q230-V292 HydrophobicContact CB-CG2 4.29Å; Q230-V292 HydrophobicContact CG-CB 4.14Å; Q230-V292 HydrophobicContact CG-CG2 4.01Å; A231-V292 VanDerWaalsContact CA-CG2 3.4Å; A231-V292 HydrophobicContact CB-CG2 3.62Å; E234-V292 HydrophobicContact CB-CG1 4.5Å; E234-V292 HydrophobicContact CG-CG1 4.13Å
293	S	93.8	Very high	87.3	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.028	23%	0.231	C	C	.	.			trans	-133.4	155.5	173.1	-176.2	0	0	0	0	109.7	D227 D295 N299	D227-S293 VanDerWaalsContact OD1-CA 3.27Å; D227-S293 WeakPolarHBondContact OD1-CA 3.34Å; D227-S293 PolarHBondContact OD1-OG 3.12Å; S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 PolarHBondContact OG-N 3.07Å; S293-N299 PolarHBondContact O-ND2 2.84Å
294	H	92.1	Very high	85	Confident	109 Å²	109	49.2 Å²	49.2	51%	0.505	27%	0.267	S	S	.	.	S	Bend	trans	-78.3	-15.3	169.5	-174.7	67	0	0	0	112.3	Q226 D227 E296	Q226-H294 HydrophobicContact CB-CB 3.58Å; D227-H294 PolarHBondContact OD1-N 3.33Å; H294-E296 PolarHBondContact O-N 3.41Å; H294-E296 VanDerWaalsContact O-N 3.16Å
295	D	91.9	Very high	82.9	Confident	76 Å²	76	51.8 Å²	51.8	41%	0.406	28%	0.281	S	S	.	.			trans	-73.5	105.5	174.6	-171.8	-25.1	0	0	0	110.6	S293 S297 I298 N299	S293-D295 VanDerWaalsContact C-N 3.28Å; S293-D295 PolarHBondContact OG-N 3.07Å; D295-S297 VanDerWaalsContact CG-OG 3.29Å; D295-S297 PolarHBondContact O-N 3.34Å; D295-S297 VanDerWaalsContact O-N 3.14Å; D295-S297 VanDerWaalsContact OD1-CB 3.26Å; D295-S297 WeakPolarHBondContact OD1-CB 3.47Å; D295-S297 PolarHBondContact OD1-N 2.88Å; D295-S297 PolarHBondContact OD1-OG 3.01Å; D295-S297 PolarHBondContact OD2-OG 3.04Å; D295-I298 HydrophobicContact CB-CB 4.37Å; D295-I298 HydrophobicContact CB-CD1 3.82Å; D295-I298 HydrophobicContact CB-CG1 3.88Å; D295-I298 PolarHBondContact O-N 3.43Å; D295-N299 PolarHBondContact O-N 2.86Å; D295-N299 PolarHBondContact O-ND2 3.26Å
296	E	83.2	Confident	80.6	Confident	132 Å²	132	57.8 Å²	57.8	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-54.6	-31.2	178.1	-71.1	-171.7	-168.5	0	0	113.5	H294 I298 N299 K300	H294-E296 PolarHBondContact O-N 3.41Å; H294-E296 VanDerWaalsContact O-N 3.16Å; E296-I298 VanDerWaalsContact C-N 3.31Å; E296-I298 PolarHBondContact O-N 2.79Å; E296-N299 PolarHBondContact O-N 2.88Å; E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 VanDerWaalsContact O-CG 3.31Å; E296-K300 WeakPolarHBondContact O-CG 3.24Å; E296-K300 PolarHBondContact O-N 3.43Å; E296-K300 IonicContact OE2-NZ 3.4Å; E296-K300 PolarHBondContact OE2-NZ 3.22Å
297	S	85.8	Confident	78.7	Confident	64 Å²	64	60.1 Å²	60.1	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-67.5	-36	-179.9	75.1	0	0	0	0	111.4	D295 N301	D295-S297 VanDerWaalsContact CG-OG 3.29Å; D295-S297 PolarHBondContact O-N 3.34Å; D295-S297 VanDerWaalsContact O-N 3.14Å; D295-S297 VanDerWaalsContact OD1-CB 3.26Å; D295-S297 WeakPolarHBondContact OD1-CB 3.47Å; D295-S297 PolarHBondContact OD1-N 2.88Å; D295-S297 PolarHBondContact OD1-OG 3.01Å; D295-S297 PolarHBondContact OD2-OG 3.04Å; S297-N301 VanDerWaalsContact O-CG 3.3Å; S297-N301 PolarHBondContact O-N 3.3Å; S297-N301 PolarHBondContact O-ND2 3.24Å; S297-N301 VanDerWaalsContact O-ND2 3.14Å
298	I	84.4	Confident	77.5	Confident	54 Å²	54	64.1 Å²	64.1	28%	0.277	35%	0.348	S	S	.	.	H	α-helix	trans	-70.1	-45.1	176	-56.2	-179.3	0	0	0	109.7	L221 D295 E296 K300 N301 A302 I310	L221-I298 HydrophobicContact CD2-CD1 4.03Å; L221-I298 HydrophobicContact CD2-CG2 3.98Å; D295-I298 HydrophobicContact CB-CB 4.37Å; D295-I298 HydrophobicContact CB-CD1 3.82Å; D295-I298 HydrophobicContact CB-CG1 3.88Å; D295-I298 PolarHBondContact O-N 3.43Å; E296-I298 VanDerWaalsContact C-N 3.31Å; E296-I298 PolarHBondContact O-N 2.79Å; I298-K300 PolarHBondContact O-N 3.22Å; I298-N301 PolarHBondContact O-N 3.47Å; I298-A302 PolarHBondContact O-N 3.3Å; I298-A302 VanDerWaalsContact O-N 3.15Å; I298-I310 HydrophobicContact CB-CD1 4.37Å; I298-I310 HydrophobicContact CG2-CD1 3.57Å; I298-I310 HydrophobicContact CG2-CG1 4.09Å; I298-I310 HydrophobicContact CG2-CG2 4.34Å
299	N	73.9	Confident	76.7	Confident	46 Å²	46	65.6 Å²	65.6	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-43.6	178.6	-70.3	-53.8	0	0	0	112.3	S293 D295 E296 N301 A302 Q303 I310	S293-N299 PolarHBondContact O-ND2 2.84Å; D295-N299 PolarHBondContact O-N 2.86Å; D295-N299 PolarHBondContact O-ND2 3.26Å; E296-N299 PolarHBondContact O-N 2.88Å; N299-N301 VanDerWaalsContact C-N 3.27Å; N299-N301 PolarHBondContact O-N 2.98Å; N299-A302 WeakPolarHBondContact O-CA 3.42Å; N299-A302 WeakPolarHBondContact O-CB 3.44Å; N299-A302 PolarHBondContact O-N 3.24Å; N299-Q303 PolarHBondContact O-N 2.94Å; N299-I310 VanDerWaalsContact OD1-CD1 3.31Å; N299-I310 WeakPolarHBondContact OD1-CD1 3.5Å
300	K	73.5	Confident	76.4	Confident	128 Å²	128	66.1 Å²	66.1	56%	0.557	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-36.5	177.7	-75.8	174.4	-171.9	167.3	0	112.3	E296 I298 A302 Q303	E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 VanDerWaalsContact O-CG 3.31Å; E296-K300 WeakPolarHBondContact O-CG 3.24Å; E296-K300 PolarHBondContact O-N 3.43Å; E296-K300 IonicContact OE2-NZ 3.4Å; E296-K300 PolarHBondContact OE2-NZ 3.22Å; I298-K300 PolarHBondContact O-N 3.22Å; K300-A302 VanDerWaalsContact C-N 3.29Å; K300-A302 PolarHBondContact O-N 3.12Å; K300-Q303 PolarHBondContact O-N 2.94Å
301	N	71.6	Confident	76.2	Confident	139 Å²	139	69.6 Å²	69.6	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-70.1	-27.5	175.1	-68.8	-26.6	0	0	0	112.5	S297 I298 N299	S297-N301 VanDerWaalsContact O-CG 3.3Å; S297-N301 PolarHBondContact O-N 3.3Å; S297-N301 PolarHBondContact O-ND2 3.24Å; S297-N301 VanDerWaalsContact O-ND2 3.14Å; I298-N301 PolarHBondContact O-N 3.47Å; N299-N301 VanDerWaalsContact C-N 3.27Å; N299-N301 PolarHBondContact O-N 2.98Å
302	A	68.4	Low	76.1	Confident	9 Å²	9	70.2 Å²	70.2	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-80	-24.8	177.2	0	0	0	0	0	113.8	I298 N299 K300 G304 N305 I310	I298-A302 PolarHBondContact O-N 3.3Å; I298-A302 VanDerWaalsContact O-N 3.15Å; N299-A302 WeakPolarHBondContact O-CA 3.42Å; N299-A302 WeakPolarHBondContact O-CB 3.44Å; N299-A302 PolarHBondContact O-N 3.24Å; K300-A302 VanDerWaalsContact C-N 3.29Å; K300-A302 PolarHBondContact O-N 3.12Å; A302-G304 PolarHBondContact O-N 3.49Å; A302-N305 PolarHBondContact O-N 3.43Å; A302-N305 PolarHBondContact O-ND2 3.35Å; A302-N305 PolarHBondContact O-OD1 3.03Å; A302-I310 HydrophobicContact CB-CB 4.31Å; A302-I310 HydrophobicContact CB-CG1 3.6Å
303	Q	59.1	Low	76.1	Confident	131 Å²	131	74.1 Å²	74.1	61%	0.612	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-5.9	174.6	-72.9	-179.9	-17.5	0	0	114.3	N299 K300 N308	N299-Q303 PolarHBondContact O-N 2.94Å; K300-Q303 PolarHBondContact O-N 2.94Å; Q303-N308 WeakPolarHBondContact CA-OD1 3.27Å; Q303-N308 PolarHBondContact O-OD1 2.95Å
304	G	48.7	Very low	76.1	Confident	75 Å²	75	81.9 Å²	81.9	77%	0.773	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-4.5	173.2	0	0	0	0	0	114.9	A302	A302-G304 PolarHBondContact O-N 3.49Å
305	N	54.8	Low	76.2	Confident	54 Å²	54	78.5 Å²	78.5	29%	0.289	43%	0.429	S	S	.	.	S	Bend	trans	-94.3	162.4	178.7	73.3	38.8	0	0	0	112	A302 L307 N308 M309	A302-N305 PolarHBondContact O-N 3.43Å; A302-N305 PolarHBondContact O-ND2 3.35Å; A302-N305 PolarHBondContact O-OD1 3.03Å; N305-L307 PolarHBondContact O-N 2.78Å; N305-L307 PolarHBondContact OD1-N 3.2Å; N305-L307 VanDerWaalsContact OD1-N 3.16Å; N305-N308 PolarHBondContact O-N 3.14Å; N305-N308 PolarHBondContact OD1-N 3.35Å; N305-M309 PolarHBondContact ND2-O 2.77Å; N305-M309 PolarHBondContact OD1-N 2.79Å
306	I	50.9	Low	76.3	Confident	127 Å²	127	83.1 Å²	83.1	65%	0.651	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-20.5	-173.1	-66.9	169.4	0	0	0	113.4	W320	I306-W320 WeakPolarHBondContact CD1-O 3.48Å
307	L	58.3	Low	76.6	Confident	49 Å²	49	80 Å²	80	26%	0.257	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-0.6	-168.6	-65.5	164.8	0	0	0	114.2	M288 N305 M309 W322	M288-L307 HydrophobicContact CE-CD1 3.38Å; M288-L307 HydrophobicContact SD-CD1 3.16Å; M288-L307 WeakPolarHBondContact SD-CD1 3.36Å; M288-L307 HydrophobicContact SD-CD2 4.47Å; M288-L307 HydrophobicContact SD-CG 4.4Å; N305-L307 PolarHBondContact O-N 2.78Å; N305-L307 PolarHBondContact OD1-N 3.2Å; N305-L307 VanDerWaalsContact OD1-N 3.16Å; L307-M309 HydrophobicContact CB-CE 3.75Å; L307-M309 HydrophobicContact CD1-CE 4.17Å; L307-M309 HydrophobicContact CD2-CE 4.48Å; L307-M309 HydrophobicContact CG-CE 4.37Å; L307-M309 PolarHBondContact O-N 3.42Å; L307-M309 VanDerWaalsContact O-N 3.09Å; L307-W322 HydrophobicContact CD1-CG 4.23Å; L307-W322 HydrophobicContact CD2-CZ2 4.27Å
308	N	69	Low	76.7	Confident	111 Å²	111	78 Å²	78	59%	0.594	42%	0.424	S	S	*	.	S	Bend	trans	50.8	29	-175.4	-63.5	-36.2	0	0	0	114.7	Q303 N305	Q303-N308 WeakPolarHBondContact CA-OD1 3.27Å; Q303-N308 PolarHBondContact O-OD1 2.95Å; N305-N308 PolarHBondContact O-N 3.14Å; N305-N308 PolarHBondContact OD1-N 3.35Å
309	M	77.6	Confident	76.7	Confident	48 Å²	48	81.2 Å²	81.2	24%	0.236	44%	0.438	C	S	.	.	S	Bend	trans	-118.5	145.7	179	-71	-173.7	-77.9	0	0	110.4	V218 M288 N305 L307 P311	V218-M309 HydrophobicContact CG1-SD 4.31Å; M288-M309 HydrophobicContact CE-CE 3.95Å; M288-M309 HydrophobicContact CG-CE 4.44Å; M288-M309 HydrophobicContact SD-CE 4.28Å; N305-M309 PolarHBondContact ND2-O 2.77Å; N305-M309 PolarHBondContact OD1-N 2.79Å; L307-M309 HydrophobicContact CB-CE 3.75Å; L307-M309 HydrophobicContact CD1-CE 4.17Å; L307-M309 HydrophobicContact CD2-CE 4.48Å; L307-M309 HydrophobicContact CG-CE 4.37Å; L307-M309 PolarHBondContact O-N 3.42Å; L307-M309 VanDerWaalsContact O-N 3.09Å; M309-P311 WeakPolarHBondContact O-CD 3.36Å
310	I	87.6	Confident	76.9	Confident	11 Å²	11	81.5 Å²	81.5	6%	0.056	44%	0.436	C	S	.	.	B	Isolated β-bridge	trans	-68	125.3	174.1	-62.3	165.6	0	0	0	108.1	L221 C291 I298 N299 A302 N312	L221-I310 HydrophobicContact CD1-CG2 4.06Å; L221-I310 HydrophobicContact CD2-CG2 4.24Å; C291-I310 HydrophobicContact CB-CB 4.04Å; C291-I310 HydrophobicContact CB-CG2 4.17Å; C291-I310 WeakPolarHBondContact CB-O 3.42Å; C291-I310 PolarHBondContact N-O 3.29Å; C291-I310 WeakPolarHBondContact O-CB 3.44Å; C291-I310 PolarHBondContact O-N 2.86Å; C291-I310 VanDerWaalsContact O-N 3.15Å; I298-I310 HydrophobicContact CB-CD1 4.37Å; I298-I310 HydrophobicContact CG2-CD1 3.57Å; I298-I310 HydrophobicContact CG2-CG1 4.09Å; I298-I310 HydrophobicContact CG2-CG2 4.34Å; N299-I310 VanDerWaalsContact OD1-CD1 3.31Å; N299-I310 WeakPolarHBondContact OD1-CD1 3.5Å; A302-I310 HydrophobicContact CB-CB 4.31Å; A302-I310 HydrophobicContact CB-CG1 3.6Å; I310-N312 PolarHBondContact O-N 3.42Å
311	P	88.4	Confident	77.4	Confident	74 Å²	74	77.2 Å²	77.2	48%	0.481	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-67.1	135.4	178.4	27.4	-33.9	0	0	0	110.5	M309	M309-P311 WeakPolarHBondContact O-CD 3.36Å
312	N	92.4	Very high	78.2	Confident	18 Å²	18	73.4 Å²	73.4	10%	0.096	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-69.3	121.9	172.8	-174.7	-30.7	0	0	0	109.7	I310 H314 L315 Q323	I310-N312 PolarHBondContact O-N 3.42Å; N312-H314 PolarHBondContact O-N 2.79Å; N312-H314 WeakPolarHBondContact OD1-CB 3.25Å; N312-H314 PolarHBondContact OD1-CD2 3.37Å; N312-H314 PolarHBondContact OD1-N 3.47Å; N312-L315 HydrophobicContact CB-CB 4.32Å; N312-L315 HydrophobicContact CB-CD1 3.69Å; N312-L315 HydrophobicContact CB-CG 3.82Å; N312-L315 PolarHBondContact O-N 2.83Å; N312-Q323 PolarHBondContact O-NE2 2.91Å
313	P	92.1	Very high	79.3	Confident	97 Å²	97	73.5 Å²	73.5	63%	0.63	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-9	-175.8	27.9	-35.7	0	0	0	114.1
314	H	94.9	Very high	81	Confident	167 Å²	167	69.6 Å²	69.6	77%	0.773	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-6.3	-178.3	-55.7	-66	0	0	0	114	N312	N312-H314 PolarHBondContact O-N 2.79Å; N312-H314 WeakPolarHBondContact OD1-CB 3.25Å; N312-H314 PolarHBondContact OD1-CD2 3.37Å; N312-H314 PolarHBondContact OD1-N 3.47Å
315	L	94.3	Very high	83.3	Confident	38 Å²	38	66.4 Å²	66.4	20%	0.199	35%	0.35	C	S	.	.			trans	-103.9	144.2	-175.8	-59.9	179.7	0	0	0	112	N312 Q323 D325	N312-L315 HydrophobicContact CB-CB 4.32Å; N312-L315 HydrophobicContact CB-CD1 3.69Å; N312-L315 HydrophobicContact CB-CG 3.82Å; N312-L315 PolarHBondContact O-N 2.83Å; L315-Q323 HydrophobicContact CB-CB 4.05Å; L315-Q323 HydrophobicContact CD1-CB 4.02Å; L315-D325 HydrophobicContact CD1-CB 3.66Å; L315-D325 HydrophobicContact CD2-CB 4.04Å
316	K	92.7	Very high	85.4	Confident	174 Å²	174	65 Å²	65	76%	0.757	34%	0.344	S	S	*	.			trans	-79.7	154.7	168.5	-63.6	-178.7	-178.4	177.8	0	109.8	Q323 I324	K316-Q323 CarbonylContact O-C 3.45Å; K316-Q323 WeakPolarHBondContact O-CA 3.47Å; K316-I324 PolarHBondContact O-N 3.45Å
317	S	90.2	Very high	87.6	Confident	67 Å²	67	62.4 Å²	62.4	47%	0.469	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-107	148.5	172.5	-58.9	0	0	0	0	111.8	W322	S317-W322 CarbonylContact C-O 3.58Å; S317-W322 WeakPolarHBondContact CA-O 3.37Å
318	S	87.8	Confident	89.5	Confident	20 Å²	20	60.1 Å²	60.1	14%	0.14	32%	0.322	C	S	.	.			trans	-66.8	172.2	162.9	63.6	0	0	0	0	111.3	W320 G321 W322	S318-W320 PolarHBondContact O-N 2.92Å; S318-G321 PolarHBondContact O-N 2.82Å; S318-W322 PolarHBondContact N-O 2.99Å; S318-W322 WeakPolarHBondContact OG-CB 3.06Å; S318-W322 PolarHBondContact OG-N 3.19Å; S318-W322 PolarHBondContact OG-O 3.18Å
319	E	83.6	Confident	90.9	Very high	122 Å²	122	54.8 Å²	54.8	57%	0.57	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.8	177	71.3	-173.1	139	0	0	113.7	G321 A353 K354	E319-G321 VanDerWaalsContact C-N 3.32Å; E319-A353 WeakPolarHBondContact OE1-CA 3.29Å; E319-A353 VanDerWaalsContact OE1-CB 3.29Å; E319-A353 WeakPolarHBondContact OE1-CB 3.33Å; E319-K354 PolarHBondContact OE1-N 3.14Å
320	W	80	Confident	91.9	Very high	53 Å²	53	55.7 Å²	55.7	20%	0.201	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.2	172.1	-94.2	-91.5	0	0	0	113.9	I306 S318 W322 A353 K354 K410	I306-W320 WeakPolarHBondContact CD1-O 3.48Å; S318-W320 PolarHBondContact O-N 2.92Å; W320-W322 VanDerWaalsContact C-N 3.27Å; W320-W322 PolarHBondContact O-N 2.76Å; W320-A353 VanDerWaalsContact CH2-C 3.45Å; W320-K354 HydrophobicContact CH2-CB 4.06Å; W320-K354 HydrophobicContact CH2-CD 4.22Å; W320-K354 HydrophobicContact CH2-CG 3.14Å; W320-K354 HydrophobicContact CZ2-CG 3.96Å; W320-K354 HydrophobicContact CZ3-CB 4.31Å; W320-K354 HydrophobicContact CZ3-CG 3.69Å; W320-K410 HydrophobicContact CD2-CD 4.37Å; W320-K410 HydrophobicContact CD2-CG 4.23Å; W320-K410 HydrophobicContact CG-CD 4.5Å; W320-K410 HydrophobicContact CH2-CB 4.08Å; W320-K410 HydrophobicContact CH2-CG 4.06Å; W320-K410 HydrophobicContact CZ2-CB 3.59Å; W320-K410 HydrophobicContact CZ2-CD 4.43Å; W320-K410 HydrophobicContact CZ2-CG 3.73Å
321	G	84.1	Confident	92.4	Very high	37 Å²	37	57.9 Å²	57.9	38%	0.381	31%	0.308	S	S	.	.	S	Bend	trans	80.9	-2.3	179.9	0	0	0	0	0	115	S318 E319	S318-G321 PolarHBondContact O-N 2.82Å; E319-G321 VanDerWaalsContact C-N 3.32Å
