A0A096N4P5_PAPAN Loading...

Glutaredoxin-1

Has a glutathione-disulfide oxidoreductase activity in the presence of NADPH and glutathione reductase. Reduces low molecular weight disulfides and proteins.

AlphaFold DB (F7GJV9), UniProt , Accession A0A096N4P5, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 106 aa.

						>A0A096N4P5_PAPAN|A0A096N4P5
MAQEFVNGKIQPGKVVVFIKPTCPYCRRAQEILSQLPIKQGLLEFVDITATNHTNEIQDYLQQLTGARTVPRVFIGKDCIGGCSDLVSMQQSGELLTRLKQIGALQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	79.8	Confident	94.9	Very high	178 Å²	178	70.8 Å²	70.8	88%	0.877	37%	0.365	S	S	*	.				0	93.6	0	-76.5	-177.8	-81.4	0	0	112	Q3 E4	M1-Q3 PolarHBondContact O-N 3.35Å; M1-E4 PolarHBondContact N-OE2 3.01Å
2	A	92.4	Very high	94.9	Very high	9 Å²	9	71.8 Å²	71.8	7%	0.074	38%	0.379	C	S	.	.			trans	60.7	-58.1	-177.8	0	0	0	0	0	117.2	F5 V6 E56 I57	A2-F5 WeakPolarHBondContact O-CB 3.48Å; A2-F5 PolarHBondContact O-N 2.82Å; A2-V6 WeakPolarHBondContact O-CG2 3.47Å; A2-V6 PolarHBondContact O-N 3.03Å; A2-E56 HydrophobicContact CB-CB 3.73Å; A2-I57 HydrophobicContact CB-CG1 3.84Å
3	Q	95.4	Very high	94.9	Very high	101 Å²	101	68.5 Å²	68.5	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-59.7	-51.5	178.2	-57.4	-171.8	-22.9	0	0	111.8	M1 F5 V6 N7 Y60	M1-Q3 PolarHBondContact O-N 3.35Å; Q3-F5 VanDerWaalsContact C-N 3.25Å; Q3-F5 PolarHBondContact O-N 3.14Å; Q3-V6 PolarHBondContact O-N 3.47Å; Q3-N7 VanDerWaalsContact O-CB 3.26Å; Q3-N7 WeakPolarHBondContact O-CB 3.29Å; Q3-N7 PolarHBondContact O-N 3.08Å; Q3-N7 PolarHBondContact O-ND2 3.38Å; Q3-Y60 HydrophobicContact CB-CD1 4.32Å; Q3-Y60 HydrophobicContact CB-CD2 4.33Å; Q3-Y60 HydrophobicContact CB-CE1 4.12Å; Q3-Y60 HydrophobicContact CB-CE2 4.1Å; Q3-Y60 HydrophobicContact CB-CG 4.41Å; Q3-Y60 HydrophobicContact CG-CD1 4.26Å; Q3-Y60 HydrophobicContact CG-CD2 3.56Å; Q3-Y60 HydrophobicContact CG-CE1 4.38Å; Q3-Y60 HydrophobicContact CG-CE2 3.68Å; Q3-Y60 HydrophobicContact CG-CG 3.85Å
4	E	95.8	Very high	95.1	Very high	150 Å²	150	66.8 Å²	66.8	70%	0.701	36%	0.36	S	S	*	.	H	α-helix	trans	-59.7	-36.9	175.8	-65.8	163.9	161.4	0	0	112	M1 G8	M1-E4 PolarHBondContact N-OE2 3.01Å; E4-G8 WeakPolarHBondContact O-CA 3.49Å; E4-G8 PolarHBondContact O-N 3.49Å
5	F	96.1	Very high	95.3	Very high	63 Å²	63	62.3 Å²	62.3	28%	0.276	34%	0.336	S	S	.	.	H	α-helix	trans	-64.5	-52.3	176.8	171.7	-96.4	0	0	0	110.5	A2 Q3 G8 K9 F18 V46 T51 I57	A2-F5 WeakPolarHBondContact O-CB 3.48Å; A2-F5 PolarHBondContact O-N 2.82Å; Q3-F5 VanDerWaalsContact C-N 3.25Å; Q3-F5 PolarHBondContact O-N 3.14Å; F5-G8 PolarHBondContact O-N 3.36Å; F5-K9 WeakPolarHBondContact O-CG 3.35Å; F5-K9 PolarHBondContact O-N 3.46Å; F5-F18 HydrophobicContact CE1-CE1 4.34Å; F5-V46 HydrophobicContact CE1-CG1 3.75Å; F5-V46 HydrophobicContact CZ-CG1 3.47Å; F5-V46 VanDerWaalsContact CZ-CG1 3.47Å; F5-T51 HydrophobicContact CE1-CG2 4.41Å; F5-T51 HydrophobicContact CE2-CG2 4.04Å; F5-T51 HydrophobicContact CZ-CG2 3.96Å; F5-I57 HydrophobicContact CD1-CD1 3.66Å; F5-I57 HydrophobicContact CD1-CG1 4.11Å; F5-I57 HydrophobicContact CE1-CD1 3.75Å
6	V	97.6	Very high	95.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-49.3	179.1	169.9	0	0	0	0	111	A2 Q3 G8 K9 I10 F18 I57 Y60 L61 L64	A2-V6 WeakPolarHBondContact O-CG2 3.47Å; A2-V6 PolarHBondContact O-N 3.03Å; Q3-V6 PolarHBondContact O-N 3.47Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 3.35Å; V6-K9 PolarHBondContact O-N 3.19Å; V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 WeakPolarHBondContact O-CG1 3.33Å; V6-I10 PolarHBondContact O-N 3.44Å; V6-F18 HydrophobicContact CB-CE1 4.43Å; V6-F18 HydrophobicContact CB-CZ 4.14Å; V6-F18 HydrophobicContact CG1-CE1 4.42Å; V6-F18 HydrophobicContact CG1-CE2 4.11Å; V6-F18 HydrophobicContact CG1-CZ 3.73Å; V6-F18 HydrophobicContact CG2-CE1 4.07Å; V6-F18 HydrophobicContact CG2-CZ 4.22Å; V6-I57 HydrophobicContact CG2-CG2 3.83Å; V6-Y60 HydrophobicContact CB-CD1 3.69Å; V6-Y60 HydrophobicContact CB-CE1 3.73Å; V6-Y60 HydrophobicContact CG1-CD1 3.82Å; V6-Y60 HydrophobicContact CG1-CE1 3.67Å; V6-Y60 HydrophobicContact CG2-CD1 3.93Å; V6-Y60 HydrophobicContact CG2-CE1 4.47Å; V6-L61 HydrophobicContact CG1-CD2 3.98Å; V6-L61 HydrophobicContact CG2-CD2 4.5Å; V6-L64 HydrophobicContact CG1-CD2 4.1Å
