A0A060YG37_ONCMY Loading...

ADP-ribosylation factor-like 8

AlphaFold DB (A0A1S3Q8B4), UniProt , Accession A0A060YG37, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene arl8, Length 179 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	43.2	Very low	46.7	Very low	205 Å²	205	126.4 Å²	126.4	100%	1.01	65%	0.648	S	S	*	*				0	-31.6	0	-69.7	-63.4	-92.2	0	0	114
2	G	48.5	Very low	47	Very low	58 Å²	58	127.3 Å²	127.3	60%	0.598	64%	0.644	S	S	*	*	H	α-helix	trans	-76.8	-31.5	-172.9	0	0	0	0	0	118.3	A6	G2-A6 WeakPolarHBondContact O-CB 3.37Å; G2-A6 PolarHBondContact O-N 3.39Å
3	L	44.1	Very low	47.1	Very low	154 Å²	154	120 Å²	120	81%	0.806	61%	0.611	S	S	*	*	H	α-helix	trans	-78.7	-32.6	-175.7	-80.4	156.3	0	0	0	114	K7	L3-K7 WeakPolarHBondContact O-CB 3.26Å; L3-K7 PolarHBondContact O-N 2.86Å
4	I	51.7	Low	47.6	Very low	128 Å²	128	119.6 Å²	119.6	66%	0.656	61%	0.612	S	S	*	*	H	α-helix	trans	-73.8	-39.2	174.9	-62.9	171	0	0	0	109.4	K7 L8	I4-K7 PolarHBondContact O-N 2.96Å; I4-L8 HydrophobicContact CG2-CD1 3.62Å; I4-L8 WeakPolarHBondContact O-CB 3.46Å; I4-L8 WeakPolarHBondContact O-CD1 3.08Å; I4-L8 PolarHBondContact O-N 2.86Å
5	F	48.2	Very low	49.3	Very low	142 Å²	142	118.2 Å²	118.2	62%	0.623	60%	0.601	S	S	*	*	H	α-helix	trans	-63.2	-43.3	172.6	-124.3	-92.2	0	0	0	111.7	K7 L8 W9	F5-K7 PolarHBondContact O-N 3.15Å; F5-L8 PolarHBondContact O-N 3.36Å; F5-W9 WeakPolarHBondContact O-CB 3.36Å; F5-W9 PolarHBondContact O-N 2.94Å
6	A	48.9	Very low	51.6	Low	57 Å²	57	118.6 Å²	118.6	47%	0.471	60%	0.6	S	S	.	*	H	α-helix	trans	-66.7	-34.5	176.9	0	0	0	0	0	113.3	G2 S10	G2-A6 WeakPolarHBondContact O-CB 3.37Å; G2-A6 PolarHBondContact O-N 3.39Å; A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 3.26Å
7	K	42.1	Very low	54.1	Low	164 Å²	164	112.4 Å²	112.4	71%	0.713	57%	0.569	S	S	*	*	H	α-helix	trans	-73.6	-40.8	173.9	-96.1	-174.6	171.9	-177.5	0	113.2	L3 I4 F5 W9 F11	L3-K7 WeakPolarHBondContact O-CB 3.26Å; L3-K7 PolarHBondContact O-N 2.86Å; I4-K7 PolarHBondContact O-N 2.96Å; F5-K7 PolarHBondContact O-N 3.15Å; K7-W9 VanDerWaalsContact C-N 3.32Å; K7-F11 VanDerWaalsContact O-CB 3.28Å; K7-F11 WeakPolarHBondContact O-CB 3.43Å; K7-F11 PolarHBondContact O-N 3.48Å
8	L	49.9	Very low	56.5	Low	98 Å²	98	108.7 Å²	108.7	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-62.6	-44.7	170.5	-97.4	112.1	0	0	0	109.7	I4 F5 S10 F11 F12	I4-L8 HydrophobicContact CG2-CD1 3.62Å; I4-L8 WeakPolarHBondContact O-CB 3.46Å; I4-L8 WeakPolarHBondContact O-CD1 3.08Å; I4-L8 PolarHBondContact O-N 2.86Å; F5-L8 PolarHBondContact O-N 3.36Å; L8-S10 PolarHBondContact O-N 2.8Å; L8-F11 CarbonylContact O-C 3.58Å; L8-F11 WeakPolarHBondContact O-CB 3.44Å; L8-F11 PolarHBondContact O-N 2.77Å; L8-F11 VanDerWaalsContact O-N 3.15Å; L8-F12 HydrophobicContact CD2-CE2 4.31Å; L8-F12 VanDerWaalsContact O-CD2 3.26Å; L8-F12 WeakPolarHBondContact O-CD2 3.5Å; L8-F12 PolarHBondContact O-N 3.47Å
9	W	48	Very low	58.7	Low	169 Å²	169	103 Å²	103	64%	0.64	52%	0.519	S	S	*	.	H	α-helix	trans	-63.2	-41.7	177.5	-161.6	-93.6	0	0	0	112.3	F5 K7 F11 F12 C13	F5-W9 WeakPolarHBondContact O-CB 3.36Å; F5-W9 PolarHBondContact O-N 2.94Å; K7-W9 VanDerWaalsContact C-N 3.32Å; W9-F11 VanDerWaalsContact C-N 3.3Å; W9-F11 PolarHBondContact O-N 3.5Å; W9-F12 CarbonylContact O-C 3.55Å; W9-F12 PolarHBondContact O-N 3.28Å; W9-C13 PolarHBondContact NE1-SG 3.05Å; W9-C13 VanDerWaalsContact NE1-SG 3.36Å; W9-C13 VanDerWaalsContact O-CB 3.23Å; W9-C13 WeakPolarHBondContact O-CB 3.46Å; W9-C13 PolarHBondContact O-N 2.77Å; W9-C13 PolarHBondContact O-SG 3.2Å
10	S	43.4	Very low	60.6	Low	58 Å²	58	97.9 Å²	97.9	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-71.4	-24.8	174.7	97.5	0	0	0	0	112.9	A6 L8 N14	A6-S10 WeakPolarHBondContact O-CB 3.33Å; A6-S10 PolarHBondContact O-N 3.26Å; L8-S10 PolarHBondContact O-N 2.8Å; S10-N14 WeakPolarHBondContact O-CB 3.49Å; S10-N14 PolarHBondContact O-N 3.35Å
11	F	46.1	Very low	62.5	Low	157 Å²	157	93.2 Å²	93.2	69%	0.689	47%	0.47	S	S	*	.	H	α-helix	trans	-74.7	-31	170.8	-160.9	-94.9	0	0	0	111.7	K7 L8 W9	K7-F11 VanDerWaalsContact O-CB 3.28Å; K7-F11 WeakPolarHBondContact O-CB 3.43Å; K7-F11 PolarHBondContact O-N 3.48Å; L8-F11 CarbonylContact O-C 3.58Å; L8-F11 WeakPolarHBondContact O-CB 3.44Å; L8-F11 PolarHBondContact O-N 2.77Å; L8-F11 VanDerWaalsContact O-N 3.15Å; W9-F11 VanDerWaalsContact C-N 3.3Å; W9-F11 PolarHBondContact O-N 3.5Å
12	F	49.6	Very low	65.1	Low	137 Å²	137	83.4 Å²	83.4	60%	0.601	42%	0.422	S	S	*	.	H	α-helix	trans	-80.2	-24.2	171.6	-89	-83.6	0	0	0	113.4	L8 W9	L8-F12 HydrophobicContact CD2-CE2 4.31Å; L8-F12 VanDerWaalsContact O-CD2 3.26Å; L8-F12 WeakPolarHBondContact O-CD2 3.5Å; L8-F12 PolarHBondContact O-N 3.47Å; W9-F12 CarbonylContact O-C 3.55Å; W9-F12 PolarHBondContact O-N 3.28Å
13	C	48	Very low	67.4	Low	33 Å²	33	80.7 Å²	80.7	22%	0.223	39%	0.394	C	S	.	.	H	α-helix	trans	-96.4	-9	-176.2	-71.6	0	0	0	0	115.3	W9	W9-C13 PolarHBondContact NE1-SG 3.05Å; W9-C13 VanDerWaalsContact NE1-SG 3.36Å; W9-C13 VanDerWaalsContact O-CB 3.23Å; W9-C13 WeakPolarHBondContact O-CB 3.46Å; W9-C13 PolarHBondContact O-N 2.77Å; W9-C13 PolarHBondContact O-SG 3.2Å
14	N	54.3	Low	70	Confident	115 Å²	115	73.8 Å²	73.8	62%	0.615	36%	0.357	S	S	*	.			trans	-114.7	25.2	-176.8	-75.3	9.8	0	0	0	113.9	S10 E16	S10-N14 WeakPolarHBondContact O-CB 3.49Å; S10-N14 PolarHBondContact O-N 3.35Å; N14-E16 PolarHBondContact O-N 3.21Å
15	Q	72.9	Confident	72	Confident	98 Å²	98	69.8 Å²	69.8	46%	0.458	34%	0.338	S	S	.	.			trans	-80.7	115.3	167.7	-79	-169.4	-15.1	0	0	109.5	H17	Q15-H17 PolarHBondContact O-CD2 3.3Å
16	E	87.1	Confident	74.3	Confident	125 Å²	125	68.4 Å²	68.4	58%	0.584	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.2	168.2	-67	172.2	-165.9	0	0	109.2	N14 H61	N14-E16 PolarHBondContact O-N 3.21Å; E16-H61 HydrophobicContact CG-CB 4.29Å
17	H	93.9	Very high	76.6	Confident	13 Å²	13	65.8 Å²	65.8	6%	0.06	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117	176.3	-63.1	-82.2	0	0	0	109.5	Q15 V19 T60 H61 F62 L63 E85 F86	Q15-H17 PolarHBondContact O-CD2 3.3Å; H17-V19 PolarHBondContact O-N 3.45Å; H17-T60 VanDerWaalsContact CD2-CG2 3.44Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.23Å; H17-H61 PolarHBondContact N-O 3.14Å; H17-F62 HydrophobicContact CB-CD1 3.74Å; H17-F62 HydrophobicContact CB-CE1 4.03Å; H17-F62 WeakPolarHBondContact O-CA 3.28Å; H17-L63 PolarHBondContact O-N 3.31Å; H17-E85 IonicContact CE1-OE2 3.64Å; H17-E85 IonicContact CG-OE2 3.23Å; H17-E85 IonicContact ND1-OE1 3.96Å; H17-E85 IonicContact ND1-OE2 2.77Å; H17-E85 PolarHBondContact ND1-OE2 3.23Å; H17-F86 HydrophobicContact CB-CD2 4.25Å; H17-F86 HydrophobicContact CB-CE2 4.11Å
18	K	96.4	Very high	79.2	Confident	46 Å²	46	58.6 Å²	58.6	20%	0.2	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.1	175.4	-178.3	175.1	173.2	-178	0	110.7	Y80 S82 N83 E85 F86	K18-Y80 WeakPolarHBondContact CE-O 3.22Å; K18-Y80 PolarHBondContact NZ-O 3.01Å; K18-S82 PolarHBondContact NZ-O 2.86Å; K18-N83 WeakPolarHBondContact CB-O 3.36Å; K18-E85 PolarHBondContact O-N 3.29Å; K18-F86 PolarHBondContact O-N 2.94Å
19	V	98.2	Very high	81.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.6	178.3	-172	0	0	0	0	109.5	H17 F62 L63 M64 W65 F86 I88 M172	H17-V19 PolarHBondContact O-N 3.45Å; V19-F62 HydrophobicContact CG2-CB 3.97Å; V19-F62 HydrophobicContact CG2-CD1 3.6Å; V19-F62 HydrophobicContact CG2-CG 4.2Å; V19-L63 PolarHBondContact N-O 2.98Å; V19-M64 HydrophobicContact CB-CB 4.49Å; V19-M64 HydrophobicContact CB-CG 4.01Å; V19-M64 HydrophobicContact CG1-CG 4.42Å; V19-M64 HydrophobicContact CG2-CG 4.27Å; V19-M64 WeakPolarHBondContact O-CA 3.4Å; V19-W65 PolarHBondContact O-N 2.65Å; V19-F86 VanDerWaalsContact CA-O 3.32Å; V19-F86 WeakPolarHBondContact CA-O 3.15Å; V19-F86 HydrophobicContact CB-CB 4.42Å; V19-F86 HydrophobicContact CG1-CB 4.06Å; V19-F86 HydrophobicContact CG2-CB 4.07Å; V19-F86 HydrophobicContact CG2-CD2 4.37Å; V19-I88 HydrophobicContact CG1-CD1 3.76Å; V19-I88 HydrophobicContact CG1-CG1 3.75Å; V19-M172 HydrophobicContact CG1-CE 3.99Å; V19-M172 HydrophobicContact CG2-CE 3.8Å
20	I	98.4	Very high	83.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.6	166	67.4	-177.5	0	0	0	109.8	V22 W65 I67 Y81 T84 F86 I87 I88 M109 L115	I20-V22 HydrophobicContact CB-CG1 4.49Å; I20-V22 HydrophobicContact CD1-CG1 4.28Å; I20-V22 HydrophobicContact CG1-CG1 4.27Å; I20-W65 HydrophobicContact CG2-CB 4.41Å; I20-I67 HydrophobicContact CB-CD1 4.04Å; I20-I67 HydrophobicContact CG2-CD1 4.26Å; I20-Y81 HydrophobicContact CD1-CD1 3.74Å; I20-Y81 HydrophobicContact CD1-CE1 3.94Å; I20-T84 HydrophobicContact CB-CG2 4.41Å; I20-T84 HydrophobicContact CD1-CG2 4.1Å; I20-T84 HydrophobicContact CG1-CG2 3.88Å; I20-T84 HydrophobicContact CG2-CG2 4Å; I20-F86 PolarHBondContact N-O 2.82Å; I20-I87 HydrophobicContact CD1-CG1 4.12Å; I20-I87 HydrophobicContact CG1-CB 4.37Å; I20-I87 HydrophobicContact CG1-CG1 4.11Å; I20-I87 HydrophobicContact CG1-CG2 4.23Å; I20-I88 PolarHBondContact O-N 3.08Å; I20-M109 HydrophobicContact CD1-CE 3.83Å; I20-L115 HydrophobicContact CD1-CD2 4.33Å
21	I	98.5	Very high	86.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.4	172.4	-47.6	-179.6	0	0	0	107.6	K29 L33 M64 W65 I67 I88 V90	I21-K29 HydrophobicContact CG2-CB 3.8Å; I21-K29 HydrophobicContact CG2-CD 4.28Å; I21-K29 HydrophobicContact CG2-CG 3.99Å; I21-L33 HydrophobicContact CD1-CB 4.25Å; I21-L33 HydrophobicContact CD1-CD1 4.01Å; I21-M64 HydrophobicContact CD1-CB 4.12Å; I21-M64 HydrophobicContact CD1-SD 4.04Å; I21-M64 HydrophobicContact CG1-CB 4.48Å; I21-W65 PolarHBondContact N-O 2.91Å; I21-I67 PolarHBondContact O-N 2.89Å; I21-I67 VanDerWaalsContact O-N 3.14Å; I21-I88 WeakPolarHBondContact CA-O 3.2Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.31Å; I21-I88 HydrophobicContact CG2-CB 4.33Å; I21-I88 HydrophobicContact CG2-CG2 4.2Å; I21-V90 HydrophobicContact CG2-CG2 3.81Å
22	V	98.2	Very high	88.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	167.7	-174.8	-65.8	0	0	0	0	110.7	I20 I67 W77 I87 I88 L89 V90 M109	I20-V22 HydrophobicContact CB-CG1 4.49Å; I20-V22 HydrophobicContact CD1-CG1 4.28Å; I20-V22 HydrophobicContact CG1-CG1 4.27Å; V22-I67 HydrophobicContact CG1-CD1 3.95Å; V22-W77 HydrophobicContact CB-CD2 4.45Å; V22-W77 HydrophobicContact CB-CE3 4.21Å; V22-W77 HydrophobicContact CB-CH2 4.1Å; V22-W77 HydrophobicContact CB-CZ2 4.33Å; V22-W77 HydrophobicContact CB-CZ3 4.02Å; V22-W77 HydrophobicContact CG1-CD2 4.16Å; V22-W77 HydrophobicContact CG1-CE3 4.19Å; V22-I87 HydrophobicContact CG2-CG2 3.88Å; V22-I88 PolarHBondContact N-O 2.95Å; V22-L89 HydrophobicContact CG2-CD1 4.2Å; V22-L89 WeakPolarHBondContact O-CA 3.12Å; V22-V90 PolarHBondContact O-N 3.23Å; V22-M109 HydrophobicContact CB-SD 4.29Å; V22-M109 HydrophobicContact CG1-CE 4.35Å; V22-M109 HydrophobicContact CG1-SD 4.33Å; V22-M109 HydrophobicContact CG2-CE 3.75Å; V22-M109 HydrophobicContact CG2-SD 3.81Å
23	G	97.9	Very high	90.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	16%	0.164	C	C	.	.			trans	137.4	164	-172.9	0	0	0	0	0	110.8	K29 G69	G23-K29 WeakPolarHBondContact O-CE 3.47Å; G23-K29 PolarHBondContact O-NZ 3.24Å; G23-G69 WeakPolarHBondContact O-CA 3.46Å
24	L	97.6	Very high	92.9	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.042	16%	0.164	C	C	.	.			trans	-62.2	161.5	-175.7	-50.1	-175.4	0	0	0	111.8	A27 K29 R98 I101 S102	L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.46Å; L24-A27 PolarHBondContact O-N 3.4Å; L24-K29 PolarHBondContact O-NZ 3.04Å; L24-R98 HydrophobicContact CD1-CB 3.58Å; L24-R98 WeakPolarHBondContact CD1-O 3.31Å; L24-I101 HydrophobicContact CD1-CB 4.21Å; L24-I101 HydrophobicContact CD1-CG2 4.46Å; L24-I101 HydrophobicContact CD2-CB 4.35Å; L24-I101 HydrophobicContact CD2-CG2 3.79Å; L24-S102 WeakPolarHBondContact CD1-OG 3.38Å; L24-S102 WeakPolarHBondContact CG-OG 3.28Å
25	D	95	Very high	94.7	Very high	45 Å²	45	27.4 Å²	27.4	24%	0.241	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	145.9	166.6	54.5	-78.8	0	0	0	110.8	A27 G69 Q70 R74 R98	D25-A27 PolarHBondContact O-N 3.35Å; D25-A27 VanDerWaalsContact O-N 3.11Å; D25-G69 PolarHBondContact N-O 2.77Å; D25-G69 VanDerWaalsContact N-O 3.12Å; D25-Q70 HydrophobicContact CB-CG 4.17Å; D25-R74 IonicContact OD1-NH2 2.95Å; D25-R74 PolarHBondContact OD1-NH2 2.99Å; D25-R74 VanDerWaalsContact OD1-NH2 3.11Å; D25-R98 PolarHBondContact O-NH2 2.85Å; D25-R98 IonicContact OD1-NH1 3.99Å; D25-R98 PolarHBondContact OD1-NH1 2.86Å; D25-R98 IonicContact OD2-CZ 3.33Å; D25-R98 IonicContact OD2-NH1 3.79Å; D25-R98 PolarHBondContact OD2-NH1 3.13Å; D25-R98 IonicContact OD2-NH2 3.43Å
26	N	94.9	Very high	95.5	Very high	113 Å²	113	24.5 Å²	24.5	60%	0.604	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	3.8	-176.5	-162.4	37.3	0	0	0	116.5	G28 K126	N26-G28 PolarHBondContact O-N 3.12Å; N26-K126 WeakPolarHBondContact O-CE 3.37Å; N26-K126 PolarHBondContact O-NZ 3.22Å
27	A	97.6	Very high	95.5	Very high	2 Å²	2	22 Å²	22	2%	0.017	11%	0.113	C	C	.	.	S	Bend	trans	-67	-18.4	177.5	0	0	0	0	0	114.5	L24 D25 V90 N125	L24-A27 VanDerWaalsContact O-CB 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.46Å; L24-A27 PolarHBondContact O-N 3.4Å; D25-A27 PolarHBondContact O-N 3.35Å; D25-A27 VanDerWaalsContact O-N 3.11Å; A27-V90 HydrophobicContact CB-CB 4.32Å; A27-V90 HydrophobicContact CB-CG1 4.07Å; A27-V90 WeakPolarHBondContact CB-O 3.49Å; A27-V90 VanDerWaalsContact O-CG1 3.28Å; A27-V90 WeakPolarHBondContact O-CG1 3.49Å; A27-N125 PolarHBondContact O-ND2 2.79Å
28	G	97.1	Very high	95.1	Very high	13 Å²	13	25.8 Å²	25.8	13%	0.134	13%	0.132	C	C	.	.	S	Bend	trans	99.1	21.3	179	0	0	0	0	0	115.4	N26 T31 I32	N26-G28 PolarHBondContact O-N 3.12Å; G28-T31 PolarHBondContact O-N 3.37Å; G28-I32 WeakPolarHBondContact O-CG1 3.19Å; G28-I32 PolarHBondContact O-N 2.94Å
29	K	97.3	Very high	94.2	Very high	11 Å²	11	29.9 Å²	29.9	5%	0.048	16%	0.156	C	C	.	.	H	α-helix	trans	-55.7	-55.2	-180	-60.2	-176.1	-62	-68.5	0	113.3	I21 G23 L24 T31 I32 L33 D66 I67 V90	I21-K29 HydrophobicContact CG2-CB 3.8Å; I21-K29 HydrophobicContact CG2-CD 4.28Å; I21-K29 HydrophobicContact CG2-CG 3.99Å; G23-K29 WeakPolarHBondContact O-CE 3.47Å; G23-K29 PolarHBondContact O-NZ 3.24Å; L24-K29 PolarHBondContact O-NZ 3.04Å; K29-T31 VanDerWaalsContact C-N 3.31Å; K29-T31 PolarHBondContact O-N 3.45Å; K29-I32 WeakPolarHBondContact O-CB 3.44Å; K29-I32 PolarHBondContact O-N 2.83Å; K29-L33 PolarHBondContact O-N 3.12Å; K29-D66 WeakPolarHBondContact CB-OD1 3.4Å; K29-I67 WeakPolarHBondContact CE-O 3.19Å; K29-V90 HydrophobicContact CB-CG2 4.43Å; K29-V90 HydrophobicContact CG-CB 3.83Å; K29-V90 HydrophobicContact CG-CG2 3.82Å