322	W	86.5	Confident	92.9	Very high	60 Å²	60	54.4 Å²	54.4	23%	0.227	29%	0.285	C	S	.	.			trans	-72.7	129.2	176.8	-69.6	27.5	0	0	0	110	Y287 M288 L307 S317 S318 W320	Y287-W322 VanDerWaalsContact CB-CZ3 3.48Å; Y287-W322 AromaticContact CD1-CZ3 3.88Å; Y287-W322 HydrophobicContact CD1-CZ3 3.88Å; Y287-W322 HydrophobicContact CD2-CZ3 4.15Å; Y287-W322 HydrophobicContact CG-CE3 4.34Å; Y287-W322 AromaticContact CG-CZ3 3.58Å; Y287-W322 HydrophobicContact CG-CZ3 3.58Å; M288-W322 HydrophobicContact SD-CB 3.81Å; M288-W322 HydrophobicContact SD-CD2 4.2Å; M288-W322 HydrophobicContact SD-CE3 4.4Å; M288-W322 HydrophobicContact SD-CG 4Å; L307-W322 HydrophobicContact CD1-CG 4.23Å; L307-W322 HydrophobicContact CD2-CZ2 4.27Å; S317-W322 CarbonylContact C-O 3.58Å; S317-W322 WeakPolarHBondContact CA-O 3.37Å; S318-W322 PolarHBondContact N-O 2.99Å; S318-W322 WeakPolarHBondContact OG-CB 3.06Å; S318-W322 PolarHBondContact OG-N 3.19Å; S318-W322 PolarHBondContact OG-O 3.18Å; W320-W322 VanDerWaalsContact C-N 3.27Å; W320-W322 PolarHBondContact O-N 2.76Å
323	Q	92.3	Very high	93.2	Very high	11 Å²	11	53.5 Å²	53.5	5%	0.051	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-74.4	142.9	-179.8	-58.9	-165.6	-70.3	0	0	111.4	M288 N312 L315 K316	M288-Q323 WeakPolarHBondContact CB-O 3.14Å; M288-Q323 HydrophobicContact CE-CB 3.9Å; M288-Q323 HydrophobicContact CE-CG 4.12Å; N312-Q323 PolarHBondContact O-NE2 2.91Å; L315-Q323 HydrophobicContact CB-CB 4.05Å; L315-Q323 HydrophobicContact CD1-CB 4.02Å; K316-Q323 CarbonylContact O-C 3.45Å; K316-Q323 WeakPolarHBondContact O-CA 3.47Å
324	I	95.6	Very high	93.5	Very high	48 Å²	48	50.6 Å²	50.6	25%	0.246	26%	0.26	C	S	.	.			trans	-102.3	107.5	-177.4	-60.5	174.5	0	0	0	108.1	K316 Y371	K316-I324 PolarHBondContact O-N 3.45Å; I324-Y371 HydrophobicContact CD1-CD2 4.46Å; I324-Y371 HydrophobicContact CG1-CD2 4.23Å; I324-Y371 HydrophobicContact CG1-CE2 4.45Å; I324-Y371 HydrophobicContact CG2-CD2 3.86Å; I324-Y371 HydrophobicContact CG2-CE2 4.21Å
325	D	97.1	Very high	93.7	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.043	24%	0.236	C	C	.	.			trans	-126.5	83.7	179.6	-170.3	1.6	0	0	0	111.6	Y219 Y286 T289 L315 V327 G328	Y219-D325 VanDerWaalsContact CE2-OD2 3.29Å; Y219-D325 WeakPolarHBondContact CE2-OD2 3.32Å; Y219-D325 PolarHBondContact OH-OD2 2.89Å; Y286-D325 WeakPolarHBondContact CE1-O 3.35Å; Y286-D325 PolarHBondContact OH-O 3.45Å; T289-D325 HydrophobicContact CG2-CB 4.36Å; T289-D325 WeakPolarHBondContact CG2-OD2 3.48Å; T289-D325 PolarHBondContact OG1-OD2 3.07Å; L315-D325 HydrophobicContact CD1-CB 3.66Å; L315-D325 HydrophobicContact CD2-CB 4.04Å; D325-V327 VanDerWaalsContact C-N 3.26Å; D325-V327 PolarHBondContact O-N 3.09Å; D325-V327 PolarHBondContact OD1-N 3.22Å; D325-G328 VanDerWaalsContact CG-N 3.26Å; D325-G328 PolarHBondContact O-N 3.26Å; D325-G328 PolarHBondContact OD1-N 3.05Å; D325-G328 WeakPolarHBondContact OD2-CA 3.41Å; D325-G328 PolarHBondContact OD2-N 2.99Å
326	P	97.7	Very high	93.9	Very high	25 Å²	25	43 Å²	43	16%	0.162	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-35.1	175.3	25.5	-33.9	0	0	0	111.9	G328 L329 D374 Q378	P326-G328 VanDerWaalsContact C-N 3.31Å; P326-G328 PolarHBondContact O-N 3.36Å; P326-L329 WeakPolarHBondContact O-CB 3.26Å; P326-L329 PolarHBondContact O-N 3.24Å; P326-D374 HydrophobicContact CB-CB 3.86Å; P326-D374 HydrophobicContact CG-CB 4.01Å; P326-Q378 HydrophobicContact CB-CG 4.05Å; P326-Q378 VanDerWaalsContact O-CB 3.27Å; P326-Q378 WeakPolarHBondContact O-CB 3.29Å; P326-Q378 VanDerWaalsContact O-CG 3.26Å; P326-Q378 WeakPolarHBondContact O-CG 3.38Å
327	V	97.8	Very high	94.2	Very high	73 Å²	73	36.9 Å²	36.9	44%	0.442	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-36.8	-178.7	177	0	0	0	0	110.6	D325 L329 R330 V331	D325-V327 VanDerWaalsContact C-N 3.26Å; D325-V327 PolarHBondContact O-N 3.09Å; D325-V327 PolarHBondContact OD1-N 3.22Å; V327-L329 PolarHBondContact O-N 3.32Å; V327-R330 WeakPolarHBondContact O-CB 3.5Å; V327-R330 PolarHBondContact O-N 2.93Å; V327-V331 HydrophobicContact CG1-CG2 4.42Å; V327-V331 PolarHBondContact O-N 3.42Å
328	G	97.8	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-28.4	174.8	0	0	0	0	0	114.1	Y219 Y286 D325 P326 V331 L332	Y219-G328 WeakPolarHBondContact OH-CA 3.5Å; Y286-G328 VanDerWaalsContact OH-CA 3.26Å; Y286-G328 WeakPolarHBondContact OH-CA 3.26Å; D325-G328 VanDerWaalsContact CG-N 3.26Å; D325-G328 PolarHBondContact O-N 3.26Å; D325-G328 PolarHBondContact OD1-N 3.05Å; D325-G328 WeakPolarHBondContact OD2-CA 3.41Å; D325-G328 PolarHBondContact OD2-N 2.99Å; P326-G328 VanDerWaalsContact C-N 3.31Å; P326-G328 PolarHBondContact O-N 3.36Å; G328-V331 PolarHBondContact O-N 2.91Å; G328-L332 WeakPolarHBondContact O-CB 3.35Å; G328-L332 PolarHBondContact O-N 2.9Å
329	L	98.5	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-42.8	172.2	-179.4	53.7	0	0	0	111.3	F284 Y286 P326 V327 V331 L332 L333 H375 V379	F284-L329 HydrophobicContact CE2-CD1 3.85Å; F284-L329 HydrophobicContact CZ-CD1 4.24Å; Y286-L329 HydrophobicContact CD1-CB 3.74Å; Y286-L329 HydrophobicContact CD1-CD1 3.83Å; Y286-L329 HydrophobicContact CD1-CD2 4.33Å; Y286-L329 HydrophobicContact CD1-CG 4.16Å; Y286-L329 HydrophobicContact CD2-CD1 4.4Å; Y286-L329 HydrophobicContact CE1-CB 3.61Å; Y286-L329 HydrophobicContact CG-CB 4.32Å; Y286-L329 HydrophobicContact CG-CD1 3.74Å; Y286-L329 VanDerWaalsContact CZ-N 3.31Å; Y286-L329 PolarHBondContact OH-N 2.86Å; P326-L329 WeakPolarHBondContact O-CB 3.26Å; P326-L329 PolarHBondContact O-N 3.24Å; V327-L329 PolarHBondContact O-N 3.32Å; L329-V331 VanDerWaalsContact C-N 3.34Å; L329-L332 PolarHBondContact O-N 3.17Å; L329-L333 HydrophobicContact CD1-CD1 4.14Å; L329-L333 HydrophobicContact CD1-CG 4.25Å; L329-L333 HydrophobicContact CG-CD1 4Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CD1 3.44Å; L329-L333 VanDerWaalsContact O-CG 3.26Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 3.37Å; L329-H375 HydrophobicContact CD2-CB 3.96Å; L329-V379 HydrophobicContact CD2-CG2 3.57Å; L329-V379 HydrophobicContact CG-CG2 4.26Å
330	R	98.5	Very high	95.8	Very high	67 Å²	67	36.1 Å²	36.1	25%	0.253	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-39.7	174.5	177.5	179.1	-177.9	172.9	5.6	111.5	V327 L333 N334 Q378 E381 A382 D385	V327-R330 WeakPolarHBondContact O-CB 3.5Å; V327-R330 PolarHBondContact O-N 2.93Å; R330-L333 PolarHBondContact O-N 3Å; R330-N334 PolarHBondContact O-N 3.22Å; R330-N334 PolarHBondContact O-ND2 2.9Å; R330-Q378 HydrophobicContact CB-CB 4.04Å; R330-Q378 VanDerWaalsContact CD-OE1 3.27Å; R330-E381 IonicContact CZ-OE2 3.59Å; R330-E381 IonicContact NH1-OE2 3.09Å; R330-E381 PolarHBondContact NH1-OE2 3.09Å; R330-E381 IonicContact NH2-OE2 2.78Å; R330-A382 HydrophobicContact CG-CB 4.27Å; R330-D385 IonicContact CZ-OD1 2.67Å; R330-D385 IonicContact CZ-OD2 2.81Å; R330-D385 IonicContact NE-OD1 2.97Å; R330-D385 IonicContact NE-OD2 3.3Å; R330-D385 PolarHBondContact NE-OD2 3.01Å; R330-D385 VanDerWaalsContact NH2-CG 3.27Å; R330-D385 IonicContact NH2-OD1 2.62Å; R330-D385 PolarHBondContact NH2-OD1 3.07Å; R330-D385 IonicContact NH2-OD2 2.74Å; R330-D385 PolarHBondContact NH2-OD2 3.45Å; R330-D385 VanDerWaalsContact NH2-OD2 3.09Å
331	V	98.5	Very high	96.6	Very high	57 Å²	57	39.3 Å²	39.3	35%	0.345	20%	0.203	S	C	.	.	H	α-helix	trans	-62.3	-46.8	175.7	179.9	0	0	0	0	110.4	L217 V327 G328 L329 N334 T335	L217-V331 HydrophobicContact CD2-CB 3.92Å; L217-V331 HydrophobicContact CD2-CG1 3.68Å; V327-V331 HydrophobicContact CG1-CG2 4.42Å; V327-V331 PolarHBondContact O-N 3.42Å; G328-V331 PolarHBondContact O-N 2.91Å; L329-V331 VanDerWaalsContact C-N 3.34Å; V331-N334 PolarHBondContact O-N 3Å; V331-T335 WeakPolarHBondContact O-CB 3.5Å; V331-T335 PolarHBondContact O-N 2.87Å; V331-T335 PolarHBondContact O-OG1 3.12Å
332	L	98.4	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-46.5	178.2	178	60.5	0	0	0	111.5	L217 W238 F284 Y286 G328 L329 N334 T335 L336	L217-L332 HydrophobicContact CD2-CB 4.2Å; W238-L332 HydrophobicContact CH2-CD1 3.55Å; W238-L332 HydrophobicContact CZ2-CD1 3.95Å; F284-L332 HydrophobicContact CD2-CD2 3.65Å; F284-L332 HydrophobicContact CD2-CG 4.45Å; F284-L332 HydrophobicContact CE2-CD2 3.63Å; F284-L332 HydrophobicContact CE2-CG 4.21Å; Y286-L332 HydrophobicContact CD2-CD2 3.57Å; Y286-L332 HydrophobicContact CE2-CD2 4.36Å; Y286-L332 HydrophobicContact CG-CD2 4.3Å; G328-L332 WeakPolarHBondContact O-CB 3.35Å; G328-L332 PolarHBondContact O-N 2.9Å; L329-L332 PolarHBondContact O-N 3.17Å; L332-N334 PolarHBondContact O-N 3.39Å; L332-T335 WeakPolarHBondContact O-CB 3.35Å; L332-T335 PolarHBondContact O-N 3.44Å; L332-L336 HydrophobicContact CD1-CD1 3.94Å; L332-L336 HydrophobicContact CD1-CD2 4.31Å; L332-L336 HydrophobicContact CD1-CG 3.84Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.3Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 3.37Å
333	L	98.8	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-50.2	177.7	-79.5	163.8	0	0	0	112	F284 L329 R330 L336 W337 L344 I346 V379 A382 I389	F284-L333 HydrophobicContact CE1-CD2 3.91Å; F284-L333 HydrophobicContact CZ-CD2 3.51Å; F284-L333 HydrophobicContact CZ-CG 4.01Å; L329-L333 HydrophobicContact CD1-CD1 4.14Å; L329-L333 HydrophobicContact CD1-CG 4.25Å; L329-L333 HydrophobicContact CG-CD1 4Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CD1 3.44Å; L329-L333 VanDerWaalsContact O-CG 3.26Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 3.37Å; R330-L333 PolarHBondContact O-N 3Å; L333-L336 PolarHBondContact O-N 3.37Å; L333-W337 VanDerWaalsContact O-CB 3.31Å; L333-W337 WeakPolarHBondContact O-CB 3.05Å; L333-W337 PolarHBondContact O-N 3.43Å; L333-L344 HydrophobicContact CD2-CB 4.41Å; L333-L344 HydrophobicContact CD2-CD1 3.77Å; L333-L344 VanDerWaalsContact O-CD1 3.3Å; L333-L344 WeakPolarHBondContact O-CD1 3.46Å; L333-I346 HydrophobicContact CD1-CD1 4.24Å; L333-I346 HydrophobicContact CD2-CD1 4.24Å; L333-I346 HydrophobicContact CD2-CG1 4.22Å; L333-V379 HydrophobicContact CD1-CG2 4.23Å; L333-A382 HydrophobicContact CB-CB 3.88Å; L333-A382 HydrophobicContact CD1-CB 3.65Å; L333-A382 HydrophobicContact CG-CB 4.37Å; L333-I389 HydrophobicContact CD1-CD1 3.8Å; L333-I389 HydrophobicContact CD2-CD1 3.62Å; L333-I389 HydrophobicContact CD2-CG1 4.13Å; L333-I389 HydrophobicContact CG-CD1 4.27Å
334	N	98.8	Very high	98.2	Very high	36 Å²	36	37.9 Å²	37.9	19%	0.193	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-42.2	176.1	-80.1	-85.5	0	0	0	111.4	R330 V331 L332 L336 W337 D338 D385	R330-N334 PolarHBondContact O-N 3.22Å; R330-N334 PolarHBondContact O-ND2 2.9Å; V331-N334 PolarHBondContact O-N 3Å; L332-N334 PolarHBondContact O-N 3.39Å; N334-L336 PolarHBondContact O-N 3.3Å; N334-W337 PolarHBondContact O-N 2.99Å; N334-D338 WeakPolarHBondContact O-CB 3.5Å; N334-D338 PolarHBondContact O-N 2.88Å; N334-D385 PolarHBondContact ND2-OD2 3.13Å; N334-D385 WeakPolarHBondContact OD1-CB 3.39Å
335	T	98.4	Very high	98.4	Very high	45 Å²	45	35.6 Å²	35.6	28%	0.276	18%	0.18	S	C	.	.	H	α-helix	trans	-59.4	-45.8	178.3	-60.1	0	0	0	0	112.3	M239 V331 L332 R339	M239-T335 HydrophobicContact CE-CG2 3.88Å; V331-T335 WeakPolarHBondContact O-CB 3.5Å; V331-T335 PolarHBondContact O-N 2.87Å; V331-T335 PolarHBondContact O-OG1 3.12Å; L332-T335 WeakPolarHBondContact O-CB 3.35Å; L332-T335 PolarHBondContact O-N 3.44Å; T335-R339 VanDerWaalsContact O-CB 3.23Å; T335-R339 WeakPolarHBondContact O-CB 3.42Å; T335-R339 PolarHBondContact O-N 2.84Å; T335-R339 VanDerWaalsContact O-N 3.14Å
336	L	98.5	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-40.6	179	-68	-179.2	0	0	0	111.6	W238 F284 L332 L333 N334 R339 Y340 L344	W238-L336 HydrophobicContact CH2-CD2 3.9Å; W238-L336 HydrophobicContact CZ3-CD2 4.12Å; F284-L336 HydrophobicContact CB-CD1 4.4Å; F284-L336 HydrophobicContact CD1-CD1 3.5Å; F284-L336 HydrophobicContact CD2-CD1 4.37Å; F284-L336 HydrophobicContact CE1-CD1 3.78Å; F284-L336 HydrophobicContact CG-CD1 3.84Å; F284-L336 HydrophobicContact CZ-CD1 4.32Å; L332-L336 HydrophobicContact CD1-CD1 3.94Å; L332-L336 HydrophobicContact CD1-CD2 4.31Å; L332-L336 HydrophobicContact CD1-CG 3.84Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.3Å; L332-L336 WeakPolarHBondContact O-CG 3.16Å; L332-L336 PolarHBondContact O-N 3.37Å; L333-L336 PolarHBondContact O-N 3.37Å; N334-L336 PolarHBondContact O-N 3.3Å; L336-R339 PolarHBondContact O-N 2.81Å; L336-Y340 HydrophobicContact CB-CD2 4.5Å; L336-Y340 HydrophobicContact CD2-CD2 4.29Å; L336-Y340 HydrophobicContact CD2-CE2 3.8Å; L336-Y340 WeakPolarHBondContact O-CD2 3.47Å; L336-Y340 PolarHBondContact O-N 2.83Å; L336-L344 HydrophobicContact CB-CD1 3.88Å; L336-L344 HydrophobicContact CB-CD2 3.97Å
337	W	98.6	Very high	98.5	Very high	45 Å²	45	34 Å²	34	17%	0.17	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-52.7	177.4	-175.3	-115.4	0	0	0	111.7	L333 N334 R339 Y340 Q341 K342 L344 G386 V387 D388	L333-W337 VanDerWaalsContact O-CB 3.31Å; L333-W337 WeakPolarHBondContact O-CB 3.05Å; L333-W337 PolarHBondContact O-N 3.43Å; N334-W337 PolarHBondContact O-N 2.99Å; W337-R339 PolarHBondContact O-N 3.43Å; W337-Y340 PolarHBondContact O-N 2.55Å; W337-Q341 WeakPolarHBondContact O-CA 3.26Å; W337-Q341 PolarHBondContact O-N 3.2Å; W337-Q341 PolarHBondContact O-NE2 3.35Å; W337-K342 VanDerWaalsContact CZ3-C 3.48Å; W337-K342 VanDerWaalsContact CZ3-O 3.22Å; W337-K342 WeakPolarHBondContact CZ3-O 3.34Å; W337-L344 HydrophobicContact CB-CD1 4.23Å; W337-L344 HydrophobicContact CE3-CG 4.39Å; W337-G386 PolarHBondContact NE1-O 3.48Å; W337-V387 HydrophobicContact CB-CB 4.35Å; W337-V387 HydrophobicContact CB-CG1 3.8Å; W337-V387 HydrophobicContact CB-CG2 3.95Å; W337-V387 HydrophobicContact CD2-CG1 4.19Å; W337-V387 HydrophobicContact CE3-CG1 4.39Å; W337-V387 HydrophobicContact CG-CB 4.19Å; W337-V387 HydrophobicContact CG-CG1 3.94Å; W337-V387 HydrophobicContact CG-CG2 4.02Å; W337-D388 HydrophobicContact CE3-CB 4.22Å; W337-D388 HydrophobicContact CH2-CB 3.27Å; W337-D388 HydrophobicContact CZ2-CB 4.01Å; W337-D388 HydrophobicContact CZ3-CB 3.39Å
338	D	98.6	Very high	98.6	Very high	114 Å²	114	31 Å²	31	61%	0.61	15%	0.151	S	C	*	.	H	α-helix	trans	-59.2	-34.4	178.9	-70.9	-13.3	0	0	0	111.7	N334	N334-D338 WeakPolarHBondContact O-CB 3.5Å; N334-D338 PolarHBondContact O-N 2.88Å
339	R	98.1	Very high	98.6	Very high	60 Å²	60	31 Å²	31	23%	0.226	15%	0.151	C	C	.	.	H	α-helix	trans	-74.9	-46.4	-179.9	-172.5	175.6	-168.8	83.9	1.1	113.1	D243 R247 T335 L336 W337	D243-R339 VanDerWaalsContact CG-NH2 3.27Å; D243-R339 IonicContact OD1-CZ 3.9Å; D243-R339 VanDerWaalsContact OD1-CZ 3.32Å; D243-R339 IonicContact OD1-NE 3.6Å; D243-R339 PolarHBondContact OD1-NE 2.62Å; D243-R339 IonicContact OD1-NH2 3.36Å; D243-R339 PolarHBondContact OD1-NH2 2.68Å; D243-R339 IonicContact OD2-CZ 2.64Å; D243-R339 IonicContact OD2-NE 2.8Å; D243-R339 IonicContact OD2-NH2 3.32Å; D243-R339 PolarHBondContact OD2-NH2 3.03Å; R247-R339 PolarHBondContact NH2-O 2.74Å; T335-R339 VanDerWaalsContact O-CB 3.23Å; T335-R339 WeakPolarHBondContact O-CB 3.42Å; T335-R339 PolarHBondContact O-N 2.84Å; T335-R339 VanDerWaalsContact O-N 3.14Å; L336-R339 PolarHBondContact O-N 2.81Å; W337-R339 PolarHBondContact O-N 3.43Å