7	N	97.5	Very high	95.7	Very high	75 Å²	75	55 Å²	55	40%	0.401	30%	0.296	S	S	.	.	H	α-helix	trans	-65.8	-33.6	-178.6	-67.5	-16.2	0	0	0	112.5	Q3 K9 I10 Y60	Q3-N7 VanDerWaalsContact O-CB 3.26Å; Q3-N7 WeakPolarHBondContact O-CB 3.29Å; Q3-N7 PolarHBondContact O-N 3.08Å; Q3-N7 PolarHBondContact O-ND2 3.38Å; N7-K9 PolarHBondContact O-N 3.05Å; N7-I10 PolarHBondContact O-N 2.96Å; N7-Y60 VanDerWaalsContact CG-OH 3.25Å; N7-Y60 PolarHBondContact ND2-OH 2.95Å; N7-Y60 WeakPolarHBondContact OD1-CE1 3.01Å; N7-Y60 PolarHBondContact OD1-OH 2.97Å
8	G	97.3	Very high	95.8	Very high	48 Å²	48	51.9 Å²	51.9	50%	0.495	28%	0.28	S	S	.	.	H	α-helix	trans	-67.1	-25	177	0	0	0	0	0	113.5	E4 F5 V6 Q11	E4-G8 WeakPolarHBondContact O-CA 3.49Å; E4-G8 PolarHBondContact O-N 3.49Å; F5-G8 PolarHBondContact O-N 3.36Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 3.35Å; G8-Q11 PolarHBondContact O-NE2 3.25Å
9	K	97.6	Very high	96	Very high	59 Å²	59	49.8 Å²	49.8	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-80.5	-41.5	175.6	-61.7	-57.8	-171.9	168.3	0	112.2	F5 V6 N7 Q11 V16 F18 E44 V46	F5-K9 WeakPolarHBondContact O-CG 3.35Å; F5-K9 PolarHBondContact O-N 3.46Å; V6-K9 PolarHBondContact O-N 3.19Å; N7-K9 PolarHBondContact O-N 3.05Å; K9-Q11 PolarHBondContact O-N 2.82Å; K9-V16 HydrophobicContact CB-CG1 4.06Å; K9-V16 WeakPolarHBondContact O-CG2 3.3Å; K9-F18 HydrophobicContact CB-CE1 4.41Å; K9-F18 HydrophobicContact CB-CZ 4.07Å; K9-F18 HydrophobicContact CG-CE1 4.45Å; K9-E44 WeakPolarHBondContact CD-OE1 3.41Å; K9-E44 WeakPolarHBondContact CE-OE1 3.49Å; K9-E44 IonicContact NZ-OE1 3.93Å; K9-E44 PolarHBondContact NZ-OE1 3.12Å; K9-V46 HydrophobicContact CB-CG2 4.29Å; K9-V46 HydrophobicContact CD-CG2 4.16Å; K9-V46 HydrophobicContact CG-CG1 4.39Å; K9-V46 HydrophobicContact CG-CG2 3.99Å
10	I	97.9	Very high	96.1	Very high	21 Å²	21	49.9 Å²	49.9	11%	0.108	27%	0.266	C	S	.	.			trans	-70.7	115.6	-176.2	-61.3	164.5	0	0	0	110.4	V6 N7 F18 L64 F74 G76 K77	V6-I10 HydrophobicContact CG1-CD1 3.79Å; V6-I10 WeakPolarHBondContact O-CG1 3.33Å; V6-I10 PolarHBondContact O-N 3.44Å; N7-I10 PolarHBondContact O-N 2.96Å; I10-F18 HydrophobicContact CD1-CE2 4.32Å; I10-F18 HydrophobicContact CG1-CE2 4.17Å; I10-F18 HydrophobicContact CG1-CZ 4.35Å; I10-L64 HydrophobicContact CD1-CD2 3.86Å; I10-F74 HydrophobicContact CD1-CD1 3.85Å; I10-F74 HydrophobicContact CD1-CD2 4.39Å; I10-F74 HydrophobicContact CD1-CE1 3.51Å; I10-F74 HydrophobicContact CD1-CE2 4.1Å; I10-F74 HydrophobicContact CD1-CG 4.27Å; I10-F74 HydrophobicContact CD1-CZ 3.64Å; I10-F74 HydrophobicContact CG1-CD1 4.05Å; I10-F74 HydrophobicContact CG1-CD2 4.36Å; I10-F74 HydrophobicContact CG1-CE1 4.22Å; I10-F74 HydrophobicContact CG1-CG 4.11Å; I10-F74 HydrophobicContact CG1-CZ 4.46Å; I10-F74 HydrophobicContact CG2-CD1 4.1Å; I10-G76 WeakPolarHBondContact CG2-O 3.38Å; I10-K77 HydrophobicContact CG2-CB 4.44Å; I10-K77 HydrophobicContact CG2-CG 4.3Å
11	Q	96.8	Very high	96	Very high	75 Å²	75	50.6 Å²	50.6	35%	0.35	27%	0.274	S	S	.	.			trans	-135.9	140.2	-175.2	-65	178.5	13.7	0	0	111	G8 K9 G13 K14 G76	G8-Q11 PolarHBondContact O-NE2 3.25Å; K9-Q11 PolarHBondContact O-N 2.82Å; Q11-G13 PolarHBondContact O-N 3.16Å; Q11-K14 HydrophobicContact CB-CB 4.19Å; Q11-K14 HydrophobicContact CB-CD 4.11Å; Q11-K14 HydrophobicContact CB-CG 4.07Å; Q11-K14 HydrophobicContact CG-CD 4.45Å; Q11-K14 PolarHBondContact O-N 3.43Å; Q11-G76 CarbonylContact O-C 3.42Å; Q11-G76 VanDerWaalsContact O-CA 3.27Å; Q11-G76 WeakPolarHBondContact O-CA 3.49Å
12	P	94.4	Very high	96.7	Very high	83 Å²	83	48.1 Å²	48.1	54%	0.539	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.2	-174.1	-29.6	34.4	0	0	0	116.9	G76 K77	P12-G76 WeakPolarHBondContact O-CA 3.42Å; P12-K77 HydrophobicContact CG-CD 4.29Å; P12-K77 HydrophobicContact CG-CG 4.21Å
13	G	95	Very high	96.9	Very high	29 Å²	29	48.6 Å²	48.6	30%	0.299	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	11.1	-178.7	0	0	0	0	0	114.6	Q11	Q11-G13 PolarHBondContact O-N 3.16Å
