A0A096LTP7_POEFO Loading...

Pro-cathepsin H

Important for the overall degradation of proteins in lysosomes.

AlphaFold DB , UniProt , Accession A0A096LTP7, Species POEFO (Poecilia formosa, Amazon molly), Gene CTSH, Length 325 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	41.7	Very low	44.3	Very low	244 Å²	244	167.4 Å²	167.4	100%	1.202	84%	0.843	S	S	*	*				0	96.2	0	-80.1	179.1	168	0	0	108.3
2	T	37.6	Very low	44.6	Very low	141 Å²	141	161.5 Å²	161.5	87%	0.865	83%	0.829	S	S	*	*			trans	-120.6	105.4	176.2	23.4	0	0	0	0	107
3	R	46.5	Very low	44.4	Very low	218 Å²	218	161.9 Å²	161.9	82%	0.823	83%	0.833	S	S	*	*			trans	-81.7	114.8	175	-81.7	-176.1	171.3	-173.4	-2.4	108.4
4	V	44.7	Very low	44.6	Very low	127 Å²	127	159.1 Å²	159.1	77%	0.77	83%	0.827	S	S	*	*			trans	-83.6	118.9	168.6	-180	0	0	0	0	107.3
5	W	44.4	Very low	45.1	Very low	212 Å²	212	156.3 Å²	156.3	80%	0.803	83%	0.826	S	S	*	*			trans	-89.5	111.8	172.3	-70.7	91.3	0	0	0	108.5	L7	W5-L7 PolarHBondContact O-N 3.09Å
6	L	43.8	Very low	46	Very low	155 Å²	155	149.8 Å²	149.8	81%	0.812	80%	0.801	S	S	*	*			trans	-76.5	106.8	169	-92.5	139.2	0	0	0	108.6	L8	L6-L8 PolarHBondContact O-N 3.44Å
7	L	45.8	Very low	47.5	Very low	171 Å²	171	144.8 Å²	144.8	90%	0.895	77%	0.771	S	S	*	*			trans	-73.6	103.4	164.9	-86.4	152.1	0	0	0	108.2	W5 S9	W5-L7 PolarHBondContact O-N 3.09Å; L7-S9 PolarHBondContact O-N 3.4Å
8	L	46.4	Very low	49.4	Very low	150 Å²	150	146.7 Å²	146.7	79%	0.785	77%	0.767	S	S	*	*			trans	-78.6	105	166.8	-87.4	148.3	0	0	0	108.4	L6 F10	L6-L8 PolarHBondContact O-N 3.44Å; L8-F10 PolarHBondContact O-N 3.18Å
9	S	45.8	Very low	51.4	Low	103 Å²	103	142.6 Å²	142.6	72%	0.72	75%	0.746	S	S	*	*			trans	-73.2	109.3	168.8	44.9	0	0	0	0	109.5	L7 V11	L7-S9 PolarHBondContact O-N 3.4Å; S9-V11 PolarHBondContact O-N 3.18Å; S9-V11 VanDerWaalsContact O-N 3.11Å
10	F	45.7	Very low	53.4	Low	203 Å²	203	138.9 Å²	138.9	89%	0.89	73%	0.73	S	S	*	*			trans	-71.2	100.7	165.7	-83.6	-89.2	0	0	0	108.6	L8 S12	L8-F10 PolarHBondContact O-N 3.18Å; F10-S12 PolarHBondContact O-N 2.94Å
11	V	45.2	Very low	55.3	Low	117 Å²	117	141.2 Å²	141.2	71%	0.709	73%	0.734	S	S	*	*			trans	-72.8	108.1	165.9	-179.9	0	0	0	0	107	S9 L13	S9-V11 PolarHBondContact O-N 3.18Å; S9-V11 VanDerWaalsContact O-N 3.11Å; V11-L13 PolarHBondContact O-N 2.87Å; V11-L13 VanDerWaalsContact O-N 3.14Å
12	S	48.1	Very low	57.8	Low	97 Å²	97	138.3 Å²	138.3	68%	0.678	71%	0.709	S	S	*	*			trans	-63.4	109.2	166.8	177.3	0	0	0	0	108.3	F10 T14	F10-S12 PolarHBondContact O-N 2.94Å; S12-T14 VanDerWaalsContact C-N 3.32Å; S12-T14 PolarHBondContact O-N 3.36Å
13	L	41.2	Very low	60.6	Low	167 Å²	167	132.5 Å²	132.5	87%	0.874	67%	0.673	S	S	*	*			trans	-69.1	92.4	168.4	-91.3	116.1	0	0	0	108.3	V11 S15	V11-L13 PolarHBondContact O-N 2.87Å; V11-L13 VanDerWaalsContact O-N 3.14Å; L13-S15 PolarHBondContact O-N 3.05Å
14	T	47.7	Very low	62.9	Low	123 Å²	123	124.8 Å²	124.8	76%	0.755	65%	0.646	S	S	*	*			trans	-70.6	106.8	159.8	48	0	0	0	0	107.3	S12 A16	S12-T14 VanDerWaalsContact C-N 3.32Å; S12-T14 PolarHBondContact O-N 3.36Å; T14-A16 PolarHBondContact O-N 3.36Å
15	S	51.5	Low	65.4	Low	116 Å²	116	125.1 Å²	125.1	81%	0.811	64%	0.638	S	S	*	*			trans	-56.4	105.4	170.3	154.2	0	0	0	0	108.7	L13 F17	L13-S15 PolarHBondContact O-N 3.05Å; S15-F17 PolarHBondContact O-N 3.32Å
16	A	60.2	Low	67.9	Low	52 Å²	52	117.8 Å²	117.8	43%	0.43	61%	0.612	S	S	.	*			trans	-61	133.5	174.2	0	0	0	0	0	109.7	T14 Y18	T14-A16 PolarHBondContact O-N 3.36Å; A16-Y18 HydrophobicContact CB-CD2 4.21Å; A16-Y18 HydrophobicContact CB-CE2 3.54Å; A16-Y18 WeakPolarHBondContact O-CD2 3.38Å; A16-Y18 PolarHBondContact O-N 3.05Å; A16-Y18 VanDerWaalsContact O-N 3.07Å
17	F	71.4	Confident	70.5	Confident	66 Å²	66	110.4 Å²	110.4	29%	0.289	57%	0.574	S	S	.	*			trans	-72.4	101.1	178.9	-172.7	-89.1	0	0	0	109.2	S15 L19 R48 T51 E52 R55	S15-F17 PolarHBondContact O-N 3.32Å; F17-L19 HydrophobicContact CD1-CG 4.43Å; F17-L19 HydrophobicContact CE1-CD2 3.79Å; F17-L19 HydrophobicContact CE1-CG 3.98Å; F17-R48 HydrophobicContact CD1-CG 4.22Å; F17-R48 HydrophobicContact CE1-CG 3.8Å; F17-R48 HydrophobicContact CZ-CG 4.42Å; F17-T51 HydrophobicContact CE1-CG2 4.38Å; F17-T51 HydrophobicContact CZ-CG2 3.74Å; F17-E52 HydrophobicContact CD2-CG 4.24Å; F17-E52 HydrophobicContact CE1-CG 4.39Å; F17-E52 HydrophobicContact CE2-CG 3.38Å; F17-E52 HydrophobicContact CZ-CG 3.48Å; F17-E52 VanDerWaalsContact CZ-CG 3.48Å; F17-R55 VanDerWaalsContact CD2-NH1 3.35Å
18	Y	81.4	Confident	73	Confident	178 Å²	178	107.4 Å²	107.4	70%	0.698	55%	0.553	S	S	*	*			trans	-95.9	127.6	176.3	-66.9	-76.9	0	0	0	110.6	A16 R55	A16-Y18 HydrophobicContact CB-CD2 4.21Å; A16-Y18 HydrophobicContact CB-CE2 3.54Å; A16-Y18 WeakPolarHBondContact O-CD2 3.38Å; A16-Y18 PolarHBondContact O-N 3.05Å; A16-Y18 VanDerWaalsContact O-N 3.07Å; Y18-R55 PolarHBondContact O-NH2 2.68Å; Y18-R55 VanDerWaalsContact O-NH2 3.13Å
19	L	88.2	Confident	75.5	Confident	69 Å²	69	102.9 Å²	102.9	36%	0.361	53%	0.534	S	S	.	.			trans	-84.7	133.3	171.2	-76	167	0	0	0	109.8	F17 D23 L47 T51	F17-L19 HydrophobicContact CD1-CG 4.43Å; F17-L19 HydrophobicContact CE1-CD2 3.79Å; F17-L19 HydrophobicContact CE1-CG 3.98Å; L19-D23 HydrophobicContact CD2-CB 4.38Å; L19-L47 HydrophobicContact CD1-CD2 4.06Å; L19-L47 HydrophobicContact CD1-CG 4.12Å; L19-L47 HydrophobicContact CD2-CD1 4.4Å; L19-L47 HydrophobicContact CD2-CD2 4.48Å; L19-L47 HydrophobicContact CD2-CG 3.99Å; L19-T51 HydrophobicContact CD2-CG2 4.02Å; L19-T51 WeakPolarHBondContact CD2-OG1 3.34Å
20	T	91.8	Very high	78	Confident	69 Å²	69	98.2 Å²	98.2	42%	0.423	50%	0.501	S	S	.	.			trans	-104.2	160.8	179.6	72	0	0	0	0	111.6	R22 D23 E24	T20-R22 PolarHBondContact O-N 3.46Å; T20-R22 PolarHBondContact OG1-N 3.47Å; T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 PolarHBondContact N-OD2 3.42Å; T20-D23 WeakPolarHBondContact O-CB 3.42Å; T20-D23 PolarHBondContact O-N 2.68Å; T20-D23 VanDerWaalsContact O-N 3.13Å; T20-D23 PolarHBondContact OG1-N 3.45Å; T20-D23 VanDerWaalsContact OG1-N 3.15Å; T20-D23 PolarHBondContact OG1-OD2 2.93Å; T20-E24 PolarHBondContact O-N 3.05Å; T20-E24 VanDerWaalsContact O-N 3.16Å
21	K	92.9	Very high	80.5	Confident	187 Å²	187	89.7 Å²	89.7	81%	0.813	46%	0.464	S	S	*	.	H	α-helix	trans	-58.5	-27.4	171.4	-68.9	-174.1	177.5	-178.2	0	112.9	F25	K21-F25 PolarHBondContact O-N 3.08Å; K21-F25 VanDerWaalsContact O-N 3.09Å
22	R	94.1	Very high	83	Confident	183 Å²	183	88 Å²	88	69%	0.691	46%	0.462	S	S	*	.	H	α-helix	trans	-72.1	-42	177	-175.3	178.1	179.8	177	1.4	111.2	T20 E24 F25 H26	T20-R22 PolarHBondContact O-N 3.46Å; T20-R22 PolarHBondContact OG1-N 3.47Å; R22-E24 VanDerWaalsContact C-N 3.31Å; R22-E24 PolarHBondContact O-N 3.42Å; R22-F25 PolarHBondContact O-N 3.48Å; R22-H26 PolarHBondContact NE-NE2 3.13Å; R22-H26 PolarHBondContact O-CD2 2.95Å; R22-H26 PolarHBondContact O-N 3.18Å
23	D	95	Very high	85.3	Confident	19 Å²	19	90 Å²	90	10%	0.102	46%	0.461	C	S	.	.	H	α-helix	trans	-59.4	-46	175.1	-59.3	-41.7	0	0	0	110.2	L19 T20 F25 H26 F27 T51 R55	L19-D23 HydrophobicContact CD2-CB 4.38Å; T20-D23 WeakPolarHBondContact CB-OD2 3.48Å; T20-D23 PolarHBondContact N-OD2 3.42Å; T20-D23 WeakPolarHBondContact O-CB 3.42Å; T20-D23 PolarHBondContact O-N 2.68Å; T20-D23 VanDerWaalsContact O-N 3.13Å; T20-D23 PolarHBondContact OG1-N 3.45Å; T20-D23 VanDerWaalsContact OG1-N 3.15Å; T20-D23 PolarHBondContact OG1-OD2 2.93Å; D23-F25 PolarHBondContact O-N 3.16Å; D23-H26 PolarHBondContact O-N 3.15Å; D23-F27 PolarHBondContact O-N 2.73Å; D23-T51 HydrophobicContact CB-CG2 3.97Å; D23-R55 IonicContact OD2-NH2 3.26Å; D23-R55 PolarHBondContact OD2-NH2 3.27Å
24	E	96.2	Very high	87.9	Confident	57 Å²	57	84.6 Å²	84.6	27%	0.266	43%	0.429	S	S	.	.	H	α-helix	trans	-61.8	-40.1	177.4	-163	-171.2	158.6	0	0	112.8	T20 R22 F27 K28 Y43 L47	T20-E24 PolarHBondContact O-N 3.05Å; T20-E24 VanDerWaalsContact O-N 3.16Å; R22-E24 VanDerWaalsContact C-N 3.31Å; R22-E24 PolarHBondContact O-N 3.42Å; E24-F27 PolarHBondContact O-N 2.91Å; E24-K28 HydrophobicContact CG-CD 4.43Å; E24-K28 WeakPolarHBondContact O-CB 3.25Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.48Å; E24-K28 WeakPolarHBondContact OE1-CE 3.48Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 2.81Å; E24-Y43 WeakPolarHBondContact CG-OH 3.37Å; E24-Y43 PolarHBondContact OE1-OH 3.29Å; E24-L47 HydrophobicContact CB-CD2 4.37Å; E24-L47 HydrophobicContact CG-CD2 4.14Å
25	F	97.3	Very high	90.2	Very high	134 Å²	134	86 Å²	86	59%	0.588	43%	0.432	S	S	*	.	H	α-helix	trans	-63	-44.9	175.3	174.6	-94.4	0	0	0	112.4	K21 R22 D23 K28 S29	K21-F25 PolarHBondContact O-N 3.08Å; K21-F25 VanDerWaalsContact O-N 3.09Å; R22-F25 PolarHBondContact O-N 3.48Å; D23-F25 PolarHBondContact O-N 3.16Å; F25-K28 PolarHBondContact O-N 3.44Å; F25-S29 PolarHBondContact O-N 2.86Å; F25-S29 PolarHBondContact O-OG 3.23Å
26	H	97.3	Very high	92.3	Very high	57 Å²	57	83.6 Å²	83.6	26%	0.264	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-42.3	176.5	-75	-58.2	0	0	0	111.5	R22 D23 S29 W30 F50	R22-H26 PolarHBondContact NE-NE2 3.13Å; R22-H26 PolarHBondContact O-CD2 2.95Å; R22-H26 PolarHBondContact O-N 3.18Å; D23-H26 PolarHBondContact O-N 3.15Å; H26-S29 PolarHBondContact O-N 2.64Å; H26-W30 WeakPolarHBondContact O-CB 3.45Å; H26-W30 PolarHBondContact O-N 2.96Å; H26-F50 HydrophobicContact CB-CE1 4.12Å
27	F	98.4	Very high	94.1	Very high	0 Å²	0	85.4 Å²	85.4	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-63.1	-45.8	177.2	-177.8	-124.3	0	0	0	112.3	D23 E24 S29 W30 M31 Y38 Y43 R46 L47 F50 D76	D23-F27 PolarHBondContact O-N 2.73Å; E24-F27 PolarHBondContact O-N 2.91Å; F27-S29 VanDerWaalsContact C-N 3.3Å; F27-S29 PolarHBondContact O-N 3.13Å; F27-W30 AromaticContact CD2-CE3 3.99Å; F27-W30 HydrophobicContact CD2-CE3 3.99Å; F27-W30 AromaticContact CE2-CE3 3.8Å; F27-W30 HydrophobicContact CE2-CE3 3.8Å; F27-W30 AromaticContact CE2-CZ3 3.88Å; F27-W30 HydrophobicContact CE2-CZ3 3.88Å; F27-W30 WeakPolarHBondContact O-CB 3.1Å; F27-W30 PolarHBondContact O-N 3Å; F27-M31 HydrophobicContact CD1-CG 4.39Å; F27-M31 HydrophobicContact CD1-SD 3.81Å; F27-M31 HydrophobicContact CD2-CG 4.27Å; F27-M31 HydrophobicContact CE1-CG 4.08Å; F27-M31 HydrophobicContact CE1-SD 3.38Å; F27-M31 WeakPolarHBondContact CE1-SD 3.29Å; F27-M31 HydrophobicContact CE2-CG 3.95Å; F27-M31 HydrophobicContact CE2-SD 4.33Å; F27-M31 HydrophobicContact CG-CG 4.49Å; F27-M31 HydrophobicContact CG-SD 4.46Å; F27-M31 HydrophobicContact CZ-CG 3.84Å; F27-M31 HydrophobicContact CZ-SD 3.66Å; F27-M31 WeakPolarHBondContact O-CG 3.49Å; F27-M31 PolarHBondContact O-N 3.32Å; F27-Y38 HydrophobicContact CZ-CD2 4.04Å; F27-Y38 AromaticContact CZ-CE2 3.93Å; F27-Y38 HydrophobicContact CZ-CE2 3.93Å; F27-Y43 HydrophobicContact CD1-CD2 4.5Å; F27-Y43 AromaticContact CD1-CE2 3.84Å; F27-Y43 HydrophobicContact CD1-CE2 3.84Å; F27-Y43 AromaticContact CD1-CZ 3.92Å; F27-Y43 AromaticContact CE1-CD2 3.86Å; F27-Y43 HydrophobicContact CE1-CD2 3.86Å; F27-Y43 AromaticContact CE1-CE2 3.64Å; F27-Y43 HydrophobicContact CE1-CE2 3.64Å; F27-Y43 HydrophobicContact CE1-CG 4.47Å; F27-R46 HydrophobicContact CE1-CB 4.35Å; F27-R46 HydrophobicContact CE2-CB 4.21Å; F27-R46 HydrophobicContact CZ-CB 3.54Å; F27-L47 HydrophobicContact CB-CD1 3.45Å; F27-L47 VanDerWaalsContact CB-CD1 3.45Å; F27-L47 HydrophobicContact CD1-CB 3.65Å; F27-L47 HydrophobicContact CD1-CD1 3.71Å; F27-L47 HydrophobicContact CD1-CG 4.21Å; F27-L47 HydrophobicContact CE1-CB 3.79Å; F27-L47 HydrophobicContact CG-CB 4.26Å; F27-L47 HydrophobicContact CG-CD1 3.74Å; F27-F50 HydrophobicContact CB-CD1 3.76Å; F27-F50 HydrophobicContact CB-CE1 3.99Å; F27-F50 HydrophobicContact CB-CG 4.37Å; F27-F50 HydrophobicContact CD2-CB 3.57Å; F27-F50 AromaticContact CD2-CD1 3.75Å; F27-F50 HydrophobicContact CD2-CD1 3.75Å; F27-F50 AromaticContact CD2-CD2 3.91Å; F27-F50 HydrophobicContact CD2-CD2 3.91Å; F27-F50 HydrophobicContact CD2-CE1 4.41Å; F27-F50 AromaticContact CD2-CG 3.46Å; F27-F50 HydrophobicContact CD2-CG 3.46Å; F27-F50 VanDerWaalsContact CD2-CG 3.46Å; F27-F50 HydrophobicContact CE2-CB 3.89Å; F27-F50 HydrophobicContact CE2-CD2 4.49Å; F27-F50 HydrophobicContact CE2-CG 4.18Å; F27-F50 HydrophobicContact CG-CB 4.46Å; F27-F50 HydrophobicContact CG-CD1 4.16Å; F27-F50 HydrophobicContact CG-CG 4.3Å; F27-D76 HydrophobicContact CE2-CB 4.1Å
28	K	98	Very high	95.3	Very high	109 Å²	109	84.7 Å²	84.7	47%	0.474	42%	0.417	S	S	.	.	H	α-helix	trans	-59.9	-39.1	175.4	-77.9	172.8	165.1	160.3	0	112.8	E24 F25 M31 A32 Y43	E24-K28 HydrophobicContact CG-CD 4.43Å; E24-K28 WeakPolarHBondContact O-CB 3.25Å; E24-K28 WeakPolarHBondContact O-CG 3.45Å; E24-K28 PolarHBondContact O-N 3.48Å; E24-K28 WeakPolarHBondContact OE1-CE 3.48Å; E24-K28 IonicContact OE1-NZ 2.68Å; E24-K28 PolarHBondContact OE1-NZ 2.81Å; F25-K28 PolarHBondContact O-N 3.44Å; K28-M31 PolarHBondContact O-N 2.84Å; K28-A32 PolarHBondContact O-N 3.43Å; K28-A32 VanDerWaalsContact O-N 3.08Å; K28-Y43 VanDerWaalsContact CE-OH 3.25Å; K28-Y43 WeakPolarHBondContact CE-OH 3.42Å
29	S	97.9	Very high	96	Very high	54 Å²	54	81 Å²	81	38%	0.378	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-43.8	176	-56.3	0	0	0	0	111.4	F25 H26 F27 A32 Q33	F25-S29 PolarHBondContact O-N 2.86Å; F25-S29 PolarHBondContact O-OG 3.23Å; H26-S29 PolarHBondContact O-N 2.64Å; F27-S29 VanDerWaalsContact C-N 3.3Å; F27-S29 PolarHBondContact O-N 3.13Å; S29-A32 PolarHBondContact O-N 3.31Å; S29-Q33 PolarHBondContact O-N 2.98Å
30	W	98.3	Very high	96.3	Very high	6 Å²	6	85 Å²	85	2%	0.023	42%	0.424	C	S	.	.	H	α-helix	trans	-63.3	-43.7	174.9	175.9	92.5	0	0	0	111.9	H26 F27 A32 Q33 Y34 K36 F50 N72 D76	H26-W30 WeakPolarHBondContact O-CB 3.45Å; H26-W30 PolarHBondContact O-N 2.96Å; F27-W30 AromaticContact CD2-CE3 3.99Å; F27-W30 HydrophobicContact CD2-CE3 3.99Å; F27-W30 AromaticContact CE2-CE3 3.8Å; F27-W30 HydrophobicContact CE2-CE3 3.8Å; F27-W30 AromaticContact CE2-CZ3 3.88Å; F27-W30 HydrophobicContact CE2-CZ3 3.88Å; F27-W30 WeakPolarHBondContact O-CB 3.1Å; F27-W30 PolarHBondContact O-N 3Å; W30-A32 VanDerWaalsContact C-N 3.29Å; W30-A32 PolarHBondContact O-N 3.04Å; W30-Q33 WeakPolarHBondContact O-CB 3.08Å; W30-Q33 PolarHBondContact O-N 3Å; W30-Q33 VanDerWaalsContact O-N 3.11Å; W30-Y34 AromaticContact CD1-CD2 3.44Å; W30-Y34 VanDerWaalsContact CD1-CD2 3.44Å; W30-Y34 AromaticContact CD1-CE2 3.38Å; W30-Y34 AromaticContact CD2-CD2 3.97Å; W30-Y34 HydrophobicContact CD2-CD2 3.97Å; W30-Y34 AromaticContact CE2-CD2 3.51Å; W30-Y34 AromaticContact CG-CD2 3.9Å; W30-Y34 HydrophobicContact CG-CD2 3.9Å; W30-Y34 HydrophobicContact CG-CE2 4.25Å; W30-Y34 HydrophobicContact CZ2-CD2 4.1Å; W30-Y34 HydrophobicContact CZ2-CG 4.31Å; W30-Y34 AromaticContact NE1-CD2 3.2Å; W30-Y34 AromaticContact NE1-CE2 3.24Å; W30-Y34 WeakPolarHBondContact O-CD2 3.38Å; W30-Y34 PolarHBondContact O-N 3.38Å; W30-K36 HydrophobicContact CH2-CD 4.27Å; W30-K36 HydrophobicContact CH2-CG 3.71Å; W30-K36 HydrophobicContact CZ3-CB 4.2Å; W30-K36 HydrophobicContact CZ3-CG 3.65Å; W30-F50 HydrophobicContact CB-CE2 3.67Å; W30-F50 HydrophobicContact CB-CZ 3.85Å; W30-F50 AromaticContact CD1-CE2 3.61Å; W30-F50 HydrophobicContact CD2-CD2 4.02Å; W30-F50 AromaticContact CD2-CE2 3.81Å; W30-F50 HydrophobicContact CD2-CE2 3.81Å; W30-F50 HydrophobicContact CE3-CD2 4.32Å; W30-F50 HydrophobicContact CE3-CE2 4.46Å; W30-F50 HydrophobicContact CG-CD2 4.09Å; W30-F50 AromaticContact CG-CE2 3.39Å; W30-F50 HydrophobicContact CG-CE2 3.39Å; W30-F50 HydrophobicContact CG-CZ 4.1Å; W30-N72 WeakPolarHBondContact CZ2-O 3.31Å; W30-N72 PolarHBondContact NE1-O 3.44Å; W30-D76 HydrophobicContact CH2-CB 3.7Å; W30-D76 VanDerWaalsContact CH2-OD1 3.31Å; W30-D76 WeakPolarHBondContact CH2-OD1 3.3Å; W30-D76 WeakPolarHBondContact CH2-OD2 3.39Å; W30-D76 HydrophobicContact CZ2-CB 4.42Å; W30-D76 HydrophobicContact CZ3-CB 3.81Å; W30-D76 VanDerWaalsContact CZ3-OD2 3.28Å; W30-D76 WeakPolarHBondContact CZ3-OD2 3.4Å
31	M	98.4	Very high	96.3	Very high	24 Å²	24	89.6 Å²	89.6	12%	0.118	44%	0.441	C	S	.	.	H	α-helix	trans	-57.8	-42.9	175.8	-73.5	177.8	67.9	0	0	111.6	F27 K28 Y34 N35 K36 Y38 Y43	F27-M31 HydrophobicContact CD1-CG 4.39Å; F27-M31 HydrophobicContact CD1-SD 3.81Å; F27-M31 HydrophobicContact CD2-CG 4.27Å; F27-M31 HydrophobicContact CE1-CG 4.08Å; F27-M31 HydrophobicContact CE1-SD 3.38Å; F27-M31 WeakPolarHBondContact CE1-SD 3.29Å; F27-M31 HydrophobicContact CE2-CG 3.95Å; F27-M31 HydrophobicContact CE2-SD 4.33Å; F27-M31 HydrophobicContact CG-CG 4.49Å; F27-M31 HydrophobicContact CG-SD 4.46Å; F27-M31 HydrophobicContact CZ-CG 3.84Å; F27-M31 HydrophobicContact CZ-SD 3.66Å; F27-M31 WeakPolarHBondContact O-CG 3.49Å; F27-M31 PolarHBondContact O-N 3.32Å; K28-M31 PolarHBondContact O-N 2.84Å; M31-Y34 PolarHBondContact O-N 2.96Å; M31-N35 CarbonylContact O-C 3.53Å; M31-N35 WeakPolarHBondContact O-CA 3.45Å; M31-N35 PolarHBondContact O-N 2.94Å; M31-K36 HydrophobicContact CB-CB 4.2Å; M31-K36 VanDerWaalsContact CE-O 3.3Å; M31-K36 WeakPolarHBondContact CE-O 3.26Å; M31-K36 HydrophobicContact CG-CB 4.16Å; M31-K36 PolarHBondContact O-N 3.45Å; M31-Y38 HydrophobicContact CE-CD2 3.71Å; M31-Y38 HydrophobicContact CE-CE2 4.25Å; M31-Y38 HydrophobicContact SD-CD2 4.24Å; M31-Y43 HydrophobicContact CE-CD2 4.29Å; M31-Y43 HydrophobicContact CE-CE2 4.39Å; M31-Y43 HydrophobicContact SD-CD2 4Å; M31-Y43 HydrophobicContact SD-CE2 3.66Å
32	A	97.4	Very high	96.5	Very high	80 Å²	80	83.7 Å²	83.7	66%	0.661	42%	0.416	S	S	*	.	H	α-helix	trans	-64.7	-40.6	176.5	0	0	0	0	0	112.1	K28 S29 W30	K28-A32 PolarHBondContact O-N 3.43Å; K28-A32 VanDerWaalsContact O-N 3.08Å; S29-A32 PolarHBondContact O-N 3.31Å; W30-A32 VanDerWaalsContact C-N 3.29Å; W30-A32 PolarHBondContact O-N 3.04Å
33	Q	96.2	Very high	96.6	Very high	141 Å²	141	76.3 Å²	76.3	66%	0.659	39%	0.389	S	S	*	.	H	α-helix	trans	-63.8	-41.9	177.7	-179.9	179.4	-4.7	0	0	112.6	S29 W30	S29-Q33 PolarHBondContact O-N 2.98Å; W30-Q33 WeakPolarHBondContact O-CB 3.08Å; W30-Q33 PolarHBondContact O-N 3Å; W30-Q33 VanDerWaalsContact O-N 3.11Å
34	Y	95.5	Very high	96.7	Very high	52 Å²	52	80.5 Å²	80.5	20%	0.204	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	12.1	-176.9	-68	-80.8	0	0	0	113.7	W30 M31 K36 N72 E73	W30-Y34 AromaticContact CD1-CD2 3.44Å; W30-Y34 VanDerWaalsContact CD1-CD2 3.44Å; W30-Y34 AromaticContact CD1-CE2 3.38Å; W30-Y34 AromaticContact CD2-CD2 3.97Å; W30-Y34 HydrophobicContact CD2-CD2 3.97Å; W30-Y34 AromaticContact CE2-CD2 3.51Å; W30-Y34 AromaticContact CG-CD2 3.9Å; W30-Y34 HydrophobicContact CG-CD2 3.9Å; W30-Y34 HydrophobicContact CG-CE2 4.25Å; W30-Y34 HydrophobicContact CZ2-CD2 4.1Å; W30-Y34 HydrophobicContact CZ2-CG 4.31Å; W30-Y34 AromaticContact NE1-CD2 3.2Å; W30-Y34 AromaticContact NE1-CE2 3.24Å; W30-Y34 WeakPolarHBondContact O-CD2 3.38Å; W30-Y34 PolarHBondContact O-N 3.38Å; M31-Y34 PolarHBondContact O-N 2.96Å; Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.49Å; Y34-N72 WeakPolarHBondContact OH-CA 3.34Å; Y34-E73 HydrophobicContact CD1-CB 3.61Å; Y34-E73 HydrophobicContact CE1-CB 3.75Å; Y34-E73 HydrophobicContact CG-CB 4.49Å
35	N	95.9	Very high	96.7	Very high	152 Å²	152	82.8 Å²	82.8	81%	0.813	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	46.3	180	-165.9	42.9	0	0	0	113.7	M31	M31-N35 CarbonylContact O-C 3.53Å; M31-N35 WeakPolarHBondContact O-CA 3.45Å; M31-N35 PolarHBondContact O-N 2.94Å
36	K	96.9	Very high	96.7	Very high	67 Å²	67	77.9 Å²	77.9	29%	0.291	39%	0.392	S	S	.	.			trans	-94	142.5	179.5	-58.6	-69.7	-168.1	147.3	0	110.9	W30 M31 Y34 Y38	W30-K36 HydrophobicContact CH2-CD 4.27Å; W30-K36 HydrophobicContact CH2-CG 3.71Å; W30-K36 HydrophobicContact CZ3-CB 4.2Å; W30-K36 HydrophobicContact CZ3-CG 3.65Å; M31-K36 HydrophobicContact CB-CB 4.2Å; M31-K36 VanDerWaalsContact CE-O 3.3Å; M31-K36 WeakPolarHBondContact CE-O 3.26Å; M31-K36 HydrophobicContact CG-CB 4.16Å; M31-K36 PolarHBondContact O-N 3.45Å; Y34-K36 VanDerWaalsContact C-N 3.3Å; Y34-K36 PolarHBondContact O-N 3.49Å; K36-Y38 HydrophobicContact CB-CE2 3.98Å
37	A	96.7	Very high	96.8	Very high	89 Å²	89	75.4 Å²	75.4	74%	0.736	38%	0.381	S	S	*	.			trans	-141.2	137.1	174.6	0	0	0	0	0	109.5
38	Y	97.1	Very high	96.7	Very high	52 Å²	52	81.7 Å²	81.7	20%	0.204	41%	0.405	C	S	.	.			trans	-133.7	149.8	-176.2	-61.7	-56.2	0	0	0	110.3	F27 M31 K36 E42 R46 D76	F27-Y38 HydrophobicContact CZ-CD2 4.04Å; F27-Y38 AromaticContact CZ-CE2 3.93Å; F27-Y38 HydrophobicContact CZ-CE2 3.93Å; M31-Y38 HydrophobicContact CE-CD2 3.71Å; M31-Y38 HydrophobicContact CE-CE2 4.25Å; M31-Y38 HydrophobicContact SD-CD2 4.24Å; K36-Y38 HydrophobicContact CB-CE2 3.98Å; Y38-E42 HydrophobicContact CD1-CB 4.44Å; Y38-E42 VanDerWaalsContact CD1-CD 3.41Å; Y38-E42 HydrophobicContact CD1-CG 3.67Å; Y38-E42 WeakPolarHBondContact CD1-OE2 3.18Å; Y38-E42 HydrophobicContact CE1-CG 4.35Å; Y38-E42 HydrophobicContact CG-CG 4.12Å; Y38-R46 HydrophobicContact CD1-CG 4.11Å; Y38-R46 HydrophobicContact CD2-CB 4.02Å; Y38-R46 HydrophobicContact CD2-CG 3.95Å; Y38-R46 HydrophobicContact CE1-CG 3.97Å; Y38-R46 HydrophobicContact CE2-CB 3.88Å; Y38-R46 HydrophobicContact CE2-CG 3.78Å; Y38-R46 HydrophobicContact CG-CG 4.13Å; Y38-D76 WeakPolarHBondContact CE2-OD2 3.47Å; Y38-D76 PolarHBondContact OH-OD2 3.11Å
39	D	96.8	Very high	96.7	Very high	101 Å²	101	77 Å²	77	54%	0.54	39%	0.385	S	S	.	.			trans	-69.8	174.4	164.7	69.7	42.5	0	0	0	111	E41 E42 Y43	D39-E41 VanDerWaalsContact C-N 3.33Å; D39-E41 PolarHBondContact O-N 3.34Å; D39-E41 PolarHBondContact OD1-N 2.87Å; D39-E42 PolarHBondContact OD1-N 2.92Å; D39-Y43 WeakPolarHBondContact O-CB 3.18Å; D39-Y43 PolarHBondContact O-N 2.8Å
40	F	93.2	Very high	96.8	Very high	152 Å²	152	74.5 Å²	74.5	67%	0.667	37%	0.367	S	S	*	.	H	α-helix	trans	-61.7	-38.8	-174.6	-176.5	-91.5	0	0	0	113.1	Y44	F40-Y44 HydrophobicContact CD1-CE2 4.36Å; F40-Y44 HydrophobicContact CD2-CE2 4.09Å; F40-Y44 HydrophobicContact CE1-CD2 4.28Å; F40-Y44 AromaticContact CE1-CE2 3.88Å; F40-Y44 HydrophobicContact CE1-CE2 3.88Å; F40-Y44 AromaticContact CE2-CE2 3.6Å; F40-Y44 HydrophobicContact CE2-CE2 3.6Å; F40-Y44 HydrophobicContact CG-CE2 4.46Å; F40-Y44 HydrophobicContact CZ-CD2 4.32Å; F40-Y44 AromaticContact CZ-CE2 3.48Å; F40-Y44 HydrophobicContact CZ-CE2 3.48Å; F40-Y44 VanDerWaalsContact CZ-CE2 3.48Å; F40-Y44 VanDerWaalsContact O-CD2 3.3Å; F40-Y44 WeakPolarHBondContact O-CD2 3.38Å
41	E	92.4	Very high	96.8	Very high	166 Å²	166	74.3 Å²	74.3	78%	0.776	37%	0.366	S	S	*	.	H	α-helix	trans	-74.6	-47.3	-177.2	-67.4	-171.6	172.7	0	0	110.7	D39 Y43	D39-E41 VanDerWaalsContact C-N 3.33Å; D39-E41 PolarHBondContact O-N 3.34Å; D39-E41 PolarHBondContact OD1-N 2.87Å; E41-Y43 VanDerWaalsContact C-N 3.31Å; E41-Y43 PolarHBondContact O-N 2.84Å
42	E	97	Very high	96.7	Very high	62 Å²	62	76.6 Å²	76.6	29%	0.29	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-34.9	178.2	-176.7	169.1	-160.9	0	0	111.6	Y38 D39 Y44 Q45 R46	Y38-E42 HydrophobicContact CD1-CB 4.44Å; Y38-E42 VanDerWaalsContact CD1-CD 3.41Å; Y38-E42 HydrophobicContact CD1-CG 3.67Å; Y38-E42 WeakPolarHBondContact CD1-OE2 3.18Å; Y38-E42 HydrophobicContact CE1-CG 4.35Å; Y38-E42 HydrophobicContact CG-CG 4.12Å; D39-E42 PolarHBondContact OD1-N 2.92Å; E42-Y44 PolarHBondContact O-N 3.5Å; E42-Q45 WeakPolarHBondContact O-CB 3.34Å; E42-Q45 PolarHBondContact O-N 2.81Å; E42-Q45 VanDerWaalsContact O-N 3.13Å; E42-R46 HydrophobicContact CG-CG 3.66Å; E42-R46 VanDerWaalsContact O-CG 3.3Å; E42-R46 WeakPolarHBondContact O-CG 3.38Å; E42-R46 PolarHBondContact O-N 3.43Å; E42-R46 IonicContact OE1-CZ 2.89Å; E42-R46 IonicContact OE1-NE 3.47Å; E42-R46 PolarHBondContact OE1-NE 3.48Å; E42-R46 IonicContact OE1-NH2 2.76Å; E42-R46 PolarHBondContact OE1-NH2 3.33Å
43	Y	97.7	Very high	96.8	Very high	28 Å²	28	73.4 Å²	73.4	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-54.1	-47.9	-179.9	176.9	-88.8	0	0	0	112.6	E24 F27 K28 M31 D39 E41 Q45 R46 L47	E24-Y43 WeakPolarHBondContact CG-OH 3.37Å; E24-Y43 PolarHBondContact OE1-OH 3.29Å; F27-Y43 HydrophobicContact CD1-CD2 4.5Å; F27-Y43 AromaticContact CD1-CE2 3.84Å; F27-Y43 HydrophobicContact CD1-CE2 3.84Å; F27-Y43 AromaticContact CD1-CZ 3.92Å; F27-Y43 AromaticContact CE1-CD2 3.86Å; F27-Y43 HydrophobicContact CE1-CD2 3.86Å; F27-Y43 AromaticContact CE1-CE2 3.64Å; F27-Y43 HydrophobicContact CE1-CE2 3.64Å; F27-Y43 HydrophobicContact CE1-CG 4.47Å; K28-Y43 VanDerWaalsContact CE-OH 3.25Å; K28-Y43 WeakPolarHBondContact CE-OH 3.42Å; M31-Y43 HydrophobicContact CE-CD2 4.29Å; M31-Y43 HydrophobicContact CE-CE2 4.39Å; M31-Y43 HydrophobicContact SD-CD2 4Å; M31-Y43 HydrophobicContact SD-CE2 3.66Å; D39-Y43 WeakPolarHBondContact O-CB 3.18Å; D39-Y43 PolarHBondContact O-N 2.8Å; E41-Y43 VanDerWaalsContact C-N 3.31Å; E41-Y43 PolarHBondContact O-N 2.84Å; Y43-Q45 VanDerWaalsContact C-N 3.35Å; Y43-R46 PolarHBondContact O-N 2.89Å; Y43-L47 HydrophobicContact CE1-CD2 4.01Å; Y43-L47 WeakPolarHBondContact O-CB 3.48Å; Y43-L47 PolarHBondContact O-N 3.43Å
44	Y	95.5	Very high	96.9	Very high	108 Å²	108	68.4 Å²	68.4	42%	0.424	32%	0.324	S	S	.	.	H	α-helix	trans	-71.9	-31.1	-178.6	-74.4	-77.3	0	0	0	112.5	F40 E42 L47 R48	F40-Y44 HydrophobicContact CD1-CE2 4.36Å; F40-Y44 HydrophobicContact CD2-CE2 4.09Å; F40-Y44 HydrophobicContact CE1-CD2 4.28Å; F40-Y44 AromaticContact CE1-CE2 3.88Å; F40-Y44 HydrophobicContact CE1-CE2 3.88Å; F40-Y44 AromaticContact CE2-CE2 3.6Å; F40-Y44 HydrophobicContact CE2-CE2 3.6Å; F40-Y44 HydrophobicContact CG-CE2 4.46Å; F40-Y44 HydrophobicContact CZ-CD2 4.32Å; F40-Y44 AromaticContact CZ-CE2 3.48Å; F40-Y44 HydrophobicContact CZ-CE2 3.48Å; F40-Y44 VanDerWaalsContact CZ-CE2 3.48Å; F40-Y44 VanDerWaalsContact O-CD2 3.3Å; F40-Y44 WeakPolarHBondContact O-CD2 3.38Å; E42-Y44 PolarHBondContact O-N 3.5Å; Y44-L47 HydrophobicContact CD1-CD2 4.34Å; Y44-R48 WeakPolarHBondContact O-CB 3.29Å; Y44-R48 PolarHBondContact O-N 2.63Å; Y44-R48 VanDerWaalsContact O-N 3.08Å
45	Q	96.9	Very high	97	Very high	104 Å²	104	70.5 Å²	70.5	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-50.6	172.4	179.5	177.8	-14.3	0	0	110.8	E42 Y43 L47 R48 I49	E42-Q45 WeakPolarHBondContact O-CB 3.34Å; E42-Q45 PolarHBondContact O-N 2.81Å; E42-Q45 VanDerWaalsContact O-N 3.13Å; Y43-Q45 VanDerWaalsContact C-N 3.35Å; Q45-L47 PolarHBondContact O-N 3.08Å; Q45-R48 WeakPolarHBondContact O-CB 3.49Å; Q45-R48 PolarHBondContact O-N 2.84Å; Q45-I49 HydrophobicContact CG-CD1 3.93Å; Q45-I49 WeakPolarHBondContact O-CG1 3.2Å; Q45-I49 PolarHBondContact O-N 2.98Å
46	R	98.3	Very high	97	Very high	32 Å²	32	66.7 Å²	66.7	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-41.4	179.1	-64.6	-71.1	173.5	-144.5	-6.7	111.9	F27 Y38 E42 Y43 R48 I49 F50 D76 E81	F27-R46 HydrophobicContact CE1-CB 4.35Å; F27-R46 HydrophobicContact CE2-CB 4.21Å; F27-R46 HydrophobicContact CZ-CB 3.54Å; Y38-R46 HydrophobicContact CD1-CG 4.11Å; Y38-R46 HydrophobicContact CD2-CB 4.02Å; Y38-R46 HydrophobicContact CD2-CG 3.95Å; Y38-R46 HydrophobicContact CE1-CG 3.97Å; Y38-R46 HydrophobicContact CE2-CB 3.88Å; Y38-R46 HydrophobicContact CE2-CG 3.78Å; Y38-R46 HydrophobicContact CG-CG 4.13Å; E42-R46 HydrophobicContact CG-CG 3.66Å; E42-R46 VanDerWaalsContact O-CG 3.3Å; E42-R46 WeakPolarHBondContact O-CG 3.38Å; E42-R46 PolarHBondContact O-N 3.43Å; E42-R46 IonicContact OE1-CZ 2.89Å; E42-R46 IonicContact OE1-NE 3.47Å; E42-R46 PolarHBondContact OE1-NE 3.48Å; E42-R46 IonicContact OE1-NH2 2.76Å; E42-R46 PolarHBondContact OE1-NH2 3.33Å; Y43-R46 PolarHBondContact O-N 2.89Å; R46-R48 VanDerWaalsContact C-N 3.3Å; R46-R48 PolarHBondContact O-N 3.46Å; R46-I49 PolarHBondContact O-N 2.84Å; R46-F50 VanDerWaalsContact O-CB 3.24Å; R46-F50 WeakPolarHBondContact O-CB 3.35Å; R46-F50 PolarHBondContact O-N 2.92Å; R46-D76 HydrophobicContact CB-CB 4.31Å; R46-D76 WeakPolarHBondContact CD-O 3.38Å; R46-D76 PolarHBondContact NH1-O 2.82Å; R46-E81 IonicContact CZ-OE1 3.45Å; R46-E81 VanDerWaalsContact NH1-CD 3.35Å; R46-E81 IonicContact NH1-OE1 3.78Å; R46-E81 PolarHBondContact NH1-OE1 2.72Å; R46-E81 IonicContact NH1-OE2 3.64Å; R46-E81 PolarHBondContact NH1-OE2 2.96Å; R46-E81 IonicContact NH2-OE1 3.78Å; R46-E81 PolarHBondContact NH2-OE1 3.16Å
47	L	98.1	Very high	97.1	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-43.7	173.4	171.2	59.1	0	0	0	111.7	L19 E24 F27 Y43 Y44 Q45 T51	L19-L47 HydrophobicContact CD1-CD2 4.06Å; L19-L47 HydrophobicContact CD1-CG 4.12Å; L19-L47 HydrophobicContact CD2-CD1 4.4Å; L19-L47 HydrophobicContact CD2-CD2 4.48Å; L19-L47 HydrophobicContact CD2-CG 3.99Å; E24-L47 HydrophobicContact CB-CD2 4.37Å; E24-L47 HydrophobicContact CG-CD2 4.14Å; F27-L47 HydrophobicContact CB-CD1 3.45Å; F27-L47 VanDerWaalsContact CB-CD1 3.45Å; F27-L47 HydrophobicContact CD1-CB 3.65Å; F27-L47 HydrophobicContact CD1-CD1 3.71Å; F27-L47 HydrophobicContact CD1-CG 4.21Å; F27-L47 HydrophobicContact CE1-CB 3.79Å; F27-L47 HydrophobicContact CG-CB 4.26Å; F27-L47 HydrophobicContact CG-CD1 3.74Å; Y43-L47 HydrophobicContact CE1-CD2 4.01Å; Y43-L47 WeakPolarHBondContact O-CB 3.48Å; Y43-L47 PolarHBondContact O-N 3.43Å; Y44-L47 HydrophobicContact CD1-CD2 4.34Å; Q45-L47 PolarHBondContact O-N 3.08Å; L47-T51 WeakPolarHBondContact O-CB 3.47Å; L47-T51 PolarHBondContact O-N 3.46Å; L47-T51 PolarHBondContact O-OG1 3.03Å