30	T	95.1	Very high	92.9	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.11	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-37	-179.8	-39.5	0	0	0	0	111.7	L33 Y34 T44 T47 D66	T30-L33 PolarHBondContact O-N 2.97Å; T30-Y34 HydrophobicContact CG2-CD2 3.84Å; T30-Y34 HydrophobicContact CG2-CE2 3.6Å; T30-Y34 VanDerWaalsContact O-CD2 3.28Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 2.83Å; T30-T44 HydrophobicContact CG2-CG2 3.7Å; T30-T47 PolarHBondContact OG1-OG1 3.32Å; T30-D66 WeakPolarHBondContact CB-OD2 3.38Å; T30-D66 PolarHBondContact OG1-OD2 2.95Å
31	T	95.9	Very high	91.4	Very high	17 Å²	17	39.6 Å²	39.6	10%	0.104	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-43.6	174	-45.5	0	0	0	0	111.4	G28 K29 Y34 Q35 A159 L160	G28-T31 PolarHBondContact O-N 3.37Å; K29-T31 VanDerWaalsContact C-N 3.31Å; K29-T31 PolarHBondContact O-N 3.45Å; T31-Y34 PolarHBondContact O-N 3.13Å; T31-Q35 VanDerWaalsContact O-CB 3.26Å; T31-Q35 WeakPolarHBondContact O-CB 3.39Å; T31-Q35 PolarHBondContact O-N 3.29Å; T31-A159 HydrophobicContact CG2-CB 3.78Å; T31-L160 HydrophobicContact CG2-CD2 4.07Å
32	I	96.6	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-44.6	174.9	-71.8	174.1	0	0	0	111	G28 K29 Y34 Q35 F36 V90 F123 A159 L165	G28-I32 WeakPolarHBondContact O-CG1 3.19Å; G28-I32 PolarHBondContact O-N 2.94Å; K29-I32 WeakPolarHBondContact O-CB 3.44Å; K29-I32 PolarHBondContact O-N 2.83Å; I32-Y34 PolarHBondContact O-N 2.95Å; I32-Q35 PolarHBondContact O-N 2.77Å; I32-F36 HydrophobicContact CG2-CD2 3.95Å; I32-F36 HydrophobicContact CG2-CE2 3.35Å; I32-F36 HydrophobicContact CG2-CZ 3.71Å; I32-F36 WeakPolarHBondContact O-CD2 3.4Å; I32-F36 WeakPolarHBondContact O-CG 3.43Å; I32-F36 PolarHBondContact O-N 3.32Å; I32-V90 HydrophobicContact CD1-CG1 3.72Å; I32-V90 HydrophobicContact CD1-CG2 3.91Å; I32-F123 HydrophobicContact CD1-CB 4.17Å; I32-F123 HydrophobicContact CD1-CD2 4Å; I32-F123 HydrophobicContact CD1-CG 4.22Å; I32-F123 HydrophobicContact CG2-CD2 4.46Å; I32-F123 HydrophobicContact CG2-CE2 4.29Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.57Å; I32-L165 HydrophobicContact CD1-CD2 4.12Å; I32-L165 HydrophobicContact CG1-CD1 4.44Å; I32-L165 HydrophobicContact CG1-CD2 3.97Å; I32-L165 HydrophobicContact CG2-CD1 4.42Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å
33	L	94.9	Very high	89.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-48.3	178.2	-176.5	63.5	0	0	0	111.7	I21 K29 T30 F36 L37 E53 I55 M64 D66	I21-L33 HydrophobicContact CD1-CB 4.25Å; I21-L33 HydrophobicContact CD1-CD1 4.01Å; K29-L33 PolarHBondContact O-N 3.12Å; T30-L33 PolarHBondContact O-N 2.97Å; L33-F36 WeakPolarHBondContact O-CB 3.08Å; L33-F36 PolarHBondContact O-N 3.44Å; L33-L37 PolarHBondContact O-N 3.36Å; L33-L37 VanDerWaalsContact O-N 3.13Å; L33-E53 HydrophobicContact CD1-CB 4.09Å; L33-E53 HydrophobicContact CD1-CG 4.43Å; L33-E53 HydrophobicContact CD2-CB 4.31Å; L33-E53 HydrophobicContact CD2-CG 3.83Å; L33-E53 HydrophobicContact CG-CB 4.37Å; L33-E53 HydrophobicContact CG-CG 4.17Å; L33-I55 HydrophobicContact CD1-CD1 4.37Å; L33-I55 HydrophobicContact CD1-CG1 4.27Å; L33-M64 HydrophobicContact CD1-CB 3.78Å; L33-M64 HydrophobicContact CD1-CG 4.45Å; L33-M64 HydrophobicContact CD1-SD 4.05Å; L33-D66 HydrophobicContact CD2-CB 3.78Å
34	Y	92.3	Very high	88.3	Confident	53 Å²	53	52.9 Å²	52.9	21%	0.208	27%	0.274	C	S	.	.	H	α-helix	trans	-69.7	-32.5	177.6	-77.1	-60.3	0	0	0	113	T30 T31 I32 F36 L37 M38 V42 T44	T30-Y34 HydrophobicContact CG2-CD2 3.84Å; T30-Y34 HydrophobicContact CG2-CE2 3.6Å; T30-Y34 VanDerWaalsContact O-CD2 3.28Å; T30-Y34 WeakPolarHBondContact O-CD2 3.36Å; T30-Y34 PolarHBondContact O-N 2.83Å; T31-Y34 PolarHBondContact O-N 3.13Å; I32-Y34 PolarHBondContact O-N 2.95Å; Y34-F36 VanDerWaalsContact C-N 3.26Å; Y34-F36 PolarHBondContact O-N 2.75Å; Y34-L37 HydrophobicContact CD1-CD2 4.25Å; Y34-L37 HydrophobicContact CE1-CD2 4.37Å; Y34-L37 PolarHBondContact O-N 3.19Å; Y34-L37 VanDerWaalsContact O-N 3.14Å; Y34-M38 HydrophobicContact CD1-CE 3.92Å; Y34-M38 HydrophobicContact CD1-SD 4.18Å; Y34-M38 HydrophobicContact CE1-CE 4.07Å; Y34-M38 PolarHBondContact O-N 3.47Å; Y34-V42 HydrophobicContact CD1-CG2 4.43Å; Y34-V42 HydrophobicContact CD2-CB 4.22Å; Y34-V42 HydrophobicContact CD2-CG1 4.37Å; Y34-V42 HydrophobicContact CG-CB 4.16Å; Y34-V42 HydrophobicContact CG-CG2 4.08Å; Y34-T44 HydrophobicContact CD2-CG2 3.86Å; Y34-T44 HydrophobicContact CE2-CG2 4.11Å
35	Q	93.6	Very high	87.4	Confident	13 Å²	13	57.4 Å²	57.4	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-37	173.6	-167.8	64.6	30.9	0	0	110.9	T31 I32 N39 E40 A159 L165	T31-Q35 VanDerWaalsContact O-CB 3.26Å; T31-Q35 WeakPolarHBondContact O-CB 3.39Å; T31-Q35 PolarHBondContact O-N 3.29Å; I32-Q35 PolarHBondContact O-N 2.77Å; Q35-N39 VanDerWaalsContact O-CA 3.32Å; Q35-N39 WeakPolarHBondContact O-CA 3.23Å; Q35-N39 PolarHBondContact O-N 2.99Å; Q35-N39 VanDerWaalsContact O-N 3.13Å; Q35-E40 PolarHBondContact OE1-O 2.89Å; Q35-A159 PolarHBondContact OE1-O 2.98Å; Q35-L165 HydrophobicContact CB-CD1 3.86Å; Q35-L165 HydrophobicContact CG-CD1 3.58Å
36	F	89.7	Confident	86.7	Confident	37 Å²	37	59.8 Å²	59.8	16%	0.162	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-38.7	172.2	-66.1	-39.5	0	0	0	113.4	I32 L33 Y34 I55 M64 F123 L165 L169	I32-F36 HydrophobicContact CG2-CD2 3.95Å; I32-F36 HydrophobicContact CG2-CE2 3.35Å; I32-F36 HydrophobicContact CG2-CZ 3.71Å; I32-F36 WeakPolarHBondContact O-CD2 3.4Å; I32-F36 WeakPolarHBondContact O-CG 3.43Å; I32-F36 PolarHBondContact O-N 3.32Å; L33-F36 WeakPolarHBondContact O-CB 3.08Å; L33-F36 PolarHBondContact O-N 3.44Å; Y34-F36 VanDerWaalsContact C-N 3.26Å; Y34-F36 PolarHBondContact O-N 2.75Å; F36-I55 HydrophobicContact CB-CD1 3.83Å; F36-I55 HydrophobicContact CB-CG1 4.1Å; F36-I55 HydrophobicContact CB-CG2 3.92Å; F36-I55 HydrophobicContact CG-CG2 4.49Å; F36-M64 HydrophobicContact CD2-CE 4.27Å; F36-M64 HydrophobicContact CD2-SD 4.01Å; F36-M64 HydrophobicContact CE2-CE 4.34Å; F36-M64 HydrophobicContact CE2-SD 4.29Å; F36-F123 HydrophobicContact CZ-CE2 4.02Å; F36-F123 HydrophobicContact CZ-CZ 4.12Å; F36-L165 HydrophobicContact CD1-CB 4.48Å; F36-L165 HydrophobicContact CE1-CB 3.63Å; F36-L165 HydrophobicContact CE1-CD1 4.22Å; F36-L165 HydrophobicContact CE1-CG 4.43Å; F36-L165 HydrophobicContact CZ-CB 4.23Å; F36-L169 HydrophobicContact CD1-CD1 3.38Å; F36-L169 HydrophobicContact CD1-CG 4.21Å; F36-L169 HydrophobicContact CE1-CD1 3.12Å; F36-L169 HydrophobicContact CE1-CD2 4.05Å; F36-L169 HydrophobicContact CE1-CG 3.48Å; F36-L169 VanDerWaalsContact CE1-CG 3.48Å; F36-L169 HydrophobicContact CE2-CD1 4.4Å; F36-L169 HydrophobicContact CE2-CD2 4.03Å; F36-L169 HydrophobicContact CE2-CG 4.36Å; F36-L169 HydrophobicContact CG-CD1 4.12Å; F36-L169 HydrophobicContact CZ-CD1 3.72Å; F36-L169 HydrophobicContact CZ-CD2 3.72Å; F36-L169 HydrophobicContact CZ-CG 3.58Å
37	L	87	Confident	86	Confident	71 Å²	71	55.7 Å²	55.7	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-77.2	-43.1	-174.2	-176.4	63.1	0	0	0	113	L33 Y34 E53 I55	L33-L37 PolarHBondContact O-N 3.36Å; L33-L37 VanDerWaalsContact O-N 3.13Å; Y34-L37 HydrophobicContact CD1-CD2 4.25Å; Y34-L37 HydrophobicContact CE1-CD2 4.37Å; Y34-L37 PolarHBondContact O-N 3.19Å; Y34-L37 VanDerWaalsContact O-N 3.14Å; L37-E53 HydrophobicContact CD2-CG 4.43Å; L37-I55 HydrophobicContact CB-CD1 3.98Å; L37-I55 HydrophobicContact CD1-CD1 4.22Å
38	M	84.5	Confident	85.2	Confident	94 Å²	94	62.6 Å²	62.6	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-115.1	-13.1	-166.3	-58.6	-177.4	177.4	0	0	113	Y34 E40 V42	Y34-M38 HydrophobicContact CD1-CE 3.92Å; Y34-M38 HydrophobicContact CD1-SD 4.18Å; Y34-M38 HydrophobicContact CE1-CE 4.07Å; Y34-M38 PolarHBondContact O-N 3.47Å; M38-E40 HydrophobicContact CB-CB 4.28Å; M38-E40 PolarHBondContact O-N 2.86Å; M38-E40 VanDerWaalsContact O-N 3.14Å; M38-V42 HydrophobicContact SD-CG2 3.96Å
39	N	78.4	Confident	84.8	Confident	132 Å²	132	63.5 Å²	63.5	71%	0.706	35%	0.348	S	S	*	.	S	Bend	trans	52.8	26.4	-168.8	-161.8	49.5	0	0	0	113	Q35	Q35-N39 VanDerWaalsContact O-CA 3.32Å; Q35-N39 WeakPolarHBondContact O-CA 3.23Å; Q35-N39 PolarHBondContact O-N 2.99Å; Q35-N39 VanDerWaalsContact O-N 3.13Å
40	E	69.7	Low	84.4	Confident	137 Å²	137	65 Å²	65	64%	0.64	36%	0.36	S	S	*	.	S	Bend	trans	-134	150.9	-179	-72.2	-172.6	175.1	0	0	110.2	Q35 M38 V42	Q35-E40 PolarHBondContact OE1-O 2.89Å; M38-E40 HydrophobicContact CB-CB 4.28Å; M38-E40 PolarHBondContact O-N 2.86Å; M38-E40 VanDerWaalsContact O-N 3.14Å; E40-V42 PolarHBondContact O-N 2.82Å
41	V	67.9	Low	84.1	Confident	66 Å²	66	66.6 Å²	66.6	40%	0.4	37%	0.368	S	S	.	.			trans	-79.6	114.9	177.5	-175.9	0	0	0	0	109.9	L160	V41-L160 HydrophobicContact CG1-CD2 3.58Å; V41-L160 HydrophobicContact CG2-CB 4.39Å; V41-L160 WeakPolarHBondContact CG2-O 3.46Å
42	V	73.3	Confident	84	Confident	47 Å²	47	68 Å²	68	29%	0.285	38%	0.376	S	S	.	.			trans	-99.5	125	170.1	-175.9	0	0	0	0	108.9	Y34 M38 E40 T44	Y34-V42 HydrophobicContact CD1-CG2 4.43Å; Y34-V42 HydrophobicContact CD2-CB 4.22Å; Y34-V42 HydrophobicContact CD2-CG1 4.37Å; Y34-V42 HydrophobicContact CG-CB 4.16Å; Y34-V42 HydrophobicContact CG-CG2 4.08Å; M38-V42 HydrophobicContact SD-CG2 3.96Å; E40-V42 PolarHBondContact O-N 2.82Å; V42-T44 HydrophobicContact CB-CG2 4.5Å; V42-T44 HydrophobicContact CG1-CG2 4.24Å; V42-T44 PolarHBondContact O-N 2.8Å
43	H	76	Confident	83.8	Confident	181 Å²	181	70.5 Å²	70.5	84%	0.838	39%	0.388	S	S	*	.			trans	-70.1	121.5	167.7	-75.2	-66.4	0	0	0	109.4
44	T	79.6	Confident	83.7	Confident	53 Å²	53	75 Å²	75	33%	0.325	41%	0.409	S	S	.	.			trans	-118.4	142	-174.1	57.1	0	0	0	0	111.5	T30 Y34 V42	T30-T44 HydrophobicContact CG2-CG2 3.7Å; Y34-T44 HydrophobicContact CD2-CG2 3.86Å; Y34-T44 HydrophobicContact CE2-CG2 4.11Å; V42-T44 HydrophobicContact CB-CG2 4.5Å; V42-T44 HydrophobicContact CG1-CG2 4.24Å; V42-T44 PolarHBondContact O-N 2.8Å
45	S	80.1	Confident	83.6	Confident	103 Å²	103	72.8 Å²	72.8	72%	0.72	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-84.3	161.6	164	-66.1	0	0	0	0	110.6	T47	S45-T47 PolarHBondContact O-N 2.87Å
46	P	78.8	Confident	83.4	Confident	95 Å²	95	75.9 Å²	75.9	62%	0.617	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-54.2	127.1	175	-26.3	35.1	0	0	0	112.6
47	T	80.4	Confident	83.2	Confident	26 Å²	26	75.2 Å²	75.2	16%	0.16	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-63.4	133.9	177.2	-47.8	0	0	0	0	111.4	T30 S45 D66 Q70	T30-T47 PolarHBondContact OG1-OG1 3.32Å; S45-T47 PolarHBondContact O-N 2.87Å; T47-D66 PolarHBondContact OG1-OD2 2.69Å; T47-D66 VanDerWaalsContact OG1-OD2 3.14Å; T47-Q70 PolarHBondContact O-NE2 3.17Å
48	I	81.4	Confident	83.1	Confident	147 Å²	147	78.9 Å²	78.9	75%	0.754	43%	0.432	S	S	*	.	S	Bend	trans	-103.4	120.4	169.5	-58.5	176.5	0	0	0	107.3	S50	I48-S50 PolarHBondContact O-N 3.27Å
49	G	88	Confident	83	Confident	32 Å²	32	80 Å²	80	33%	0.33	44%	0.44	S	S	.	.	S	Bend	trans	76.7	-119.6	-176.4	0	0	0	0	0	112.4	G68	G49-G68 PolarHBondContact O-N 2.98Å
50	S	89.3	Confident	83.4	Confident	44 Å²	44	74.9 Å²	74.9	31%	0.308	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.5	-179.6	59.2	0	0	0	0	113.3	I48 D66 Y80	I48-S50 PolarHBondContact O-N 3.27Å; S50-D66 CarbonylContact C-O 3.54Å; S50-D66 WeakPolarHBondContact CA-O 3.4Å; S50-Y80 WeakPolarHBondContact CB-OH 3.42Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.27Å; S50-Y80 PolarHBondContact OG-OH 2.88Å
51	N	89.5	Confident	84.4	Confident	50 Å²	50	70.6 Å²	70.6	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.9	164.8	-168.9	50	0	0	0	110.4	E53 W65 D66	N51-E53 WeakPolarHBondContact ND2-CG 3.08Å; N51-E53 PolarHBondContact ND2-OE1 3.21Å; N51-W65 CarbonylContact O-C 3.51Å; N51-W65 WeakPolarHBondContact O-CA 3.49Å; N51-D66 PolarHBondContact N-O 2.83Å; N51-D66 PolarHBondContact O-N 2.87Å
52	V	92.3	Very high	85.7	Confident	47 Å²	47	67.5 Å²	67.5	29%	0.285	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.3	177.3	-169.9	0	0	0	0	109.8	L63 M64 W65	V52-L63 HydrophobicContact CG1-CD1 3.53Å; V52-L63 HydrophobicContact CG1-CD2 4.48Å; V52-L63 HydrophobicContact CG1-CG 3.81Å; V52-M64 WeakPolarHBondContact CA-O 3.43Å; V52-W65 HydrophobicContact CB-CD2 4.47Å; V52-W65 HydrophobicContact CG1-CD2 4.27Å; V52-W65 HydrophobicContact CG1-CZ2 4.32Å; V52-W65 HydrophobicContact CG2-CD2 3.4Å; V52-W65 HydrophobicContact CG2-CE3 3.16Å; V52-W65 HydrophobicContact CG2-CG 4.12Å; V52-W65 HydrophobicContact CG2-CH2 3.66Å; V52-W65 HydrophobicContact CG2-CZ2 3.86Å; V52-W65 HydrophobicContact CG2-CZ3 3.3Å
53	E	93.2	Very high	86.8	Confident	53 Å²	53	67.7 Å²	67.7	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	150.9	174	-57.4	-66.6	168.4	0	0	110.4	L33 L37 N51 M64	L33-E53 HydrophobicContact CD1-CB 4.09Å; L33-E53 HydrophobicContact CD1-CG 4.43Å; L33-E53 HydrophobicContact CD2-CB 4.31Å; L33-E53 HydrophobicContact CD2-CG 3.83Å; L33-E53 HydrophobicContact CG-CB 4.37Å; L33-E53 HydrophobicContact CG-CG 4.17Å; L37-E53 HydrophobicContact CD2-CG 4.43Å; N51-E53 WeakPolarHBondContact ND2-CG 3.08Å; N51-E53 PolarHBondContact ND2-OE1 3.21Å; E53-M64 PolarHBondContact N-O 3.46Å; E53-M64 VanDerWaalsContact N-O 3.1Å; E53-M64 PolarHBondContact O-N 3.25Å
54	E	92.4	Very high	87.7	Confident	93 Å²	93	59 Å²	59	44%	0.435	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.6	171.6	-173.9	-176.2	-177.9	0	0	109.8	V56 H61 F62	E54-V56 HydrophobicContact CG-CG2 4.44Å; E54-H61 IonicContact OE1-CE1 3.82Å; E54-H61 IonicContact OE1-CG 2.69Å; E54-H61 IonicContact OE1-ND1 3.62Å; E54-H61 PolarHBondContact OE1-ND1 3.09Å; E54-F62 WeakPolarHBondContact CA-O 3.49Å