14	K	97.4	Very high	97	Very high	44 Å²	44	48 Å²	48	19%	0.191	28%	0.276	C	S	.	.			trans	-119.4	151.8	-175.3	-67.1	-167.7	175.2	175.4	0	112.5	Q11 V16 L42 G76	Q11-K14 HydrophobicContact CB-CB 4.19Å; Q11-K14 HydrophobicContact CB-CD 4.11Å; Q11-K14 HydrophobicContact CB-CG 4.07Å; Q11-K14 HydrophobicContact CG-CD 4.45Å; Q11-K14 PolarHBondContact O-N 3.43Å; K14-V16 HydrophobicContact CB-CG2 4.18Å; K14-L42 CarbonylContact C-O 3.55Å; K14-L42 WeakPolarHBondContact CA-O 3.28Å; K14-L42 HydrophobicContact CG-CD2 4.26Å; K14-G76 WeakPolarHBondContact O-CA 3.48Å; K14-G76 PolarHBondContact O-N 3.03Å
15	V	98.4	Very high	97.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.8	164	-175.6	0	0	0	0	107.6	L33 I38 L42 L43 E44 F74 L99 I102	V15-L33 HydrophobicContact CG1-CD1 4.14Å; V15-L33 HydrophobicContact CG1-CD2 4.2Å; V15-I38 HydrophobicContact CG2-CD1 4.25Å; V15-L42 PolarHBondContact N-O 2.81Å; V15-L43 HydrophobicContact CB-CD1 3.87Å; V15-L43 HydrophobicContact CG1-CD1 3.7Å; V15-L43 WeakPolarHBondContact O-CA 3.23Å; V15-E44 PolarHBondContact O-N 3.22Å; V15-F74 VanDerWaalsContact CA-O 3.32Å; V15-F74 WeakPolarHBondContact CA-O 3.44Å; V15-L99 HydrophobicContact CG2-CD2 3.28Å; V15-I102 HydrophobicContact CG2-CD1 4.37Å
16	V	98.6	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.1	-178	179.7	0	0	0	0	108.8	K9 K14 F18 E44 V46 F74	K9-V16 HydrophobicContact CB-CG1 4.06Å; K9-V16 WeakPolarHBondContact O-CG2 3.3Å; K14-V16 HydrophobicContact CB-CG2 4.18Å; V16-F18 HydrophobicContact CG1-CD2 4.45Å; V16-F18 HydrophobicContact CG1-CE2 3.99Å; V16-F18 HydrophobicContact CG1-CZ 4.13Å; V16-E44 WeakPolarHBondContact CA-O 3.32Å; V16-V46 HydrophobicContact CG1-CG2 3.83Å; V16-F74 HydrophobicContact CB-CB 4.37Å; V16-F74 PolarHBondContact N-O 3.16Å; V16-F74 PolarHBondContact O-N 2.89Å
17	V	98.6	Very high	97.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.3	176.1	-168.2	0	0	0	0	110	I19 L33 E44 F45 V46 P71 R72 V73	V17-I19 HydrophobicContact CB-CG2 4.27Å; V17-I19 HydrophobicContact CG1-CG2 3.66Å; V17-L33 HydrophobicContact CG2-CD1 3.38Å; V17-E44 PolarHBondContact N-O 2.91Å; V17-F45 HydrophobicContact CB-CD1 3.78Å; V17-F45 HydrophobicContact CB-CE1 4.06Å; V17-F45 HydrophobicContact CG1-CD1 4.49Å; V17-F45 HydrophobicContact CG2-CD1 4.08Å; V17-F45 HydrophobicContact CG2-CE1 3.87Å; V17-F45 WeakPolarHBondContact O-CA 3.26Å; V17-V46 PolarHBondContact O-N 3Å; V17-P71 HydrophobicContact CG1-CB 3.83Å; V17-R72 WeakPolarHBondContact CA-O 3.33Å; V17-V73 HydrophobicContact CG1-CG2 3.91Å; V17-V73 HydrophobicContact CG2-CG1 4.2Å; V17-V73 HydrophobicContact CG2-CG2 4.23Å
18	F	98.6	Very high	97.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124	171	-63.7	-83.4	0	0	0	109.3	F5 V6 K9 I10 V16 V46 I48 L61 P71 R72 F74	F5-F18 HydrophobicContact CE1-CE1 4.34Å; V6-F18 HydrophobicContact CB-CE1 4.43Å; V6-F18 HydrophobicContact CB-CZ 4.14Å; V6-F18 HydrophobicContact CG1-CE1 4.42Å; V6-F18 HydrophobicContact CG1-CE2 4.11Å; V6-F18 HydrophobicContact CG1-CZ 3.73Å; V6-F18 HydrophobicContact CG2-CE1 4.07Å; V6-F18 HydrophobicContact CG2-CZ 4.22Å; K9-F18 HydrophobicContact CB-CE1 4.41Å; K9-F18 HydrophobicContact CB-CZ 4.07Å; K9-F18 HydrophobicContact CG-CE1 4.45Å; I10-F18 HydrophobicContact CD1-CE2 4.32Å; I10-F18 HydrophobicContact CG1-CE2 4.17Å; I10-F18 HydrophobicContact CG1-CZ 4.35Å; V16-F18 HydrophobicContact CG1-CD2 4.45Å; V16-F18 HydrophobicContact CG1-CE2 3.99Å; V16-F18 HydrophobicContact CG1-CZ 4.13Å; F18-V46 WeakPolarHBondContact CA-O 3.4Å; F18-V46 HydrophobicContact CD1-CB 3.78Å; F18-V46 HydrophobicContact CD1-CG1 3.77Å; F18-V46 HydrophobicContact CD1-CG2 4.48Å; F18-V46 HydrophobicContact CE1-CB 4.05Å; F18-V46 HydrophobicContact CE1-CG1 3.85Å; F18-V46 HydrophobicContact CE1-CG2 4.35Å; F18-I48 HydrophobicContact CB-CG2 3.96Å; F18-I48 HydrophobicContact CD1-CG2 3.78Å; F18-I48 HydrophobicContact CG-CG2 4.34Å; F18-L61 HydrophobicContact CB-CD1 4.02Å; F18-L61 HydrophobicContact CD2-CD2 3.85Å; F18-L61 HydrophobicContact CE2-CD2 4.09Å; F18-L61 HydrophobicContact CG-CD1 4.15Å; F18-L61 HydrophobicContact CG-CD2 4.27Å; F18-P71 VanDerWaalsContact O-CA 3.27Å; F18-P71 WeakPolarHBondContact O-CA 3.46Å; F18-R72 HydrophobicContact CB-CB 4.4Å; F18-R72 HydrophobicContact CD2-CB 4.43Å; F18-R72 PolarHBondContact N-O 2.88Å; F18-R72 PolarHBondContact O-N 3.14Å; F18-R72 VanDerWaalsContact O-N 3.16Å; F18-F74 AromaticContact CD2-CD2 3.99Å; F18-F74 HydrophobicContact CD2-CD2 3.99Å; F18-F74 AromaticContact CD2-CE2 3.8Å; F18-F74 HydrophobicContact CD2-CE2 3.8Å; F18-F74 AromaticContact CE2-CD2 3.84Å; F18-F74 HydrophobicContact CE2-CD2 3.84Å; F18-F74 AromaticContact CE2-CE2 3.67Å; F18-F74 HydrophobicContact CE2-CE2 3.67Å