48	R	97.4	Very high	97.2	Very high	133 Å²	133	62.6 Å²	62.6	50%	0.502	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-51.4	177.6	178.8	176.8	175.9	-180	-1	111.3	F17 Y44 Q45 R46 F50 T51 E52	F17-R48 HydrophobicContact CD1-CG 4.22Å; F17-R48 HydrophobicContact CE1-CG 3.8Å; F17-R48 HydrophobicContact CZ-CG 4.42Å; Y44-R48 WeakPolarHBondContact O-CB 3.29Å; Y44-R48 PolarHBondContact O-N 2.63Å; Y44-R48 VanDerWaalsContact O-N 3.08Å; Q45-R48 WeakPolarHBondContact O-CB 3.49Å; Q45-R48 PolarHBondContact O-N 2.84Å; R46-R48 VanDerWaalsContact C-N 3.3Å; R46-R48 PolarHBondContact O-N 3.46Å; R48-F50 VanDerWaalsContact C-N 3.35Å; R48-F50 PolarHBondContact O-N 3.41Å; R48-T51 PolarHBondContact O-N 3.49Å; R48-T51 VanDerWaalsContact O-N 3.16Å; R48-E52 IonicContact CZ-OE1 2.66Å; R48-E52 IonicContact NE-OE1 3.04Å; R48-E52 PolarHBondContact NE-OE1 2.83Å; R48-E52 IonicContact NH2-OE1 3.56Å; R48-E52 PolarHBondContact NH2-OE1 3.49Å; R48-E52 WeakPolarHBondContact O-CG 3.25Å; R48-E52 PolarHBondContact O-N 3.38Å
49	I	98.3	Very high	97.2	Very high	11 Å²	11	67.8 Å²	67.8	6%	0.056	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-48.1	179.3	-65.1	162.4	0	0	0	110.4	Q45 R46 T51 E52 N53 D76 M77 T78	Q45-I49 HydrophobicContact CG-CD1 3.93Å; Q45-I49 WeakPolarHBondContact O-CG1 3.2Å; Q45-I49 PolarHBondContact O-N 2.98Å; R46-I49 PolarHBondContact O-N 2.84Å; I49-T51 VanDerWaalsContact C-N 3.29Å; I49-T51 PolarHBondContact O-N 3.18Å; I49-E52 PolarHBondContact O-N 2.95Å; I49-E52 VanDerWaalsContact O-N 3.17Å; I49-N53 PolarHBondContact O-N 3.27Å; I49-D76 VanDerWaalsContact CG2-C 3.42Å; I49-D76 WeakPolarHBondContact CG2-O 3.24Å; I49-M77 WeakPolarHBondContact CG2-O 3.38Å; I49-T78 HydrophobicContact CD1-CG2 3.86Å; I49-T78 HydrophobicContact CG1-CG2 3.92Å; I49-T78 HydrophobicContact CG2-CG2 4.17Å
50	F	98.6	Very high	97.2	Very high	1 Å²	1	64.3 Å²	64.3	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-55.4	-44.4	175.6	175.1	-92.1	0	0	0	112.5	H26 F27 W30 R46 R48 N53 K54 L71 S75 D76	H26-F50 HydrophobicContact CB-CE1 4.12Å; F27-F50 HydrophobicContact CB-CD1 3.76Å; F27-F50 HydrophobicContact CB-CE1 3.99Å; F27-F50 HydrophobicContact CB-CG 4.37Å; F27-F50 HydrophobicContact CD2-CB 3.57Å; F27-F50 AromaticContact CD2-CD1 3.75Å; F27-F50 HydrophobicContact CD2-CD1 3.75Å; F27-F50 AromaticContact CD2-CD2 3.91Å; F27-F50 HydrophobicContact CD2-CD2 3.91Å; F27-F50 HydrophobicContact CD2-CE1 4.41Å; F27-F50 AromaticContact CD2-CG 3.46Å; F27-F50 HydrophobicContact CD2-CG 3.46Å; F27-F50 VanDerWaalsContact CD2-CG 3.46Å; F27-F50 HydrophobicContact CE2-CB 3.89Å; F27-F50 HydrophobicContact CE2-CD2 4.49Å; F27-F50 HydrophobicContact CE2-CG 4.18Å; F27-F50 HydrophobicContact CG-CB 4.46Å; F27-F50 HydrophobicContact CG-CD1 4.16Å; F27-F50 HydrophobicContact CG-CG 4.3Å; W30-F50 HydrophobicContact CB-CE2 3.67Å; W30-F50 HydrophobicContact CB-CZ 3.85Å; W30-F50 AromaticContact CD1-CE2 3.61Å; W30-F50 HydrophobicContact CD2-CD2 4.02Å; W30-F50 AromaticContact CD2-CE2 3.81Å; W30-F50 HydrophobicContact CD2-CE2 3.81Å; W30-F50 HydrophobicContact CE3-CD2 4.32Å; W30-F50 HydrophobicContact CE3-CE2 4.46Å; W30-F50 HydrophobicContact CG-CD2 4.09Å; W30-F50 AromaticContact CG-CE2 3.39Å; W30-F50 HydrophobicContact CG-CE2 3.39Å; W30-F50 HydrophobicContact CG-CZ 4.1Å; R46-F50 VanDerWaalsContact O-CB 3.24Å; R46-F50 WeakPolarHBondContact O-CB 3.35Å; R46-F50 PolarHBondContact O-N 2.92Å; R48-F50 VanDerWaalsContact C-N 3.35Å; R48-F50 PolarHBondContact O-N 3.41Å; F50-N53 PolarHBondContact O-N 3.29Å; F50-K54 HydrophobicContact CE1-CD 4.42Å; F50-K54 VanDerWaalsContact O-CB 3.25Å; F50-K54 WeakPolarHBondContact O-CB 3.35Å; F50-K54 PolarHBondContact O-N 3.01Å; F50-L71 HydrophobicContact CD2-CD2 4.46Å; F50-L71 HydrophobicContact CE2-CD1 4.01Å; F50-L71 HydrophobicContact CE2-CD2 3.74Å; F50-L71 HydrophobicContact CE2-CG 4.43Å; F50-L71 HydrophobicContact CZ-CD1 3.72Å; F50-L71 HydrophobicContact CZ-CD2 4.06Å; F50-S75 VanDerWaalsContact CA-O 3.27Å; F50-S75 WeakPolarHBondContact CA-O 3.13Å; F50-D76 HydrophobicContact CB-CB 4.3Å
51	T	98.2	Very high	97.5	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-38.3	179.8	-56.2	0	0	0	0	111.7	F17 L19 D23 L47 R48 I49 R55	F17-T51 HydrophobicContact CE1-CG2 4.38Å; F17-T51 HydrophobicContact CZ-CG2 3.74Å; L19-T51 HydrophobicContact CD2-CG2 4.02Å; L19-T51 WeakPolarHBondContact CD2-OG1 3.34Å; D23-T51 HydrophobicContact CB-CG2 3.97Å; L47-T51 WeakPolarHBondContact O-CB 3.47Å; L47-T51 PolarHBondContact O-N 3.46Å; L47-T51 PolarHBondContact O-OG1 3.03Å; R48-T51 PolarHBondContact O-N 3.49Å; R48-T51 VanDerWaalsContact O-N 3.16Å; I49-T51 VanDerWaalsContact C-N 3.29Å; I49-T51 PolarHBondContact O-N 3.18Å; T51-R55 WeakPolarHBondContact O-CB 3.38Å; T51-R55 VanDerWaalsContact O-CG 3.29Å; T51-R55 WeakPolarHBondContact O-CG 3.12Å; T51-R55 PolarHBondContact O-N 2.92Å
52	E	97.6	Very high	97.8	Very high	72 Å²	72	60.5 Å²	60.5	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-49.3	174.8	-72	173.8	-177	0	0	111	F17 R48 I49 K54 R55 M56	F17-E52 HydrophobicContact CD2-CG 4.24Å; F17-E52 HydrophobicContact CE1-CG 4.39Å; F17-E52 HydrophobicContact CE2-CG 3.38Å; F17-E52 HydrophobicContact CZ-CG 3.48Å; F17-E52 VanDerWaalsContact CZ-CG 3.48Å; R48-E52 IonicContact CZ-OE1 2.66Å; R48-E52 IonicContact NE-OE1 3.04Å; R48-E52 PolarHBondContact NE-OE1 2.83Å; R48-E52 IonicContact NH2-OE1 3.56Å; R48-E52 PolarHBondContact NH2-OE1 3.49Å; R48-E52 WeakPolarHBondContact O-CG 3.25Å; R48-E52 PolarHBondContact O-N 3.38Å; I49-E52 PolarHBondContact O-N 2.95Å; I49-E52 VanDerWaalsContact O-N 3.17Å; E52-K54 PolarHBondContact O-N 3.42Å; E52-R55 PolarHBondContact O-N 2.8Å; E52-M56 PolarHBondContact O-N 3.07Å
53	N	98.4	Very high	97.7	Very high	14 Å²	14	59.5 Å²	59.5	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-43.2	176.5	-72.2	-21.2	0	0	0	111.8	I49 F50 R55 M56 I57 S75 M77	I49-N53 PolarHBondContact O-N 3.27Å; F50-N53 PolarHBondContact O-N 3.29Å; N53-R55 VanDerWaalsContact C-N 3.34Å; N53-R55 PolarHBondContact O-N 3.03Å; N53-M56 WeakPolarHBondContact O-CB 3.24Å; N53-M56 PolarHBondContact O-N 3.32Å; N53-I57 WeakPolarHBondContact O-CD1 3.5Å; N53-I57 VanDerWaalsContact O-CG1 3.29Å; N53-I57 WeakPolarHBondContact O-CG1 3.29Å; N53-I57 PolarHBondContact O-N 3.46Å; N53-S75 PolarHBondContact ND2-O 3.34Å; N53-M77 PolarHBondContact ND2-O 2.86Å
54	K	98.1	Very high	97.6	Very high	35 Å²	35	66 Å²	66	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-59.8	-44.2	176.4	-169.7	-168	-178.3	-44.8	0	111.6	F50 E52 M56 I57 D58 L71	F50-K54 HydrophobicContact CE1-CD 4.42Å; F50-K54 VanDerWaalsContact O-CB 3.25Å; F50-K54 WeakPolarHBondContact O-CB 3.35Å; F50-K54 PolarHBondContact O-N 3.01Å; E52-K54 PolarHBondContact O-N 3.42Å; K54-M56 VanDerWaalsContact C-N 3.31Å; K54-M56 PolarHBondContact O-N 2.96Å; K54-I57 WeakPolarHBondContact O-CB 3.48Å; K54-I57 PolarHBondContact O-N 3.19Å; K54-D58 IonicContact NZ-OD1 2.81Å; K54-D58 PolarHBondContact NZ-OD1 3.14Å; K54-D58 IonicContact NZ-OD2 3.28Å; K54-D58 PolarHBondContact NZ-OD2 3.25Å; K54-D58 WeakPolarHBondContact O-CB 3.36Å; K54-D58 PolarHBondContact O-N 2.83Å; K54-L71 HydrophobicContact CB-CD2 4.16Å; K54-L71 HydrophobicContact CG-CD2 4.23Å
55	R	97.1	Very high	97.6	Very high	97 Å²	97	65.7 Å²	65.7	37%	0.366	32%	0.315	S	S	.	.	H	α-helix	trans	-64.6	-36.3	177.6	-73.7	175.2	-174	171.5	6.8	112	F17 Y18 D23 T51 E52 N53 K59	F17-R55 VanDerWaalsContact CD2-NH1 3.35Å; Y18-R55 PolarHBondContact O-NH2 2.68Å; Y18-R55 VanDerWaalsContact O-NH2 3.13Å; D23-R55 IonicContact OD2-NH2 3.26Å; D23-R55 PolarHBondContact OD2-NH2 3.27Å; T51-R55 WeakPolarHBondContact O-CB 3.38Å; T51-R55 VanDerWaalsContact O-CG 3.29Å; T51-R55 WeakPolarHBondContact O-CG 3.12Å; T51-R55 PolarHBondContact O-N 2.92Å; E52-R55 PolarHBondContact O-N 2.8Å; N53-R55 VanDerWaalsContact C-N 3.34Å; N53-R55 PolarHBondContact O-N 3.03Å; R55-K59 VanDerWaalsContact O-CB 3.26Å; R55-K59 WeakPolarHBondContact O-CB 3.49Å; R55-K59 PolarHBondContact O-N 3.11Å
56	M	97.2	Very high	97.5	Very high	72 Å²	72	63.4 Å²	63.4	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-48.6	172.7	-174.1	-158.5	-50.6	0	0	111.1	E52 N53 K54 K59 H60 M69	E52-M56 PolarHBondContact O-N 3.07Å; N53-M56 WeakPolarHBondContact O-CB 3.24Å; N53-M56 PolarHBondContact O-N 3.32Å; K54-M56 VanDerWaalsContact C-N 3.31Å; K54-M56 PolarHBondContact O-N 2.96Å; M56-K59 PolarHBondContact O-N 3.33Å; M56-H60 WeakPolarHBondContact O-CB 3.44Å; M56-H60 PolarHBondContact O-N 3.39Å; M56-M69 HydrophobicContact CG-CE 4.35Å; M56-M69 HydrophobicContact SD-CE 3.86Å
57	I	98.5	Very high	97.5	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-50	177.3	-69.4	161.2	0	0	0	111	N53 K54 K59 H60 N61 M69 L71 H253	N53-I57 WeakPolarHBondContact O-CD1 3.5Å; N53-I57 VanDerWaalsContact O-CG1 3.29Å; N53-I57 WeakPolarHBondContact O-CG1 3.29Å; N53-I57 PolarHBondContact O-N 3.46Å; K54-I57 WeakPolarHBondContact O-CB 3.48Å; K54-I57 PolarHBondContact O-N 3.19Å; I57-K59 VanDerWaalsContact C-N 3.35Å; I57-K59 PolarHBondContact O-N 2.99Å; I57-H60 PolarHBondContact O-N 3.28Å; I57-N61 WeakPolarHBondContact O-CB 3.43Å; I57-N61 PolarHBondContact O-N 3.41Å; I57-N61 PolarHBondContact O-ND2 2.94Å; I57-M69 HydrophobicContact CB-CB 4.27Å; I57-M69 HydrophobicContact CG1-CB 3.92Å; I57-M69 HydrophobicContact CG1-CE 3.92Å; I57-M69 HydrophobicContact CG2-CB 3.98Å; I57-L71 HydrophobicContact CD1-CD2 3.73Å; I57-L71 HydrophobicContact CD1-CG 4.41Å; I57-H253 HydrophobicContact CD1-CB 4.13Å; I57-H253 HydrophobicContact CG1-CB 4.11Å
58	D	97.9	Very high	97.5	Very high	63 Å²	63	64.3 Å²	64.3	34%	0.337	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-47.1	-179.9	-67.1	-17.8	0	0	0	110.3	K54 H60 N61 E62	K54-D58 IonicContact NZ-OD1 2.81Å; K54-D58 PolarHBondContact NZ-OD1 3.14Å; K54-D58 IonicContact NZ-OD2 3.28Å; K54-D58 PolarHBondContact NZ-OD2 3.25Å; K54-D58 WeakPolarHBondContact O-CB 3.36Å; K54-D58 PolarHBondContact O-N 2.83Å; D58-H60 PolarHBondContact O-N 3.35Å; D58-N61 PolarHBondContact O-N 3.37Å; D58-E62 WeakPolarHBondContact O-CG 3.45Å; D58-E62 PolarHBondContact O-N 2.84Å
59	K	98	Very high	97.6	Very high	162 Å²	162	58.2 Å²	58.2	70%	0.704	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-39.6	179.1	-175.1	-177.6	177.9	-172.8	0	112.8	R55 M56 I57	R55-K59 VanDerWaalsContact O-CB 3.26Å; R55-K59 WeakPolarHBondContact O-CB 3.49Å; R55-K59 PolarHBondContact O-N 3.11Å; M56-K59 PolarHBondContact O-N 3.33Å; I57-K59 VanDerWaalsContact C-N 3.35Å; I57-K59 PolarHBondContact O-N 2.99Å
60	H	97.8	Very high	97.6	Very high	28 Å²	28	58.4 Å²	58.4	13%	0.13	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-48	174.1	177.9	92.5	0	0	0	110.6	M56 I57 D58 E62 G63 H65 F67 M69	M56-H60 WeakPolarHBondContact O-CB 3.44Å; M56-H60 PolarHBondContact O-N 3.39Å; I57-H60 PolarHBondContact O-N 3.28Å; D58-H60 PolarHBondContact O-N 3.35Å; H60-E62 VanDerWaalsContact C-N 3.28Å; H60-E62 PolarHBondContact O-N 3.21Å; H60-G63 PolarHBondContact O-N 3.3Å; H60-H65 AromaticContact CE1-CD2 3.86Å; H60-H65 AromaticContact CE1-CG 3.5Å; H60-H65 AromaticContact CE1-ND1 3.79Å; H60-H65 AromaticContact ND1-CD2 3.97Å; H60-H65 AromaticContact NE2-CG 3.79Å; H60-H65 PolarHBondContact O-CD2 2.9Å; H60-F67 AromaticContact CE1-CE1 3.56Å; H60-F67 AromaticContact CE1-CE2 3.76Å; H60-F67 AromaticContact CE1-CZ 3.31Å; H60-F67 WeakPolarHBondContact CE1-CZ 3.45Å; H60-F67 AromaticContact NE2-CD2 3.94Å; H60-F67 AromaticContact NE2-CE1 3.98Å; H60-F67 AromaticContact NE2-CE2 3.69Å; H60-F67 AromaticContact NE2-CZ 3.71Å; H60-F67 PolarHBondContact NE2-O 3.13Å; H60-M69 HydrophobicContact CB-CG 4.5Å; H60-M69 HydrophobicContact CB-SD 3.53Å; H60-M69 VanDerWaalsContact CB-SD 3.53Å
61	N	98.4	Very high	97.6	Very high	68 Å²	68	61.5 Å²	61.5	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-71.2	-18.2	-177	-69.2	-20.7	0	0	0	114.1	I57 D58 G63 T68 M69	I57-N61 WeakPolarHBondContact O-CB 3.43Å; I57-N61 PolarHBondContact O-N 3.41Å; I57-N61 PolarHBondContact O-ND2 2.94Å; D58-N61 PolarHBondContact O-N 3.37Å; N61-G63 VanDerWaalsContact C-N 3.28Å; N61-T68 WeakPolarHBondContact OD1-CA 3.39Å; N61-T68 WeakPolarHBondContact OD1-CB 3.32Å; N61-M69 PolarHBondContact ND2-O 3.21Å; N61-M69 PolarHBondContact OD1-N 3.07Å
62	E	98	Very high	97.6	Very high	169 Å²	169	61.8 Å²	61.8	79%	0.79	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.2	168.8	-75.8	173.7	-178.2	0	0	112.8	D58 H60	D58-E62 WeakPolarHBondContact O-CG 3.45Å; D58-E62 PolarHBondContact O-N 2.84Å; H60-E62 VanDerWaalsContact C-N 3.28Å; H60-E62 PolarHBondContact O-N 3.21Å
63	G	95.8	Very high	97.6	Very high	41 Å²	41	60 Å²	60	42%	0.423	31%	0.31	S	S	.	.	S	Bend	trans	-82.1	177.4	178.3	0	0	0	0	0	113.7	H60 N61	H60-G63 PolarHBondContact O-N 3.3Å; N61-G63 VanDerWaalsContact C-N 3.28Å
64	N	95.3	Very high	97.6	Very high	166 Å²	166	59.6 Å²	59.6	89%	0.888	31%	0.308	S	S	*	.			trans	-101.5	92.9	173.5	-174.2	27.2	0	0	0	109.8
65	H	95.4	Very high	97.6	Very high	101 Å²	101	57.9 Å²	57.9	47%	0.468	30%	0.3	S	S	.	.			trans	-123	153.9	-177.7	-60	-82.9	0	0	0	111.1	H60 F67	H60-H65 AromaticContact CE1-CD2 3.86Å; H60-H65 AromaticContact CE1-CG 3.5Å; H60-H65 AromaticContact CE1-ND1 3.79Å; H60-H65 AromaticContact ND1-CD2 3.97Å; H60-H65 AromaticContact NE2-CG 3.79Å; H60-H65 PolarHBondContact O-CD2 2.9Å; H65-F67 WeakPolarHBondContact CB-O 3.31Å; H65-F67 PolarHBondContact O-N 3.08Å
66	S	95.9	Very high	97.7	Very high	56 Å²	56	53.4 Å²	53.4	39%	0.392	28%	0.284	S	S	.	.	S	Bend	trans	-72.8	-10	177.1	54.4	0	0	0	0	113.8	G257 V258 T260	S66-G257 CarbonylContact O-C 3.45Å; S66-G257 WeakPolarHBondContact O-CA 3.16Å; S66-V258 CarbonylContact C-O 3.58Å; S66-V258 VanDerWaalsContact CB-O 3.32Å; S66-V258 WeakPolarHBondContact CB-O 3.47Å; S66-V258 PolarHBondContact O-N 2.8Å; S66-V258 PolarHBondContact OG-O 3.35Å; S66-T260 PolarHBondContact OG-OG1 3.33Å
67	F	97.7	Very high	97.7	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.035	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.1	175.8	76.9	-79	0	0	0	111	H60 H65 M69 Y254 Q256 Y259 T260	H60-F67 AromaticContact CE1-CE1 3.56Å; H60-F67 AromaticContact CE1-CE2 3.76Å; H60-F67 AromaticContact CE1-CZ 3.31Å; H60-F67 WeakPolarHBondContact CE1-CZ 3.45Å; H60-F67 AromaticContact NE2-CD2 3.94Å; H60-F67 AromaticContact NE2-CE1 3.98Å; H60-F67 AromaticContact NE2-CE2 3.69Å; H60-F67 AromaticContact NE2-CZ 3.71Å; H60-F67 PolarHBondContact NE2-O 3.13Å; H65-F67 WeakPolarHBondContact CB-O 3.31Å; H65-F67 PolarHBondContact O-N 3.08Å; F67-M69 HydrophobicContact CD2-CG 4.42Å; F67-M69 HydrophobicContact CE2-CG 3.78Å; F67-Y254 HydrophobicContact CB-CD2 4.33Å; F67-Y254 HydrophobicContact CB-CE2 4.09Å; F67-Y254 AromaticContact CD2-CD2 3.89Å; F67-Y254 HydrophobicContact CD2-CD2 3.89Å; F67-Y254 HydrophobicContact CD2-CE2 4.48Å; F67-Y254 HydrophobicContact CG-CD2 4.39Å; F67-Q256 CarbonylContact C-O 3.06Å; F67-Q256 VanDerWaalsContact CA-O 3.24Å; F67-Q256 WeakPolarHBondContact CA-O 3.38Å; F67-Q256 WeakPolarHBondContact CB-O 3.19Å; F67-Y259 HydrophobicContact CD1-CD2 4.12Å; F67-Y259 AromaticContact CD2-CD2 4Å; F67-Y259 HydrophobicContact CD2-CD2 4Å; F67-Y259 AromaticContact CE1-CD2 3.86Å; F67-Y259 HydrophobicContact CE1-CD2 3.86Å; F67-Y259 HydrophobicContact CE1-CE2 4.14Å; F67-Y259 AromaticContact CE2-CD2 3.74Å; F67-Y259 HydrophobicContact CE2-CD2 3.74Å; F67-Y259 HydrophobicContact CE2-CE2 4Å; F67-Y259 HydrophobicContact CG-CD2 4.18Å; F67-Y259 AromaticContact CZ-CD2 3.66Å; F67-Y259 HydrophobicContact CZ-CD2 3.66Å; F67-Y259 AromaticContact CZ-CE2 3.68Å; F67-Y259 HydrophobicContact CZ-CE2 3.68Å; F67-T260 WeakPolarHBondContact CE1-O 3.49Å
68	T	98.5	Very high	97.7	Very high	46 Å²	46	53.2 Å²	53.2	28%	0.282	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	153	174.7	56.6	0	0	0	0	110.2	N61 H255 Q256	N61-T68 WeakPolarHBondContact OD1-CA 3.39Å; N61-T68 WeakPolarHBondContact OD1-CB 3.32Å; T68-H255 PolarHBondContact O-N 2.89Å; T68-Q256 PolarHBondContact N-O 3.08Å; T68-Q256 PolarHBondContact O-N 3.25Å; T68-Q256 WeakPolarHBondContact OG1-CG 3.41Å; T68-Q256 PolarHBondContact OG1-O 3.08Å
69	M	98.8	Very high	97.7	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	158.2	173.5	-62.3	166	70.7	0	0	110.5	M56 I57 H60 N61 F67 D250 H253	M56-M69 HydrophobicContact CG-CE 4.35Å; M56-M69 HydrophobicContact SD-CE 3.86Å; I57-M69 HydrophobicContact CB-CB 4.27Å; I57-M69 HydrophobicContact CG1-CB 3.92Å; I57-M69 HydrophobicContact CG1-CE 3.92Å; I57-M69 HydrophobicContact CG2-CB 3.98Å; H60-M69 HydrophobicContact CB-CG 4.5Å; H60-M69 HydrophobicContact CB-SD 3.53Å; H60-M69 VanDerWaalsContact CB-SD 3.53Å; N61-M69 PolarHBondContact ND2-O 3.21Å; N61-M69 PolarHBondContact OD1-N 3.07Å; F67-M69 HydrophobicContact CD2-CG 4.42Å; F67-M69 HydrophobicContact CE2-CG 3.78Å; M69-D250 HydrophobicContact CE-CB 4.31Å; M69-D250 HydrophobicContact SD-CB 4.44Å; M69-H253 CarbonylContact C-O 3.53Å; M69-H253 WeakPolarHBondContact CA-O 3.31Å; M69-H253 HydrophobicContact CB-CB 4.18Å; M69-H253 WeakPolarHBondContact CB-O 3.46Å; M69-H253 HydrophobicContact CE-CB 3.6Å; M69-H253 HydrophobicContact CG-CB 4.46Å
70	G	98.4	Very high	97.7	Very high	15 Å²	15	49.4 Å²	49.4	16%	0.155	27%	0.271	C	S	.	.			trans	-147.5	157.9	-178.9	0	0	0	0	0	112.4	H253	G70-H253 PolarHBondContact N-O 3.23Å
71	L	98.4	Very high	97.7	Very high	65 Å²	65	50.2 Å²	50.2	34%	0.34	27%	0.274	S	S	.	.			trans	-70.2	133.6	170.3	-64.8	174.4	0	0	0	109.5	F50 K54 I57 S75	F50-L71 HydrophobicContact CD2-CD2 4.46Å; F50-L71 HydrophobicContact CE2-CD1 4.01Å; F50-L71 HydrophobicContact CE2-CD2 3.74Å; F50-L71 HydrophobicContact CE2-CG 4.43Å; F50-L71 HydrophobicContact CZ-CD1 3.72Å; F50-L71 HydrophobicContact CZ-CD2 4.06Å; K54-L71 HydrophobicContact CB-CD2 4.16Å; K54-L71 HydrophobicContact CG-CD2 4.23Å; I57-L71 HydrophobicContact CD1-CD2 3.73Å; I57-L71 HydrophobicContact CD1-CG 4.41Å; L71-S75 VanDerWaalsContact CA-OG 3.29Å; L71-S75 WeakPolarHBondContact CA-OG 3.41Å; L71-S75 WeakPolarHBondContact CD2-OG 3.32Å
72	N	98.3	Very high	97.7	Very high	7 Å²	7	47 Å²	47	4%	0.037	26%	0.257	C	S	.	.			trans	-142.1	-174.3	-179	62.4	21.9	0	0	0	110.4	W30 Y34 F74 S75 M252	W30-N72 WeakPolarHBondContact CZ2-O 3.31Å; W30-N72 PolarHBondContact NE1-O 3.44Å; Y34-N72 WeakPolarHBondContact OH-CA 3.34Å; N72-F74 PolarHBondContact O-N 2.85Å; N72-F74 VanDerWaalsContact O-N 3.08Å; N72-F74 WeakPolarHBondContact OD1-CB 3.3Å; N72-F74 PolarHBondContact OD1-N 3.13Å; N72-F74 VanDerWaalsContact OD1-N 3.13Å; N72-S75 PolarHBondContact N-OG 3.5Å; N72-S75 WeakPolarHBondContact O-CB 3.36Å; N72-S75 PolarHBondContact O-N 2.86Å; N72-S75 VanDerWaalsContact O-N 3.07Å; N72-S75 PolarHBondContact O-OG 3.44Å; N72-S75 VanDerWaalsContact O-OG 3.08Å; N72-M252 PolarHBondContact ND2-O 3.38Å
73	E	97.4	Very high	97.7	Very high	34 Å²	34	44.2 Å²	44.2	16%	0.159	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.5	-177.7	65.7	-86.2	-160.2	0	0	114.4	Y34 W295	Y34-E73 HydrophobicContact CD1-CB 3.61Å; Y34-E73 HydrophobicContact CE1-CB 3.75Å; Y34-E73 HydrophobicContact CG-CB 4.49Å; E73-W295 VanDerWaalsContact OE1-O 3.06Å
74	F	98.3	Very high	97.7	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.026	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.6	179	-46.8	-57.3	0	0	0	113	N72 D76 M77 F82 F86 M252 W295 W299	N72-F74 PolarHBondContact O-N 2.85Å; N72-F74 VanDerWaalsContact O-N 3.08Å; N72-F74 WeakPolarHBondContact OD1-CB 3.3Å; N72-F74 PolarHBondContact OD1-N 3.13Å; N72-F74 VanDerWaalsContact OD1-N 3.13Å; F74-D76 PolarHBondContact O-N 3.3Å; F74-M77 HydrophobicContact CD1-SD 4.23Å; F74-M77 WeakPolarHBondContact O-CB 3.45Å; F74-M77 PolarHBondContact O-N 3.36Å; F74-F82 HydrophobicContact CB-CD2 4.1Å; F74-F82 HydrophobicContact CB-CE2 4.31Å; F74-F82 AromaticContact CD1-CD2 3.77Å; F74-F82 HydrophobicContact CD1-CD2 3.77Å; F74-F82 AromaticContact CD1-CE2 3.63Å; F74-F82 HydrophobicContact CD1-CE2 3.63Å; F74-F82 HydrophobicContact CD2-CD2 4.34Å; F74-F82 AromaticContact CD2-CE2 3.7Å; F74-F82 HydrophobicContact CD2-CE2 3.7Å; F74-F82 HydrophobicContact CE1-CD2 4.3Å; F74-F82 AromaticContact CE1-CE2 3.79Å; F74-F82 HydrophobicContact CE1-CE2 3.79Å; F74-F82 AromaticContact CE2-CE2 3.85Å; F74-F82 HydrophobicContact CE2-CE2 3.85Å; F74-F82 AromaticContact CG-CD2 3.8Å; F74-F82 HydrophobicContact CG-CD2 3.8Å; F74-F82 AromaticContact CG-CE2 3.59Å; F74-F82 HydrophobicContact CG-CE2 3.59Å; F74-F82 AromaticContact CZ-CE2 3.9Å; F74-F82 HydrophobicContact CZ-CE2 3.9Å; F74-F86 HydrophobicContact CD1-CE2 4.18Å; F74-F86 HydrophobicContact CD1-CZ 4.16Å; F74-F86 HydrophobicContact CE1-CD1 4.12Å; F74-F86 HydrophobicContact CE1-CD2 4.43Å; F74-F86 AromaticContact CE1-CE1 3.68Å; F74-F86 HydrophobicContact CE1-CE1 3.68Å; F74-F86 HydrophobicContact CE1-CE2 4.05Å; F74-F86 HydrophobicContact CE1-CG 4.48Å; F74-F86 AromaticContact CE1-CZ 3.66Å; F74-F86 HydrophobicContact CE1-CZ 3.66Å; F74-F86 HydrophobicContact CZ-CE1 4.4Å; F74-M252 HydrophobicContact CB-CG 3.89Å; F74-M252 HydrophobicContact CB-SD 4.15Å; F74-M252 HydrophobicContact CD2-CG 4.3Å; F74-M252 HydrophobicContact CG-CG 4.36Å; F74-W295 HydrophobicContact CE2-CB 4.1Å; F74-W295 HydrophobicContact CE2-CD2 4.17Å; F74-W295 AromaticContact CE2-CE3 3.98Å; F74-W295 HydrophobicContact CE2-CE3 3.98Å; F74-W295 HydrophobicContact CE2-CG 4.22Å; F74-W295 HydrophobicContact CZ-CB 3.97Å; F74-W295 HydrophobicContact CZ-CD2 4.37Å; F74-W295 HydrophobicContact CZ-CG 4.08Å; F74-W299 AromaticContact CE2-CD1 3.76Å
75	S	98.4	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18	-171.4	-68	0	0	0	0	115.3	F50 N53 L71 N72	F50-S75 VanDerWaalsContact CA-O 3.27Å; F50-S75 WeakPolarHBondContact CA-O 3.13Å; N53-S75 PolarHBondContact ND2-O 3.34Å; L71-S75 VanDerWaalsContact CA-OG 3.29Å; L71-S75 WeakPolarHBondContact CA-OG 3.41Å; L71-S75 WeakPolarHBondContact CD2-OG 3.32Å; N72-S75 PolarHBondContact N-OG 3.5Å; N72-S75 WeakPolarHBondContact O-CB 3.36Å; N72-S75 PolarHBondContact O-N 2.86Å; N72-S75 VanDerWaalsContact O-N 3.07Å; N72-S75 PolarHBondContact O-OG 3.44Å; N72-S75 VanDerWaalsContact O-OG 3.08Å
76	D	98.4	Very high	97.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.011	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	14.2	175.4	71.8	-17.5	0	0	0	114.4	F27 W30 Y38 R46 I49 F50 F74	F27-D76 HydrophobicContact CE2-CB 4.1Å; W30-D76 HydrophobicContact CH2-CB 3.7Å; W30-D76 VanDerWaalsContact CH2-OD1 3.31Å; W30-D76 WeakPolarHBondContact CH2-OD1 3.3Å; W30-D76 WeakPolarHBondContact CH2-OD2 3.39Å; W30-D76 HydrophobicContact CZ2-CB 4.42Å; W30-D76 HydrophobicContact CZ3-CB 3.81Å; W30-D76 VanDerWaalsContact CZ3-OD2 3.28Å; W30-D76 WeakPolarHBondContact CZ3-OD2 3.4Å; Y38-D76 WeakPolarHBondContact CE2-OD2 3.47Å; Y38-D76 PolarHBondContact OH-OD2 3.11Å; R46-D76 HydrophobicContact CB-CB 4.31Å; R46-D76 WeakPolarHBondContact CD-O 3.38Å; R46-D76 PolarHBondContact NH1-O 2.82Å; I49-D76 VanDerWaalsContact CG2-C 3.42Å; I49-D76 WeakPolarHBondContact CG2-O 3.24Å; F50-D76 HydrophobicContact CB-CB 4.3Å; F74-D76 PolarHBondContact O-N 3.3Å
77	M	98.5	Very high	97.9	Very high	24 Å²	24	37.4 Å²	37.4	12%	0.118	19%	0.187	C	C	.	.	S	Bend	trans	-104.3	141	175.2	-57.6	-173.2	72.6	0	0	110.9	I49 N53 F74 E81 F86	I49-M77 WeakPolarHBondContact CG2-O 3.38Å; N53-M77 PolarHBondContact ND2-O 2.86Å; F74-M77 HydrophobicContact CD1-SD 4.23Å; F74-M77 WeakPolarHBondContact O-CB 3.45Å; F74-M77 PolarHBondContact O-N 3.36Å; M77-E81 HydrophobicContact CB-CB 4.46Å; M77-E81 HydrophobicContact CE-CB 3.78Å; M77-F86 HydrophobicContact CE-CD2 4.47Å; M77-F86 HydrophobicContact CE-CE2 3.86Å; M77-F86 HydrophobicContact SD-CE2 3.79Å
78	T	98.6	Very high	97.8	Very high	51 Å²	51	37.2 Å²	37.2	31%	0.313	19%	0.187	S	C	.	.			trans	-70.1	153.4	161.2	62.6	0	0	0	0	109.3	I49 N80 E81 F82	I49-T78 HydrophobicContact CD1-CG2 3.86Å; I49-T78 HydrophobicContact CG1-CG2 3.92Å; I49-T78 HydrophobicContact CG2-CG2 4.17Å; T78-N80 PolarHBondContact O-N 2.98Å; T78-N80 VanDerWaalsContact O-N 3.14Å; T78-E81 WeakPolarHBondContact CB-OE2 3.45Å; T78-E81 PolarHBondContact N-OE2 2.76Å; T78-E81 PolarHBondContact O-N 3.35Å; T78-E81 VanDerWaalsContact O-N 3.09Å; T78-E81 VanDerWaalsContact OG1-CG 3.28Å; T78-E81 WeakPolarHBondContact OG1-CG 3.37Å; T78-E81 PolarHBondContact OG1-N 3.27Å; T78-E81 PolarHBondContact OG1-OE2 2.89Å; T78-F82 PolarHBondContact O-N 3.2Å
79	F	98.1	Very high	97.3	Very high	53 Å²	53	38 Å²	38	23%	0.232	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-28.6	176.6	-175.3	-115.7	0	0	0	113	F82 R83 L87 V247 T248 M252	F79-F82 HydrophobicContact CD2-CD1 4.2Å; F79-F82 HydrophobicContact CE2-CD1 4.06Å; F79-F82 PolarHBondContact O-N 3.2Å; F79-R83 VanDerWaalsContact O-CB 3.23Å; F79-R83 WeakPolarHBondContact O-CB 3.19Å; F79-R83 PolarHBondContact O-N 3.07Å; F79-L87 HydrophobicContact CE2-CD1 4.22Å; F79-L87 HydrophobicContact CZ-CD1 4.07Å; F79-V247 HydrophobicContact CE2-CG1 4.15Å; F79-V247 WeakPolarHBondContact CZ-O 3.47Å; F79-T248 VanDerWaalsContact CE2-C 3.5Å; F79-M252 HydrophobicContact CD2-SD 4.27Å
80	N	97.9	Very high	96.2	Very high	92 Å²	92	42.5 Å²	42.5	49%	0.492	22%	0.215	S	C	.	.	H	α-helix	trans	-71.4	-38.5	176.2	-175	60.1	0	0	0	112.8	T78 K84	T78-N80 PolarHBondContact O-N 2.98Å; T78-N80 VanDerWaalsContact O-N 3.14Å; N80-K84 VanDerWaalsContact O-CG 3.31Å; N80-K84 WeakPolarHBondContact O-CG 3.48Å; N80-K84 PolarHBondContact O-N 2.85Å
81	E	97.9	Very high	95.3	Very high	45 Å²	45	46.9 Å²	46.9	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-46.8	170.8	-71.3	165	127.2	0	0	110.2	R46 M77 T78 R83 K84 S85	R46-E81 IonicContact CZ-OE1 3.45Å; R46-E81 VanDerWaalsContact NH1-CD 3.35Å; R46-E81 IonicContact NH1-OE1 3.78Å; R46-E81 PolarHBondContact NH1-OE1 2.72Å; R46-E81 IonicContact NH1-OE2 3.64Å; R46-E81 PolarHBondContact NH1-OE2 2.96Å; R46-E81 IonicContact NH2-OE1 3.78Å; R46-E81 PolarHBondContact NH2-OE1 3.16Å; M77-E81 HydrophobicContact CB-CB 4.46Å; M77-E81 HydrophobicContact CE-CB 3.78Å; T78-E81 WeakPolarHBondContact CB-OE2 3.45Å; T78-E81 PolarHBondContact N-OE2 2.76Å; T78-E81 PolarHBondContact O-N 3.35Å; T78-E81 VanDerWaalsContact O-N 3.09Å; T78-E81 VanDerWaalsContact OG1-CG 3.28Å; T78-E81 WeakPolarHBondContact OG1-CG 3.37Å; T78-E81 PolarHBondContact OG1-N 3.27Å; T78-E81 PolarHBondContact OG1-OE2 2.89Å; E81-R83 PolarHBondContact O-N 2.89Å; E81-K84 PolarHBondContact O-N 3.05Å; E81-S85 PolarHBondContact O-N 2.9Å; E81-S85 PolarHBondContact O-OG 3.46Å
82	F	98.4	Very high	94.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-48.8	177.8	-180	-94.6	0	0	0	111.7	F74 T78 F79 K84 S85 F86 L87 V247 M252 W295	F74-F82 HydrophobicContact CB-CD2 4.1Å; F74-F82 HydrophobicContact CB-CE2 4.31Å; F74-F82 AromaticContact CD1-CD2 3.77Å; F74-F82 HydrophobicContact CD1-CD2 3.77Å; F74-F82 AromaticContact CD1-CE2 3.63Å; F74-F82 HydrophobicContact CD1-CE2 3.63Å; F74-F82 HydrophobicContact CD2-CD2 4.34Å; F74-F82 AromaticContact CD2-CE2 3.7Å; F74-F82 HydrophobicContact CD2-CE2 3.7Å; F74-F82 HydrophobicContact CE1-CD2 4.3Å; F74-F82 AromaticContact CE1-CE2 3.79Å; F74-F82 HydrophobicContact CE1-CE2 3.79Å; F74-F82 AromaticContact CE2-CE2 3.85Å; F74-F82 HydrophobicContact CE2-CE2 3.85Å; F74-F82 AromaticContact CG-CD2 3.8Å; F74-F82 HydrophobicContact CG-CD2 3.8Å; F74-F82 AromaticContact CG-CE2 3.59Å; F74-F82 HydrophobicContact CG-CE2 3.59Å; F74-F82 AromaticContact CZ-CE2 3.9Å; F74-F82 HydrophobicContact CZ-CE2 3.9Å; T78-F82 PolarHBondContact O-N 3.2Å; F79-F82 HydrophobicContact CD2-CD1 4.2Å; F79-F82 HydrophobicContact CE2-CD1 4.06Å; F79-F82 PolarHBondContact O-N 3.2Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 PolarHBondContact O-N 2.76Å; F82-S85 PolarHBondContact O-N 2.99Å; F82-S85 VanDerWaalsContact O-N 3.13Å; F82-F86 HydrophobicContact CD2-CB 4.26Å; F82-F86 AromaticContact CD2-CD2 3.56Å; F82-F86 HydrophobicContact CD2-CD2 3.56Å; F82-F86 HydrophobicContact CD2-CE2 4.19Å; F82-F86 HydrophobicContact CD2-CG 4.07Å; F82-F86 HydrophobicContact CE1-CB 4.25Å; F82-F86 HydrophobicContact CE2-CB 3.92Å; F82-F86 AromaticContact CE2-CD2 3.84Å; F82-F86 HydrophobicContact CE2-CD2 3.84Å; F82-F86 AromaticContact CE2-CG 3.87Å; F82-F86 HydrophobicContact CE2-CG 3.87Å; F82-F86 HydrophobicContact CG-CD2 4.17Å; F82-F86 HydrophobicContact CZ-CB 3.92Å; F82-F86 HydrophobicContact CZ-CG 4.37Å; F82-F86 WeakPolarHBondContact O-CB 3.3Å; F82-F86 WeakPolarHBondContact O-CD2 3.5Å; F82-F86 PolarHBondContact O-N 2.83Å; F82-L87 HydrophobicContact CD1-CD1 4.19Å; F82-L87 HydrophobicContact CD1-CG 4.17Å; F82-L87 HydrophobicContact CE1-CD1 4.15Å; F82-L87 HydrophobicContact CE1-CD2 3.86Å; F82-L87 HydrophobicContact CE1-CG 3.92Å; F82-V247 HydrophobicContact CE1-CG1 4.19Å; F82-M252 HydrophobicContact CB-SD 3.41Å; F82-M252 WeakPolarHBondContact CB-SD 3.35Å; F82-M252 HydrophobicContact CD1-CG 4.21Å; F82-M252 HydrophobicContact CD1-SD 3.86Å; F82-M252 HydrophobicContact CD2-CG 3.85Å; F82-M252 HydrophobicContact CD2-SD 3.57Å; F82-M252 VanDerWaalsContact CD2-SD 3.57Å; F82-M252 HydrophobicContact CE1-CG 4.29Å; F82-M252 HydrophobicContact CE2-CG 3.95Å; F82-M252 HydrophobicContact CE2-SD 4.28Å; F82-M252 HydrophobicContact CG-CG 3.99Å; F82-M252 HydrophobicContact CG-SD 3.32Å; F82-M252 WeakPolarHBondContact CG-SD 3.28Å; F82-M252 HydrophobicContact CZ-CG 4.17Å; F82-W295 HydrophobicContact CE1-CH2 4.11Å; F82-W295 HydrophobicContact CE1-CZ2 4.14Å; F82-W295 HydrophobicContact CZ-CD2 4.35Å; F82-W295 AromaticContact CZ-CE2 3.96Å; F82-W295 HydrophobicContact CZ-CE3 4.34Å; F82-W295 AromaticContact CZ-CH2 3.68Å; F82-W295 HydrophobicContact CZ-CH2 3.68Å; F82-W295 AromaticContact CZ-CZ2 3.63Å; F82-W295 HydrophobicContact CZ-CZ2 3.63Å; F82-W295 HydrophobicContact CZ-CZ3 4.03Å