55	I	90.8	Very high	88.6	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.1	175.9	-54.6	-57.8	0	0	0	108.9	L33 F36 L37 V57 F62 M64	L33-I55 HydrophobicContact CD1-CD1 4.37Å; L33-I55 HydrophobicContact CD1-CG1 4.27Å; F36-I55 HydrophobicContact CB-CD1 3.83Å; F36-I55 HydrophobicContact CB-CG1 4.1Å; F36-I55 HydrophobicContact CB-CG2 3.92Å; F36-I55 HydrophobicContact CG-CG2 4.49Å; L37-I55 HydrophobicContact CB-CD1 3.98Å; L37-I55 HydrophobicContact CD1-CD1 4.22Å; I55-V57 HydrophobicContact CG2-CG2 4.06Å; I55-F62 PolarHBondContact N-O 3.34Å; I55-F62 PolarHBondContact O-N 3.13Å; I55-M64 HydrophobicContact CB-CE 3.92Å; I55-M64 HydrophobicContact CB-SD 4.25Å; I55-M64 HydrophobicContact CG1-CE 4.04Å; I55-M64 HydrophobicContact CG1-CG 4.12Å; I55-M64 HydrophobicContact CG1-SD 3.69Å; I55-M64 HydrophobicContact CG2-CE 4.22Å
56	V	88.8	Confident	89.3	Confident	78 Å²	78	54.8 Å²	54.8	47%	0.473	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116	178.1	-174.2	0	0	0	0	109.6	E54	E54-V56 HydrophobicContact CG-CG2 4.44Å
57	V	86.5	Confident	90	Very high	24 Å²	24	50.4 Å²	50.4	15%	0.145	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.4	175.7	-172.5	0	0	0	0	108.2	I55 N59 T60 F62 L169	I55-V57 HydrophobicContact CG2-CG2 4.06Å; V57-N59 PolarHBondContact O-N 3.46Å; V57-N59 VanDerWaalsContact O-N 3.12Å; V57-T60 PolarHBondContact N-O 3.31Å; V57-T60 PolarHBondContact O-N 3.45Å; V57-F62 HydrophobicContact CB-CD2 4.45Å; V57-F62 HydrophobicContact CB-CE2 4.07Å; V57-F62 HydrophobicContact CG2-CD2 3.98Å; V57-F62 HydrophobicContact CG2-CE2 3.95Å; V57-L169 HydrophobicContact CG1-CB 4.5Å; V57-L169 HydrophobicContact CG2-CB 4.38Å; V57-L169 HydrophobicContact CG2-CD1 3.72Å; V57-L169 HydrophobicContact CG2-CD2 4.41Å; V57-L169 HydrophobicContact CG2-CG 4.41Å
58	K	83.3	Confident	90.6	Very high	147 Å²	147	49.2 Å²	49.2	64%	0.639	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	-111.8	-170	-57.9	170.7	-178	167.7	0	109.4	E170	K58-E170 IonicContact NZ-OE1 4Å
59	N	84.1	Confident	91.1	Very high	118 Å²	118	42.3 Å²	42.3	63%	0.631	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.7	20.5	176.5	-61.9	-20.7	0	0	0	111.7	V57	V57-N59 PolarHBondContact O-N 3.46Å; V57-N59 VanDerWaalsContact O-N 3.12Å
60	T	86.4	Confident	91.3	Very high	25 Å²	25	43.6 Å²	43.6	15%	0.153	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.7	-179.6	-56.2	0	0	0	0	109.2	H17 V57 F62 A176	H17-T60 VanDerWaalsContact CD2-CG2 3.44Å; H17-T60 WeakPolarHBondContact CD2-CG2 3.23Å; V57-T60 PolarHBondContact N-O 3.31Å; V57-T60 PolarHBondContact O-N 3.45Å; T60-F62 HydrophobicContact CG2-CD2 4.31Å; T60-F62 HydrophobicContact CG2-CE1 4.03Å; T60-F62 HydrophobicContact CG2-CE2 3.68Å; T60-F62 HydrophobicContact CG2-CZ 3.52Å; T60-A176 HydrophobicContact CG2-CB 4.06Å
61	H	91.3	Very high	91.4	Very high	47 Å²	47	49 Å²	49	22%	0.218	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.6	-178.3	-67.5	-108.2	0	0	0	109.4	E16 H17 E54	E16-H61 HydrophobicContact CG-CB 4.29Å; H17-H61 PolarHBondContact N-O 3.14Å; E54-H61 IonicContact OE1-CE1 3.82Å; E54-H61 IonicContact OE1-CG 2.69Å; E54-H61 IonicContact OE1-ND1 3.62Å; E54-H61 PolarHBondContact OE1-ND1 3.09Å
62	F	94.1	Very high	91.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.8	175.9	-64.8	-76.2	0	0	0	109.9	H17 V19 E54 I55 V57 T60 M64 F86 M172	H17-F62 HydrophobicContact CB-CD1 3.74Å; H17-F62 HydrophobicContact CB-CE1 4.03Å; H17-F62 WeakPolarHBondContact O-CA 3.28Å; V19-F62 HydrophobicContact CG2-CB 3.97Å; V19-F62 HydrophobicContact CG2-CD1 3.6Å; V19-F62 HydrophobicContact CG2-CG 4.2Å; E54-F62 WeakPolarHBondContact CA-O 3.49Å; I55-F62 PolarHBondContact N-O 3.34Å; I55-F62 PolarHBondContact O-N 3.13Å; V57-F62 HydrophobicContact CB-CD2 4.45Å; V57-F62 HydrophobicContact CB-CE2 4.07Å; V57-F62 HydrophobicContact CG2-CD2 3.98Å; V57-F62 HydrophobicContact CG2-CE2 3.95Å; T60-F62 HydrophobicContact CG2-CD2 4.31Å; T60-F62 HydrophobicContact CG2-CE1 4.03Å; T60-F62 HydrophobicContact CG2-CE2 3.68Å; T60-F62 HydrophobicContact CG2-CZ 3.52Å; F62-M64 HydrophobicContact CB-CE 3.68Å; F62-M64 HydrophobicContact CB-CG 4.09Å; F62-M64 HydrophobicContact CD2-CE 4.4Å; F62-M64 HydrophobicContact CG-CE 4.11Å; F62-M64 PolarHBondContact O-N 3.05Å; F62-F86 HydrophobicContact CE1-CD2 4.16Å; F62-F86 HydrophobicContact CE1-CE2 4.03Å; F62-M172 HydrophobicContact CD1-CE 3.97Å; F62-M172 HydrophobicContact CE1-CB 4.31Å; F62-M172 HydrophobicContact CE1-CE 3.82Å; F62-M172 HydrophobicContact CZ-CB 4.11Å; F62-M172 HydrophobicContact CZ-CE 4.43Å
63	L	95.8	Very high	91.3	Very high	51 Å²	51	50.4 Å²	50.4	27%	0.267	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	100.9	171.5	-170.4	66.9	0	0	0	108.6	H17 V19 V52	H17-L63 PolarHBondContact O-N 3.31Å; V19-L63 PolarHBondContact N-O 2.98Å; V52-L63 HydrophobicContact CG1-CD1 3.53Å; V52-L63 HydrophobicContact CG1-CD2 4.48Å; V52-L63 HydrophobicContact CG1-CG 3.81Å
64	M	96.7	Very high	91.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.2	-169.9	-60	-164.2	178	0	0	111.9	V19 I21 L33 F36 V52 E53 I55 F62 L169	V19-M64 HydrophobicContact CB-CB 4.49Å; V19-M64 HydrophobicContact CB-CG 4.01Å; V19-M64 HydrophobicContact CG1-CG 4.42Å; V19-M64 HydrophobicContact CG2-CG 4.27Å; V19-M64 WeakPolarHBondContact O-CA 3.4Å; I21-M64 HydrophobicContact CD1-CB 4.12Å; I21-M64 HydrophobicContact CD1-SD 4.04Å; I21-M64 HydrophobicContact CG1-CB 4.48Å; L33-M64 HydrophobicContact CD1-CB 3.78Å; L33-M64 HydrophobicContact CD1-CG 4.45Å; L33-M64 HydrophobicContact CD1-SD 4.05Å; F36-M64 HydrophobicContact CD2-CE 4.27Å; F36-M64 HydrophobicContact CD2-SD 4.01Å; F36-M64 HydrophobicContact CE2-CE 4.34Å; F36-M64 HydrophobicContact CE2-SD 4.29Å; V52-M64 WeakPolarHBondContact CA-O 3.43Å; E53-M64 PolarHBondContact N-O 3.46Å; E53-M64 VanDerWaalsContact N-O 3.1Å; E53-M64 PolarHBondContact O-N 3.25Å; I55-M64 HydrophobicContact CB-CE 3.92Å; I55-M64 HydrophobicContact CB-SD 4.25Å; I55-M64 HydrophobicContact CG1-CE 4.04Å; I55-M64 HydrophobicContact CG1-CG 4.12Å; I55-M64 HydrophobicContact CG1-SD 3.69Å; I55-M64 HydrophobicContact CG2-CE 4.22Å; F62-M64 HydrophobicContact CB-CE 3.68Å; F62-M64 HydrophobicContact CB-CG 4.09Å; F62-M64 HydrophobicContact CD2-CE 4.4Å; F62-M64 HydrophobicContact CG-CE 4.11Å; F62-M64 PolarHBondContact O-N 3.05Å; M64-L169 HydrophobicContact CE-CD2 3.84Å
65	W	96.8	Very high	91.2	Very high	67 Å²	67	48.6 Å²	48.6	25%	0.254	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	104.8	175.2	-64.3	73.1	0	0	0	109.8	V19 I20 I21 N51 V52 I67 Y80	V19-W65 PolarHBondContact O-N 2.65Å; I20-W65 HydrophobicContact CG2-CB 4.41Å; I21-W65 PolarHBondContact N-O 2.91Å; N51-W65 CarbonylContact O-C 3.51Å; N51-W65 WeakPolarHBondContact O-CA 3.49Å; V52-W65 HydrophobicContact CB-CD2 4.47Å; V52-W65 HydrophobicContact CG1-CD2 4.27Å; V52-W65 HydrophobicContact CG1-CZ2 4.32Å; V52-W65 HydrophobicContact CG2-CD2 3.4Å; V52-W65 HydrophobicContact CG2-CE3 3.16Å; V52-W65 HydrophobicContact CG2-CG 4.12Å; V52-W65 HydrophobicContact CG2-CH2 3.66Å; V52-W65 HydrophobicContact CG2-CZ2 3.86Å; V52-W65 HydrophobicContact CG2-CZ3 3.3Å; W65-I67 HydrophobicContact CB-CG1 4.48Å; W65-Y80 HydrophobicContact CD2-CD1 4.04Å; W65-Y80 HydrophobicContact CD2-CE1 4.42Å; W65-Y80 AromaticContact CE3-CD1 3.46Å; W65-Y80 HydrophobicContact CE3-CD1 3.46Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.46Å; W65-Y80 AromaticContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CE3-CE1 3.42Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CZ3-CD1 4.02Å; W65-Y80 AromaticContact CZ3-CE1 3.73Å; W65-Y80 HydrophobicContact CZ3-CE1 3.73Å
66	D	95.1	Very high	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.4	169.7	174.2	40.7	0	0	0	109.8	K29 T30 L33 T47 S50 N51	K29-D66 WeakPolarHBondContact CB-OD1 3.4Å; T30-D66 WeakPolarHBondContact CB-OD2 3.38Å; T30-D66 PolarHBondContact OG1-OD2 2.95Å; L33-D66 HydrophobicContact CD2-CB 3.78Å; T47-D66 PolarHBondContact OG1-OD2 2.69Å; T47-D66 VanDerWaalsContact OG1-OD2 3.14Å; S50-D66 CarbonylContact C-O 3.54Å; S50-D66 WeakPolarHBondContact CA-O 3.4Å; N51-D66 PolarHBondContact N-O 2.83Å; N51-D66 PolarHBondContact O-N 2.87Å
67	I	94.9	Very high	91.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.5	-172.4	-53.1	167.9	0	0	0	109.9	I20 I21 V22 K29 W65 G69 W77 Y80	I20-I67 HydrophobicContact CB-CD1 4.04Å; I20-I67 HydrophobicContact CG2-CD1 4.26Å; I21-I67 PolarHBondContact O-N 2.89Å; I21-I67 VanDerWaalsContact O-N 3.14Å; V22-I67 HydrophobicContact CG1-CD1 3.95Å; K29-I67 WeakPolarHBondContact CE-O 3.19Å; W65-I67 HydrophobicContact CB-CG1 4.48Å; I67-G69 PolarHBondContact O-N 3.14Å; I67-W77 HydrophobicContact CG2-CG 4.3Å; I67-Y80 HydrophobicContact CD1-CD1 4.37Å; I67-Y80 HydrophobicContact CD1-CD2 3.6Å; I67-Y80 HydrophobicContact CD1-CE2 4.32Å; I67-Y80 HydrophobicContact CD1-CG 3.62Å; I67-Y80 HydrophobicContact CG1-CD2 4.07Å; I67-Y80 HydrophobicContact CG1-CE2 4.32Å; I67-Y80 HydrophobicContact CG1-CG 4.19Å; I67-Y80 HydrophobicContact CG2-CD2 4.27Å; I67-Y80 HydrophobicContact CG2-CE2 4.06Å
68	G	91.9	Very high	92	Very high	1 Å²	1	49 Å²	49	1%	0.01	26%	0.259	C	S	.	.			trans	-53.1	128.8	176.4	0	0	0	0	0	112.9	G49 W77	G49-G68 PolarHBondContact O-N 2.98Å; G68-W77 PolarHBondContact O-NE1 3.08Å
69	G	92.3	Very high	92.6	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.031	26%	0.257	C	S	.	.			trans	-96.9	-0.6	-175.6	0	0	0	0	0	115.8	G23 D25 I67 R74	G23-G69 WeakPolarHBondContact O-CA 3.46Å; D25-G69 PolarHBondContact N-O 2.77Å; D25-G69 VanDerWaalsContact N-O 3.12Å; I67-G69 PolarHBondContact O-N 3.14Å; G69-R74 PolarHBondContact O-NE 2.82Å; G69-R74 PolarHBondContact O-NH2 3.37Å
70	Q	92	Very high	93.3	Very high	59 Å²	59	42.8 Å²	42.8	28%	0.276	23%	0.234	S	C	.	.	S	Bend	trans	-64.4	145.6	-179.9	-58.1	171.4	28.7	0	0	109.6	D25 T47 S72 L73 R74	D25-Q70 HydrophobicContact CB-CG 4.17Å; T47-Q70 PolarHBondContact O-NE2 3.17Å; Q70-S72 VanDerWaalsContact C-N 3.27Å; Q70-S72 PolarHBondContact O-N 3.09Å; Q70-L73 HydrophobicContact CB-CD1 4.16Å; Q70-L73 HydrophobicContact CB-CG 4.25Å; Q70-L73 HydrophobicContact CG-CD1 4.37Å; Q70-L73 WeakPolarHBondContact O-CA 3.38Å; Q70-L73 WeakPolarHBondContact O-CB 3.36Å; Q70-L73 PolarHBondContact O-N 2.78Å; Q70-R74 WeakPolarHBondContact O-CG 3.37Å; Q70-R74 PolarHBondContact O-N 3.2Å
71	E	91.4	Very high	93.8	Very high	156 Å²	156	42 Å²	42	73%	0.729	23%	0.228	S	C	*	.	H	α-helix	trans	-50	-45.5	-176.3	-174.7	177.3	178	0	0	113.3	L73 R74	E71-L73 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact O-N 3.15Å; E71-R74 PolarHBondContact O-N 3.06Å
72	S	90.5	Very high	94	Very high	91 Å²	91	42.4 Å²	42.4	64%	0.636	24%	0.236	S	C	*	.	H	α-helix	trans	-64.2	-16.4	178.3	56.2	0	0	0	0	114.8	Q70	Q70-S72 VanDerWaalsContact C-N 3.27Å; Q70-S72 PolarHBondContact O-N 3.09Å
73	L	89.4	Confident	94	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.188	27%	0.27	C	S	.	.	H	α-helix	trans	-102.7	-15.5	-178.4	-59.4	179.2	0	0	0	112.8	Q70 E71 S75 S76	Q70-L73 HydrophobicContact CB-CD1 4.16Å; Q70-L73 HydrophobicContact CB-CG 4.25Å; Q70-L73 HydrophobicContact CG-CD1 4.37Å; Q70-L73 WeakPolarHBondContact O-CA 3.38Å; Q70-L73 WeakPolarHBondContact O-CB 3.36Å; Q70-L73 PolarHBondContact O-N 2.78Å; E71-L73 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact O-N 3.15Å; L73-S75 PolarHBondContact O-N 3.32Å; L73-S76 PolarHBondContact O-N 3.01Å; L73-S76 VanDerWaalsContact O-N 3.11Å; L73-S76 PolarHBondContact O-OG 3.12Å
74	R	92.6	Very high	94.1	Very high	19 Å²	19	46.7 Å²	46.7	7%	0.072	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-29.5	-175.1	-63.7	178.6	-162.1	142.9	5.4	113	D25 G69 Q70 E71 S76 W77	D25-R74 IonicContact OD1-NH2 2.95Å; D25-R74 PolarHBondContact OD1-NH2 2.99Å; D25-R74 VanDerWaalsContact OD1-NH2 3.11Å; G69-R74 PolarHBondContact O-NE 2.82Å; G69-R74 PolarHBondContact O-NH2 3.37Å; Q70-R74 WeakPolarHBondContact O-CG 3.37Å; Q70-R74 PolarHBondContact O-N 3.2Å; E71-R74 PolarHBondContact O-N 3.06Å; R74-S76 PolarHBondContact O-N 3.09Å; R74-W77 HydrophobicContact CB-CZ2 4.48Å; R74-W77 HydrophobicContact CG-CH2 4.33Å; R74-W77 HydrophobicContact CG-CZ2 3.81Å; R74-W77 WeakPolarHBondContact O-CB 3.34Å; R74-W77 PolarHBondContact O-N 3.15Å
75	S	90.9	Very high	94.1	Very high	90 Å²	90	48.1 Å²	48.1	63%	0.629	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.6	177	59	0	0	0	0	113.9	L73 N78	L73-S75 PolarHBondContact O-N 3.32Å; S75-N78 PolarHBondContact O-OD1 3.48Å; S75-N78 VanDerWaalsContact O-OD1 3.14Å
76	S	91.8	Very high	94.2	Very high	42 Å²	42	45.2 Å²	45.2	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.4	-179.8	68.3	0	0	0	0	113.9	L73 R74 N78 T79	L73-S76 PolarHBondContact O-N 3.01Å; L73-S76 VanDerWaalsContact O-N 3.11Å; L73-S76 PolarHBondContact O-OG 3.12Å; R74-S76 PolarHBondContact O-N 3.09Å; S76-N78 PolarHBondContact O-N 3.39Å; S76-N78 VanDerWaalsContact O-N 3.16Å; S76-T79 WeakPolarHBondContact O-CB 3.36Å; S76-T79 WeakPolarHBondContact O-CG2 3.42Å; S76-T79 PolarHBondContact O-N 2.81Å; S76-T79 PolarHBondContact O-OG1 3.22Å
77	W	95.9	Very high	94.4	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.011	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-55.8	-34.8	178.4	-72.3	5.2	0	0	0	112.3	V22 I67 G68 R74 T79 Y80 Y81 E105 M109	V22-W77 HydrophobicContact CB-CD2 4.45Å; V22-W77 HydrophobicContact CB-CE3 4.21Å; V22-W77 HydrophobicContact CB-CH2 4.1Å; V22-W77 HydrophobicContact CB-CZ2 4.33Å; V22-W77 HydrophobicContact CB-CZ3 4.02Å; V22-W77 HydrophobicContact CG1-CD2 4.16Å; V22-W77 HydrophobicContact CG1-CE3 4.19Å; I67-W77 HydrophobicContact CG2-CG 4.3Å; G68-W77 PolarHBondContact O-NE1 3.08Å; R74-W77 HydrophobicContact CB-CZ2 4.48Å; R74-W77 HydrophobicContact CG-CH2 4.33Å; R74-W77 HydrophobicContact CG-CZ2 3.81Å; R74-W77 WeakPolarHBondContact O-CB 3.34Å; R74-W77 PolarHBondContact O-N 3.15Å; W77-T79 PolarHBondContact O-N 2.86Å; W77-T79 VanDerWaalsContact O-N 3.16Å; W77-Y80 PolarHBondContact O-N 3.18Å; W77-Y81 VanDerWaalsContact C-CE1 3.42Å; W77-Y81 HydrophobicContact CB-CE1 4Å; W77-Y81 WeakPolarHBondContact CB-OH 3.33Å; W77-Y81 VanDerWaalsContact O-CD1 3.27Å; W77-Y81 WeakPolarHBondContact O-CD1 3.49Å; W77-Y81 WeakPolarHBondContact O-CE1 3.32Å; W77-E105 HydrophobicContact CH2-CB 4.46Å; W77-E105 HydrophobicContact CZ3-CB 3.88Å; W77-E105 HydrophobicContact CZ3-CG 4.37Å; W77-M109 HydrophobicContact CE3-CG 4.29Å; W77-M109 HydrophobicContact CE3-SD 3.53Å; W77-M109 VanDerWaalsContact CE3-SD 3.53Å; W77-M109 HydrophobicContact CZ3-SD 3.73Å