19	I	98.6	Very high	97.3	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	168.2	-171.1	61.9	163.1	0	0	0	112.5	V17 C26 F45 V46 I48	V17-I19 HydrophobicContact CB-CG2 4.27Å; V17-I19 HydrophobicContact CG1-CG2 3.66Å; I19-C26 HydrophobicContact CB-CB 3.82Å; I19-C26 HydrophobicContact CG2-CB 3.75Å; I19-F45 HydrophobicContact CD1-CB 3.96Å; I19-F45 HydrophobicContact CG1-CB 4.5Å; I19-F45 HydrophobicContact CG2-CD1 4.46Å; I19-V46 WeakPolarHBondContact CG1-O 3.45Å; I19-V46 PolarHBondContact N-O 2.97Å; I19-I48 PolarHBondContact O-N 3.34Å; I19-I48 VanDerWaalsContact O-N 3.16Å
20	K	97.9	Very high	97.3	Very high	50 Å²	50	51.5 Å²	51.5	22%	0.217	26%	0.262	C	S	.	.			trans	-126.3	138.2	161.4	-65.3	-176.1	-178.2	-171.8	0	109	T22 C23 I48 T49 Q58 V70	K20-T22 VanDerWaalsContact C-N 3.26Å; K20-T22 PolarHBondContact O-N 3.28Å; K20-T22 VanDerWaalsContact O-N 3.15Å; K20-C23 HydrophobicContact CB-CB 4.3Å; K20-C23 WeakPolarHBondContact O-CB 3.43Å; K20-C23 PolarHBondContact O-N 3.49Å; K20-I48 HydrophobicContact CG-CD1 4.21Å; K20-I48 HydrophobicContact CG-CG1 3.92Å; K20-T49 HydrophobicContact CB-CG2 4.25Å; K20-T49 HydrophobicContact CD-CG2 4.11Å; K20-T49 HydrophobicContact CG-CG2 3.78Å; K20-Q58 VanDerWaalsContact NZ-CD 3.34Å; K20-V70 HydrophobicContact CB-CG2 3.99Å; K20-V70 HydrophobicContact CD-CG2 3.93Å; K20-V70 HydrophobicContact CG-CG1 4.29Å; K20-V70 HydrophobicContact CG-CG2 3.66Å
21	P	94.4	Very high	97.3	Very high	66 Å²	66	55.9 Å²	55.9	43%	0.429	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.1	-173.1	-29	35.6	0	0	0	115.5	D47	P21-D47 WeakPolarHBondContact CD-OD1 3.44Å; P21-D47 WeakPolarHBondContact CD-OD2 3.5Å; P21-D47 WeakPolarHBondContact CG-OD2 3.47Å
22	T	93.6	Very high	97.4	Very high	125 Å²	125	53 Å²	53	77%	0.767	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.6	-177.7	55.6	0	0	0	0	113.7	K20 P24	K20-T22 VanDerWaalsContact C-N 3.26Å; K20-T22 PolarHBondContact O-N 3.28Å; K20-T22 VanDerWaalsContact O-N 3.15Å; T22-P24 WeakPolarHBondContact O-CD 3.1Å
23	C	97.1	Very high	97.5	Very high	19 Å²	19	49 Å²	49	13%	0.128	24%	0.244	C	C	.	.			trans	-82.8	117.5	-176.4	177.4	0	0	0	0	111.4	K20 Y25 C26 R27 V70	K20-C23 HydrophobicContact CB-CB 4.3Å; K20-C23 WeakPolarHBondContact O-CB 3.43Å; K20-C23 PolarHBondContact O-N 3.49Å; C23-Y25 VanDerWaalsContact C-N 3.3Å; C23-Y25 PolarHBondContact O-N 3.37Å; C23-C26 HydrophobicContact CB-CB 3.91Å; C23-C26 WeakPolarHBondContact CB-SG 3.33Å; C23-C26 WeakPolarHBondContact O-CB 3.25Å; C23-C26 PolarHBondContact O-N 3.49Å; C23-C26 VanDerWaalsContact O-N 3.09Å; C23-C26 PolarHBondContact SG-SG 3.45Å; C23-R27 PolarHBondContact O-N 3.44Å; C23-V70 HydrophobicContact CB-CG2 4.23Å
24	P	97.8	Very high	97.6	Very high	89 Å²	89	51.4 Å²	51.4	58%	0.578	26%	0.255	S	S	*	.	H	α-helix	trans	-64.3	-33.7	-179.6	25.3	-33.8	0	0	0	112.7	T22 C26 R27 R28	T22-P24 WeakPolarHBondContact O-CD 3.1Å; P24-C26 VanDerWaalsContact C-N 3.29Å; P24-C26 PolarHBondContact O-N 3.43Å; P24-R27 PolarHBondContact O-N 3.26Å; P24-R28 PolarHBondContact O-N 2.97Å; P24-R28 VanDerWaalsContact O-N 3.14Å
25	Y	98.4	Very high	97.5	Very high	144 Å²	144	56.7 Å²	56.7	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-68	-28.7	175.4	-60.1	-73.8	0	0	0	112.8	C23 A29 C83	C23-Y25 VanDerWaalsContact C-N 3.3Å; C23-Y25 PolarHBondContact O-N 3.37Å; Y25-A29 PolarHBondContact O-N 2.85Å; Y25-A29 VanDerWaalsContact O-N 3.12Å; Y25-C83 HydrophobicContact CD1-CB 4.33Å