83	R	97.1	Very high	93.6	Very high	110 Å²	110	49.2 Å²	49.2	42%	0.415	25%	0.253	S	S	.	.	H	α-helix	trans	-56.9	-42.3	178.1	177.7	176.3	177.1	141.2	3.9	112.5	F79 E81 S85 L87	F79-R83 VanDerWaalsContact O-CB 3.23Å; F79-R83 WeakPolarHBondContact O-CB 3.19Å; F79-R83 PolarHBondContact O-N 3.07Å; E81-R83 PolarHBondContact O-N 2.89Å; R83-S85 VanDerWaalsContact C-N 3.29Å; R83-S85 PolarHBondContact O-N 2.93Å; R83-L87 HydrophobicContact CB-CD1 4.08Å; R83-L87 HydrophobicContact CG-CB 4.28Å; R83-L87 HydrophobicContact CG-CD1 4.12Å; R83-L87 WeakPolarHBondContact O-CB 3.31Å; R83-L87 PolarHBondContact O-N 3.17Å
84	K	96.3	Very high	92.3	Very high	156 Å²	156	48.2 Å²	48.2	68%	0.678	25%	0.25	S	C	*	.	H	α-helix	trans	-68.7	-27.2	-179.5	-74.9	176.7	179.8	-172.8	0	113.4	N80 E81 F82	N80-K84 VanDerWaalsContact O-CG 3.31Å; N80-K84 WeakPolarHBondContact O-CG 3.48Å; N80-K84 PolarHBondContact O-N 2.85Å; E81-K84 PolarHBondContact O-N 3.05Å; F82-K84 VanDerWaalsContact C-N 3.3Å; F82-K84 PolarHBondContact O-N 2.76Å
85	S	95.5	Very high	90.3	Very high	42 Å²	42	52 Å²	52	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-101.4	-29.8	-174.1	-64.6	0	0	0	0	113.9	E81 F82 R83 A129 C130	E81-S85 PolarHBondContact O-N 2.9Å; E81-S85 PolarHBondContact O-OG 3.46Å; F82-S85 PolarHBondContact O-N 2.99Å; F82-S85 VanDerWaalsContact O-N 3.13Å; R83-S85 VanDerWaalsContact C-N 3.29Å; R83-S85 PolarHBondContact O-N 2.93Å; S85-A129 CarbonylContact O-C 3.51Å; S85-A129 WeakPolarHBondContact O-CA 3.25Å; S85-C130 CarbonylContact O-C 3.53Å; S85-C130 WeakPolarHBondContact O-CA 3.22Å; S85-C130 PolarHBondContact O-N 2.85Å
86	F	97.9	Very high	88.5	Confident	20 Å²	20	53 Å²	53	9%	0.088	29%	0.285	C	S	.	.	H	α-helix	trans	-122.4	-16.4	-167.8	-62.9	-86.5	0	0	0	114.4	F74 M77 F82 Q127 G128 A129	F74-F86 HydrophobicContact CD1-CE2 4.18Å; F74-F86 HydrophobicContact CD1-CZ 4.16Å; F74-F86 HydrophobicContact CE1-CD1 4.12Å; F74-F86 HydrophobicContact CE1-CD2 4.43Å; F74-F86 AromaticContact CE1-CE1 3.68Å; F74-F86 HydrophobicContact CE1-CE1 3.68Å; F74-F86 HydrophobicContact CE1-CE2 4.05Å; F74-F86 HydrophobicContact CE1-CG 4.48Å; F74-F86 AromaticContact CE1-CZ 3.66Å; F74-F86 HydrophobicContact CE1-CZ 3.66Å; F74-F86 HydrophobicContact CZ-CE1 4.4Å; M77-F86 HydrophobicContact CE-CD2 4.47Å; M77-F86 HydrophobicContact CE-CE2 3.86Å; M77-F86 HydrophobicContact SD-CE2 3.79Å; F82-F86 HydrophobicContact CD2-CB 4.26Å; F82-F86 AromaticContact CD2-CD2 3.56Å; F82-F86 HydrophobicContact CD2-CD2 3.56Å; F82-F86 HydrophobicContact CD2-CE2 4.19Å; F82-F86 HydrophobicContact CD2-CG 4.07Å; F82-F86 HydrophobicContact CE1-CB 4.25Å; F82-F86 HydrophobicContact CE2-CB 3.92Å; F82-F86 AromaticContact CE2-CD2 3.84Å; F82-F86 HydrophobicContact CE2-CD2 3.84Å; F82-F86 AromaticContact CE2-CG 3.87Å; F82-F86 HydrophobicContact CE2-CG 3.87Å; F82-F86 HydrophobicContact CG-CD2 4.17Å; F82-F86 HydrophobicContact CZ-CB 3.92Å; F82-F86 HydrophobicContact CZ-CG 4.37Å; F82-F86 WeakPolarHBondContact O-CB 3.3Å; F82-F86 WeakPolarHBondContact O-CD2 3.5Å; F82-F86 PolarHBondContact O-N 2.83Å; F86-Q127 PolarHBondContact O-NE2 2.98Å; F86-G128 WeakPolarHBondContact CD1-O 3.42Å; F86-G128 VanDerWaalsContact CE1-C 3.44Å; F86-G128 WeakPolarHBondContact CE1-O 3.16Å; F86-A129 HydrophobicContact CZ-CB 4.28Å
87	L	97.6	Very high	86.9	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	32%	0.32	C	S	.	.	S	Bend	trans	-107.1	165.1	-177.5	-57	-175.6	0	0	0	111.2	F79 F82 R83 S89 V247 H273 W295	F79-L87 HydrophobicContact CE2-CD1 4.22Å; F79-L87 HydrophobicContact CZ-CD1 4.07Å; F82-L87 HydrophobicContact CD1-CD1 4.19Å; F82-L87 HydrophobicContact CD1-CG 4.17Å; F82-L87 HydrophobicContact CE1-CD1 4.15Å; F82-L87 HydrophobicContact CE1-CD2 3.86Å; F82-L87 HydrophobicContact CE1-CG 3.92Å; R83-L87 HydrophobicContact CB-CD1 4.08Å; R83-L87 HydrophobicContact CG-CB 4.28Å; R83-L87 HydrophobicContact CG-CD1 4.12Å; R83-L87 WeakPolarHBondContact O-CB 3.31Å; R83-L87 PolarHBondContact O-N 3.17Å; L87-S89 PolarHBondContact O-N 2.91Å; L87-V247 HydrophobicContact CD1-CB 4.08Å; L87-V247 HydrophobicContact CD1-CG1 4.07Å; L87-V247 HydrophobicContact CD2-CB 4.01Å; L87-V247 HydrophobicContact CD2-CG1 4.16Å; L87-V247 HydrophobicContact CD2-CG2 4.18Å; L87-H273 HydrophobicContact CD2-CB 4.09Å; L87-W295 HydrophobicContact CD2-CZ2 4.19Å
88	L	94.9	Very high	85.8	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	35%	0.353	C	S	.	.			trans	-63.5	126.8	174.3	-49.8	174.4	0	0	0	109	Q92 G131 N272	L88-Q92 HydrophobicContact CD1-CG 3.89Å; L88-G131 WeakPolarHBondContact CD2-O 3.22Å; L88-N272 VanDerWaalsContact CG-O 3.28Å; L88-N272 WeakPolarHBondContact CG-O 3.32Å; L88-N272 PolarHBondContact N-O 3.42Å
89	S	88.3	Confident	84.9	Confident	63 Å²	63	65 Å²	65	44%	0.441	35%	0.349	S	S	.	.	S	Bend	trans	-83.9	-25.7	-178.4	56.6	0	0	0	0	112.5	L87 N174	L87-S89 PolarHBondContact O-N 2.91Å; S89-N174 PolarHBondContact N-O 2.82Å; S89-N174 WeakPolarHBondContact OG-CA 3.43Å; S89-N174 VanDerWaalsContact OG-CB 3.3Å; S89-N174 WeakPolarHBondContact OG-CB 3.46Å; S89-N174 PolarHBondContact OG-O 2.71Å; S89-N174 VanDerWaalsContact OG-O 3.05Å
90	E	76.2	Confident	84.4	Confident	101 Å²	101	65.1 Å²	65.1	47%	0.472	36%	0.356	S	S	.	.	S	Bend	trans	-113	138.7	178.5	-61	-167	164.7	0	0	111.4	Q92	E90-Q92 PolarHBondContact O-N 3.32Å; E90-Q92 PolarHBondContact O-NE2 3.03Å
91	P	78	Confident	84.1	Confident	106 Å²	106	61.4 Å²	61.4	69%	0.688	34%	0.335	S	S	*	.			trans	-56.4	125.6	169	-21.2	32.3	0	0	0	109.9
92	Q	81.7	Confident	83.6	Confident	13 Å²	13	66.7 Å²	66.7	6%	0.061	36%	0.364	C	S	.	.			trans	-89.9	148.3	179.3	-59.1	-57.6	-59.8	0	0	110.8	L88 E90 C94 L177	L88-Q92 HydrophobicContact CD1-CG 3.89Å; E90-Q92 PolarHBondContact O-N 3.32Å; E90-Q92 PolarHBondContact O-NE2 3.03Å; Q92-C94 VanDerWaalsContact C-N 3.34Å; Q92-C94 PolarHBondContact O-N 2.93Å; Q92-L177 HydrophobicContact CB-CD1 3.85Å; Q92-L177 HydrophobicContact CB-CD2 3.72Å; Q92-L177 HydrophobicContact CB-CG 3.64Å; Q92-L177 HydrophobicContact CG-CD2 4.29Å; Q92-L177 HydrophobicContact CG-CG 4.24Å
93	N	79.3	Confident	83	Confident	108 Å²	108	68 Å²	68	58%	0.578	37%	0.373	S	S	*	.			trans	-80.9	81.7	179.3	-169.1	-1.4	0	0	0	111	S95 L177	N93-S95 PolarHBondContact O-N 3.19Å; N93-L177 VanDerWaalsContact O-CD1 3.24Å; N93-L177 WeakPolarHBondContact O-CD1 3.06Å
94	C	71.8	Confident	82.3	Confident	14 Å²	14	66 Å²	66	10%	0.095	38%	0.376	C	S	.	.			trans	-66.5	76.4	171	-79.1	0	0	0	0	110.6	Q92 A96 T268 C319	Q92-C94 VanDerWaalsContact C-N 3.34Å; Q92-C94 PolarHBondContact O-N 2.93Å; C94-A96 PolarHBondContact O-N 3.39Å; C94-T268 HydrophobicContact CB-CG2 4Å; C94-C319 HydrophobicContact CB-CB 3.41Å; C94-C319 VanDerWaalsContact CB-CB 3.41Å; C94-C319 WeakPolarHBondContact CB-SG 3.36Å; C94-C319 WeakPolarHBondContact SG-CB 3.39Å; C94-C319 CovalentContact SG-SG 2.03Å; C94-C319 PolarHBondContact SG-SG 2.78Å
95	S	55.8	Low	81.4	Confident	86 Å²	86	65.5 Å²	65.5	60%	0.601	38%	0.381	S	S	*	.			trans	-84.5	-3.3	-158.1	-167.5	0	0	0	0	116.3	N93 T97	N93-S95 PolarHBondContact O-N 3.19Å; S95-T97 PolarHBondContact O-N 2.86Å
96	A	60.7	Low	80.7	Confident	19 Å²	19	64.9 Å²	64.9	16%	0.157	38%	0.381	C	S	.	.			trans	-88.3	68	-172.8	0	0	0	0	0	113.8	C94 K98 N222 A225	C94-A96 PolarHBondContact O-N 3.39Å; A96-K98 PolarHBondContact O-N 3.08Å; A96-N222 HydrophobicContact CB-CB 3.96Å; A96-A225 WeakPolarHBondContact O-CB 3.36Å; A96-A225 PolarHBondContact O-N 2.82Å
97	T	63.6	Low	80.2	Confident	123 Å²	123	70.5 Å²	70.5	76%	0.755	42%	0.419	S	S	*	.	S	Bend	trans	-59	-23.6	164.9	49.4	0	0	0	0	112.3	S95	S95-T97 PolarHBondContact O-N 2.86Å
98	K	75.3	Confident	80	Confident	187 Å²	187	72.2 Å²	72.2	81%	0.813	43%	0.427	S	S	*	.	S	Bend	trans	-130.7	114.9	164.1	-70	-176.1	178.8	-179.4	0	109.2	A96	A96-K98 PolarHBondContact O-N 3.08Å
99	G	80.3	Confident	80	Confident	21 Å²	21	75.2 Å²	75.2	22%	0.216	45%	0.447	C	S	.	.			trans	-79.9	165.3	175.3	0	0	0	0	0	112.7	N222 T224	G99-N222 CarbonylContact C-O 3.59Å; G99-N222 WeakPolarHBondContact CA-O 3.47Å; G99-T224 PolarHBondContact N-OG1 2.96Å
100	S	88.8	Confident	80.3	Confident	55 Å²	55	79.1 Å²	79.1	39%	0.385	46%	0.463	S	S	.	.	S	Bend	trans	-93	-8.6	173.8	62	0	0	0	0	113	V220 R221 N222	S100-V220 PolarHBondContact OG-O 2.8Å; S100-R221 PolarHBondContact O-NH1 2.8Å; S100-N222 PolarHBondContact N-O 3.1Å; S100-N222 PolarHBondContact OG-N 3.47Å
101	Y	90	Very high	81.3	Confident	14 Å²	14	78 Å²	78	6%	0.055	47%	0.467	C	S	.	.			trans	-82.6	131.1	176.1	-170.9	-110.3	0	0	0	111.2	N222 I223 D233 A234 F322	Y101-N222 WeakPolarHBondContact CB-O 3.2Å; Y101-N222 PolarHBondContact N-O 2.64Å; Y101-I223 HydrophobicContact CD1-CG1 4.08Å; Y101-I223 HydrophobicContact CG-CG1 4.26Å; Y101-D233 HydrophobicContact CE1-CB 4.44Å; Y101-D233 WeakPolarHBondContact CE1-OD2 3.38Å; Y101-D233 VanDerWaalsContact CZ-OD2 3.3Å; Y101-D233 PolarHBondContact OH-OD2 2.94Å; Y101-A234 HydrophobicContact CE1-CB 4.03Å; Y101-F322 AromaticContact CD2-CE1 3.73Å; Y101-F322 HydrophobicContact CD2-CE1 3.73Å; Y101-F322 AromaticContact CD2-CZ 3.52Å; Y101-F322 HydrophobicContact CD2-CZ 3.52Å; Y101-F322 AromaticContact CE2-CE1 3.95Å; Y101-F322 HydrophobicContact CE2-CE1 3.95Å; Y101-F322 AromaticContact CE2-CZ 3.55Å; Y101-F322 HydrophobicContact CE2-CZ 3.55Å; Y101-F322 HydrophobicContact CG-CE1 4.14Å; Y101-F322 HydrophobicContact CG-CZ 4.38Å
102	L	88.1	Confident	82.3	Confident	156 Å²	156	73.4 Å²	73.4	82%	0.817	44%	0.436	S	S	*	.			trans	-112.9	115	172.9	-64.1	175.3	0	0	0	107.8
103	S	85.8	Confident	83.1	Confident	26 Å²	26	73.6 Å²	73.6	18%	0.182	44%	0.437	C	S	.	.			trans	-58.7	141.8	176.3	176.6	0	0	0	0	110.8	N105 D233	S103-N105 PolarHBondContact O-N 2.96Å; S103-N105 PolarHBondContact OG-N 2.98Å; S103-D233 WeakPolarHBondContact CA-OD2 3.24Å; S103-D233 WeakPolarHBondContact OG-CB 3.49Å; S103-D233 VanDerWaalsContact OG-CG 3.3Å
104	S	82.9	Confident	84.1	Confident	70 Å²	70	69.2 Å²	69.2	49%	0.49	41%	0.413	S	S	.	.			trans	-67.3	-14.9	176.3	77.7	0	0	0	0	113.4	G106 D233	S104-G106 PolarHBondContact O-N 3.04Å; S104-G106 PolarHBondContact OG-N 3.39Å; S104-D233 WeakPolarHBondContact CB-OD1 3.35Å; S104-D233 PolarHBondContact N-OD1 3.35Å; S104-D233 PolarHBondContact N-OD2 3.44Å; S104-D233 PolarHBondContact OG-OD1 3.37Å
105	N	77.8	Confident	85.3	Confident	145 Å²	145	73.1 Å²	73.1	78%	0.775	43%	0.425	S	S	*	.			trans	53.8	16.8	-172.7	-61.5	-47.6	0	0	0	114.1	S103	S103-N105 PolarHBondContact O-N 2.96Å; S103-N105 PolarHBondContact OG-N 2.98Å
106	G	79	Confident	87.3	Confident	29 Å²	29	77.4 Å²	77.4	30%	0.299	43%	0.433	S	S	.	.			trans	-78.9	169.3	179.1	0	0	0	0	0	113	S104 H108	S104-G106 PolarHBondContact O-N 3.04Å; S104-G106 PolarHBondContact OG-N 3.39Å; G106-H108 PolarHBondContact O-CE1 3.33Å; G106-H108 PolarHBondContact O-ND1 3.03Å
107	P	87.6	Confident	89.1	Confident	137 Å²	137	81.9 Å²	81.9	89%	0.89	45%	0.449	S	S	*	.			trans	-63.2	143.1	165.9	28.8	-33.4	0	0	0	109.8
108	H	93.6	Very high	90.6	Very high	40 Å²	40	77.6 Å²	77.6	19%	0.185	43%	0.43	C	S	.	.			trans	-114.5	149.2	178.2	-57.5	-14	0	0	0	108.9	G106 V232 D233 A236	G106-H108 PolarHBondContact O-CE1 3.33Å; G106-H108 PolarHBondContact O-ND1 3.03Å; H108-V232 HydrophobicContact CB-CG1 4.29Å; H108-V232 VanDerWaalsContact CD2-CG1 3.49Å; H108-V232 WeakPolarHBondContact CD2-CG1 3.31Å; H108-D233 IonicContact CE1-OD1 3.4Å; H108-D233 PolarHBondContact CE1-OD1 3.34Å; H108-D233 IonicContact ND1-OD1 2.9Å; H108-D233 WeakPolarHBondContact NE2-CA 3.36Å; H108-D233 WeakPolarHBondContact NE2-CB 3.49Å; H108-D233 IonicContact NE2-OD1 3.32Å; H108-A236 HydrophobicContact CB-CB 4.21Å
109	P	95.4	Very high	91.7	Very high	67 Å²	67	74.6 Å²	74.6	44%	0.435	42%	0.423	S	S	.	.			trans	-60.7	146.6	173.8	27.7	-34.2	0	0	0	109.8	S111 A236 Y280	P109-S111 PolarHBondContact O-N 3.47Å; P109-A236 HydrophobicContact CG-CB 4.45Å; P109-Y280 WeakPolarHBondContact O-CE2 3.2Å; P109-Y280 PolarHBondContact O-OH 2.03Å
110	D	94.9	Very high	92.6	Very high	144 Å²	144	76.6 Å²	76.6	77%	0.77	42%	0.424	S	S	*	.	S	Bend	trans	-60.9	-28.5	-179.6	-62.6	-31.2	0	0	0	112.7
111	S	97.9	Very high	93	Very high	79 Å²	79	74.9 Å²	74.9	55%	0.552	41%	0.41	S	S	*	.			trans	-145.5	151.8	173.8	63.3	0	0	0	0	112	P109 Y280	P109-S111 PolarHBondContact O-N 3.47Å; S111-Y280 CarbonylContact C-O 3.51Å; S111-Y280 VanDerWaalsContact CA-O 3.25Å; S111-Y280 WeakPolarHBondContact CA-O 3.36Å; S111-Y280 WeakPolarHBondContact CB-O 3.48Å
112	I	98.4	Very high	93.4	Very high	9 Å²	9	74.4 Å²	74.4	5%	0.046	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.5	172.2	-173.2	171.7	0	0	0	109	W114 K117 V235 G279 Y280	I112-W114 HydrophobicContact CD1-CZ2 4.32Å; I112-K117 HydrophobicContact CD1-CD 4.22Å; I112-K117 VanDerWaalsContact CD1-NZ 3.26Å; I112-K117 HydrophobicContact CG1-CD 4.27Å; I112-V235 WeakPolarHBondContact CD1-O 3.27Å; I112-V235 HydrophobicContact CG2-CG1 3.88Å; I112-G279 CarbonylContact O-C 3.49Å; I112-G279 WeakPolarHBondContact O-CA 3.18Å; I112-Y280 HydrophobicContact CG2-CD1 3.47Å; I112-Y280 VanDerWaalsContact CG2-CD1 3.47Å; I112-Y280 HydrophobicContact CG2-CD2 4.39Å; I112-Y280 HydrophobicContact CG2-CE1 3.25Å; I112-Y280 HydrophobicContact CG2-CE2 4.21Å; I112-Y280 HydrophobicContact CG2-CG 4.04Å; I112-Y280 PolarHBondContact N-O 2.9Å; I112-Y280 PolarHBondContact O-N 2.91Å; I112-Y280 VanDerWaalsContact O-O 3.09Å
113	D	98.7	Very high	93.9	Very high	16 Å²	16	72 Å²	72	9%	0.086	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	107	173.9	-174	-15.8	0	0	0	108.3	R115 K116 K117 I290	D113-R115 PolarHBondContact O-N 3.2Å; D113-R115 WeakPolarHBondContact OD1-CB 3.44Å; D113-R115 WeakPolarHBondContact OD1-CG 3.47Å; D113-R115 IonicContact OD1-CZ 3.48Å; D113-R115 PolarHBondContact OD1-N 2.83Å; D113-R115 IonicContact OD1-NE 2.81Å; D113-R115 PolarHBondContact OD1-NE 3.37Å; D113-R115 IonicContact OD1-NH2 2.73Å; D113-R115 IonicContact OD2-CZ 2.88Å; D113-R115 IonicContact OD2-NE 3.48Å; D113-R115 PolarHBondContact OD2-NE 3.37Å; D113-R115 IonicContact OD2-NH2 4Å; D113-R115 PolarHBondContact OD2-NH2 2.95Å; D113-K116 HydrophobicContact CB-CB 4.36Å; D113-K116 HydrophobicContact CB-CD 4.08Å; D113-K116 HydrophobicContact CB-CG 4.11Å; D113-K116 PolarHBondContact O-N 2.81Å; D113-K116 WeakPolarHBondContact OD2-CE 3.27Å; D113-K117 PolarHBondContact O-N 3Å; D113-I290 HydrophobicContact CB-CD1 4.04Å
114	W	98.8	Very high	94.5	Very high	17 Å²	17	71.9 Å²	71.9	6%	0.064	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-22.9	-177.6	-78.8	101.2	0	0	0	112.7	I112 K116 K117 Y120 I121 I148 V235 R238 P240 V278	I112-W114 HydrophobicContact CD1-CZ2 4.32Å; W114-K116 PolarHBondContact O-N 3.23Å; W114-K117 HydrophobicContact CD2-CD 4.34Å; W114-K117 HydrophobicContact CE3-CB 4.27Å; W114-K117 HydrophobicContact CE3-CD 3.99Å; W114-K117 HydrophobicContact CZ3-CD 4.08Å; W114-K117 PolarHBondContact O-N 3.31Å; W114-Y120 AromaticContact CE3-CD2 3.85Å; W114-Y120 HydrophobicContact CE3-CD2 3.85Å; W114-Y120 HydrophobicContact CE3-CE2 4.41Å; W114-Y120 HydrophobicContact CE3-CG 4.45Å; W114-Y120 HydrophobicContact CZ3-CD2 4.22Å; W114-Y120 HydrophobicContact CZ3-CE2 4.39Å; W114-I121 HydrophobicContact CB-CD1 3.91Å; W114-I121 HydrophobicContact CB-CG1 4.15Å; W114-I148 HydrophobicContact CD2-CD1 4.25Å; W114-I148 HydrophobicContact CE3-CD1 3.7Å; W114-I148 HydrophobicContact CE3-CG1 4.14Å; W114-I148 HydrophobicContact CH2-CD1 3.74Å; W114-I148 HydrophobicContact CH2-CG1 4.35Å; W114-I148 HydrophobicContact CZ2-CD1 4.3Å; W114-I148 HydrophobicContact CZ3-CD1 3.41Å; W114-I148 VanDerWaalsContact CZ3-CD1 3.41Å; W114-I148 HydrophobicContact CZ3-CG1 3.71Å; W114-V235 PolarHBondContact NE1-O 2.98Å; W114-R238 WeakPolarHBondContact CH2-O 3.3Å; W114-R238 WeakPolarHBondContact CZ2-O 3.18Å; W114-P240 HydrophobicContact CB-CG 4.03Å; W114-P240 HydrophobicContact CD2-CG 4.41Å; W114-P240 HydrophobicContact CG-CG 3.8Å; W114-V278 WeakPolarHBondContact CB-O 3.09Å; W114-V278 VanDerWaalsContact CD1-O 3.25Å; W114-V278 PolarHBondContact N-O 3.32Å
115	R	98.5	Very high	95.3	Very high	96 Å²	96	70.6 Å²	70.6	36%	0.362	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-27.9	173.5	-52.7	172.6	-64.5	177.2	6.3	112	D113 I121 V278	D113-R115 PolarHBondContact O-N 3.2Å; D113-R115 WeakPolarHBondContact OD1-CB 3.44Å; D113-R115 WeakPolarHBondContact OD1-CG 3.47Å; D113-R115 IonicContact OD1-CZ 3.48Å; D113-R115 PolarHBondContact OD1-N 2.83Å; D113-R115 IonicContact OD1-NE 2.81Å; D113-R115 PolarHBondContact OD1-NE 3.37Å; D113-R115 IonicContact OD1-NH2 2.73Å; D113-R115 IonicContact OD2-CZ 2.88Å; D113-R115 IonicContact OD2-NE 3.48Å; D113-R115 PolarHBondContact OD2-NE 3.37Å; D113-R115 IonicContact OD2-NH2 4Å; D113-R115 PolarHBondContact OD2-NH2 2.95Å; R115-I121 HydrophobicContact CG-CB 4.16Å; R115-I121 HydrophobicContact CG-CG1 3.83Å; R115-I121 HydrophobicContact CG-CG2 4.37Å; R115-V278 HydrophobicContact CG-CG2 4.44Å
116	K	98.3	Very high	96.3	Very high	175 Å²	175	67.9 Å²	67.9	76%	0.761	37%	0.372	S	S	*	.	H	α-helix	trans	-93.1	-14.6	-179.6	-60.9	-177.9	-174.8	175.4	0	113.2	D113 W114	D113-K116 HydrophobicContact CB-CB 4.36Å; D113-K116 HydrophobicContact CB-CD 4.08Å; D113-K116 HydrophobicContact CB-CG 4.11Å; D113-K116 PolarHBondContact O-N 2.81Å; D113-K116 WeakPolarHBondContact OD2-CE 3.27Å; W114-K116 PolarHBondContact O-N 3.23Å
117	K	97.2	Very high	97.2	Very high	113 Å²	113	66.5 Å²	66.5	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-80.7	-19.2	-179.3	-79.2	-168	159.4	-175.1	0	113.8	I112 D113 W114 Y120	I112-K117 HydrophobicContact CD1-CD 4.22Å; I112-K117 VanDerWaalsContact CD1-NZ 3.26Å; I112-K117 HydrophobicContact CG1-CD 4.27Å; D113-K117 PolarHBondContact O-N 3Å; W114-K117 HydrophobicContact CD2-CD 4.34Å; W114-K117 HydrophobicContact CE3-CB 4.27Å; W114-K117 HydrophobicContact CE3-CD 3.99Å; W114-K117 HydrophobicContact CZ3-CD 4.08Å; W114-K117 PolarHBondContact O-N 3.31Å; K117-Y120 HydrophobicContact CB-CD2 4.16Å; K117-Y120 HydrophobicContact CB-CE2 4.06Å; K117-Y120 WeakPolarHBondContact O-CE2 3.45Å
118	G	96.2	Very high	97.7	Very high	34 Å²	34	61 Å²	61	35%	0.351	33%	0.326	S	S	.	.	S	Bend	trans	160.1	-172.6	-177.8	0	0	0	0	0	111.2	Y120	G118-Y120 PolarHBondContact O-N 2.95Å
119	N	97.4	Very high	97.8	Very high	124 Å²	124	62.4 Å²	62.4	66%	0.663	35%	0.345	S	S	*	.	S	Bend	trans	-80.9	67.1	176.9	-169.9	34.8	0	0	0	111	L153	N119-L153 WeakPolarHBondContact OD1-CD2 3.37Å
120	Y	98.5	Very high	98	Very high	63 Å²	63	59.3 Å²	59.3	25%	0.247	32%	0.324	C	S	.	.			trans	-108.9	-14.6	-175.1	-58	-53	0	0	0	113.9	W114 K117 G118 S144 A147 I148 L153	W114-Y120 AromaticContact CE3-CD2 3.85Å; W114-Y120 HydrophobicContact CE3-CD2 3.85Å; W114-Y120 HydrophobicContact CE3-CE2 4.41Å; W114-Y120 HydrophobicContact CE3-CG 4.45Å; W114-Y120 HydrophobicContact CZ3-CD2 4.22Å; W114-Y120 HydrophobicContact CZ3-CE2 4.39Å; K117-Y120 HydrophobicContact CB-CD2 4.16Å; K117-Y120 HydrophobicContact CB-CE2 4.06Å; K117-Y120 WeakPolarHBondContact O-CE2 3.45Å; G118-Y120 PolarHBondContact O-N 2.95Å; Y120-S144 WeakPolarHBondContact O-CA 3.43Å; Y120-S144 WeakPolarHBondContact O-CB 3.37Å; Y120-S144 PolarHBondContact O-OG 2.97Å; Y120-S144 VanDerWaalsContact O-OG 3.1Å; Y120-A147 HydrophobicContact CD1-CB 3.89Å; Y120-I148 HydrophobicContact CD1-CB 4.39Å; Y120-I148 HydrophobicContact CD1-CG1 3.64Å; Y120-I148 HydrophobicContact CD2-CG1 4.32Å; Y120-I148 HydrophobicContact CE1-CB 4.47Å; Y120-I148 HydrophobicContact CE1-CG1 4.05Å; Y120-I148 HydrophobicContact CG-CG1 3.8Å; Y120-L153 WeakPolarHBondContact O-CD1 3.45Å
121	I	98.6	Very high	98.1	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.097	29%	0.289	C	S	.	.	S	Bend	trans	-116.7	123.1	-176.2	-51.7	-58.9	0	0	0	108.7	W114 R115 S144 P240 V278 K292 Y304	W114-I121 HydrophobicContact CB-CD1 3.91Å; W114-I121 HydrophobicContact CB-CG1 4.15Å; R115-I121 HydrophobicContact CG-CB 4.16Å; R115-I121 HydrophobicContact CG-CG1 3.83Å; R115-I121 HydrophobicContact CG-CG2 4.37Å; I121-S144 WeakPolarHBondContact CD1-OG 3.41Å; I121-P240 HydrophobicContact CD1-CG 3.61Å; I121-V278 HydrophobicContact CD1-CB 4.17Å; I121-V278 HydrophobicContact CD1-CG1 3.8Å; I121-V278 HydrophobicContact CG1-CG1 4.37Å; I121-V278 HydrophobicContact CG2-CG1 4.32Å; I121-K292 HydrophobicContact CG2-CD 4.01Å; I121-Y304 WeakPolarHBondContact CG2-OH 3.12Å
122	T	98.4	Very high	98.2	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.025	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65.5	160.4	173.3	51.3	0	0	0	0	111.7	E143 L153 K292	T122-E143 WeakPolarHBondContact CB-OE2 3.01Å; T122-E143 HydrophobicContact CG2-CB 4.17Å; T122-E143 HydrophobicContact CG2-CG 4.18Å; T122-E143 WeakPolarHBondContact CG2-OE2 3.48Å; T122-E143 PolarHBondContact OG1-OE2 2.85Å; T122-L153 HydrophobicContact CG2-CD1 3.74Å; T122-L153 HydrophobicContact CG2-CD2 4.04Å; T122-L153 HydrophobicContact CG2-CG 3.8Å; T122-K292 PolarHBondContact O-NZ 3.09Å; T122-K292 PolarHBondContact OG1-NZ 3.16Å
123	P	98.6	Very high	98.2	Very high	104 Å²	104	48.4 Å²	48.4	68%	0.675	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-53.6	157.2	169.7	-25.9	35.4	0	0	0	112.9	K125 K292	P123-K125 PolarHBondContact O-N 2.9Å; P123-K292 WeakPolarHBondContact O-CE 3.3Å; P123-K292 PolarHBondContact O-NZ 2.63Å
124	V	98.8	Very high	98.2	Very high	25 Å²	25	47.6 Å²	47.6	15%	0.152	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-66.7	130.2	173.1	175.6	0	0	0	0	109.5	K292 P297 Y304	V124-K292 HydrophobicContact CG2-CG 4.23Å; V124-P297 HydrophobicContact CB-CB 4.46Å; V124-Y304 HydrophobicContact CG2-CD2 4.11Å; V124-Y304 HydrophobicContact CG2-CE2 3.57Å
125	K	98.8	Very high	98.2	Very high	43 Å²	43	46.8 Å²	46.8	19%	0.187	25%	0.253	C	S	.	.			trans	-101.2	179.5	176.2	-60.1	-176.6	178.5	179.4	0	110.4	P123 F136 E143 L156 E158 S294 G296	P123-K125 PolarHBondContact O-N 2.9Å; K125-F136 HydrophobicContact CB-CD1 3.72Å; K125-F136 HydrophobicContact CB-CE1 3.47Å; K125-F136 VanDerWaalsContact CB-CE1 3.47Å; K125-F136 HydrophobicContact CD-CD1 3.93Å; K125-F136 HydrophobicContact CD-CE1 3.75Å; K125-F136 HydrophobicContact CG-CD1 4.42Å; K125-F136 HydrophobicContact CG-CE1 4.27Å; K125-E143 IonicContact NZ-OE1 2.79Å; K125-E143 PolarHBondContact NZ-OE1 2.77Å; K125-L156 PolarHBondContact NZ-O 2.98Å; K125-E158 WeakPolarHBondContact CD-OE1 3.29Å; K125-E158 IonicContact NZ-OE1 2.71Å; K125-E158 PolarHBondContact NZ-OE1 3.34Å; K125-E158 IonicContact NZ-OE2 2.84Å; K125-E158 PolarHBondContact NZ-OE2 2.84Å; K125-S294 CarbonylContact O-C 3.59Å; K125-G296 WeakPolarHBondContact O-CA 3.39Å; K125-G296 PolarHBondContact O-N 3.34Å
126	N	98.6	Very high	98.2	Very high	87 Å²	87	43.1 Å²	43.1	47%	0.465	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-132.3	119.4	178.1	-171.5	-9.8	0	0	0	110.6	G128 S294	N126-G128 VanDerWaalsContact C-N 3.27Å; N126-G128 PolarHBondContact O-N 2.71Å; N126-G128 PolarHBondContact OD1-N 2.46Å; N126-S294 CarbonylContact C-O 3.44Å; N126-S294 WeakPolarHBondContact CA-O 3.34Å
127	Q	98.4	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.			trans	-73.6	-15.5	178.4	74.5	-175.6	80	0	0	113.4	F86 C130 F136 Y199 A201 S294 W295	F86-Q127 PolarHBondContact O-NE2 2.98Å; Q127-C130 PolarHBondContact NE2-O 2.73Å; Q127-F136 VanDerWaalsContact CA-CE2 3.47Å; Q127-F136 HydrophobicContact CB-CD2 3.77Å; Q127-F136 HydrophobicContact CB-CE2 3.35Å; Q127-F136 HydrophobicContact CB-CZ 4.01Å; Q127-Y199 WeakPolarHBondContact O-CE1 3.46Å; Q127-Y199 PolarHBondContact O-OH 2.85Å; Q127-A201 WeakPolarHBondContact O-CB 3.32Å; Q127-S294 PolarHBondContact N-O 3.2Å; Q127-S294 PolarHBondContact OE1-OG 2.97Å; Q127-W295 VanDerWaalsContact OE1-CD1 3.23Å
128	G	97.6	Very high	98.3	Very high	22 Å²	22	29.5 Å²	29.5	23%	0.227	18%	0.181	C	C	.	.			trans	59.1	-158.8	-174.8	0	0	0	0	0	112.9	F86 N126 C130	F86-G128 WeakPolarHBondContact CD1-O 3.42Å; F86-G128 VanDerWaalsContact CE1-C 3.44Å; F86-G128 WeakPolarHBondContact CE1-O 3.16Å; N126-G128 VanDerWaalsContact C-N 3.27Å; N126-G128 PolarHBondContact O-N 2.71Å; N126-G128 PolarHBondContact OD1-N 2.46Å; G128-C130 PolarHBondContact O-N 3.1Å
129	A	97	Very high	98.4	Very high	70 Å²	70	28 Å²	28	58%	0.579	16%	0.164	S	C	*	.	S	Bend	trans	-80.5	55.7	-178	0	0	0	0	0	112.4	S85 F86	S85-A129 CarbonylContact O-C 3.51Å; S85-A129 WeakPolarHBondContact O-CA 3.25Å; F86-A129 HydrophobicContact CZ-CB 4.28Å
130	C	98.2	Very high	98.5	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	13%	0.134	C	C	.	.	S	Bend	trans	-140.6	130.1	176.9	170.8	0	0	0	0	108.7	S85 Q127 G128 S132 C173 A201	S85-C130 CarbonylContact O-C 3.53Å; S85-C130 WeakPolarHBondContact O-CA 3.22Å; S85-C130 PolarHBondContact O-N 2.85Å; Q127-C130 PolarHBondContact NE2-O 2.73Å; G128-C130 PolarHBondContact O-N 3.1Å; C130-S132 PolarHBondContact O-N 2.96Å; C130-S132 WeakPolarHBondContact SG-CB 3.27Å; C130-S132 PolarHBondContact SG-OG 3.26Å; C130-C173 HydrophobicContact CB-CB 3.97Å; C130-C173 WeakPolarHBondContact CB-SG 3.25Å; C130-C173 WeakPolarHBondContact SG-CA 3.25Å; C130-C173 WeakPolarHBondContact SG-CB 3.5Å; C130-C173 CovalentContact SG-SG 2.04Å; C130-C173 PolarHBondContact SG-SG 2.84Å; C130-A201 HydrophobicContact CB-CB 4.18Å; C130-A201 WeakPolarHBondContact CB-O 3.28Å
131	G	97.9	Very high	98.5	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-72.3	46.2	176.6	0	0	0	0	0	113.7	L88 C173	L88-G131 WeakPolarHBondContact CD2-O 3.22Å; G131-C173 CarbonylContact C-O 3.44Å; G131-C173 WeakPolarHBondContact CA-O 3.24Å; G131-C173 PolarHBondContact N-O 3.45Å
132	S	98.6	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.118	C	C	.	.			trans	-103.3	16.4	-174.1	57.5	0	0	0	0	113.9	C130 W134 T135 F136 Y199	C130-S132 PolarHBondContact O-N 2.96Å; C130-S132 WeakPolarHBondContact SG-CB 3.27Å; C130-S132 PolarHBondContact SG-OG 3.26Å; S132-W134 PolarHBondContact O-N 2.92Å; S132-T135 WeakPolarHBondContact O-CB 3.28Å; S132-T135 PolarHBondContact O-N 2.91Å; S132-T135 PolarHBondContact O-OG1 3.02Å; S132-F136 WeakPolarHBondContact O-CD2 3.49Å; S132-Y199 PolarHBondContact OG-OH 3.14Å
133	C	98.7	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-48.9	-30.3	176	55	0	0	0	0	114.4	T135 F136 S137 H273 A274	C133-T135 VanDerWaalsContact C-N 3.28Å; C133-T135 PolarHBondContact O-N 3.23Å; C133-F136 PolarHBondContact O-N 3.27Å; C133-S137 WeakPolarHBondContact O-CB 3.22Å; C133-S137 PolarHBondContact O-N 2.84Å; C133-H273 WeakPolarHBondContact CB-CE1 3.28Å; C133-H273 WeakPolarHBondContact CB-ND1 3.47Å; C133-H273 PolarHBondContact SG-ND1 3.39Å; C133-A274 WeakPolarHBondContact CB-O 3.4Å; C133-A274 PolarHBondContact SG-N 2.81Å; C133-A274 VanDerWaalsContact SG-N 3.35Å
134	W	98.7	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-34.9	173.3	69	-87.1	0	0	0	113.3	S132 T138 L161 A165 N170 G172 G175 G176 A181 A274	S132-W134 PolarHBondContact O-N 2.92Å; W134-T138 WeakPolarHBondContact O-CB 3.3Å; W134-T138 PolarHBondContact O-N 2.86Å; W134-T138 PolarHBondContact O-OG1 3.28Å; W134-L161 HydrophobicContact CH2-CB 3.88Å; W134-L161 VanDerWaalsContact CH2-O 3.32Å; W134-L161 WeakPolarHBondContact CH2-O 3.37Å; W134-L161 HydrophobicContact CZ3-CB 4.02Å; W134-A165 HydrophobicContact CH2-CB 4.06Å; W134-A165 HydrophobicContact CZ3-CB 4.45Å; W134-N170 HydrophobicContact CH2-CB 3.41Å; W134-N170 VanDerWaalsContact CH2-CB 3.41Å; W134-N170 HydrophobicContact CZ2-CB 3.8Å; W134-N170 HydrophobicContact CZ3-CB 3.81Å; W134-N170 VanDerWaalsContact CZ3-CG 3.49Å; W134-N170 WeakPolarHBondContact CZ3-OD1 3.12Å; W134-G172 PolarHBondContact NE1-O 2.86Å; W134-G175 VanDerWaalsContact CD1-C 3.49Å; W134-G175 VanDerWaalsContact NE1-C 3.33Å; W134-G175 PolarHBondContact NE1-O 2.95Å; W134-G176 VanDerWaalsContact CB-O 3.25Å; W134-G176 WeakPolarHBondContact CB-O 3.47Å; W134-G176 VanDerWaalsContact CD1-N 3.33Å; W134-A181 HydrophobicContact CE3-CB 3.89Å; W134-A181 HydrophobicContact CZ3-CB 3.63Å; W134-A274 HydrophobicContact CB-CB 4.15Å
135	T	98.9	Very high	98.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.6	-43.6	176.2	70.3	0	0	0	0	110.7	S132 C133 S137 T138 T139 E158 L161 V162	S132-T135 WeakPolarHBondContact O-CB 3.28Å; S132-T135 PolarHBondContact O-N 2.91Å; S132-T135 PolarHBondContact O-OG1 3.02Å; C133-T135 VanDerWaalsContact C-N 3.28Å; C133-T135 PolarHBondContact O-N 3.23Å; T135-S137 PolarHBondContact O-N 2.88Å; T135-T138 CarbonylContact O-C 3.55Å; T135-T138 WeakPolarHBondContact O-CA 3.39Å; T135-T138 VanDerWaalsContact O-CB 3.32Å; T135-T138 WeakPolarHBondContact O-CB 3.49Å; T135-T138 PolarHBondContact O-N 2.84Å; T135-T138 VanDerWaalsContact O-N 3.1Å; T135-T139 WeakPolarHBondContact O-CG2 3.35Å; T135-T139 PolarHBondContact O-N 3.45Å; T135-T139 PolarHBondContact O-OG1 3.39Å; T135-E158 WeakPolarHBondContact OG1-CB 3.37Å; T135-E158 WeakPolarHBondContact OG1-CG 3.23Å; T135-L161 HydrophobicContact CG2-CB 3.57Å; T135-L161 HydrophobicContact CG2-CD1 4.32Å; T135-V162 HydrophobicContact CG2-CG2 3.84Å