340	Y	98.4	Very high	98.6	Very high	20 Å²	20	31.2 Å²	31.2	8%	0.078	15%	0.154	C	C	.	.	H	α-helix	trans	-107.1	-28.3	-166.5	-61.9	-56.7	0	0	0	114.4	M239 G242 D243 A246 I282 L336 W337 K342	M239-Y340 PolarHBondContact O-OH 2.68Å; G242-Y340 WeakPolarHBondContact CA-OH 3.36Å; D243-Y340 PolarHBondContact N-OH 3.06Å; D243-Y340 WeakPolarHBondContact OD1-CE1 3.36Å; A246-Y340 HydrophobicContact CB-CD1 3.66Å; A246-Y340 HydrophobicContact CB-CE1 4Å; A246-Y340 HydrophobicContact CB-CG 4.26Å; I282-Y340 HydrophobicContact CD1-CD2 4.36Å; I282-Y340 HydrophobicContact CD1-CG 4.45Å; I282-Y340 HydrophobicContact CG1-CD2 3.91Å; I282-Y340 HydrophobicContact CG1-CG 4.17Å; I282-Y340 HydrophobicContact CG2-CD2 4.45Å; L336-Y340 HydrophobicContact CB-CD2 4.5Å; L336-Y340 HydrophobicContact CD2-CD2 4.29Å; L336-Y340 HydrophobicContact CD2-CE2 3.8Å; L336-Y340 WeakPolarHBondContact O-CD2 3.47Å; L336-Y340 PolarHBondContact O-N 2.83Å; W337-Y340 PolarHBondContact O-N 2.55Å; Y340-K342 PolarHBondContact O-N 2.74Å
341	Q	98.6	Very high	98.5	Very high	120 Å²	120	28.8 Å²	28.8	56%	0.561	15%	0.146	S	C	*	.			trans	49.8	40.1	-173.6	-64.7	-70.8	-73.9	0	0	112.2	W337	W337-Q341 WeakPolarHBondContact O-CA 3.26Å; W337-Q341 PolarHBondContact O-N 3.2Å; W337-Q341 PolarHBondContact O-NE2 3.35Å
342	K	98.7	Very high	98.3	Very high	39 Å²	39	26.3 Å²	26.3	17%	0.17	13%	0.132	C	C	.	.	S	Bend	trans	-123.6	147.4	173.4	-71.6	-171	173.7	178.7	0	108.9	A246 T278 V279 I282 W337 Y340 L344	A246-K342 PolarHBondContact O-NZ 2.76Å; T278-K342 PolarHBondContact OG1-NZ 3.4Å; V279-K342 WeakPolarHBondContact O-CD 3.47Å; V279-K342 WeakPolarHBondContact O-CE 3.2Å; V279-K342 PolarHBondContact O-NZ 3.08Å; I282-K342 HydrophobicContact CG1-CB 4.29Å; W337-K342 VanDerWaalsContact CZ3-C 3.48Å; W337-K342 VanDerWaalsContact CZ3-O 3.22Å; W337-K342 WeakPolarHBondContact CZ3-O 3.34Å; Y340-K342 PolarHBondContact O-N 2.74Å; K342-L344 WeakPolarHBondContact O-CD2 3.25Å
343	P	98.8	Very high	98.1	Very high	39 Å²	39	26.4 Å²	26.4	25%	0.253	13%	0.132	S	C	.	.			trans	-51.1	143.1	179.1	-25.4	33.1	0	0	0	111.6	F281 I282 D388 M390	F281-P343 CarbonylContact C-O 3.49Å; F281-P343 WeakPolarHBondContact CA-O 3.22Å; F281-P343 HydrophobicContact CB-CB 4.13Å; F281-P343 VanDerWaalsContact CB-O 3.28Å; F281-P343 WeakPolarHBondContact CB-O 3.46Å; I282-P343 PolarHBondContact N-O 2.89Å; P343-D388 WeakPolarHBondContact CG-OD2 3.4Å; P343-M390 HydrophobicContact CB-CG 3.69Å; P343-M390 HydrophobicContact CB-SD 3.79Å
344	L	98.9	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146	-179.9	-56.6	-171.3	0	0	0	111.1	I282 F284 L333 L336 W337 K342 V387 D388 I389 M390	I282-L344 HydrophobicContact CB-CD2 3.78Å; I282-L344 HydrophobicContact CG1-CD2 4.39Å; I282-L344 HydrophobicContact CG2-CD2 4.38Å; I282-L344 CarbonylContact O-C 3.56Å; I282-L344 VanDerWaalsContact O-CA 3.27Å; I282-L344 WeakPolarHBondContact O-CA 3.49Å; F284-L344 HydrophobicContact CE1-CB 4.29Å; L333-L344 HydrophobicContact CD2-CB 4.41Å; L333-L344 HydrophobicContact CD2-CD1 3.77Å; L333-L344 VanDerWaalsContact O-CD1 3.3Å; L333-L344 WeakPolarHBondContact O-CD1 3.46Å; L336-L344 HydrophobicContact CB-CD1 3.88Å; L336-L344 HydrophobicContact CB-CD2 3.97Å; W337-L344 HydrophobicContact CB-CD1 4.23Å; W337-L344 HydrophobicContact CE3-CG 4.39Å; K342-L344 WeakPolarHBondContact O-CD2 3.25Å; L344-V387 HydrophobicContact CD1-CG1 3.67Å; L344-V387 HydrophobicContact CG-CG1 4.27Å; L344-D388 PolarHBondContact N-O 3.11Å; L344-I389 CarbonylContact O-C 3.46Å; L344-I389 WeakPolarHBondContact O-CA 3.16Å; L344-M390 PolarHBondContact O-N 3.23Å
345	F	98.9	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	115.2	173.4	-154.5	156.6	0	0	0	110.2	L9 L108 F281 I282 S283 F284 V347 M390 G391 T393	L9-F345 HydrophobicContact CB-CZ 3.96Å; L9-F345 HydrophobicContact CD1-CE1 3.81Å; L9-F345 HydrophobicContact CD1-CZ 3.9Å; L108-F345 HydrophobicContact CD2-CD1 4.08Å; L108-F345 HydrophobicContact CD2-CE1 3.71Å; L108-F345 HydrophobicContact CD2-CZ 3.97Å; F281-F345 HydrophobicContact CD2-CB 3.94Å; F281-F345 HydrophobicContact CD2-CD1 4.48Å; F281-F345 HydrophobicContact CE2-CB 3.99Å; F281-F345 AromaticContact CE2-CD1 3.98Å; F281-F345 HydrophobicContact CE2-CD1 3.98Å; F281-F345 HydrophobicContact CE2-CG 4.48Å; I282-F345 PolarHBondContact O-N 3.36Å; S283-F345 WeakPolarHBondContact CA-O 3.18Å; S283-F345 WeakPolarHBondContact CB-O 3.23Å; F284-F345 PolarHBondContact N-O 2.72Å; F284-F345 VanDerWaalsContact N-O 3.12Å; F345-V347 HydrophobicContact CB-CG1 4.08Å; F345-V347 HydrophobicContact CD1-CG1 4.39Å; F345-V347 HydrophobicContact CD2-CG1 3.82Å; F345-V347 HydrophobicContact CE2-CG1 4.38Å; F345-V347 HydrophobicContact CG-CG1 3.83Å; F345-V347 PolarHBondContact O-N 3.26Å; F345-V347 VanDerWaalsContact O-N 3.15Å; F345-M390 HydrophobicContact CB-CB 4.38Å; F345-M390 HydrophobicContact CB-SD 4.4Å; F345-M390 HydrophobicContact CD1-CB 4.05Å; F345-M390 HydrophobicContact CD1-CE 4.23Å; F345-M390 HydrophobicContact CD1-SD 4.26Å; F345-M390 HydrophobicContact CG-CB 4.16Å; F345-G391 WeakPolarHBondContact CD2-O 3.38Å; F345-G391 VanDerWaalsContact CE2-C 3.41Å; F345-T393 HydrophobicContact CE2-CG2 4.11Å; F345-T393 HydrophobicContact CZ-CG2 4.33Å
346	I	98.9	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	102.6	173.5	-56.7	153.5	0	0	0	107.3	F284 L333 N349 V379 I389 G391 Y392 T393	F284-I346 HydrophobicContact CE1-CG1 4.08Å; F284-I346 HydrophobicContact CE2-CG1 4.14Å; F284-I346 HydrophobicContact CZ-CB 4.49Å; F284-I346 HydrophobicContact CZ-CG1 3.54Å; L333-I346 HydrophobicContact CD1-CD1 4.24Å; L333-I346 HydrophobicContact CD2-CD1 4.24Å; L333-I346 HydrophobicContact CD2-CG1 4.22Å; I346-N349 HydrophobicContact CG2-CB 4.05Å; I346-V379 HydrophobicContact CD1-CB 4.34Å; I346-V379 HydrophobicContact CD1-CG1 3.77Å; I346-V379 HydrophobicContact CD1-CG2 3.5Å; I346-I389 HydrophobicContact CD1-CG2 4.25Å; I346-G391 PolarHBondContact N-O 3.08Å; I346-Y392 HydrophobicContact CB-CD2 3.91Å; I346-Y392 HydrophobicContact CD1-CD2 3.99Å; I346-Y392 HydrophobicContact CG2-CD2 3.6Å; I346-Y392 HydrophobicContact CG2-CE2 3.88Å; I346-Y392 WeakPolarHBondContact O-CA 2.92Å; I346-T393 PolarHBondContact O-N 3.3Å
347	V	98.8	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-10	-172.6	-65.6	0	0	0	0	114.1	A13 R68 L108 L155 M212 S283 F284 F345 T393	A13-V347 WeakPolarHBondContact CB-O 3.44Å; R68-V347 PolarHBondContact NH1-O 2.84Å; L108-V347 HydrophobicContact CD2-CG1 3.61Å; L155-V347 HydrophobicContact CD1-CG1 4.31Å; L155-V347 HydrophobicContact CD1-CG2 4.37Å; M212-V347 HydrophobicContact CE-CG2 3.93Å; M212-V347 HydrophobicContact CG-CG2 3.65Å; S283-V347 WeakPolarHBondContact OG-CG2 3.18Å; F284-V347 PolarHBondContact O-N 3.12Å; F345-V347 HydrophobicContact CB-CG1 4.08Å; F345-V347 HydrophobicContact CD1-CG1 4.39Å; F345-V347 HydrophobicContact CD2-CG1 3.82Å; F345-V347 HydrophobicContact CE2-CG1 4.38Å; F345-V347 HydrophobicContact CG-CG1 3.83Å; F345-V347 PolarHBondContact O-N 3.26Å; F345-V347 VanDerWaalsContact O-N 3.15Å; V347-T393 CarbonylContact C-O 3.59Å; V347-T393 WeakPolarHBondContact CA-OG1 3.18Å; V347-T393 PolarHBondContact O-OG1 2.93Å
348	E	98.6	Very high	97.4	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	127.9	166.7	-56.8	-173.1	-167.2	0	0	110.9	R68 H113 N158 M212 S285 Y286 Y287 W395	R68-E348 IonicContact CZ-OE1 3.96Å; R68-E348 IonicContact NH1-OE1 3.47Å; R68-E348 PolarHBondContact NH1-OE1 3.14Å; R68-E348 IonicContact NH2-OE1 2.7Å; R68-E348 PolarHBondContact NH2-OE1 2.88Å; H113-E348 IonicContact CE1-OE1 3.54Å; N158-E348 PolarHBondContact OD1-OE1 3.4Å; M212-E348 HydrophobicContact CE-CG 3.89Å; M212-E348 WeakPolarHBondContact CE-OE1 3.4Å; S285-E348 CarbonylContact C-O 3.57Å; S285-E348 VanDerWaalsContact CA-O 3.31Å; S285-E348 WeakPolarHBondContact CA-O 3.2Å; Y286-E348 PolarHBondContact N-O 3.33Å; Y287-E348 HydrophobicContact CE2-CB 4.34Å; Y287-E348 PolarHBondContact OH-OE2 2.78Å; E348-W395 HydrophobicContact CB-CB 4.15Å; E348-W395 HydrophobicContact CB-CE3 4.44Å; E348-W395 HydrophobicContact CG-CD2 4.31Å; E348-W395 HydrophobicContact CG-CE3 3.66Å; E348-W395 HydrophobicContact CG-CZ3 4.23Å
349	N	98.4	Very high	97.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.			trans	-160.4	139.8	166.2	172.7	-111.2	0	0	0	107.4	Y286 I346 Y371 Y392 S394 W395	Y286-N349 WeakPolarHBondContact O-CA 3.21Å; Y286-N349 PolarHBondContact O-ND2 2.98Å; I346-N349 HydrophobicContact CG2-CB 4.05Å; N349-Y371 PolarHBondContact ND2-OH 3.42Å; N349-Y371 VanDerWaalsContact ND2-OH 3.07Å; N349-Y392 HydrophobicContact CB-CE2 3.68Å; N349-Y392 WeakPolarHBondContact OD1-CE2 3.27Å; N349-Y392 PolarHBondContact OD1-OH 3.48Å; N349-S394 CarbonylContact O-C 3.58Å; N349-S394 VanDerWaalsContact O-CA 3.31Å; N349-S394 WeakPolarHBondContact O-CA 3.38Å; N349-W395 PolarHBondContact O-N 3.03Å
350	G	97.6	Very high	97.3	Very high	5 Å²	5	42.6 Å²	42.6	5%	0.052	24%	0.242	C	C	.	.			trans	173.5	172.5	-179.2	0	0	0	0	0	113.1	Y287 Y371	Y287-G350 VanDerWaalsContact CD1-O 3.31Å; Y287-G350 WeakPolarHBondContact CD1-O 3.43Å; G350-Y371 VanDerWaalsContact C-CE1 3.49Å
351	L	96.7	Very high	97.1	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.084	25%	0.254	C	S	.	.			trans	-116.4	114.2	178	-179.5	65.4	0	0	0	109.9	Y367 R368 Y371	L351-Y367 HydrophobicContact CD2-CD2 4.01Å; L351-R368 PolarHBondContact O-NE 3.18Å; L351-Y371 HydrophobicContact CB-CD1 3.96Å; L351-Y371 HydrophobicContact CB-CD2 4.12Å; L351-Y371 HydrophobicContact CB-CE1 4.5Å; L351-Y371 HydrophobicContact CB-CG 3.78Å; L351-Y371 HydrophobicContact CD1-CD2 4.15Å; L351-Y371 HydrophobicContact CD2-CG 4.38Å; L351-Y371 HydrophobicContact CG-CG 4.48Å
352	G	94.3	Very high	97.1	Very high	5 Å²	5	38.9 Å²	38.9	5%	0.052	24%	0.237	C	C	.	.			trans	-78	119.8	167.9	0	0	0	0	0	109.7	R411	G352-R411 WeakPolarHBondContact CA-O 3.48Å
353	A	94.7	Very high	97.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-141.2	161.4	-176.1	0	0	0	0	0	111.3	E319 W320 Y367 R411	E319-A353 WeakPolarHBondContact OE1-CA 3.29Å; E319-A353 VanDerWaalsContact OE1-CB 3.29Å; E319-A353 WeakPolarHBondContact OE1-CB 3.33Å; W320-A353 VanDerWaalsContact CH2-C 3.45Å; A353-Y367 HydrophobicContact CB-CD2 3.73Å; A353-Y367 HydrophobicContact CB-CE2 3.31Å; A353-R411 PolarHBondContact N-O 3.16Å; A353-R411 PolarHBondContact O-N 3.11Å
354	K	94.6	Very high	97	Very high	125 Å²	125	39.1 Å²	39.1	54%	0.543	24%	0.235	S	C	.	.			trans	-86	112	171.1	-70.7	-165.6	-180	180	0	106.3	E319 W320	E319-K354 PolarHBondContact OE1-N 3.14Å; W320-K354 HydrophobicContact CH2-CB 4.06Å; W320-K354 HydrophobicContact CH2-CD 4.22Å; W320-K354 HydrophobicContact CH2-CG 3.14Å; W320-K354 HydrophobicContact CZ2-CG 3.96Å; W320-K354 HydrophobicContact CZ3-CB 4.31Å; W320-K354 HydrophobicContact CZ3-CG 3.69Å
355	D	96.5	Very high	97	Very high	18 Å²	18	39.1 Å²	39.1	10%	0.096	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-83.7	138.3	174.8	-60.3	-36.2	0	0	0	110.5	I363 Y367 R368 R411 Y416 K432	D355-I363 HydrophobicContact CB-CG2 3.77Å; D355-Y367 PolarHBondContact OD1-OH 2.93Å; D355-R368 IonicContact OD1-CZ 3.89Å; D355-R368 IonicContact OD1-NH1 3.26Å; D355-R368 PolarHBondContact OD1-NH1 3.4Å; D355-R368 IonicContact OD1-NH2 2.68Å; D355-R368 PolarHBondContact OD1-NH2 3.49Å; D355-R368 IonicContact OD2-CZ 2.75Å; D355-R368 IonicContact OD2-NH1 3.07Å; D355-R368 IonicContact OD2-NH2 3.09Å; D355-R368 PolarHBondContact OD2-NH2 3.03Å; D355-R411 WeakPolarHBondContact OD2-CB 3.44Å; D355-R411 WeakPolarHBondContact OD2-CD 3.4Å; D355-Y416 HydrophobicContact CB-CD2 4.35Å; D355-Y416 HydrophobicContact CB-CE2 4.44Å; D355-K432 VanDerWaalsContact OD2-CE 3.23Å; D355-K432 WeakPolarHBondContact OD2-CE 3.46Å; D355-K432 IonicContact OD2-NZ 3.67Å; D355-K432 PolarHBondContact OD2-NZ 2.73Å
356	S	94.9	Very high	96.9	Very high	83 Å²	83	42.9 Å²	42.9	58%	0.58	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-103.2	132.5	170.2	-63.7	0	0	0	0	109.4
357	V	96.5	Very high	96.8	Very high	74 Å²	74	46.8 Å²	46.8	45%	0.448	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-87.9	118.6	171	-175.7	0	0	0	0	107.9	I363 Y416	V357-I363 HydrophobicContact CG2-CD1 4.47Å; V357-I363 HydrophobicContact CG2-CG1 4.2Å; V357-Y416 HydrophobicContact CG2-CE1 4.07Å; V357-Y416 HydrophobicContact CG2-CE2 4.04Å
358	E	97.1	Very high	96.7	Very high	93 Å²	93	46.8 Å²	46.8	44%	0.435	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-70.8	167.2	178.8	-60.8	-59.2	157.7	0	0	111.5	D360 G361 S362 Q364	E358-D360 WeakPolarHBondContact CB-OD1 3.46Å; E358-D360 PolarHBondContact O-N 3.44Å; E358-D360 VanDerWaalsContact O-N 3.1Å; E358-G361 PolarHBondContact O-N 3.4Å; E358-S362 WeakPolarHBondContact CB-O 3.49Å; E358-S362 WeakPolarHBondContact CG-O 3.46Å; E358-S362 PolarHBondContact N-O 3.32Å; E358-Q364 HydrophobicContact CG-CG 4.11Å
359	A	96.2	Very high	96.7	Very high	119 Å²	119	47.4 Å²	47.4	98%	0.983	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-23.4	-179.6	0	0	0	0	0	114.1
360	D	96.5	Very high	96.7	Very high	129 Å²	129	49.7 Å²	49.7	69%	0.69	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	1.3	175.4	69.5	-4.8	0	0	0	113.7	E358 S362	E358-D360 WeakPolarHBondContact CB-OD1 3.46Å; E358-D360 PolarHBondContact O-N 3.44Å; E358-D360 VanDerWaalsContact O-N 3.1Å; D360-S362 VanDerWaalsContact C-N 3.33Å; D360-S362 WeakPolarHBondContact OD1-CB 3.4Å; D360-S362 PolarHBondContact OD1-N 3.38Å; D360-S362 PolarHBondContact OD1-OG 3.48Å; D360-S362 PolarHBondContact OD2-OG 3.27Å
361	G	95.6	Very high	96.7	Very high	33 Å²	33	50 Å²	50	34%	0.34	29%	0.293	S	S	.	.	S	Bend	trans	85.1	-2.5	-176.7	0	0	0	0	0	114.7	E358	E358-G361 PolarHBondContact O-N 3.4Å
362	S	97.5	Very high	96.7	Very high	29 Å²	29	49.4 Å²	49.4	20%	0.203	29%	0.29	C	S	.	.			trans	-75.9	159.8	177	73.2	0	0	0	0	112.2	E358 D360 Q364	E358-S362 WeakPolarHBondContact CB-O 3.49Å; E358-S362 WeakPolarHBondContact CG-O 3.46Å; E358-S362 PolarHBondContact N-O 3.32Å; D360-S362 VanDerWaalsContact C-N 3.33Å; D360-S362 WeakPolarHBondContact OD1-CB 3.4Å; D360-S362 PolarHBondContact OD1-N 3.38Å; D360-S362 PolarHBondContact OD1-OG 3.48Å; D360-S362 PolarHBondContact OD2-OG 3.27Å; S362-Q364 PolarHBondContact OG-NE2 3.25Å