26	C	98.3	Very high	97.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-68.6	-42.4	173.5	-66.8	0	0	0	0	110.9	I19 C23 P24 R28 A29 Q30	I19-C26 HydrophobicContact CB-CB 3.82Å; I19-C26 HydrophobicContact CG2-CB 3.75Å; C23-C26 HydrophobicContact CB-CB 3.91Å; C23-C26 WeakPolarHBondContact CB-SG 3.33Å; C23-C26 WeakPolarHBondContact O-CB 3.25Å; C23-C26 PolarHBondContact O-N 3.49Å; C23-C26 VanDerWaalsContact O-N 3.09Å; C23-C26 PolarHBondContact SG-SG 3.45Å; P24-C26 VanDerWaalsContact C-N 3.29Å; P24-C26 PolarHBondContact O-N 3.43Å; C26-R28 PolarHBondContact O-N 3.04Å; C26-A29 PolarHBondContact O-N 3.43Å; C26-Q30 WeakPolarHBondContact O-CG 3.48Å; C26-Q30 PolarHBondContact O-N 2.89Å
27	R	98.3	Very high	97.2	Very high	140 Å²	140	61.3 Å²	61.3	53%	0.528	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-46	176.2	-64.8	-176.8	-173	178.5	0.3	111.7	C23 P24 A29 Q30 E31	C23-R27 PolarHBondContact O-N 3.44Å; P24-R27 PolarHBondContact O-N 3.26Å; R27-A29 PolarHBondContact O-N 3.33Å; R27-Q30 WeakPolarHBondContact O-CB 3.38Å; R27-Q30 PolarHBondContact O-N 3.44Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.05Å
28	R	98.2	Very high	97.1	Very high	127 Å²	127	62.5 Å²	62.5	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-42.5	175.9	-175.6	173.2	179.2	176.7	0.6	112.7	P24 C26 Q30 E31 I32	P24-R28 PolarHBondContact O-N 2.97Å; P24-R28 VanDerWaalsContact O-N 3.14Å; C26-R28 PolarHBondContact O-N 3.04Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; R28-E31 PolarHBondContact O-N 3.44Å; R28-I32 HydrophobicContact CG-CD1 4.16Å; R28-I32 WeakPolarHBondContact O-CG1 3.3Å; R28-I32 PolarHBondContact O-N 3Å
29	A	98.2	Very high	97	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-38.9	175.8	0	0	0	0	0	112.1	Y25 C26 R27 L33 P71 L86	Y25-A29 PolarHBondContact O-N 2.85Å; Y25-A29 VanDerWaalsContact O-N 3.12Å; C26-A29 PolarHBondContact O-N 3.43Å; R27-A29 PolarHBondContact O-N 3.33Å; A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 2.89Å; A29-L33 VanDerWaalsContact O-N 3.11Å; A29-P71 HydrophobicContact CB-CB 4.35Å; A29-P71 HydrophobicContact CB-CG 4.14Å; A29-L86 HydrophobicContact CB-CD2 3.73Å
30	Q	97.9	Very high	96.8	Very high	56 Å²	56	75.7 Å²	75.7	26%	0.262	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-47.5	173.7	-75.6	175.2	-61.9	0	0	111.9	C26 R27 R28 L33 S34 F45	C26-Q30 WeakPolarHBondContact O-CG 3.48Å; C26-Q30 PolarHBondContact O-N 2.89Å; R27-Q30 WeakPolarHBondContact O-CB 3.38Å; R27-Q30 PolarHBondContact O-N 3.44Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; R28-Q30 VanDerWaalsContact C-N 3.33Å; Q30-L33 PolarHBondContact O-N 3.38Å; Q30-S34 WeakPolarHBondContact O-CB 3.2Å; Q30-S34 PolarHBondContact O-N 2.87Å; Q30-S34 PolarHBondContact O-OG 3.45Å; Q30-F45 HydrophobicContact CB-CE1 4Å; Q30-F45 HydrophobicContact CB-CZ 4.01Å; Q30-F45 HydrophobicContact CG-CD1 3.42Å; Q30-F45 VanDerWaalsContact CG-CD1 3.42Å; Q30-F45 HydrophobicContact CG-CD2 4.3Å; Q30-F45 HydrophobicContact CG-CE1 3.33Å; Q30-F45 HydrophobicContact CG-CE2 4.19Å; Q30-F45 HydrophobicContact CG-CG 3.94Å; Q30-F45 HydrophobicContact CG-CZ 3.73Å
31	E	97.7	Very high	96.7	Very high	114 Å²	114	75.9 Å²	75.9	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-47.7	178.3	-72.6	163.1	-171.1	0	0	111.9	R27 R28 S34 Q35	R27-E31 WeakPolarHBondContact O-CG 3.39Å; R27-E31 PolarHBondContact O-N 3.05Å; R28-E31 PolarHBondContact O-N 3.44Å; E31-S34 PolarHBondContact O-N 3.34Å; E31-Q35 VanDerWaalsContact O-CG 3.3Å; E31-Q35 WeakPolarHBondContact O-CG 3.34Å; E31-Q35 PolarHBondContact O-N 2.96Å
32	I	97.5	Very high	96.8	Very high	14 Å²	14	74.9 Å²	74.9	7%	0.072	38%	0.382	C	S	.	.	H	α-helix	trans	-56.3	-54	177	-74.9	164.8	0	0	0	110.8	R28 S34 Q35 L86 V87 Q90 L95	R28-I32 HydrophobicContact CG-CD1 4.16Å; R28-I32 WeakPolarHBondContact O-CG1 3.3Å; R28-I32 PolarHBondContact O-N 3Å; I32-S34 PolarHBondContact O-N 3.3Å; I32-Q35 PolarHBondContact O-N 2.96Å; I32-L86 HydrophobicContact CB-CD2 4.28Å; I32-L86 HydrophobicContact CD1-CD2 4.37Å; I32-L86 HydrophobicContact CD1-CG 4.49Å; I32-L86 HydrophobicContact CG2-CD1 4.25Å; I32-L86 HydrophobicContact CG2-CD2 3.98Å; I32-L86 HydrophobicContact CG2-CG 4.02Å; I32-V87 HydrophobicContact CD1-CG2 3.58Å; I32-Q90 VanDerWaalsContact CG2-OE1 3.22Å; I32-L95 HydrophobicContact CG2-CD2 4.34Å