78	N	95.8	Very high	94.5	Very high	73 Å²	73	45.2 Å²	45.2	39%	0.39	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-61.7	-22.6	179.8	68.7	-28.8	0	0	0	114.3	S75 S76 Y80 Y81	S75-N78 PolarHBondContact O-OD1 3.48Å; S75-N78 VanDerWaalsContact O-OD1 3.14Å; S76-N78 PolarHBondContact O-N 3.39Å; S76-N78 VanDerWaalsContact O-N 3.16Å; N78-Y80 PolarHBondContact O-N 3.36Å; N78-Y80 VanDerWaalsContact O-N 3.15Å; N78-Y81 VanDerWaalsContact CA-CE2 3.41Å; N78-Y81 VanDerWaalsContact CA-CZ 3.49Å; N78-Y81 HydrophobicContact CB-CD2 3.9Å; N78-Y81 HydrophobicContact CB-CE2 3.61Å; N78-Y81 PolarHBondContact O-N 2.84Å
79	T	96.1	Very high	94.9	Very high	97 Å²	97	45.4 Å²	45.4	60%	0.595	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.5	-17	176.1	67.4	0	0	0	0	112.6	S76 W77	S76-T79 WeakPolarHBondContact O-CB 3.36Å; S76-T79 WeakPolarHBondContact O-CG2 3.42Å; S76-T79 PolarHBondContact O-N 2.81Å; S76-T79 PolarHBondContact O-OG1 3.22Å; W77-T79 PolarHBondContact O-N 2.86Å; W77-T79 VanDerWaalsContact O-N 3.16Å
80	Y	96.9	Very high	95.2	Very high	36 Å²	36	45.2 Å²	45.2	14%	0.141	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-99.9	-8.1	-179.4	-58.5	-86.9	0	0	0	113.9	K18 S50 W65 I67 W77 N78 S82 T84	K18-Y80 WeakPolarHBondContact CE-O 3.22Å; K18-Y80 PolarHBondContact NZ-O 3.01Å; S50-Y80 WeakPolarHBondContact CB-OH 3.42Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.27Å; S50-Y80 PolarHBondContact OG-OH 2.88Å; W65-Y80 HydrophobicContact CD2-CD1 4.04Å; W65-Y80 HydrophobicContact CD2-CE1 4.42Å; W65-Y80 AromaticContact CE3-CD1 3.46Å; W65-Y80 HydrophobicContact CE3-CD1 3.46Å; W65-Y80 VanDerWaalsContact CE3-CD1 3.46Å; W65-Y80 AromaticContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CE3-CE1 3.42Å; W65-Y80 VanDerWaalsContact CE3-CE1 3.42Å; W65-Y80 HydrophobicContact CZ3-CD1 4.02Å; W65-Y80 AromaticContact CZ3-CE1 3.73Å; W65-Y80 HydrophobicContact CZ3-CE1 3.73Å; I67-Y80 HydrophobicContact CD1-CD1 4.37Å; I67-Y80 HydrophobicContact CD1-CD2 3.6Å; I67-Y80 HydrophobicContact CD1-CE2 4.32Å; I67-Y80 HydrophobicContact CD1-CG 3.62Å; I67-Y80 HydrophobicContact CG1-CD2 4.07Å; I67-Y80 HydrophobicContact CG1-CE2 4.32Å; I67-Y80 HydrophobicContact CG1-CG 4.19Å; I67-Y80 HydrophobicContact CG2-CD2 4.27Å; I67-Y80 HydrophobicContact CG2-CE2 4.06Å; W77-Y80 PolarHBondContact O-N 3.18Å; N78-Y80 PolarHBondContact O-N 3.36Å; N78-Y80 VanDerWaalsContact O-N 3.15Å; Y80-S82 PolarHBondContact O-N 2.95Å; Y80-T84 PolarHBondContact O-OG1 2.84Å; Y80-T84 VanDerWaalsContact O-OG1 3.08Å
81	Y	97.6	Very high	95.5	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.035	24%	0.242	C	C	.	.			trans	-69.2	-36.4	-169	-66.4	-8.1	0	0	0	114.5	I20 W77 N78 N83 T84 M109 H112 L115	I20-Y81 HydrophobicContact CD1-CD1 3.74Å; I20-Y81 HydrophobicContact CD1-CE1 3.94Å; W77-Y81 VanDerWaalsContact C-CE1 3.42Å; W77-Y81 HydrophobicContact CB-CE1 4Å; W77-Y81 WeakPolarHBondContact CB-OH 3.33Å; W77-Y81 VanDerWaalsContact O-CD1 3.27Å; W77-Y81 WeakPolarHBondContact O-CD1 3.49Å; W77-Y81 WeakPolarHBondContact O-CE1 3.32Å; N78-Y81 VanDerWaalsContact CA-CE2 3.41Å; N78-Y81 VanDerWaalsContact CA-CZ 3.49Å; N78-Y81 HydrophobicContact CB-CD2 3.9Å; N78-Y81 HydrophobicContact CB-CE2 3.61Å; N78-Y81 PolarHBondContact O-N 2.84Å; Y81-N83 PolarHBondContact O-N 2.82Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 2.81Å; Y81-T84 PolarHBondContact O-OG1 3.02Å; Y81-M109 HydrophobicContact CE1-CE 4.22Å; Y81-M109 HydrophobicContact CE1-CG 4.25Å; Y81-M109 HydrophobicContact CE2-CG 4.49Å; Y81-M109 WeakPolarHBondContact OH-CG 3.49Å; Y81-H112 HydrophobicContact CD2-CB 3.82Å; Y81-H112 AromaticContact CD2-CD2 3.83Å; Y81-H112 AromaticContact CD2-CG 3.51Å; Y81-H112 AromaticContact CD2-ND1 3.65Å; Y81-H112 HydrophobicContact CE2-CB 3.94Å; Y81-H112 AromaticContact CE2-CD2 3.98Å; Y81-H112 AromaticContact CE2-CG 3.89Å; Y81-L115 HydrophobicContact CD1-CD1 3.7Å; Y81-L115 HydrophobicContact CD1-CD2 4.15Å; Y81-L115 HydrophobicContact CD1-CG 4.14Å; Y81-L115 HydrophobicContact CD2-CD1 3.73Å; Y81-L115 HydrophobicContact CD2-CG 3.97Å; Y81-L115 HydrophobicContact CE1-CD1 3.91Å; Y81-L115 HydrophobicContact CE2-CD1 3.94Å; Y81-L115 HydrophobicContact CG-CD1 3.64Å; Y81-L115 HydrophobicContact CG-CD2 4Å; Y81-L115 HydrophobicContact CG-CG 3.71Å
82	S	96	Very high	95.8	Very high	55 Å²	55	35.7 Å²	35.7	39%	0.385	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	129.6	-177.3	-171.8	0	0	0	0	112.2	K18 Y80 T84	K18-S82 PolarHBondContact NZ-O 2.86Å; Y80-S82 PolarHBondContact O-N 2.95Å; S82-T84 PolarHBondContact O-N 2.82Å
83	N	93.9	Very high	96.2	Very high	133 Å²	133	31.3 Å²	31.3	71%	0.711	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	16.6	-177.4	-53.9	-49.8	0	0	0	115.8	K18 Y81 E85	K18-N83 WeakPolarHBondContact CB-O 3.36Å; Y81-N83 PolarHBondContact O-N 2.82Å; N83-E85 PolarHBondContact O-N 3.5Å
84	T	97.3	Very high	96.6	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.049	19%	0.188	C	C	.	.			trans	-72.3	128.9	175.7	-61.8	0	0	0	0	110.6	I20 Y80 Y81 S82 F86 I87 L115	I20-T84 HydrophobicContact CB-CG2 4.41Å; I20-T84 HydrophobicContact CD1-CG2 4.1Å; I20-T84 HydrophobicContact CG1-CG2 3.88Å; I20-T84 HydrophobicContact CG2-CG2 4Å; Y80-T84 PolarHBondContact O-OG1 2.84Å; Y80-T84 VanDerWaalsContact O-OG1 3.08Å; Y81-T84 WeakPolarHBondContact O-CB 3.32Å; Y81-T84 PolarHBondContact O-N 2.81Å; Y81-T84 PolarHBondContact O-OG1 3.02Å; S82-T84 PolarHBondContact O-N 2.82Å; T84-F86 WeakPolarHBondContact CG2-O 3.14Å; T84-I87 HydrophobicContact CG2-CG1 4.27Å; T84-L115 HydrophobicContact CG2-CD2 3.96Å
85	E	97.3	Very high	96.9	Very high	31 Å²	31	33 Å²	33	15%	0.145	19%	0.192	C	C	.	.			trans	-99.5	-30.6	177.8	-58.3	-163.9	-172.7	0	0	112.6	H17 K18 N83 A118 A119 R179	H17-E85 IonicContact CE1-OE2 3.64Å; H17-E85 IonicContact CG-OE2 3.23Å; H17-E85 IonicContact ND1-OE1 3.96Å; H17-E85 IonicContact ND1-OE2 2.77Å; H17-E85 PolarHBondContact ND1-OE2 3.23Å; K18-E85 PolarHBondContact O-N 3.29Å; N83-E85 PolarHBondContact O-N 3.5Å; E85-A118 CarbonylContact O-C 3.54Å; E85-A118 VanDerWaalsContact O-CA 3.23Å; E85-A118 WeakPolarHBondContact O-CA 3.42Å; E85-A119 PolarHBondContact O-N 3.14Å; E85-R179 IonicContact OE1-CZ 3.59Å; E85-R179 IonicContact OE1-NH1 2.77Å; E85-R179 PolarHBondContact OE1-NH1 3.35Å; E85-R179 IonicContact OE1-NH2 3.68Å; E85-R179 IonicContact OE2-CZ 3.2Å; E85-R179 IonicContact OE2-NE 3.99Å; E85-R179 IonicContact OE2-NH1 3.04Å; E85-R179 PolarHBondContact OE2-NH1 2.86Å; E85-R179 IonicContact OE2-NH2 3.27Å; E85-R179 PolarHBondContact OE2-NH2 3.18Å
86	F	98.3	Very high	97.2	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.9	-179.6	-62	-84.5	0	0	0	111.2	H17 K18 V19 I20 F62 T84 A119 M172 R175 A176	H17-F86 HydrophobicContact CB-CD2 4.25Å; H17-F86 HydrophobicContact CB-CE2 4.11Å; K18-F86 PolarHBondContact O-N 2.94Å; V19-F86 VanDerWaalsContact CA-O 3.32Å; V19-F86 WeakPolarHBondContact CA-O 3.15Å; V19-F86 HydrophobicContact CB-CB 4.42Å; V19-F86 HydrophobicContact CG1-CB 4.06Å; V19-F86 HydrophobicContact CG2-CB 4.07Å; V19-F86 HydrophobicContact CG2-CD2 4.37Å; I20-F86 PolarHBondContact N-O 2.82Å; F62-F86 HydrophobicContact CE1-CD2 4.16Å; F62-F86 HydrophobicContact CE1-CE2 4.03Å; T84-F86 WeakPolarHBondContact CG2-O 3.14Å; F86-A119 CarbonylContact C-O 3.58Å; F86-A119 WeakPolarHBondContact CA-O 3.49Å; F86-A119 HydrophobicContact CD1-CB 3.77Å; F86-A119 HydrophobicContact CE1-CB 3.86Å; F86-M172 HydrophobicContact CB-CE 3.57Å; F86-M172 HydrophobicContact CD1-CB 4.29Å; F86-M172 HydrophobicContact CD1-CE 4.03Å; F86-M172 HydrophobicContact CD1-CG 4.06Å; F86-M172 HydrophobicContact CD2-CE 4.09Å; F86-M172 HydrophobicContact CE1-CB 4.2Å; F86-M172 HydrophobicContact CE1-CG 4.39Å; F86-M172 HydrophobicContact CG-CE 3.63Å; F86-M172 WeakPolarHBondContact CZ-O 3.35Å; F86-R175 HydrophobicContact CE1-CB 3.79Å; F86-R175 HydrophobicContact CZ-CB 4.04Å; F86-A176 HydrophobicContact CE2-CB 4.32Å; F86-A176 HydrophobicContact CZ-CB 4.12Å
87	I	98.6	Very high	97.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.5	170.9	-57	164.1	0	0	0	106.4	I20 V22 T84 M109 L110 L115 A118 A119 L120 L121	I20-I87 HydrophobicContact CD1-CG1 4.12Å; I20-I87 HydrophobicContact CG1-CB 4.37Å; I20-I87 HydrophobicContact CG1-CG1 4.11Å; I20-I87 HydrophobicContact CG1-CG2 4.23Å; V22-I87 HydrophobicContact CG2-CG2 3.88Å; T84-I87 HydrophobicContact CG2-CG1 4.27Å; I87-M109 HydrophobicContact CD1-CE 4.13Å; I87-M109 HydrophobicContact CG1-CE 4.34Å; I87-M109 HydrophobicContact CG2-CE 3.55Å; I87-L110 HydrophobicContact CD1-CD2 4.04Å; I87-L115 HydrophobicContact CD1-CB 4.32Å; I87-L115 HydrophobicContact CD1-CD1 3.84Å; I87-L115 HydrophobicContact CD1-CD2 4.09Å; I87-L115 HydrophobicContact CD1-CG 4.3Å; I87-L115 HydrophobicContact CG1-CD2 4.27Å; I87-A118 HydrophobicContact CD1-CB 3.91Å; I87-A118 HydrophobicContact CG1-CB 4Å; I87-A119 PolarHBondContact N-O 3.29Å; I87-L120 HydrophobicContact CB-CD1 3.94Å; I87-L120 HydrophobicContact CG2-CD1 3.75Å; I87-L121 PolarHBondContact O-N 2.87Å
88	I	98.8	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.6	166	-60.2	-179.5	0	0	0	107.4	V19 I20 I21 V22 V90 L121 F123 M172	V19-I88 HydrophobicContact CG1-CD1 3.76Å; V19-I88 HydrophobicContact CG1-CG1 3.75Å; I20-I88 PolarHBondContact O-N 3.08Å; I21-I88 WeakPolarHBondContact CA-O 3.2Å; I21-I88 HydrophobicContact CG1-CB 4.27Å; I21-I88 HydrophobicContact CG1-CD1 4.31Å; I21-I88 HydrophobicContact CG2-CB 4.33Å; I21-I88 HydrophobicContact CG2-CG2 4.2Å; V22-I88 PolarHBondContact N-O 2.95Å; I88-V90 HydrophobicContact CG2-CG2 3.98Å; I88-L121 CarbonylContact C-O 3.49Å; I88-L121 WeakPolarHBondContact CA-O 3.08Å; I88-L121 HydrophobicContact CG1-CB 4.38Å; I88-L121 HydrophobicContact CG1-CD2 4.31Å; I88-F123 HydrophobicContact CG2-CD2 3.57Å; I88-F123 HydrophobicContact CG2-CE2 4Å; I88-M172 HydrophobicContact CD1-CE 4.22Å; I88-M172 HydrophobicContact CD1-SD 3.78Å; I88-M172 HydrophobicContact CG1-CE 4.41Å; I88-M172 HydrophobicContact CG1-SD 3.92Å
89	L	98.8	Very high	97.7	Very high	5 Å²	5	40 Å²	40	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.6	169.2	177.9	66.8	0	0	0	109.3	V22 V91 L106 L120 L121 I122 F123 L142	V22-L89 HydrophobicContact CG2-CD1 4.2Å; V22-L89 WeakPolarHBondContact O-CA 3.12Å; L89-V91 HydrophobicContact CD2-CG2 4.14Å; L89-V91 HydrophobicContact CG-CG2 4.08Å; L89-L106 HydrophobicContact CD2-CB 4.19Å; L89-L106 HydrophobicContact CD2-CD1 4.13Å; L89-L106 HydrophobicContact CD2-CD2 4.06Å; L89-L106 HydrophobicContact CD2-CG 4.35Å; L89-L120 HydrophobicContact CB-CD1 4.16Å; L89-L121 PolarHBondContact N-O 2.86Å; L89-I122 HydrophobicContact CB-CG1 4.43Å; L89-I122 HydrophobicContact CD2-CG1 4.45Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; L89-I122 CarbonylContact O-C 3.59Å; L89-I122 WeakPolarHBondContact O-CA 3.27Å; L89-F123 PolarHBondContact O-N 2.87Å; L89-L142 HydrophobicContact CD2-CD1 4.39Å
90	V	98.8	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	121.8	175.1	-170.5	0	0	0	0	109.6	I21 V22 A27 K29 I32 I88 N125	I21-V90 HydrophobicContact CG2-CG2 3.81Å; V22-V90 PolarHBondContact O-N 3.23Å; A27-V90 HydrophobicContact CB-CB 4.32Å; A27-V90 HydrophobicContact CB-CG1 4.07Å; A27-V90 WeakPolarHBondContact CB-O 3.49Å; A27-V90 VanDerWaalsContact O-CG1 3.28Å; A27-V90 WeakPolarHBondContact O-CG1 3.49Å; K29-V90 HydrophobicContact CB-CG2 4.43Å; K29-V90 HydrophobicContact CG-CB 3.83Å; K29-V90 HydrophobicContact CG-CG2 3.82Å; I32-V90 HydrophobicContact CD1-CG1 3.72Å; I32-V90 HydrophobicContact CD1-CG2 3.91Å; I88-V90 HydrophobicContact CG2-CG2 3.98Å; V90-N125 HydrophobicContact CG1-CB 3.88Å
91	V	98.8	Very high	97.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.5	179.3	178.5	0	0	0	0	109.1	L89 S93 L99 I122 F123 N125 I138 L142	L89-V91 HydrophobicContact CD2-CG2 4.14Å; L89-V91 HydrophobicContact CG-CG2 4.08Å; V91-S93 PolarHBondContact O-N 3.29Å; V91-L99 HydrophobicContact CG1-CD1 3.54Å; V91-I122 HydrophobicContact CG2-CG2 3.96Å; V91-F123 PolarHBondContact N-O 3.27Å; V91-N125 WeakPolarHBondContact O-CB 3.27Å; V91-N125 PolarHBondContact O-N 2.77Å; V91-I138 HydrophobicContact CG1-CD1 4.14Å; V91-I138 HydrophobicContact CG1-CG1 4.5Å; V91-I138 HydrophobicContact CG1-CG2 4.21Å; V91-L142 HydrophobicContact CG2-CD1 4.29Å
92	D	98.5	Very high	97.9	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.064	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	110.2	167.6	-172.4	-23.5	0	0	0	109.1	T94 D95 K126	D92-T94 PolarHBondContact O-N 2.75Å; D92-T94 WeakPolarHBondContact OD1-CB 3.47Å; D92-T94 PolarHBondContact OD1-N 2.95Å; D92-T94 PolarHBondContact OD1-OG1 3.23Å; D92-D95 HydrophobicContact CB-CB 3.84Å; D92-D95 PolarHBondContact O-N 3.23Å; D92-K126 WeakPolarHBondContact OD1-CD 3.44Å; D92-K126 IonicContact OD1-NZ 3.11Å; D92-K126 VanDerWaalsContact OD2-CE 3.3Å; D92-K126 WeakPolarHBondContact OD2-CE 3.46Å; D92-K126 IonicContact OD2-NZ 3.35Å; D92-K126 PolarHBondContact OD2-NZ 3.41Å
93	S	98.8	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.8	-177.2	-53.7	0	0	0	0	113.2	V91 A124 N125 Q127 C132 M133	V91-S93 PolarHBondContact O-N 3.29Å; S93-A124 VanDerWaalsContact OG-C 3.26Å; S93-N125 WeakPolarHBondContact CB-O 3.36Å; S93-N125 PolarHBondContact N-O 3.12Å; S93-N125 PolarHBondContact OG-N 3.46Å; S93-N125 PolarHBondContact OG-O 2.92Å; S93-Q127 PolarHBondContact OG-NE2 3.01Å; S93-C132 CarbonylContact O-C 3.55Å; S93-C132 WeakPolarHBondContact O-CA 2.84Å; S93-M133 WeakPolarHBondContact CB-O 3.34Å; S93-M133 WeakPolarHBondContact O-CB 3.43Å; S93-M133 VanDerWaalsContact O-CE 3.25Å; S93-M133 WeakPolarHBondContact O-CE 3.42Å; S93-M133 PolarHBondContact O-N 2.99Å
94	T	98.3	Very high	98.2	Very high	57 Å²	57	38.4 Å²	38.4	35%	0.35	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-18	176.5	69.1	0	0	0	0	112.5	D92 R96 K126 M129 C132	D92-T94 PolarHBondContact O-N 2.75Å; D92-T94 WeakPolarHBondContact OD1-CB 3.47Å; D92-T94 PolarHBondContact OD1-N 2.95Å; D92-T94 PolarHBondContact OD1-OG1 3.23Å; T94-R96 PolarHBondContact O-N 3.4Å; T94-K126 HydrophobicContact CG2-CB 4.38Å; T94-M129 HydrophobicContact CG2-CB 3.42Å; T94-M129 VanDerWaalsContact CG2-CB 3.42Å; T94-M129 HydrophobicContact CG2-CG 3.79Å; T94-C132 HydrophobicContact CG2-CB 4.13Å