136	F	98.9	Very high	98.5	Very high	19 Å²	19	11.4 Å²	11.4	8%	0.083	8%	0.078	C	C	.	.	H	α-helix	trans	-65.2	-36.7	176.6	-69.7	-87.6	0	0	0	113.1	K125 Q127 S132 C133 T138 T139 G140 E158 Y199	K125-F136 HydrophobicContact CB-CD1 3.72Å; K125-F136 HydrophobicContact CB-CE1 3.47Å; K125-F136 VanDerWaalsContact CB-CE1 3.47Å; K125-F136 HydrophobicContact CD-CD1 3.93Å; K125-F136 HydrophobicContact CD-CE1 3.75Å; K125-F136 HydrophobicContact CG-CD1 4.42Å; K125-F136 HydrophobicContact CG-CE1 4.27Å; Q127-F136 VanDerWaalsContact CA-CE2 3.47Å; Q127-F136 HydrophobicContact CB-CD2 3.77Å; Q127-F136 HydrophobicContact CB-CE2 3.35Å; Q127-F136 HydrophobicContact CB-CZ 4.01Å; S132-F136 WeakPolarHBondContact O-CD2 3.49Å; C133-F136 PolarHBondContact O-N 3.27Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T139 WeakPolarHBondContact CA-OG1 3.45Å; F136-T139 PolarHBondContact O-OG1 2.83Å; F136-G140 PolarHBondContact O-N 2.81Å; F136-E158 HydrophobicContact CB-CG 4.48Å; F136-E158 HydrophobicContact CD1-CG 3.64Å; F136-E158 HydrophobicContact CD2-CG 3.94Å; F136-E158 HydrophobicContact CE1-CB 4.42Å; F136-E158 HydrophobicContact CE1-CG 3.65Å; F136-E158 HydrophobicContact CE2-CB 4.24Å; F136-E158 HydrophobicContact CE2-CG 3.94Å; F136-E158 HydrophobicContact CG-CG 3.79Å; F136-E158 HydrophobicContact CZ-CB 4.15Å; F136-E158 HydrophobicContact CZ-CG 3.81Å; F136-Y199 HydrophobicContact CE2-CE1 4.11Å; F136-Y199 AromaticContact CE2-CE2 3.86Å; F136-Y199 HydrophobicContact CE2-CE2 3.86Å; F136-Y199 AromaticContact CE2-CZ 3.61Å; F136-Y199 AromaticContact CZ-CD1 3.98Å; F136-Y199 HydrophobicContact CZ-CD1 3.98Å; F136-Y199 HydrophobicContact CZ-CD2 4.16Å; F136-Y199 AromaticContact CZ-CE1 3.68Å; F136-Y199 HydrophobicContact CZ-CE1 3.68Å; F136-Y199 AromaticContact CZ-CE2 3.88Å; F136-Y199 HydrophobicContact CZ-CE2 3.88Å; F136-Y199 HydrophobicContact CZ-CG 4.2Å; F136-Y199 AromaticContact CZ-CZ 3.62Å
137	S	98.9	Very high	98.5	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-64.4	-41.3	171.2	179.6	0	0	0	0	111	C133 T135 C141 S242 V275	C133-S137 WeakPolarHBondContact O-CB 3.22Å; C133-S137 PolarHBondContact O-N 2.84Å; T135-S137 PolarHBondContact O-N 2.88Å; S137-C141 VanDerWaalsContact O-CB 3.28Å; S137-C141 WeakPolarHBondContact O-CB 3.4Å; S137-C141 PolarHBondContact O-N 3.42Å; S137-S242 PolarHBondContact O-OG 2.97Å; S137-S242 WeakPolarHBondContact OG-CB 3.39Å; S137-S242 PolarHBondContact OG-OG 3.09Å; S137-V275 PolarHBondContact OG-O 3.14Å
138	T	98.9	Very high	98.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.6	-55.2	178.1	-56.2	0	0	0	0	111.6	W134 T135 F136 C141 L142 L161 P178 A181 F182 I185	W134-T138 WeakPolarHBondContact O-CB 3.3Å; W134-T138 PolarHBondContact O-N 2.86Å; W134-T138 PolarHBondContact O-OG1 3.28Å; T135-T138 CarbonylContact O-C 3.55Å; T135-T138 WeakPolarHBondContact O-CA 3.39Å; T135-T138 VanDerWaalsContact O-CB 3.32Å; T135-T138 WeakPolarHBondContact O-CB 3.49Å; T135-T138 PolarHBondContact O-N 2.84Å; T135-T138 VanDerWaalsContact O-N 3.1Å; F136-T138 VanDerWaalsContact C-N 3.34Å; T138-C141 PolarHBondContact O-N 2.88Å; T138-L142 PolarHBondContact O-N 3.11Å; T138-L161 HydrophobicContact CG2-CD1 3.71Å; T138-P178 WeakPolarHBondContact OG1-CA 3.33Å; T138-A181 HydrophobicContact CG2-CB 3.56Å; T138-A181 WeakPolarHBondContact OG1-CB 3.36Å; T138-F182 HydrophobicContact CG2-CD1 3.58Å; T138-F182 HydrophobicContact CG2-CE1 3.36Å; T138-F182 HydrophobicContact CG2-CG 4.44Å; T138-F182 HydrophobicContact CG2-CZ 4.07Å; T138-F182 WeakPolarHBondContact O-CE1 3.42Å; T138-I185 HydrophobicContact CG2-CD1 3.85Å
139	T	98.9	Very high	98.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-61.7	-49.4	-179.5	52.8	0	0	0	0	110.2	T135 F136 C141 L142 E143 L156 E158 L161 L191	T135-T139 WeakPolarHBondContact O-CG2 3.35Å; T135-T139 PolarHBondContact O-N 3.45Å; T135-T139 PolarHBondContact O-OG1 3.39Å; F136-T139 WeakPolarHBondContact CA-OG1 3.45Å; F136-T139 PolarHBondContact O-OG1 2.83Å; T139-C141 PolarHBondContact O-N 2.88Å; T139-L142 PolarHBondContact O-N 3.26Å; T139-L142 VanDerWaalsContact O-N 3.13Å; T139-E143 WeakPolarHBondContact O-CB 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.5Å; T139-E143 PolarHBondContact O-N 3.03Å; T139-L156 HydrophobicContact CG2-CB 3.98Å; T139-E158 VanDerWaalsContact CB-OE1 3.27Å; T139-E158 WeakPolarHBondContact CB-OE1 3.36Å; T139-E158 HydrophobicContact CG2-CG 3.87Å; T139-E158 PolarHBondContact OG1-OE1 2.8Å; T139-L161 HydrophobicContact CG2-CD1 4.13Å; T139-L191 HydrophobicContact CG2-CD2 4.06Å
140	G	98.9	Very high	98.5	Very high	3 Å²	3	13 Å²	13	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-56.8	-37.8	179.3	0	0	0	0	0	113.1	F136 S144	F136-G140 PolarHBondContact O-N 2.81Å; G140-S144 WeakPolarHBondContact O-CB 3.35Å; G140-S144 PolarHBondContact O-N 3.09Å; G140-S144 PolarHBondContact O-OG 3.43Å
141	C	98.9	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.9	-54.2	174	-165.6	0	0	0	0	111.5	S137 T138 T139 E143 S144 V145 F182 P240 S242 L276 P323	S137-C141 VanDerWaalsContact O-CB 3.28Å; S137-C141 WeakPolarHBondContact O-CB 3.4Å; S137-C141 PolarHBondContact O-N 3.42Å; T138-C141 PolarHBondContact O-N 2.88Å; T139-C141 PolarHBondContact O-N 2.88Å; C141-E143 PolarHBondContact O-N 3.17Å; C141-S144 WeakPolarHBondContact O-CA 3.41Å; C141-S144 WeakPolarHBondContact O-CB 3.48Å; C141-S144 PolarHBondContact O-N 3.25Å; C141-V145 WeakPolarHBondContact O-CG2 3.14Å; C141-V145 PolarHBondContact O-N 3.26Å; C141-F182 HydrophobicContact CB-CE1 4.29Å; C141-F182 HydrophobicContact CB-CZ 3.76Å; C141-P240 PolarHBondContact SG-O 2.92Å; C141-S242 WeakPolarHBondContact CB-OG 3.49Å; C141-L276 HydrophobicContact CB-CD1 3.65Å; C141-P323 WeakPolarHBondContact SG-CD 3.25Å
142	L	98.9	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-38.4	-178.2	-178.6	57.7	0	0	0	112.9	T138 T139 S144 V145 T146 L156 F182 I185 L191 A215 V217 P323 V325	T138-L142 PolarHBondContact O-N 3.11Å; T139-L142 PolarHBondContact O-N 3.26Å; T139-L142 VanDerWaalsContact O-N 3.13Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 2.04Å; L142-V145 PolarHBondContact O-N 2.6Å; L142-T146 VanDerWaalsContact O-CB 3.24Å; L142-T146 WeakPolarHBondContact O-CB 3.28Å; L142-T146 PolarHBondContact O-N 3Å; L142-T146 PolarHBondContact O-OG1 3.43Å; L142-L156 HydrophobicContact CB-CD1 3.94Å; L142-L156 HydrophobicContact CD2-CD1 3.73Å; L142-L156 HydrophobicContact CG-CD1 3.65Å; L142-F182 HydrophobicContact CB-CE1 4.37Å; L142-I185 HydrophobicContact CD2-CD1 3.8Å; L142-I185 HydrophobicContact CD2-CG2 4.15Å; L142-L191 HydrophobicContact CD2-CD2 4.32Å; L142-A215 HydrophobicContact CD2-CB 3.98Å; L142-A215 HydrophobicContact CG-CB 4.13Å; L142-V217 HydrophobicContact CD1-CG2 3.9Å; L142-V217 HydrophobicContact CD2-CG2 4.06Å; L142-P323 HydrophobicContact CB-CG 4.29Å; L142-P323 HydrophobicContact CD1-CB 4.35Å; L142-P323 HydrophobicContact CD1-CG 3.98Å; L142-V325 HydrophobicContact CD1-CG1 3.52Å
143	E	98.9	Very high	98.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-54.6	-48.6	170.2	-73.1	170.3	168	0	0	110.4	T122 K125 T139 C141 A147 L153 V154 P155 L156	T122-E143 WeakPolarHBondContact CB-OE2 3.01Å; T122-E143 HydrophobicContact CG2-CB 4.17Å; T122-E143 HydrophobicContact CG2-CG 4.18Å; T122-E143 WeakPolarHBondContact CG2-OE2 3.48Å; T122-E143 PolarHBondContact OG1-OE2 2.85Å; K125-E143 IonicContact NZ-OE1 2.79Å; K125-E143 PolarHBondContact NZ-OE1 2.77Å; T139-E143 WeakPolarHBondContact O-CB 3.32Å; T139-E143 WeakPolarHBondContact O-CG 3.5Å; T139-E143 PolarHBondContact O-N 3.03Å; C141-E143 PolarHBondContact O-N 3.17Å; E143-A147 WeakPolarHBondContact O-CB 3.46Å; E143-A147 PolarHBondContact O-N 3.23Å; E143-L153 HydrophobicContact CB-CD1 4.35Å; E143-V154 WeakPolarHBondContact CG-O 3.36Å; E143-P155 WeakPolarHBondContact OE1-CA 3.46Å; E143-L156 HydrophobicContact CG-CB 4.15Å; E143-L156 HydrophobicContact CG-CD1 3.85Å; E143-L156 HydrophobicContact CG-CG 3.71Å; E143-L156 PolarHBondContact OE1-N 2.83Å
144	S	98.8	Very high	98.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-47.9	-179.7	-56	0	0	0	0	112.1	Y120 I121 G140 C141 L142 T146 A147 I148	Y120-S144 WeakPolarHBondContact O-CA 3.43Å; Y120-S144 WeakPolarHBondContact O-CB 3.37Å; Y120-S144 PolarHBondContact O-OG 2.97Å; Y120-S144 VanDerWaalsContact O-OG 3.1Å; I121-S144 WeakPolarHBondContact CD1-OG 3.41Å; G140-S144 WeakPolarHBondContact O-CB 3.35Å; G140-S144 PolarHBondContact O-N 3.09Å; G140-S144 PolarHBondContact O-OG 3.43Å; C141-S144 WeakPolarHBondContact O-CA 3.41Å; C141-S144 WeakPolarHBondContact O-CB 3.48Å; C141-S144 PolarHBondContact O-N 3.25Å; L142-S144 VanDerWaalsContact C-N 3.31Å; L142-S144 PolarHBondContact O-N 2.04Å; S144-T146 VanDerWaalsContact C-N 3.31Å; S144-T146 PolarHBondContact O-N 3.42Å; S144-A147 PolarHBondContact O-N 2.84Å; S144-I148 WeakPolarHBondContact O-CB 3.43Å; S144-I148 WeakPolarHBondContact O-CD1 3.44Å; S144-I148 WeakPolarHBondContact O-CG1 3.38Å; S144-I148 PolarHBondContact O-N 3.48Å
145	V	98.3	Very high	98.1	Very high	11 Å²	11	30.1 Å²	30.1	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-41.6	178.5	-176.3	0	0	0	0	110.9	C141 L142 I148 S149 N239 P323 V325	C141-V145 WeakPolarHBondContact O-CG2 3.14Å; C141-V145 PolarHBondContact O-N 3.26Å; L142-V145 PolarHBondContact O-N 2.6Å; V145-I148 PolarHBondContact O-N 2.82Å; V145-S149 WeakPolarHBondContact O-CB 3.49Å; V145-S149 PolarHBondContact O-N 2.98Å; V145-N239 HydrophobicContact CG2-CB 3.77Å; V145-N239 WeakPolarHBondContact CG2-ND2 3.46Å; V145-P323 HydrophobicContact CB-CG 4.47Å; V145-P323 HydrophobicContact CG2-CG 4.06Å; V145-V325 HydrophobicContact CB-CG1 4.27Å; V145-V325 HydrophobicContact CG1-CB 4.36Å; V145-V325 HydrophobicContact CG1-CG1 3.82Å; V145-V325 HydrophobicContact CG1-CG2 3.86Å
146	T	98.3	Very high	98.1	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.11	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-44.8	175.9	-57.7	0	0	0	0	111.2	L142 S144 S149 T150	L142-T146 VanDerWaalsContact O-CB 3.24Å; L142-T146 WeakPolarHBondContact O-CB 3.28Å; L142-T146 PolarHBondContact O-N 3Å; L142-T146 PolarHBondContact O-OG1 3.43Å; S144-T146 VanDerWaalsContact C-N 3.31Å; S144-T146 PolarHBondContact O-N 3.42Å; T146-S149 PolarHBondContact O-N 2.73Å; T146-T150 HydrophobicContact CG2-CG2 4.39Å; T146-T150 WeakPolarHBondContact O-CB 3.49Å; T146-T150 WeakPolarHBondContact O-CG2 3.47Å; T146-T150 PolarHBondContact O-N 2.66Å; T146-T150 PolarHBondContact O-OG1 3.45Å
147	A	98.5	Very high	98.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-39.9	178.2	0	0	0	0	0	112.4	Y120 E143 S144 G151 K152 L153	Y120-A147 HydrophobicContact CD1-CB 3.89Å; E143-A147 WeakPolarHBondContact O-CB 3.46Å; E143-A147 PolarHBondContact O-N 3.23Å; S144-A147 PolarHBondContact O-N 2.84Å; A147-G151 WeakPolarHBondContact O-CA 3.34Å; A147-G151 PolarHBondContact O-N 3.35Å; A147-K152 WeakPolarHBondContact CA-O 3.28Å; A147-L153 HydrophobicContact CB-CB 4.05Å; A147-L153 HydrophobicContact CB-CD1 3.72Å
148	I	98.3	Very high	98.1	Very high	53 Å²	53	29.2 Å²	29.2	27%	0.272	18%	0.18	S	C	.	.	H	α-helix	trans	-64	-42.4	176.1	-69	162.7	0	0	0	110.8	W114 Y120 S144 V145 N239	W114-I148 HydrophobicContact CD2-CD1 4.25Å; W114-I148 HydrophobicContact CE3-CD1 3.7Å; W114-I148 HydrophobicContact CE3-CG1 4.14Å; W114-I148 HydrophobicContact CH2-CD1 3.74Å; W114-I148 HydrophobicContact CH2-CG1 4.35Å; W114-I148 HydrophobicContact CZ2-CD1 4.3Å; W114-I148 HydrophobicContact CZ3-CD1 3.41Å; W114-I148 VanDerWaalsContact CZ3-CD1 3.41Å; W114-I148 HydrophobicContact CZ3-CG1 3.71Å; Y120-I148 HydrophobicContact CD1-CB 4.39Å; Y120-I148 HydrophobicContact CD1-CG1 3.64Å; Y120-I148 HydrophobicContact CD2-CG1 4.32Å; Y120-I148 HydrophobicContact CE1-CB 4.47Å; Y120-I148 HydrophobicContact CE1-CG1 4.05Å; Y120-I148 HydrophobicContact CG-CG1 3.8Å; S144-I148 WeakPolarHBondContact O-CB 3.43Å; S144-I148 WeakPolarHBondContact O-CD1 3.44Å; S144-I148 WeakPolarHBondContact O-CG1 3.38Å; S144-I148 PolarHBondContact O-N 3.48Å; V145-I148 PolarHBondContact O-N 2.82Å; I148-N239 HydrophobicContact CD1-CB 3.71Å
149	S	97.1	Very high	98.1	Very high	80 Å²	80	29.2 Å²	29.2	56%	0.559	18%	0.181	S	C	*	.	H	α-helix	trans	-76.8	-37.9	-176.6	-174.5	0	0	0	0	113.1	V145 T146	V145-S149 WeakPolarHBondContact O-CB 3.49Å; V145-S149 PolarHBondContact O-N 2.98Å; T146-S149 PolarHBondContact O-N 2.73Å
150	T	96.4	Very high	98.1	Very high	79 Å²	79	29.2 Å²	29.2	49%	0.485	18%	0.18	S	C	.	.	H	α-helix	trans	-115.2	-12.2	-168.3	71.3	0	0	0	0	114.6	T146 K152	T146-T150 HydrophobicContact CG2-CG2 4.39Å; T146-T150 WeakPolarHBondContact O-CB 3.49Å; T146-T150 WeakPolarHBondContact O-CG2 3.47Å; T146-T150 PolarHBondContact O-N 2.66Å; T146-T150 PolarHBondContact O-OG1 3.45Å; T150-K152 PolarHBondContact O-N 2.97Å; T150-K152 PolarHBondContact OG1-N 2.88Å
151	G	96.6	Very high	98.1	Very high	68 Å²	68	29 Å²	29	70%	0.701	18%	0.179	S	C	*	.	S	Bend	trans	75.3	4.8	-171.1	0	0	0	0	0	114.7	A147	A147-G151 WeakPolarHBondContact O-CA 3.34Å; A147-G151 PolarHBondContact O-N 3.35Å
152	K	95.6	Very high	98.1	Very high	149 Å²	149	29 Å²	29	65%	0.648	18%	0.179	S	C	*	.			trans	-112.7	114.6	-179	-64.8	-179	-178.4	177.8	0	111.4	A147 T150 V154	A147-K152 WeakPolarHBondContact CA-O 3.28Å; T150-K152 PolarHBondContact O-N 2.97Å; T150-K152 PolarHBondContact OG1-N 2.88Å; K152-V154 HydrophobicContact CB-CG2 4.32Å
153	L	97.8	Very high	98	Very high	39 Å²	39	29.6 Å²	29.6	20%	0.204	18%	0.182	C	C	.	.			trans	-88.5	109.2	171.6	-171.2	66.6	0	0	0	109.4	N119 Y120 T122 E143 A147	N119-L153 WeakPolarHBondContact OD1-CD2 3.37Å; Y120-L153 WeakPolarHBondContact O-CD1 3.45Å; T122-L153 HydrophobicContact CG2-CD1 3.74Å; T122-L153 HydrophobicContact CG2-CD2 4.04Å; T122-L153 HydrophobicContact CG2-CG 3.8Å; E143-L153 HydrophobicContact CB-CD1 4.35Å; A147-L153 HydrophobicContact CB-CB 4.05Å; A147-L153 HydrophobicContact CB-CD1 3.72Å
154	V	95.4	Very high	98	Very high	44 Å²	44	30.2 Å²	30.2	27%	0.267	19%	0.186	S	C	.	.			trans	-118.6	114.1	-175.9	180	0	0	0	0	108.7	E143 K152 L156 T193 A214	E143-V154 WeakPolarHBondContact CG-O 3.36Å; K152-V154 HydrophobicContact CB-CG2 4.32Å; V154-L156 HydrophobicContact CG1-CD2 4.32Å; V154-L156 WeakPolarHBondContact O-CG 3.02Å; V154-L156 PolarHBondContact O-N 3.4Å; V154-T193 HydrophobicContact CG1-CG2 3.73Å; V154-A214 HydrophobicContact CG1-CB 4.4Å
155	P	98.4	Very high	98	Very high	63 Å²	63	30.1 Å²	30.1	41%	0.409	19%	0.186	S	C	.	.			trans	-60.9	126.5	174.6	-24.5	35.2	0	0	0	112	E143 T193 E194	E143-P155 WeakPolarHBondContact OE1-CA 3.46Å; P155-T193 WeakPolarHBondContact O-CA 3.41Å; P155-T193 WeakPolarHBondContact O-CB 3.37Å; P155-E194 HydrophobicContact CB-CB 4.13Å; P155-E194 PolarHBondContact O-N 3.04Å
156	L	98.8	Very high	98	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-103.5	155.7	-175.4	-59.1	176.4	0	0	0	111.7	K125 T139 L142 E143 V154 E158 L191 A215	K125-L156 PolarHBondContact NZ-O 2.98Å; T139-L156 HydrophobicContact CG2-CB 3.98Å; L142-L156 HydrophobicContact CB-CD1 3.94Å; L142-L156 HydrophobicContact CD2-CD1 3.73Å; L142-L156 HydrophobicContact CG-CD1 3.65Å; E143-L156 HydrophobicContact CG-CB 4.15Å; E143-L156 HydrophobicContact CG-CD1 3.85Å; E143-L156 HydrophobicContact CG-CG 3.71Å; E143-L156 PolarHBondContact OE1-N 2.83Å; V154-L156 HydrophobicContact CG1-CD2 4.32Å; V154-L156 WeakPolarHBondContact O-CG 3.02Å; V154-L156 PolarHBondContact O-N 3.4Å; L156-E158 PolarHBondContact O-N 3.24Å; L156-L191 HydrophobicContact CB-CD2 3.78Å; L156-L191 HydrophobicContact CB-CG 4.48Å; L156-L191 HydrophobicContact CD1-CD2 4.05Å; L156-L191 HydrophobicContact CG-CD2 4.4Å; L156-A215 HydrophobicContact CD1-CB 3.67Å; L156-A215 HydrophobicContact CD2-CB 3.63Å; L156-A215 HydrophobicContact CG-CB 4.32Å
157	S	98.8	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.235	C	C	.	.			trans	-78	112.6	-177.2	177.6	0	0	0	0	111.6	Q159 Q160 M192 Y197	S157-Q159 VanDerWaalsContact C-N 3.26Å; S157-Q159 PolarHBondContact OG-N 3.21Å; S157-Q160 PolarHBondContact OG-N 3.24Å; S157-M192 PolarHBondContact N-O 2.92Å; S157-Y197 VanDerWaalsContact CB-O 3.28Å; S157-Y197 WeakPolarHBondContact CB-O 3.29Å; S157-Y197 WeakPolarHBondContact OG-CB 3.35Å; S157-Y197 PolarHBondContact OG-O 2.79Å
158	E	98.9	Very high	97.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-33	164.7	-74.4	83.6	-160.4	0	0	111.8	K125 T135 F136 T139 L156 Q160 L161 V162 Y199	K125-E158 WeakPolarHBondContact CD-OE1 3.29Å; K125-E158 IonicContact NZ-OE1 2.71Å; K125-E158 PolarHBondContact NZ-OE1 3.34Å; K125-E158 IonicContact NZ-OE2 2.84Å; K125-E158 PolarHBondContact NZ-OE2 2.84Å; T135-E158 WeakPolarHBondContact OG1-CB 3.37Å; T135-E158 WeakPolarHBondContact OG1-CG 3.23Å; F136-E158 HydrophobicContact CB-CG 4.48Å; F136-E158 HydrophobicContact CD1-CG 3.64Å; F136-E158 HydrophobicContact CD2-CG 3.94Å; F136-E158 HydrophobicContact CE1-CB 4.42Å; F136-E158 HydrophobicContact CE1-CG 3.65Å; F136-E158 HydrophobicContact CE2-CB 4.24Å; F136-E158 HydrophobicContact CE2-CG 3.94Å; F136-E158 HydrophobicContact CG-CG 3.79Å; F136-E158 HydrophobicContact CZ-CB 4.15Å; F136-E158 HydrophobicContact CZ-CG 3.81Å; T139-E158 VanDerWaalsContact CB-OE1 3.27Å; T139-E158 WeakPolarHBondContact CB-OE1 3.36Å; T139-E158 HydrophobicContact CG2-CG 3.87Å; T139-E158 PolarHBondContact OG1-OE1 2.8Å; L156-E158 PolarHBondContact O-N 3.24Å; E158-Q160 PolarHBondContact O-N 2.82Å; E158-L161 WeakPolarHBondContact O-CB 3.04Å; E158-L161 PolarHBondContact O-N 2.79Å; E158-L161 VanDerWaalsContact O-N 3.09Å; E158-V162 PolarHBondContact O-N 3.42Å; E158-V162 VanDerWaalsContact O-N 3.08Å; E158-Y199 HydrophobicContact CB-CD2 3.66Å; E158-Y199 HydrophobicContact CB-CE2 3.98Å
159	Q	98.9	Very high	97.6	Very high	1 Å²	1	45 Å²	45	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-38.2	-174.6	-163.7	60.5	45.4	0	0	112.7	S157 L161 V162 D163 Y197 P198 Y199 T200 V202	S157-Q159 VanDerWaalsContact C-N 3.26Å; S157-Q159 PolarHBondContact OG-N 3.21Å; Q159-L161 PolarHBondContact O-N 3.45Å; Q159-V162 WeakPolarHBondContact O-CB 3.17Å; Q159-V162 PolarHBondContact O-N 3.47Å; Q159-V162 VanDerWaalsContact O-N 3.13Å; Q159-D163 PolarHBondContact NE2-OD1 2.69Å; Q159-D163 PolarHBondContact NE2-OD2 2.58Å; Q159-D163 WeakPolarHBondContact O-CB 3.35Å; Q159-D163 PolarHBondContact O-N 3.04Å; Q159-Y197 HydrophobicContact CB-CD1 3.73Å; Q159-Y197 HydrophobicContact CB-CE1 3.84Å; Q159-Y197 HydrophobicContact CG-CD1 3.8Å; Q159-Y197 HydrophobicContact CG-CE1 3.44Å; Q159-Y197 VanDerWaalsContact CG-CE1 3.44Å; Q159-P198 WeakPolarHBondContact CB-O 3.39Å; Q159-P198 WeakPolarHBondContact CG-O 3.45Å; Q159-Y199 HydrophobicContact CB-CD2 4.36Å; Q159-T200 VanDerWaalsContact CD-OG1 3.29Å; Q159-T200 PolarHBondContact NE2-OG1 3.12Å; Q159-T200 PolarHBondContact OE1-OG1 3.32Å; Q159-T200 VanDerWaalsContact OE1-OG1 3.09Å; Q159-V202 PolarHBondContact NE2-O 2.96Å
160	Q	98.9	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-38.8	173.9	-174.3	-174	-32.8	0	0	111	S157 E158 D163 C164 Y184 N188 G190 L191 M192 Y197	S157-Q160 PolarHBondContact OG-N 3.24Å; E158-Q160 PolarHBondContact O-N 2.82Å; Q160-D163 PolarHBondContact O-N 2.9Å; Q160-C164 HydrophobicContact CG-CB 4.38Å; Q160-C164 WeakPolarHBondContact O-CB 3.04Å; Q160-C164 PolarHBondContact O-N 2.88Å; Q160-C164 PolarHBondContact O-SG 3.13Å; Q160-C164 VanDerWaalsContact O-SG 3.41Å; Q160-Y184 PolarHBondContact NE2-OH 2.96Å; Q160-N188 PolarHBondContact NE2-ND2 3.3Å; Q160-G190 PolarHBondContact NE2-O 3.31Å; Q160-L191 HydrophobicContact CB-CD1 3.96Å; Q160-L191 HydrophobicContact CG-CD1 4.09Å; Q160-M192 VanDerWaalsContact OE1-CB 3.31Å; Q160-M192 VanDerWaalsContact OE1-CG 3.3Å; Q160-Y197 HydrophobicContact CB-CD2 3.75Å; Q160-Y197 HydrophobicContact CB-CE2 3.94Å; Q160-Y197 HydrophobicContact CB-CG 4.37Å; Q160-Y197 HydrophobicContact CG-CD2 4.18Å; Q160-Y197 HydrophobicContact CG-CE2 4.15Å
161	L	98.9	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-43.5	176.7	-61.2	177.6	0	0	0	111.4	W134 T135 T138 T139 E158 Q159 D163 A165 A181 Y184 I185 L191	W134-L161 HydrophobicContact CH2-CB 3.88Å; W134-L161 VanDerWaalsContact CH2-O 3.32Å; W134-L161 WeakPolarHBondContact CH2-O 3.37Å; W134-L161 HydrophobicContact CZ3-CB 4.02Å; T135-L161 HydrophobicContact CG2-CB 3.57Å; T135-L161 HydrophobicContact CG2-CD1 4.32Å; T138-L161 HydrophobicContact CG2-CD1 3.71Å; T139-L161 HydrophobicContact CG2-CD1 4.13Å; E158-L161 WeakPolarHBondContact O-CB 3.04Å; E158-L161 PolarHBondContact O-N 2.79Å; E158-L161 VanDerWaalsContact O-N 3.09Å; Q159-L161 PolarHBondContact O-N 3.45Å; L161-D163 VanDerWaalsContact C-N 3.26Å; L161-D163 PolarHBondContact O-N 2.88Å; L161-A165 WeakPolarHBondContact O-CB 3.39Å; L161-A165 PolarHBondContact O-N 3.48Å; L161-A181 HydrophobicContact CD1-CB 4.44Å; L161-A181 HydrophobicContact CD2-CB 4.4Å; L161-Y184 HydrophobicContact CD2-CD1 3.56Å; L161-Y184 HydrophobicContact CD2-CE1 3.76Å; L161-I185 HydrophobicContact CD2-CD1 4.13Å; L161-I185 HydrophobicContact CD2-CG1 4.02Å; L161-L191 HydrophobicContact CD2-CD1 3.77Å; L161-L191 HydrophobicContact CG-CD1 3.95Å
162	V	98.8	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.9	-43.4	175.2	175.2	0	0	0	0	111	T135 E158 Q159 Q166 G172 Y199 E203	T135-V162 HydrophobicContact CG2-CG2 3.84Å; E158-V162 PolarHBondContact O-N 3.42Å; E158-V162 VanDerWaalsContact O-N 3.08Å; Q159-V162 WeakPolarHBondContact O-CB 3.17Å; Q159-V162 PolarHBondContact O-N 3.47Å; Q159-V162 VanDerWaalsContact O-N 3.13Å; V162-Q166 PolarHBondContact O-NE2 3.42Å; V162-G172 WeakPolarHBondContact O-CA 3.32Å; V162-Y199 HydrophobicContact CG2-CE2 4.26Å; V162-E203 HydrophobicContact CG1-CG 3.9Å
163	D	98.8	Very high	97.8	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-91.3	-25.4	-169.2	-65.2	-9	0	0	0	114.1	Q159 Q160 L161 Q166 Y197 G204	Q159-D163 PolarHBondContact NE2-OD1 2.69Å; Q159-D163 PolarHBondContact NE2-OD2 2.58Å; Q159-D163 WeakPolarHBondContact O-CB 3.35Å; Q159-D163 PolarHBondContact O-N 3.04Å; Q160-D163 PolarHBondContact O-N 2.9Å; L161-D163 VanDerWaalsContact C-N 3.26Å; L161-D163 PolarHBondContact O-N 2.88Å; D163-Q166 PolarHBondContact O-NE2 3.35Å; D163-Q166 PolarHBondContact O-OE1 2.8Å; D163-Q166 VanDerWaalsContact O-OE1 3.09Å; D163-Y197 VanDerWaalsContact CB-OH 3.28Å; D163-Y197 WeakPolarHBondContact CB-OH 3.25Å; D163-Y197 WeakPolarHBondContact OD2-CE1 3.45Å; D163-Y197 PolarHBondContact OD2-OH 3.32Å; D163-G204 WeakPolarHBondContact OD1-CA 3.37Å; D163-G204 PolarHBondContact OD1-N 3.16Å
164	C	98.8	Very high	97.7	Very high	13 Å²	13	33.4 Å²	33.4	9%	0.088	18%	0.179	C	C	.	.	H	α-helix	trans	-122.4	-11.7	-166	-55.3	0	0	0	0	116.3	Q160 Q166 Y184 C206	Q160-C164 HydrophobicContact CG-CB 4.38Å; Q160-C164 WeakPolarHBondContact O-CB 3.04Å; Q160-C164 PolarHBondContact O-N 2.88Å; Q160-C164 PolarHBondContact O-SG 3.13Å; Q160-C164 VanDerWaalsContact O-SG 3.41Å; C164-Q166 VanDerWaalsContact C-N 3.35Å; C164-Q166 VanDerWaalsContact CA-OE1 3.32Å; C164-Q166 PolarHBondContact O-N 2.86Å; C164-Y184 HydrophobicContact CB-CE2 4.03Å; C164-Y184 WeakPolarHBondContact CB-OH 3.28Å; C164-Y184 VanDerWaalsContact O-CE2 3.32Å; C164-Y184 WeakPolarHBondContact O-CE2 3.41Å; C164-C206 HydrophobicContact CB-CB 3.92Å; C164-C206 WeakPolarHBondContact CB-SG 3.32Å; C164-C206 WeakPolarHBondContact SG-CA 3.42Å; C164-C206 WeakPolarHBondContact SG-CB 3.34Å; C164-C206 CovalentContact SG-SG 2.04Å; C164-C206 PolarHBondContact SG-SG 3.31Å
165	A	98.4	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.			trans	-92	16.1	-168.6	0	0	0	0	0	114.8	W134 L161 D167 F168 N170 Y184	W134-A165 HydrophobicContact CH2-CB 4.06Å; W134-A165 HydrophobicContact CZ3-CB 4.45Å; L161-A165 WeakPolarHBondContact O-CB 3.39Å; L161-A165 PolarHBondContact O-N 3.48Å; A165-D167 PolarHBondContact O-N 3.19Å; A165-F168 PolarHBondContact O-N 3.22Å; A165-N170 HydrophobicContact CB-CB 4.2Å; A165-N170 PolarHBondContact O-ND2 2.83Å; A165-N170 VanDerWaalsContact O-ND2 3.09Å; A165-Y184 HydrophobicContact CB-CD1 3.89Å; A165-Y184 HydrophobicContact CB-CD2 4.09Å; A165-Y184 HydrophobicContact CB-CE1 4.41Å; A165-Y184 HydrophobicContact CB-CG 3.72Å
166	Q	97.3	Very high	97.6	Very high	81 Å²	81	28.3 Å²	28.3	38%	0.379	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-68.2	-31.9	-170.5	-62.3	80.3	1.8	0	0	113.3	V162 D163 C164 F168 N169 N170	V162-Q166 PolarHBondContact O-NE2 3.42Å; D163-Q166 PolarHBondContact O-NE2 3.35Å; D163-Q166 PolarHBondContact O-OE1 2.8Å; D163-Q166 VanDerWaalsContact O-OE1 3.09Å; C164-Q166 VanDerWaalsContact C-N 3.35Å; C164-Q166 VanDerWaalsContact CA-OE1 3.32Å; C164-Q166 PolarHBondContact O-N 2.86Å; Q166-F168 PolarHBondContact O-N 3.23Å; Q166-N169 PolarHBondContact O-N 3.19Å; Q166-N170 VanDerWaalsContact CA-O 3.3Å; Q166-N170 WeakPolarHBondContact CA-O 3.33Å
167	D	97.6	Very high	97.5	Very high	155 Å²	155	28.5 Å²	28.5	83%	0.829	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-61.9	-12.3	175.9	-72.2	-15.5	0	0	0	113.5	A165	A165-D167 PolarHBondContact O-N 3.19Å
168	F	95.8	Very high	97.5	Very high	52 Å²	52	28.8 Å²	28.8	23%	0.228	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-104.8	19.7	178.3	-69.8	-96.1	0	0	0	113	A165 Q166 N170 Q180 E183 Y184 Y187	A165-F168 PolarHBondContact O-N 3.22Å; Q166-F168 PolarHBondContact O-N 3.23Å; F168-N170 VanDerWaalsContact C-N 3.34Å; F168-Q180 HydrophobicContact CB-CB 4.49Å; F168-Q180 WeakPolarHBondContact O-CB 3.33Å; F168-Q180 WeakPolarHBondContact O-CG 3.4Å; F168-E183 HydrophobicContact CD1-CB 3.68Å; F168-E183 HydrophobicContact CE1-CB 3.88Å; F168-Y184 AromaticContact CD2-CD2 3.97Å; F168-Y184 HydrophobicContact CD2-CD2 3.97Å; F168-Y184 HydrophobicContact CD2-CG 4.29Å; F168-Y184 HydrophobicContact CE2-CD2 4.1Å; F168-Y187 AromaticContact CE1-CD2 3.52Å; F168-Y187 HydrophobicContact CE1-CD2 3.52Å; F168-Y187 HydrophobicContact CE1-CE2 4.19Å; F168-Y187 HydrophobicContact CE1-CG 4.3Å; F168-Y187 AromaticContact CZ-CD2 3.69Å; F168-Y187 HydrophobicContact CZ-CD2 3.69Å; F168-Y187 HydrophobicContact CZ-CG 4.01Å
169	N	94.9	Very high	97.4	Very high	107 Å²	107	30 Å²	30	57%	0.572	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	33.8	-175.4	-54.4	-57.2	0	0	0	114	Q166 H171 Q180	Q166-N169 PolarHBondContact O-N 3.19Å; N169-H171 PolarHBondContact O-CE1 3.06Å; N169-H171 PolarHBondContact O-ND1 2.84Å; N169-Q180 PolarHBondContact O-OE1 2.82Å
170	N	96.3	Very high	97.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	16%	0.164	C	C	.	.			trans	-98	155	164.2	-55	-72.7	0	0	0	109.7	W134 A165 Q166 F168 G176 L177	W134-N170 HydrophobicContact CH2-CB 3.41Å; W134-N170 VanDerWaalsContact CH2-CB 3.41Å; W134-N170 HydrophobicContact CZ2-CB 3.8Å; W134-N170 HydrophobicContact CZ3-CB 3.81Å; W134-N170 VanDerWaalsContact CZ3-CG 3.49Å; W134-N170 WeakPolarHBondContact CZ3-OD1 3.12Å; A165-N170 HydrophobicContact CB-CB 4.2Å; A165-N170 PolarHBondContact O-ND2 2.83Å; A165-N170 VanDerWaalsContact O-ND2 3.09Å; Q166-N170 VanDerWaalsContact CA-O 3.3Å; Q166-N170 WeakPolarHBondContact CA-O 3.33Å; F168-N170 VanDerWaalsContact C-N 3.34Å; N170-G176 WeakPolarHBondContact OD1-CA 3.41Å; N170-L177 PolarHBondContact OD1-N 3.01Å
171	H	96.9	Very high	97.3	Very high	69 Å²	69	31.3 Å²	31.3	32%	0.319	16%	0.164	S	C	.	.			trans	-133.6	36.3	-166	-51.1	91.8	0	0	0	111.4	N169 C173 N174 G175	N169-H171 PolarHBondContact O-CE1 3.06Å; N169-H171 PolarHBondContact O-ND1 2.84Å; H171-C173 PolarHBondContact O-N 2.96Å; H171-N174 HydrophobicContact CB-CB 4.04Å; H171-N174 WeakPolarHBondContact O-CA 3.2Å; H171-N174 VanDerWaalsContact O-CB 3.28Å; H171-N174 WeakPolarHBondContact O-CB 3.49Å; H171-N174 PolarHBondContact O-N 3.49Å; H171-N174 PolarHBondContact O-ND2 3.47Å; H171-G175 CarbonylContact C-O 3.58Å; H171-G175 WeakPolarHBondContact CA-O 3.05Å; H171-G175 WeakPolarHBondContact CB-O 3.19Å; H171-G175 PolarHBondContact N-O 3.41Å
172	G	97.4	Very high	97.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	56.8	-119.8	176	0	0	0	0	0	113.2	W134 V162 N174	W134-G172 PolarHBondContact NE1-O 2.86Å; V162-G172 WeakPolarHBondContact O-CA 3.32Å; G172-N174 VanDerWaalsContact C-N 3.28Å
173	C	97.7	Very high	97.3	Very high	25 Å²	25	33.9 Å²	33.9	17%	0.169	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-78.9	-9.1	177.9	-72.2	0	0	0	0	113.7	C130 G131 H171 E203	C130-C173 HydrophobicContact CB-CB 3.97Å; C130-C173 WeakPolarHBondContact CB-SG 3.25Å; C130-C173 WeakPolarHBondContact SG-CA 3.25Å; C130-C173 WeakPolarHBondContact SG-CB 3.5Å; C130-C173 CovalentContact SG-SG 2.04Å; C130-C173 PolarHBondContact SG-SG 2.84Å; G131-C173 CarbonylContact C-O 3.44Å; G131-C173 WeakPolarHBondContact CA-O 3.24Å; G131-C173 PolarHBondContact N-O 3.45Å; H171-C173 PolarHBondContact O-N 2.96Å; C173-E203 HydrophobicContact CB-CG 4.33Å; C173-E203 PolarHBondContact N-OE1 2.79Å