363	I	98.6	Very high	96.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	29%	0.29	C	S	.	.			trans	-124.7	113	174	-61.1	89.7	0	0	0	107.6	D355 V357 D365 Y416 T430 K432 K433	D355-I363 HydrophobicContact CB-CG2 3.77Å; V357-I363 HydrophobicContact CG2-CD1 4.47Å; V357-I363 HydrophobicContact CG2-CG1 4.2Å; I363-D365 HydrophobicContact CG2-CB 4.38Å; I363-D365 PolarHBondContact O-N 2.89Å; I363-Y416 HydrophobicContact CD1-CD2 4.49Å; I363-Y416 HydrophobicContact CD1-CG 4.1Å; I363-Y416 HydrophobicContact CG1-CD2 4.31Å; I363-Y416 HydrophobicContact CG1-CG 4.42Å; I363-T430 HydrophobicContact CD1-CG2 3.91Å; I363-K432 HydrophobicContact CB-CB 4.12Å; I363-K432 HydrophobicContact CB-CD 4.47Å; I363-K432 HydrophobicContact CB-CG 3.92Å; I363-K432 HydrophobicContact CD1-CG 4.43Å; I363-K432 HydrophobicContact CG1-CG 4.41Å; I363-K432 HydrophobicContact CG2-CB 4.31Å; I363-K432 HydrophobicContact CG2-CD 4.02Å; I363-K432 HydrophobicContact CG2-CG 4.02Å; I363-K433 WeakPolarHBondContact O-CB 3.41Å; I363-K433 PolarHBondContact O-N 3.17Å
364	Q	98.1	Very high	97.1	Very high	81 Å²	81	51.9 Å²	51.9	38%	0.379	30%	0.301	S	S	.	.			trans	-93.3	79.1	-176.2	-57.9	-60.9	-40.5	0	0	110.9	E358 S362 D366	E358-Q364 HydrophobicContact CG-CG 4.11Å; S362-Q364 PolarHBondContact OG-NE2 3.25Å; Q364-D366 PolarHBondContact O-N 3.08Å
365	D	98	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.276	C	S	.	.			trans	-95.4	50.4	-174.2	63	-20.7	0	0	0	114.1	I363 Y367 R368 I369 K433 S434	I363-D365 HydrophobicContact CG2-CB 4.38Å; I363-D365 PolarHBondContact O-N 2.89Å; D365-Y367 HydrophobicContact CB-CE1 4.17Å; D365-Y367 HydrophobicContact CB-CE2 3.8Å; D365-Y367 PolarHBondContact O-N 3.08Å; D365-Y367 VanDerWaalsContact O-N 3.15Å; D365-R368 HydrophobicContact CB-CB 4.13Å; D365-R368 WeakPolarHBondContact O-CB 3.36Å; D365-R368 PolarHBondContact O-N 2.8Å; D365-R368 IonicContact OD2-CZ 3.19Å; D365-R368 IonicContact OD2-NH1 3.43Å; D365-R368 PolarHBondContact OD2-NH1 2.91Å; D365-I369 PolarHBondContact O-N 3.19Å; D365-I369 VanDerWaalsContact O-N 3.16Å; D365-K433 WeakPolarHBondContact OD1-CB 3.26Å; D365-K433 PolarHBondContact OD1-N 3.21Å; D365-S434 VanDerWaalsContact CG-OG 3.32Å; D365-S434 WeakPolarHBondContact OD1-CB 3.3Å; D365-S434 PolarHBondContact OD1-N 3.02Å; D365-S434 PolarHBondContact OD1-OG 3.49Å; D365-S434 WeakPolarHBondContact OD2-CB 3.38Å; D365-S434 PolarHBondContact OD2-OG 3.13Å
366	D	97.4	Very high	97.4	Very high	78 Å²	78	45 Å²	45	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-57.4	-28.4	177.1	-73.4	-70	0	0	0	113	Q364 R368 I369 A370 K433	Q364-D366 PolarHBondContact O-N 3.08Å; D366-R368 VanDerWaalsContact C-N 3.33Å; D366-R368 PolarHBondContact O-N 2.92Å; D366-I369 PolarHBondContact O-N 3.25Å; D366-A370 WeakPolarHBondContact O-CB 3.28Å; D366-A370 PolarHBondContact O-N 2.86Å; D366-K433 VanDerWaalsContact OD1-CE 3.26Å; D366-K433 WeakPolarHBondContact OD1-CE 3.22Å; D366-K433 IonicContact OD1-NZ 2.78Å; D366-K433 PolarHBondContact OD1-NZ 3.2Å; D366-K433 IonicContact OD2-NZ 3.55Å; D366-K433 PolarHBondContact OD2-NZ 3.24Å
367	Y	95.6	Very high	97.6	Very high	83 Å²	83	41.5 Å²	41.5	33%	0.325	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-38.8	173.2	47.7	-96.6	0	0	0	112.4	L351 A353 D355 D365 Y371	L351-Y367 HydrophobicContact CD2-CD2 4.01Å; A353-Y367 HydrophobicContact CB-CD2 3.73Å; A353-Y367 HydrophobicContact CB-CE2 3.31Å; D355-Y367 PolarHBondContact OD1-OH 2.93Å; D365-Y367 HydrophobicContact CB-CE1 4.17Å; D365-Y367 HydrophobicContact CB-CE2 3.8Å; D365-Y367 PolarHBondContact O-N 3.08Å; D365-Y367 VanDerWaalsContact O-N 3.15Å; Y367-Y371 PolarHBondContact O-N 3.2Å; Y367-Y371 VanDerWaalsContact O-N 3.09Å
368	R	97.9	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-72.5	-42.9	178.5	-174.7	174	-66.6	108.3	-0.5	110.3	L351 D355 D365 D366 A370 Y371 L372 R411 Y412	L351-R368 PolarHBondContact O-NE 3.18Å; D355-R368 IonicContact OD1-CZ 3.89Å; D355-R368 IonicContact OD1-NH1 3.26Å; D355-R368 PolarHBondContact OD1-NH1 3.4Å; D355-R368 IonicContact OD1-NH2 2.68Å; D355-R368 PolarHBondContact OD1-NH2 3.49Å; D355-R368 IonicContact OD2-CZ 2.75Å; D355-R368 IonicContact OD2-NH1 3.07Å; D355-R368 IonicContact OD2-NH2 3.09Å; D355-R368 PolarHBondContact OD2-NH2 3.03Å; D365-R368 HydrophobicContact CB-CB 4.13Å; D365-R368 WeakPolarHBondContact O-CB 3.36Å; D365-R368 PolarHBondContact O-N 2.8Å; D365-R368 IonicContact OD2-CZ 3.19Å; D365-R368 IonicContact OD2-NH1 3.43Å; D365-R368 PolarHBondContact OD2-NH1 2.91Å; D366-R368 VanDerWaalsContact C-N 3.33Å; D366-R368 PolarHBondContact O-N 2.92Å; R368-A370 VanDerWaalsContact C-N 3.34Å; R368-A370 PolarHBondContact O-N 3.46Å; R368-Y371 PolarHBondContact O-N 3.3Å; R368-L372 HydrophobicContact CG-CD1 3.9Å; R368-L372 HydrophobicContact CG-CG 4.49Å; R368-L372 WeakPolarHBondContact O-CB 3.34Å; R368-L372 VanDerWaalsContact O-CG 3.3Å; R368-L372 WeakPolarHBondContact O-CG 3.43Å; R368-L372 PolarHBondContact O-N 3.06Å; R368-R411 PolarHBondContact NH2-O 3.45Å; R368-Y412 VanDerWaalsContact CD-O 3.29Å; R368-Y412 WeakPolarHBondContact CD-O 3.26Å; R368-Y412 PolarHBondContact NE-O 2.94Å; R368-Y412 VanDerWaalsContact NE-O 3.13Å
369	I	98.3	Very high	97.7	Very high	22 Å²	22	35.1 Å²	35.1	11%	0.113	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-47.4	173	-68	171	0	0	0	110.7	D365 D366 L372 N373 K433 W437	D365-I369 PolarHBondContact O-N 3.19Å; D365-I369 VanDerWaalsContact O-N 3.16Å; D366-I369 PolarHBondContact O-N 3.25Å; I369-L372 PolarHBondContact O-N 2.65Å; I369-N373 WeakPolarHBondContact O-CB 3.39Å; I369-N373 PolarHBondContact O-N 3.28Å; I369-K433 HydrophobicContact CD1-CB 4.43Å; I369-K433 HydrophobicContact CD1-CD 3.98Å; I369-K433 HydrophobicContact CD1-CG 3.91Å; I369-W437 HydrophobicContact CB-CD2 4.39Å; I369-W437 HydrophobicContact CB-CG 4.48Å; I369-W437 HydrophobicContact CD1-CB 3.92Å; I369-W437 HydrophobicContact CD1-CG 4.23Å; I369-W437 HydrophobicContact CG1-CB 4.07Å; I369-W437 HydrophobicContact CG1-CD2 4.13Å; I369-W437 HydrophobicContact CG1-CE3 4.31Å; I369-W437 HydrophobicContact CG1-CG 4.01Å; I369-W437 HydrophobicContact CG2-CD2 3.83Å; I369-W437 HydrophobicContact CG2-CG 3.78Å
370	A	97.1	Very high	97.8	Very high	48 Å²	48	29.9 Å²	29.9	40%	0.397	17%	0.167	S	C	.	.	H	α-helix	trans	-61.5	-47.4	179.8	0	0	0	0	0	111.9	D366 R368 N373 D374	D366-A370 WeakPolarHBondContact O-CB 3.28Å; D366-A370 PolarHBondContact O-N 2.86Å; R368-A370 VanDerWaalsContact C-N 3.34Å; R368-A370 PolarHBondContact O-N 3.46Å; A370-N373 PolarHBondContact O-N 2.8Å; A370-D374 WeakPolarHBondContact O-CB 3.5Å; A370-D374 VanDerWaalsContact O-CG 3.3Å; A370-D374 PolarHBondContact O-N 2.76Å
371	Y	97.8	Very high	97.9	Very high	11 Å²	11	25.4 Å²	25.4	4%	0.043	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-53.5	176.6	177.8	-82.4	0	0	0	111.6	Y287 I324 N349 G350 L351 Y367 R368 D374 H375	Y287-Y371 PolarHBondContact O-OH 3.17Å; I324-Y371 HydrophobicContact CD1-CD2 4.46Å; I324-Y371 HydrophobicContact CG1-CD2 4.23Å; I324-Y371 HydrophobicContact CG1-CE2 4.45Å; I324-Y371 HydrophobicContact CG2-CD2 3.86Å; I324-Y371 HydrophobicContact CG2-CE2 4.21Å; N349-Y371 PolarHBondContact ND2-OH 3.42Å; N349-Y371 VanDerWaalsContact ND2-OH 3.07Å; G350-Y371 VanDerWaalsContact C-CE1 3.49Å; L351-Y371 HydrophobicContact CB-CD1 3.96Å; L351-Y371 HydrophobicContact CB-CD2 4.12Å; L351-Y371 HydrophobicContact CB-CE1 4.5Å; L351-Y371 HydrophobicContact CB-CG 3.78Å; L351-Y371 HydrophobicContact CD1-CD2 4.15Å; L351-Y371 HydrophobicContact CD2-CG 4.38Å; L351-Y371 HydrophobicContact CG-CG 4.48Å; Y367-Y371 PolarHBondContact O-N 3.2Å; Y367-Y371 VanDerWaalsContact O-N 3.09Å; R368-Y371 PolarHBondContact O-N 3.3Å; Y371-D374 PolarHBondContact O-N 3.45Å; Y371-H375 AromaticContact CD1-ND1 3.85Å; Y371-H375 AromaticContact CD2-CE1 3.63Å; Y371-H375 AromaticContact CE1-CE1 3.78Å; Y371-H375 AromaticContact CE1-ND1 3.74Å; Y371-H375 AromaticContact CE2-CE1 3.25Å; Y371-H375 WeakPolarHBondContact CE2-CE1 3.3Å; Y371-H375 AromaticContact CE2-ND1 3.93Å; Y371-H375 AromaticContact CE2-NE2 3.8Å; Y371-H375 AromaticContact CG-ND1 3.96Å; Y371-H375 AromaticContact CZ-CE1 3.32Å; Y371-H375 AromaticContact CZ-ND1 3.78Å; Y371-H375 AromaticContact CZ-NE2 3.53Å; Y371-H375 PolarHBondContact O-N 3.21Å; Y371-H375 VanDerWaalsContact O-N 3.09Å; Y371-H375 PolarHBondContact O-ND1 2.81Å; Y371-H375 PolarHBondContact OH-NE2 3.47Å
372	L	98.5	Very high	98	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-67.3	-39.9	-176	-66.4	170.6	0	0	0	111.7	R368 I369 D374 H375 L376 Y392 F414 W437	R368-L372 HydrophobicContact CG-CD1 3.9Å; R368-L372 HydrophobicContact CG-CG 4.49Å; R368-L372 WeakPolarHBondContact O-CB 3.34Å; R368-L372 VanDerWaalsContact O-CG 3.3Å; R368-L372 WeakPolarHBondContact O-CG 3.43Å; R368-L372 PolarHBondContact O-N 3.06Å; I369-L372 PolarHBondContact O-N 2.65Å; L372-D374 PolarHBondContact O-N 3.07Å; L372-H375 PolarHBondContact O-N 3.22Å; L372-L376 VanDerWaalsContact O-CB 3.31Å; L372-L376 WeakPolarHBondContact O-CB 3.26Å; L372-L376 VanDerWaalsContact O-CG 3.31Å; L372-L376 WeakPolarHBondContact O-CG 3.44Å; L372-L376 PolarHBondContact O-N 2.74Å; L372-Y392 WeakPolarHBondContact CD2-OH 3.49Å; L372-F414 HydrophobicContact CD1-CE1 3.46Å; L372-F414 VanDerWaalsContact CD1-CE1 3.46Å; L372-F414 HydrophobicContact CD1-CZ 3.77Å; L372-W437 HydrophobicContact CB-CH2 3.46Å; L372-W437 VanDerWaalsContact CB-CH2 3.46Å; L372-W437 HydrophobicContact CB-CZ3 3.65Å; L372-W437 HydrophobicContact CD1-CZ3 3.87Å; L372-W437 HydrophobicContact CG-CZ3 4.44Å
373	N	98.4	Very high	98.1	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.059	13%	0.125	C	C	.	.	H	α-helix	trans	-56.3	-52.5	174.6	176	90.2	0	0	0	110.9	I369 A370 H375 L376 V377 W437 K450	I369-N373 WeakPolarHBondContact O-CB 3.39Å; I369-N373 PolarHBondContact O-N 3.28Å; A370-N373 PolarHBondContact O-N 2.8Å; N373-H375 VanDerWaalsContact C-N 3.34Å; N373-H375 PolarHBondContact O-N 2.85Å; N373-L376 PolarHBondContact O-N 2.79Å; N373-V377 WeakPolarHBondContact O-CG2 3.38Å; N373-V377 PolarHBondContact O-N 3.08Å; N373-W437 HydrophobicContact CB-CZ2 3.78Å; N373-K450 PolarHBondContact ND2-O 3.38Å; N373-K450 PolarHBondContact OD1-N 3.3Å
374	D	97.7	Very high	98.1	Very high	46 Å²	46	28 Å²	28	25%	0.246	16%	0.155	C	C	.	.	H	α-helix	trans	-67.1	-37.1	-174.1	-68.6	-6.2	0	0	0	111.5	P326 A370 Y371 L372 Q378	P326-D374 HydrophobicContact CB-CB 3.86Å; P326-D374 HydrophobicContact CG-CB 4.01Å; A370-D374 WeakPolarHBondContact O-CB 3.5Å; A370-D374 VanDerWaalsContact O-CG 3.3Å; A370-D374 PolarHBondContact O-N 2.76Å; Y371-D374 PolarHBondContact O-N 3.45Å; L372-D374 PolarHBondContact O-N 3.07Å; D374-Q378 WeakPolarHBondContact O-CG 3.37Å; D374-Q378 PolarHBondContact O-N 3.09Å
375	H	98.5	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.8	-46.8	174.3	-74.5	72.7	0	0	0	111.8	Y286 L329 Y371 L372 N373 V377 Q378 V379	Y286-H375 AromaticContact CD1-CD2 3.9Å; Y286-H375 AromaticContact CE1-CD2 3.64Å; Y286-H375 AromaticContact CE1-NE2 3.53Å; L329-H375 HydrophobicContact CD2-CB 3.96Å; Y371-H375 AromaticContact CD1-ND1 3.85Å; Y371-H375 AromaticContact CD2-CE1 3.63Å; Y371-H375 AromaticContact CE1-CE1 3.78Å; Y371-H375 AromaticContact CE1-ND1 3.74Å; Y371-H375 AromaticContact CE2-CE1 3.25Å; Y371-H375 WeakPolarHBondContact CE2-CE1 3.3Å; Y371-H375 AromaticContact CE2-ND1 3.93Å; Y371-H375 AromaticContact CE2-NE2 3.8Å; Y371-H375 AromaticContact CG-ND1 3.96Å; Y371-H375 AromaticContact CZ-CE1 3.32Å; Y371-H375 AromaticContact CZ-ND1 3.78Å; Y371-H375 AromaticContact CZ-NE2 3.53Å; Y371-H375 PolarHBondContact O-N 3.21Å; Y371-H375 VanDerWaalsContact O-N 3.09Å; Y371-H375 PolarHBondContact O-ND1 2.81Å; Y371-H375 PolarHBondContact OH-NE2 3.47Å; L372-H375 PolarHBondContact O-N 3.22Å; N373-H375 VanDerWaalsContact C-N 3.34Å; N373-H375 PolarHBondContact O-N 2.85Å; H375-V377 VanDerWaalsContact C-N 3.3Å; H375-V377 PolarHBondContact O-N 3.5Å; H375-Q378 CarbonylContact O-C 3.26Å; H375-Q378 WeakPolarHBondContact O-CA 3.29Å; H375-Q378 WeakPolarHBondContact O-CB 3.3Å; H375-Q378 PolarHBondContact O-N 3.29Å; H375-V379 WeakPolarHBondContact O-CG2 3.19Å; H375-V379 PolarHBondContact O-N 3.32Å
376	L	98.7	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-31.1	178.9	-74	173.4	0	0	0	112.8	W10 L372 N373 Q378 V379 N380 Y392 W437 Y438 V441 L449	W10-L376 HydrophobicContact CH2-CD2 4.46Å; W10-L376 HydrophobicContact CZ3-CD1 4.22Å; W10-L376 HydrophobicContact CZ3-CD2 3.97Å; L372-L376 VanDerWaalsContact O-CB 3.31Å; L372-L376 WeakPolarHBondContact O-CB 3.26Å; L372-L376 VanDerWaalsContact O-CG 3.31Å; L372-L376 WeakPolarHBondContact O-CG 3.44Å; L372-L376 PolarHBondContact O-N 2.74Å; N373-L376 PolarHBondContact O-N 2.79Å; L376-Q378 VanDerWaalsContact C-N 3.27Å; L376-Q378 PolarHBondContact O-N 3.43Å; L376-V379 HydrophobicContact CD2-CG2 4.47Å; L376-V379 PolarHBondContact O-N 3.15Å; L376-N380 PolarHBondContact O-N 3.37Å; L376-Y392 HydrophobicContact CD2-CD1 3.82Å; L376-Y392 HydrophobicContact CD2-CD2 3.75Å; L376-Y392 HydrophobicContact CD2-CE1 3.97Å; L376-Y392 HydrophobicContact CD2-CE2 3.9Å; L376-Y392 HydrophobicContact CD2-CG 3.71Å; L376-Y392 HydrophobicContact CG-CE1 4.48Å; L376-W437 HydrophobicContact CD1-CH2 4.06Å; L376-Y438 HydrophobicContact CD1-CE2 4.22Å; L376-V441 HydrophobicContact CD1-CG1 4.16Å; L376-L449 HydrophobicContact CB-CD1 3.79Å; L376-L449 HydrophobicContact CB-CD2 3.94Å; L376-L449 HydrophobicContact CD1-CD2 4.19Å
377	V	98.5	Very high	98.1	Very high	8 Å²	8	26.3 Å²	26.3	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-42.9	168.7	167.3	0	0	0	0	110.2	M1 N373 H375 N380 E381 L449 K451	M1-V377 HydrophobicContact CE-CG2 4.11Å; M1-V377 HydrophobicContact SD-CB 4.24Å; M1-V377 HydrophobicContact SD-CG1 3.93Å; M1-V377 HydrophobicContact SD-CG2 3.8Å; N373-V377 WeakPolarHBondContact O-CG2 3.38Å; N373-V377 PolarHBondContact O-N 3.08Å; H375-V377 VanDerWaalsContact C-N 3.3Å; H375-V377 PolarHBondContact O-N 3.5Å; V377-N380 WeakPolarHBondContact O-CB 3.42Å; V377-N380 PolarHBondContact O-N 3.11Å; V377-E381 VanDerWaalsContact O-CG 3.29Å; V377-E381 WeakPolarHBondContact O-CG 3.4Å; V377-E381 PolarHBondContact O-N 3.32Å; V377-L449 HydrophobicContact CG2-CB 4.17Å; V377-K451 HydrophobicContact CG1-CB 4.34Å; V377-K451 HydrophobicContact CG1-CG 4.06Å
378	Q	98.5	Very high	98.3	Very high	33 Å²	33	26.1 Å²	26.1	15%	0.154	17%	0.165	C	C	.	.	H	α-helix	trans	-71.9	-31.6	179	-65.5	-64.7	-27.3	0	0	112.7	P326 R330 D374 H375 L376 E381 A382	P326-Q378 HydrophobicContact CB-CG 4.05Å; P326-Q378 VanDerWaalsContact O-CB 3.27Å; P326-Q378 WeakPolarHBondContact O-CB 3.29Å; P326-Q378 VanDerWaalsContact O-CG 3.26Å; P326-Q378 WeakPolarHBondContact O-CG 3.38Å; R330-Q378 HydrophobicContact CB-CB 4.04Å; R330-Q378 VanDerWaalsContact CD-OE1 3.27Å; D374-Q378 WeakPolarHBondContact O-CG 3.37Å; D374-Q378 PolarHBondContact O-N 3.09Å; H375-Q378 CarbonylContact O-C 3.26Å; H375-Q378 WeakPolarHBondContact O-CA 3.29Å; H375-Q378 WeakPolarHBondContact O-CB 3.3Å; H375-Q378 PolarHBondContact O-N 3.29Å; L376-Q378 VanDerWaalsContact C-N 3.27Å; L376-Q378 PolarHBondContact O-N 3.43Å; Q378-E381 PolarHBondContact O-N 3.3Å; Q378-A382 PolarHBondContact O-N 2.95Å