95	D	97.8	Very high	98.2	Very high	32 Å²	32	39.4 Å²	39.4	17%	0.171	19%	0.187	C	C	.	.			trans	-96.8	72.2	-170	-160.3	-29	0	0	0	112.1	D92 E97 R98 L99	D92-D95 HydrophobicContact CB-CB 3.84Å; D92-D95 PolarHBondContact O-N 3.23Å; D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 3.49Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.32Å; D95-R98 PolarHBondContact OD1-N 2.87Å; D95-R98 IonicContact OD1-NE 2.82Å; D95-R98 IonicContact OD2-CZ 2.67Å; D95-R98 IonicContact OD2-NE 3.83Å; D95-R98 PolarHBondContact OD2-NE 2.89Å; D95-R98 IonicContact OD2-NH2 3.95Å; D95-R98 PolarHBondContact OD2-NH2 3.26Å; D95-L99 PolarHBondContact O-N 3.14Å
96	R	97.9	Very high	98.3	Very high	116 Å²	116	38 Å²	38	44%	0.438	18%	0.181	S	C	.	.	S	Bend	trans	-62.6	-34.6	-179.3	-62	-170.7	178.4	-105	-1.2	112.2	T94 D131 M133 E137	T94-R96 PolarHBondContact O-N 3.4Å; R96-D131 PolarHBondContact NH2-O 2.89Å; R96-D131 VanDerWaalsContact NH2-O 3.15Å; R96-M133 HydrophobicContact CB-CE 4.38Å; R96-M133 HydrophobicContact CB-SD 4.39Å; R96-M133 HydrophobicContact CG-CE 3.82Å; R96-M133 HydrophobicContact CG-CG 3.86Å; R96-M133 HydrophobicContact CG-SD 3.71Å; R96-M133 VanDerWaalsContact NH1-CG 3.31Å; R96-E137 IonicContact CZ-OE1 3.76Å; R96-E137 IonicContact NH1-OE1 2.69Å; R96-E137 PolarHBondContact NH1-OE1 3.1Å; R96-E137 IonicContact NH2-OE1 3.08Å; R96-E137 PolarHBondContact NH2-OE1 3.27Å
97	E	97.4	Very high	98.3	Very high	176 Å²	176	41.2 Å²	41.2	82%	0.822	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-41.7	-175.6	-64.2	-174.9	173.5	0	0	111.9	D95 L99	D95-E97 VanDerWaalsContact C-N 3.26Å; D95-E97 PolarHBondContact O-N 3.49Å; E97-L99 VanDerWaalsContact C-N 3.34Å
98	R	97.8	Very high	98.2	Very high	64 Å²	64	46.7 Å²	46.7	24%	0.242	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4	-178.9	-59.2	-167.9	-67.2	161.7	5	113.9	L24 D25 D95 V100 I101 S102	L24-R98 HydrophobicContact CD1-CB 3.58Å; L24-R98 WeakPolarHBondContact CD1-O 3.31Å; D25-R98 PolarHBondContact O-NH2 2.85Å; D25-R98 IonicContact OD1-NH1 3.99Å; D25-R98 PolarHBondContact OD1-NH1 2.86Å; D25-R98 IonicContact OD2-CZ 3.33Å; D25-R98 IonicContact OD2-NH1 3.79Å; D25-R98 PolarHBondContact OD2-NH1 3.13Å; D25-R98 IonicContact OD2-NH2 3.43Å; D95-R98 WeakPolarHBondContact OD1-CB 3.45Å; D95-R98 WeakPolarHBondContact OD1-CG 3.32Å; D95-R98 PolarHBondContact OD1-N 2.87Å; D95-R98 IonicContact OD1-NE 2.82Å; D95-R98 IonicContact OD2-CZ 2.67Å; D95-R98 IonicContact OD2-NE 3.83Å; D95-R98 PolarHBondContact OD2-NE 2.89Å; D95-R98 IonicContact OD2-NH2 3.95Å; D95-R98 PolarHBondContact OD2-NH2 3.26Å; R98-V100 PolarHBondContact O-N 3.39Å; R98-I101 HydrophobicContact CB-CD1 4.14Å; R98-I101 HydrophobicContact CG-CD1 4.15Å; R98-I101 WeakPolarHBondContact O-CB 3.3Å; R98-I101 PolarHBondContact O-N 3.2Å; R98-S102 PolarHBondContact O-N 2.93Å
99	L	97.8	Very high	98.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-28.8	177	-166.2	62.9	0	0	0	112.6	V91 D95 E97 I101 S102 K103 M133 I138 Y141 L142	V91-L99 HydrophobicContact CG1-CD1 3.54Å; D95-L99 PolarHBondContact O-N 3.14Å; E97-L99 VanDerWaalsContact C-N 3.34Å; L99-I101 VanDerWaalsContact C-N 3.32Å; L99-I101 PolarHBondContact O-N 3.13Å; L99-S102 PolarHBondContact O-N 3.17Å; L99-K103 PolarHBondContact O-N 3.15Å; L99-M133 HydrophobicContact CD2-CE 4.05Å; L99-M133 HydrophobicContact CD2-SD 3.59Å; L99-M133 VanDerWaalsContact CD2-SD 3.59Å; L99-I138 HydrophobicContact CD1-CG2 4.47Å; L99-Y141 HydrophobicContact CB-CD1 4.14Å; L99-Y141 HydrophobicContact CB-CE1 3.9Å; L99-Y141 HydrophobicContact CD2-CD1 3.37Å; L99-Y141 HydrophobicContact CD2-CD2 4.04Å; L99-Y141 HydrophobicContact CD2-CE1 3.98Å; L99-Y141 HydrophobicContact CD2-CG 3.41Å; L99-Y141 VanDerWaalsContact CD2-CG 3.41Å; L99-Y141 HydrophobicContact CG-CD1 3.46Å; L99-Y141 VanDerWaalsContact CG-CD1 3.46Å; L99-Y141 HydrophobicContact CG-CE1 3.73Å; L99-Y141 HydrophobicContact CG-CG 4.06Å; L99-L142 HydrophobicContact CD1-CD2 3.91Å; L99-L142 HydrophobicContact CD1-CG 4.35Å; L99-L142 HydrophobicContact CG-CD2 4.14Å
100	V	98.3	Very high	98.1	Very high	58 Å²	58	47.2 Å²	47.2	35%	0.352	22%	0.219	S	C	.	.	H	α-helix	trans	-59.8	-41.8	172.1	66	0	0	0	0	112	R98 K103 E104	R98-V100 PolarHBondContact O-N 3.39Å; V100-K103 WeakPolarHBondContact O-CB 3.48Å; V100-K103 PolarHBondContact O-N 2.89Å; V100-E104 WeakPolarHBondContact O-CG 3.42Å; V100-E104 PolarHBondContact O-N 3.26Å
101	I	98.2	Very high	98	Very high	48 Å²	48	51.3 Å²	51.3	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-42	179.5	-52.2	176.4	0	0	0	109.7	L24 R98 L99 K103 E104 E105	L24-I101 HydrophobicContact CD1-CB 4.21Å; L24-I101 HydrophobicContact CD1-CG2 4.46Å; L24-I101 HydrophobicContact CD2-CB 4.35Å; L24-I101 HydrophobicContact CD2-CG2 3.79Å; R98-I101 HydrophobicContact CB-CD1 4.14Å; R98-I101 HydrophobicContact CG-CD1 4.15Å; R98-I101 WeakPolarHBondContact O-CB 3.3Å; R98-I101 PolarHBondContact O-N 3.2Å; L99-I101 VanDerWaalsContact C-N 3.32Å; L99-I101 PolarHBondContact O-N 3.13Å; I101-K103 VanDerWaalsContact C-N 3.26Å; I101-K103 PolarHBondContact O-N 3.13Å; I101-E104 PolarHBondContact O-N 3.13Å; I101-E105 PolarHBondContact O-N 2.83Å
102	S	98.1	Very high	98	Very high	7 Å²	7	53.9 Å²	53.9	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-37.1	175.7	-63.6	0	0	0	0	111.8	L24 R98 L99 L106	L24-S102 WeakPolarHBondContact CD1-OG 3.38Å; L24-S102 WeakPolarHBondContact CG-OG 3.28Å; R98-S102 PolarHBondContact O-N 2.93Å; L99-S102 PolarHBondContact O-N 3.17Å; S102-L106 WeakPolarHBondContact O-CB 3.49Å; S102-L106 PolarHBondContact O-N 2.78Å
103	K	98.6	Very high	97.9	Very high	59 Å²	59	61 Å²	61	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-51.6	174.1	-172.5	177.5	-176.6	159.4	0	111.3	L99 V100 I101 E105 L106 Y107 Y141 L142 T143	L99-K103 PolarHBondContact O-N 3.15Å; V100-K103 WeakPolarHBondContact O-CB 3.48Å; V100-K103 PolarHBondContact O-N 2.89Å; I101-K103 VanDerWaalsContact C-N 3.26Å; I101-K103 PolarHBondContact O-N 3.13Å; K103-E105 PolarHBondContact O-N 2.98Å; K103-L106 WeakPolarHBondContact O-CB 3.22Å; K103-L106 PolarHBondContact O-N 2.95Å; K103-Y107 HydrophobicContact CG-CD2 3.85Å; K103-Y107 HydrophobicContact CG-CE2 3.8Å; K103-Y107 VanDerWaalsContact O-CD2 3.28Å; K103-Y107 WeakPolarHBondContact O-CD2 3.28Å; K103-Y107 PolarHBondContact O-N 3.47Å; K103-Y141 PolarHBondContact NZ-O 3.24Å; K103-L142 HydrophobicContact CB-CD2 3.74Å; K103-L142 HydrophobicContact CG-CD2 4.34Å; K103-T143 VanDerWaalsContact CE-OG1 3.31Å; K103-T143 WeakPolarHBondContact CE-OG1 3.44Å; K103-T143 PolarHBondContact NZ-OG1 2.89Å; K103-T143 VanDerWaalsContact NZ-OG1 3.15Å
104	E	98.2	Very high	97.8	Very high	123 Å²	123	64.3 Å²	64.3	58%	0.575	32%	0.316	S	S	*	.	H	α-helix	trans	-57.6	-48.2	-179	-72.4	173.7	180	0	0	111.8	V100 I101 L106 Y107 K108	V100-E104 WeakPolarHBondContact O-CG 3.42Å; V100-E104 PolarHBondContact O-N 3.26Å; I101-E104 PolarHBondContact O-N 3.13Å; E104-L106 PolarHBondContact O-N 3.43Å; E104-Y107 PolarHBondContact O-N 2.96Å; E104-K108 VanDerWaalsContact O-CB 3.29Å; E104-K108 WeakPolarHBondContact O-CB 3.41Å; E104-K108 PolarHBondContact O-N 3.42Å
105	E	98.1	Very high	97.8	Very high	29 Å²	29	61.6 Å²	61.6	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-36.7	178.3	-66.4	-63	166.6	0	0	112.3	W77 I101 K103 K108 M109	W77-E105 HydrophobicContact CH2-CB 4.46Å; W77-E105 HydrophobicContact CZ3-CB 3.88Å; W77-E105 HydrophobicContact CZ3-CG 4.37Å; I101-E105 PolarHBondContact O-N 2.83Å; K103-E105 PolarHBondContact O-N 2.98Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K108 IonicContact OE1-NZ 3.68Å; E105-K108 IonicContact OE2-NZ 3.68Å; E105-K108 PolarHBondContact OE2-NZ 3.27Å; E105-M109 WeakPolarHBondContact O-CB 3.34Å; E105-M109 VanDerWaalsContact O-CG 3.3Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.5Å
106	L	98.4	Very high	97.6	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-58.4	-52	174.3	171.6	61.1	0	0	0	111.6	L89 S102 K103 E104 K108 M109 L110 L120 L142 L144 I147	L89-L106 HydrophobicContact CD2-CB 4.19Å; L89-L106 HydrophobicContact CD2-CD1 4.13Å; L89-L106 HydrophobicContact CD2-CD2 4.06Å; L89-L106 HydrophobicContact CD2-CG 4.35Å; S102-L106 WeakPolarHBondContact O-CB 3.49Å; S102-L106 PolarHBondContact O-N 2.78Å; K103-L106 WeakPolarHBondContact O-CB 3.22Å; K103-L106 PolarHBondContact O-N 2.95Å; E104-L106 PolarHBondContact O-N 3.43Å; L106-K108 PolarHBondContact O-N 2.89Å; L106-M109 WeakPolarHBondContact O-CB 3.4Å; L106-M109 PolarHBondContact O-N 3.05Å; L106-L110 HydrophobicContact CD1-CD1 3.84Å; L106-L110 HydrophobicContact CD1-CD2 4.43Å; L106-L110 HydrophobicContact CD1-CG 3.94Å; L106-L110 HydrophobicContact CG-CD1 4.21Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.01Å; L106-L120 HydrophobicContact CD1-CD1 3.95Å; L106-L120 HydrophobicContact CD1-CD2 3.65Å; L106-L120 HydrophobicContact CD1-CG 4.47Å; L106-L120 HydrophobicContact CD2-CD2 4.45Å; L106-L142 HydrophobicContact CD2-CD1 4.5Å; L106-L144 HydrophobicContact CD2-CD2 3.85Å; L106-I147 HydrophobicContact CD2-CD1 4.36Å
107	Y	98.2	Very high	97.4	Very high	73 Å²	73	72.7 Å²	72.7	29%	0.286	34%	0.344	S	S	.	.	H	α-helix	trans	-70.3	-33.9	-177.9	-78.3	-83	0	0	0	112.4	K103 E104 M109 L110 A111 L142 T143 S146 I147	K103-Y107 HydrophobicContact CG-CD2 3.85Å; K103-Y107 HydrophobicContact CG-CE2 3.8Å; K103-Y107 VanDerWaalsContact O-CD2 3.28Å; K103-Y107 WeakPolarHBondContact O-CD2 3.28Å; K103-Y107 PolarHBondContact O-N 3.47Å; E104-Y107 PolarHBondContact O-N 2.96Å; Y107-M109 VanDerWaalsContact C-N 3.32Å; Y107-L110 PolarHBondContact O-N 3.25Å; Y107-A111 WeakPolarHBondContact O-CB 3.18Å; Y107-A111 PolarHBondContact O-N 3.07Å; Y107-L142 VanDerWaalsContact CE2-O 3.3Å; Y107-L142 WeakPolarHBondContact CE2-O 3.39Å; Y107-L142 PolarHBondContact OH-O 3.03Å; Y107-T143 PolarHBondContact OH-O 2.99Å; Y107-T143 VanDerWaalsContact OH-O 3.09Å; Y107-T143 PolarHBondContact OH-OG1 3.46Å; Y107-S146 PolarHBondContact OH-OG 2.86Å; Y107-S146 VanDerWaalsContact OH-OG 3.12Å; Y107-I147 HydrophobicContact CE1-CG1 4.22Å
108	K	97.3	Very high	97.4	Very high	116 Å²	116	64.3 Å²	64.3	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-41.3	171.8	179.5	-178.5	165	-158.8	0	111.8	E104 E105 L106	E104-K108 VanDerWaalsContact O-CB 3.29Å; E104-K108 WeakPolarHBondContact O-CB 3.41Å; E104-K108 PolarHBondContact O-N 3.42Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K108 IonicContact OE1-NZ 3.68Å; E105-K108 IonicContact OE2-NZ 3.68Å; E105-K108 PolarHBondContact OE2-NZ 3.27Å; L106-K108 PolarHBondContact O-N 2.89Å
109	M	97.5	Very high	97.4	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-53.1	174.2	-83.7	-177.1	53.7	0	0	112.3	I20 V22 W77 Y81 I87 E105 L106 Y107 A111 H112 L115	I20-M109 HydrophobicContact CD1-CE 3.83Å; V22-M109 HydrophobicContact CB-SD 4.29Å; V22-M109 HydrophobicContact CG1-CE 4.35Å; V22-M109 HydrophobicContact CG1-SD 4.33Å; V22-M109 HydrophobicContact CG2-CE 3.75Å; V22-M109 HydrophobicContact CG2-SD 3.81Å; W77-M109 HydrophobicContact CE3-CG 4.29Å; W77-M109 HydrophobicContact CE3-SD 3.53Å; W77-M109 VanDerWaalsContact CE3-SD 3.53Å; W77-M109 HydrophobicContact CZ3-SD 3.73Å; Y81-M109 HydrophobicContact CE1-CE 4.22Å; Y81-M109 HydrophobicContact CE1-CG 4.25Å; Y81-M109 HydrophobicContact CE2-CG 4.49Å; Y81-M109 WeakPolarHBondContact OH-CG 3.49Å; I87-M109 HydrophobicContact CD1-CE 4.13Å; I87-M109 HydrophobicContact CG1-CE 4.34Å; I87-M109 HydrophobicContact CG2-CE 3.55Å; E105-M109 WeakPolarHBondContact O-CB 3.34Å; E105-M109 VanDerWaalsContact O-CG 3.3Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 3.5Å; L106-M109 WeakPolarHBondContact O-CB 3.4Å; L106-M109 PolarHBondContact O-N 3.05Å; Y107-M109 VanDerWaalsContact C-N 3.32Å; M109-A111 PolarHBondContact O-N 3.21Å; M109-H112 VanDerWaalsContact O-CB 3.28Å; M109-H112 WeakPolarHBondContact O-CB 3.08Å; M109-H112 PolarHBondContact O-N 2.78Å; M109-L115 HydrophobicContact CB-CD1 4.12Å; M109-L115 HydrophobicContact CE-CD1 3.98Å; M109-L115 WeakPolarHBondContact O-CD1 3.46Å
110	L	97.6	Very high	97.5	Very high	13 Å²	13	61.6 Å²	61.6	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-25	-176.7	-64.3	-178.5	0	0	0	112.8	I87 L106 Y107 H112 L120 I147	I87-L110 HydrophobicContact CD1-CD2 4.04Å; L106-L110 HydrophobicContact CD1-CD1 3.84Å; L106-L110 HydrophobicContact CD1-CD2 4.43Å; L106-L110 HydrophobicContact CD1-CG 3.94Å; L106-L110 HydrophobicContact CG-CD1 4.21Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 3.01Å; Y107-L110 PolarHBondContact O-N 3.25Å; L110-H112 PolarHBondContact O-N 2.97Å; L110-L120 HydrophobicContact CD1-CD2 4.3Å; L110-I147 HydrophobicContact CD1-CD1 3.68Å; L110-I147 HydrophobicContact CD1-CG1 4.03Å; L110-I147 HydrophobicContact CD1-CG2 4.09Å
111	A	97.2	Very high	97.5	Very high	87 Å²	87	58.9 Å²	58.9	72%	0.719	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.6	173.8	0	0	0	0	0	114.1	Y107 M109	Y107-A111 WeakPolarHBondContact O-CB 3.18Å; Y107-A111 PolarHBondContact O-N 3.07Å; M109-A111 PolarHBondContact O-N 3.21Å
112	H	98	Very high	97.5	Very high	56 Å²	56	56.6 Å²	56.6	26%	0.259	27%	0.268	S	S	.	.	S	Bend	trans	-77.6	133.6	-177.7	-162.3	-78.3	0	0	0	111.8	Y81 M109 L110 D114 L115	Y81-H112 HydrophobicContact CD2-CB 3.82Å; Y81-H112 AromaticContact CD2-CD2 3.83Å; Y81-H112 AromaticContact CD2-CG 3.51Å; Y81-H112 AromaticContact CD2-ND1 3.65Å; Y81-H112 HydrophobicContact CE2-CB 3.94Å; Y81-H112 AromaticContact CE2-CD2 3.98Å; Y81-H112 AromaticContact CE2-CG 3.89Å; M109-H112 VanDerWaalsContact O-CB 3.28Å; M109-H112 WeakPolarHBondContact O-CB 3.08Å; M109-H112 PolarHBondContact O-N 2.78Å; L110-H112 PolarHBondContact O-N 2.97Å; H112-D114 VanDerWaalsContact C-N 3.32Å; H112-D114 IonicContact CE1-OD2 2.65Å; H112-D114 PolarHBondContact CE1-OD2 2.88Å; H112-D114 PolarHBondContact ND1-N 3.17Å; H112-D114 IonicContact ND1-OD2 3.69Å; H112-D114 PolarHBondContact O-N 2.78Å; H112-L115 PolarHBondContact O-N 3.33Å
113	E	96.6	Very high	97.6	Very high	162 Å²	162	56.3 Å²	56.3	76%	0.757	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-59.3	-39.2	-172.6	62.4	-176.9	174.8	0	0	113.8	L115 R116	E113-L115 PolarHBondContact O-N 3.2Å; E113-R116 WeakPolarHBondContact O-CB 3.48Å; E113-R116 PolarHBondContact O-N 2.64Å
114	D	97.2	Very high	97.6	Very high	69 Å²	69	53.5 Å²	53.5	37%	0.369	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.9	-23.8	177.4	-73.7	-29	0	0	0	114	H112	H112-D114 VanDerWaalsContact C-N 3.32Å; H112-D114 IonicContact CE1-OD2 2.65Å; H112-D114 PolarHBondContact CE1-OD2 2.88Å; H112-D114 PolarHBondContact ND1-N 3.17Å; H112-D114 IonicContact ND1-OD2 3.69Å; H112-D114 PolarHBondContact O-N 2.78Å