174	N	96.1	Very high	97.2	Very high	74 Å²	74	33.7 Å²	33.7	40%	0.396	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-87.5	-14	176.7	-57.9	-66.3	0	0	0	112.4	S89 H171 G172 E203	S89-N174 PolarHBondContact N-O 2.82Å; S89-N174 WeakPolarHBondContact OG-CA 3.43Å; S89-N174 VanDerWaalsContact OG-CB 3.3Å; S89-N174 WeakPolarHBondContact OG-CB 3.46Å; S89-N174 PolarHBondContact OG-O 2.71Å; S89-N174 VanDerWaalsContact OG-O 3.05Å; H171-N174 HydrophobicContact CB-CB 4.04Å; H171-N174 WeakPolarHBondContact O-CA 3.2Å; H171-N174 VanDerWaalsContact O-CB 3.28Å; H171-N174 WeakPolarHBondContact O-CB 3.49Å; H171-N174 PolarHBondContact O-N 3.49Å; H171-N174 PolarHBondContact O-ND2 3.47Å; G172-N174 VanDerWaalsContact C-N 3.28Å; N174-E203 PolarHBondContact ND2-OE1 3Å
175	G	96.3	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.			trans	135.2	-177	168.8	0	0	0	0	0	114.8	W134 H171	W134-G175 VanDerWaalsContact CD1-C 3.49Å; W134-G175 VanDerWaalsContact NE1-C 3.33Å; W134-G175 PolarHBondContact NE1-O 2.95Å; H171-G175 CarbonylContact C-O 3.58Å; H171-G175 WeakPolarHBondContact CA-O 3.05Å; H171-G175 WeakPolarHBondContact CB-O 3.19Å; H171-G175 PolarHBondContact N-O 3.41Å
176	G	96.4	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.			trans	171.9	-178.8	-178.4	0	0	0	0	0	110.7	W134 N170	W134-G176 VanDerWaalsContact CB-O 3.25Å; W134-G176 WeakPolarHBondContact CB-O 3.47Å; W134-G176 VanDerWaalsContact CD1-N 3.33Å; N170-G176 WeakPolarHBondContact OD1-CA 3.41Å
177	L	96.8	Very high	97.3	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.186	C	C	.	.			trans	-127.7	140.9	178.2	-69.4	172.7	0	0	0	112.2	Q92 N93 N170 S179 Q180 A181	Q92-L177 HydrophobicContact CB-CD1 3.85Å; Q92-L177 HydrophobicContact CB-CD2 3.72Å; Q92-L177 HydrophobicContact CB-CG 3.64Å; Q92-L177 HydrophobicContact CG-CD2 4.29Å; Q92-L177 HydrophobicContact CG-CG 4.24Å; N93-L177 VanDerWaalsContact O-CD1 3.24Å; N93-L177 WeakPolarHBondContact O-CD1 3.06Å; N170-L177 PolarHBondContact OD1-N 3.01Å; L177-S179 VanDerWaalsContact C-N 3.29Å; L177-S179 PolarHBondContact O-N 2.9Å; L177-Q180 HydrophobicContact CB-CB 4.33Å; L177-Q180 HydrophobicContact CB-CG 4.24Å; L177-Q180 PolarHBondContact O-N 3.48Å; L177-Q180 VanDerWaalsContact O-N 3.17Å; L177-A181 PolarHBondContact O-N 2.99Å
178	P	98.1	Very high	97.4	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-55.9	-40	176.3	-27.9	35.7	0	0	0	114.2	T138 Q180 A181 F182 A274	T138-P178 WeakPolarHBondContact OG1-CA 3.33Å; P178-Q180 PolarHBondContact O-N 3.4Å; P178-A181 WeakPolarHBondContact O-CB 3.02Å; P178-A181 PolarHBondContact O-N 3.45Å; P178-F182 HydrophobicContact CB-CE2 3.88Å; P178-F182 HydrophobicContact CB-CZ 4.24Å; P178-F182 WeakPolarHBondContact O-CD2 3.49Å; P178-F182 WeakPolarHBondContact O-CE2 3.36Å; P178-F182 WeakPolarHBondContact O-CG 3.47Å; P178-F182 PolarHBondContact O-N 2.95Å; P178-A274 HydrophobicContact CG-CB 4.19Å
179	S	96.8	Very high	97.5	Very high	27 Å²	27	36.1 Å²	36.1	19%	0.189	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-45.1	177.9	53	0	0	0	0	112.5	L177 A181 F182 E183 N222 S321	L177-S179 VanDerWaalsContact C-N 3.29Å; L177-S179 PolarHBondContact O-N 2.9Å; S179-A181 VanDerWaalsContact C-N 3.34Å; S179-F182 PolarHBondContact O-N 3.07Å; S179-E183 WeakPolarHBondContact O-CG 3.49Å; S179-E183 PolarHBondContact O-N 2.56Å; S179-E183 VanDerWaalsContact O-N 3.08Å; S179-N222 VanDerWaalsContact CB-OD1 3.29Å; S179-N222 WeakPolarHBondContact CB-OD1 3.49Å; S179-S321 PolarHBondContact N-OG 2.97Å
180	Q	96.8	Very high	97.6	Very high	28 Å²	28	31 Å²	31	13%	0.131	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-38	176.3	-71.5	169.3	-24	0	0	111.8	F168 N169 L177 P178 E183 Y184	F168-Q180 HydrophobicContact CB-CB 4.49Å; F168-Q180 WeakPolarHBondContact O-CB 3.33Å; F168-Q180 WeakPolarHBondContact O-CG 3.4Å; N169-Q180 PolarHBondContact O-OE1 2.82Å; L177-Q180 HydrophobicContact CB-CB 4.33Å; L177-Q180 HydrophobicContact CB-CG 4.24Å; L177-Q180 PolarHBondContact O-N 3.48Å; L177-Q180 VanDerWaalsContact O-N 3.17Å; P178-Q180 PolarHBondContact O-N 3.4Å; Q180-E183 WeakPolarHBondContact O-CB 3.18Å; Q180-E183 PolarHBondContact O-N 3.35Å; Q180-Y184 PolarHBondContact O-N 3.04Å
181	A	98.4	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-40.3	175	0	0	0	0	0	112.1	W134 T138 L161 L177 P178 S179 E183 Y184 I185	W134-A181 HydrophobicContact CE3-CB 3.89Å; W134-A181 HydrophobicContact CZ3-CB 3.63Å; T138-A181 HydrophobicContact CG2-CB 3.56Å; T138-A181 WeakPolarHBondContact OG1-CB 3.36Å; L161-A181 HydrophobicContact CD1-CB 4.44Å; L161-A181 HydrophobicContact CD2-CB 4.4Å; L177-A181 PolarHBondContact O-N 2.99Å; P178-A181 WeakPolarHBondContact O-CB 3.02Å; P178-A181 PolarHBondContact O-N 3.45Å; S179-A181 VanDerWaalsContact C-N 3.34Å; A181-E183 VanDerWaalsContact C-N 3.34Å; A181-Y184 WeakPolarHBondContact O-CB 3.2Å; A181-Y184 PolarHBondContact O-N 3.35Å; A181-I185 VanDerWaalsContact O-CG1 3.27Å; A181-I185 WeakPolarHBondContact O-CG1 3.36Å; A181-I185 PolarHBondContact O-N 3.29Å
182	F	98.7	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.7	-39.6	174	-61.8	-47.1	0	0	0	112	T138 C141 L142 P178 S179 I185 M186 V217 V220 P323	T138-F182 HydrophobicContact CG2-CD1 3.58Å; T138-F182 HydrophobicContact CG2-CE1 3.36Å; T138-F182 HydrophobicContact CG2-CG 4.44Å; T138-F182 HydrophobicContact CG2-CZ 4.07Å; T138-F182 WeakPolarHBondContact O-CE1 3.42Å; C141-F182 HydrophobicContact CB-CE1 4.29Å; C141-F182 HydrophobicContact CB-CZ 3.76Å; L142-F182 HydrophobicContact CB-CE1 4.37Å; P178-F182 HydrophobicContact CB-CE2 3.88Å; P178-F182 HydrophobicContact CB-CZ 4.24Å; P178-F182 WeakPolarHBondContact O-CD2 3.49Å; P178-F182 WeakPolarHBondContact O-CE2 3.36Å; P178-F182 WeakPolarHBondContact O-CG 3.47Å; P178-F182 PolarHBondContact O-N 2.95Å; S179-F182 PolarHBondContact O-N 3.07Å; F182-I185 HydrophobicContact CD1-CD1 4.45Å; F182-I185 PolarHBondContact O-N 3.09Å; F182-M186 WeakPolarHBondContact O-CB 3.16Å; F182-M186 PolarHBondContact O-N 3.13Å; F182-V217 HydrophobicContact CB-CG1 4.45Å; F182-V217 HydrophobicContact CD1-CG2 4.39Å; F182-V220 HydrophobicContact CB-CB 4.45Å; F182-V220 HydrophobicContact CB-CG1 4.02Å; F182-V220 HydrophobicContact CB-CG2 3.63Å; F182-V220 HydrophobicContact CD2-CG1 4.27Å; F182-P323 HydrophobicContact CD1-CB 3.86Å; F182-P323 HydrophobicContact CD1-CG 3.9Å; F182-P323 HydrophobicContact CE1-CB 4.18Å; F182-P323 HydrophobicContact CE1-CG 3.69Å; F182-P323 HydrophobicContact CG-CB 4.11Å; F182-P323 HydrophobicContact CG-CG 4.48Å; F182-P323 HydrophobicContact CZ-CG 4.12Å
183	E	98.2	Very high	97.9	Very high	54 Å²	54	28.6 Å²	28.6	25%	0.252	14%	0.138	S	C	.	.	H	α-helix	trans	-60.5	-47.2	172.7	-67.7	-70.4	163.6	0	0	110.7	F168 S179 Q180 A181 I185 M186 Y187 V220	F168-E183 HydrophobicContact CD1-CB 3.68Å; F168-E183 HydrophobicContact CE1-CB 3.88Å; S179-E183 WeakPolarHBondContact O-CG 3.49Å; S179-E183 PolarHBondContact O-N 2.56Å; S179-E183 VanDerWaalsContact O-N 3.08Å; Q180-E183 WeakPolarHBondContact O-CB 3.18Å; Q180-E183 PolarHBondContact O-N 3.35Å; A181-E183 VanDerWaalsContact C-N 3.34Å; E183-I185 PolarHBondContact O-N 3.07Å; E183-M186 WeakPolarHBondContact O-CB 3.31Å; E183-M186 PolarHBondContact O-N 3.24Å; E183-M186 WeakPolarHBondContact OE2-CE 3.49Å; E183-Y187 WeakPolarHBondContact O-CD2 3.49Å; E183-Y187 PolarHBondContact O-N 2.84Å; E183-Y187 VanDerWaalsContact OE2-CE2 3.25Å; E183-Y187 WeakPolarHBondContact OE2-CE2 3.48Å; E183-V220 HydrophobicContact CG-CG2 3.97Å; E183-V220 WeakPolarHBondContact OE1-CB 3.45Å; E183-V220 WeakPolarHBondContact OE1-CG2 3.29Å
184	Y	98.6	Very high	98	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-51.8	-53.1	172.9	161.4	-100.9	0	0	0	111	Q160 L161 C164 A165 F168 Q180 A181 M186 Y187 N188	Q160-Y184 PolarHBondContact NE2-OH 2.96Å; L161-Y184 HydrophobicContact CD2-CD1 3.56Å; L161-Y184 HydrophobicContact CD2-CE1 3.76Å; C164-Y184 HydrophobicContact CB-CE2 4.03Å; C164-Y184 WeakPolarHBondContact CB-OH 3.28Å; C164-Y184 VanDerWaalsContact O-CE2 3.32Å; C164-Y184 WeakPolarHBondContact O-CE2 3.41Å; A165-Y184 HydrophobicContact CB-CD1 3.89Å; A165-Y184 HydrophobicContact CB-CD2 4.09Å; A165-Y184 HydrophobicContact CB-CE1 4.41Å; A165-Y184 HydrophobicContact CB-CG 3.72Å; F168-Y184 AromaticContact CD2-CD2 3.97Å; F168-Y184 HydrophobicContact CD2-CD2 3.97Å; F168-Y184 HydrophobicContact CD2-CG 4.29Å; F168-Y184 HydrophobicContact CE2-CD2 4.1Å; Q180-Y184 PolarHBondContact O-N 3.04Å; A181-Y184 WeakPolarHBondContact O-CB 3.2Å; A181-Y184 PolarHBondContact O-N 3.35Å; Y184-M186 VanDerWaalsContact C-N 3.29Å; Y184-M186 PolarHBondContact O-N 3.07Å; Y184-Y187 PolarHBondContact O-N 3.05Å; Y184-N188 HydrophobicContact CD2-CB 4.04Å; Y184-N188 HydrophobicContact CE1-CB 4.38Å; Y184-N188 HydrophobicContact CE2-CB 3.7Å; Y184-N188 WeakPolarHBondContact O-CA 3.49Å; Y184-N188 WeakPolarHBondContact O-CB 3.44Å; Y184-N188 PolarHBondContact O-N 2.92Å; Y184-N188 PolarHBondContact OH-ND2 2.98Å; Y184-N188 VanDerWaalsContact OH-ND2 3.17Å
185	I	98.8	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-40.7	-178.4	-62.3	162.5	0	0	0	111.2	T138 L142 L161 A181 F182 E183 K189 G190 L191 V217	T138-I185 HydrophobicContact CG2-CD1 3.85Å; L142-I185 HydrophobicContact CD2-CD1 3.8Å; L142-I185 HydrophobicContact CD2-CG2 4.15Å; L161-I185 HydrophobicContact CD2-CD1 4.13Å; L161-I185 HydrophobicContact CD2-CG1 4.02Å; A181-I185 VanDerWaalsContact O-CG1 3.27Å; A181-I185 WeakPolarHBondContact O-CG1 3.36Å; A181-I185 PolarHBondContact O-N 3.29Å; F182-I185 HydrophobicContact CD1-CD1 4.45Å; F182-I185 PolarHBondContact O-N 3.09Å; E183-I185 PolarHBondContact O-N 3.07Å; I185-K189 PolarHBondContact O-N 3.4Å; I185-K189 VanDerWaalsContact O-N 3.14Å; I185-G190 PolarHBondContact O-N 3.13Å; I185-L191 HydrophobicContact CD1-CB 4.42Å; I185-L191 HydrophobicContact CD1-CD1 4.5Å; I185-L191 HydrophobicContact CD1-CD2 3.92Å; I185-L191 HydrophobicContact CG1-CB 4.25Å; I185-L191 HydrophobicContact CG1-CD1 4.27Å; I185-L191 HydrophobicContact CG1-CD2 4.47Å; I185-L191 HydrophobicContact CG2-CB 4.11Å; I185-V217 HydrophobicContact CB-CB 4.43Å; I185-V217 HydrophobicContact CB-CG2 3.93Å; I185-V217 HydrophobicContact CG2-CB 4.19Å; I185-V217 HydrophobicContact CG2-CG2 3.68Å
186	M	98.6	Very high	98.2	Very high	31 Å²	31	37.7 Å²	37.7	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-43.5	179.1	-178.8	176.6	69	0	0	112.7	F182 E183 Y184 K189 V217 K218	F182-M186 WeakPolarHBondContact O-CB 3.16Å; F182-M186 PolarHBondContact O-N 3.13Å; E183-M186 WeakPolarHBondContact O-CB 3.31Å; E183-M186 PolarHBondContact O-N 3.24Å; E183-M186 WeakPolarHBondContact OE2-CE 3.49Å; Y184-M186 VanDerWaalsContact C-N 3.29Å; Y184-M186 PolarHBondContact O-N 3.07Å; M186-K189 PolarHBondContact O-NZ 3Å; M186-V217 HydrophobicContact CB-CB 3.99Å; M186-V217 HydrophobicContact CB-CG1 3.98Å; M186-V217 WeakPolarHBondContact CG-O 3.3Å; M186-K218 VanDerWaalsContact SD-O 3.33Å
187	Y	98.6	Very high	98.3	Very high	142 Å²	142	38.6 Å²	38.6	56%	0.557	18%	0.178	S	C	*	.	H	α-helix	trans	-81.3	-36.5	179.9	-74.4	-72	0	0	0	112.9	F168 E183 Y184 K189	F168-Y187 AromaticContact CE1-CD2 3.52Å; F168-Y187 HydrophobicContact CE1-CD2 3.52Å; F168-Y187 HydrophobicContact CE1-CE2 4.19Å; F168-Y187 HydrophobicContact CE1-CG 4.3Å; F168-Y187 AromaticContact CZ-CD2 3.69Å; F168-Y187 HydrophobicContact CZ-CD2 3.69Å; F168-Y187 HydrophobicContact CZ-CG 4.01Å; E183-Y187 WeakPolarHBondContact O-CD2 3.49Å; E183-Y187 PolarHBondContact O-N 2.84Å; E183-Y187 VanDerWaalsContact OE2-CE2 3.25Å; E183-Y187 WeakPolarHBondContact OE2-CE2 3.48Å; Y184-Y187 PolarHBondContact O-N 3.05Å; Y187-K189 PolarHBondContact O-N 2.88Å
188	N	98.4	Very high	98.4	Very high	45 Å²	45	41.9 Å²	41.9	24%	0.241	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-12.8	175.2	-171	66.4	0	0	0	113.2	Q160 Y184 G190 Y208	Q160-N188 PolarHBondContact NE2-ND2 3.3Å; Y184-N188 HydrophobicContact CD2-CB 4.04Å; Y184-N188 HydrophobicContact CE1-CB 4.38Å; Y184-N188 HydrophobicContact CE2-CB 3.7Å; Y184-N188 WeakPolarHBondContact O-CA 3.49Å; Y184-N188 WeakPolarHBondContact O-CB 3.44Å; Y184-N188 PolarHBondContact O-N 2.92Å; Y184-N188 PolarHBondContact OH-ND2 2.98Å; Y184-N188 VanDerWaalsContact OH-ND2 3.17Å; N188-G190 PolarHBondContact ND2-O 3.49Å; N188-Y208 WeakPolarHBondContact ND2-CD1 3.4Å; N188-Y208 WeakPolarHBondContact ND2-CE1 3.23Å; N188-Y208 WeakPolarHBondContact ND2-CE2 3.38Å; N188-Y208 WeakPolarHBondContact O-CE1 3.18Å; N188-Y208 PolarHBondContact O-OH 2.69Å; N188-Y208 WeakPolarHBondContact OD1-CD1 3.43Å; N188-Y208 WeakPolarHBondContact OD1-CE1 3.47Å
189	K	98.4	Very high	98.4	Very high	134 Å²	134	43.6 Å²	43.6	58%	0.583	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	41.6	-177.7	-50.3	-58	169.3	-158.2	0	112.8	I185 M186 Y187 Y208 F216	I185-K189 PolarHBondContact O-N 3.4Å; I185-K189 VanDerWaalsContact O-N 3.14Å; M186-K189 PolarHBondContact O-NZ 3Å; Y187-K189 PolarHBondContact O-N 2.88Å; K189-Y208 PolarHBondContact O-OH 3.36Å; K189-F216 WeakPolarHBondContact O-CD1 3.35Å; K189-F216 WeakPolarHBondContact O-CE1 3.49Å
190	G	98.1	Very high	98.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.222	C	C	.	.			trans	128.3	174.8	163.1	0	0	0	0	0	115.1	Q160 I185 N188 A215	Q160-G190 PolarHBondContact NE2-O 3.31Å; I185-G190 PolarHBondContact O-N 3.13Å; N188-G190 PolarHBondContact ND2-O 3.49Å; G190-A215 CarbonylContact C-O 3.59Å; G190-A215 WeakPolarHBondContact CA-O 3.39Å
191	L	98.8	Very high	98.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.1	-179.5	-168.3	69.5	0	0	0	109.2	T139 L142 L156 Q160 L161 I185 A214 A215	T139-L191 HydrophobicContact CG2-CD2 4.06Å; L142-L191 HydrophobicContact CD2-CD2 4.32Å; L156-L191 HydrophobicContact CB-CD2 3.78Å; L156-L191 HydrophobicContact CB-CG 4.48Å; L156-L191 HydrophobicContact CD1-CD2 4.05Å; L156-L191 HydrophobicContact CG-CD2 4.4Å; Q160-L191 HydrophobicContact CB-CD1 3.96Å; Q160-L191 HydrophobicContact CG-CD1 4.09Å; L161-L191 HydrophobicContact CD2-CD1 3.77Å; L161-L191 HydrophobicContact CG-CD1 3.95Å; I185-L191 HydrophobicContact CD1-CB 4.42Å; I185-L191 HydrophobicContact CD1-CD1 4.5Å; I185-L191 HydrophobicContact CD1-CD2 3.92Å; I185-L191 HydrophobicContact CG1-CB 4.25Å; I185-L191 HydrophobicContact CG1-CD1 4.27Å; I185-L191 HydrophobicContact CG1-CD2 4.47Å; I185-L191 HydrophobicContact CG2-CB 4.11Å; L191-A214 PolarHBondContact O-N 2.54Å; L191-A215 PolarHBondContact N-O 3.13Å; L191-A215 PolarHBondContact O-N 3.19Å
192	M	98.8	Very high	98.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	165.5	177.6	-65.8	175.9	66.4	0	0	111.4	S157 Q160 D196 Y197 Y208 E209 M212	S157-M192 PolarHBondContact N-O 2.92Å; Q160-M192 VanDerWaalsContact OE1-CB 3.31Å; Q160-M192 VanDerWaalsContact OE1-CG 3.3Å; M192-D196 HydrophobicContact CE-CB 3.84Å; M192-Y197 HydrophobicContact SD-CD2 4Å; M192-Y208 HydrophobicContact CG-CD2 4.05Å; M192-Y208 HydrophobicContact CG-CE2 4.27Å; M192-Y208 HydrophobicContact SD-CD2 4.01Å; M192-E209 HydrophobicContact CE-CB 4.29Å; M192-E209 HydrophobicContact SD-CB 4.27Å; M192-E209 PolarHBondContact SD-N 2.95Å; M192-E209 VanDerWaalsContact SD-N 3.4Å; M192-M212 HydrophobicContact CE-CB 3.61Å; M192-M212 HydrophobicContact CE-CE 4.35Å; M192-M212 HydrophobicContact CE-CG 4.28Å; M192-M212 HydrophobicContact CE-SD 3.77Å; M192-M212 HydrophobicContact CG-CB 4.22Å; M192-M212 HydrophobicContact SD-CB 4.38Å
193	T	98.8	Very high	98.4	Very high	21 Å²	21	55 Å²	55	13%	0.129	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-78.3	157.4	175	76.9	0	0	0	0	111.7	V154 P155 K195 D196 Y197 A214	V154-T193 HydrophobicContact CG1-CG2 3.73Å; P155-T193 WeakPolarHBondContact O-CA 3.41Å; P155-T193 WeakPolarHBondContact O-CB 3.37Å; T193-K195 PolarHBondContact O-N 2.93Å; T193-K195 PolarHBondContact OG1-N 3.23Å; T193-D196 PolarHBondContact O-N 3.32Å; T193-D196 VanDerWaalsContact O-N 3.12Å; T193-D196 VanDerWaalsContact OG1-CG 3.23Å; T193-D196 PolarHBondContact OG1-N 3.38Å; T193-D196 PolarHBondContact OG1-OD2 3.01Å; T193-Y197 PolarHBondContact O-N 3.11Å; T193-A214 HydrophobicContact CG2-CB 3.36Å
194	E	98.6	Very high	98.3	Very high	48 Å²	48	54.5 Å²	54.5	22%	0.224	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.7	171.3	179.3	57.6	-157.7	0	0	112.1	P155 Y197 P198 Y199	P155-E194 HydrophobicContact CB-CB 4.13Å; P155-E194 PolarHBondContact O-N 3.04Å; E194-Y197 CarbonylContact O-C 3.15Å; E194-P198 WeakPolarHBondContact O-CA 3.43Å; E194-Y199 WeakPolarHBondContact OE1-CB 3.33Å; E194-Y199 PolarHBondContact OE1-N 3.06Å
195	K	98.3	Very high	98.3	Very high	182 Å²	182	60.4 Å²	60.4	79%	0.791	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-38.6	178.8	178.8	-175.2	171.2	-169.3	0	112	T193	T193-K195 PolarHBondContact O-N 2.93Å; T193-K195 PolarHBondContact OG1-N 3.23Å
196	D	98.4	Very high	98.2	Very high	61 Å²	61	63.3 Å²	63.3	33%	0.326	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-24.7	-173.4	-60.8	-44.8	0	0	0	112.3	M192 T193 M212	M192-D196 HydrophobicContact CE-CB 3.84Å; T193-D196 PolarHBondContact O-N 3.32Å; T193-D196 VanDerWaalsContact O-N 3.12Å; T193-D196 VanDerWaalsContact OG1-CG 3.23Å; T193-D196 PolarHBondContact OG1-N 3.38Å; T193-D196 PolarHBondContact OG1-OD2 3.01Å; D196-M212 HydrophobicContact CB-CE 3.48Å; D196-M212 VanDerWaalsContact CB-CE 3.48Å; D196-M212 VanDerWaalsContact OD1-CE 3.31Å; D196-M212 WeakPolarHBondContact OD1-CE 3.35Å
197	Y	98.7	Very high	98.1	Very high	19 Å²	19	70 Å²	70	8%	0.075	36%	0.363	C	S	.	.	S	Bend	trans	-138	82	173.8	-161.3	-23.8	0	0	0	109.8	S157 Q159 Q160 D163 M192 T193 E194 V205 Y207	S157-Y197 VanDerWaalsContact CB-O 3.28Å; S157-Y197 WeakPolarHBondContact CB-O 3.29Å; S157-Y197 WeakPolarHBondContact OG-CB 3.35Å; S157-Y197 PolarHBondContact OG-O 2.79Å; Q159-Y197 HydrophobicContact CB-CD1 3.73Å; Q159-Y197 HydrophobicContact CB-CE1 3.84Å; Q159-Y197 HydrophobicContact CG-CD1 3.8Å; Q159-Y197 HydrophobicContact CG-CE1 3.44Å; Q159-Y197 VanDerWaalsContact CG-CE1 3.44Å; Q160-Y197 HydrophobicContact CB-CD2 3.75Å; Q160-Y197 HydrophobicContact CB-CE2 3.94Å; Q160-Y197 HydrophobicContact CB-CG 4.37Å; Q160-Y197 HydrophobicContact CG-CD2 4.18Å; Q160-Y197 HydrophobicContact CG-CE2 4.15Å; D163-Y197 VanDerWaalsContact CB-OH 3.28Å; D163-Y197 WeakPolarHBondContact CB-OH 3.25Å; D163-Y197 WeakPolarHBondContact OD2-CE1 3.45Å; D163-Y197 PolarHBondContact OD2-OH 3.32Å; M192-Y197 HydrophobicContact SD-CD2 4Å; T193-Y197 PolarHBondContact O-N 3.11Å; E194-Y197 CarbonylContact O-C 3.15Å; Y197-V205 PolarHBondContact OH-O 2.7Å; Y197-Y207 PolarHBondContact OH-N 2.89Å; Y197-Y207 VanDerWaalsContact OH-N 3.09Å
198	P	98.5	Very high	98.1	Very high	72 Å²	72	65.3 Å²	65.3	47%	0.468	34%	0.344	S	S	.	.			trans	-67.9	149.5	-172.7	-22	34.4	0	0	0	114.5	Q159 E194	Q159-P198 WeakPolarHBondContact CB-O 3.39Å; Q159-P198 WeakPolarHBondContact CG-O 3.45Å; E194-P198 WeakPolarHBondContact O-CA 3.43Å
199	Y	98.8	Very high	98.1	Very high	43 Å²	43	67 Å²	67	17%	0.169	35%	0.35	C	S	.	.			trans	-71	133.1	176.4	-168.6	-109.9	0	0	0	113.6	Q127 S132 F136 E158 Q159 V162 E194 A201	Q127-Y199 WeakPolarHBondContact O-CE1 3.46Å; Q127-Y199 PolarHBondContact O-OH 2.85Å; S132-Y199 PolarHBondContact OG-OH 3.14Å; F136-Y199 HydrophobicContact CE2-CE1 4.11Å; F136-Y199 AromaticContact CE2-CE2 3.86Å; F136-Y199 HydrophobicContact CE2-CE2 3.86Å; F136-Y199 AromaticContact CE2-CZ 3.61Å; F136-Y199 AromaticContact CZ-CD1 3.98Å; F136-Y199 HydrophobicContact CZ-CD1 3.98Å; F136-Y199 HydrophobicContact CZ-CD2 4.16Å; F136-Y199 AromaticContact CZ-CE1 3.68Å; F136-Y199 HydrophobicContact CZ-CE1 3.68Å; F136-Y199 AromaticContact CZ-CE2 3.88Å; F136-Y199 HydrophobicContact CZ-CE2 3.88Å; F136-Y199 HydrophobicContact CZ-CG 4.2Å; F136-Y199 AromaticContact CZ-CZ 3.62Å; E158-Y199 HydrophobicContact CB-CD2 3.66Å; E158-Y199 HydrophobicContact CB-CE2 3.98Å; Q159-Y199 HydrophobicContact CB-CD2 4.36Å; V162-Y199 HydrophobicContact CG2-CE2 4.26Å; E194-Y199 WeakPolarHBondContact OE1-CB 3.33Å; E194-Y199 PolarHBondContact OE1-N 3.06Å; Y199-A201 HydrophobicContact CD1-CB 4.36Å; Y199-A201 HydrophobicContact CE1-CB 3.55Å
200	T	98.4	Very high	98.1	Very high	87 Å²	87	64.5 Å²	64.5	53%	0.534	35%	0.348	S	S	.	.			trans	-122.3	-9	-178.3	69.9	0	0	0	0	113.6	Q159 V202	Q159-T200 VanDerWaalsContact CD-OG1 3.29Å; Q159-T200 PolarHBondContact NE2-OG1 3.12Å; Q159-T200 PolarHBondContact OE1-OG1 3.32Å; Q159-T200 VanDerWaalsContact OE1-OG1 3.09Å; T200-V202 PolarHBondContact O-N 3.2Å; T200-V202 PolarHBondContact OG1-O 3.21Å
201	A	97.7	Very high	98.1	Very high	24 Å²	24	69.4 Å²	69.4	20%	0.198	38%	0.382	C	S	.	.	S	Bend	trans	58.2	23.7	-176.8	0	0	0	0	0	114.5	Q127 C130 Y199	Q127-A201 WeakPolarHBondContact O-CB 3.32Å; C130-A201 HydrophobicContact CB-CB 4.18Å; C130-A201 WeakPolarHBondContact CB-O 3.28Å; Y199-A201 HydrophobicContact CD1-CB 4.36Å; Y199-A201 HydrophobicContact CE1-CB 3.55Å
202	V	97.6	Very high	98.1	Very high	94 Å²	94	72.9 Å²	72.9	57%	0.57	40%	0.4	S	S	*	.	S	Bend	trans	-141.3	144.6	176.4	-176.3	0	0	0	0	108	Q159 T200 G204	Q159-V202 PolarHBondContact NE2-O 2.96Å; T200-V202 PolarHBondContact O-N 3.2Å; T200-V202 PolarHBondContact OG1-O 3.21Å; V202-G204 PolarHBondContact O-N 3Å
203	E	96.8	Very high	98	Very high	90 Å²	90	73.8 Å²	73.8	42%	0.421	41%	0.407	S	S	.	.			trans	-63.6	125.8	173.1	-69.1	176	-157.3	0	0	110.8	V162 C173 N174	V162-E203 HydrophobicContact CG1-CG 3.9Å; C173-E203 HydrophobicContact CB-CG 4.33Å; C173-E203 PolarHBondContact N-OE1 2.79Å; N174-E203 PolarHBondContact ND2-OE1 3Å
204	G	96.9	Very high	97.9	Very high	43 Å²	43	74.7 Å²	74.7	44%	0.443	42%	0.417	S	S	.	.			trans	-116.5	-170.8	179.2	0	0	0	0	0	112.8	D163 V202	D163-G204 WeakPolarHBondContact OD1-CA 3.37Å; D163-G204 PolarHBondContact OD1-N 3.16Å; V202-G204 PolarHBondContact O-N 3Å
205	V	97.6	Very high	97.9	Very high	132 Å²	132	72.6 Å²	72.6	80%	0.8	41%	0.407	S	S	*	.			trans	-86.3	131.6	170.4	178.3	0	0	0	0	108.1	Y197 Y207	Y197-V205 PolarHBondContact OH-O 2.7Å; V205-Y207 PolarHBondContact O-N 3.23Å; V205-Y207 VanDerWaalsContact O-N 3.16Å
206	C	98.4	Very high	97.9	Very high	61 Å²	61	69.1 Å²	69.1	41%	0.412	39%	0.393	S	S	.	.			trans	-56.3	119.1	176.4	-179.3	0	0	0	0	112	C164	C164-C206 HydrophobicContact CB-CB 3.92Å; C164-C206 WeakPolarHBondContact CB-SG 3.32Å; C164-C206 WeakPolarHBondContact SG-CA 3.42Å; C164-C206 WeakPolarHBondContact SG-CB 3.34Å; C164-C206 CovalentContact SG-SG 2.04Å; C164-C206 PolarHBondContact SG-SG 3.31Å
207	Y	96.4	Very high	97.9	Very high	172 Å²	172	66.7 Å²	66.7	68%	0.675	38%	0.38	S	S	*	.			trans	-116.7	37.1	179	-164.4	-102.5	0	0	0	112.5	Y197 V205 E209	Y197-Y207 PolarHBondContact OH-N 2.89Å; Y197-Y207 VanDerWaalsContact OH-N 3.09Å; V205-Y207 PolarHBondContact O-N 3.23Å; V205-Y207 VanDerWaalsContact O-N 3.16Å; Y207-E209 PolarHBondContact O-N 3.4Å
208	Y	98.4	Very high	97.9	Very high	42 Å²	42	72.3 Å²	72.3	17%	0.165	41%	0.405	C	S	.	.			trans	-66.2	126	179.9	174.1	-120.8	0	0	0	112	N188 K189 M192 P210 A213	N188-Y208 WeakPolarHBondContact ND2-CD1 3.4Å; N188-Y208 WeakPolarHBondContact ND2-CE1 3.23Å; N188-Y208 WeakPolarHBondContact ND2-CE2 3.38Å; N188-Y208 WeakPolarHBondContact O-CE1 3.18Å; N188-Y208 PolarHBondContact O-OH 2.69Å; N188-Y208 WeakPolarHBondContact OD1-CD1 3.43Å; N188-Y208 WeakPolarHBondContact OD1-CE1 3.47Å; K189-Y208 PolarHBondContact O-OH 3.36Å; M192-Y208 HydrophobicContact CG-CD2 4.05Å; M192-Y208 HydrophobicContact CG-CE2 4.27Å; M192-Y208 HydrophobicContact SD-CD2 4.01Å; Y208-P210 HydrophobicContact CD1-CG 4.33Å; Y208-P210 HydrophobicContact CE1-CB 4.32Å; Y208-P210 HydrophobicContact CE1-CG 3.79Å; Y208-A213 HydrophobicContact CE2-CB 4.37Å
209	E	98.2	Very high	97.8	Very high	80 Å²	80	72.2 Å²	72.2	37%	0.374	40%	0.398	S	S	.	.			trans	-116.1	108.6	174.9	174.4	51.2	-116.3	0	0	109.7	M192 Y207 S211 M212	M192-E209 HydrophobicContact CE-CB 4.29Å; M192-E209 HydrophobicContact SD-CB 4.27Å; M192-E209 PolarHBondContact SD-N 2.95Å; M192-E209 VanDerWaalsContact SD-N 3.4Å; Y207-E209 PolarHBondContact O-N 3.4Å; E209-S211 VanDerWaalsContact CD-OG 3.27Å; E209-S211 VanDerWaalsContact CG-OG 3.31Å; E209-S211 WeakPolarHBondContact CG-OG 3.34Å; E209-S211 PolarHBondContact O-N 2.72Å; E209-S211 VanDerWaalsContact O-N 3.14Å; E209-S211 WeakPolarHBondContact OE1-CB 3.36Å; E209-S211 PolarHBondContact OE1-N 2.87Å; E209-S211 VanDerWaalsContact OE1-N 3.15Å; E209-S211 PolarHBondContact OE1-OG 2.89Å; E209-M212 HydrophobicContact CB-CB 4.33Å; E209-M212 HydrophobicContact CB-CG 4.21Å; E209-M212 HydrophobicContact CB-SD 4.21Å; E209-M212 HydrophobicContact CG-CB 4.25Å; E209-M212 HydrophobicContact CG-CG 3.73Å; E209-M212 HydrophobicContact CG-SD 4.02Å; E209-M212 PolarHBondContact O-N 3.4Å
210	P	98	Very high	97.7	Very high	83 Å²	83	70.8 Å²	70.8	54%	0.539	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-56.4	-32.5	-176.1	-27	34	0	0	0	114.4	Y208 M212 A213	Y208-P210 HydrophobicContact CD1-CG 4.33Å; Y208-P210 HydrophobicContact CE1-CB 4.32Å; Y208-P210 HydrophobicContact CE1-CG 3.79Å; P210-M212 PolarHBondContact O-N 2.75Å; P210-A213 WeakPolarHBondContact O-CB 3.36Å; P210-A213 PolarHBondContact O-N 3.47Å
211	S	97.9	Very high	97.6	Very high	102 Å²	102	70.6 Å²	70.6	71%	0.713	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-69.7	-13.7	178.3	62.3	0	0	0	0	113.8	E209	E209-S211 VanDerWaalsContact CD-OG 3.27Å; E209-S211 VanDerWaalsContact CG-OG 3.31Å; E209-S211 WeakPolarHBondContact CG-OG 3.34Å; E209-S211 PolarHBondContact O-N 2.72Å; E209-S211 VanDerWaalsContact O-N 3.14Å; E209-S211 WeakPolarHBondContact OE1-CB 3.36Å; E209-S211 PolarHBondContact OE1-N 2.87Å; E209-S211 VanDerWaalsContact OE1-N 3.15Å; E209-S211 PolarHBondContact OE1-OG 2.89Å
212	M	97.9	Very high	97.5	Very high	74 Å²	74	71.3 Å²	71.3	37%	0.365	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-105.5	6.2	178.6	-60.8	-175.7	82	0	0	113.2	M192 D196 E209 P210 A214	M192-M212 HydrophobicContact CE-CB 3.61Å; M192-M212 HydrophobicContact CE-CE 4.35Å; M192-M212 HydrophobicContact CE-CG 4.28Å; M192-M212 HydrophobicContact CE-SD 3.77Å; M192-M212 HydrophobicContact CG-CB 4.22Å; M192-M212 HydrophobicContact SD-CB 4.38Å; D196-M212 HydrophobicContact CB-CE 3.48Å; D196-M212 VanDerWaalsContact CB-CE 3.48Å; D196-M212 VanDerWaalsContact OD1-CE 3.31Å; D196-M212 WeakPolarHBondContact OD1-CE 3.35Å; E209-M212 HydrophobicContact CB-CB 4.33Å; E209-M212 HydrophobicContact CB-CG 4.21Å; E209-M212 HydrophobicContact CB-SD 4.21Å; E209-M212 HydrophobicContact CG-CB 4.25Å; E209-M212 HydrophobicContact CG-CG 3.73Å; E209-M212 HydrophobicContact CG-SD 4.02Å; E209-M212 PolarHBondContact O-N 3.4Å; P210-M212 PolarHBondContact O-N 2.75Å; M212-A214 PolarHBondContact O-N 3.04Å
213	A	98.1	Very high	97.4	Very high	19 Å²	19	66.9 Å²	66.9	16%	0.157	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.2	174.7	0	0	0	0	0	111.3	Y208 P210 F216	Y208-A213 HydrophobicContact CE2-CB 4.37Å; P210-A213 WeakPolarHBondContact O-CB 3.36Å; P210-A213 PolarHBondContact O-N 3.47Å; A213-F216 HydrophobicContact CB-CE1 3.97Å; A213-F216 HydrophobicContact CB-CZ 3.97Å
214	A	97.3	Very high	97.3	Very high	40 Å²	40	64.7 Å²	64.7	33%	0.331	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-24.5	-173.2	0	0	0	0	0	114.2	V154 L191 T193 M212	V154-A214 HydrophobicContact CG1-CB 4.4Å; L191-A214 PolarHBondContact O-N 2.54Å; T193-A214 HydrophobicContact CG2-CB 3.36Å; M212-A214 PolarHBondContact O-N 3.04Å
215	A	97.6	Very high	97.2	Very high	4 Å²	4	63.4 Å²	63.4	3%	0.033	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.6	175.7	0	0	0	0	0	111	L142 L156 G190 L191	L142-A215 HydrophobicContact CD2-CB 3.98Å; L142-A215 HydrophobicContact CG-CB 4.13Å; L156-A215 HydrophobicContact CD1-CB 3.67Å; L156-A215 HydrophobicContact CD2-CB 3.63Å; L156-A215 HydrophobicContact CG-CB 4.32Å; G190-A215 CarbonylContact C-O 3.59Å; G190-A215 WeakPolarHBondContact CA-O 3.39Å; L191-A215 PolarHBondContact N-O 3.13Å; L191-A215 PolarHBondContact O-N 3.19Å
216	F	98.4	Very high	97.1	Very high	109 Å²	109	62.6 Å²	62.6	48%	0.478	32%	0.319	S	S	.	.			trans	-135.4	148.2	-172.5	-54.7	-90.9	0	0	0	109.8	K189 A213 V325	K189-F216 WeakPolarHBondContact O-CD1 3.35Å; K189-F216 WeakPolarHBondContact O-CE1 3.49Å; A213-F216 HydrophobicContact CB-CE1 3.97Å; A213-F216 HydrophobicContact CB-CZ 3.97Å; F216-V325 WeakPolarHBondContact O-CG1 2.93Å
217	V	98.6	Very high	96.9	Very high	11 Å²	11	62.1 Å²	62.1	7%	0.067	31%	0.312	C	S	.	.			trans	-109.7	129.1	172.4	174.9	0	0	0	0	108	L142 F182 I185 M186 E219 V220 P323	L142-V217 HydrophobicContact CD1-CG2 3.9Å; L142-V217 HydrophobicContact CD2-CG2 4.06Å; F182-V217 HydrophobicContact CB-CG1 4.45Å; F182-V217 HydrophobicContact CD1-CG2 4.39Å; I185-V217 HydrophobicContact CB-CB 4.43Å; I185-V217 HydrophobicContact CB-CG2 3.93Å; I185-V217 HydrophobicContact CG2-CB 4.19Å; I185-V217 HydrophobicContact CG2-CG2 3.68Å; M186-V217 HydrophobicContact CB-CB 3.99Å; M186-V217 HydrophobicContact CB-CG1 3.98Å; M186-V217 WeakPolarHBondContact CG-O 3.3Å; V217-E219 WeakPolarHBondContact CG1-O 3.28Å; V217-V220 HydrophobicContact CG1-CG2 4.15Å; V217-P323 HydrophobicContact CB-CB 4.5Å; V217-P323 HydrophobicContact CG1-CB 3.95Å; V217-P323 HydrophobicContact CG2-CB 3.83Å