379	V	98.7	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-45.1	167.9	-176.9	0	0	0	0	110.7	F4 F8 L329 L333 I346 H375 L376 E381 A382 I383 I389	F4-V379 HydrophobicContact CE1-CB 4.29Å; F4-V379 HydrophobicContact CE1-CG1 3.8Å; F4-V379 HydrophobicContact CZ-CB 4.35Å; F4-V379 HydrophobicContact CZ-CG1 4.35Å; F8-V379 HydrophobicContact CZ-CG1 4.42Å; L329-V379 HydrophobicContact CD2-CG2 3.57Å; L329-V379 HydrophobicContact CG-CG2 4.26Å; L333-V379 HydrophobicContact CD1-CG2 4.23Å; I346-V379 HydrophobicContact CD1-CB 4.34Å; I346-V379 HydrophobicContact CD1-CG1 3.77Å; I346-V379 HydrophobicContact CD1-CG2 3.5Å; H375-V379 WeakPolarHBondContact O-CG2 3.19Å; H375-V379 PolarHBondContact O-N 3.32Å; L376-V379 HydrophobicContact CD2-CG2 4.47Å; L376-V379 PolarHBondContact O-N 3.15Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 3.47Å; V379-A382 PolarHBondContact O-N 3.14Å; V379-I383 HydrophobicContact CG1-CD1 4.45Å; V379-I383 WeakPolarHBondContact O-CG1 3.42Å; V379-I383 PolarHBondContact O-N 3.1Å; V379-I389 HydrophobicContact CG1-CD1 3.73Å; V379-I389 HydrophobicContact CG1-CG2 4.44Å
380	N	98.3	Very high	98.3	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-38.5	176.8	-166.7	-105	0	0	0	111.9	M1 K2 F4 L376 V377 I383 A384	M1-N380 WeakPolarHBondContact CB-OD1 3.24Å; K2-N380 PolarHBondContact O-ND2 3.45Å; F4-N380 VanDerWaalsContact CD2-ND2 3.31Å; F4-N380 WeakPolarHBondContact CD2-ND2 3.26Å; F4-N380 HydrophobicContact CE2-CB 3.7Å; F4-N380 WeakPolarHBondContact CE2-ND2 3.17Å; F4-N380 HydrophobicContact CZ-CB 3.7Å; L376-N380 PolarHBondContact O-N 3.37Å; V377-N380 WeakPolarHBondContact O-CB 3.42Å; V377-N380 PolarHBondContact O-N 3.11Å; N380-I383 PolarHBondContact O-N 3.5Å; N380-A384 PolarHBondContact O-N 2.93Å; N380-A384 VanDerWaalsContact O-N 3.11Å
381	E	98.2	Very high	98.4	Very high	35 Å²	35	25 Å²	25	16%	0.164	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-40.1	175.7	-66.8	-78	140.8	0	0	112.4	R330 V377 Q378 V379 I383 A384 D385 K451	R330-E381 IonicContact CZ-OE2 3.59Å; R330-E381 IonicContact NH1-OE2 3.09Å; R330-E381 PolarHBondContact NH1-OE2 3.09Å; R330-E381 IonicContact NH2-OE2 2.78Å; V377-E381 VanDerWaalsContact O-CG 3.29Å; V377-E381 WeakPolarHBondContact O-CG 3.4Å; V377-E381 PolarHBondContact O-N 3.32Å; Q378-E381 PolarHBondContact O-N 3.3Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 3.47Å; E381-I383 VanDerWaalsContact C-N 3.34Å; E381-I383 PolarHBondContact O-N 2.94Å; E381-A384 CarbonylContact O-C 3.48Å; E381-A384 WeakPolarHBondContact O-CA 3.42Å; E381-A384 WeakPolarHBondContact O-CB 3.33Å; E381-A384 PolarHBondContact O-N 3.38Å; E381-D385 VanDerWaalsContact O-CG 3.28Å; E381-D385 PolarHBondContact O-N 3.06Å; E381-K451 IonicContact OE1-NZ 2.83Å; E381-K451 PolarHBondContact OE1-NZ 3.42Å; E381-K451 IonicContact OE2-NZ 2.82Å
382	A	98.6	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63	-38	173.9	0	0	0	0	0	112.4	R330 L333 Q378 V379 A384 D385 G386 V387 I389	R330-A382 HydrophobicContact CG-CB 4.27Å; L333-A382 HydrophobicContact CB-CB 3.88Å; L333-A382 HydrophobicContact CD1-CB 3.65Å; L333-A382 HydrophobicContact CG-CB 4.37Å; Q378-A382 PolarHBondContact O-N 2.95Å; V379-A382 PolarHBondContact O-N 3.14Å; A382-A384 VanDerWaalsContact C-N 3.26Å; A382-A384 PolarHBondContact O-N 3.17Å; A382-D385 WeakPolarHBondContact O-CB 3.43Å; A382-D385 PolarHBondContact O-N 3.45Å; A382-D385 VanDerWaalsContact O-N 3.11Å; A382-G386 PolarHBondContact O-N 2.89Å; A382-V387 HydrophobicContact CB-CB 4.44Å; A382-V387 HydrophobicContact CB-CG2 4.29Å; A382-V387 VanDerWaalsContact O-CB 3.31Å; A382-V387 WeakPolarHBondContact O-CB 3.43Å; A382-V387 WeakPolarHBondContact O-CG2 3.45Å; A382-V387 PolarHBondContact O-N 2.85Å; A382-V387 VanDerWaalsContact O-N 3.12Å; A382-I389 HydrophobicContact CB-CD1 4.12Å
383	I	98.5	Very high	98.5	Very high	40 Å²	40	24.3 Å²	24.3	21%	0.205	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-39.5	171	-65.1	171.2	0	0	0	110.2	F4 P5 F8 V379 N380 E381 D385 G386 I389	F4-I383 HydrophobicContact CD1-CD1 3.44Å; F4-I383 VanDerWaalsContact CD1-CD1 3.44Å; F4-I383 HydrophobicContact CE1-CD1 3.6Å; F4-I383 HydrophobicContact CG-CD1 4.35Å; P5-I383 HydrophobicContact CG-CG2 4.43Å; F8-I383 HydrophobicContact CD2-CD1 4.29Å; F8-I383 HydrophobicContact CE2-CD1 4.03Å; V379-I383 HydrophobicContact CG1-CD1 4.45Å; V379-I383 WeakPolarHBondContact O-CG1 3.42Å; V379-I383 PolarHBondContact O-N 3.1Å; N380-I383 PolarHBondContact O-N 3.5Å; E381-I383 VanDerWaalsContact C-N 3.34Å; E381-I383 PolarHBondContact O-N 2.94Å; I383-D385 VanDerWaalsContact C-N 3.28Å; I383-D385 PolarHBondContact O-N 3.09Å; I383-G386 PolarHBondContact O-N 3.15Å; I383-G386 VanDerWaalsContact O-N 3.11Å; I383-I389 HydrophobicContact CG1-CB 4.23Å; I383-I389 HydrophobicContact CG1-CD1 3.77Å; I383-I389 HydrophobicContact CG1-CG1 4.09Å
384	A	97.8	Very high	98.5	Very high	77 Å²	77	23.9 Å²	23.9	64%	0.636	15%	0.147	S	C	*	.	H	α-helix	trans	-69.1	-25.1	175.8	0	0	0	0	0	113.3	N380 E381 A382 G386	N380-A384 PolarHBondContact O-N 2.93Å; N380-A384 VanDerWaalsContact O-N 3.11Å; E381-A384 CarbonylContact O-C 3.48Å; E381-A384 WeakPolarHBondContact O-CA 3.42Å; E381-A384 WeakPolarHBondContact O-CB 3.33Å; E381-A384 PolarHBondContact O-N 3.38Å; A382-A384 VanDerWaalsContact C-N 3.26Å; A382-A384 PolarHBondContact O-N 3.17Å; A384-G386 PolarHBondContact O-N 2.9Å
385	D	98.4	Very high	98.6	Very high	70 Å²	70	22.4 Å²	22.4	37%	0.374	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.3	170.9	-61.3	-30.2	0	0	0	112.7	R330 N334 E381 A382 I383	R330-D385 IonicContact CZ-OD1 2.67Å; R330-D385 IonicContact CZ-OD2 2.81Å; R330-D385 IonicContact NE-OD1 2.97Å; R330-D385 IonicContact NE-OD2 3.3Å; R330-D385 PolarHBondContact NE-OD2 3.01Å; R330-D385 VanDerWaalsContact NH2-CG 3.27Å; R330-D385 IonicContact NH2-OD1 2.62Å; R330-D385 PolarHBondContact NH2-OD1 3.07Å; R330-D385 IonicContact NH2-OD2 2.74Å; R330-D385 PolarHBondContact NH2-OD2 3.45Å; R330-D385 VanDerWaalsContact NH2-OD2 3.09Å; N334-D385 PolarHBondContact ND2-OD2 3.13Å; N334-D385 WeakPolarHBondContact OD1-CB 3.39Å; E381-D385 VanDerWaalsContact O-CG 3.28Å; E381-D385 PolarHBondContact O-N 3.06Å; A382-D385 WeakPolarHBondContact O-CB 3.43Å; A382-D385 PolarHBondContact O-N 3.45Å; A382-D385 VanDerWaalsContact O-N 3.11Å; I383-D385 VanDerWaalsContact C-N 3.28Å; I383-D385 PolarHBondContact O-N 3.09Å
386	G	98.2	Very high	98.6	Very high	49 Å²	49	22.4 Å²	22.4	51%	0.505	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.1	12.8	-180	0	0	0	0	0	114.4	W337 A382 I383 A384	W337-G386 PolarHBondContact NE1-O 3.48Å; A382-G386 PolarHBondContact O-N 2.89Å; I383-G386 PolarHBondContact O-N 3.15Å; I383-G386 VanDerWaalsContact O-N 3.11Å; A384-G386 PolarHBondContact O-N 2.9Å
387	V	98.7	Very high	98.6	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.03	14%	0.138	C	C	.	.			trans	-72.7	127.4	174	-177.8	0	0	0	0	110.1	W337 L344 A382 I389	W337-V387 HydrophobicContact CB-CB 4.35Å; W337-V387 HydrophobicContact CB-CG1 3.8Å; W337-V387 HydrophobicContact CB-CG2 3.95Å; W337-V387 HydrophobicContact CD2-CG1 4.19Å; W337-V387 HydrophobicContact CE3-CG1 4.39Å; W337-V387 HydrophobicContact CG-CB 4.19Å; W337-V387 HydrophobicContact CG-CG1 3.94Å; W337-V387 HydrophobicContact CG-CG2 4.02Å; L344-V387 HydrophobicContact CD1-CG1 3.67Å; L344-V387 HydrophobicContact CG-CG1 4.27Å; A382-V387 HydrophobicContact CB-CB 4.44Å; A382-V387 HydrophobicContact CB-CG2 4.29Å; A382-V387 VanDerWaalsContact O-CB 3.31Å; A382-V387 WeakPolarHBondContact O-CB 3.43Å; A382-V387 WeakPolarHBondContact O-CG2 3.45Å; A382-V387 PolarHBondContact O-N 2.85Å; A382-V387 VanDerWaalsContact O-N 3.12Å; V387-I389 HydrophobicContact CB-CD1 4.49Å; V387-I389 HydrophobicContact CB-CG1 4.24Å; V387-I389 HydrophobicContact CG1-CD1 4.15Å; V387-I389 HydrophobicContact CG1-CG1 3.66Å; V387-I389 PolarHBondContact O-N 3.39Å
388	D	98.6	Very high	98.6	Very high	79 Å²	79	22.1 Å²	22.1	42%	0.422	14%	0.136	S	C	.	.			trans	-79.6	108.9	172.4	-172.6	11.2	0	0	0	110.2	W337 P343 L344	W337-D388 HydrophobicContact CE3-CB 4.22Å; W337-D388 HydrophobicContact CH2-CB 3.27Å; W337-D388 HydrophobicContact CZ2-CB 4.01Å; W337-D388 HydrophobicContact CZ3-CB 3.39Å; P343-D388 WeakPolarHBondContact CG-OD2 3.4Å; L344-D388 PolarHBondContact N-O 3.11Å
389	I	98.7	Very high	98.6	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.041	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.4	-178.9	-50.8	-177.8	0	0	0	108.7	F8 L333 L344 I346 V379 A382 I383 V387	F8-I389 HydrophobicContact CE2-CB 4.22Å; F8-I389 HydrophobicContact CE2-CG2 3.8Å; F8-I389 HydrophobicContact CZ-CG2 4.42Å; L333-I389 HydrophobicContact CD1-CD1 3.8Å; L333-I389 HydrophobicContact CD2-CD1 3.62Å; L333-I389 HydrophobicContact CD2-CG1 4.13Å; L333-I389 HydrophobicContact CG-CD1 4.27Å; L344-I389 CarbonylContact O-C 3.46Å; L344-I389 WeakPolarHBondContact O-CA 3.16Å; I346-I389 HydrophobicContact CD1-CG2 4.25Å; V379-I389 HydrophobicContact CG1-CD1 3.73Å; V379-I389 HydrophobicContact CG1-CG2 4.44Å; A382-I389 HydrophobicContact CB-CD1 4.12Å; I383-I389 HydrophobicContact CG1-CB 4.23Å; I383-I389 HydrophobicContact CG1-CD1 3.77Å; I383-I389 HydrophobicContact CG1-CG1 4.09Å; V387-I389 HydrophobicContact CB-CD1 4.49Å; V387-I389 HydrophobicContact CB-CG1 4.24Å; V387-I389 HydrophobicContact CG1-CD1 4.15Å; V387-I389 HydrophobicContact CG1-CG1 3.66Å; V387-I389 PolarHBondContact O-N 3.39Å
390	M	98.7	Very high	98.5	Very high	39 Å²	39	20.7 Å²	20.7	19%	0.192	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-36.1	-178.9	-63.2	173	68.8	0	0	112.5	L9 L153 F281 P343 L344 F345	L9-M390 PolarHBondContact N-O 3.42Å; L153-M390 HydrophobicContact CD2-CE 3.99Å; F281-M390 HydrophobicContact CB-SD 3.5Å; F281-M390 WeakPolarHBondContact CB-SD 3.45Å; F281-M390 HydrophobicContact CD1-CE 4.16Å; F281-M390 HydrophobicContact CD1-SD 4.1Å; F281-M390 HydrophobicContact CD2-CE 4.49Å; F281-M390 HydrophobicContact CD2-SD 3.75Å; F281-M390 HydrophobicContact CE1-CE 4.44Å; F281-M390 HydrophobicContact CE2-SD 4.45Å; F281-M390 HydrophobicContact CG-CE 4.19Å; F281-M390 HydrophobicContact CG-SD 3.53Å; F281-M390 VanDerWaalsContact CG-SD 3.53Å; P343-M390 HydrophobicContact CB-CG 3.69Å; P343-M390 HydrophobicContact CB-SD 3.79Å; L344-M390 PolarHBondContact O-N 3.23Å; F345-M390 HydrophobicContact CB-CB 4.38Å; F345-M390 HydrophobicContact CB-SD 4.4Å; F345-M390 HydrophobicContact CD1-CB 4.05Å; F345-M390 HydrophobicContact CD1-CE 4.23Å; F345-M390 HydrophobicContact CD1-SD 4.26Å; F345-M390 HydrophobicContact CG-CB 4.16Å
391	G	98.8	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.4	-176.8	-174.3	0	0	0	0	0	114.7	F8 L9 F345 I346	F8-G391 VanDerWaalsContact CZ-C 3.48Å; L9-G391 CarbonylContact O-C 3.55Å; L9-G391 WeakPolarHBondContact O-CA 3.23Å; F345-G391 WeakPolarHBondContact CD2-O 3.38Å; F345-G391 VanDerWaalsContact CE2-C 3.41Å; I346-G391 PolarHBondContact N-O 3.08Å
392	Y	98.9	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	119.5	178.6	176.6	-87.4	0	0	0	109.9	L9 G11 I346 N349 L372 L376 Y438	L9-Y392 PolarHBondContact O-N 3.05Å; G11-Y392 PolarHBondContact N-O 3.07Å; I346-Y392 HydrophobicContact CB-CD2 3.91Å; I346-Y392 HydrophobicContact CD1-CD2 3.99Å; I346-Y392 HydrophobicContact CG2-CD2 3.6Å; I346-Y392 HydrophobicContact CG2-CE2 3.88Å; I346-Y392 WeakPolarHBondContact O-CA 2.92Å; N349-Y392 HydrophobicContact CB-CE2 3.68Å; N349-Y392 WeakPolarHBondContact OD1-CE2 3.27Å; N349-Y392 PolarHBondContact OD1-OH 3.48Å; L372-Y392 WeakPolarHBondContact CD2-OH 3.49Å; L376-Y392 HydrophobicContact CD2-CD1 3.82Å; L376-Y392 HydrophobicContact CD2-CD2 3.75Å; L376-Y392 HydrophobicContact CD2-CE1 3.97Å; L376-Y392 HydrophobicContact CD2-CE2 3.9Å; L376-Y392 HydrophobicContact CD2-CG 3.71Å; L376-Y392 HydrophobicContact CG-CE1 4.48Å; Y392-Y438 WeakPolarHBondContact CD1-OH 3.46Å; Y392-Y438 HydrophobicContact CE1-CE2 4.43Å
393	T	98.9	Very high	97.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.6	170.2	59.1	0	0	0	0	109.9	G11 F345 I346 V347	G11-T393 WeakPolarHBondContact O-CA 3.42Å; F345-T393 HydrophobicContact CE2-CG2 4.11Å; F345-T393 HydrophobicContact CZ-CG2 4.33Å; I346-T393 PolarHBondContact O-N 3.3Å; V347-T393 CarbonylContact C-O 3.59Å; V347-T393 WeakPolarHBondContact CA-OG1 3.18Å; V347-T393 PolarHBondContact O-OG1 2.93Å
394	S	98.8	Very high	96.9	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	139.7	176.3	59.6	0	0	0	0	110.9	G11 G12 A13 N349 F414	G11-S394 PolarHBondContact O-N 3.27Å; G11-S394 PolarHBondContact O-OG 3Å; G12-S394 CarbonylContact C-O 3.56Å; G12-S394 WeakPolarHBondContact CA-O 3.32Å; A13-S394 PolarHBondContact N-O 3.49Å; N349-S394 CarbonylContact O-C 3.58Å; N349-S394 VanDerWaalsContact O-CA 3.31Å; N349-S394 WeakPolarHBondContact O-CA 3.38Å; S394-F414 WeakPolarHBondContact OG-CE2 2.92Å
395	W	98.7	Very high	96.2	Very high	16 Å²	16	23.9 Å²	23.9	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.1	178.5	179.1	-115.7	0	0	0	112.1	A13 A15 Y287 E348 N349 L400 Y412	A13-W395 HydrophobicContact CB-CE3 3.99Å; A13-W395 HydrophobicContact CB-CZ3 4.36Å; A15-W395 HydrophobicContact CB-CH2 4.24Å; Y287-W395 HydrophobicContact CE1-CB 4.35Å; Y287-W395 VanDerWaalsContact OH-CB 3.22Å; Y287-W395 WeakPolarHBondContact OH-CB 3.42Å; Y287-W395 VanDerWaalsContact OH-CD1 3.24Å; E348-W395 HydrophobicContact CB-CB 4.15Å; E348-W395 HydrophobicContact CB-CE3 4.44Å; E348-W395 HydrophobicContact CG-CD2 4.31Å; E348-W395 HydrophobicContact CG-CE3 3.66Å; E348-W395 HydrophobicContact CG-CZ3 4.23Å; N349-W395 PolarHBondContact O-N 3.03Å; W395-L400 HydrophobicContact CH2-CD2 4.44Å; W395-L400 HydrophobicContact CZ2-CD1 4.27Å; W395-L400 HydrophobicContact CZ2-CD2 3.97Å; W395-Y412 AromaticContact CD1-CD1 3.64Å; W395-Y412 AromaticContact CD1-CE1 3.83Å; W395-Y412 AromaticContact CD1-CG 3.8Å
396	G	98.4	Very high	95.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.132	C	C	.	.			trans	53.5	60.7	176	0	0	0	0	0	113.2	A13 I398 L400 Y412 G413	A13-G396 WeakPolarHBondContact O-CA 3.36Å; A13-G396 PolarHBondContact O-N 3.06Å; G396-I398 CarbonylContact C-O 3.55Å; G396-I398 VanDerWaalsContact C-O 3.29Å; G396-I398 CarbonylContact O-C 3.31Å; G396-I398 PolarHBondContact O-N 3.38Å; G396-I398 VanDerWaalsContact O-N 3.14Å; G396-I398 VanDerWaalsContact O-O 3.1Å; G396-L400 VanDerWaalsContact CA-CD2 3.46Å; G396-Y412 CarbonylContact O-C 3.59Å; G396-G413 WeakPolarHBondContact O-CA 3.3Å; G396-G413 PolarHBondContact O-N 2.86Å; G396-G413 VanDerWaalsContact O-N 3.13Å
397	P	98.8	Very high	95.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.122	C	C	.	.	S	Bend	trans	-61.1	-22.8	-177.6	29.3	-38.3	0	0	0	113.1	A13 T14 F59 F64 L67 G413 F414 I415	A13-P397 WeakPolarHBondContact O-CD 3.43Å; T14-P397 HydrophobicContact CG2-CG 4.3Å; F59-P397 HydrophobicContact CD1-CB 4.49Å; F59-P397 HydrophobicContact CE1-CB 3.98Å; F59-P397 HydrophobicContact CE1-CG 3.79Å; F59-P397 HydrophobicContact CZ-CG 4.11Å; F64-P397 HydrophobicContact CE2-CB 3.92Å; F64-P397 HydrophobicContact CE2-CG 4.17Å; F64-P397 HydrophobicContact CZ-CB 3.74Å; F64-P397 HydrophobicContact CZ-CG 4.48Å; L67-P397 HydrophobicContact CD1-CG 4.39Å; P397-G413 CarbonylContact O-C 3.54Å; P397-G413 WeakPolarHBondContact O-CA 3.24Å; P397-F414 HydrophobicContact CB-CD2 4.01Å; P397-F414 HydrophobicContact CB-CE2 4.33Å; P397-F414 PolarHBondContact O-N 3.25Å; P397-I415 PolarHBondContact O-N 3.27Å