115	L	97.8	Very high	97.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-96.6	-5	-177.6	-67.6	-178.8	0	0	0	113.3	I20 Y81 T84 I87 M109 H112 E113 K117 A118 H150	I20-L115 HydrophobicContact CD1-CD2 4.33Å; Y81-L115 HydrophobicContact CD1-CD1 3.7Å; Y81-L115 HydrophobicContact CD1-CD2 4.15Å; Y81-L115 HydrophobicContact CD1-CG 4.14Å; Y81-L115 HydrophobicContact CD2-CD1 3.73Å; Y81-L115 HydrophobicContact CD2-CG 3.97Å; Y81-L115 HydrophobicContact CE1-CD1 3.91Å; Y81-L115 HydrophobicContact CE2-CD1 3.94Å; Y81-L115 HydrophobicContact CG-CD1 3.64Å; Y81-L115 HydrophobicContact CG-CD2 4Å; Y81-L115 HydrophobicContact CG-CG 3.71Å; T84-L115 HydrophobicContact CG2-CD2 3.96Å; I87-L115 HydrophobicContact CD1-CB 4.32Å; I87-L115 HydrophobicContact CD1-CD1 3.84Å; I87-L115 HydrophobicContact CD1-CD2 4.09Å; I87-L115 HydrophobicContact CD1-CG 4.3Å; I87-L115 HydrophobicContact CG1-CD2 4.27Å; M109-L115 HydrophobicContact CB-CD1 4.12Å; M109-L115 HydrophobicContact CE-CD1 3.98Å; M109-L115 WeakPolarHBondContact O-CD1 3.46Å; H112-L115 PolarHBondContact O-N 3.33Å; E113-L115 PolarHBondContact O-N 3.2Å; L115-K117 PolarHBondContact O-N 2.94Å; L115-A118 HydrophobicContact CD2-CB 4.31Å; L115-A118 VanDerWaalsContact O-CB 3.27Å; L115-A118 WeakPolarHBondContact O-CB 3.28Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-H150 PolarHBondContact O-CE1 3.15Å
116	R	94.6	Very high	97.6	Very high	193 Å²	193	48.2 Å²	48.2	73%	0.728	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.3	-171.8	-173.5	175.6	177.2	-173.7	1.1	115.5	E113	E113-R116 WeakPolarHBondContact O-CB 3.48Å; E113-R116 PolarHBondContact O-N 2.64Å
117	K	92.7	Very high	97.6	Very high	188 Å²	188	50.7 Å²	50.7	82%	0.817	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-3.5	179.1	-62.9	-177.1	-177.9	176.8	0	114	L115	L115-K117 PolarHBondContact O-N 2.94Å
118	A	97.4	Very high	97.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.			trans	-74.1	140.9	-175.8	0	0	0	0	0	111.1	E85 I87 L115 H150	E85-A118 CarbonylContact O-C 3.54Å; E85-A118 VanDerWaalsContact O-CA 3.23Å; E85-A118 WeakPolarHBondContact O-CA 3.42Å; I87-A118 HydrophobicContact CD1-CB 3.91Å; I87-A118 HydrophobicContact CG1-CB 4Å; L115-A118 HydrophobicContact CD2-CB 4.31Å; L115-A118 VanDerWaalsContact O-CB 3.27Å; L115-A118 WeakPolarHBondContact O-CB 3.28Å; L115-A118 PolarHBondContact O-N 3.4Å; A118-H150 PolarHBondContact O-ND1 2.87Å
119	A	98.3	Very high	97.6	Very high	8 Å²	8	50.4 Å²	50.4	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	144.3	170.3	0	0	0	0	0	110.5	E85 F86 I87 P151 W171	E85-A119 PolarHBondContact O-N 3.14Å; F86-A119 CarbonylContact C-O 3.58Å; F86-A119 WeakPolarHBondContact CA-O 3.49Å; F86-A119 HydrophobicContact CD1-CB 3.77Å; F86-A119 HydrophobicContact CE1-CB 3.86Å; I87-A119 PolarHBondContact N-O 3.29Å; A119-P151 WeakPolarHBondContact CA-O 3.46Å; A119-P151 HydrophobicContact CB-CB 4.31Å; A119-W171 HydrophobicContact CB-CH2 3.95Å; A119-W171 HydrophobicContact CB-CZ3 4.42Å
120	L	98.7	Very high	97.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.1	-174.1	176.3	69	0	0	0	111.5	I87 L89 L106 L110 I122 I147 P151 W152 H153 W171	I87-L120 HydrophobicContact CB-CD1 3.94Å; I87-L120 HydrophobicContact CG2-CD1 3.75Å; L89-L120 HydrophobicContact CB-CD1 4.16Å; L106-L120 HydrophobicContact CD1-CD1 3.95Å; L106-L120 HydrophobicContact CD1-CD2 3.65Å; L106-L120 HydrophobicContact CD1-CG 4.47Å; L106-L120 HydrophobicContact CD2-CD2 4.45Å; L110-L120 HydrophobicContact CD1-CD2 4.3Å; L120-I122 HydrophobicContact CD1-CG1 4.47Å; L120-I122 HydrophobicContact CD2-CD1 3.72Å; L120-I122 HydrophobicContact CD2-CG1 4.21Å; L120-I122 HydrophobicContact CG-CD1 3.65Å; L120-I122 HydrophobicContact CG-CG1 4.1Å; L120-I147 HydrophobicContact CD2-CD1 4.05Å; L120-P151 PolarHBondContact N-O 3.16Å; L120-W152 HydrophobicContact CB-CB 3.99Å; L120-W152 HydrophobicContact CD2-CB 4.29Å; L120-W152 HydrophobicContact CG-CB 4.41Å; L120-W152 CarbonylContact O-C 3.59Å; L120-W152 WeakPolarHBondContact O-CA 3.41Å; L120-W152 WeakPolarHBondContact O-CB 3.26Å; L120-H153 PolarHBondContact O-N 2.7Å; L120-W171 WeakPolarHBondContact O-CH2 3.44Å
121	L	98.8	Very high	97.3	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.9	165.7	178	62	0	0	0	109.2	I87 I88 L89 F123 H153 Q155 W171 M172	I87-L121 PolarHBondContact O-N 2.87Å; I88-L121 CarbonylContact C-O 3.49Å; I88-L121 WeakPolarHBondContact CA-O 3.08Å; I88-L121 HydrophobicContact CG1-CB 4.38Å; I88-L121 HydrophobicContact CG1-CD2 4.31Å; L89-L121 PolarHBondContact N-O 2.86Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.35Å; L121-F123 HydrophobicContact CD2-CE2 3.65Å; L121-F123 HydrophobicContact CD2-CZ 3.7Å; L121-F123 HydrophobicContact CG-CE2 4.39Å; L121-H153 HydrophobicContact CD1-CB 4.22Å; L121-Q155 HydrophobicContact CD1-CB 4.41Å; L121-W171 HydrophobicContact CB-CE3 4.18Å; L121-W171 HydrophobicContact CB-CZ3 3.88Å; L121-W171 HydrophobicContact CD1-CE3 4.15Å; L121-M172 HydrophobicContact CB-CG 4.39Å; L121-M172 HydrophobicContact CB-SD 4.33Å; L121-M172 HydrophobicContact CD2-CG 3.97Å; L121-M172 HydrophobicContact CD2-SD 3.57Å; L121-M172 VanDerWaalsContact CD2-SD 3.57Å
122	I	98.9	Very high	97.3	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120	172.4	-53	88.2	0	0	0	108.4	L89 V91 L120 L144 W152 H153 I154 Q155	L89-I122 HydrophobicContact CB-CG1 4.43Å; L89-I122 HydrophobicContact CD2-CG1 4.45Å; L89-I122 HydrophobicContact CD2-CG2 4.47Å; L89-I122 CarbonylContact O-C 3.59Å; L89-I122 WeakPolarHBondContact O-CA 3.27Å; V91-I122 HydrophobicContact CG2-CG2 3.96Å; L120-I122 HydrophobicContact CD1-CG1 4.47Å; L120-I122 HydrophobicContact CD2-CD1 3.72Å; L120-I122 HydrophobicContact CD2-CG1 4.21Å; L120-I122 HydrophobicContact CG-CD1 3.65Å; L120-I122 HydrophobicContact CG-CG1 4.1Å; I122-L144 HydrophobicContact CD1-CD1 3.78Å; I122-L144 HydrophobicContact CD1-CD2 4.27Å; I122-L144 HydrophobicContact CG1-CD1 4.19Å; I122-L144 HydrophobicContact CG1-CD2 4.48Å; I122-W152 HydrophobicContact CD1-CB 4.38Å; I122-W152 HydrophobicContact CD1-CE3 4.44Å; I122-H153 VanDerWaalsContact CD1-O 3.22Å; I122-H153 WeakPolarHBondContact CD1-O 3.2Å; I122-H153 PolarHBondContact N-O 3.05Å; I122-I154 HydrophobicContact CB-CB 4.18Å; I122-I154 HydrophobicContact CB-CD1 4.32Å; I122-I154 HydrophobicContact CB-CG1 3.97Å; I122-I154 HydrophobicContact CG2-CD1 4.03Å; I122-I154 HydrophobicContact CG2-CG1 4.09Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.42Å; I122-Q155 PolarHBondContact O-N 2.83Å
123	F	98.9	Very high	97.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.6	166.7	-82.8	-53.7	0	0	0	109.7	I32 F36 I88 L89 V91 L121 N125 Q155 C157 L165	I32-F123 HydrophobicContact CD1-CB 4.17Å; I32-F123 HydrophobicContact CD1-CD2 4Å; I32-F123 HydrophobicContact CD1-CG 4.22Å; I32-F123 HydrophobicContact CG2-CD2 4.46Å; I32-F123 HydrophobicContact CG2-CE2 4.29Å; F36-F123 HydrophobicContact CZ-CE2 4.02Å; F36-F123 HydrophobicContact CZ-CZ 4.12Å; I88-F123 HydrophobicContact CG2-CD2 3.57Å; I88-F123 HydrophobicContact CG2-CE2 4Å; L89-F123 PolarHBondContact O-N 2.87Å; V91-F123 PolarHBondContact N-O 3.27Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.35Å; L121-F123 HydrophobicContact CD2-CE2 3.65Å; L121-F123 HydrophobicContact CD2-CZ 3.7Å; L121-F123 HydrophobicContact CG-CE2 4.39Å; F123-N125 VanDerWaalsContact C-N 3.32Å; F123-N125 PolarHBondContact O-N 3.22Å; F123-N125 VanDerWaalsContact O-N 3.14Å; F123-Q155 WeakPolarHBondContact CA-O 3.21Å; F123-Q155 HydrophobicContact CD1-CB 3.97Å; F123-Q155 HydrophobicContact CD1-CG 4.18Å; F123-Q155 HydrophobicContact CE1-CB 4.01Å; F123-Q155 HydrophobicContact CE1-CG 3.9Å; F123-C157 HydrophobicContact CD1-CB 3.86Å; F123-C157 WeakPolarHBondContact CD1-SG 3.2Å; F123-C157 HydrophobicContact CE1-CB 4.28Å; F123-L165 HydrophobicContact CD1-CD2 4.09Å; F123-L165 HydrophobicContact CD2-CD2 4.5Å; F123-L165 HydrophobicContact CE1-CD2 3.79Å; F123-L165 HydrophobicContact CE2-CD2 4.23Å; F123-L165 HydrophobicContact CG-CD2 4.45Å; F123-L165 HydrophobicContact CZ-CD2 3.86Å
124	A	98.8	Very high	97.5	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	86.8	165	0	0	0	0	0	107.5	S93 Q127 A135 I138 I154 Q155 C157	S93-A124 VanDerWaalsContact OG-C 3.26Å; A124-Q127 WeakPolarHBondContact O-CG 3.48Å; A124-A135 HydrophobicContact CB-CB 4.21Å; A124-I138 HydrophobicContact CB-CD1 3.54Å; A124-I154 HydrophobicContact CB-CD1 4.48Å; A124-I154 HydrophobicContact CB-CG1 4.45Å; A124-Q155 PolarHBondContact N-O 3.37Å; A124-C157 PolarHBondContact O-N 3.33Å
125	N	98.8	Very high	97.5	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	163.5	-170	-169.9	31.7	0	0	0	112.3	A27 V90 V91 S93 F123 C157 A159	A27-N125 PolarHBondContact O-ND2 2.79Å; V90-N125 HydrophobicContact CG1-CB 3.88Å; V91-N125 WeakPolarHBondContact O-CB 3.27Å; V91-N125 PolarHBondContact O-N 2.77Å; S93-N125 WeakPolarHBondContact CB-O 3.36Å; S93-N125 PolarHBondContact N-O 3.12Å; S93-N125 PolarHBondContact OG-N 3.46Å; S93-N125 PolarHBondContact OG-O 2.92Å; F123-N125 VanDerWaalsContact C-N 3.32Å; F123-N125 PolarHBondContact O-N 3.22Å; F123-N125 VanDerWaalsContact O-N 3.14Å; N125-C157 CarbonylContact C-O 3.54Å; N125-C157 WeakPolarHBondContact CA-O 3.35Å; N125-C157 VanDerWaalsContact CA-SG 3.59Å; N125-A159 WeakPolarHBondContact OD1-CB 3.46Å; N125-A159 PolarHBondContact OD1-N 2.82Å
126	K	98.4	Very high	97.6	Very high	39 Å²	39	55.9 Å²	55.9	17%	0.17	28%	0.279	C	S	.	.			trans	67.4	36.7	-177.6	-45.9	-167.6	-169	173.7	0	113.9	N26 D92 T94 D128 M129 C157	N26-K126 WeakPolarHBondContact O-CE 3.37Å; N26-K126 PolarHBondContact O-NZ 3.22Å; D92-K126 WeakPolarHBondContact OD1-CD 3.44Å; D92-K126 IonicContact OD1-NZ 3.11Å; D92-K126 VanDerWaalsContact OD2-CE 3.3Å; D92-K126 WeakPolarHBondContact OD2-CE 3.46Å; D92-K126 IonicContact OD2-NZ 3.35Å; D92-K126 PolarHBondContact OD2-NZ 3.41Å; T94-K126 HydrophobicContact CG2-CB 4.38Å; K126-D128 VanDerWaalsContact C-OD1 3.28Å; K126-D128 VanDerWaalsContact CA-OD1 3.27Å; K126-D128 WeakPolarHBondContact CA-OD1 3.26Å; K126-D128 PolarHBondContact O-N 2.86Å; K126-M129 HydrophobicContact CB-CG 4.08Å; K126-M129 WeakPolarHBondContact O-CB 3.39Å; K126-M129 PolarHBondContact O-N 3.27Å; K126-C157 PolarHBondContact N-O 3.14Å
127	Q	98.5	Very high	97.8	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.257	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.5	177.5	-65.2	-76.4	-72.7	0	0	113.4	S93 A124 M129 M133 S156 C157	S93-Q127 PolarHBondContact OG-NE2 3.01Å; A124-Q127 WeakPolarHBondContact O-CG 3.48Å; Q127-M129 VanDerWaalsContact C-N 3.25Å; Q127-M133 PolarHBondContact NE2-O 3.18Å; Q127-S156 PolarHBondContact OE1-OG 3.23Å; Q127-C157 WeakPolarHBondContact CG-O 3.49Å; Q127-C157 PolarHBondContact N-O 3.39Å
128	D	97.4	Very high	98	Very high	85 Å²	85	41.7 Å²	41.7	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.9	170.9	56.8	-65.7	0	0	0	113.3	K126 C158	K126-D128 VanDerWaalsContact C-OD1 3.28Å; K126-D128 VanDerWaalsContact CA-OD1 3.27Å; K126-D128 WeakPolarHBondContact CA-OD1 3.26Å; K126-D128 PolarHBondContact O-N 2.86Å; D128-C158 HydrophobicContact CB-CB 4.46Å; D128-C158 VanDerWaalsContact CG-SG 3.5Å; D128-C158 PolarHBondContact OD1-SG 3.29Å
129	M	97.6	Very high	98.1	Very high	98 Å²	98	42.8 Å²	42.8	48%	0.483	23%	0.232	S	C	.	.	S	Bend	trans	-82.8	142.1	-176.9	-63.2	-66.9	-72.7	0	0	111.9	T94 K126 Q127 C132	T94-M129 HydrophobicContact CG2-CB 3.42Å; T94-M129 VanDerWaalsContact CG2-CB 3.42Å; T94-M129 HydrophobicContact CG2-CG 3.79Å; K126-M129 HydrophobicContact CB-CG 4.08Å; K126-M129 WeakPolarHBondContact O-CB 3.39Å; K126-M129 PolarHBondContact O-N 3.27Å; Q127-M129 VanDerWaalsContact C-N 3.25Å; M129-C132 WeakPolarHBondContact O-CB 3.34Å; M129-C132 PolarHBondContact O-SG 3.47Å
130	K	95.3	Very high	98.1	Very high	192 Å²	192	50.7 Å²	50.7	84%	0.835	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	147	173	-65.9	-175.5	-179.1	-179	0	110.9	C132	K130-C132 PolarHBondContact O-N 3.25Å
131	D	93.9	Very high	98.1	Very high	147 Å²	147	55.7 Å²	55.7	79%	0.786	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	13.4	177.3	-52.7	-47.2	0	0	0	115.5	R96	R96-D131 PolarHBondContact NH2-O 2.89Å; R96-D131 VanDerWaalsContact NH2-O 3.15Å
132	C	97.7	Very high	98.1	Very high	26 Å²	26	55.7 Å²	55.7	18%	0.176	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-61.6	150.9	173.2	70	0	0	0	0	111.2	S93 T94 M129 K130	S93-C132 CarbonylContact O-C 3.55Å; S93-C132 WeakPolarHBondContact O-CA 2.84Å; T94-C132 HydrophobicContact CG2-CB 4.13Å; M129-C132 WeakPolarHBondContact O-CB 3.34Å; M129-C132 PolarHBondContact O-SG 3.47Å; K130-C132 PolarHBondContact O-N 3.25Å
133	M	98.7	Very high	98.1	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.03	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.9	133.2	171.9	-69	175.3	-77.5	0	0	110.2	S93 R96 L99 Q127 E137 I138	S93-M133 WeakPolarHBondContact CB-O 3.34Å; S93-M133 WeakPolarHBondContact O-CB 3.43Å; S93-M133 VanDerWaalsContact O-CE 3.25Å; S93-M133 WeakPolarHBondContact O-CE 3.42Å; S93-M133 PolarHBondContact O-N 2.99Å; R96-M133 HydrophobicContact CB-CE 4.38Å; R96-M133 HydrophobicContact CB-SD 4.39Å; R96-M133 HydrophobicContact CG-CE 3.82Å; R96-M133 HydrophobicContact CG-CG 3.86Å; R96-M133 HydrophobicContact CG-SD 3.71Å; R96-M133 VanDerWaalsContact NH1-CG 3.31Å; L99-M133 HydrophobicContact CD2-CE 4.05Å; L99-M133 HydrophobicContact CD2-SD 3.59Å; L99-M133 VanDerWaalsContact CD2-SD 3.59Å; Q127-M133 PolarHBondContact NE2-O 3.18Å; M133-E137 HydrophobicContact CB-CB 4.25Å; M133-I138 HydrophobicContact CB-CD1 3.96Å; M133-I138 HydrophobicContact CB-CG1 3.69Å; M133-I138 HydrophobicContact CE-CG1 4.38Å; M133-I138 HydrophobicContact SD-CG1 4.15Å
134	S	98.5	Very high	98	Very high	44 Å²	44	57.9 Å²	57.9	31%	0.308	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-63.9	156.5	165.9	62.1	0	0	0	0	111.3	A136 E137 I138	S134-A136 PolarHBondContact O-N 3.43Å; S134-A136 VanDerWaalsContact O-N 3.15Å; S134-E137 WeakPolarHBondContact CB-OE2 3.33Å; S134-E137 PolarHBondContact N-OE2 3.37Å; S134-E137 PolarHBondContact O-N 3.42Å; S134-E137 VanDerWaalsContact O-N 3.09Å; S134-E137 WeakPolarHBondContact OG-CG 3.29Å; S134-E137 PolarHBondContact OG-N 2.87Å; S134-E137 PolarHBondContact OG-OE2 2.85Å; S134-I138 PolarHBondContact O-N 3.14Å