33	L	97.6	Very high	97	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-71.8	-31	-173.9	-68.2	168.8	0	0	0	112.6	V15 V17 A29 Q30 Q35 L36 I38 L43 F45 L86	V15-L33 HydrophobicContact CG1-CD1 4.14Å; V15-L33 HydrophobicContact CG1-CD2 4.2Å; V17-L33 HydrophobicContact CG2-CD1 3.38Å; A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 2.89Å; A29-L33 VanDerWaalsContact O-N 3.11Å; Q30-L33 PolarHBondContact O-N 3.38Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 PolarHBondContact O-N 3.22Å; L33-L36 HydrophobicContact CD2-CD1 4.13Å; L33-L36 PolarHBondContact O-N 2.76Å; L33-I38 HydrophobicContact CD2-CD1 4.47Å; L33-L43 HydrophobicContact CB-CD1 4.04Å; L33-L43 HydrophobicContact CB-CD2 4.06Å; L33-L43 HydrophobicContact CD1-CD1 4.1Å; L33-F45 HydrophobicContact CB-CZ 4.25Å; L33-F45 HydrophobicContact CD1-CE1 4.22Å; L33-L86 HydrophobicContact CD1-CD2 4.21Å; L33-L86 HydrophobicContact CD2-CD1 4.01Å; L33-L86 HydrophobicContact CG-CD1 4.46Å; L33-L86 HydrophobicContact CG-CD2 4.1Å
34	S	96.1	Very high	97.1	Very high	78 Å²	78	72.4 Å²	72.4	55%	0.545	36%	0.361	S	S	.	.	H	α-helix	trans	-72.6	-18.4	178.8	-57.2	0	0	0	0	113.1	Q30 E31 I32 L36	Q30-S34 WeakPolarHBondContact O-CB 3.2Å; Q30-S34 PolarHBondContact O-N 2.87Å; Q30-S34 PolarHBondContact O-OG 3.45Å; E31-S34 PolarHBondContact O-N 3.34Å; I32-S34 PolarHBondContact O-N 3.3Å; S34-L36 VanDerWaalsContact C-N 3.34Å
35	Q	95.9	Very high	97.1	Very high	156 Å²	156	71 Å²	71	73%	0.729	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.2	174.4	-71.3	173	30.8	0	0	113	E31 I32 L33	E31-Q35 VanDerWaalsContact O-CG 3.3Å; E31-Q35 WeakPolarHBondContact O-CG 3.34Å; E31-Q35 PolarHBondContact O-N 2.96Å; I32-Q35 PolarHBondContact O-N 2.96Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 PolarHBondContact O-N 3.22Å
36	L	95.6	Very high	97.1	Very high	29 Å²	29	64.5 Å²	64.5	15%	0.152	32%	0.321	C	S	.	.	S	Bend	trans	-86.9	147.9	-179.2	-60.7	174.9	0	0	0	110.7	L33 S34 I38 L95 L96 L99	L33-L36 HydrophobicContact CD2-CD1 4.13Å; L33-L36 PolarHBondContact O-N 2.76Å; S34-L36 VanDerWaalsContact C-N 3.34Å; L36-I38 HydrophobicContact CB-CD1 4.16Å; L36-I38 HydrophobicContact CB-CG1 3.99Å; L36-I38 PolarHBondContact O-N 2.95Å; L36-L95 HydrophobicContact CD1-CD2 3.62Å; L36-L95 HydrophobicContact CD1-CG 4.05Å; L36-L96 HydrophobicContact CD2-CD2 4.1Å; L36-L99 HydrophobicContact CD1-CD1 3.67Å
37	P	95.7	Very high	97.1	Very high	68 Å²	68	66.8 Å²	66.8	44%	0.442	33%	0.333	S	S	.	.			trans	-77.6	58.6	178.8	33.8	-35.9	0	0	0	111	L105 Q106	P37-L105 HydrophobicContact CG-CD2 4.35Å; P37-L105 CarbonylContact O-C 3.57Å; P37-L105 WeakPolarHBondContact O-CA 3.42Å; P37-Q106 HydrophobicContact CB-CB 4.45Å; P37-Q106 PolarHBondContact O-N 2.94Å
38	I	96.6	Very high	97	Very high	24 Å²	24	60.1 Å²	60.1	12%	0.123	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-80.5	132.1	176.5	-60.8	170.3	0	0	0	108.4	V15 L33 L36 L42 L43 L99 A104 L105	V15-I38 HydrophobicContact CG2-CD1 4.25Å; L33-I38 HydrophobicContact CD2-CD1 4.47Å; L36-I38 HydrophobicContact CB-CD1 4.16Å; L36-I38 HydrophobicContact CB-CG1 3.99Å; L36-I38 PolarHBondContact O-N 2.95Å; I38-L42 HydrophobicContact CG2-CB 4.02Å; I38-L43 HydrophobicContact CD1-CD1 4.42Å; I38-L43 HydrophobicContact CD1-CD2 4.36Å; I38-L43 HydrophobicContact CG2-CB 4.08Å; I38-L99 HydrophobicContact CD1-CD1 4.21Å; I38-L99 HydrophobicContact CD1-CD2 4.32Å; I38-L99 HydrophobicContact CG1-CD1 4.2Å; I38-A104 CarbonylContact C-O 3.56Å; I38-A104 WeakPolarHBondContact CA-O 3.18Å; I38-A104 HydrophobicContact CG2-CB 4.46Å; I38-L105 HydrophobicContact CG1-CD2 4.35Å
39	K	96.8	Very high	96.9	Very high	92 Å²	92	57 Å²	57	40%	0.4	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-55.6	143.3	177.9	-66.7	172.5	173.1	147.5	0	111	G41 L42 G103 A104 L105	K39-G41 PolarHBondContact O-N 3.49Å; K39-L42 HydrophobicContact CB-CD1 3.8Å; K39-L42 HydrophobicContact CB-CG 4.07Å; K39-L42 HydrophobicContact CD-CD1 4.06Å; K39-L42 HydrophobicContact CG-CD1 4.45Å; K39-L42 WeakPolarHBondContact O-CB 3.33Å; K39-L42 PolarHBondContact O-N 3.3Å; K39-L42 VanDerWaalsContact O-N 3.09Å; K39-G103 PolarHBondContact NZ-O 3.04Å; K39-A104 PolarHBondContact N-O 3.21Å; K39-L105 WeakPolarHBondContact CE-O 3.39Å; K39-L105 PolarHBondContact NZ-O 3.34Å