398	I	98.9	Very high	95.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-112.7	142.4	163.3	-174.7	162.6	0	0	0	107.5	T14 I46 D55 F59 G396 L400 I415 V417 R429	T14-I398 HydrophobicContact CG2-CG2 4.41Å; I46-I398 HydrophobicContact CD1-CD1 3.81Å; I46-I398 HydrophobicContact CD1-CG1 3.88Å; I46-I398 HydrophobicContact CD1-CG2 3.82Å; D55-I398 HydrophobicContact CB-CD1 4.32Å; D55-I398 WeakPolarHBondContact OD1-CD1 3.38Å; F59-I398 HydrophobicContact CE1-CB 4.19Å; F59-I398 HydrophobicContact CE1-CG2 4.33Å; F59-I398 HydrophobicContact CZ-CB 4.18Å; F59-I398 HydrophobicContact CZ-CG2 3.85Å; G396-I398 CarbonylContact C-O 3.55Å; G396-I398 VanDerWaalsContact C-O 3.29Å; G396-I398 CarbonylContact O-C 3.31Å; G396-I398 PolarHBondContact O-N 3.38Å; G396-I398 VanDerWaalsContact O-N 3.14Å; G396-I398 VanDerWaalsContact O-O 3.1Å; I398-L400 PolarHBondContact O-N 2.86Å; I398-I415 HydrophobicContact CB-CB 4.18Å; I398-I415 HydrophobicContact CB-CD1 4.33Å; I398-I415 HydrophobicContact CD1-CB 4.45Å; I398-I415 HydrophobicContact CD1-CG2 4.02Å; I398-I415 HydrophobicContact CG1-CB 3.99Å; I398-I415 HydrophobicContact CG1-CG2 3.96Å; I398-V417 HydrophobicContact CD1-CG2 3.85Å; I398-V417 HydrophobicContact CG1-CG2 3.48Å; I398-V417 VanDerWaalsContact CG1-CG2 3.48Å; I398-R429 HydrophobicContact CD1-CG 3.73Å
399	D	98.6	Very high	94.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.			trans	-53.9	137.6	177	-73.6	-13.5	0	0	0	110.7	I46 M408 R411 G413 I415 Y416 V417 K432	I46-D399 WeakPolarHBondContact CD1-O 3.49Å; I46-D399 WeakPolarHBondContact CG2-O 3.46Å; D399-M408 HydrophobicContact CB-CE 3.95Å; D399-R411 WeakPolarHBondContact OD1-CB 3.44Å; D399-R411 VanDerWaalsContact OD2-CD 3.26Å; D399-R411 WeakPolarHBondContact OD2-CD 3.36Å; D399-R411 WeakPolarHBondContact OD2-CG 3.39Å; D399-R411 IonicContact OD2-CZ 3.03Å; D399-R411 IonicContact OD2-NE 2.83Å; D399-R411 IonicContact OD2-NH1 3.68Å; D399-R411 PolarHBondContact OD2-NH1 2.84Å; D399-G413 PolarHBondContact OD1-N 3.16Å; D399-I415 PolarHBondContact N-O 2.77Å; D399-Y416 WeakPolarHBondContact OD2-CA 3.42Å; D399-V417 HydrophobicContact CB-CB 4.11Å; D399-V417 HydrophobicContact CB-CG2 4.11Å; D399-V417 PolarHBondContact OD2-N 3.42Å; D399-K432 IonicContact OD1-NZ 2.65Å; D399-K432 PolarHBondContact OD1-NZ 3.37Å; D399-K432 IonicContact OD2-NZ 3.29Å; D399-K432 PolarHBondContact OD2-NZ 3.13Å
400	L	97.9	Very high	94.7	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	11%	0.111	C	C	.	.			trans	-140.5	164.3	-172	55.8	71	0	0	0	110.3	T14 Q18 V19 W395 G396 I398 S402 M408	T14-L400 HydrophobicContact CG2-CD2 4.29Å; Q18-L400 HydrophobicContact CB-CB 4.4Å; Q18-L400 HydrophobicContact CB-CD1 4.4Å; V19-L400 HydrophobicContact CG1-CB 3.59Å; V19-L400 HydrophobicContact CG1-CD2 4.23Å; W395-L400 HydrophobicContact CH2-CD2 4.44Å; W395-L400 HydrophobicContact CZ2-CD1 4.27Å; W395-L400 HydrophobicContact CZ2-CD2 3.97Å; G396-L400 VanDerWaalsContact CA-CD2 3.46Å; I398-L400 PolarHBondContact O-N 2.86Å; L400-S402 PolarHBondContact O-N 3.23Å; L400-M408 VanDerWaalsContact C-SD 3.58Å
401	V	95.8	Very high	94.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.			trans	-71.9	120.1	174	180	0	0	0	0	108.8	Q18 I41 K42 A45 M408	Q18-V401 WeakPolarHBondContact CB-O 3.31Å; Q18-V401 WeakPolarHBondContact CG-O 3.45Å; Q18-V401 PolarHBondContact NE2-O 3.05Å; Q18-V401 PolarHBondContact O-N 3.42Å; Q18-V401 VanDerWaalsContact O-N 3.08Å; I41-V401 HydrophobicContact CG1-CG2 4.19Å; I41-V401 HydrophobicContact CG2-CG1 3.89Å; K42-V401 HydrophobicContact CG-CB 4.29Å; K42-V401 HydrophobicContact CG-CG1 3.76Å; A45-V401 HydrophobicContact CB-CG2 4.16Å; V401-M408 HydrophobicContact CG2-CG 4.48Å; V401-M408 HydrophobicContact CG2-SD 3.91Å
402	S	92.4	Very high	94.6	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.042	11%	0.109	C	C	.	.			trans	-63	140.6	-178.6	56.3	0	0	0	0	112.9	L400 S404 S406 Q407	L400-S402 PolarHBondContact O-N 3.23Å; S402-S404 PolarHBondContact O-N 2.93Å; S402-S406 VanDerWaalsContact O-CA 3.24Å; S402-S406 WeakPolarHBondContact O-CA 3.47Å; S402-S406 PolarHBondContact O-N 3.38Å; S402-Q407 WeakPolarHBondContact CB-O 3.4Å; S402-Q407 PolarHBondContact N-O 3.05Å; S402-Q407 PolarHBondContact OG-N 3.04Å; S402-Q407 PolarHBondContact OG-O 3.13Å
403	A	87.4	Confident	94.5	Very high	40 Å²	40	19.3 Å²	19.3	33%	0.331	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-32.1	-176.6	0	0	0	0	0	113.7	Q18	Q18-A403 VanDerWaalsContact NE2-N 3.16Å
404	S	82.8	Confident	94.5	Very high	81 Å²	81	19.4 Å²	19.4	57%	0.566	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-33.1	-170.5	51.9	0	0	0	0	115	S402	S402-S404 PolarHBondContact O-N 2.93Å
405	H	83.9	Confident	94.5	Very high	103 Å²	103	19.3 Å²	19.3	48%	0.477	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	6	-174.6	-59.7	84	0	0	0	112.8	H38 Q407	H38-H405 PolarHBondContact CD2-O 3.49Å; H38-H405 VanDerWaalsContact CD2-O 3.27Å; H405-Q407 HydrophobicContact CB-CG 4.05Å; H405-Q407 PolarHBondContact O-N 3.14Å
406	S	87.4	Confident	94.5	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.063	11%	0.111	C	C	.	.			trans	50.2	45	-175.9	-61.4	0	0	0	0	112.7	I41 S402	I41-S406 WeakPolarHBondContact CG2-O 3.29Å; S402-S406 VanDerWaalsContact O-CA 3.24Å; S402-S406 WeakPolarHBondContact O-CA 3.47Å; S402-S406 PolarHBondContact O-N 3.38Å
407	Q	91	Very high	94.5	Very high	66 Å²	66	19.9 Å²	19.9	31%	0.308	11%	0.111	S	C	.	.			trans	-111	146.7	-179.2	-75.2	170.4	-13.8	0	0	111.6	S402 H405 D421	S402-Q407 WeakPolarHBondContact CB-O 3.4Å; S402-Q407 PolarHBondContact N-O 3.05Å; S402-Q407 PolarHBondContact OG-N 3.04Å; S402-Q407 PolarHBondContact OG-O 3.13Å; H405-Q407 HydrophobicContact CB-CG 4.05Å; H405-Q407 PolarHBondContact O-N 3.14Å; Q407-D421 WeakPolarHBondContact CA-OD1 3.23Å; Q407-D421 WeakPolarHBondContact CB-OD1 3.48Å
408	M	94.7	Very high	94.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-91.4	-23.7	168.4	-77.8	-62	-56.7	0	0	112.5	I41 I46 D399 L400 V401 K410 R411 V417 R419 D421	I41-M408 HydrophobicContact CD1-CG 3.91Å; I46-M408 HydrophobicContact CG2-CE 4.19Å; I46-M408 HydrophobicContact CG2-SD 4.22Å; D399-M408 HydrophobicContact CB-CE 3.95Å; L400-M408 VanDerWaalsContact C-SD 3.58Å; V401-M408 HydrophobicContact CG2-CG 4.48Å; V401-M408 HydrophobicContact CG2-SD 3.91Å; M408-K410 PolarHBondContact O-N 3.07Å; M408-R411 WeakPolarHBondContact O-CG 3.24Å; M408-V417 HydrophobicContact CE-CB 4.28Å; M408-R419 WeakPolarHBondContact CB-O 2.98Å; M408-R419 HydrophobicContact CE-CB 4.22Å; M408-R419 HydrophobicContact CG-CB 4.36Å; M408-R419 HydrophobicContact CG-CG 4.29Å; M408-D421 WeakPolarHBondContact CA-OD1 3.44Å; M408-D421 PolarHBondContact N-OD1 3.02Å
409	S	93.6	Very high	94.4	Very high	28 Å²	28	23.3 Å²	23.3	20%	0.196	13%	0.128	C	C	.	.	S	Bend	trans	-67.3	-21.3	-173.9	59.8	0	0	0	0	114.3	R411 D421	S409-R411 PolarHBondContact O-N 2.86Å; S409-D421 WeakPolarHBondContact CB-OD1 3.42Å; S409-D421 WeakPolarHBondContact CB-OD2 3.36Å; S409-D421 PolarHBondContact N-OD1 3.28Å; S409-D421 PolarHBondContact OG-OD1 3.19Å; S409-D421 PolarHBondContact OG-OD2 3.24Å
410	K	93.7	Very high	94.2	Very high	15 Å²	15	25.9 Å²	25.9	7%	0.065	14%	0.142	C	C	.	.	S	Bend	trans	-89.9	93.2	168.7	-168.8	-178.1	-173.6	-171.4	0	109.9	W320 M408 Y412	W320-K410 HydrophobicContact CD2-CD 4.37Å; W320-K410 HydrophobicContact CD2-CG 4.23Å; W320-K410 HydrophobicContact CG-CD 4.5Å; W320-K410 HydrophobicContact CH2-CB 4.08Å; W320-K410 HydrophobicContact CH2-CG 4.06Å; W320-K410 HydrophobicContact CZ2-CB 3.59Å; W320-K410 HydrophobicContact CZ2-CD 4.43Å; W320-K410 HydrophobicContact CZ2-CG 3.73Å; M408-K410 PolarHBondContact O-N 3.07Å; K410-Y412 HydrophobicContact CD-CE2 4.17Å; K410-Y412 VanDerWaalsContact CE-OH 3.27Å; K410-Y412 WeakPolarHBondContact CE-OH 3.23Å; K410-Y412 HydrophobicContact CG-CE2 4.03Å; K410-Y412 PolarHBondContact NZ-OH 3.14Å
411	R	97	Very high	94	Very high	14 Å²	14	28.7 Å²	28.7	5%	0.053	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-98.5	137.8	-169.9	-65.5	175.1	-175.8	-80.3	-4.6	112.2	G352 A353 D355 R368 D399 M408 S409 V417 R419	G352-R411 WeakPolarHBondContact CA-O 3.48Å; A353-R411 PolarHBondContact N-O 3.16Å; A353-R411 PolarHBondContact O-N 3.11Å; D355-R411 WeakPolarHBondContact OD2-CB 3.44Å; D355-R411 WeakPolarHBondContact OD2-CD 3.4Å; R368-R411 PolarHBondContact NH2-O 3.45Å; D399-R411 WeakPolarHBondContact OD1-CB 3.44Å; D399-R411 VanDerWaalsContact OD2-CD 3.26Å; D399-R411 WeakPolarHBondContact OD2-CD 3.36Å; D399-R411 WeakPolarHBondContact OD2-CG 3.39Å; D399-R411 IonicContact OD2-CZ 3.03Å; D399-R411 IonicContact OD2-NE 2.83Å; D399-R411 IonicContact OD2-NH1 3.68Å; D399-R411 PolarHBondContact OD2-NH1 2.84Å; M408-R411 WeakPolarHBondContact O-CG 3.24Å; S409-R411 PolarHBondContact O-N 2.86Å; R411-V417 PolarHBondContact NH1-O 2.87Å; R411-R419 PolarHBondContact NH2-O 3.48Å
412	Y	98.1	Very high	93.8	Very high	21 Å²	21	34.9 Å²	34.9	8%	0.082	19%	0.19	C	C	.	.			trans	-113.7	-24.2	-179	-75.3	-98	0	0	0	113.1	Y287 R368 W395 G396 K410	Y287-Y412 AromaticContact CE1-CE1 3.93Å; Y287-Y412 HydrophobicContact CE1-CE1 3.93Å; R368-Y412 VanDerWaalsContact CD-O 3.29Å; R368-Y412 WeakPolarHBondContact CD-O 3.26Å; R368-Y412 PolarHBondContact NE-O 2.94Å; R368-Y412 VanDerWaalsContact NE-O 3.13Å; W395-Y412 AromaticContact CD1-CD1 3.64Å; W395-Y412 AromaticContact CD1-CE1 3.83Å; W395-Y412 AromaticContact CD1-CG 3.8Å; G396-Y412 CarbonylContact O-C 3.59Å; K410-Y412 HydrophobicContact CD-CE2 4.17Å; K410-Y412 VanDerWaalsContact CE-OH 3.27Å; K410-Y412 WeakPolarHBondContact CE-OH 3.23Å; K410-Y412 HydrophobicContact CG-CE2 4.03Å; K410-Y412 PolarHBondContact NZ-OH 3.14Å
413	G	98.4	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.			trans	-72.5	164.9	-161.4	0	0	0	0	0	115.9	G396 P397 D399 I415 K432	G396-G413 WeakPolarHBondContact O-CA 3.3Å; G396-G413 PolarHBondContact O-N 2.86Å; G396-G413 VanDerWaalsContact O-N 3.13Å; P397-G413 CarbonylContact O-C 3.54Å; P397-G413 WeakPolarHBondContact O-CA 3.24Å; D399-G413 PolarHBondContact OD1-N 3.16Å; G413-I415 VanDerWaalsContact C-N 3.31Å; G413-K432 WeakPolarHBondContact O-CD 3.35Å; G413-K432 WeakPolarHBondContact O-CE 3.5Å; G413-K432 PolarHBondContact O-NZ 2.99Å
414	F	98.9	Very high	94.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	22%	0.216	C	C	.	.	S	Bend	trans	-80.9	-21.3	158.2	-53	-66	0	0	0	111	M62 L372 S394 P397 K432 S434 F435 Y438	M62-F414 HydrophobicContact CE-CB 4.37Å; M62-F414 HydrophobicContact CE-CD2 4.21Å; M62-F414 HydrophobicContact SD-CB 3.76Å; M62-F414 HydrophobicContact SD-CD2 3.87Å; M62-F414 HydrophobicContact SD-CG 3.97Å; L372-F414 HydrophobicContact CD1-CE1 3.46Å; L372-F414 VanDerWaalsContact CD1-CE1 3.46Å; L372-F414 HydrophobicContact CD1-CZ 3.77Å; S394-F414 WeakPolarHBondContact OG-CE2 2.92Å; P397-F414 HydrophobicContact CB-CD2 4.01Å; P397-F414 HydrophobicContact CB-CE2 4.33Å; P397-F414 PolarHBondContact O-N 3.25Å; F414-K432 WeakPolarHBondContact O-CB 3.42Å; F414-K432 WeakPolarHBondContact O-CG 3.47Å; F414-K432 PolarHBondContact O-N 3.45Å; F414-S434 WeakPolarHBondContact CD1-OG 3.41Å; F414-F435 HydrophobicContact CB-CB 4.25Å; F414-F435 HydrophobicContact CB-CD2 4.37Å; F414-Y438 AromaticContact CD2-CD1 3.98Å; F414-Y438 HydrophobicContact CD2-CD1 3.98Å; F414-Y438 HydrophobicContact CE1-CD1 4.11Å; F414-Y438 AromaticContact CE1-CG 3.9Å; F414-Y438 HydrophobicContact CE1-CG 3.9Å; F414-Y438 AromaticContact CE2-CD1 3.32Å; F414-Y438 HydrophobicContact CE2-CD1 3.32Å; F414-Y438 AromaticContact CE2-CE1 3.58Å; F414-Y438 HydrophobicContact CE2-CE1 3.58Å; F414-Y438 AromaticContact CE2-CG 3.96Å; F414-Y438 HydrophobicContact CE2-CG 3.96Å; F414-Y438 AromaticContact CZ-CD1 3.42Å; F414-Y438 HydrophobicContact CZ-CD1 3.42Å; F414-Y438 VanDerWaalsContact CZ-CD1 3.42Å; F414-Y438 HydrophobicContact CZ-CD2 4.06Å; F414-Y438 AromaticContact CZ-CE1 3.81Å; F414-Y438 HydrophobicContact CZ-CE1 3.81Å; F414-Y438 HydrophobicContact CZ-CE2 4.44Å; F414-Y438 AromaticContact CZ-CG 3.55Å; F414-Y438 HydrophobicContact CZ-CG 3.55Å
415	I	98.9	Very high	94.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.4	179.1	-56.5	157.6	0	0	0	107.4	L58 F59 M62 P397 I398 D399 G413 R429 T430 F435	L58-I415 HydrophobicContact CB-CD1 3.61Å; L58-I415 HydrophobicContact CB-CG1 4.46Å; L58-I415 HydrophobicContact CD1-CD1 4.04Å; L58-I415 HydrophobicContact CD1-CG1 4.43Å; L58-I415 HydrophobicContact CD1-CG2 3.99Å; L58-I415 HydrophobicContact CG-CD1 4.43Å; F59-I415 HydrophobicContact CD1-CD1 3.98Å; F59-I415 HydrophobicContact CE1-CD1 3.75Å; M62-I415 HydrophobicContact CE-CD1 4.04Å; M62-I415 HydrophobicContact CE-CG1 4.49Å; P397-I415 PolarHBondContact O-N 3.27Å; I398-I415 HydrophobicContact CB-CB 4.18Å; I398-I415 HydrophobicContact CB-CD1 4.33Å; I398-I415 HydrophobicContact CD1-CB 4.45Å; I398-I415 HydrophobicContact CD1-CG2 4.02Å; I398-I415 HydrophobicContact CG1-CB 3.99Å; I398-I415 HydrophobicContact CG1-CG2 3.96Å; D399-I415 PolarHBondContact N-O 2.77Å; G413-I415 VanDerWaalsContact C-N 3.31Å; I415-R429 HydrophobicContact CG2-CB 3.68Å; I415-R429 HydrophobicContact CG2-CG 3.72Å; I415-T430 CarbonylContact C-O 3.56Å; I415-F435 HydrophobicContact CD1-CE2 4.32Å; I415-F435 HydrophobicContact CG1-CD2 3.84Å; I415-F435 HydrophobicContact CG1-CE2 3.99Å
416	Y	98.7	Very high	95.4	Very high	29 Å²	29	36.9 Å²	36.9	11%	0.114	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	136.7	172.6	-179	-91.2	0	0	0	109.7	D355 V357 I363 D399 D418 R429 T430 K432	D355-Y416 HydrophobicContact CB-CD2 4.35Å; D355-Y416 HydrophobicContact CB-CE2 4.44Å; V357-Y416 HydrophobicContact CG2-CE1 4.07Å; V357-Y416 HydrophobicContact CG2-CE2 4.04Å; I363-Y416 HydrophobicContact CD1-CD2 4.49Å; I363-Y416 HydrophobicContact CD1-CG 4.1Å; I363-Y416 HydrophobicContact CG1-CD2 4.31Å; I363-Y416 HydrophobicContact CG1-CG 4.42Å; D399-Y416 WeakPolarHBondContact OD2-CA 3.42Å; Y416-D418 HydrophobicContact CE1-CB 4.1Å; Y416-R429 CarbonylContact O-C 3.4Å; Y416-R429 VanDerWaalsContact O-CA 3.3Å; Y416-R429 WeakPolarHBondContact O-CA 3.35Å; Y416-T430 WeakPolarHBondContact CB-O 3.38Å; Y416-T430 PolarHBondContact N-O 3.21Å; Y416-T430 PolarHBondContact O-N 3.41Å; Y416-K432 VanDerWaalsContact CA-CE 3.45Å; Y416-K432 VanDerWaalsContact N-CE 3.34Å