135	A	98.4	Very high	98	Very high	16 Å²	16	61.9 Å²	61.9	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-54.2	-32.9	170.5	0	0	0	0	0	112.4	A124 S139 I154 S156	A124-A135 HydrophobicContact CB-CB 4.21Å; A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.15Å; A135-I154 HydrophobicContact CB-CD1 4.18Å; A135-I154 HydrophobicContact CB-CG1 4.06Å; A135-I154 WeakPolarHBondContact O-CD1 3.42Å; A135-S156 WeakPolarHBondContact CB-OG 3.3Å
136	A	98.6	Very high	97.9	Very high	73 Å²	73	65 Å²	65	60%	0.603	35%	0.347	S	S	*	.	H	α-helix	trans	-67.4	-42.7	176.9	0	0	0	0	0	112.6	S134 S139 K140	S134-A136 PolarHBondContact O-N 3.43Å; S134-A136 VanDerWaalsContact O-N 3.15Å; A136-S139 PolarHBondContact O-N 3.21Å; A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 PolarHBondContact O-N 2.99Å
137	E	98.5	Very high	97.9	Very high	82 Å²	82	63.4 Å²	63.4	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-46.7	174.6	-75.8	166.4	99.5	0	0	111.4	R96 M133 S134 K140 Y141	R96-E137 IonicContact CZ-OE1 3.76Å; R96-E137 IonicContact NH1-OE1 2.69Å; R96-E137 PolarHBondContact NH1-OE1 3.1Å; R96-E137 IonicContact NH2-OE1 3.08Å; R96-E137 PolarHBondContact NH2-OE1 3.27Å; M133-E137 HydrophobicContact CB-CB 4.25Å; S134-E137 WeakPolarHBondContact CB-OE2 3.33Å; S134-E137 PolarHBondContact N-OE2 3.37Å; S134-E137 PolarHBondContact O-N 3.42Å; S134-E137 VanDerWaalsContact O-N 3.09Å; S134-E137 WeakPolarHBondContact OG-CG 3.29Å; S134-E137 PolarHBondContact OG-N 2.87Å; S134-E137 PolarHBondContact OG-OE2 2.85Å; E137-K140 PolarHBondContact O-N 3.36Å; E137-Y141 WeakPolarHBondContact O-CB 3.18Å; E137-Y141 PolarHBondContact O-N 2.98Å
138	I	98.8	Very high	97.8	Very high	0 Å²	0	69 Å²	69	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-47.4	177.5	-67.8	165.3	0	0	0	110.1	V91 L99 A124 M133 S134 K140 Y141 L142 I154	V91-I138 HydrophobicContact CG1-CD1 4.14Å; V91-I138 HydrophobicContact CG1-CG1 4.5Å; V91-I138 HydrophobicContact CG1-CG2 4.21Å; L99-I138 HydrophobicContact CD1-CG2 4.47Å; A124-I138 HydrophobicContact CB-CD1 3.54Å; M133-I138 HydrophobicContact CB-CD1 3.96Å; M133-I138 HydrophobicContact CB-CG1 3.69Å; M133-I138 HydrophobicContact CE-CG1 4.38Å; M133-I138 HydrophobicContact SD-CG1 4.15Å; S134-I138 PolarHBondContact O-N 3.14Å; I138-K140 VanDerWaalsContact C-N 3.32Å; I138-K140 PolarHBondContact O-N 3.32Å; I138-Y141 PolarHBondContact O-N 3.47Å; I138-L142 HydrophobicContact CG2-CD1 3.63Å; I138-L142 HydrophobicContact CG2-CG 4.06Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 2.98Å; I138-I154 HydrophobicContact CB-CD1 4.07Å; I138-I154 HydrophobicContact CG2-CD1 3.8Å
139	S	98.7	Very high	97.7	Very high	24 Å²	24	70.3 Å²	70.3	17%	0.168	37%	0.372	C	S	.	.	H	α-helix	trans	-57.1	-45	178.2	-178	0	0	0	0	112.2	A135 A136 T143 L144	A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.15Å; A136-S139 PolarHBondContact O-N 3.21Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 VanDerWaalsContact O-N 3.13Å; S139-L144 PolarHBondContact O-N 2.99Å
140	K	98.6	Very high	97.7	Very high	174 Å²	174	66 Å²	66	76%	0.757	35%	0.35	S	S	*	.	H	α-helix	trans	-63.4	-46.1	176.9	-175.9	179.5	178.8	-177.8	0	111.5	A136 E137 I138 T143	A136-K140 WeakPolarHBondContact O-CB 3.48Å; A136-K140 PolarHBondContact O-N 2.99Å; E137-K140 PolarHBondContact O-N 3.36Å; I138-K140 VanDerWaalsContact C-N 3.32Å; I138-K140 PolarHBondContact O-N 3.32Å; K140-T143 PolarHBondContact O-N 3.22Å
141	Y	98.6	Very high	97.8	Very high	105 Å²	105	59.7 Å²	59.7	41%	0.412	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-47.6	-177.4	-170.7	-77.7	0	0	0	112.3	L99 K103 E137 I138 T143	L99-Y141 HydrophobicContact CB-CD1 4.14Å; L99-Y141 HydrophobicContact CB-CE1 3.9Å; L99-Y141 HydrophobicContact CD2-CD1 3.37Å; L99-Y141 HydrophobicContact CD2-CD2 4.04Å; L99-Y141 HydrophobicContact CD2-CE1 3.98Å; L99-Y141 HydrophobicContact CD2-CG 3.41Å; L99-Y141 VanDerWaalsContact CD2-CG 3.41Å; L99-Y141 HydrophobicContact CG-CD1 3.46Å; L99-Y141 VanDerWaalsContact CG-CD1 3.46Å; L99-Y141 HydrophobicContact CG-CE1 3.73Å; L99-Y141 HydrophobicContact CG-CG 4.06Å; K103-Y141 PolarHBondContact NZ-O 3.24Å; E137-Y141 WeakPolarHBondContact O-CB 3.18Å; E137-Y141 PolarHBondContact O-N 2.98Å; I138-Y141 PolarHBondContact O-N 3.47Å; Y141-T143 PolarHBondContact O-N 3.45Å; Y141-T143 VanDerWaalsContact O-N 3.13Å
142	L	98.6	Very high	98.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-4	175.3	-61.8	-175.7	0	0	0	112.8	L89 V91 L99 K103 L106 Y107 I138 L144	L89-L142 HydrophobicContact CD2-CD1 4.39Å; V91-L142 HydrophobicContact CG2-CD1 4.29Å; L99-L142 HydrophobicContact CD1-CD2 3.91Å; L99-L142 HydrophobicContact CD1-CG 4.35Å; L99-L142 HydrophobicContact CG-CD2 4.14Å; K103-L142 HydrophobicContact CB-CD2 3.74Å; K103-L142 HydrophobicContact CG-CD2 4.34Å; L106-L142 HydrophobicContact CD2-CD1 4.5Å; Y107-L142 VanDerWaalsContact CE2-O 3.3Å; Y107-L142 WeakPolarHBondContact CE2-O 3.39Å; Y107-L142 PolarHBondContact OH-O 3.03Å; I138-L142 HydrophobicContact CG2-CD1 3.63Å; I138-L142 HydrophobicContact CG2-CG 4.06Å; I138-L142 WeakPolarHBondContact O-CB 3.46Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 2.98Å; L142-L144 HydrophobicContact CB-CD2 3.7Å; L142-L144 HydrophobicContact CB-CG 3.98Å; L142-L144 HydrophobicContact CD1-CD2 4.25Å; L142-L144 PolarHBondContact O-N 3.04Å
143	T	98.3	Very high	98.1	Very high	47 Å²	47	57.8 Å²	57.8	29%	0.288	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	38.6	-178.6	50.2	0	0	0	0	112.6	K103 Y107 S139 K140 Y141 S145 S146	K103-T143 VanDerWaalsContact CE-OG1 3.31Å; K103-T143 WeakPolarHBondContact CE-OG1 3.44Å; K103-T143 PolarHBondContact NZ-OG1 2.89Å; K103-T143 VanDerWaalsContact NZ-OG1 3.15Å; Y107-T143 PolarHBondContact OH-O 2.99Å; Y107-T143 VanDerWaalsContact OH-O 3.09Å; Y107-T143 PolarHBondContact OH-OG1 3.46Å; S139-T143 PolarHBondContact O-N 3.49Å; S139-T143 VanDerWaalsContact O-N 3.13Å; K140-T143 PolarHBondContact O-N 3.22Å; Y141-T143 PolarHBondContact O-N 3.45Å; Y141-T143 VanDerWaalsContact O-N 3.13Å; T143-S145 PolarHBondContact O-N 3.17Å; T143-S146 PolarHBondContact O-N 3.25Å; T143-S146 PolarHBondContact O-OG 3.27Å
144	L	98.4	Very high	98.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-56.1	-29.7	-173.2	-59.8	-176.5	0	0	0	113.2	L106 I122 S139 L142 S146 I147 W152 I154	L106-L144 HydrophobicContact CD2-CD2 3.85Å; I122-L144 HydrophobicContact CD1-CD1 3.78Å; I122-L144 HydrophobicContact CD1-CD2 4.27Å; I122-L144 HydrophobicContact CG1-CD1 4.19Å; I122-L144 HydrophobicContact CG1-CD2 4.48Å; S139-L144 PolarHBondContact O-N 2.99Å; L142-L144 HydrophobicContact CB-CD2 3.7Å; L142-L144 HydrophobicContact CB-CG 3.98Å; L142-L144 HydrophobicContact CD1-CD2 4.25Å; L142-L144 PolarHBondContact O-N 3.04Å; L144-S146 PolarHBondContact O-N 3.19Å; L144-S146 VanDerWaalsContact O-N 3.14Å; L144-I147 HydrophobicContact CD2-CD1 3.81Å; L144-I147 WeakPolarHBondContact O-CB 3.44Å; L144-I147 PolarHBondContact O-N 2.62Å; L144-W152 HydrophobicContact CB-CD2 4.21Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 3.9Å; L144-W152 HydrophobicContact CB-CZ2 3.91Å; L144-W152 HydrophobicContact CB-CZ3 4.01Å; L144-W152 HydrophobicContact CD1-CE3 4.03Å; L144-W152 HydrophobicContact CD1-CZ3 3.96Å; L144-W152 PolarHBondContact O-NE1 3.16Å; L144-I154 HydrophobicContact CD1-CB 4.2Å; L144-I154 HydrophobicContact CD1-CD1 4.07Å
145	S	97.8	Very high	98.1	Very high	83 Å²	83	58.3 Å²	58.3	58%	0.58	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-58.8	-21.7	174.8	66.9	0	0	0	0	115.1	T143 K148	T143-S145 PolarHBondContact O-N 3.17Å; S145-K148 WeakPolarHBondContact O-CE 3.4Å; S145-K148 PolarHBondContact O-NZ 3.2Å
146	S	97.6	Very high	98.1	Very high	68 Å²	68	59.5 Å²	59.5	48%	0.476	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-82	-13.2	175.2	60.5	0	0	0	0	113.7	Y107 T143 L144 K148	Y107-S146 PolarHBondContact OH-OG 2.86Å; Y107-S146 VanDerWaalsContact OH-OG 3.12Å; T143-S146 PolarHBondContact O-N 3.25Å; T143-S146 PolarHBondContact O-OG 3.27Å; L144-S146 PolarHBondContact O-N 3.19Å; L144-S146 VanDerWaalsContact O-N 3.14Å; S146-K148 PolarHBondContact O-N 2.86Å
147	I	98	Very high	98.1	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.036	29%	0.287	C	S	.	.			trans	-76.1	114.9	174.4	-55.9	167.6	0	0	0	107.6	L106 Y107 L110 L120 L144 H150	L106-I147 HydrophobicContact CD2-CD1 4.36Å; Y107-I147 HydrophobicContact CE1-CG1 4.22Å; L110-I147 HydrophobicContact CD1-CD1 3.68Å; L110-I147 HydrophobicContact CD1-CG1 4.03Å; L110-I147 HydrophobicContact CD1-CG2 4.09Å; L120-I147 HydrophobicContact CD2-CD1 4.05Å; L144-I147 HydrophobicContact CD2-CD1 3.81Å; L144-I147 WeakPolarHBondContact O-CB 3.44Å; L144-I147 PolarHBondContact O-N 2.62Å; I147-H150 HydrophobicContact CG2-CB 3.86Å
148	K	96.5	Very high	98.1	Very high	173 Å²	173	52.4 Å²	52.4	75%	0.752	27%	0.27	S	S	*	.			trans	-119.3	-21.6	-175	-61.1	-56.2	-176.8	-165.9	0	113.5	S145 S146	S145-K148 WeakPolarHBondContact O-CE 3.4Å; S145-K148 PolarHBondContact O-NZ 3.2Å; S146-K148 PolarHBondContact O-N 2.86Å
149	D	95.8	Very high	98	Very high	112 Å²	112	52.6 Å²	52.6	60%	0.599	27%	0.271	S	S	*	.	S	Bend	trans	-90.1	-16.2	-176.9	46.6	-11.1	0	0	0	113.3
150	H	97.4	Very high	97.9	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.032	29%	0.286	C	S	.	.	S	Bend	trans	-119.6	133.5	174.9	-60	-99.9	0	0	0	111.6	L115 A118 I147 W152	L115-H150 PolarHBondContact O-CE1 3.15Å; A118-H150 PolarHBondContact O-ND1 2.87Å; I147-H150 HydrophobicContact CG2-CB 3.86Å; H150-W152 PolarHBondContact O-N 3.05Å
151	P	97.6	Very high	97.7	Very high	60 Å²	60	51.8 Å²	51.8	39%	0.39	28%	0.276	S	S	.	.			trans	-61.7	133.8	162.3	-16.2	29.8	0	0	0	109.2	A119 L120	A119-P151 WeakPolarHBondContact CA-O 3.46Å; A119-P151 HydrophobicContact CB-CB 4.31Å; L120-P151 PolarHBondContact N-O 3.16Å
152	W	98.5	Very high	97.5	Very high	79 Å²	79	47.6 Å²	47.6	30%	0.299	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.3	178.4	64.9	-95.7	0	0	0	113.5	L120 I122 L144 H150 I154	L120-W152 HydrophobicContact CB-CB 3.99Å; L120-W152 HydrophobicContact CD2-CB 4.29Å; L120-W152 HydrophobicContact CG-CB 4.41Å; L120-W152 CarbonylContact O-C 3.59Å; L120-W152 WeakPolarHBondContact O-CA 3.41Å; L120-W152 WeakPolarHBondContact O-CB 3.26Å; I122-W152 HydrophobicContact CD1-CB 4.38Å; I122-W152 HydrophobicContact CD1-CE3 4.44Å; L144-W152 HydrophobicContact CB-CD2 4.21Å; L144-W152 HydrophobicContact CB-CE3 4.16Å; L144-W152 HydrophobicContact CB-CH2 3.9Å; L144-W152 HydrophobicContact CB-CZ2 3.91Å; L144-W152 HydrophobicContact CB-CZ3 4.01Å; L144-W152 HydrophobicContact CD1-CE3 4.03Å; L144-W152 HydrophobicContact CD1-CZ3 3.96Å; L144-W152 PolarHBondContact O-NE1 3.16Å; H150-W152 PolarHBondContact O-N 3.05Å; W152-I154 HydrophobicContact CZ3-CG2 4.15Å
153	H	98.6	Very high	97.4	Very high	54 Å²	54	54.4 Å²	54.4	25%	0.25	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.3	171.3	-179.9	61.1	0	0	0	109.9	L120 L121 I122 Q155 W171	L120-H153 PolarHBondContact O-N 2.7Å; L121-H153 HydrophobicContact CD1-CB 4.22Å; I122-H153 VanDerWaalsContact CD1-O 3.22Å; I122-H153 WeakPolarHBondContact CD1-O 3.2Å; I122-H153 PolarHBondContact N-O 3.05Å; H153-Q155 PolarHBondContact NE2-OE1 2.97Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.17Å; H153-W171 HydrophobicContact CB-CD2 3.45Å; H153-W171 VanDerWaalsContact CB-CD2 3.45Å; H153-W171 HydrophobicContact CB-CE3 3.97Å; H153-W171 HydrophobicContact CB-CG 3.74Å; H153-W171 HydrophobicContact CB-CH2 4.22Å; H153-W171 HydrophobicContact CB-CZ2 3.73Å; H153-W171 HydrophobicContact CB-CZ3 4.33Å; H153-W171 AromaticContact CG-CD1 3.9Å; H153-W171 AromaticContact CG-CG 3.93Å
154	I	98.8	Very high	97.4	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.128	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.2	171.9	-173.6	164.1	0	0	0	109.5	I122 A124 A135 I138 L144 W152	I122-I154 HydrophobicContact CB-CB 4.18Å; I122-I154 HydrophobicContact CB-CD1 4.32Å; I122-I154 HydrophobicContact CB-CG1 3.97Å; I122-I154 HydrophobicContact CG2-CD1 4.03Å; I122-I154 HydrophobicContact CG2-CG1 4.09Å; I122-I154 CarbonylContact O-C 3.54Å; I122-I154 WeakPolarHBondContact O-CA 3.42Å; A124-I154 HydrophobicContact CB-CD1 4.48Å; A124-I154 HydrophobicContact CB-CG1 4.45Å; A135-I154 HydrophobicContact CB-CD1 4.18Å; A135-I154 HydrophobicContact CB-CG1 4.06Å; A135-I154 WeakPolarHBondContact O-CD1 3.42Å; I138-I154 HydrophobicContact CB-CD1 4.07Å; I138-I154 HydrophobicContact CG2-CD1 3.8Å; L144-I154 HydrophobicContact CD1-CB 4.2Å; L144-I154 HydrophobicContact CD1-CD1 4.07Å; W152-I154 HydrophobicContact CZ3-CG2 4.15Å
155	Q	98.8	Very high	97.3	Very high	36 Å²	36	52.5 Å²	52.5	17%	0.168	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.5	-175.1	-175.8	55.9	57.9	0	0	109.7	L121 I122 F123 A124 H153 G164 Q167	L121-Q155 HydrophobicContact CD1-CB 4.41Å; I122-Q155 PolarHBondContact O-N 2.83Å; F123-Q155 WeakPolarHBondContact CA-O 3.21Å; F123-Q155 HydrophobicContact CD1-CB 3.97Å; F123-Q155 HydrophobicContact CD1-CG 4.18Å; F123-Q155 HydrophobicContact CE1-CB 4.01Å; F123-Q155 HydrophobicContact CE1-CG 3.9Å; A124-Q155 PolarHBondContact N-O 3.37Å; H153-Q155 PolarHBondContact NE2-OE1 2.97Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.17Å; Q155-G164 WeakPolarHBondContact CG-O 2.95Å; Q155-Q167 HydrophobicContact CG-CB 4.41Å
156	S	98.7	Very high	97.1	Very high	40 Å²	40	52 Å²	52	28%	0.28	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133	165	-78.9	0	0	0	0	109.1	Q127 A135 G164	Q127-S156 PolarHBondContact OE1-OG 3.23Å; A135-S156 WeakPolarHBondContact CB-OG 3.3Å; S156-G164 WeakPolarHBondContact O-CA 3.14Å
157	C	98.6	Very high	97	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.02	28%	0.279	C	S	.	.			trans	-149.9	165.1	177.1	70.7	0	0	0	0	113.9	F123 A124 N125 K126 Q127 E163 L165	F123-C157 HydrophobicContact CD1-CB 3.86Å; F123-C157 WeakPolarHBondContact CD1-SG 3.2Å; F123-C157 HydrophobicContact CE1-CB 4.28Å; A124-C157 PolarHBondContact O-N 3.33Å; N125-C157 CarbonylContact C-O 3.54Å; N125-C157 WeakPolarHBondContact CA-O 3.35Å; N125-C157 VanDerWaalsContact CA-SG 3.59Å; K126-C157 PolarHBondContact N-O 3.14Å; Q127-C157 WeakPolarHBondContact CG-O 3.49Å; Q127-C157 PolarHBondContact N-O 3.39Å; C157-E163 CarbonylContact C-O 3.52Å; C157-E163 WeakPolarHBondContact CA-O 3.15Å; C157-E163 WeakPolarHBondContact CB-O 3.46Å; C157-L165 HydrophobicContact CB-CD2 3.64Å; C157-L165 HydrophobicContact CB-CG 4.37Å