218	K	98.1	Very high	97	Very high	137 Å²	137	54.7 Å²	54.7	60%	0.596	28%	0.283	S	S	*	.	S	Bend	trans	-91.8	-42.2	175.4	-172.6	-171.8	172.3	-175.9	0	111.7	M186 V324	M186-K218 VanDerWaalsContact SD-O 3.33Å; K218-V324 WeakPolarHBondContact CB-O 3.22Å; K218-V324 PolarHBondContact N-O 3.03Å
219	E	97.2	Very high	96.9	Very high	69 Å²	69	58 Å²	58	32%	0.322	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.9	-178.9	-63.3	172.1	-158.6	0	0	110.3	V217 R221 V324	V217-E219 WeakPolarHBondContact CG1-O 3.28Å; E219-R221 IonicContact OE2-CZ 3.35Å; E219-R221 IonicContact OE2-NE 3.45Å; E219-R221 PolarHBondContact OE2-NE 2.79Å; E219-R221 IonicContact OE2-NH2 2.66Å; E219-R221 PolarHBondContact OE2-NH2 3.25Å; E219-V324 HydrophobicContact CB-CB 4.14Å; E219-V324 HydrophobicContact CB-CG2 4.28Å; E219-V324 PolarHBondContact N-O 2.99Å; E219-V324 PolarHBondContact O-N 3.42Å
220	V	96.9	Very high	96.8	Very high	14 Å²	14	54.1 Å²	54.1	9%	0.085	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.5	172.5	-171.5	0	0	0	0	109.7	S100 F182 E183 V217	S100-V220 PolarHBondContact OG-O 2.8Å; F182-V220 HydrophobicContact CB-CB 4.45Å; F182-V220 HydrophobicContact CB-CG1 4.02Å; F182-V220 HydrophobicContact CB-CG2 3.63Å; F182-V220 HydrophobicContact CD2-CG1 4.27Å; E183-V220 HydrophobicContact CG-CG2 3.97Å; E183-V220 WeakPolarHBondContact OE1-CB 3.45Å; E183-V220 WeakPolarHBondContact OE1-CG2 3.29Å; V217-V220 HydrophobicContact CG1-CG2 4.15Å
221	R	96.3	Very high	96.8	Very high	82 Å²	82	50.2 Å²	50.2	31%	0.309	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.2	176.1	-63.8	-62.3	179.3	169.1	-3.6	109.4	S100 E219 S321 F322 V324	S100-R221 PolarHBondContact O-NH1 2.8Å; E219-R221 IonicContact OE2-CZ 3.35Å; E219-R221 IonicContact OE2-NE 3.45Å; E219-R221 PolarHBondContact OE2-NE 2.79Å; E219-R221 IonicContact OE2-NH2 2.66Å; E219-R221 PolarHBondContact OE2-NH2 3.25Å; R221-S321 CarbonylContact O-C 3.37Å; R221-S321 WeakPolarHBondContact O-CA 3.46Å; R221-S321 WeakPolarHBondContact O-CB 3.39Å; R221-F322 HydrophobicContact CB-CD1 4.13Å; R221-F322 HydrophobicContact CB-CD2 4.16Å; R221-F322 HydrophobicContact CB-CE1 3.72Å; R221-F322 HydrophobicContact CB-CE2 3.76Å; R221-F322 HydrophobicContact CB-CG 4.34Å; R221-F322 HydrophobicContact CB-CZ 3.52Å; R221-F322 HydrophobicContact CG-CE2 3.86Å; R221-F322 HydrophobicContact CG-CZ 3.89Å; R221-F322 PolarHBondContact N-O 2.97Å; R221-F322 PolarHBondContact O-N 3.23Å; R221-V324 HydrophobicContact CG-CG2 3.83Å
222	N	95.8	Very high	96.8	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.7	172.5	-63.9	-33.6	0	0	0	108.6	A96 G99 S100 Y101 S179	A96-N222 HydrophobicContact CB-CB 3.96Å; G99-N222 CarbonylContact C-O 3.59Å; G99-N222 WeakPolarHBondContact CA-O 3.47Å; S100-N222 PolarHBondContact N-O 3.1Å; S100-N222 PolarHBondContact OG-N 3.47Å; Y101-N222 WeakPolarHBondContact CB-O 3.2Å; Y101-N222 PolarHBondContact N-O 2.64Å; S179-N222 VanDerWaalsContact CB-OD1 3.29Å; S179-N222 WeakPolarHBondContact CB-OD1 3.49Å
223	I	95.4	Very high	96.8	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-81.4	141.3	170.3	-60.8	172.3	0	0	0	107.3	Y101 A225 D227 M231 A234 V241 S320 F322	Y101-I223 HydrophobicContact CD1-CG1 4.08Å; Y101-I223 HydrophobicContact CG-CG1 4.26Å; I223-A225 PolarHBondContact O-N 2.79Å; I223-D227 HydrophobicContact CG2-CB 4.03Å; I223-D227 WeakPolarHBondContact CG2-O 3.49Å; I223-M231 HydrophobicContact CD1-CB 4.34Å; I223-M231 HydrophobicContact CD1-CG 3.81Å; I223-M231 HydrophobicContact CG2-CG 4.34Å; I223-A234 HydrophobicContact CD1-CB 4.06Å; I223-V241 HydrophobicContact CD1-CG1 3.98Å; I223-V241 HydrophobicContact CD1-CG2 4.46Å; I223-S320 WeakPolarHBondContact CB-OG 3.31Å; I223-S320 PolarHBondContact N-O 3Å; I223-F322 HydrophobicContact CD1-CD1 4.46Å; I223-F322 HydrophobicContact CD1-CE1 4.48Å; I223-F322 HydrophobicContact CG1-CE1 4.44Å
224	T	94.3	Very high	96.8	Very high	44 Å²	44	41.1 Å²	41.1	27%	0.27	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-60.7	136.9	-179.3	-62.1	0	0	0	0	109.7	G99 Y226 D227	G99-T224 PolarHBondContact N-OG1 2.96Å; T224-Y226 PolarHBondContact O-N 2.95Å; T224-D227 WeakPolarHBondContact O-CB 3.43Å; T224-D227 PolarHBondContact O-N 3.21Å
225	A	94.1	Very high	96.9	Very high	16 Å²	16	39.2 Å²	39.2	13%	0.132	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	133.5	177.9	0	0	0	0	0	111.5	A96 I223 D227 A318	A96-A225 WeakPolarHBondContact O-CB 3.36Å; A96-A225 PolarHBondContact O-N 2.82Å; I223-A225 PolarHBondContact O-N 2.79Å; A225-D227 PolarHBondContact O-N 2.04Å; A225-A318 WeakPolarHBondContact CB-O 3.21Å
226	Y	95.1	Very high	96.9	Very high	115 Å²	115	39.6 Å²	39.6	45%	0.451	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	4.3	-177.1	-43.7	-58.8	0	0	0	115.8	T224 E228 N266 N312 A317 A318	T224-Y226 PolarHBondContact O-N 2.95Å; Y226-E228 PolarHBondContact O-N 2.77Å; Y226-N266 WeakPolarHBondContact CE1-O 3.39Å; Y226-N312 VanDerWaalsContact CD1-ND2 3.31Å; Y226-N312 WeakPolarHBondContact CD1-ND2 3.1Å; Y226-A317 WeakPolarHBondContact CA-O 3.46Å; Y226-A317 PolarHBondContact N-O 3.4Å; Y226-A318 HydrophobicContact CE1-CB 4.11Å
227	D	95.4	Very high	96.8	Very high	50 Å²	50	37.5 Å²	37.5	27%	0.267	18%	0.184	S	C	.	.			trans	-80.9	69.6	173.2	-173.6	14.6	0	0	0	111.3	I223 T224 A225 M229 G230 M231	I223-D227 HydrophobicContact CG2-CB 4.03Å; I223-D227 WeakPolarHBondContact CG2-O 3.49Å; T224-D227 WeakPolarHBondContact O-CB 3.43Å; T224-D227 PolarHBondContact O-N 3.21Å; A225-D227 PolarHBondContact O-N 2.04Å; D227-M229 PolarHBondContact O-N 3.29Å; D227-G230 VanDerWaalsContact CG-N 3.34Å; D227-G230 WeakPolarHBondContact O-CA 3.38Å; D227-G230 PolarHBondContact O-N 3.32Å; D227-G230 VanDerWaalsContact O-N 3.07Å; D227-G230 PolarHBondContact OD1-N 3.17Å; D227-G230 WeakPolarHBondContact OD2-CA 3.48Å; D227-M231 PolarHBondContact O-N 3.01Å
228	E	97.3	Very high	96.7	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.075	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-29.8	177.5	-166.6	175	176.1	0	0	111.6	Y226 M231 V232 W289 R309 G310 K311 N312 L316 A317	Y226-E228 PolarHBondContact O-N 2.77Å; E228-M231 VanDerWaalsContact O-CB 3.29Å; E228-M231 WeakPolarHBondContact O-CB 3.4Å; E228-M231 PolarHBondContact O-N 2.89Å; E228-M231 VanDerWaalsContact O-N 3.13Å; E228-V232 WeakPolarHBondContact O-CG2 3.49Å; E228-V232 PolarHBondContact O-N 2.9Å; E228-W289 HydrophobicContact CG-CZ2 4.03Å; E228-W289 PolarHBondContact OE1-NE1 3.27Å; E228-R309 WeakPolarHBondContact OE1-CA 3.4Å; E228-R309 WeakPolarHBondContact OE1-CG 3.06Å; E228-G310 PolarHBondContact OE1-N 2.97Å; E228-G310 VanDerWaalsContact OE2-CA 3.28Å; E228-G310 WeakPolarHBondContact OE2-CA 3.41Å; E228-G310 PolarHBondContact OE2-N 3.32Å; E228-G310 VanDerWaalsContact OE2-N 3.17Å; E228-K311 PolarHBondContact OE2-N 2.99Å; E228-K311 VanDerWaalsContact OE2-N 3.09Å; E228-N312 PolarHBondContact OE2-N 2.95Å; E228-L316 HydrophobicContact CG-CD1 3.99Å; E228-A317 HydrophobicContact CB-CB 3.76Å; E228-A317 HydrophobicContact CG-CB 4.27Å
229	M	96.1	Very high	96.7	Very high	111 Å²	111	37.7 Å²	37.7	55%	0.547	18%	0.181	S	C	.	.	H	α-helix	trans	-69.3	-34.1	174	-75.5	-55	-52.5	0	0	112.3	D227 M231 V232 D233	D227-M229 PolarHBondContact O-N 3.29Å; M229-M231 PolarHBondContact O-N 2.71Å; M229-V232 HydrophobicContact CE-CB 4.2Å; M229-V232 HydrophobicContact CE-CG1 4.49Å; M229-V232 HydrophobicContact CE-CG2 4.41Å; M229-V232 PolarHBondContact O-N 3.36Å; M229-V232 VanDerWaalsContact O-N 3.09Å; M229-V232 HydrophobicContact SD-CG2 4.13Å; M229-D233 PolarHBondContact O-N 2.64Å
230	G	96.9	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-36	167.4	0	0	0	0	0	112.5	D227 A234	D227-G230 VanDerWaalsContact CG-N 3.34Å; D227-G230 WeakPolarHBondContact O-CA 3.38Å; D227-G230 PolarHBondContact O-N 3.32Å; D227-G230 VanDerWaalsContact O-N 3.07Å; D227-G230 PolarHBondContact OD1-N 3.17Å; D227-G230 WeakPolarHBondContact OD2-CA 3.48Å; G230-A234 WeakPolarHBondContact O-CB 3.39Å; G230-A234 PolarHBondContact O-N 3.18Å
231	M	98.1	Very high	96.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.3	-41.5	171.2	-60	171.3	60.7	0	0	111.7	I223 D227 E228 M229 A234 V235 F243 W289 L316 A317 S320	I223-M231 HydrophobicContact CD1-CB 4.34Å; I223-M231 HydrophobicContact CD1-CG 3.81Å; I223-M231 HydrophobicContact CG2-CG 4.34Å; D227-M231 PolarHBondContact O-N 3.01Å; E228-M231 VanDerWaalsContact O-CB 3.29Å; E228-M231 WeakPolarHBondContact O-CB 3.4Å; E228-M231 PolarHBondContact O-N 2.89Å; E228-M231 VanDerWaalsContact O-N 3.13Å; M229-M231 PolarHBondContact O-N 2.71Å; M231-A234 PolarHBondContact O-N 3.02Å; M231-V235 WeakPolarHBondContact O-CB 3.46Å; M231-V235 WeakPolarHBondContact O-CG2 3.42Å; M231-V235 PolarHBondContact O-N 2.91Å; M231-F243 HydrophobicContact CE-CB 3.9Å; M231-F243 HydrophobicContact CE-CD1 4.05Å; M231-F243 HydrophobicContact CE-CG 3.97Å; M231-W289 HydrophobicContact CB-CH2 3.81Å; M231-W289 HydrophobicContact CB-CZ2 3.93Å; M231-L316 HydrophobicContact CE-CD1 4.08Å; M231-L316 HydrophobicContact SD-CD1 4.2Å; M231-A317 HydrophobicContact SD-CB 3.88Å; M231-S320 VanDerWaalsContact CG-OG 3.25Å; M231-S320 WeakPolarHBondContact CG-OG 3.33Å; M231-S320 PolarHBondContact SD-OG 3.18Å
232	V	98.3	Very high	97	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.03	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-47.6	178.1	-175.5	0	0	0	0	109.9	H108 E228 M229 A234 V235 A236 Y280 W289	H108-V232 HydrophobicContact CB-CG1 4.29Å; H108-V232 VanDerWaalsContact CD2-CG1 3.49Å; H108-V232 WeakPolarHBondContact CD2-CG1 3.31Å; E228-V232 WeakPolarHBondContact O-CG2 3.49Å; E228-V232 PolarHBondContact O-N 2.9Å; M229-V232 HydrophobicContact CE-CB 4.2Å; M229-V232 HydrophobicContact CE-CG1 4.49Å; M229-V232 HydrophobicContact CE-CG2 4.41Å; M229-V232 PolarHBondContact O-N 3.36Å; M229-V232 VanDerWaalsContact O-N 3.09Å; M229-V232 HydrophobicContact SD-CG2 4.13Å; V232-A234 PolarHBondContact O-N 3.01Å; V232-V235 PolarHBondContact O-N 3.18Å; V232-A236 WeakPolarHBondContact O-CB 3.32Å; V232-A236 PolarHBondContact O-N 2.53Å; V232-Y280 HydrophobicContact CG1-CD1 4.26Å; V232-Y280 HydrophobicContact CG1-CE1 3.64Å; V232-Y280 HydrophobicContact CG1-CE2 4.24Å; V232-W289 HydrophobicContact CB-CH2 4.21Å; V232-W289 HydrophobicContact CG2-CH2 3.59Å; V232-W289 HydrophobicContact CG2-CZ2 3.72Å
233	D	98.1	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-46.8	178	-177.6	72	0	0	0	111.8	Y101 S103 S104 H108 M229 A236 T237	Y101-D233 HydrophobicContact CE1-CB 4.44Å; Y101-D233 WeakPolarHBondContact CE1-OD2 3.38Å; Y101-D233 VanDerWaalsContact CZ-OD2 3.3Å; Y101-D233 PolarHBondContact OH-OD2 2.94Å; S103-D233 WeakPolarHBondContact CA-OD2 3.24Å; S103-D233 WeakPolarHBondContact OG-CB 3.49Å; S103-D233 VanDerWaalsContact OG-CG 3.3Å; S104-D233 WeakPolarHBondContact CB-OD1 3.35Å; S104-D233 PolarHBondContact N-OD1 3.35Å; S104-D233 PolarHBondContact N-OD2 3.44Å; S104-D233 PolarHBondContact OG-OD1 3.37Å; H108-D233 IonicContact CE1-OD1 3.4Å; H108-D233 PolarHBondContact CE1-OD1 3.34Å; H108-D233 IonicContact ND1-OD1 2.9Å; H108-D233 WeakPolarHBondContact NE2-CA 3.36Å; H108-D233 WeakPolarHBondContact NE2-CB 3.49Å; H108-D233 IonicContact NE2-OD1 3.32Å; M229-D233 PolarHBondContact O-N 2.64Å; D233-A236 PolarHBondContact O-N 2.96Å; D233-T237 WeakPolarHBondContact O-CB 3.48Å; D233-T237 WeakPolarHBondContact O-CG2 3.49Å; D233-T237 PolarHBondContact O-N 3.39Å; D233-T237 PolarHBondContact O-OG1 2.76Å
234	A	98	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-48	178.5	0	0	0	0	0	112	Y101 I223 G230 M231 V232 A236 T237 R238 N239 V241 F322	Y101-A234 HydrophobicContact CE1-CB 4.03Å; I223-A234 HydrophobicContact CD1-CB 4.06Å; G230-A234 WeakPolarHBondContact O-CB 3.39Å; G230-A234 PolarHBondContact O-N 3.18Å; M231-A234 PolarHBondContact O-N 3.02Å; V232-A234 PolarHBondContact O-N 3.01Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 3.35Å; A234-T237 PolarHBondContact O-N 3.24Å; A234-R238 WeakPolarHBondContact O-CA 3.49Å; A234-R238 VanDerWaalsContact O-CB 3.26Å; A234-R238 WeakPolarHBondContact O-CB 3.4Å; A234-R238 PolarHBondContact O-N 3.31Å; A234-N239 PolarHBondContact O-N 2.96Å; A234-V241 HydrophobicContact CB-CG2 3.69Å; A234-F322 HydrophobicContact CB-CD1 4.26Å; A234-F322 HydrophobicContact CB-CE1 3.81Å; A234-F322 HydrophobicContact CB-CZ 4.49Å
235	V	98.6	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-39.8	178.5	174.5	0	0	0	0	111.4	I112 W114 M231 V232 N239 V241 A277 Y280 W289	I112-V235 WeakPolarHBondContact CD1-O 3.27Å; I112-V235 HydrophobicContact CG2-CG1 3.88Å; W114-V235 PolarHBondContact NE1-O 2.98Å; M231-V235 WeakPolarHBondContact O-CB 3.46Å; M231-V235 WeakPolarHBondContact O-CG2 3.42Å; M231-V235 PolarHBondContact O-N 2.91Å; V232-V235 PolarHBondContact O-N 3.18Å; V235-N239 VanDerWaalsContact CA-O 3.31Å; V235-N239 WeakPolarHBondContact CA-O 3.04Å; V235-V241 HydrophobicContact CG2-CB 3.89Å; V235-V241 HydrophobicContact CG2-CG2 3.62Å; V235-A277 HydrophobicContact CG2-CB 4.24Å; V235-Y280 HydrophobicContact CB-CD1 4.29Å; V235-Y280 HydrophobicContact CB-CE1 4.36Å; V235-Y280 HydrophobicContact CG1-CD1 3.93Å; V235-Y280 HydrophobicContact CG1-CE1 4.2Å; V235-W289 HydrophobicContact CB-CZ3 4.17Å; V235-W289 HydrophobicContact CG1-CZ3 4.44Å; V235-W289 HydrophobicContact CG2-CZ3 3.92Å
236	A	98.1	Very high	97.6	Very high	11 Å²	11	25.9 Å²	25.9	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-67.3	-43.5	-179.8	0	0	0	0	0	113.1	H108 P109 V232 D233 A234 Y280	H108-A236 HydrophobicContact CB-CB 4.21Å; P109-A236 HydrophobicContact CG-CB 4.45Å; V232-A236 WeakPolarHBondContact O-CB 3.32Å; V232-A236 PolarHBondContact O-N 2.53Å; D233-A236 PolarHBondContact O-N 2.96Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 3.35Å; A236-Y280 HydrophobicContact CB-CE1 4.18Å; A236-Y280 WeakPolarHBondContact CB-OH 3.45Å
237	T	96.1	Very high	97.8	Very high	65 Å²	65	20.5 Å²	20.5	40%	0.399	10%	0.1	S	C	.	.	H	α-helix	trans	-109.2	-19.4	-164.8	68.8	0	0	0	0	114.3	D233 A234	D233-T237 WeakPolarHBondContact O-CB 3.48Å; D233-T237 WeakPolarHBondContact O-CG2 3.49Å; D233-T237 PolarHBondContact O-N 3.39Å; D233-T237 PolarHBondContact O-OG1 2.76Å; A234-T237 PolarHBondContact O-N 3.24Å
238	R	96.7	Very high	97.9	Very high	139 Å²	139	18.7 Å²	18.7	53%	0.525	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-75	-173.5	-51.1	-58.6	-179.1	170.9	1.2	112.4	W114 A234 F322	W114-R238 WeakPolarHBondContact CH2-O 3.3Å; W114-R238 WeakPolarHBondContact CZ2-O 3.18Å; A234-R238 WeakPolarHBondContact O-CA 3.49Å; A234-R238 VanDerWaalsContact O-CB 3.26Å; A234-R238 WeakPolarHBondContact O-CB 3.4Å; A234-R238 PolarHBondContact O-N 3.31Å; R238-F322 HydrophobicContact CG-CZ 4.46Å
239	N	98.4	Very high	97.9	Very high	13 Å²	13	19.5 Å²	19.5	7%	0.07	10%	0.099	C	C	.	.			trans	-172.1	170.7	-166.5	51	57.5	0	0	0	111.1	V145 I148 A234 V235 F322	V145-N239 HydrophobicContact CG2-CB 3.77Å; V145-N239 WeakPolarHBondContact CG2-ND2 3.46Å; I148-N239 HydrophobicContact CD1-CB 3.71Å; A234-N239 PolarHBondContact O-N 2.96Å; V235-N239 VanDerWaalsContact CA-O 3.31Å; V235-N239 WeakPolarHBondContact CA-O 3.04Å; N239-F322 WeakPolarHBondContact OD1-CB 3.42Å; N239-F322 WeakPolarHBondContact OD1-CD2 3.3Å
240	P	98.8	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.			trans	-53	146.8	166.8	-29.3	38.6	0	0	0	113.2	W114 I121 C141 L276 A277 V278	W114-P240 HydrophobicContact CB-CG 4.03Å; W114-P240 HydrophobicContact CD2-CG 4.41Å; W114-P240 HydrophobicContact CG-CG 3.8Å; I121-P240 HydrophobicContact CD1-CG 3.61Å; C141-P240 PolarHBondContact SG-O 2.92Å; P240-L276 HydrophobicContact CB-CD1 3.79Å; P240-L276 HydrophobicContact CB-CD2 4.18Å; P240-L276 HydrophobicContact CB-CG 3.98Å; P240-A277 CarbonylContact C-O 3.6Å; P240-A277 WeakPolarHBondContact CA-O 3.45Å; P240-A277 WeakPolarHBondContact CB-O 3.1Å; P240-V278 HydrophobicContact CB-CG1 4.38Å
241	V	98.9	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.2	-174.4	170.4	0	0	0	0	111	I223 A234 V235 A277 F322	I223-V241 HydrophobicContact CD1-CG1 3.98Å; I223-V241 HydrophobicContact CD1-CG2 4.46Å; A234-V241 HydrophobicContact CB-CG2 3.69Å; V235-V241 HydrophobicContact CG2-CB 3.89Å; V235-V241 HydrophobicContact CG2-CG2 3.62Å; V241-A277 PolarHBondContact N-O 2.88Å; V241-A277 PolarHBondContact O-N 3.32Å; V241-F322 HydrophobicContact CG2-CD1 4.19Å
242	S	98.8	Very high	98	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.8	170.8	-62.9	0	0	0	0	109.8	S137 C141 V275 S320 S321	S137-S242 PolarHBondContact O-OG 2.97Å; S137-S242 WeakPolarHBondContact OG-CB 3.39Å; S137-S242 PolarHBondContact OG-OG 3.09Å; C141-S242 WeakPolarHBondContact CB-OG 3.49Å; S242-V275 WeakPolarHBondContact CA-O 3.35Å; S242-S320 CarbonylContact O-C 3.41Å; S242-S320 WeakPolarHBondContact O-CA 3.47Å; S242-S320 WeakPolarHBondContact O-CB 3.5Å; S242-S321 WeakPolarHBondContact CB-O 3.39Å; S242-S321 PolarHBondContact N-O 3.15Å; S242-S321 PolarHBondContact O-N 2.84Å
243	F	98.6	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.5	173.1	73	-88.9	0	0	0	111.3	M231 F245 A274 V275 A277 V291 L316 C319	M231-F243 HydrophobicContact CE-CB 3.9Å; M231-F243 HydrophobicContact CE-CD1 4.05Å; M231-F243 HydrophobicContact CE-CG 3.97Å; F243-F245 HydrophobicContact CE2-CB 4.23Å; F243-F245 AromaticContact CE2-CD1 3.88Å; F243-F245 HydrophobicContact CE2-CD1 3.88Å; F243-F245 HydrophobicContact CE2-CG 4.31Å; F243-A274 CarbonylContact O-C 3.03Å; F243-A274 WeakPolarHBondContact O-CA 3.49Å; F243-V275 HydrophobicContact CD1-CG2 4.14Å; F243-V275 HydrophobicContact CD2-CG2 3.98Å; F243-V275 HydrophobicContact CE1-CG2 3.64Å; F243-V275 HydrophobicContact CE2-CG2 3.46Å; F243-V275 VanDerWaalsContact CE2-CG2 3.46Å; F243-V275 HydrophobicContact CG-CG2 4.31Å; F243-V275 HydrophobicContact CZ-CG2 3.29Å; F243-V275 PolarHBondContact N-O 3.23Å; F243-V275 PolarHBondContact O-N 2.85Å; F243-A277 HydrophobicContact CD1-CB 3.92Å; F243-A277 HydrophobicContact CE1-CB 3.76Å; F243-V291 HydrophobicContact CE1-CG1 3.74Å; F243-V291 HydrophobicContact CE1-CG2 3.98Å; F243-V291 HydrophobicContact CZ-CB 4.42Å; F243-V291 HydrophobicContact CZ-CG1 3.69Å; F243-V291 HydrophobicContact CZ-CG2 3.8Å; F243-L316 WeakPolarHBondContact CB-O 3.37Å; F243-L316 HydrophobicContact CD2-CB 3.69Å; F243-L316 WeakPolarHBondContact CD2-O 3.43Å; F243-L316 HydrophobicContact CE2-CB 3.58Å; F243-L316 HydrophobicContact CZ-CB 4.5Å; F243-C319 WeakPolarHBondContact CA-O 3.36Å
244	A	97.9	Very high	98.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.2	172.1	0	0	0	0	0	111.5	V271 H273 A274 L316 C319	A244-V271 HydrophobicContact CB-CB 3.98Å; A244-V271 HydrophobicContact CB-CG2 3.89Å; A244-H273 CarbonylContact C-O 3.58Å; A244-H273 WeakPolarHBondContact CA-O 3.39Å; A244-H273 WeakPolarHBondContact CB-O 3.31Å; A244-A274 HydrophobicContact CB-CB 4.39Å; A244-L316 WeakPolarHBondContact O-CA 3.41Å; A244-C319 PolarHBondContact N-O 3.03Å
245	F	98.2	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	169.3	176.9	75.1	-72	0	0	0	110.4	F243 V247 F251 V271 N272 H273 V275 F305 I307 C314 L316	F243-F245 HydrophobicContact CE2-CB 4.23Å; F243-F245 AromaticContact CE2-CD1 3.88Å; F243-F245 HydrophobicContact CE2-CD1 3.88Å; F243-F245 HydrophobicContact CE2-CG 4.31Å; F245-V247 HydrophobicContact CE1-CG2 4.29Å; F245-V247 HydrophobicContact CE2-CG2 3.71Å; F245-V247 HydrophobicContact CZ-CG2 3.57Å; F245-F251 HydrophobicContact CE2-CD1 4.23Å; F245-F251 HydrophobicContact CE2-CD2 4.21Å; F245-F251 HydrophobicContact CE2-CE1 4.03Å; F245-F251 AromaticContact CE2-CE2 4Å; F245-F251 HydrophobicContact CE2-CE2 4Å; F245-F251 HydrophobicContact CE2-CG 4.3Å; F245-F251 AromaticContact CE2-CZ 3.89Å; F245-F251 HydrophobicContact CE2-CZ 3.89Å; F245-F251 HydrophobicContact CZ-CD1 4.14Å; F245-F251 AromaticContact CZ-CE1 3.55Å; F245-F251 HydrophobicContact CZ-CE1 3.55Å; F245-F251 HydrophobicContact CZ-CE2 4.04Å; F245-F251 AromaticContact CZ-CZ 3.47Å; F245-F251 HydrophobicContact CZ-CZ 3.47Å; F245-F251 VanDerWaalsContact CZ-CZ 3.47Å; F245-V271 WeakPolarHBondContact O-CA 3.38Å; F245-N272 PolarHBondContact O-N 3.27Å; F245-N272 PolarHBondContact O-OD1 2.98Å; F245-H273 HydrophobicContact CE1-CB 4.28Å; F245-H273 AromaticContact CE1-CD2 3.7Å; F245-H273 PolarHBondContact N-O 2.92Å; F245-H273 PolarHBondContact O-N 2.87Å; F245-V275 HydrophobicContact CD1-CG2 3.77Å; F245-V275 HydrophobicContact CE1-CB 4.43Å; F245-V275 HydrophobicContact CE1-CG1 3.87Å; F245-V275 HydrophobicContact CE1-CG2 3.65Å; F245-F305 AromaticContact CE1-CZ 3.92Å; F245-F305 HydrophobicContact CE1-CZ 3.92Å; F245-F305 HydrophobicContact CZ-CE2 4.35Å; F245-F305 AromaticContact CZ-CZ 3.86Å; F245-F305 HydrophobicContact CZ-CZ 3.86Å; F245-I307 HydrophobicContact CD2-CD1 4.4Å; F245-C314 CarbonylContact C-O 3.51Å; F245-C314 VanDerWaalsContact CA-O 3.28Å; F245-C314 WeakPolarHBondContact CA-O 3.2Å; F245-C314 HydrophobicContact CB-CB 4.28Å; F245-C314 WeakPolarHBondContact CB-O 3.28Å; F245-C314 HydrophobicContact CD2-CB 3.95Å; F245-L316 HydrophobicContact CB-CB 4.18Å
246	E	97.9	Very high	98.1	Very high	18 Å²	18	24.4 Å²	24.4	8%	0.084	12%	0.12	C	C	.	.			trans	-86.5	116.9	173.3	-174.9	176	-157.6	0	0	110.9	T248 C264 H265 K270 C314	E246-T248 HydrophobicContact CG-CG2 4.32Å; E246-C264 HydrophobicContact CB-CB 4.4Å; E246-H265 IonicContact OE1-CE1 3.98Å; E246-H265 IonicContact OE1-ND1 3.46Å; E246-H265 PolarHBondContact OE1-ND1 3.34Å; E246-H265 WeakPolarHBondContact OE2-CA 3.45Å; E246-H265 VanDerWaalsContact OE2-CB 3.29Å; E246-H265 WeakPolarHBondContact OE2-CB 3.4Å; E246-H265 IonicContact OE2-CE1 3.98Å; E246-H265 IonicContact OE2-CG 2.91Å; E246-H265 PolarHBondContact OE2-N 2.85Å; E246-H265 IonicContact OE2-ND1 3.34Å; E246-H265 PolarHBondContact OE2-ND1 3.24Å; E246-K270 WeakPolarHBondContact CB-O 3.15Å; E246-K270 WeakPolarHBondContact CG-O 3.4Å; E246-C314 PolarHBondContact N-O 3.26Å; E246-C314 WeakPolarHBondContact O-CB 3.49Å
247	V	98.4	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.128	C	C	.	.			trans	-80.6	131	165.2	170.9	0	0	0	0	109.1	F79 F82 L87 F245 F251 N272 H273 W295	F79-V247 HydrophobicContact CE2-CG1 4.15Å; F79-V247 WeakPolarHBondContact CZ-O 3.47Å; F82-V247 HydrophobicContact CE1-CG1 4.19Å; L87-V247 HydrophobicContact CD1-CB 4.08Å; L87-V247 HydrophobicContact CD1-CG1 4.07Å; L87-V247 HydrophobicContact CD2-CB 4.01Å; L87-V247 HydrophobicContact CD2-CG1 4.16Å; L87-V247 HydrophobicContact CD2-CG2 4.18Å; F245-V247 HydrophobicContact CE1-CG2 4.29Å; F245-V247 HydrophobicContact CE2-CG2 3.71Å; F245-V247 HydrophobicContact CZ-CG2 3.57Å; V247-F251 HydrophobicContact CB-CD1 4.35Å; V247-F251 HydrophobicContact CG1-CB 4.27Å; V247-F251 HydrophobicContact CG1-CD1 3.9Å; V247-F251 HydrophobicContact CG1-CG 4.5Å; V247-F251 HydrophobicContact CG2-CD1 3.78Å; V247-F251 HydrophobicContact CG2-CE1 4.09Å; V247-N272 WeakPolarHBondContact CB-OD1 3.3Å; V247-N272 PolarHBondContact N-OD1 3.05Å; V247-N272 PolarHBondContact O-ND2 2.73Å; V247-N272 VanDerWaalsContact O-ND2 3.07Å; V247-H273 HydrophobicContact CB-CB 4.43Å; V247-H273 HydrophobicContact CG2-CB 3.46Å; V247-H273 VanDerWaalsContact CG2-CB 3.46Å; V247-W295 HydrophobicContact CG1-CH2 4.09Å; V247-W295 HydrophobicContact CG2-CH2 4.04Å; V247-W295 HydrophobicContact CG2-CZ2 4.42Å
248	T	97.6	Very high	98.2	Very high	12 Å²	12	22.2 Å²	22.2	7%	0.074	11%	0.11	C	C	.	.			trans	-115.8	176.8	171.7	47.9	0	0	0	0	111.2	F79 E246 D250 F251 M252 Y259 C264	F79-T248 VanDerWaalsContact CE2-C 3.5Å; E246-T248 HydrophobicContact CG-CG2 4.32Å; T248-D250 VanDerWaalsContact C-N 3.31Å; T248-D250 WeakPolarHBondContact CB-OD1 3.48Å; T248-D250 PolarHBondContact O-N 3.29Å; T248-D250 PolarHBondContact OG1-OD1 3.41Å; T248-F251 PolarHBondContact O-N 2.63Å; T248-M252 PolarHBondContact O-N 3.09Å; T248-Y259 PolarHBondContact OG1-OH 2.97Å; T248-Y259 VanDerWaalsContact OG1-OH 3.11Å; T248-C264 HydrophobicContact CG2-CB 3.93Å
249	S	97	Very high	98.3	Very high	34 Å²	34	15.6 Å²	15.6	24%	0.238	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.5	-171.2	68.8	0	0	0	0	114.9	M252	S249-M252 WeakPolarHBondContact O-CB 3.09Å
250	D	97.7	Very high	98.3	Very high	22 Å²	22	16.9 Å²	16.9	12%	0.118	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.1	176.2	61.9	-28.7	0	0	0	112	M69 T248 M252 H253 Y254 Y259	M69-D250 HydrophobicContact CE-CB 4.31Å; M69-D250 HydrophobicContact SD-CB 4.44Å; T248-D250 VanDerWaalsContact C-N 3.31Å; T248-D250 WeakPolarHBondContact CB-OD1 3.48Å; T248-D250 PolarHBondContact O-N 3.29Å; T248-D250 PolarHBondContact OG1-OD1 3.41Å; D250-M252 VanDerWaalsContact C-N 3.27Å; D250-M252 PolarHBondContact O-N 2.67Å; D250-H253 CarbonylContact O-C 3.55Å; D250-H253 PolarHBondContact O-N 3.26Å; D250-Y254 PolarHBondContact O-N 3.28Å; D250-Y259 VanDerWaalsContact CG-OH 3.29Å; D250-Y259 PolarHBondContact OD1-OH 2.85Å; D250-Y259 VanDerWaalsContact OD2-CE2 3.27Å; D250-Y259 WeakPolarHBondContact OD2-CE2 3.28Å; D250-Y259 PolarHBondContact OD2-OH 2.83Å
251	F	98.8	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-62.1	-34.4	178.9	-171.7	-93.3	0	0	0	112.3	F245 V247 T248 H253 Y254 Y259 W295 W299 F305	F245-F251 HydrophobicContact CE2-CD1 4.23Å; F245-F251 HydrophobicContact CE2-CD2 4.21Å; F245-F251 HydrophobicContact CE2-CE1 4.03Å; F245-F251 AromaticContact CE2-CE2 4Å; F245-F251 HydrophobicContact CE2-CE2 4Å; F245-F251 HydrophobicContact CE2-CG 4.3Å; F245-F251 AromaticContact CE2-CZ 3.89Å; F245-F251 HydrophobicContact CE2-CZ 3.89Å; F245-F251 HydrophobicContact CZ-CD1 4.14Å; F245-F251 AromaticContact CZ-CE1 3.55Å; F245-F251 HydrophobicContact CZ-CE1 3.55Å; F245-F251 HydrophobicContact CZ-CE2 4.04Å; F245-F251 AromaticContact CZ-CZ 3.47Å; F245-F251 HydrophobicContact CZ-CZ 3.47Å; F245-F251 VanDerWaalsContact CZ-CZ 3.47Å; V247-F251 HydrophobicContact CB-CD1 4.35Å; V247-F251 HydrophobicContact CG1-CB 4.27Å; V247-F251 HydrophobicContact CG1-CD1 3.9Å; V247-F251 HydrophobicContact CG1-CG 4.5Å; V247-F251 HydrophobicContact CG2-CD1 3.78Å; V247-F251 HydrophobicContact CG2-CE1 4.09Å; T248-F251 PolarHBondContact O-N 2.63Å; F251-H253 PolarHBondContact O-N 2.91Å; F251-Y254 WeakPolarHBondContact O-CB 3.48Å; F251-Y254 PolarHBondContact O-N 3.09Å; F251-Y259 HydrophobicContact CB-CE1 4.34Å; F251-Y259 HydrophobicContact CB-CE2 3.96Å; F251-Y259 AromaticContact CD2-CD1 3.62Å; F251-Y259 HydrophobicContact CD2-CD1 3.62Å; F251-Y259 AromaticContact CD2-CD2 3.85Å; F251-Y259 HydrophobicContact CD2-CD2 3.85Å; F251-Y259 AromaticContact CD2-CE1 3.58Å; F251-Y259 HydrophobicContact CD2-CE1 3.58Å; F251-Y259 AromaticContact CD2-CE2 3.82Å; F251-Y259 HydrophobicContact CD2-CE2 3.82Å; F251-Y259 AromaticContact CD2-CG 3.76Å; F251-Y259 HydrophobicContact CD2-CG 3.76Å; F251-Y259 AromaticContact CD2-CZ 3.7Å; F251-Y259 HydrophobicContact CE2-CD1 4.03Å; F251-Y259 HydrophobicContact CE2-CE1 4.36Å; F251-Y259 HydrophobicContact CE2-CG 4.15Å; F251-Y259 HydrophobicContact CG-CE1 4.36Å; F251-Y259 HydrophobicContact CG-CE2 4.41Å; F251-W295 AromaticContact CD1-CH2 3.78Å; F251-W295 HydrophobicContact CD1-CH2 3.78Å; F251-W295 AromaticContact CD1-CZ3 3.88Å; F251-W295 HydrophobicContact CD1-CZ3 3.88Å; F251-W295 AromaticContact CE1-CH2 3.68Å; F251-W295 HydrophobicContact CE1-CH2 3.68Å; F251-W295 AromaticContact CE1-CZ3 3.69Å; F251-W295 HydrophobicContact CE1-CZ3 3.69Å; F251-W299 HydrophobicContact CD1-CZ2 4.15Å; F251-W299 AromaticContact CE1-CH2 3.65Å; F251-W299 HydrophobicContact CE1-CH2 3.65Å; F251-W299 AromaticContact CE1-CZ2 3.66Å; F251-W299 HydrophobicContact CE1-CZ2 3.66Å; F251-W299 HydrophobicContact CE2-CH2 4.22Å; F251-W299 AromaticContact CZ-CH2 3.48Å; F251-W299 HydrophobicContact CZ-CH2 3.48Å; F251-W299 VanDerWaalsContact CZ-CH2 3.48Å; F251-W299 AromaticContact CZ-CZ2 3.92Å; F251-W299 HydrophobicContact CZ-CZ2 3.92Å; F251-W299 WeakPolarHBondContact O-CZ2 3.24Å; F251-F305 AromaticContact CE2-CD2 3.61Å; F251-F305 HydrophobicContact CE2-CD2 3.61Å; F251-F305 AromaticContact CE2-CE2 3.69Å; F251-F305 HydrophobicContact CE2-CE2 3.69Å; F251-F305 HydrophobicContact CE2-CG 4.04Å; F251-F305 HydrophobicContact CE2-CZ 4.18Å; F251-F305 AromaticContact CZ-CD1 3.89Å; F251-F305 HydrophobicContact CZ-CD1 3.89Å; F251-F305 AromaticContact CZ-CD2 3.75Å; F251-F305 HydrophobicContact CZ-CD2 3.75Å; F251-F305 AromaticContact CZ-CE1 3.79Å; F251-F305 HydrophobicContact CZ-CE1 3.79Å; F251-F305 AromaticContact CZ-CE2 3.66Å; F251-F305 HydrophobicContact CZ-CE2 3.66Å; F251-F305 AromaticContact CZ-CG 3.84Å; F251-F305 HydrophobicContact CZ-CG 3.84Å; F251-F305 AromaticContact CZ-CZ 3.66Å; F251-F305 HydrophobicContact CZ-CZ 3.66Å