40	Q	94	Very high	96.7	Very high	198 Å²	198	61 Å²	61	93%	0.925	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	134.2	178	-171.4	177	3.7	0	0	111.3	L42	Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 3.47Å
41	G	94.3	Very high	96.2	Very high	54 Å²	54	59.8 Å²	59.8	56%	0.557	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-3.6	179.8	0	0	0	0	0	115.3	K39	K39-G41 PolarHBondContact O-N 3.49Å
42	L	97.5	Very high	95.9	Very high	44 Å²	44	62.2 Å²	62.2	23%	0.23	35%	0.349	C	S	.	.	S	Bend	trans	-96	-9	175.2	-56.5	-169.4	0	0	0	113.7	K14 V15 I38 K39 Q40 A104	K14-L42 CarbonylContact C-O 3.55Å; K14-L42 WeakPolarHBondContact CA-O 3.28Å; K14-L42 HydrophobicContact CG-CD2 4.26Å; V15-L42 PolarHBondContact N-O 2.81Å; I38-L42 HydrophobicContact CG2-CB 4.02Å; K39-L42 HydrophobicContact CB-CD1 3.8Å; K39-L42 HydrophobicContact CB-CG 4.07Å; K39-L42 HydrophobicContact CD-CD1 4.06Å; K39-L42 HydrophobicContact CG-CD1 4.45Å; K39-L42 WeakPolarHBondContact O-CB 3.33Å; K39-L42 PolarHBondContact O-N 3.3Å; K39-L42 VanDerWaalsContact O-N 3.09Å; Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 3.47Å; L42-A104 HydrophobicContact CD1-CB 4.19Å
43	L	98.2	Very high	95.8	Very high	44 Å²	44	65.5 Å²	65.5	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.5	171.2	179.1	62	0	0	0	110	V15 L33 I38 F45	V15-L43 HydrophobicContact CB-CD1 3.87Å; V15-L43 HydrophobicContact CG1-CD1 3.7Å; V15-L43 WeakPolarHBondContact O-CA 3.23Å; L33-L43 HydrophobicContact CB-CD1 4.04Å; L33-L43 HydrophobicContact CB-CD2 4.06Å; L33-L43 HydrophobicContact CD1-CD1 4.1Å; I38-L43 HydrophobicContact CD1-CD1 4.42Å; I38-L43 HydrophobicContact CD1-CD2 4.36Å; I38-L43 HydrophobicContact CG2-CB 4.08Å; L43-F45 HydrophobicContact CD1-CE1 4.32Å; L43-F45 HydrophobicContact CD1-CE2 4.33Å; L43-F45 HydrophobicContact CD1-CZ 3.93Å; L43-F45 HydrophobicContact CD2-CE2 3.76Å; L43-F45 HydrophobicContact CD2-CZ 3.76Å; L43-F45 HydrophobicContact CG-CE2 3.87Å; L43-F45 HydrophobicContact CG-CZ 3.94Å
44	E	98.2	Very high	95.7	Very high	48 Å²	48	66.9 Å²	66.9	22%	0.224	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128	178.4	-171	176.1	175.8	0	0	111.3	K9 V15 V16 V17 V46	K9-E44 WeakPolarHBondContact CD-OE1 3.41Å; K9-E44 WeakPolarHBondContact CE-OE1 3.49Å; K9-E44 IonicContact NZ-OE1 3.93Å; K9-E44 PolarHBondContact NZ-OE1 3.12Å; V15-E44 PolarHBondContact O-N 3.22Å; V16-E44 WeakPolarHBondContact CA-O 3.32Å; V17-E44 PolarHBondContact N-O 2.91Å; E44-V46 HydrophobicContact CG-CG2 3.95Å
45	F	98.3	Very high	95.8	Very high	61 Å²	61	67.8 Å²	67.8	27%	0.268	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.1	170.6	-61.7	-71.6	0	0	0	109.2	V17 I19 Q30 L33 L43	V17-F45 HydrophobicContact CB-CD1 3.78Å; V17-F45 HydrophobicContact CB-CE1 4.06Å; V17-F45 HydrophobicContact CG1-CD1 4.49Å; V17-F45 HydrophobicContact CG2-CD1 4.08Å; V17-F45 HydrophobicContact CG2-CE1 3.87Å; V17-F45 WeakPolarHBondContact O-CA 3.26Å; I19-F45 HydrophobicContact CD1-CB 3.96Å; I19-F45 HydrophobicContact CG1-CB 4.5Å; I19-F45 HydrophobicContact CG2-CD1 4.46Å; Q30-F45 HydrophobicContact CB-CE1 4Å; Q30-F45 HydrophobicContact CB-CZ 4.01Å; Q30-F45 HydrophobicContact CG-CD1 3.42Å; Q30-F45 VanDerWaalsContact CG-CD1 3.42Å; Q30-F45 HydrophobicContact CG-CD2 4.3Å; Q30-F45 HydrophobicContact CG-CE1 3.33Å; Q30-F45 HydrophobicContact CG-CE2 4.19Å; Q30-F45 HydrophobicContact CG-CG 3.94Å; Q30-F45 HydrophobicContact CG-CZ 3.73Å; L33-F45 HydrophobicContact CB-CZ 4.25Å; L33-F45 HydrophobicContact CD1-CE1 4.22Å; L43-F45 HydrophobicContact CD1-CE1 4.32Å; L43-F45 HydrophobicContact CD1-CE2 4.33Å; L43-F45 HydrophobicContact CD1-CZ 3.93Å; L43-F45 HydrophobicContact CD2-CE2 3.76Å; L43-F45 HydrophobicContact CD2-CZ 3.76Å; L43-F45 HydrophobicContact CG-CE2 3.87Å; L43-F45 HydrophobicContact CG-CZ 3.94Å