158	C	98.1	Very high	97	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.027	28%	0.277	C	S	.	.			trans	-126.9	112.3	165.3	175.6	0	0	0	0	109	D128 L160 T161 G162 E163	D128-C158 HydrophobicContact CB-CB 4.46Å; D128-C158 VanDerWaalsContact CG-SG 3.5Å; D128-C158 PolarHBondContact OD1-SG 3.29Å; C158-L160 PolarHBondContact O-N 2.63Å; C158-T161 WeakPolarHBondContact CB-OG1 3.2Å; C158-T161 PolarHBondContact O-N 3.14Å; C158-G162 WeakPolarHBondContact O-CA 3.28Å; C158-G162 PolarHBondContact O-N 2.95Å; C158-E163 PolarHBondContact N-O 3.42Å
159	A	96.9	Very high	96.9	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.1	178.9	0	0	0	0	0	113.4	T31 I32 Q35 N125	T31-A159 HydrophobicContact CG2-CB 3.78Å; I32-A159 HydrophobicContact CD1-CB 4.44Å; I32-A159 HydrophobicContact CG1-CB 3.57Å; Q35-A159 PolarHBondContact OE1-O 2.98Å; N125-A159 WeakPolarHBondContact OD1-CB 3.46Å; N125-A159 PolarHBondContact OD1-N 2.82Å
160	L	94.9	Very high	96.8	Very high	90 Å²	90	44.2 Å²	44.2	47%	0.471	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.7	-179.7	-57.4	178.1	0	0	0	113	T31 V41 C158	T31-L160 HydrophobicContact CG2-CD2 4.07Å; V41-L160 HydrophobicContact CG1-CD2 3.58Å; V41-L160 HydrophobicContact CG2-CB 4.39Å; V41-L160 WeakPolarHBondContact CG2-O 3.46Å; C158-L160 PolarHBondContact O-N 2.63Å
161	T	94.4	Very high	96.7	Very high	90 Å²	90	45.3 Å²	45.3	55%	0.552	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-15.4	178.5	65	0	0	0	0	112.4	C158 E163	C158-T161 WeakPolarHBondContact CB-OG1 3.2Å; C158-T161 PolarHBondContact O-N 3.14Å; T161-E163 PolarHBondContact O-N 2.91Å; T161-E163 WeakPolarHBondContact OG1-CB 3.37Å; T161-E163 PolarHBondContact OG1-N 3.37Å
162	G	95.1	Very high	96.6	Very high	17 Å²	17	42.5 Å²	42.5	18%	0.175	22%	0.222	C	C	.	.			trans	77.6	-2.4	-170.7	0	0	0	0	0	113.9	C158 G164 L165	C158-G162 WeakPolarHBondContact O-CA 3.28Å; C158-G162 PolarHBondContact O-N 2.95Å; G162-G164 PolarHBondContact O-N 3.04Å; G162-L165 WeakPolarHBondContact O-CB 3.42Å; G162-L165 PolarHBondContact O-N 3.07Å
163	E	96.9	Very high	96.3	Very high	143 Å²	143	39.8 Å²	39.8	67%	0.668	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	134.4	178.9	-172.3	178.4	-179.7	0	0	110.8	C157 C158 T161 L165	C157-E163 CarbonylContact C-O 3.52Å; C157-E163 WeakPolarHBondContact CA-O 3.15Å; C157-E163 WeakPolarHBondContact CB-O 3.46Å; C158-E163 PolarHBondContact N-O 3.42Å; T161-E163 PolarHBondContact O-N 2.91Å; T161-E163 WeakPolarHBondContact OG1-CB 3.37Å; T161-E163 PolarHBondContact OG1-N 3.37Å; E163-L165 PolarHBondContact O-N 3.27Å
164	G	97.4	Very high	96	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-20	179.7	0	0	0	0	0	114.8	Q155 S156 G162 Q167 G168	Q155-G164 WeakPolarHBondContact CG-O 2.95Å; S156-G164 WeakPolarHBondContact O-CA 3.14Å; G162-G164 PolarHBondContact O-N 3.04Å; G164-Q167 PolarHBondContact O-N 3.23Å; G164-Q167 PolarHBondContact O-OE1 2.69Å; G164-G168 PolarHBondContact O-N 3.38Å
165	L	96.4	Very high	95.6	Very high	4 Å²	4	44 Å²	44	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-40.6	-174.7	-62.1	-171.4	0	0	0	112.4	I32 Q35 F36 F123 C157 G162 E163 Q167 G168 L169	I32-L165 HydrophobicContact CD1-CD2 4.12Å; I32-L165 HydrophobicContact CG1-CD1 4.44Å; I32-L165 HydrophobicContact CG1-CD2 3.97Å; I32-L165 HydrophobicContact CG2-CD1 4.42Å; I32-L165 HydrophobicContact CG2-CD2 4.18Å; Q35-L165 HydrophobicContact CB-CD1 3.86Å; Q35-L165 HydrophobicContact CG-CD1 3.58Å; F36-L165 HydrophobicContact CD1-CB 4.48Å; F36-L165 HydrophobicContact CE1-CB 3.63Å; F36-L165 HydrophobicContact CE1-CD1 4.22Å; F36-L165 HydrophobicContact CE1-CG 4.43Å; F36-L165 HydrophobicContact CZ-CB 4.23Å; F123-L165 HydrophobicContact CD1-CD2 4.09Å; F123-L165 HydrophobicContact CD2-CD2 4.5Å; F123-L165 HydrophobicContact CE1-CD2 3.79Å; F123-L165 HydrophobicContact CE2-CD2 4.23Å; F123-L165 HydrophobicContact CG-CD2 4.45Å; F123-L165 HydrophobicContact CZ-CD2 3.86Å; C157-L165 HydrophobicContact CB-CD2 3.64Å; C157-L165 HydrophobicContact CB-CG 4.37Å; G162-L165 WeakPolarHBondContact O-CB 3.42Å; G162-L165 PolarHBondContact O-N 3.07Å; E163-L165 PolarHBondContact O-N 3.27Å; L165-Q167 PolarHBondContact O-N 3.21Å; L165-G168 PolarHBondContact O-N 2.65Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-L169 VanDerWaalsContact O-N 3.09Å
166	C	93.7	Very high	94.9	Very high	72 Å²	72	42.7 Å²	42.7	49%	0.486	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-44.7	177.8	-172.3	0	0	0	0	111.6	G168 L169 E170	C166-G168 VanDerWaalsContact C-N 3.29Å; C166-G168 PolarHBondContact O-N 3.2Å; C166-L169 PolarHBondContact O-N 3.3Å; C166-L169 VanDerWaalsContact O-N 3.14Å; C166-E170 WeakPolarHBondContact O-CG 3.41Å; C166-E170 PolarHBondContact O-N 3.23Å
167	Q	96.4	Very high	93.4	Very high	93 Å²	93	44 Å²	44	44%	0.435	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-37.6	179.1	-64.2	84.9	-13.5	0	0	111.9	Q155 G164 L165 W171	Q155-Q167 HydrophobicContact CG-CB 4.41Å; G164-Q167 PolarHBondContact O-N 3.23Å; G164-Q167 PolarHBondContact O-OE1 2.69Å; L165-Q167 PolarHBondContact O-N 3.21Å; Q167-W171 PolarHBondContact O-N 3.46Å; Q167-W171 VanDerWaalsContact O-N 3.12Å
168	G	97.1	Very high	91.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-44.9	174	0	0	0	0	0	112.5	G164 L165 C166 W171 M172	G164-G168 PolarHBondContact O-N 3.38Å; L165-G168 PolarHBondContact O-N 2.65Å; C166-G168 VanDerWaalsContact C-N 3.29Å; C166-G168 PolarHBondContact O-N 3.2Å; G168-W171 WeakPolarHBondContact O-CB 3.33Å; G168-W171 PolarHBondContact O-N 2.67Å; G168-M172 PolarHBondContact O-N 3.11Å; G168-M172 VanDerWaalsContact O-N 3.13Å
169	L	93.9	Very high	89	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.063	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-40.1	176.1	-71.7	179	0	0	0	112.7	F36 V57 M64 L165 C166 W171 M172 T173	F36-L169 HydrophobicContact CD1-CD1 3.38Å; F36-L169 HydrophobicContact CD1-CG 4.21Å; F36-L169 HydrophobicContact CE1-CD1 3.12Å; F36-L169 HydrophobicContact CE1-CD2 4.05Å; F36-L169 HydrophobicContact CE1-CG 3.48Å; F36-L169 VanDerWaalsContact CE1-CG 3.48Å; F36-L169 HydrophobicContact CE2-CD1 4.4Å; F36-L169 HydrophobicContact CE2-CD2 4.03Å; F36-L169 HydrophobicContact CE2-CG 4.36Å; F36-L169 HydrophobicContact CG-CD1 4.12Å; F36-L169 HydrophobicContact CZ-CD1 3.72Å; F36-L169 HydrophobicContact CZ-CD2 3.72Å; F36-L169 HydrophobicContact CZ-CG 3.58Å; V57-L169 HydrophobicContact CG1-CB 4.5Å; V57-L169 HydrophobicContact CG2-CB 4.38Å; V57-L169 HydrophobicContact CG2-CD1 3.72Å; V57-L169 HydrophobicContact CG2-CD2 4.41Å; V57-L169 HydrophobicContact CG2-CG 4.41Å; M64-L169 HydrophobicContact CE-CD2 3.84Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-L169 VanDerWaalsContact O-N 3.09Å; C166-L169 PolarHBondContact O-N 3.3Å; C166-L169 VanDerWaalsContact O-N 3.14Å; L169-W171 VanDerWaalsContact C-N 3.26Å; L169-W171 PolarHBondContact O-N 3.11Å; L169-M172 HydrophobicContact CD2-SD 4.27Å; L169-M172 WeakPolarHBondContact O-CA 3.48Å; L169-M172 WeakPolarHBondContact O-CB 3.46Å; L169-M172 PolarHBondContact O-N 3.28Å; L169-T173 PolarHBondContact O-N 2.9Å; L169-T173 PolarHBondContact O-OG1 2.88Å; L169-T173 VanDerWaalsContact O-OG1 3.13Å
170	E	93.5	Very high	88.6	Confident	92 Å²	92	61 Å²	61	43%	0.43	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-39.5	176	-74.4	-175.6	146.8	0	0	111.6	K58 C166 T173 S174	K58-E170 IonicContact NZ-OE1 4Å; C166-E170 WeakPolarHBondContact O-CG 3.41Å; C166-E170 PolarHBondContact O-N 3.23Å; E170-T173 PolarHBondContact O-N 3.14Å; E170-S174 WeakPolarHBondContact O-CB 3.48Å; E170-S174 PolarHBondContact O-N 3.24Å
171	W	96.1	Very high	88.3	Confident	31 Å²	31	59.5 Å²	59.5	12%	0.117	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-45.8	171.6	178.2	88.4	0	0	0	111.4	A119 L120 L121 H153 Q167 G168 L169 S174 R175	A119-W171 HydrophobicContact CB-CH2 3.95Å; A119-W171 HydrophobicContact CB-CZ3 4.42Å; L120-W171 WeakPolarHBondContact O-CH2 3.44Å; L121-W171 HydrophobicContact CB-CE3 4.18Å; L121-W171 HydrophobicContact CB-CZ3 3.88Å; L121-W171 HydrophobicContact CD1-CE3 4.15Å; H153-W171 HydrophobicContact CB-CD2 3.45Å; H153-W171 VanDerWaalsContact CB-CD2 3.45Å; H153-W171 HydrophobicContact CB-CE3 3.97Å; H153-W171 HydrophobicContact CB-CG 3.74Å; H153-W171 HydrophobicContact CB-CH2 4.22Å; H153-W171 HydrophobicContact CB-CZ2 3.73Å; H153-W171 HydrophobicContact CB-CZ3 4.33Å; H153-W171 AromaticContact CG-CD1 3.9Å; H153-W171 AromaticContact CG-CG 3.93Å; Q167-W171 PolarHBondContact O-N 3.46Å; Q167-W171 VanDerWaalsContact O-N 3.12Å; G168-W171 WeakPolarHBondContact O-CB 3.33Å; G168-W171 PolarHBondContact O-N 2.67Å; L169-W171 VanDerWaalsContact C-N 3.26Å; L169-W171 PolarHBondContact O-N 3.11Å; W171-S174 WeakPolarHBondContact O-CB 3.3Å; W171-S174 PolarHBondContact O-N 3.12Å; W171-S174 PolarHBondContact O-OG 2.77Å; W171-R175 HydrophobicContact CD2-CG 4.45Å; W171-R175 HydrophobicContact CZ2-CG 4.26Å; W171-R175 WeakPolarHBondContact O-CG 3.47Å; W171-R175 PolarHBondContact O-N 3.39Å
172	M	95.3	Very high	88	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-47.5	176.5	-69.9	177.7	55.1	0	0	112.1	V19 F62 F86 I88 L121 G168 L169 S174 R175 A176	V19-M172 HydrophobicContact CG1-CE 3.99Å; V19-M172 HydrophobicContact CG2-CE 3.8Å; F62-M172 HydrophobicContact CD1-CE 3.97Å; F62-M172 HydrophobicContact CE1-CB 4.31Å; F62-M172 HydrophobicContact CE1-CE 3.82Å; F62-M172 HydrophobicContact CZ-CB 4.11Å; F62-M172 HydrophobicContact CZ-CE 4.43Å; F86-M172 HydrophobicContact CB-CE 3.57Å; F86-M172 HydrophobicContact CD1-CB 4.29Å; F86-M172 HydrophobicContact CD1-CE 4.03Å; F86-M172 HydrophobicContact CD1-CG 4.06Å; F86-M172 HydrophobicContact CD2-CE 4.09Å; F86-M172 HydrophobicContact CE1-CB 4.2Å; F86-M172 HydrophobicContact CE1-CG 4.39Å; F86-M172 HydrophobicContact CG-CE 3.63Å; F86-M172 WeakPolarHBondContact CZ-O 3.35Å; I88-M172 HydrophobicContact CD1-CE 4.22Å; I88-M172 HydrophobicContact CD1-SD 3.78Å; I88-M172 HydrophobicContact CG1-CE 4.41Å; I88-M172 HydrophobicContact CG1-SD 3.92Å; L121-M172 HydrophobicContact CB-CG 4.39Å; L121-M172 HydrophobicContact CB-SD 4.33Å; L121-M172 HydrophobicContact CD2-CG 3.97Å; L121-M172 HydrophobicContact CD2-SD 3.57Å; L121-M172 VanDerWaalsContact CD2-SD 3.57Å; G168-M172 PolarHBondContact O-N 3.11Å; G168-M172 VanDerWaalsContact O-N 3.13Å; L169-M172 HydrophobicContact CD2-SD 4.27Å; L169-M172 WeakPolarHBondContact O-CA 3.48Å; L169-M172 WeakPolarHBondContact O-CB 3.46Å; L169-M172 PolarHBondContact O-N 3.28Å; M172-S174 VanDerWaalsContact C-N 3.26Å; M172-S174 PolarHBondContact O-N 3.11Å; M172-R175 WeakPolarHBondContact O-CB 3.49Å; M172-R175 PolarHBondContact O-N 2.87Å; M172-A176 PolarHBondContact O-N 2.83Å
173	T	92.6	Very high	87.6	Confident	23 Å²	23	60.2 Å²	60.2	14%	0.141	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-39.1	176.5	-57.1	0	0	0	0	111.6	L169 E170 R175 A176 G177	L169-T173 PolarHBondContact O-N 2.9Å; L169-T173 PolarHBondContact O-OG1 2.88Å; L169-T173 VanDerWaalsContact O-OG1 3.13Å; E170-T173 PolarHBondContact O-N 3.14Å; T173-R175 PolarHBondContact O-N 3.27Å; T173-A176 PolarHBondContact O-N 3.25Å; T173-G177 PolarHBondContact O-N 3.15Å
174	S	92.1	Very high	87	Confident	66 Å²	66	55 Å²	55	46%	0.462	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-23.3	176.6	81.7	0	0	0	0	113.6	E170 W171 M172 L178	E170-S174 WeakPolarHBondContact O-CB 3.48Å; E170-S174 PolarHBondContact O-N 3.24Å; W171-S174 WeakPolarHBondContact O-CB 3.3Å; W171-S174 PolarHBondContact O-N 3.12Å; W171-S174 PolarHBondContact O-OG 2.77Å; M172-S174 VanDerWaalsContact C-N 3.26Å; M172-S174 PolarHBondContact O-N 3.11Å; S174-L178 WeakPolarHBondContact O-CG 3.42Å
175	R	90.5	Very high	86.3	Confident	100 Å²	100	58.5 Å²	58.5	38%	0.377	31%	0.31	S	S	.	.	H	α-helix	trans	-90.5	-34	176.3	-61.3	-56.5	-178.3	179.6	-1	112.6	F86 W171 M172 T173 G177 L178	F86-R175 HydrophobicContact CE1-CB 3.79Å; F86-R175 HydrophobicContact CZ-CB 4.04Å; W171-R175 HydrophobicContact CD2-CG 4.45Å; W171-R175 HydrophobicContact CZ2-CG 4.26Å; W171-R175 WeakPolarHBondContact O-CG 3.47Å; W171-R175 PolarHBondContact O-N 3.39Å; M172-R175 WeakPolarHBondContact O-CB 3.49Å; M172-R175 PolarHBondContact O-N 2.87Å; T173-R175 PolarHBondContact O-N 3.27Å; R175-G177 VanDerWaalsContact C-N 3.27Å; R175-G177 PolarHBondContact O-N 3.49Å; R175-L178 PolarHBondContact O-N 3.28Å
176	A	84.4	Confident	85.5	Confident	10 Å²	10	62.4 Å²	62.4	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-39	175.8	0	0	0	0	0	111.8	T60 F86 M172 T173 L178	T60-A176 HydrophobicContact CG2-CB 4.06Å; F86-A176 HydrophobicContact CE2-CB 4.32Å; F86-A176 HydrophobicContact CZ-CB 4.12Å; M172-A176 PolarHBondContact O-N 2.83Å; T173-A176 PolarHBondContact O-N 3.25Å; A176-L178 VanDerWaalsContact C-N 3.31Å; A176-L178 PolarHBondContact O-N 2.82Å
177	G	66.5	Low	84.9	Confident	67 Å²	67	61.6 Å²	61.6	69%	0.691	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	3.3	179.4	0	0	0	0	0	116.6	T173 R175 R179	T173-G177 PolarHBondContact O-N 3.15Å; R175-G177 VanDerWaalsContact C-N 3.27Å; R175-G177 PolarHBondContact O-N 3.49Å; G177-R179 VanDerWaalsContact C-N 3.33Å
178	L	57.8	Low	84	Confident	124 Å²	124	59 Å²	59	65%	0.649	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	15.8	179.1	-69.2	172.5	0	0	0	113.5	S174 R175 A176	S174-L178 WeakPolarHBondContact O-CG 3.42Å; R175-L178 PolarHBondContact O-N 3.28Å; A176-L178 VanDerWaalsContact C-N 3.31Å; A176-L178 PolarHBondContact O-N 2.82Å
179	R	47.9	Very low	82.8	Confident	183 Å²	183	64.4 Å²	64.4	69%	0.691	34%	0.337	S	S	*	.			trans	-101	0	177.2	-73.7	-172.5	173.5	175.8	5.8	112.6	E85 G177	E85-R179 IonicContact OE1-CZ 3.59Å; E85-R179 IonicContact OE1-NH1 2.77Å; E85-R179 PolarHBondContact OE1-NH1 3.35Å; E85-R179 IonicContact OE1-NH2 3.68Å; E85-R179 IonicContact OE2-CZ 3.2Å; E85-R179 IonicContact OE2-NE 3.99Å; E85-R179 IonicContact OE2-NH1 3.04Å; E85-R179 PolarHBondContact OE2-NH1 2.86Å; E85-R179 IonicContact OE2-NH2 3.27Å; E85-R179 PolarHBondContact OE2-NH2 3.18Å; G177-R179 VanDerWaalsContact C-N 3.33Å

Retrieved 179 of 179 residues in 1184.2 ms (Link to these results)

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