252	M	98.3	Very high	98	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-50.6	-32.2	173.4	-176.6	174	77.5	0	0	112.1	N72 F74 F79 F82 T248 S249 D250 W299	N72-M252 PolarHBondContact ND2-O 3.38Å; F74-M252 HydrophobicContact CB-CG 3.89Å; F74-M252 HydrophobicContact CB-SD 4.15Å; F74-M252 HydrophobicContact CD2-CG 4.3Å; F74-M252 HydrophobicContact CG-CG 4.36Å; F79-M252 HydrophobicContact CD2-SD 4.27Å; F82-M252 HydrophobicContact CB-SD 3.41Å; F82-M252 WeakPolarHBondContact CB-SD 3.35Å; F82-M252 HydrophobicContact CD1-CG 4.21Å; F82-M252 HydrophobicContact CD1-SD 3.86Å; F82-M252 HydrophobicContact CD2-CG 3.85Å; F82-M252 HydrophobicContact CD2-SD 3.57Å; F82-M252 VanDerWaalsContact CD2-SD 3.57Å; F82-M252 HydrophobicContact CE1-CG 4.29Å; F82-M252 HydrophobicContact CE2-CG 3.95Å; F82-M252 HydrophobicContact CE2-SD 4.28Å; F82-M252 HydrophobicContact CG-CG 3.99Å; F82-M252 HydrophobicContact CG-SD 3.32Å; F82-M252 WeakPolarHBondContact CG-SD 3.28Å; F82-M252 HydrophobicContact CZ-CG 4.17Å; T248-M252 PolarHBondContact O-N 3.09Å; S249-M252 WeakPolarHBondContact O-CB 3.09Å; D250-M252 VanDerWaalsContact C-N 3.27Å; D250-M252 PolarHBondContact O-N 2.67Å; M252-W299 PolarHBondContact O-NE1 3.17Å
253	H	98.7	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-107.3	14.1	-179.3	-59.8	-51.7	0	0	0	114.2	I57 M69 G70 D250 F251 H255	I57-H253 HydrophobicContact CD1-CB 4.13Å; I57-H253 HydrophobicContact CG1-CB 4.11Å; M69-H253 CarbonylContact C-O 3.53Å; M69-H253 WeakPolarHBondContact CA-O 3.31Å; M69-H253 HydrophobicContact CB-CB 4.18Å; M69-H253 WeakPolarHBondContact CB-O 3.46Å; M69-H253 HydrophobicContact CE-CB 3.6Å; M69-H253 HydrophobicContact CG-CB 4.46Å; G70-H253 PolarHBondContact N-O 3.23Å; D250-H253 CarbonylContact O-C 3.55Å; D250-H253 PolarHBondContact O-N 3.26Å; F251-H253 PolarHBondContact O-N 2.91Å; H253-H255 PolarHBondContact O-N 3.13Å
254	Y	98.8	Very high	97.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	135.5	175.2	170.9	-88.5	0	0	0	111.2	F67 D250 F251 G257 Y259 W299 I301 F305 L306	F67-Y254 HydrophobicContact CB-CD2 4.33Å; F67-Y254 HydrophobicContact CB-CE2 4.09Å; F67-Y254 AromaticContact CD2-CD2 3.89Å; F67-Y254 HydrophobicContact CD2-CD2 3.89Å; F67-Y254 HydrophobicContact CD2-CE2 4.48Å; F67-Y254 HydrophobicContact CG-CD2 4.39Å; D250-Y254 PolarHBondContact O-N 3.28Å; F251-Y254 WeakPolarHBondContact O-CB 3.48Å; F251-Y254 PolarHBondContact O-N 3.09Å; Y254-G257 VanDerWaalsContact CE2-O 3.29Å; Y254-G257 WeakPolarHBondContact CE2-O 3.26Å; Y254-G257 PolarHBondContact OH-N 3.34Å; Y254-G257 PolarHBondContact OH-O 3.45Å; Y254-Y259 HydrophobicContact CD2-CD2 4.24Å; Y254-Y259 HydrophobicContact CD2-CG 4.5Å; Y254-W299 AromaticContact CD1-CH2 3.72Å; Y254-W299 HydrophobicContact CD1-CH2 3.72Å; Y254-W299 HydrophobicContact CD1-CZ2 4.06Å; Y254-W299 HydrophobicContact CD1-CZ3 4.17Å; Y254-W299 HydrophobicContact CG-CH2 4.27Å; Y254-W299 HydrophobicContact CG-CZ2 4.34Å; Y254-I301 HydrophobicContact CE1-CG1 4.29Å; Y254-I301 WeakPolarHBondContact OH-CD1 3.03Å; Y254-F305 HydrophobicContact CD1-CB 3.68Å; Y254-F305 HydrophobicContact CE1-CB 3.25Å; Y254-F305 HydrophobicContact CE2-CB 4.36Å; Y254-F305 HydrophobicContact CG-CB 4.4Å; Y254-L306 PolarHBondContact OH-N 3.02Å; Y254-L306 VanDerWaalsContact OH-N 3.08Å
255	H	98.6	Very high	97.7	Very high	88 Å²	88	35.7 Å²	35.7	41%	0.407	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-56.5	176.1	-174.7	48.9	0	0	0	112.4	T68 H253 G300 I301	T68-H255 PolarHBondContact O-N 2.89Å; H253-H255 PolarHBondContact O-N 3.13Å; H255-G300 CarbonylContact O-C 3.51Å; H255-G300 VanDerWaalsContact O-CA 3.3Å; H255-G300 WeakPolarHBondContact O-CA 3.15Å; H255-I301 WeakPolarHBondContact O-CG1 3.07Å; H255-I301 PolarHBondContact O-N 3.28Å
256	Q	98.3	Very high	97.5	Very high	105 Å²	105	38.9 Å²	38.9	49%	0.491	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	166.4	-180	61.5	174	27.9	0	0	112.3	F67 T68 I301	F67-Q256 CarbonylContact C-O 3.06Å; F67-Q256 VanDerWaalsContact CA-O 3.24Å; F67-Q256 WeakPolarHBondContact CA-O 3.38Å; F67-Q256 WeakPolarHBondContact CB-O 3.19Å; T68-Q256 PolarHBondContact N-O 3.08Å; T68-Q256 PolarHBondContact O-N 3.25Å; T68-Q256 WeakPolarHBondContact OG1-CG 3.41Å; T68-Q256 PolarHBondContact OG1-O 3.08Å; Q256-I301 HydrophobicContact CB-CD1 4.14Å; Q256-I301 HydrophobicContact CB-CG1 3.9Å
257	G	97.8	Very high	97.2	Very high	25 Å²	25	40.6 Å²	40.6	26%	0.258	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	93.9	-174.1	-177.7	0	0	0	0	0	112.5	S66 Y254 Y259 L306	S66-G257 CarbonylContact O-C 3.45Å; S66-G257 WeakPolarHBondContact O-CA 3.16Å; Y254-G257 VanDerWaalsContact CE2-O 3.29Å; Y254-G257 WeakPolarHBondContact CE2-O 3.26Å; Y254-G257 PolarHBondContact OH-N 3.34Å; Y254-G257 PolarHBondContact OH-O 3.45Å; G257-Y259 PolarHBondContact O-N 2.82Å; G257-L306 WeakPolarHBondContact O-CB 3.35Å
258	V	98.4	Very high	96.8	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.2	-178	-177.6	0	0	0	0	109.7	S66 T286 Y288 L306 E308	S66-V258 CarbonylContact C-O 3.58Å; S66-V258 VanDerWaalsContact CB-O 3.32Å; S66-V258 WeakPolarHBondContact CB-O 3.47Å; S66-V258 PolarHBondContact O-N 2.8Å; S66-V258 PolarHBondContact OG-O 3.35Å; V258-T286 HydrophobicContact CG1-CG2 4.05Å; V258-Y288 HydrophobicContact CG2-CD1 3.91Å; V258-Y288 HydrophobicContact CG2-CG 4.2Å; V258-L306 HydrophobicContact CG2-CB 4.34Å; V258-L306 HydrophobicContact CG2-CD1 4.38Å; V258-E308 HydrophobicContact CG1-CB 3.94Å
259	Y	98.6	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134.8	178.7	-179.1	-104.1	0	0	0	111.7	F67 T248 D250 F251 Y254 G257 S261 L306 I307 E308	F67-Y259 HydrophobicContact CD1-CD2 4.12Å; F67-Y259 AromaticContact CD2-CD2 4Å; F67-Y259 HydrophobicContact CD2-CD2 4Å; F67-Y259 AromaticContact CE1-CD2 3.86Å; F67-Y259 HydrophobicContact CE1-CD2 3.86Å; F67-Y259 HydrophobicContact CE1-CE2 4.14Å; F67-Y259 AromaticContact CE2-CD2 3.74Å; F67-Y259 HydrophobicContact CE2-CD2 3.74Å; F67-Y259 HydrophobicContact CE2-CE2 4Å; F67-Y259 HydrophobicContact CG-CD2 4.18Å; F67-Y259 AromaticContact CZ-CD2 3.66Å; F67-Y259 HydrophobicContact CZ-CD2 3.66Å; F67-Y259 AromaticContact CZ-CE2 3.68Å; F67-Y259 HydrophobicContact CZ-CE2 3.68Å; T248-Y259 PolarHBondContact OG1-OH 2.97Å; T248-Y259 VanDerWaalsContact OG1-OH 3.11Å; D250-Y259 VanDerWaalsContact CG-OH 3.29Å; D250-Y259 PolarHBondContact OD1-OH 2.85Å; D250-Y259 VanDerWaalsContact OD2-CE2 3.27Å; D250-Y259 WeakPolarHBondContact OD2-CE2 3.28Å; D250-Y259 PolarHBondContact OD2-OH 2.83Å; F251-Y259 HydrophobicContact CB-CE1 4.34Å; F251-Y259 HydrophobicContact CB-CE2 3.96Å; F251-Y259 AromaticContact CD2-CD1 3.62Å; F251-Y259 HydrophobicContact CD2-CD1 3.62Å; F251-Y259 AromaticContact CD2-CD2 3.85Å; F251-Y259 HydrophobicContact CD2-CD2 3.85Å; F251-Y259 AromaticContact CD2-CE1 3.58Å; F251-Y259 HydrophobicContact CD2-CE1 3.58Å; F251-Y259 AromaticContact CD2-CE2 3.82Å; F251-Y259 HydrophobicContact CD2-CE2 3.82Å; F251-Y259 AromaticContact CD2-CG 3.76Å; F251-Y259 HydrophobicContact CD2-CG 3.76Å; F251-Y259 AromaticContact CD2-CZ 3.7Å; F251-Y259 HydrophobicContact CE2-CD1 4.03Å; F251-Y259 HydrophobicContact CE2-CE1 4.36Å; F251-Y259 HydrophobicContact CE2-CG 4.15Å; F251-Y259 HydrophobicContact CG-CE1 4.36Å; F251-Y259 HydrophobicContact CG-CE2 4.41Å; Y254-Y259 HydrophobicContact CD2-CD2 4.24Å; Y254-Y259 HydrophobicContact CD2-CG 4.5Å; G257-Y259 PolarHBondContact O-N 2.82Å; Y259-S261 VanDerWaalsContact OH-CB 3.28Å; Y259-S261 WeakPolarHBondContact OH-CB 3.41Å; Y259-L306 WeakPolarHBondContact CB-O 3.37Å; Y259-L306 PolarHBondContact N-O 2.97Å; Y259-I307 HydrophobicContact CD1-CD1 3.98Å; Y259-I307 HydrophobicContact CD1-CG1 4.06Å; Y259-E308 PolarHBondContact O-N 3.29Å
260	T	97.6	Very high	96.3	Very high	40 Å²	40	48.3 Å²	48.3	25%	0.245	26%	0.259	C	S	.	.			trans	-145.2	144.5	174.1	60.1	0	0	0	0	108.3	S66 F67 E308 M313	S66-T260 PolarHBondContact OG-OG1 3.33Å; F67-T260 WeakPolarHBondContact CE1-O 3.49Å; T260-E308 HydrophobicContact CG2-CB 3.66Å; T260-E308 HydrophobicContact CG2-CG 4.31Å; T260-E308 VanDerWaalsContact CG2-OE2 3.3Å; T260-E308 WeakPolarHBondContact CG2-OE2 3.42Å; T260-M313 HydrophobicContact CG2-CE 4.15Å
261	S	97.3	Very high	96.2	Very high	16 Å²	16	47.5 Å²	47.5	11%	0.112	26%	0.256	C	S	.	.			trans	-140	146.3	172.7	175.2	0	0	0	0	111.4	Y259 E263 C264 M313	Y259-S261 VanDerWaalsContact OH-CB 3.28Å; Y259-S261 WeakPolarHBondContact OH-CB 3.41Å; S261-E263 PolarHBondContact OG-N 3.4Å; S261-C264 PolarHBondContact OG-N 2.79Å; S261-M313 PolarHBondContact N-SD 3.19Å
262	T	95.1	Very high	96.1	Very high	148 Å²	148	47.8 Å²	47.8	91%	0.908	26%	0.257	S	S	*	.	S	Bend	trans	-99.6	-3.6	169.1	55.7	0	0	0	0	112.1
263	E	95.6	Very high	96.1	Very high	127 Å²	127	47.7 Å²	47.7	59%	0.593	26%	0.257	S	S	*	.	S	Bend	trans	-96.9	-31.8	-178.4	-60.1	-170.2	167	0	0	112.5	S261	S261-E263 PolarHBondContact OG-N 3.4Å
264	C	97.5	Very high	96.1	Very high	13 Å²	13	47.8 Å²	47.8	9%	0.088	26%	0.257	C	S	.	.	S	Bend	trans	-70.2	146.1	175.8	68	0	0	0	0	111.1	E246 T248 S261 C314	E246-C264 HydrophobicContact CB-CB 4.4Å; T248-C264 HydrophobicContact CG2-CB 3.93Å; S261-C264 PolarHBondContact OG-N 2.79Å; C264-C314 HydrophobicContact CB-CB 3.56Å; C264-C314 WeakPolarHBondContact CB-SG 3.33Å; C264-C314 WeakPolarHBondContact SG-CA 3.49Å; C264-C314 WeakPolarHBondContact SG-CB 3.47Å; C264-C314 PolarHBondContact SG-N 2.82Å; C264-C314 VanDerWaalsContact SG-N 3.42Å; C264-C314 CovalentContact SG-SG 2.04Å; C264-C314 PolarHBondContact SG-SG 3.08Å
265	H	96.2	Very high	96.1	Very high	92 Å²	92	47.8 Å²	47.8	43%	0.426	26%	0.258	S	S	.	.			trans	-89	159.6	176.1	-52.5	80.1	0	0	0	110.1	E246 K270 C314 G315	E246-H265 IonicContact OE1-CE1 3.98Å; E246-H265 IonicContact OE1-ND1 3.46Å; E246-H265 PolarHBondContact OE1-ND1 3.34Å; E246-H265 WeakPolarHBondContact OE2-CA 3.45Å; E246-H265 VanDerWaalsContact OE2-CB 3.29Å; E246-H265 WeakPolarHBondContact OE2-CB 3.4Å; E246-H265 IonicContact OE2-CE1 3.98Å; E246-H265 IonicContact OE2-CG 2.91Å; E246-H265 PolarHBondContact OE2-N 2.85Å; E246-H265 IonicContact OE2-ND1 3.34Å; E246-H265 PolarHBondContact OE2-ND1 3.24Å; H265-K270 HydrophobicContact CB-CB 3.84Å; H265-K270 HydrophobicContact CB-CG 3.66Å; H265-C314 CarbonylContact O-C 3.59Å; H265-C314 VanDerWaalsContact O-CA 3.28Å; H265-C314 WeakPolarHBondContact O-CA 3.48Å; H265-G315 PolarHBondContact O-N 3.05Å
266	N	94	Very high	96.1	Very high	67 Å²	67	43.8 Å²	43.8	36%	0.358	24%	0.239	S	C	.	.			trans	-111.5	29.2	-178.1	-66	-10.6	0	0	0	112.6	Y226 N312 C314 G315	Y226-N266 WeakPolarHBondContact CE1-O 3.39Å; N266-N312 PolarHBondContact O-ND2 3.46Å; N266-N312 VanDerWaalsContact O-ND2 3.14Å; N266-N312 PolarHBondContact OD1-O 3.35Å; N266-N312 VanDerWaalsContact OD1-O 3.04Å; N266-C314 WeakPolarHBondContact OD1-CA 3.39Å; N266-C314 PolarHBondContact OD1-N 3.36Å; N266-G315 PolarHBondContact OD1-N 3.09Å
267	T	91.5	Very high	96.2	Very high	54 Å²	54	38.8 Å²	38.8	33%	0.331	22%	0.216	S	C	.	.	S	Bend	trans	-116.8	153.8	-173.3	60.9	0	0	0	0	113	D269 K270	T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 WeakPolarHBondContact CB-OD1 3.18Å; T267-D269 PolarHBondContact O-N 3.46Å; T267-D269 PolarHBondContact OG1-OD1 3.17Å; T267-K270 PolarHBondContact O-N 2.95Å; T267-K270 VanDerWaalsContact OG1-CG 3.3Å; T267-K270 WeakPolarHBondContact OG1-CG 3.03Å
268	T	89.1	Confident	96.2	Very high	43 Å²	43	37.6 Å²	37.6	26%	0.264	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.3	-178.1	49.6	0	0	0	0	114.6	C94 K270 A318	C94-T268 HydrophobicContact CB-CG2 4Å; T268-K270 VanDerWaalsContact C-N 3.31Å; T268-A318 HydrophobicContact CG2-CB 3.77Å
269	D	90.6	Very high	96.2	Very high	85 Å²	85	37.4 Å²	37.4	46%	0.455	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.1	-177.1	66.8	-58.7	0	0	0	113.7	T267	T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 WeakPolarHBondContact CB-OD1 3.18Å; T267-D269 PolarHBondContact O-N 3.46Å; T267-D269 PolarHBondContact OG1-OD1 3.17Å
270	K	94.1	Very high	96.3	Very high	81 Å²	81	37.5 Å²	37.5	35%	0.352	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-18.9	-175.6	-61.8	-64.1	-178.7	-167.3	0	113.8	E246 H265 T267 T268 N272	E246-K270 WeakPolarHBondContact CB-O 3.15Å; E246-K270 WeakPolarHBondContact CG-O 3.4Å; H265-K270 HydrophobicContact CB-CB 3.84Å; H265-K270 HydrophobicContact CB-CG 3.66Å; T267-K270 PolarHBondContact O-N 2.95Å; T267-K270 VanDerWaalsContact OG1-CG 3.3Å; T267-K270 WeakPolarHBondContact OG1-CG 3.03Å; T268-K270 VanDerWaalsContact C-N 3.31Å; K270-N272 PolarHBondContact O-N 3.26Å
271	V	95.4	Very high	96.3	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.036	19%	0.191	C	C	.	.			trans	-59.5	134.5	176.2	-53.5	0	0	0	0	110.1	A244 F245 A318	A244-V271 HydrophobicContact CB-CB 3.98Å; A244-V271 HydrophobicContact CB-CG2 3.89Å; F245-V271 WeakPolarHBondContact O-CA 3.38Å; V271-A318 HydrophobicContact CG1-CB 4.21Å
272	N	97.2	Very high	96.2	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.027	21%	0.211	C	C	.	.			trans	-142.3	7.9	-170	66.3	16.9	0	0	0	112.8	L88 F245 V247 K270	L88-N272 VanDerWaalsContact CG-O 3.28Å; L88-N272 WeakPolarHBondContact CG-O 3.32Å; L88-N272 PolarHBondContact N-O 3.42Å; F245-N272 PolarHBondContact O-N 3.27Å; F245-N272 PolarHBondContact O-OD1 2.98Å; V247-N272 WeakPolarHBondContact CB-OD1 3.3Å; V247-N272 PolarHBondContact N-OD1 3.05Å; V247-N272 PolarHBondContact O-ND2 2.73Å; V247-N272 VanDerWaalsContact O-ND2 3.07Å; K270-N272 PolarHBondContact O-N 3.26Å
273	H	98.5	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	136.3	178.9	-166.7	51.6	0	0	0	110.5	L87 C133 A244 F245 V247 V275 N293 W295	L87-H273 HydrophobicContact CD2-CB 4.09Å; C133-H273 WeakPolarHBondContact CB-CE1 3.28Å; C133-H273 WeakPolarHBondContact CB-ND1 3.47Å; C133-H273 PolarHBondContact SG-ND1 3.39Å; A244-H273 CarbonylContact C-O 3.58Å; A244-H273 WeakPolarHBondContact CA-O 3.39Å; A244-H273 WeakPolarHBondContact CB-O 3.31Å; F245-H273 HydrophobicContact CE1-CB 4.28Å; F245-H273 AromaticContact CE1-CD2 3.7Å; F245-H273 PolarHBondContact N-O 2.92Å; F245-H273 PolarHBondContact O-N 2.87Å; V247-H273 HydrophobicContact CB-CB 4.43Å; V247-H273 HydrophobicContact CG2-CB 3.46Å; V247-H273 VanDerWaalsContact CG2-CB 3.46Å; H273-V275 VanDerWaalsContact CD2-CG1 3.49Å; H273-V275 WeakPolarHBondContact CD2-CG1 3.32Å; H273-V275 WeakPolarHBondContact NE2-CG1 3.13Å; H273-N293 PolarHBondContact NE2-OD1 3.17Å; H273-W295 AromaticContact CD2-CZ2 3.73Å; H273-W295 AromaticContact CE1-CE2 3.57Å; H273-W295 AromaticContact CE1-CZ2 3.49Å; H273-W295 VanDerWaalsContact CE1-CZ2 3.49Å; H273-W295 WeakPolarHBondContact CE1-CZ2 3.42Å; H273-W295 AromaticContact CE1-NE1 3.35Å; H273-W295 PolarHBondContact CE1-NE1 3.01Å; H273-W295 VanDerWaalsContact CE1-NE1 3.35Å; H273-W295 AromaticContact ND1-CZ2 3.93Å; H273-W295 AromaticContact NE2-CE2 3.6Å; H273-W295 AromaticContact NE2-CZ2 3.36Å; H273-W295 WeakPolarHBondContact NE2-CZ2 3.44Å; H273-W295 AromaticContact NE2-NE1 3.78Å
274	A	98.6	Very high	95.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.9	179.7	0	0	0	0	0	111.1	C133 W134 P178 F243 A244	C133-A274 WeakPolarHBondContact CB-O 3.4Å; C133-A274 PolarHBondContact SG-N 2.81Å; C133-A274 VanDerWaalsContact SG-N 3.35Å; W134-A274 HydrophobicContact CB-CB 4.15Å; P178-A274 HydrophobicContact CG-CB 4.19Å; F243-A274 CarbonylContact O-C 3.03Å; F243-A274 WeakPolarHBondContact O-CA 3.49Å; A244-A274 HydrophobicContact CB-CB 4.39Å
275	V	98.9	Very high	94.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	179.4	-170	-71.1	0	0	0	0	110.5	S137 S242 F243 F245 H273 V291 F305	S137-V275 PolarHBondContact OG-O 3.14Å; S242-V275 WeakPolarHBondContact CA-O 3.35Å; F243-V275 HydrophobicContact CD1-CG2 4.14Å; F243-V275 HydrophobicContact CD2-CG2 3.98Å; F243-V275 HydrophobicContact CE1-CG2 3.64Å; F243-V275 HydrophobicContact CE2-CG2 3.46Å; F243-V275 VanDerWaalsContact CE2-CG2 3.46Å; F243-V275 HydrophobicContact CG-CG2 4.31Å; F243-V275 HydrophobicContact CZ-CG2 3.29Å; F243-V275 PolarHBondContact N-O 3.23Å; F243-V275 PolarHBondContact O-N 2.85Å; F245-V275 HydrophobicContact CD1-CG2 3.77Å; F245-V275 HydrophobicContact CE1-CB 4.43Å; F245-V275 HydrophobicContact CE1-CG1 3.87Å; F245-V275 HydrophobicContact CE1-CG2 3.65Å; H273-V275 VanDerWaalsContact CD2-CG1 3.49Å; H273-V275 WeakPolarHBondContact CD2-CG1 3.32Å; H273-V275 WeakPolarHBondContact NE2-CG1 3.13Å; V275-V291 HydrophobicContact CB-CG1 3.63Å; V275-V291 HydrophobicContact CG1-CG1 4.47Å; V275-V291 HydrophobicContact CG2-CG1 3.55Å; V275-F305 HydrophobicContact CG1-CE1 4.19Å; V275-F305 HydrophobicContact CG1-CZ 4.45Å; V275-F305 HydrophobicContact CG2-CZ 4.25Å
276	L	98.9	Very high	94.7	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.4	-175.4	-177.5	71.3	0	0	0	111.7	C141 P240 V278 V291 K292	C141-L276 HydrophobicContact CB-CD1 3.65Å; P240-L276 HydrophobicContact CB-CD1 3.79Å; P240-L276 HydrophobicContact CB-CD2 4.18Å; P240-L276 HydrophobicContact CB-CG 3.98Å; L276-V278 HydrophobicContact CD2-CG1 3.8Å; L276-V278 HydrophobicContact CG-CG1 3.91Å; L276-V278 PolarHBondContact O-N 2.99Å; L276-V291 CarbonylContact O-C 3.51Å; L276-V291 WeakPolarHBondContact O-CA 3.28Å; L276-K292 HydrophobicContact CB-CB 4.25Å; L276-K292 HydrophobicContact CD2-CD 4.46Å; L276-K292 PolarHBondContact N-O 3.32Å; L276-K292 PolarHBondContact O-N 3.4Å
277	A	98.9	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	109.4	169.6	0	0	0	0	0	109.6	V235 P240 V241 F243 W289	V235-A277 HydrophobicContact CG2-CB 4.24Å; P240-A277 CarbonylContact C-O 3.6Å; P240-A277 WeakPolarHBondContact CA-O 3.45Å; P240-A277 WeakPolarHBondContact CB-O 3.1Å; V241-A277 PolarHBondContact N-O 2.88Å; V241-A277 PolarHBondContact O-N 3.32Å; F243-A277 HydrophobicContact CD1-CB 3.92Å; F243-A277 HydrophobicContact CE1-CB 3.76Å; A277-W289 HydrophobicContact CB-CE3 4.1Å; A277-W289 HydrophobicContact CB-CZ3 4.48Å
278	V	98.9	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	2.2	-179.5	-60.5	0	0	0	0	113	W114 R115 I121 P240 L276 I290 K292 Y304	W114-V278 WeakPolarHBondContact CB-O 3.09Å; W114-V278 VanDerWaalsContact CD1-O 3.25Å; W114-V278 PolarHBondContact N-O 3.32Å; R115-V278 HydrophobicContact CG-CG2 4.44Å; I121-V278 HydrophobicContact CD1-CB 4.17Å; I121-V278 HydrophobicContact CD1-CG1 3.8Å; I121-V278 HydrophobicContact CG1-CG1 4.37Å; I121-V278 HydrophobicContact CG2-CG1 4.32Å; P240-V278 HydrophobicContact CB-CG1 4.38Å; L276-V278 HydrophobicContact CD2-CG1 3.8Å; L276-V278 HydrophobicContact CG-CG1 3.91Å; L276-V278 PolarHBondContact O-N 2.99Å; V278-I290 HydrophobicContact CG2-CB 4.18Å; V278-I290 HydrophobicContact CG2-CG2 3.7Å; V278-I290 WeakPolarHBondContact CG2-O 3.42Å; V278-I290 PolarHBondContact N-O 3.14Å; V278-K292 HydrophobicContact CG1-CB 4.05Å; V278-Y304 HydrophobicContact CG2-CD1 4.14Å; V278-Y304 HydrophobicContact CG2-CE1 3.8Å
279	G	98.8	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-179.5	-177.6	0	0	0	0	0	112.2	I112 I290	I112-G279 CarbonylContact O-C 3.49Å; I112-G279 WeakPolarHBondContact O-CA 3.18Å; G279-I290 PolarHBondContact N-O 3.25Å; G279-I290 PolarHBondContact O-N 2.93Å
280	Y	98.8	Very high	96.1	Very high	3 Å²	3	30.8 Å²	30.8	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163.3	173.8	61.8	-102.7	0	0	0	110	P109 S111 I112 V232 V235 A236 Y288 W289	P109-Y280 WeakPolarHBondContact O-CE2 3.2Å; P109-Y280 PolarHBondContact O-OH 2.03Å; S111-Y280 CarbonylContact C-O 3.51Å; S111-Y280 VanDerWaalsContact CA-O 3.25Å; S111-Y280 WeakPolarHBondContact CA-O 3.36Å; S111-Y280 WeakPolarHBondContact CB-O 3.48Å; I112-Y280 HydrophobicContact CG2-CD1 3.47Å; I112-Y280 VanDerWaalsContact CG2-CD1 3.47Å; I112-Y280 HydrophobicContact CG2-CD2 4.39Å; I112-Y280 HydrophobicContact CG2-CE1 3.25Å; I112-Y280 HydrophobicContact CG2-CE2 4.21Å; I112-Y280 HydrophobicContact CG2-CG 4.04Å; I112-Y280 PolarHBondContact N-O 2.9Å; I112-Y280 PolarHBondContact O-N 2.91Å; I112-Y280 VanDerWaalsContact O-O 3.09Å; V232-Y280 HydrophobicContact CG1-CD1 4.26Å; V232-Y280 HydrophobicContact CG1-CE1 3.64Å; V232-Y280 HydrophobicContact CG1-CE2 4.24Å; V235-Y280 HydrophobicContact CB-CD1 4.29Å; V235-Y280 HydrophobicContact CB-CE1 4.36Å; V235-Y280 HydrophobicContact CG1-CD1 3.93Å; V235-Y280 HydrophobicContact CG1-CE1 4.2Å; A236-Y280 HydrophobicContact CB-CE1 4.18Å; A236-Y280 WeakPolarHBondContact CB-OH 3.45Å; Y280-Y288 CarbonylContact C-O 3.08Å; Y280-Y288 VanDerWaalsContact CA-O 3.25Å; Y280-Y288 WeakPolarHBondContact CA-O 3.47Å; Y280-Y288 VanDerWaalsContact CB-O 3.22Å; Y280-Y288 WeakPolarHBondContact CB-O 2.97Å; Y280-W289 HydrophobicContact CD1-CE3 4.33Å; Y280-W289 HydrophobicContact CD1-CH2 4.31Å; Y280-W289 AromaticContact CD1-CZ3 3.68Å; Y280-W289 HydrophobicContact CD1-CZ3 3.68Å; Y280-W289 HydrophobicContact CG-CE3 4.47Å; Y280-W289 HydrophobicContact CG-CZ3 4.2Å
281	G	98.3	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	-155	175.8	0	0	0	0	0	111.5	P287 Y288 R309	G281-P287 WeakPolarHBondContact O-CA 3.34Å; G281-Y288 PolarHBondContact N-O 2.97Å; G281-Y288 PolarHBondContact O-N 2.98Å; G281-R309 PolarHBondContact O-NH2 3.38Å
282	Q	95.6	Very high	96.5	Very high	113 Å²	113	27.5 Å²	27.5	53%	0.528	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.5	176	-170.7	176.1	33.5	0	0	109.1	G285 T286	Q282-G285 VanDerWaalsContact NE2-CA 3.31Å; Q282-G285 PolarHBondContact NE2-O 3.45Å; Q282-T286 CarbonylContact C-O 3.45Å; Q282-T286 WeakPolarHBondContact CA-O 3.34Å
283	D	88.4	Confident	96.5	Very high	85 Å²	85	27.5 Å²	27.5	46%	0.455	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.1	172.5	-179.2	33	0	0	0	109.1	G285 T286 Y288	D283-G285 PolarHBondContact O-N 2.96Å; D283-T286 PolarHBondContact N-O 3.42Å; D283-T286 WeakPolarHBondContact O-CB 3.25Å; D283-T286 PolarHBondContact O-N 3.21Å; D283-Y288 HydrophobicContact CB-CD1 4.18Å; D283-Y288 HydrophobicContact CB-CE1 3.86Å
284	N	85.5	Confident	96.5	Very high	157 Å²	157	27.7 Å²	27.7	84%	0.84	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	37.5	-179.3	-63.7	-49.9	0	0	0	115.1
285	G	86.5	Confident	96.6	Very high	49 Å²	49	27.7 Å²	27.7	51%	0.505	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-12.2	-178.3	0	0	0	0	0	114.9	Q282 D283 P287	Q282-G285 VanDerWaalsContact NE2-CA 3.31Å; Q282-G285 PolarHBondContact NE2-O 3.45Å; D283-G285 PolarHBondContact O-N 2.96Å; G285-P287 VanDerWaalsContact O-CD 3.31Å; G285-P287 WeakPolarHBondContact O-CD 3.47Å
286	T	91.3	Very high	96.5	Very high	48 Å²	48	27.7 Å²	27.7	29%	0.294	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.2	177.9	-59.2	0	0	0	0	111	V258 Q282 D283 E308	V258-T286 HydrophobicContact CG1-CG2 4.05Å; Q282-T286 CarbonylContact C-O 3.45Å; Q282-T286 WeakPolarHBondContact CA-O 3.34Å; D283-T286 PolarHBondContact N-O 3.42Å; D283-T286 WeakPolarHBondContact O-CB 3.25Å; D283-T286 PolarHBondContact O-N 3.21Å; T286-E308 HydrophobicContact CG2-CG 4.26Å
287	P	97.7	Very high	96.5	Very high	38 Å²	38	30.5 Å²	30.5	25%	0.247	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.8	176.4	-16.1	32.5	0	0	0	110.9	G281 G285 R309	G281-P287 WeakPolarHBondContact O-CA 3.34Å; G285-P287 VanDerWaalsContact O-CD 3.31Å; G285-P287 WeakPolarHBondContact O-CD 3.47Å; P287-R309 HydrophobicContact CB-CB 4.12Å; P287-R309 PolarHBondContact O-N 3.14Å
288	Y	98.8	Very high	96.4	Very high	44 Å²	44	40 Å²	40	17%	0.173	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.8	177.1	62.6	-102.9	0	0	0	112.6	V258 Y280 G281 D283 I290 L306 I307 R309	V258-Y288 HydrophobicContact CG2-CD1 3.91Å; V258-Y288 HydrophobicContact CG2-CG 4.2Å; Y280-Y288 CarbonylContact C-O 3.08Å; Y280-Y288 VanDerWaalsContact CA-O 3.25Å; Y280-Y288 WeakPolarHBondContact CA-O 3.47Å; Y280-Y288 VanDerWaalsContact CB-O 3.22Å; Y280-Y288 WeakPolarHBondContact CB-O 2.97Å; G281-Y288 PolarHBondContact N-O 2.97Å; G281-Y288 PolarHBondContact O-N 2.98Å; D283-Y288 HydrophobicContact CB-CD1 4.18Å; D283-Y288 HydrophobicContact CB-CE1 3.86Å; Y288-I290 HydrophobicContact CD2-CG1 4.11Å; Y288-I290 HydrophobicContact CE2-CD1 4.26Å; Y288-I290 HydrophobicContact CE2-CG1 3.67Å; Y288-L306 HydrophobicContact CD1-CD1 4.43Å; Y288-L306 HydrophobicContact CD2-CB 4.19Å; Y288-L306 HydrophobicContact CD2-CD1 4.09Å; Y288-L306 HydrophobicContact CD2-CD2 3.77Å; Y288-L306 HydrophobicContact CD2-CG 4.23Å; Y288-L306 HydrophobicContact CE1-CD1 4.41Å; Y288-L306 HydrophobicContact CE2-CD1 4.1Å; Y288-L306 HydrophobicContact CE2-CD2 3.83Å; Y288-L306 HydrophobicContact CE2-CG 4.49Å; Y288-L306 HydrophobicContact CG-CB 4.29Å; Y288-L306 HydrophobicContact CG-CD1 4.28Å; Y288-I307 CarbonylContact C-O 3.47Å; Y288-I307 VanDerWaalsContact CA-O 3.24Å; Y288-I307 WeakPolarHBondContact CA-O 3.34Å; Y288-I307 WeakPolarHBondContact CB-O 3.32Å; Y288-R309 PolarHBondContact O-NE 2.64Å
289	W	98.9	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.4	163	-68.4	108	0	0	0	110.5	E228 M231 V232 V235 A277 Y280 V291 L306 I307 R309	E228-W289 HydrophobicContact CG-CZ2 4.03Å; E228-W289 PolarHBondContact OE1-NE1 3.27Å; M231-W289 HydrophobicContact CB-CH2 3.81Å; M231-W289 HydrophobicContact CB-CZ2 3.93Å; V232-W289 HydrophobicContact CB-CH2 4.21Å; V232-W289 HydrophobicContact CG2-CH2 3.59Å; V232-W289 HydrophobicContact CG2-CZ2 3.72Å; V235-W289 HydrophobicContact CB-CZ3 4.17Å; V235-W289 HydrophobicContact CG1-CZ3 4.44Å; V235-W289 HydrophobicContact CG2-CZ3 3.92Å; A277-W289 HydrophobicContact CB-CE3 4.1Å; A277-W289 HydrophobicContact CB-CZ3 4.48Å; Y280-W289 HydrophobicContact CD1-CE3 4.33Å; Y280-W289 HydrophobicContact CD1-CH2 4.31Å; Y280-W289 AromaticContact CD1-CZ3 3.68Å; Y280-W289 HydrophobicContact CD1-CZ3 3.68Å; Y280-W289 HydrophobicContact CG-CE3 4.47Å; Y280-W289 HydrophobicContact CG-CZ3 4.2Å; W289-V291 HydrophobicContact CB-CG2 3.74Å; W289-L306 VanDerWaalsContact O-CA 3.25Å; W289-L306 WeakPolarHBondContact O-CA 3.47Å; W289-I307 HydrophobicContact CB-CG2 3.78Å; W289-I307 HydrophobicContact CG-CG2 4.41Å; W289-I307 PolarHBondContact N-O 2.68Å; W289-I307 PolarHBondContact O-N 3.31Å; W289-R309 HydrophobicContact CD2-CB 4.49Å; W289-R309 HydrophobicContact CD2-CG 4.28Å; W289-R309 VanDerWaalsContact CE2-CD 3.4Å; W289-R309 HydrophobicContact CG-CB 4.18Å; W289-R309 HydrophobicContact CG-CG 4.46Å; W289-R309 HydrophobicContact CZ2-CG 3.93Å
290	I	98.9	Very high	96.4	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.8	167.2	-54.2	170.6	0	0	0	106.7	D113 V278 G279 Y288 Y304 L306	D113-I290 HydrophobicContact CB-CD1 4.04Å; V278-I290 HydrophobicContact CG2-CB 4.18Å; V278-I290 HydrophobicContact CG2-CG2 3.7Å; V278-I290 WeakPolarHBondContact CG2-O 3.42Å; V278-I290 PolarHBondContact N-O 3.14Å; G279-I290 PolarHBondContact N-O 3.25Å; G279-I290 PolarHBondContact O-N 2.93Å; Y288-I290 HydrophobicContact CD2-CG1 4.11Å; Y288-I290 HydrophobicContact CE2-CD1 4.26Å; Y288-I290 HydrophobicContact CE2-CG1 3.67Å; I290-Y304 HydrophobicContact CG2-CD1 4.37Å; I290-L306 HydrophobicContact CB-CD2 4.31Å; I290-L306 HydrophobicContact CG1-CD2 3.94Å; I290-L306 HydrophobicContact CG2-CD2 4.38Å
291	V	98.9	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.2	-168	-170.4	0	0	0	0	110.8	F243 V275 L276 W289 Y304 F305 I307	F243-V291 HydrophobicContact CE1-CG1 3.74Å; F243-V291 HydrophobicContact CE1-CG2 3.98Å; F243-V291 HydrophobicContact CZ-CB 4.42Å; F243-V291 HydrophobicContact CZ-CG1 3.69Å; F243-V291 HydrophobicContact CZ-CG2 3.8Å; V275-V291 HydrophobicContact CB-CG1 3.63Å; V275-V291 HydrophobicContact CG1-CG1 4.47Å; V275-V291 HydrophobicContact CG2-CG1 3.55Å; L276-V291 CarbonylContact O-C 3.51Å; L276-V291 WeakPolarHBondContact O-CA 3.28Å; W289-V291 HydrophobicContact CB-CG2 3.74Å; V291-Y304 CarbonylContact O-C 3.59Å; V291-Y304 WeakPolarHBondContact O-CA 3.44Å; V291-Y304 WeakPolarHBondContact O-CB 3.28Å; V291-Y304 WeakPolarHBondContact O-CD1 3.46Å; V291-F305 HydrophobicContact CB-CD1 3.88Å; V291-F305 HydrophobicContact CB-CD2 4.19Å; V291-F305 HydrophobicContact CB-CE1 3.51Å; V291-F305 HydrophobicContact CB-CE2 3.84Å; V291-F305 HydrophobicContact CB-CG 4.23Å; V291-F305 HydrophobicContact CB-CZ 3.5Å; V291-F305 HydrophobicContact CG1-CD1 4.15Å; V291-F305 HydrophobicContact CG1-CE1 3.32Å; V291-F305 HydrophobicContact CG1-CE2 4.12Å; V291-F305 HydrophobicContact CG1-CZ 3.31Å; V291-F305 HydrophobicContact CG2-CD2 4.45Å; V291-F305 HydrophobicContact CG2-CE1 4.49Å; V291-F305 HydrophobicContact CG2-CE2 3.97Å; V291-F305 HydrophobicContact CG2-CZ 4.02Å; V291-F305 PolarHBondContact N-O 3.36Å; V291-F305 PolarHBondContact O-N 3Å; V291-I307 HydrophobicContact CG2-CG2 3.8Å
292	K	98.9	Very high	96.4	Very high	17 Å²	17	49.1 Å²	49.1	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.6	172.9	-171.1	-178.2	175	-179.2	0	109.1	I121 T122 P123 V124 L276 V278 Y304	I121-K292 HydrophobicContact CG2-CD 4.01Å; T122-K292 PolarHBondContact O-NZ 3.09Å; T122-K292 PolarHBondContact OG1-NZ 3.16Å; P123-K292 WeakPolarHBondContact O-CE 3.3Å; P123-K292 PolarHBondContact O-NZ 2.63Å; V124-K292 HydrophobicContact CG2-CG 4.23Å; L276-K292 HydrophobicContact CB-CB 4.25Å; L276-K292 HydrophobicContact CD2-CD 4.46Å; L276-K292 PolarHBondContact N-O 3.32Å; L276-K292 PolarHBondContact O-N 3.4Å; V278-K292 HydrophobicContact CG1-CB 4.05Å; K292-Y304 HydrophobicContact CB-CD1 3.9Å; K292-Y304 HydrophobicContact CB-CE1 3.47Å; K292-Y304 VanDerWaalsContact CB-CE1 3.47Å; K292-Y304 HydrophobicContact CD-CE1 4.4Å; K292-Y304 HydrophobicContact CG-CD1 4.38Å; K292-Y304 HydrophobicContact CG-CE1 3.74Å