417	V	98.6	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.2	170.1	-179.9	0	0	0	0	108.8	I46 I398 D399 M408 R411 R419 L427 T428 R429	I46-V417 HydrophobicContact CB-CG1 4.15Å; I46-V417 HydrophobicContact CB-CG2 4.49Å; I46-V417 HydrophobicContact CD1-CG2 4.38Å; I46-V417 HydrophobicContact CG2-CB 4.32Å; I46-V417 HydrophobicContact CG2-CG1 3.96Å; I46-V417 HydrophobicContact CG2-CG2 4.29Å; I398-V417 HydrophobicContact CD1-CG2 3.85Å; I398-V417 HydrophobicContact CG1-CG2 3.48Å; I398-V417 VanDerWaalsContact CG1-CG2 3.48Å; D399-V417 HydrophobicContact CB-CB 4.11Å; D399-V417 HydrophobicContact CB-CG2 4.11Å; D399-V417 PolarHBondContact OD2-N 3.42Å; M408-V417 HydrophobicContact CE-CB 4.28Å; R411-V417 PolarHBondContact NH1-O 2.87Å; V417-R419 HydrophobicContact CG1-CB 4.35Å; V417-R419 PolarHBondContact O-N 2.97Å; V417-L427 HydrophobicContact CG1-CD2 4.25Å; V417-T428 WeakPolarHBondContact CA-O 3.47Å; V417-R429 HydrophobicContact CG2-CG 4.36Å
418	D	97.7	Very high	96.2	Very high	58 Å²	58	38 Å²	38	31%	0.31	22%	0.219	S	C	.	.			trans	-70.6	81	175.8	-179.2	37.3	0	0	0	111	Y416 G425 S426 L427 T428	Y416-D418 HydrophobicContact CE1-CB 4.1Å; D418-G425 CarbonylContact O-C 3.56Å; D418-G425 VanDerWaalsContact O-C 3.26Å; D418-G425 VanDerWaalsContact O-CA 3.29Å; D418-G425 WeakPolarHBondContact O-CA 3.49Å; D418-S426 PolarHBondContact O-N 3.12Å; D418-S426 VanDerWaalsContact OD2-CB 3.25Å; D418-S426 WeakPolarHBondContact OD2-CB 3.37Å; D418-S426 PolarHBondContact OD2-N 3.25Å; D418-S426 PolarHBondContact OD2-OG 3.06Å; D418-L427 WeakPolarHBondContact O-CA 3.25Å; D418-L427 PolarHBondContact O-N 2.98Å; D418-T428 PolarHBondContact N-O 3.12Å
419	R	96.2	Very high	96.4	Very high	15 Å²	15	38.7 Å²	38.7	6%	0.057	22%	0.222	C	C	.	.			trans	-152.9	136.4	173.4	-166.6	-175	-175.1	137.8	5.4	109.9	I41 V44 A45 M408 R411 V417 E424 L427	I41-R419 PolarHBondContact O-NH2 3.39Å; V44-R419 VanDerWaalsContact CB-NH1 3.28Å; A45-R419 VanDerWaalsContact C-NH1 3.27Å; A45-R419 WeakPolarHBondContact O-CD 3.22Å; A45-R419 VanDerWaalsContact O-CZ 3.28Å; A45-R419 PolarHBondContact O-NE 3.48Å; A45-R419 PolarHBondContact O-NH1 3.09Å; M408-R419 WeakPolarHBondContact CB-O 2.98Å; M408-R419 HydrophobicContact CE-CB 4.22Å; M408-R419 HydrophobicContact CG-CB 4.36Å; M408-R419 HydrophobicContact CG-CG 4.29Å; R411-R419 PolarHBondContact NH2-O 3.48Å; V417-R419 HydrophobicContact CG1-CB 4.35Å; V417-R419 PolarHBondContact O-N 2.97Å; R419-E424 CarbonylContact C-O 3.58Å; R419-E424 VanDerWaalsContact CA-O 3.22Å; R419-E424 WeakPolarHBondContact CA-O 3.48Å; R419-L427 HydrophobicContact CB-CD2 4.09Å; R419-L427 HydrophobicContact CG-CD2 4.22Å
420	D	94.9	Very high	96.6	Very high	54 Å²	54	39.8 Å²	39.8	29%	0.289	23%	0.227	S	C	.	.			trans	-103.7	-175.7	178.8	79.4	-0.1	0	0	0	113.4	N422 G423 E424	D420-N422 PolarHBondContact O-N 2.98Å; D420-N422 WeakPolarHBondContact OD1-CA 3.13Å; D420-N422 WeakPolarHBondContact OD1-CB 3.22Å; D420-N422 PolarHBondContact OD1-N 2.87Å; D420-G423 PolarHBondContact O-N 2.71Å; D420-G423 VanDerWaalsContact O-N 3.15Å; D420-G423 PolarHBondContact OD1-N 3.05Å; D420-G423 VanDerWaalsContact OD1-N 3.08Å; D420-E424 PolarHBondContact N-O 3.46Å; D420-E424 PolarHBondContact OD1-N 3Å
421	D	93.7	Very high	96.9	Very high	61 Å²	61	44.6 Å²	44.6	33%	0.326	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.1	-179	-68.6	-18.6	0	0	0	113.4	Q407 M408 S409 G423	Q407-D421 WeakPolarHBondContact CA-OD1 3.23Å; Q407-D421 WeakPolarHBondContact CB-OD1 3.48Å; M408-D421 WeakPolarHBondContact CA-OD1 3.44Å; M408-D421 PolarHBondContact N-OD1 3.02Å; S409-D421 WeakPolarHBondContact CB-OD1 3.42Å; S409-D421 WeakPolarHBondContact CB-OD2 3.36Å; S409-D421 PolarHBondContact N-OD1 3.28Å; S409-D421 PolarHBondContact OG-OD1 3.19Å; S409-D421 PolarHBondContact OG-OD2 3.24Å; D421-G423 VanDerWaalsContact C-N 3.31Å
422	N	92.1	Very high	97	Very high	131 Å²	131	44.1 Å²	44.1	70%	0.701	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.8	174.4	-56.1	-52.3	0	0	0	111.9	D420 E424	D420-N422 PolarHBondContact O-N 2.98Å; D420-N422 WeakPolarHBondContact OD1-CA 3.13Å; D420-N422 WeakPolarHBondContact OD1-CB 3.22Å; D420-N422 PolarHBondContact OD1-N 2.87Å; N422-E424 VanDerWaalsContact C-N 3.31Å; N422-E424 HydrophobicContact CB-CG 4.24Å
423	G	92.8	Very high	97	Very high	27 Å²	27	47.2 Å²	47.2	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	78.5	12.7	-175.7	0	0	0	0	0	114.3	D420 D421	D420-G423 PolarHBondContact O-N 2.71Å; D420-G423 VanDerWaalsContact O-N 3.15Å; D420-G423 PolarHBondContact OD1-N 3.05Å; D420-G423 VanDerWaalsContact OD1-N 3.08Å; D421-G423 VanDerWaalsContact C-N 3.31Å
424	E	94.2	Very high	97	Very high	136 Å²	136	47.2 Å²	47.2	64%	0.636	26%	0.257	S	S	*	.			trans	-87.1	147.5	176.5	-58.9	-173.5	158.6	0	0	110.8	R419 D420 N422	R419-E424 CarbonylContact C-O 3.58Å; R419-E424 VanDerWaalsContact CA-O 3.22Å; R419-E424 WeakPolarHBondContact CA-O 3.48Å; D420-E424 PolarHBondContact N-O 3.46Å; D420-E424 PolarHBondContact OD1-N 3Å; N422-E424 VanDerWaalsContact C-N 3.31Å; N422-E424 HydrophobicContact CB-CG 4.24Å
425	G	95.1	Very high	97	Very high	46 Å²	46	47.6 Å²	47.6	47%	0.474	26%	0.259	S	S	.	.	S	Bend	trans	138.8	164.1	178.3	0	0	0	0	0	112.8	D418 L427	D418-G425 CarbonylContact O-C 3.56Å; D418-G425 VanDerWaalsContact O-C 3.26Å; D418-G425 VanDerWaalsContact O-CA 3.29Å; D418-G425 WeakPolarHBondContact O-CA 3.49Å; G425-L427 VanDerWaalsContact C-N 3.27Å; G425-L427 PolarHBondContact O-N 2.94Å
426	S	97.2	Very high	97	Very high	63 Å²	63	49.7 Å²	49.7	44%	0.441	28%	0.281	S	S	.	.			trans	-78.1	-8.3	-177	66.2	0	0	0	0	114.5	D418 T428	D418-S426 PolarHBondContact O-N 3.12Å; D418-S426 VanDerWaalsContact OD2-CB 3.25Å; D418-S426 WeakPolarHBondContact OD2-CB 3.37Å; D418-S426 PolarHBondContact OD2-N 3.25Å; D418-S426 PolarHBondContact OD2-OG 3.06Å; S426-T428 PolarHBondContact O-N 3.42Å; S426-T428 VanDerWaalsContact OG-CB 3.3Å; S426-T428 WeakPolarHBondContact OG-CB 3.49Å; S426-T428 PolarHBondContact OG-N 3.15Å; S426-T428 PolarHBondContact OG-OG1 2.93Å
427	L	97.8	Very high	97	Very high	27 Å²	27	50.4 Å²	50.4	14%	0.141	28%	0.283	C	S	.	.			trans	59.3	17.1	-168	-62.3	167.9	0	0	0	113.4	V44 D47 V417 D418 R419 G425 R429	V44-L427 HydrophobicContact CG1-CD1 4.23Å; D47-L427 HydrophobicContact CB-CD1 4.05Å; V417-L427 HydrophobicContact CG1-CD2 4.25Å; D418-L427 WeakPolarHBondContact O-CA 3.25Å; D418-L427 PolarHBondContact O-N 2.98Å; R419-L427 HydrophobicContact CB-CD2 4.09Å; R419-L427 HydrophobicContact CG-CD2 4.22Å; G425-L427 VanDerWaalsContact C-N 3.27Å; G425-L427 PolarHBondContact O-N 2.94Å; L427-R429 WeakPolarHBondContact O-CD 3.2Å; L427-R429 PolarHBondContact O-NH1 2.84Å
428	T	98.2	Very high	97	Very high	70 Å²	70	50.4 Å²	50.4	43%	0.429	28%	0.283	S	S	.	.			trans	-67.8	141.9	178	-58.7	0	0	0	0	111	V417 D418 S426	V417-T428 WeakPolarHBondContact CA-O 3.47Å; D418-T428 PolarHBondContact N-O 3.12Å; S426-T428 PolarHBondContact O-N 3.42Å; S426-T428 VanDerWaalsContact OG-CB 3.3Å; S426-T428 WeakPolarHBondContact OG-CB 3.49Å; S426-T428 PolarHBondContact OG-N 3.15Å; S426-T428 PolarHBondContact OG-OG1 2.93Å
429	R	98.5	Very high	97.1	Very high	15 Å²	15	48.7 Å²	48.7	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.2	175.4	-78.9	66.1	163.2	155.7	3.5	111	I46 R51 D55 L58 I398 I415 Y416 V417 L427	I46-R429 VanDerWaalsContact O-CZ 3.28Å; I46-R429 PolarHBondContact O-NH1 2.71Å; I46-R429 PolarHBondContact O-NH2 3.28Å; R51-R429 VanDerWaalsContact CD-CZ 3.48Å; D55-R429 WeakPolarHBondContact OD1-CG 3.47Å; D55-R429 IonicContact OD1-CZ 3.67Å; D55-R429 IonicContact OD1-NE 2.76Å; D55-R429 PolarHBondContact OD1-NE 2.99Å; D55-R429 IonicContact OD1-NH2 3.32Å; D55-R429 IonicContact OD2-CZ 3.85Å; D55-R429 IonicContact OD2-NE 2.75Å; D55-R429 IonicContact OD2-NH2 3.63Å; D55-R429 PolarHBondContact OD2-NH2 2.84Å; L58-R429 HydrophobicContact CD1-CB 3.8Å; L58-R429 HydrophobicContact CD1-CG 4.11Å; I398-R429 HydrophobicContact CD1-CG 3.73Å; I415-R429 HydrophobicContact CG2-CB 3.68Å; I415-R429 HydrophobicContact CG2-CG 3.72Å; Y416-R429 CarbonylContact O-C 3.4Å; Y416-R429 VanDerWaalsContact O-CA 3.3Å; Y416-R429 WeakPolarHBondContact O-CA 3.35Å; V417-R429 HydrophobicContact CG2-CG 4.36Å; L427-R429 WeakPolarHBondContact O-CD 3.2Å; L427-R429 PolarHBondContact O-NH1 2.84Å
430	T	98.5	Very high	97.2	Very high	51 Å²	51	52 Å²	52	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.7	177.2	-57.3	0	0	0	0	110.7	I363 I415 Y416 K432	I363-T430 HydrophobicContact CD1-CG2 3.91Å; I415-T430 CarbonylContact C-O 3.56Å; Y416-T430 WeakPolarHBondContact CB-O 3.38Å; Y416-T430 PolarHBondContact N-O 3.21Å; Y416-T430 PolarHBondContact O-N 3.41Å; T430-K432 PolarHBondContact O-N 3.44Å
431	R	98.7	Very high	97.4	Very high	116 Å²	116	49.4 Å²	49.4	44%	0.438	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.2	176.6	-62.4	171.2	-173.9	68.2	-0.3	109.4	L58 E61 F435	L58-R431 HydrophobicContact CD2-CG 4.46Å; L58-R431 VanDerWaalsContact CD2-CZ 3.46Å; L58-R431 VanDerWaalsContact CD2-NH2 3.29Å; E61-R431 IonicContact OE1-CZ 2.82Å; E61-R431 IonicContact OE1-NE 3.78Å; E61-R431 PolarHBondContact OE1-NE 2.82Å; E61-R431 IonicContact OE1-NH2 3.53Å; E61-R431 IonicContact OE2-CZ 3.22Å; E61-R431 IonicContact OE2-NE 2.74Å; E61-R431 PolarHBondContact OE2-NE 3.12Å; E61-R431 IonicContact OE2-NH2 2.65Å; E61-R431 PolarHBondContact OE2-NH2 2.96Å; R431-F435 HydrophobicContact CB-CB 4.03Å; R431-F435 HydrophobicContact CB-CD1 4.19Å; R431-F435 HydrophobicContact CB-CD2 4.19Å; R431-F435 HydrophobicContact CB-CG 3.89Å; R431-F435 HydrophobicContact CG-CD1 3.97Å; R431-F435 HydrophobicContact CG-CD2 3.85Å; R431-F435 HydrophobicContact CG-CE1 4.06Å; R431-F435 HydrophobicContact CG-CE2 3.92Å; R431-F435 HydrophobicContact CG-CG 3.88Å; R431-F435 HydrophobicContact CG-CZ 4.02Å
432	K	98.8	Very high	97.6	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	27%	0.267	C	S	.	.			trans	-77.3	169.1	169.8	-52.2	-176.2	-161.3	170.8	0	109.8	D355 I363 D399 G413 F414 Y416 T430 S434 F435	D355-K432 VanDerWaalsContact OD2-CE 3.23Å; D355-K432 WeakPolarHBondContact OD2-CE 3.46Å; D355-K432 IonicContact OD2-NZ 3.67Å; D355-K432 PolarHBondContact OD2-NZ 2.73Å; I363-K432 HydrophobicContact CB-CB 4.12Å; I363-K432 HydrophobicContact CB-CD 4.47Å; I363-K432 HydrophobicContact CB-CG 3.92Å; I363-K432 HydrophobicContact CD1-CG 4.43Å; I363-K432 HydrophobicContact CG1-CG 4.41Å; I363-K432 HydrophobicContact CG2-CB 4.31Å; I363-K432 HydrophobicContact CG2-CD 4.02Å; I363-K432 HydrophobicContact CG2-CG 4.02Å; D399-K432 IonicContact OD1-NZ 2.65Å; D399-K432 PolarHBondContact OD1-NZ 3.37Å; D399-K432 IonicContact OD2-NZ 3.29Å; D399-K432 PolarHBondContact OD2-NZ 3.13Å; G413-K432 WeakPolarHBondContact O-CD 3.35Å; G413-K432 WeakPolarHBondContact O-CE 3.5Å; G413-K432 PolarHBondContact O-NZ 2.99Å; F414-K432 WeakPolarHBondContact O-CB 3.42Å; F414-K432 WeakPolarHBondContact O-CG 3.47Å; F414-K432 PolarHBondContact O-N 3.45Å; Y416-K432 VanDerWaalsContact CA-CE 3.45Å; Y416-K432 VanDerWaalsContact N-CE 3.34Å; T430-K432 PolarHBondContact O-N 3.44Å; K432-S434 PolarHBondContact O-N 2.9Å; K432-F435 WeakPolarHBondContact O-CB 3.46Å; K432-F435 PolarHBondContact O-N 3.02Å; K432-F435 VanDerWaalsContact O-N 3.08Å
433	K	98.8	Very high	97.9	Very high	85 Å²	85	48.8 Å²	48.8	37%	0.37	27%	0.268	S	S	.	.	H	α-helix	trans	-57.4	-38.9	175.1	-175.4	-172.6	-167.7	165.2	0	112.1	I363 D365 D366 I369 F435 G436 W437	I363-K433 WeakPolarHBondContact O-CB 3.41Å; I363-K433 PolarHBondContact O-N 3.17Å; D365-K433 WeakPolarHBondContact OD1-CB 3.26Å; D365-K433 PolarHBondContact OD1-N 3.21Å; D366-K433 VanDerWaalsContact OD1-CE 3.26Å; D366-K433 WeakPolarHBondContact OD1-CE 3.22Å; D366-K433 IonicContact OD1-NZ 2.78Å; D366-K433 PolarHBondContact OD1-NZ 3.2Å; D366-K433 IonicContact OD2-NZ 3.55Å; D366-K433 PolarHBondContact OD2-NZ 3.24Å; I369-K433 HydrophobicContact CD1-CB 4.43Å; I369-K433 HydrophobicContact CD1-CD 3.98Å; I369-K433 HydrophobicContact CD1-CG 3.91Å; K433-F435 PolarHBondContact O-N 3.16Å; K433-G436 PolarHBondContact O-N 2.99Å; K433-W437 PolarHBondContact O-N 2.6Å
434	S	98.8	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-22.8	177.3	61.3	0	0	0	0	114.3	D365 F414 K432 W437 Y438	D365-S434 VanDerWaalsContact CG-OG 3.32Å; D365-S434 WeakPolarHBondContact OD1-CB 3.3Å; D365-S434 PolarHBondContact OD1-N 3.02Å; D365-S434 PolarHBondContact OD1-OG 3.49Å; D365-S434 WeakPolarHBondContact OD2-CB 3.38Å; D365-S434 PolarHBondContact OD2-OG 3.13Å; F414-S434 WeakPolarHBondContact CD1-OG 3.41Å; K432-S434 PolarHBondContact O-N 2.9Å; S434-W437 PolarHBondContact O-N 3.15Å; S434-Y438 WeakPolarHBondContact O-CB 3.47Å; S434-Y438 PolarHBondContact O-N 3.48Å
435	F	98.9	Very high	98.4	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.044	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-54.8	173.3	-175.7	-81.9	0	0	0	111.6	L58 E61 M62 F414 I415 R431 K432 K433 W437 Y438 A439	L58-F435 HydrophobicContact CB-CE2 4.33Å; L58-F435 HydrophobicContact CD2-CE2 4.4Å; L58-F435 HydrophobicContact CD2-CZ 4.48Å; L58-F435 WeakPolarHBondContact O-CZ 3.44Å; E61-F435 HydrophobicContact CB-CZ 3.99Å; E61-F435 HydrophobicContact CG-CE1 3.92Å; E61-F435 HydrophobicContact CG-CZ 3.85Å; E61-F435 VanDerWaalsContact OE1-CE1 3.31Å; E61-F435 WeakPolarHBondContact OE1-CE1 3.35Å; M62-F435 HydrophobicContact CE-CD2 4.11Å; M62-F435 HydrophobicContact CE-CE2 3.96Å; M62-F435 HydrophobicContact CG-CD1 4.06Å; M62-F435 HydrophobicContact CG-CD2 3.59Å; M62-F435 HydrophobicContact CG-CE1 3.84Å; M62-F435 HydrophobicContact CG-CE2 3.36Å; M62-F435 HydrophobicContact CG-CG 3.94Å; M62-F435 HydrophobicContact CG-CZ 3.49Å; M62-F435 VanDerWaalsContact CG-CZ 3.49Å; M62-F435 HydrophobicContact SD-CD2 3.48Å; M62-F435 WeakPolarHBondContact SD-CD2 3.31Å; M62-F435 HydrophobicContact SD-CE2 3.74Å; M62-F435 HydrophobicContact SD-CG 4.02Å; M62-F435 HydrophobicContact SD-CZ 4.46Å; F414-F435 HydrophobicContact CB-CB 4.25Å; F414-F435 HydrophobicContact CB-CD2 4.37Å; I415-F435 HydrophobicContact CD1-CE2 4.32Å; I415-F435 HydrophobicContact CG1-CD2 3.84Å; I415-F435 HydrophobicContact CG1-CE2 3.99Å; R431-F435 HydrophobicContact CB-CB 4.03Å; R431-F435 HydrophobicContact CB-CD1 4.19Å; R431-F435 HydrophobicContact CB-CD2 4.19Å; R431-F435 HydrophobicContact CB-CG 3.89Å; R431-F435 HydrophobicContact CG-CD1 3.97Å; R431-F435 HydrophobicContact CG-CD2 3.85Å; R431-F435 HydrophobicContact CG-CE1 4.06Å; R431-F435 HydrophobicContact CG-CE2 3.92Å; R431-F435 HydrophobicContact CG-CG 3.88Å; R431-F435 HydrophobicContact CG-CZ 4.02Å; K432-F435 WeakPolarHBondContact O-CB 3.46Å; K432-F435 PolarHBondContact O-N 3.02Å; K432-F435 VanDerWaalsContact O-N 3.08Å; K433-F435 PolarHBondContact O-N 3.16Å; F435-W437 VanDerWaalsContact C-N 3.31Å; F435-W437 PolarHBondContact O-N 3.26Å; F435-Y438 PolarHBondContact O-N 3.11Å; F435-A439 WeakPolarHBondContact O-CB 3.42Å; F435-A439 PolarHBondContact O-N 3.36Å
436	G	98.7	Very high	98.5	Very high	45 Å²	45	44.1 Å²	44.1	46%	0.464	23%	0.226	S	C	.	.	H	α-helix	trans	-66.8	-34.7	179.8	0	0	0	0	0	112.3	K433 E440	K433-G436 PolarHBondContact O-N 2.99Å; G436-E440 PolarHBondContact O-N 3.25Å; G436-E440 VanDerWaalsContact O-N 3.16Å