293	N	98.9	Very high	96.5	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.032	24%	0.238	C	C	.	.			trans	-99.9	176.5	174	-157.4	2.5	0	0	0	111.2	H273 W295 W299 G303 F305	H273-N293 PolarHBondContact NE2-OD1 3.17Å; N293-W295 VanDerWaalsContact ND2-CD2 3.26Å; N293-W295 WeakPolarHBondContact ND2-CZ3 3.46Å; N293-W299 HydrophobicContact CB-CE3 4.07Å; N293-W299 HydrophobicContact CB-CZ3 3.84Å; N293-W299 WeakPolarHBondContact ND2-CH2 3.36Å; N293-W299 WeakPolarHBondContact ND2-CZ3 3.47Å; N293-G303 WeakPolarHBondContact CB-O 3.31Å; N293-G303 PolarHBondContact N-O 2.78Å; N293-F305 HydrophobicContact CB-CD1 4.21Å; N293-F305 HydrophobicContact CB-CE1 4.24Å
294	S	98.8	Very high	97	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	22%	0.22	C	C	.	.	S	Bend	trans	-124.1	26.3	-178.4	51.2	0	0	0	0	113.1	K125 N126 Q127	K125-S294 CarbonylContact O-C 3.59Å; N126-S294 CarbonylContact C-O 3.44Å; N126-S294 WeakPolarHBondContact CA-O 3.34Å; Q127-S294 PolarHBondContact N-O 3.2Å; Q127-S294 PolarHBondContact OE1-OG 2.97Å
295	W	98.8	Very high	97.7	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-102	22.8	178.2	-59.9	-19.8	0	0	0	112.6	E73 F74 F82 L87 Q127 V247 F251 H273 N293 W299	E73-W295 VanDerWaalsContact OE1-O 3.06Å; F74-W295 HydrophobicContact CE2-CB 4.1Å; F74-W295 HydrophobicContact CE2-CD2 4.17Å; F74-W295 AromaticContact CE2-CE3 3.98Å; F74-W295 HydrophobicContact CE2-CE3 3.98Å; F74-W295 HydrophobicContact CE2-CG 4.22Å; F74-W295 HydrophobicContact CZ-CB 3.97Å; F74-W295 HydrophobicContact CZ-CD2 4.37Å; F74-W295 HydrophobicContact CZ-CG 4.08Å; F82-W295 HydrophobicContact CE1-CH2 4.11Å; F82-W295 HydrophobicContact CE1-CZ2 4.14Å; F82-W295 HydrophobicContact CZ-CD2 4.35Å; F82-W295 AromaticContact CZ-CE2 3.96Å; F82-W295 HydrophobicContact CZ-CE3 4.34Å; F82-W295 AromaticContact CZ-CH2 3.68Å; F82-W295 HydrophobicContact CZ-CH2 3.68Å; F82-W295 AromaticContact CZ-CZ2 3.63Å; F82-W295 HydrophobicContact CZ-CZ2 3.63Å; F82-W295 HydrophobicContact CZ-CZ3 4.03Å; L87-W295 HydrophobicContact CD2-CZ2 4.19Å; Q127-W295 VanDerWaalsContact OE1-CD1 3.23Å; V247-W295 HydrophobicContact CG1-CH2 4.09Å; V247-W295 HydrophobicContact CG2-CH2 4.04Å; V247-W295 HydrophobicContact CG2-CZ2 4.42Å; F251-W295 AromaticContact CD1-CH2 3.78Å; F251-W295 HydrophobicContact CD1-CH2 3.78Å; F251-W295 AromaticContact CD1-CZ3 3.88Å; F251-W295 HydrophobicContact CD1-CZ3 3.88Å; F251-W295 AromaticContact CE1-CH2 3.68Å; F251-W295 HydrophobicContact CE1-CH2 3.68Å; F251-W295 AromaticContact CE1-CZ3 3.69Å; F251-W295 HydrophobicContact CE1-CZ3 3.69Å; H273-W295 AromaticContact CD2-CZ2 3.73Å; H273-W295 AromaticContact CE1-CE2 3.57Å; H273-W295 AromaticContact CE1-CZ2 3.49Å; H273-W295 VanDerWaalsContact CE1-CZ2 3.49Å; H273-W295 WeakPolarHBondContact CE1-CZ2 3.42Å; H273-W295 AromaticContact CE1-NE1 3.35Å; H273-W295 PolarHBondContact CE1-NE1 3.01Å; H273-W295 VanDerWaalsContact CE1-NE1 3.35Å; H273-W295 AromaticContact ND1-CZ2 3.93Å; H273-W295 AromaticContact NE2-CE2 3.6Å; H273-W295 AromaticContact NE2-CZ2 3.36Å; H273-W295 WeakPolarHBondContact NE2-CZ2 3.44Å; H273-W295 AromaticContact NE2-NE1 3.78Å; N293-W295 VanDerWaalsContact ND2-CD2 3.26Å; N293-W295 WeakPolarHBondContact ND2-CZ3 3.46Å; W295-W299 HydrophobicContact CB-CB 4.2Å; W295-W299 HydrophobicContact CB-CG 4.22Å; W295-W299 AromaticContact CE3-CD1 3.85Å; W295-W299 AromaticContact CE3-CD2 3.77Å; W295-W299 HydrophobicContact CE3-CD2 3.77Å; W295-W299 AromaticContact CE3-CE2 3.4Å; W295-W299 HydrophobicContact CE3-CE3 4.45Å; W295-W299 HydrophobicContact CE3-CG 4.06Å; W295-W299 HydrophobicContact CE3-CH2 4.48Å; W295-W299 AromaticContact CE3-CZ2 3.78Å; W295-W299 HydrophobicContact CE3-CZ2 3.78Å; W295-W299 AromaticContact CE3-NE1 3.45Å; W295-W299 HydrophobicContact CZ3-CD2 4.4Å; W295-W299 AromaticContact CZ3-CE2 3.6Å; W295-W299 HydrophobicContact CZ3-CH2 4.32Å; W295-W299 AromaticContact CZ3-CZ2 3.53Å; W295-W299 HydrophobicContact CZ3-CZ2 3.53Å; W295-W299 AromaticContact CZ3-NE1 3.73Å
296	G	98.4	Very high	98.2	Very high	3 Å²	3	32.4 Å²	32.4	3%	0.031	16%	0.164	C	C	.	.			trans	83.3	166.4	-178.1	0	0	0	0	0	113.9	K125 Y298 G303	K125-G296 WeakPolarHBondContact O-CA 3.39Å; K125-G296 PolarHBondContact O-N 3.34Å; G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 PolarHBondContact O-N 2.99Å; G296-G303 WeakPolarHBondContact O-CA 3.29Å
297	P	97.9	Very high	98.6	Very high	62 Å²	62	30.1 Å²	30.1	40%	0.403	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.1	-170	31.6	-37.2	0	0	0	114	V124 D302 G303	V124-P297 HydrophobicContact CB-CB 4.46Å; P297-D302 CarbonylContact O-C 3.55Å; P297-D302 WeakPolarHBondContact O-CA 3.42Å; P297-G303 PolarHBondContact O-N 2.04Å
298	Y	97.1	Very high	98.6	Very high	199 Å²	199	29.4 Å²	29.4	78%	0.78	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-11.3	-177.6	-57.9	-64.8	0	0	0	113.4	G296	G296-Y298 VanDerWaalsContact C-N 3.28Å; G296-Y298 PolarHBondContact O-N 2.99Å
299	W	98.7	Very high	98.6	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.142	C	C	.	.	S	Bend	trans	-82.2	141.1	174	-179.2	94.1	0	0	0	110.4	F74 F251 M252 Y254 N293 W295 G303 F305	F74-W299 AromaticContact CE2-CD1 3.76Å; F251-W299 HydrophobicContact CD1-CZ2 4.15Å; F251-W299 AromaticContact CE1-CH2 3.65Å; F251-W299 HydrophobicContact CE1-CH2 3.65Å; F251-W299 AromaticContact CE1-CZ2 3.66Å; F251-W299 HydrophobicContact CE1-CZ2 3.66Å; F251-W299 HydrophobicContact CE2-CH2 4.22Å; F251-W299 AromaticContact CZ-CH2 3.48Å; F251-W299 HydrophobicContact CZ-CH2 3.48Å; F251-W299 VanDerWaalsContact CZ-CH2 3.48Å; F251-W299 AromaticContact CZ-CZ2 3.92Å; F251-W299 HydrophobicContact CZ-CZ2 3.92Å; F251-W299 WeakPolarHBondContact O-CZ2 3.24Å; M252-W299 PolarHBondContact O-NE1 3.17Å; Y254-W299 AromaticContact CD1-CH2 3.72Å; Y254-W299 HydrophobicContact CD1-CH2 3.72Å; Y254-W299 HydrophobicContact CD1-CZ2 4.06Å; Y254-W299 HydrophobicContact CD1-CZ3 4.17Å; Y254-W299 HydrophobicContact CG-CH2 4.27Å; Y254-W299 HydrophobicContact CG-CZ2 4.34Å; N293-W299 HydrophobicContact CB-CE3 4.07Å; N293-W299 HydrophobicContact CB-CZ3 3.84Å; N293-W299 WeakPolarHBondContact ND2-CH2 3.36Å; N293-W299 WeakPolarHBondContact ND2-CZ3 3.47Å; W295-W299 HydrophobicContact CB-CB 4.2Å; W295-W299 HydrophobicContact CB-CG 4.22Å; W295-W299 AromaticContact CE3-CD1 3.85Å; W295-W299 AromaticContact CE3-CD2 3.77Å; W295-W299 HydrophobicContact CE3-CD2 3.77Å; W295-W299 AromaticContact CE3-CE2 3.4Å; W295-W299 HydrophobicContact CE3-CE3 4.45Å; W295-W299 HydrophobicContact CE3-CG 4.06Å; W295-W299 HydrophobicContact CE3-CH2 4.48Å; W295-W299 AromaticContact CE3-CZ2 3.78Å; W295-W299 HydrophobicContact CE3-CZ2 3.78Å; W295-W299 AromaticContact CE3-NE1 3.45Å; W295-W299 HydrophobicContact CZ3-CD2 4.4Å; W295-W299 AromaticContact CZ3-CE2 3.6Å; W295-W299 HydrophobicContact CZ3-CH2 4.32Å; W295-W299 AromaticContact CZ3-CZ2 3.53Å; W295-W299 HydrophobicContact CZ3-CZ2 3.53Å; W295-W299 AromaticContact CZ3-NE1 3.73Å; W299-G303 WeakPolarHBondContact O-CA 3.18Å; W299-G303 PolarHBondContact O-N 2.9Å; W299-F305 HydrophobicContact CH2-CB 3.89Å; W299-F305 AromaticContact CH2-CD1 3.88Å; W299-F305 HydrophobicContact CH2-CD1 3.88Å; W299-F305 HydrophobicContact CH2-CG 4.07Å; W299-F305 HydrophobicContact CZ3-CB 3.92Å; W299-F305 AromaticContact CZ3-CD1 3.79Å; W299-F305 HydrophobicContact CZ3-CD1 3.79Å; W299-F305 HydrophobicContact CZ3-CG 4.22Å
300	G	98.7	Very high	98.5	Very high	9 Å²	9	32.1 Å²	32.1	9%	0.093	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-138.6	178.8	0	0	0	0	0	113.6	H255 D302	H255-G300 CarbonylContact O-C 3.51Å; H255-G300 VanDerWaalsContact O-CA 3.3Å; H255-G300 WeakPolarHBondContact O-CA 3.15Å; G300-D302 PolarHBondContact O-N 3.41Å
301	I	98.5	Very high	98.5	Very high	59 Å²	59	37.2 Å²	37.2	30%	0.303	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-95.8	88.5	178.6	-50.9	171.5	0	0	0	108.2	Y254 H255 Q256 G303 Y304 L306	Y254-I301 HydrophobicContact CE1-CG1 4.29Å; Y254-I301 WeakPolarHBondContact OH-CD1 3.03Å; H255-I301 WeakPolarHBondContact O-CG1 3.07Å; H255-I301 PolarHBondContact O-N 3.28Å; Q256-I301 HydrophobicContact CB-CD1 4.14Å; Q256-I301 HydrophobicContact CB-CG1 3.9Å; I301-G303 PolarHBondContact O-N 3.47Å; I301-Y304 PolarHBondContact N-O 2.94Å; I301-Y304 WeakPolarHBondContact O-CA 3.46Å; I301-Y304 VanDerWaalsContact O-CB 3.31Å; I301-Y304 WeakPolarHBondContact O-CB 3.46Å; I301-Y304 PolarHBondContact O-N 3.09Å; I301-L306 HydrophobicContact CD1-CG 4.23Å
302	D	98.4	Very high	98.4	Very high	127 Å²	127	38.3 Å²	38.3	68%	0.679	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	36.3	-177.5	-56.7	-46.3	0	0	0	113.3	P297 G300 Y304	P297-D302 CarbonylContact O-C 3.55Å; P297-D302 WeakPolarHBondContact O-CA 3.42Å; G300-D302 PolarHBondContact O-N 3.41Å; D302-Y304 WeakPolarHBondContact O-CD2 3.42Å
303	G	98.8	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	4.9	-175.4	0	0	0	0	0	115.2	N293 G296 P297 W299 I301	N293-G303 WeakPolarHBondContact CB-O 3.31Å; N293-G303 PolarHBondContact N-O 2.78Å; G296-G303 WeakPolarHBondContact O-CA 3.29Å; P297-G303 PolarHBondContact O-N 2.04Å; W299-G303 WeakPolarHBondContact O-CA 3.18Å; W299-G303 PolarHBondContact O-N 2.9Å; I301-G303 PolarHBondContact O-N 3.47Å
304	Y	98.9	Very high	98.4	Very high	22 Å²	22	37.9 Å²	37.9	9%	0.086	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	165.9	174.2	-64.4	-101.4	0	0	0	111.4	I121 V124 V278 I290 V291 K292 I301 D302	I121-Y304 WeakPolarHBondContact CG2-OH 3.12Å; V124-Y304 HydrophobicContact CG2-CD2 4.11Å; V124-Y304 HydrophobicContact CG2-CE2 3.57Å; V278-Y304 HydrophobicContact CG2-CD1 4.14Å; V278-Y304 HydrophobicContact CG2-CE1 3.8Å; I290-Y304 HydrophobicContact CG2-CD1 4.37Å; V291-Y304 CarbonylContact O-C 3.59Å; V291-Y304 WeakPolarHBondContact O-CA 3.44Å; V291-Y304 WeakPolarHBondContact O-CB 3.28Å; V291-Y304 WeakPolarHBondContact O-CD1 3.46Å; K292-Y304 HydrophobicContact CB-CD1 3.9Å; K292-Y304 HydrophobicContact CB-CE1 3.47Å; K292-Y304 VanDerWaalsContact CB-CE1 3.47Å; K292-Y304 HydrophobicContact CD-CE1 4.4Å; K292-Y304 HydrophobicContact CG-CD1 4.38Å; K292-Y304 HydrophobicContact CG-CE1 3.74Å; I301-Y304 PolarHBondContact N-O 2.94Å; I301-Y304 WeakPolarHBondContact O-CA 3.46Å; I301-Y304 VanDerWaalsContact O-CB 3.31Å; I301-Y304 WeakPolarHBondContact O-CB 3.46Å; I301-Y304 PolarHBondContact O-N 3.09Å; D302-Y304 WeakPolarHBondContact O-CD2 3.42Å
305	F	98.9	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.9	167.1	64.7	-80.5	0	0	0	110.9	F245 F251 Y254 V275 V291 N293 W299 I307	F245-F305 AromaticContact CE1-CZ 3.92Å; F245-F305 HydrophobicContact CE1-CZ 3.92Å; F245-F305 HydrophobicContact CZ-CE2 4.35Å; F245-F305 AromaticContact CZ-CZ 3.86Å; F245-F305 HydrophobicContact CZ-CZ 3.86Å; F251-F305 AromaticContact CE2-CD2 3.61Å; F251-F305 HydrophobicContact CE2-CD2 3.61Å; F251-F305 AromaticContact CE2-CE2 3.69Å; F251-F305 HydrophobicContact CE2-CE2 3.69Å; F251-F305 HydrophobicContact CE2-CG 4.04Å; F251-F305 HydrophobicContact CE2-CZ 4.18Å; F251-F305 AromaticContact CZ-CD1 3.89Å; F251-F305 HydrophobicContact CZ-CD1 3.89Å; F251-F305 AromaticContact CZ-CD2 3.75Å; F251-F305 HydrophobicContact CZ-CD2 3.75Å; F251-F305 AromaticContact CZ-CE1 3.79Å; F251-F305 HydrophobicContact CZ-CE1 3.79Å; F251-F305 AromaticContact CZ-CE2 3.66Å; F251-F305 HydrophobicContact CZ-CE2 3.66Å; F251-F305 AromaticContact CZ-CG 3.84Å; F251-F305 HydrophobicContact CZ-CG 3.84Å; F251-F305 AromaticContact CZ-CZ 3.66Å; F251-F305 HydrophobicContact CZ-CZ 3.66Å; Y254-F305 HydrophobicContact CD1-CB 3.68Å; Y254-F305 HydrophobicContact CE1-CB 3.25Å; Y254-F305 HydrophobicContact CE2-CB 4.36Å; Y254-F305 HydrophobicContact CG-CB 4.4Å; V275-F305 HydrophobicContact CG1-CE1 4.19Å; V275-F305 HydrophobicContact CG1-CZ 4.45Å; V275-F305 HydrophobicContact CG2-CZ 4.25Å; V291-F305 HydrophobicContact CB-CD1 3.88Å; V291-F305 HydrophobicContact CB-CD2 4.19Å; V291-F305 HydrophobicContact CB-CE1 3.51Å; V291-F305 HydrophobicContact CB-CE2 3.84Å; V291-F305 HydrophobicContact CB-CG 4.23Å; V291-F305 HydrophobicContact CB-CZ 3.5Å; V291-F305 HydrophobicContact CG1-CD1 4.15Å; V291-F305 HydrophobicContact CG1-CE1 3.32Å; V291-F305 HydrophobicContact CG1-CE2 4.12Å; V291-F305 HydrophobicContact CG1-CZ 3.31Å; V291-F305 HydrophobicContact CG2-CD2 4.45Å; V291-F305 HydrophobicContact CG2-CE1 4.49Å; V291-F305 HydrophobicContact CG2-CE2 3.97Å; V291-F305 HydrophobicContact CG2-CZ 4.02Å; V291-F305 PolarHBondContact N-O 3.36Å; V291-F305 PolarHBondContact O-N 3Å; N293-F305 HydrophobicContact CB-CD1 4.21Å; N293-F305 HydrophobicContact CB-CE1 4.24Å; W299-F305 HydrophobicContact CH2-CB 3.89Å; W299-F305 AromaticContact CH2-CD1 3.88Å; W299-F305 HydrophobicContact CH2-CD1 3.88Å; W299-F305 HydrophobicContact CH2-CG 4.07Å; W299-F305 HydrophobicContact CZ3-CB 3.92Å; W299-F305 AromaticContact CZ3-CD1 3.79Å; W299-F305 HydrophobicContact CZ3-CD1 3.79Å; W299-F305 HydrophobicContact CZ3-CG 4.22Å; F305-I307 HydrophobicContact CD2-CB 4.03Å; F305-I307 HydrophobicContact CD2-CG2 4.28Å; F305-I307 HydrophobicContact CE2-CB 3.85Å; F305-I307 HydrophobicContact CE2-CD1 4.39Å; F305-I307 HydrophobicContact CE2-CG2 3.81Å
306	L	98.9	Very high	98.3	Very high	31 Å²	31	37.7 Å²	37.7	16%	0.162	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.9	166.6	-46.7	-179.4	0	0	0	108.9	Y254 G257 V258 Y259 Y288 W289 I290 I301	Y254-L306 PolarHBondContact OH-N 3.02Å; Y254-L306 VanDerWaalsContact OH-N 3.08Å; G257-L306 WeakPolarHBondContact O-CB 3.35Å; V258-L306 HydrophobicContact CG2-CB 4.34Å; V258-L306 HydrophobicContact CG2-CD1 4.38Å; Y259-L306 WeakPolarHBondContact CB-O 3.37Å; Y259-L306 PolarHBondContact N-O 2.97Å; Y288-L306 HydrophobicContact CD1-CD1 4.43Å; Y288-L306 HydrophobicContact CD2-CB 4.19Å; Y288-L306 HydrophobicContact CD2-CD1 4.09Å; Y288-L306 HydrophobicContact CD2-CD2 3.77Å; Y288-L306 HydrophobicContact CD2-CG 4.23Å; Y288-L306 HydrophobicContact CE1-CD1 4.41Å; Y288-L306 HydrophobicContact CE2-CD1 4.1Å; Y288-L306 HydrophobicContact CE2-CD2 3.83Å; Y288-L306 HydrophobicContact CE2-CG 4.49Å; Y288-L306 HydrophobicContact CG-CB 4.29Å; Y288-L306 HydrophobicContact CG-CD1 4.28Å; W289-L306 VanDerWaalsContact O-CA 3.25Å; W289-L306 WeakPolarHBondContact O-CA 3.47Å; I290-L306 HydrophobicContact CB-CD2 4.31Å; I290-L306 HydrophobicContact CG1-CD2 3.94Å; I290-L306 HydrophobicContact CG2-CD2 4.38Å; I301-L306 HydrophobicContact CD1-CG 4.23Å
307	I	98.9	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.6	176.3	-176.7	167.1	0	0	0	109.3	F245 Y259 Y288 W289 V291 F305 R309 M313 L316	F245-I307 HydrophobicContact CD2-CD1 4.4Å; Y259-I307 HydrophobicContact CD1-CD1 3.98Å; Y259-I307 HydrophobicContact CD1-CG1 4.06Å; Y288-I307 CarbonylContact C-O 3.47Å; Y288-I307 VanDerWaalsContact CA-O 3.24Å; Y288-I307 WeakPolarHBondContact CA-O 3.34Å; Y288-I307 WeakPolarHBondContact CB-O 3.32Å; W289-I307 HydrophobicContact CB-CG2 3.78Å; W289-I307 HydrophobicContact CG-CG2 4.41Å; W289-I307 PolarHBondContact N-O 2.68Å; W289-I307 PolarHBondContact O-N 3.31Å; V291-I307 HydrophobicContact CG2-CG2 3.8Å; F305-I307 HydrophobicContact CD2-CB 4.03Å; F305-I307 HydrophobicContact CD2-CG2 4.28Å; F305-I307 HydrophobicContact CE2-CB 3.85Å; F305-I307 HydrophobicContact CE2-CD1 4.39Å; F305-I307 HydrophobicContact CE2-CG2 3.81Å; I307-R309 PolarHBondContact O-N 3.17Å; I307-M313 HydrophobicContact CD1-CB 4.21Å; I307-M313 HydrophobicContact CD1-CG 3.85Å; I307-M313 HydrophobicContact CG1-CB 4.05Å; I307-M313 HydrophobicContact CG1-CG 3.71Å; I307-L316 HydrophobicContact CD1-CD2 4.03Å; I307-L316 HydrophobicContact CG1-CD2 4.17Å; I307-L316 HydrophobicContact CG2-CD2 4.18Å
308	E	98.6	Very high	98	Very high	22 Å²	22	34.7 Å²	34.7	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	131.3	-176.4	-174.6	175.5	-148	0	0	111.7	V258 Y259 T260 T286 K311 M313	V258-E308 HydrophobicContact CG1-CB 3.94Å; Y259-E308 PolarHBondContact O-N 3.29Å; T260-E308 HydrophobicContact CG2-CB 3.66Å; T260-E308 HydrophobicContact CG2-CG 4.31Å; T260-E308 VanDerWaalsContact CG2-OE2 3.3Å; T260-E308 WeakPolarHBondContact CG2-OE2 3.42Å; T286-E308 HydrophobicContact CG2-CG 4.26Å; E308-K311 VanDerWaalsContact CD-CE 3.43Å; E308-K311 HydrophobicContact CG-CD 4.43Å; E308-K311 WeakPolarHBondContact OE1-CE 3.16Å; E308-K311 IonicContact OE1-NZ 3.27Å; E308-K311 PolarHBondContact OE1-NZ 2.76Å; E308-K311 VanDerWaalsContact OE2-CD 3.28Å; E308-K311 WeakPolarHBondContact OE2-CD 3.36Å; E308-K311 WeakPolarHBondContact OE2-CE 3.02Å; E308-K311 IonicContact OE2-NZ 2.64Å; E308-K311 PolarHBondContact OE2-NZ 3.24Å; E308-M313 HydrophobicContact CB-CE 4.35Å; E308-M313 WeakPolarHBondContact O-CB 3.32Å; E308-M313 WeakPolarHBondContact OE2-CE 2.98Å
309	R	98.4	Very high	97.7	Very high	41 Å²	41	26.2 Å²	26.2	16%	0.155	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	145.8	-177.5	173.8	170.9	62.3	83.4	-5.3	110.8	E228 G281 P287 Y288 W289 I307	E228-R309 WeakPolarHBondContact OE1-CA 3.4Å; E228-R309 WeakPolarHBondContact OE1-CG 3.06Å; G281-R309 PolarHBondContact O-NH2 3.38Å; P287-R309 HydrophobicContact CB-CB 4.12Å; P287-R309 PolarHBondContact O-N 3.14Å; Y288-R309 PolarHBondContact O-NE 2.64Å; W289-R309 HydrophobicContact CD2-CB 4.49Å; W289-R309 HydrophobicContact CD2-CG 4.28Å; W289-R309 VanDerWaalsContact CE2-CD 3.4Å; W289-R309 HydrophobicContact CG-CB 4.18Å; W289-R309 HydrophobicContact CG-CG 4.46Å; W289-R309 HydrophobicContact CZ2-CG 3.93Å; I307-R309 PolarHBondContact O-N 3.17Å
310	G	97.2	Very high	97.6	Very high	60 Å²	60	26.3 Å²	26.3	62%	0.619	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.8	13.2	177.3	0	0	0	0	0	114	E228	E228-G310 PolarHBondContact OE1-N 2.97Å; E228-G310 VanDerWaalsContact OE2-CA 3.28Å; E228-G310 WeakPolarHBondContact OE2-CA 3.41Å; E228-G310 PolarHBondContact OE2-N 3.32Å; E228-G310 VanDerWaalsContact OE2-N 3.17Å
311	K	97.6	Very high	97.6	Very high	118 Å²	118	26 Å²	26	51%	0.513	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	4	-179.5	-65.4	-162.3	-171.2	159.7	0	113.9	E228 E308 M313	E228-K311 PolarHBondContact OE2-N 2.99Å; E228-K311 VanDerWaalsContact OE2-N 3.09Å; E308-K311 VanDerWaalsContact CD-CE 3.43Å; E308-K311 HydrophobicContact CG-CD 4.43Å; E308-K311 WeakPolarHBondContact OE1-CE 3.16Å; E308-K311 IonicContact OE1-NZ 3.27Å; E308-K311 PolarHBondContact OE1-NZ 2.76Å; E308-K311 VanDerWaalsContact OE2-CD 3.28Å; E308-K311 WeakPolarHBondContact OE2-CD 3.36Å; E308-K311 WeakPolarHBondContact OE2-CE 3.02Å; E308-K311 IonicContact OE2-NZ 2.64Å; E308-K311 PolarHBondContact OE2-NZ 3.24Å; K311-M313 HydrophobicContact CD-CE 4.49Å; K311-M313 PolarHBondContact O-N 3.28Å
312	N	97.9	Very high	97.6	Very high	23 Å²	23	23.6 Å²	23.6	12%	0.123	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	42.9	-166.9	-176.8	34.9	0	0	0	110.9	Y226 E228 N266 C314 G315 L316 A317	Y226-N312 VanDerWaalsContact CD1-ND2 3.31Å; Y226-N312 WeakPolarHBondContact CD1-ND2 3.1Å; E228-N312 PolarHBondContact OE2-N 2.95Å; N266-N312 PolarHBondContact O-ND2 3.46Å; N266-N312 VanDerWaalsContact O-ND2 3.14Å; N266-N312 PolarHBondContact OD1-O 3.35Å; N266-N312 VanDerWaalsContact OD1-O 3.04Å; N312-C314 PolarHBondContact O-N 2.96Å; N312-G315 PolarHBondContact O-N 3.17Å; N312-G315 VanDerWaalsContact OD1-CA 3.3Å; N312-G315 WeakPolarHBondContact OD1-CA 3.01Å; N312-L316 PolarHBondContact OD1-N 3.19Å; N312-A317 HydrophobicContact CB-CB 4.46Å; N312-A317 WeakPolarHBondContact OD1-CA 3.27Å; N312-A317 WeakPolarHBondContact OD1-CB 3.4Å; N312-A317 PolarHBondContact OD1-N 2.66Å
313	M	98.6	Very high	97.6	Very high	14 Å²	14	17.5 Å²	17.5	7%	0.069	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-55.4	124.3	-173.3	-179.1	58.4	65.3	0	0	110	T260 S261 I307 E308 K311 G315 L316	T260-M313 HydrophobicContact CG2-CE 4.15Å; S261-M313 PolarHBondContact N-SD 3.19Å; I307-M313 HydrophobicContact CD1-CB 4.21Å; I307-M313 HydrophobicContact CD1-CG 3.85Å; I307-M313 HydrophobicContact CG1-CB 4.05Å; I307-M313 HydrophobicContact CG1-CG 3.71Å; E308-M313 HydrophobicContact CB-CE 4.35Å; E308-M313 WeakPolarHBondContact O-CB 3.32Å; E308-M313 WeakPolarHBondContact OE2-CE 2.98Å; K311-M313 HydrophobicContact CD-CE 4.49Å; K311-M313 PolarHBondContact O-N 3.28Å; M313-G315 PolarHBondContact O-N 2.96Å; M313-G315 VanDerWaalsContact O-N 3.11Å; M313-L316 HydrophobicContact CB-CD2 3.95Å; M313-L316 WeakPolarHBondContact O-CB 3.47Å; M313-L316 WeakPolarHBondContact O-CD2 3.49Å; M313-L316 WeakPolarHBondContact O-CG 3.47Å; M313-L316 PolarHBondContact O-N 3.41Å; M313-L316 VanDerWaalsContact O-N 3.13Å
314	C	98.3	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	54.4	27.3	-177	-50.8	0	0	0	0	114.4	F245 E246 C264 H265 N266 N312 L316	F245-C314 CarbonylContact C-O 3.51Å; F245-C314 VanDerWaalsContact CA-O 3.28Å; F245-C314 WeakPolarHBondContact CA-O 3.2Å; F245-C314 HydrophobicContact CB-CB 4.28Å; F245-C314 WeakPolarHBondContact CB-O 3.28Å; F245-C314 HydrophobicContact CD2-CB 3.95Å; E246-C314 PolarHBondContact N-O 3.26Å; E246-C314 WeakPolarHBondContact O-CB 3.49Å; C264-C314 HydrophobicContact CB-CB 3.56Å; C264-C314 WeakPolarHBondContact CB-SG 3.33Å; C264-C314 WeakPolarHBondContact SG-CA 3.49Å; C264-C314 WeakPolarHBondContact SG-CB 3.47Å; C264-C314 PolarHBondContact SG-N 2.82Å; C264-C314 VanDerWaalsContact SG-N 3.42Å; C264-C314 CovalentContact SG-SG 2.04Å; C264-C314 PolarHBondContact SG-SG 3.08Å; H265-C314 CarbonylContact O-C 3.59Å; H265-C314 VanDerWaalsContact O-CA 3.28Å; H265-C314 WeakPolarHBondContact O-CA 3.48Å; N266-C314 WeakPolarHBondContact OD1-CA 3.39Å; N266-C314 PolarHBondContact OD1-N 3.36Å; N312-C314 PolarHBondContact O-N 2.96Å; C314-L316 PolarHBondContact O-N 3.3Å
315	G	96.9	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	76	19.2	178.7	0	0	0	0	0	114.2	H265 N266 N312 M313 A317 A318	H265-G315 PolarHBondContact O-N 3.05Å; N266-G315 PolarHBondContact OD1-N 3.09Å; N312-G315 PolarHBondContact O-N 3.17Å; N312-G315 VanDerWaalsContact OD1-CA 3.3Å; N312-G315 WeakPolarHBondContact OD1-CA 3.01Å; M313-G315 PolarHBondContact O-N 2.96Å; M313-G315 VanDerWaalsContact O-N 3.11Å; G315-A317 PolarHBondContact O-N 3.45Å; G315-A318 WeakPolarHBondContact O-CB 3.39Å; G315-A318 PolarHBondContact O-N 3.32Å
316	L	98.2	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.7	-175.8	66.6	81.5	0	0	0	115.2	E228 M231 F243 A244 F245 I307 N312 M313 C314	E228-L316 HydrophobicContact CG-CD1 3.99Å; M231-L316 HydrophobicContact CE-CD1 4.08Å; M231-L316 HydrophobicContact SD-CD1 4.2Å; F243-L316 WeakPolarHBondContact CB-O 3.37Å; F243-L316 HydrophobicContact CD2-CB 3.69Å; F243-L316 WeakPolarHBondContact CD2-O 3.43Å; F243-L316 HydrophobicContact CE2-CB 3.58Å; F243-L316 HydrophobicContact CZ-CB 4.5Å; A244-L316 WeakPolarHBondContact O-CA 3.41Å; F245-L316 HydrophobicContact CB-CB 4.18Å; I307-L316 HydrophobicContact CD1-CD2 4.03Å; I307-L316 HydrophobicContact CG1-CD2 4.17Å; I307-L316 HydrophobicContact CG2-CD2 4.18Å; N312-L316 PolarHBondContact OD1-N 3.19Å; M313-L316 HydrophobicContact CB-CD2 3.95Å; M313-L316 WeakPolarHBondContact O-CB 3.47Å; M313-L316 WeakPolarHBondContact O-CD2 3.49Å; M313-L316 WeakPolarHBondContact O-CG 3.47Å; M313-L316 PolarHBondContact O-N 3.41Å; M313-L316 VanDerWaalsContact O-N 3.13Å; C314-L316 PolarHBondContact O-N 3.3Å
317	A	97	Very high	97.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	4.1	177.2	0	0	0	0	0	112.8	Y226 E228 M231 N312 G315	Y226-A317 WeakPolarHBondContact CA-O 3.46Å; Y226-A317 PolarHBondContact N-O 3.4Å; E228-A317 HydrophobicContact CB-CB 3.76Å; E228-A317 HydrophobicContact CG-CB 4.27Å; M231-A317 HydrophobicContact SD-CB 3.88Å; N312-A317 HydrophobicContact CB-CB 4.46Å; N312-A317 WeakPolarHBondContact OD1-CA 3.27Å; N312-A317 WeakPolarHBondContact OD1-CB 3.4Å; N312-A317 PolarHBondContact OD1-N 2.66Å; G315-A317 PolarHBondContact O-N 3.45Å
318	A	93.6	Very high	97	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	14%	0.138	C	C	.	.	S	Bend	trans	-65.9	-39.4	-177.2	0	0	0	0	0	112.6	A225 Y226 T268 V271 G315	A225-A318 WeakPolarHBondContact CB-O 3.21Å; Y226-A318 HydrophobicContact CE1-CB 4.11Å; T268-A318 HydrophobicContact CG2-CB 3.77Å; V271-A318 HydrophobicContact CG1-CB 4.21Å; G315-A318 WeakPolarHBondContact O-CB 3.39Å; G315-A318 PolarHBondContact O-N 3.32Å
319	C	91.5	Very high	96.9	Very high	21 Å²	21	23.8 Å²	23.8	14%	0.142	14%	0.141	C	C	.	.	S	Bend	trans	-151.9	100.3	177.7	30.5	0	0	0	0	110.5	C94 F243 A244	C94-C319 HydrophobicContact CB-CB 3.41Å; C94-C319 VanDerWaalsContact CB-CB 3.41Å; C94-C319 WeakPolarHBondContact CB-SG 3.36Å; C94-C319 WeakPolarHBondContact SG-CB 3.39Å; C94-C319 CovalentContact SG-SG 2.03Å; C94-C319 PolarHBondContact SG-SG 2.78Å; F243-C319 WeakPolarHBondContact CA-O 3.36Å; A244-C319 PolarHBondContact N-O 3.03Å
320	S	96.9	Very high	96.8	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.7	175.6	54.3	0	0	0	0	111.1	I223 M231 S242	I223-S320 WeakPolarHBondContact CB-OG 3.31Å; I223-S320 PolarHBondContact N-O 3Å; M231-S320 VanDerWaalsContact CG-OG 3.25Å; M231-S320 WeakPolarHBondContact CG-OG 3.33Å; M231-S320 PolarHBondContact SD-OG 3.18Å; S242-S320 CarbonylContact O-C 3.41Å; S242-S320 WeakPolarHBondContact O-CA 3.47Å; S242-S320 WeakPolarHBondContact O-CB 3.5Å
321	S	97.6	Very high	96.8	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.028	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.8	-175.7	60.9	0	0	0	0	111.6	S179 R221 S242	S179-S321 PolarHBondContact N-OG 2.97Å; R221-S321 CarbonylContact O-C 3.37Å; R221-S321 WeakPolarHBondContact O-CA 3.46Å; R221-S321 WeakPolarHBondContact O-CB 3.39Å; S242-S321 WeakPolarHBondContact CB-O 3.39Å; S242-S321 PolarHBondContact N-O 3.15Å; S242-S321 PolarHBondContact O-N 2.84Å
322	F	98.3	Very high	96.7	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.031	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	153.5	172	63.9	-87.6	0	0	0	110.1	Y101 R221 I223 A234 R238 N239 V241	Y101-F322 AromaticContact CD2-CE1 3.73Å; Y101-F322 HydrophobicContact CD2-CE1 3.73Å; Y101-F322 AromaticContact CD2-CZ 3.52Å; Y101-F322 HydrophobicContact CD2-CZ 3.52Å; Y101-F322 AromaticContact CE2-CE1 3.95Å; Y101-F322 HydrophobicContact CE2-CE1 3.95Å; Y101-F322 AromaticContact CE2-CZ 3.55Å; Y101-F322 HydrophobicContact CE2-CZ 3.55Å; Y101-F322 HydrophobicContact CG-CE1 4.14Å; Y101-F322 HydrophobicContact CG-CZ 4.38Å; R221-F322 HydrophobicContact CB-CD1 4.13Å; R221-F322 HydrophobicContact CB-CD2 4.16Å; R221-F322 HydrophobicContact CB-CE1 3.72Å; R221-F322 HydrophobicContact CB-CE2 3.76Å; R221-F322 HydrophobicContact CB-CG 4.34Å; R221-F322 HydrophobicContact CB-CZ 3.52Å; R221-F322 HydrophobicContact CG-CE2 3.86Å; R221-F322 HydrophobicContact CG-CZ 3.89Å; R221-F322 PolarHBondContact N-O 2.97Å; R221-F322 PolarHBondContact O-N 3.23Å; I223-F322 HydrophobicContact CD1-CD1 4.46Å; I223-F322 HydrophobicContact CD1-CE1 4.48Å; I223-F322 HydrophobicContact CG1-CE1 4.44Å; A234-F322 HydrophobicContact CB-CD1 4.26Å; A234-F322 HydrophobicContact CB-CE1 3.81Å; A234-F322 HydrophobicContact CB-CZ 4.49Å; R238-F322 HydrophobicContact CG-CZ 4.46Å; N239-F322 WeakPolarHBondContact OD1-CB 3.42Å; N239-F322 WeakPolarHBondContact OD1-CD2 3.3Å; V241-F322 HydrophobicContact CG2-CD1 4.19Å
323	P	98.1	Very high	96.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	159.8	176.4	34.7	-31.5	0	0	0	111.4	C141 L142 V145 F182 V217	C141-P323 WeakPolarHBondContact SG-CD 3.25Å; L142-P323 HydrophobicContact CB-CG 4.29Å; L142-P323 HydrophobicContact CD1-CB 4.35Å; L142-P323 HydrophobicContact CD1-CG 3.98Å; V145-P323 HydrophobicContact CB-CG 4.47Å; V145-P323 HydrophobicContact CG2-CG 4.06Å; F182-P323 HydrophobicContact CD1-CB 3.86Å; F182-P323 HydrophobicContact CD1-CG 3.9Å; F182-P323 HydrophobicContact CE1-CB 4.18Å; F182-P323 HydrophobicContact CE1-CG 3.69Å; F182-P323 HydrophobicContact CG-CB 4.11Å; F182-P323 HydrophobicContact CG-CG 4.48Å; F182-P323 HydrophobicContact CZ-CG 4.12Å; V217-P323 HydrophobicContact CB-CB 4.5Å; V217-P323 HydrophobicContact CG1-CB 3.95Å; V217-P323 HydrophobicContact CG2-CB 3.83Å
324	V	97.1	Very high	96.5	Very high	44 Å²	44	12.3 Å²	12.3	27%	0.267	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	161.4	-175.1	0	0	0	0	107.6	K218 E219 R221	K218-V324 WeakPolarHBondContact CB-O 3.22Å; K218-V324 PolarHBondContact N-O 3.03Å; E219-V324 HydrophobicContact CB-CB 4.14Å; E219-V324 HydrophobicContact CB-CG2 4.28Å; E219-V324 PolarHBondContact N-O 2.99Å; E219-V324 PolarHBondContact O-N 3.42Å; R221-V324 HydrophobicContact CG-CG2 3.83Å
325	V	94.1	Very high	96.3	Very high	67 Å²	67	13.5 Å²	13.5	41%	0.406	8%	0.083	S	C	.	.			trans	-105	0	173.6	-51	0	0	0	0	110.8	L142 V145 F216	L142-V325 HydrophobicContact CD1-CG1 3.52Å; V145-V325 HydrophobicContact CB-CG1 4.27Å; V145-V325 HydrophobicContact CG1-CB 4.36Å; V145-V325 HydrophobicContact CG1-CG1 3.82Å; V145-V325 HydrophobicContact CG1-CG2 3.86Å; F216-V325 WeakPolarHBondContact O-CG1 2.93Å

Retrieved 325 of 325 residues in 185 ms (Link to these results)

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