437	W	98.8	Very high	98.5	Very high	43 Å²	43	46.3 Å²	46.3	16%	0.163	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-49.3	174.9	170.5	81.9	0	0	0	111.9	I369 L372 N373 L376 K433 S434 F435 E440 V441 L449	I369-W437 HydrophobicContact CB-CD2 4.39Å; I369-W437 HydrophobicContact CB-CG 4.48Å; I369-W437 HydrophobicContact CD1-CB 3.92Å; I369-W437 HydrophobicContact CD1-CG 4.23Å; I369-W437 HydrophobicContact CG1-CB 4.07Å; I369-W437 HydrophobicContact CG1-CD2 4.13Å; I369-W437 HydrophobicContact CG1-CE3 4.31Å; I369-W437 HydrophobicContact CG1-CG 4.01Å; I369-W437 HydrophobicContact CG2-CD2 3.83Å; I369-W437 HydrophobicContact CG2-CG 3.78Å; L372-W437 HydrophobicContact CB-CH2 3.46Å; L372-W437 VanDerWaalsContact CB-CH2 3.46Å; L372-W437 HydrophobicContact CB-CZ3 3.65Å; L372-W437 HydrophobicContact CD1-CZ3 3.87Å; L372-W437 HydrophobicContact CG-CZ3 4.44Å; N373-W437 HydrophobicContact CB-CZ2 3.78Å; L376-W437 HydrophobicContact CD1-CH2 4.06Å; K433-W437 PolarHBondContact O-N 2.6Å; S434-W437 PolarHBondContact O-N 3.15Å; F435-W437 VanDerWaalsContact C-N 3.31Å; F435-W437 PolarHBondContact O-N 3.26Å; W437-E440 PolarHBondContact O-N 3.31Å; W437-V441 HydrophobicContact CD2-CG2 4.13Å; W437-V441 HydrophobicContact CH2-CG2 4.12Å; W437-V441 HydrophobicContact CZ2-CG2 3.67Å; W437-V441 WeakPolarHBondContact O-CG2 3.27Å; W437-V441 PolarHBondContact O-N 3.06Å; W437-L449 HydrophobicContact CH2-CD2 4.49Å; W437-L449 HydrophobicContact CZ2-CD2 3.88Å
438	Y	98.8	Very high	98.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-36.8	-177.6	-166.1	-129.9	0	0	0	111.4	W10 G11 M62 F64 L376 Y392 F414 S434 F435 E440 V441 I442	W10-Y438 HydrophobicContact CE3-CE2 4.28Å; W10-Y438 HydrophobicContact CZ3-CE2 4.47Å; G11-Y438 PolarHBondContact O-OH 2.7Å; M62-Y438 HydrophobicContact SD-CD1 4.41Å; F64-Y438 HydrophobicContact CD1-CE1 4.45Å; F64-Y438 AromaticContact CE1-CD1 3.84Å; F64-Y438 HydrophobicContact CE1-CD1 3.84Å; F64-Y438 AromaticContact CE1-CE1 3.58Å; F64-Y438 HydrophobicContact CE1-CE1 3.58Å; F64-Y438 HydrophobicContact CZ-CE1 4.11Å; L376-Y438 HydrophobicContact CD1-CE2 4.22Å; Y392-Y438 WeakPolarHBondContact CD1-OH 3.46Å; Y392-Y438 HydrophobicContact CE1-CE2 4.43Å; F414-Y438 AromaticContact CD2-CD1 3.98Å; F414-Y438 HydrophobicContact CD2-CD1 3.98Å; F414-Y438 HydrophobicContact CE1-CD1 4.11Å; F414-Y438 AromaticContact CE1-CG 3.9Å; F414-Y438 HydrophobicContact CE1-CG 3.9Å; F414-Y438 AromaticContact CE2-CD1 3.32Å; F414-Y438 HydrophobicContact CE2-CD1 3.32Å; F414-Y438 AromaticContact CE2-CE1 3.58Å; F414-Y438 HydrophobicContact CE2-CE1 3.58Å; F414-Y438 AromaticContact CE2-CG 3.96Å; F414-Y438 HydrophobicContact CE2-CG 3.96Å; F414-Y438 AromaticContact CZ-CD1 3.42Å; F414-Y438 HydrophobicContact CZ-CD1 3.42Å; F414-Y438 VanDerWaalsContact CZ-CD1 3.42Å; F414-Y438 HydrophobicContact CZ-CD2 4.06Å; F414-Y438 AromaticContact CZ-CE1 3.81Å; F414-Y438 HydrophobicContact CZ-CE1 3.81Å; F414-Y438 HydrophobicContact CZ-CE2 4.44Å; F414-Y438 AromaticContact CZ-CG 3.55Å; F414-Y438 HydrophobicContact CZ-CG 3.55Å; S434-Y438 WeakPolarHBondContact O-CB 3.47Å; S434-Y438 PolarHBondContact O-N 3.48Å; F435-Y438 PolarHBondContact O-N 3.11Å; Y438-E440 VanDerWaalsContact C-N 3.29Å; Y438-E440 PolarHBondContact O-N 3.47Å; Y438-V441 HydrophobicContact CD2-CB 4.34Å; Y438-V441 HydrophobicContact CD2-CG1 4.48Å; Y438-V441 WeakPolarHBondContact O-CB 3.29Å; Y438-V441 PolarHBondContact O-N 3Å; Y438-V441 VanDerWaalsContact O-N 3.12Å; Y438-I442 HydrophobicContact CD1-CD1 3.8Å; Y438-I442 HydrophobicContact CE1-CD1 3.65Å; Y438-I442 HydrophobicContact CE1-CG1 4.38Å; Y438-I442 HydrophobicContact CE2-CG1 4.41Å; Y438-I442 HydrophobicContact CG-CD1 4.34Å; Y438-I442 WeakPolarHBondContact O-CG1 3.38Å; Y438-I442 PolarHBondContact O-N 3.34Å
439	A	98.8	Very high	98.5	Very high	22 Å²	22	43.8 Å²	43.8	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-55.4	-43.6	171.2	0	0	0	0	0	112.3	M62 F435 I442 K443	M62-A439 HydrophobicContact CB-CB 4.39Å; M62-A439 HydrophobicContact CG-CB 4.49Å; M62-A439 WeakPolarHBondContact O-CA 3.32Å; F435-A439 WeakPolarHBondContact O-CB 3.42Å; F435-A439 PolarHBondContact O-N 3.36Å; A439-I442 PolarHBondContact O-N 3.48Å; A439-K443 VanDerWaalsContact O-CB 3.24Å; A439-K443 WeakPolarHBondContact O-CB 3.42Å; A439-K443 PolarHBondContact O-N 3.15Å
440	E	98.7	Very high	98.4	Very high	84 Å²	84	50.6 Å²	50.6	39%	0.393	25%	0.249	S	C	.	.	H	α-helix	trans	-69.8	-36	176.4	-175.8	62.9	-169	0	0	112.4	G436 W437 Y438 T444 S448	G436-E440 PolarHBondContact O-N 3.25Å; G436-E440 VanDerWaalsContact O-N 3.16Å; W437-E440 PolarHBondContact O-N 3.31Å; Y438-E440 VanDerWaalsContact C-N 3.29Å; Y438-E440 PolarHBondContact O-N 3.47Å; E440-T444 HydrophobicContact CG-CG2 4.3Å; E440-T444 WeakPolarHBondContact O-CB 3.43Å; E440-T444 VanDerWaalsContact O-CG2 3.26Å; E440-T444 WeakPolarHBondContact O-CG2 3.28Å; E440-T444 PolarHBondContact O-N 2.88Å; E440-T444 PolarHBondContact O-OG1 3.41Å; E440-T444 WeakPolarHBondContact OE1-CG2 3.43Å; E440-S448 PolarHBondContact O-OG 3.39Å
441	V	98.7	Very high	98	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-49	172.4	170.7	0	0	0	0	110.6	W10 L376 W437 Y438 T444 R445 G446 S448 L449	W10-V441 HydrophobicContact CH2-CG1 4.06Å; W10-V441 HydrophobicContact CZ3-CG1 3.98Å; L376-V441 HydrophobicContact CD1-CG1 4.16Å; W437-V441 HydrophobicContact CD2-CG2 4.13Å; W437-V441 HydrophobicContact CH2-CG2 4.12Å; W437-V441 HydrophobicContact CZ2-CG2 3.67Å; W437-V441 WeakPolarHBondContact O-CG2 3.27Å; W437-V441 PolarHBondContact O-N 3.06Å; Y438-V441 HydrophobicContact CD2-CB 4.34Å; Y438-V441 HydrophobicContact CD2-CG1 4.48Å; Y438-V441 WeakPolarHBondContact O-CB 3.29Å; Y438-V441 PolarHBondContact O-N 3Å; Y438-V441 VanDerWaalsContact O-N 3.12Å; V441-T444 PolarHBondContact O-N 2.87Å; V441-T444 PolarHBondContact O-OG1 3.06Å; V441-R445 PolarHBondContact O-N 2.94Å; V441-R445 VanDerWaalsContact O-N 3.1Å; V441-G446 PolarHBondContact O-N 3.14Å; V441-S448 VanDerWaalsContact CA-OG 3.28Å; V441-S448 WeakPolarHBondContact CA-OG 3.45Å; V441-S448 PolarHBondContact N-OG 2.99Å; V441-L449 HydrophobicContact CG1-CD2 4.1Å; V441-L449 HydrophobicContact CG1-CG 4.32Å; V441-L449 HydrophobicContact CG2-CD2 3.83Å; V441-L449 HydrophobicContact CG2-CG 4.41Å
442	I	98.6	Very high	96.8	Very high	13 Å²	13	53 Å²	53	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-50.6	-178.7	-61.9	171.4	0	0	0	110.5	W10 M62 G63 F64 Y438 A439 T444 R445	W10-I442 HydrophobicContact CB-CB 4.4Å; W10-I442 HydrophobicContact CB-CD1 3.99Å; W10-I442 HydrophobicContact CB-CG1 3.78Å; W10-I442 HydrophobicContact CB-CG2 3.82Å; W10-I442 HydrophobicContact CD2-CG1 4.06Å; W10-I442 HydrophobicContact CE3-CG1 4.14Å; W10-I442 HydrophobicContact CG-CB 4.33Å; W10-I442 HydrophobicContact CG-CG1 3.94Å; W10-I442 HydrophobicContact CG-CG2 3.86Å; M62-I442 WeakPolarHBondContact O-CD1 3.44Å; G63-I442 VanDerWaalsContact O-CG2 3.27Å; G63-I442 WeakPolarHBondContact O-CG2 3.35Å; F64-I442 HydrophobicContact CD1-CD1 3.83Å; F64-I442 HydrophobicContact CE1-CD1 4.12Å; Y438-I442 HydrophobicContact CD1-CD1 3.8Å; Y438-I442 HydrophobicContact CE1-CD1 3.65Å; Y438-I442 HydrophobicContact CE1-CG1 4.38Å; Y438-I442 HydrophobicContact CE2-CG1 4.41Å; Y438-I442 HydrophobicContact CG-CD1 4.34Å; Y438-I442 WeakPolarHBondContact O-CG1 3.38Å; Y438-I442 PolarHBondContact O-N 3.34Å; A439-I442 PolarHBondContact O-N 3.48Å; I442-T444 PolarHBondContact O-N 3.28Å; I442-R445 PolarHBondContact O-N 3.26Å
443	K	98.5	Very high	95	Very high	166 Å²	166	58.4 Å²	58.4	72%	0.722	30%	0.295	S	S	*	.	H	α-helix	trans	-55	-38.5	179.1	-179.8	-176.8	173.3	-168.9	0	112.8	A439	A439-K443 VanDerWaalsContact O-CB 3.24Å; A439-K443 WeakPolarHBondContact O-CB 3.42Å; A439-K443 PolarHBondContact O-N 3.15Å
444	T	98.3	Very high	92.8	Very high	32 Å²	32	61 Å²	61	20%	0.196	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.4	-179.7	65.5	0	0	0	0	113.5	E440 V441 I442 G446 L447 S448	E440-T444 HydrophobicContact CG-CG2 4.3Å; E440-T444 WeakPolarHBondContact O-CB 3.43Å; E440-T444 VanDerWaalsContact O-CG2 3.26Å; E440-T444 WeakPolarHBondContact O-CG2 3.28Å; E440-T444 PolarHBondContact O-N 2.88Å; E440-T444 PolarHBondContact O-OG1 3.41Å; E440-T444 WeakPolarHBondContact OE1-CG2 3.43Å; V441-T444 PolarHBondContact O-N 2.87Å; V441-T444 PolarHBondContact O-OG1 3.06Å; I442-T444 PolarHBondContact O-N 3.28Å; T444-G446 PolarHBondContact O-N 3.16Å; T444-L447 WeakPolarHBondContact O-CB 3.22Å; T444-L447 WeakPolarHBondContact O-CG 3.31Å; T444-L447 PolarHBondContact O-N 3.22Å; T444-L447 PolarHBondContact OG1-N 3.5Å; T444-S448 WeakPolarHBondContact OG1-CB 3.38Å; T444-S448 PolarHBondContact OG1-N 3.14Å; T444-S448 VanDerWaalsContact OG1-N 3.1Å; T444-S448 PolarHBondContact OG1-OG 3.06Å; T444-S448 VanDerWaalsContact OG1-OG 3.13Å
445	R	98.4	Very high	89.8	Confident	80 Å²	80	70 Å²	70	30%	0.302	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	44.3	-174.7	-65.3	166.7	51.8	-166.5	-3	111.8	A3 F4 E6 V441 I442 L447	A3-R445 WeakPolarHBondContact CA-O 3.45Å; A3-R445 HydrophobicContact CB-CB 4.2Å; F4-R445 WeakPolarHBondContact CD2-O 3.29Å; F4-R445 PolarHBondContact N-O 3.5Å; F4-R445 VanDerWaalsContact O-CZ 3.29Å; F4-R445 PolarHBondContact O-NE 2.9Å; F4-R445 PolarHBondContact O-NH2 3.46Å; E6-R445 IonicContact OE1-CZ 3.9Å; E6-R445 IonicContact OE1-NH1 3.02Å; E6-R445 PolarHBondContact OE1-NH1 3.2Å; V441-R445 PolarHBondContact O-N 2.94Å; V441-R445 VanDerWaalsContact O-N 3.1Å; I442-R445 PolarHBondContact O-N 3.26Å; R445-L447 VanDerWaalsContact C-N 3.34Å; R445-L447 PolarHBondContact O-N 3.25Å
446	G	98.2	Very high	86.8	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	2.6	179.3	0	0	0	0	0	115.9	V441 T444 S448 L449	V441-G446 PolarHBondContact O-N 3.14Å; T444-G446 PolarHBondContact O-N 3.16Å; G446-S448 PolarHBondContact O-N 3.27Å; G446-L449 VanDerWaalsContact O-CB 3.29Å; G446-L449 WeakPolarHBondContact O-CB 3.47Å; G446-L449 WeakPolarHBondContact O-CD1 3.38Å; G446-L449 VanDerWaalsContact O-CG 3.29Å; G446-L449 WeakPolarHBondContact O-CG 3.49Å; G446-L449 PolarHBondContact O-N 3.35Å
447	L	98	Very high	83.9	Confident	108 Å²	108	80.9 Å²	80.9	57%	0.565	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.9	177.8	-69	172	0	0	0	113.3	A3 T444 R445 L449	A3-L447 HydrophobicContact CB-CD1 4.13Å; A3-L447 HydrophobicContact CB-CD2 4.05Å; A3-L447 HydrophobicContact CB-CG 3.91Å; T444-L447 WeakPolarHBondContact O-CB 3.22Å; T444-L447 WeakPolarHBondContact O-CG 3.31Å; T444-L447 PolarHBondContact O-N 3.22Å; T444-L447 PolarHBondContact OG1-N 3.5Å; R445-L447 VanDerWaalsContact C-N 3.34Å; R445-L447 PolarHBondContact O-N 3.25Å; L447-L449 VanDerWaalsContact C-N 3.29Å
448	S	97.9	Very high	83.1	Confident	35 Å²	35	82.8 Å²	82.8	25%	0.245	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.4	174.7	65.7	0	0	0	0	114.2	E440 V441 T444 G446	E440-S448 PolarHBondContact O-OG 3.39Å; V441-S448 VanDerWaalsContact CA-OG 3.28Å; V441-S448 WeakPolarHBondContact CA-OG 3.45Å; V441-S448 PolarHBondContact N-OG 2.99Å; T444-S448 WeakPolarHBondContact OG1-CB 3.38Å; T444-S448 PolarHBondContact OG1-N 3.14Å; T444-S448 VanDerWaalsContact OG1-N 3.1Å; T444-S448 PolarHBondContact OG1-OG 3.06Å; T444-S448 VanDerWaalsContact OG1-OG 3.13Å; G446-S448 PolarHBondContact O-N 3.27Å
449	L	98	Very high	82.3	Confident	9 Å²	9	87.2 Å²	87.2	5%	0.047	46%	0.458	C	S	.	.			trans	-62.1	143.7	176.6	-65.8	170.4	0	0	0	110.9	M1 F4 L376 V377 W437 V441 G446 L447	M1-L449 HydrophobicContact CE-CB 3.63Å; M1-L449 WeakPolarHBondContact CE-O 3.26Å; F4-L449 HydrophobicContact CE2-CD1 3.84Å; F4-L449 HydrophobicContact CZ-CD1 4.41Å; L376-L449 HydrophobicContact CB-CD1 3.79Å; L376-L449 HydrophobicContact CB-CD2 3.94Å; L376-L449 HydrophobicContact CD1-CD2 4.19Å; V377-L449 HydrophobicContact CG2-CB 4.17Å; W437-L449 HydrophobicContact CH2-CD2 4.49Å; W437-L449 HydrophobicContact CZ2-CD2 3.88Å; V441-L449 HydrophobicContact CG1-CD2 4.1Å; V441-L449 HydrophobicContact CG1-CG 4.32Å; V441-L449 HydrophobicContact CG2-CD2 3.83Å; V441-L449 HydrophobicContact CG2-CG 4.41Å; G446-L449 VanDerWaalsContact O-CB 3.29Å; G446-L449 WeakPolarHBondContact O-CB 3.47Å; G446-L449 WeakPolarHBondContact O-CD1 3.38Å; G446-L449 VanDerWaalsContact O-CG 3.29Å; G446-L449 WeakPolarHBondContact O-CG 3.49Å; G446-L449 PolarHBondContact O-N 3.35Å; L447-L449 VanDerWaalsContact C-N 3.29Å
450	K	95.1	Very high	81.4	Confident	159 Å²	159	90.8 Å²	90.8	69%	0.691	47%	0.473	S	S	*	.			trans	-105	105.7	-179.1	-65.1	-179.6	-177.2	174.2	0	109.8	N373 I452	N373-K450 PolarHBondContact ND2-O 3.38Å; N373-K450 PolarHBondContact OD1-N 3.3Å; K450-I452 PolarHBondContact O-N 3.04Å; K450-I452 VanDerWaalsContact O-N 3.14Å
451	K	89.9	Confident	80.3	Confident	104 Å²	104	91.2 Å²	91.2	45%	0.452	48%	0.478	S	S	.	.			trans	-72.6	105.4	170.5	-172.2	169	-176	173.1	0	109	M1 V377 E381 T453	M1-K451 HydrophobicContact CE-CB 3.92Å; M1-K451 HydrophobicContact CG-CB 4.37Å; M1-K451 HydrophobicContact CG-CD 4.25Å; M1-K451 HydrophobicContact SD-CB 3.91Å; M1-K451 HydrophobicContact SD-CD 4.47Å; V377-K451 HydrophobicContact CG1-CB 4.34Å; V377-K451 HydrophobicContact CG1-CG 4.06Å; E381-K451 IonicContact OE1-NZ 2.83Å; E381-K451 PolarHBondContact OE1-NZ 3.42Å; E381-K451 IonicContact OE2-NZ 2.82Å; K451-T453 PolarHBondContact O-N 2.6Å; K451-T453 VanDerWaalsContact O-N 3.13Å
452	I	75.2	Confident	79.2	Confident	113 Å²	113	96.9 Å²	96.9	58%	0.579	51%	0.508	S	S	*	.			trans	-69.3	111.9	170	-57.7	177.1	0	0	0	106.6	K450 I454	K450-I452 PolarHBondContact O-N 3.04Å; K450-I452 VanDerWaalsContact O-N 3.14Å; I452-I454 VanDerWaalsContact C-N 3.29Å; I452-I454 HydrophobicContact CG2-CG1 4.46Å; I452-I454 PolarHBondContact O-N 3.42Å
453	T	60.1	Low	77.9	Confident	118 Å²	118	102.5 Å²	102.5	72%	0.724	54%	0.537	S	S	*	.			trans	-73.4	93	169.9	-47.4	0	0	0	0	106.3	K451 K455	K451-T453 PolarHBondContact O-N 2.6Å; K451-T453 VanDerWaalsContact O-N 3.13Å; T453-K455 VanDerWaalsContact C-N 3.31Å; T453-K455 PolarHBondContact O-N 2.87Å
454	I	53.4	Low	76.4	Confident	139 Å²	139	97.9 Å²	97.9	71%	0.713	52%	0.524	S	S	*	.			trans	-62.5	103.3	165	-56.5	176.9	0	0	0	104.5	I452 A456	I452-I454 VanDerWaalsContact C-N 3.29Å; I452-I454 HydrophobicContact CG2-CG1 4.46Å; I452-I454 PolarHBondContact O-N 3.42Å; I454-A456 PolarHBondContact O-N 3.35Å
455	K	34.9	Very low	74.7	Confident	190 Å²	190	103 Å²	103	83%	0.826	55%	0.549	S	S	*	.			trans	-57.2	114.9	160.4	-78.3	-177.5	175.5	-178.8	0	104.5	T453	T453-K455 VanDerWaalsContact C-N 3.31Å; T453-K455 PolarHBondContact O-N 2.87Å
456	A	36.2	Very low	72.8	Confident	84 Å²	84	104.9 Å²	104.9	69%	0.694	57%	0.57	S	S	*	*			trans	-47.6	136.5	168.7	0	0	0	0	0	107.7	I454	I454-A456 PolarHBondContact O-N 3.35Å
457	P	36.5	Very low	70.5	Confident	200 Å²	200	114.5 Å²	114.5	100%	1.299	62%	0.621	S	S	*	*			trans	-53.4	0	175.7	22.6	-32	0	0	0	111.9

Retrieved 457 of 457 residues in 309.3 ms (Link to these results)

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