46	V	98.1	Very high	95.9	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	107.2	-174.5	-176.3	0	0	0	0	109.2	F5 K9 V16 V17 F18 I19 E44 I48	F5-V46 HydrophobicContact CE1-CG1 3.75Å; F5-V46 HydrophobicContact CZ-CG1 3.47Å; F5-V46 VanDerWaalsContact CZ-CG1 3.47Å; K9-V46 HydrophobicContact CB-CG2 4.29Å; K9-V46 HydrophobicContact CD-CG2 4.16Å; K9-V46 HydrophobicContact CG-CG1 4.39Å; K9-V46 HydrophobicContact CG-CG2 3.99Å; V16-V46 HydrophobicContact CG1-CG2 3.83Å; V17-V46 PolarHBondContact O-N 3Å; F18-V46 WeakPolarHBondContact CA-O 3.4Å; F18-V46 HydrophobicContact CD1-CB 3.78Å; F18-V46 HydrophobicContact CD1-CG1 3.77Å; F18-V46 HydrophobicContact CD1-CG2 4.48Å; F18-V46 HydrophobicContact CE1-CB 4.05Å; F18-V46 HydrophobicContact CE1-CG1 3.85Å; F18-V46 HydrophobicContact CE1-CG2 4.35Å; I19-V46 WeakPolarHBondContact CG1-O 3.45Å; I19-V46 PolarHBondContact N-O 2.97Å; E44-V46 HydrophobicContact CG-CG2 3.95Å; V46-I48 PolarHBondContact O-N 2.79Å
47	D	97.9	Very high	96	Very high	48 Å²	48	63.3 Å²	63.3	26%	0.257	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	110.7	171.5	-176.5	-2.3	0	0	0	110.2	P21 T49 A50	P21-D47 WeakPolarHBondContact CD-OD1 3.44Å; P21-D47 WeakPolarHBondContact CD-OD2 3.5Å; P21-D47 WeakPolarHBondContact CG-OD2 3.47Å; D47-T49 VanDerWaalsContact CG-OG1 3.3Å; D47-T49 PolarHBondContact O-N 2.87Å; D47-T49 WeakPolarHBondContact OD1-CA 3.39Å; D47-T49 WeakPolarHBondContact OD1-CB 3.38Å; D47-T49 PolarHBondContact OD1-N 3.41Å; D47-T49 PolarHBondContact OD1-OG1 3.11Å; D47-T49 PolarHBondContact OD2-OG1 3.41Å; D47-A50 HydrophobicContact CB-CB 4.29Å; D47-A50 PolarHBondContact O-N 3.28Å
48	I	97.3	Very high	96.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-74.4	-18.2	-179.5	68.8	174.3	0	0	0	112.7	F18 I19 K20 V46 A50 T51 T54 I57 Q58 V70	F18-I48 HydrophobicContact CB-CG2 3.96Å; F18-I48 HydrophobicContact CD1-CG2 3.78Å; F18-I48 HydrophobicContact CG-CG2 4.34Å; I19-I48 PolarHBondContact O-N 3.34Å; I19-I48 VanDerWaalsContact O-N 3.16Å; K20-I48 HydrophobicContact CG-CD1 4.21Å; K20-I48 HydrophobicContact CG-CG1 3.92Å; V46-I48 PolarHBondContact O-N 2.79Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-T51 PolarHBondContact O-OG1 3.47Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; I48-T54 HydrophobicContact CD1-CG2 4.21Å; I48-T54 HydrophobicContact CG1-CG2 4.19Å; I48-T54 PolarHBondContact O-OG1 3.29Å; I48-T54 VanDerWaalsContact O-OG1 3.04Å; I48-I57 HydrophobicContact CB-CD1 4.39Å; I48-I57 HydrophobicContact CB-CG2 3.99Å; I48-I57 HydrophobicContact CD1-CG2 4.43Å; I48-I57 HydrophobicContact CG2-CG2 3.72Å; I48-Q58 HydrophobicContact CD1-CG 3.59Å; I48-V70 HydrophobicContact CD1-CG1 3.7Å; I48-V70 HydrophobicContact CG1-CG1 4.48Å
49	T	96.3	Very high	96.2	Very high	63 Å²	63	63 Å²	63	39%	0.387	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-80.9	-13.8	177.8	72.4	0	0	0	0	113.6	K20 D47 T51 T54	K20-T49 HydrophobicContact CB-CG2 4.25Å; K20-T49 HydrophobicContact CD-CG2 4.11Å; K20-T49 HydrophobicContact CG-CG2 3.78Å; D47-T49 VanDerWaalsContact CG-OG1 3.3Å; D47-T49 PolarHBondContact O-N 2.87Å; D47-T49 WeakPolarHBondContact OD1-CA 3.39Å; D47-T49 WeakPolarHBondContact OD1-CB 3.38Å; D47-T49 PolarHBondContact OD1-N 3.41Å; D47-T49 PolarHBondContact OD1-OG1 3.11Å; D47-T49 PolarHBondContact OD2-OG1 3.41Å; T49-T51 PolarHBondContact O-N 2.86Å; T49-T51 VanDerWaalsContact O-N 3.16Å; T49-T54 WeakPolarHBondContact CA-OG1 3.46Å; T49-T54 HydrophobicContact CG2-CG2 4.44Å
50	A	93.5	Very high	96.3	Very high	83 Å²	83	60.2 Å²	60.2	69%	0.686	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-69.1	-4.8	171.3	0	0	0	0	0	113	D47 I48	D47-A50 HydrophobicContact CB-CB 4.29Å; D47-A50 PolarHBondContact O-N 3.28Å; I48-A50 VanDerWaalsContact C-N 3.34Å
51	T	87.8	Confident	96.5	Very high	31 Å²	31	50.8 Å²	50.8	19%	0.19	29%	0.288	C	S	.	.	S	Bend	trans	-113.8	151.9	176.3	78.4	0	0	0	0	110.7	F5 I48 T49 H53 T54 I57	F5-T51 HydrophobicContact CE1-CG2 4.41Å; F5-T51 HydrophobicContact CE2-CG2 4.04Å; F5-T51 HydrophobicContact CZ-CG2 3.96Å; I48-T51 PolarHBondContact O-OG1 3.47Å; I48-T51 VanDerWaalsContact O-OG1 3.05Å; T49-T51 PolarHBondContact O-N 2.86Å; T49-T51 VanDerWaalsContact O-N 3.16Å; T51-H53 PolarHBondContact O-N 3.36Å; T51-H53 VanDerWaalsContact O-N 3.13Å; T51-H53 PolarHBondContact OG1-N 3.47Å; T51-T54 PolarHBondContact O-OG1 3.07Å; T51-I57 HydrophobicContact CG2-CD1 4.13Å; T51-I57 WeakPolarHBondContact OG1-CD1 3.32Å
52	N	91.3	Very high	96.7	Very high	164 Å²	164	52.7 Å²	52.7	88%	0.877	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	3.9	171.8	-66.2	-21.7	0	0	0	113.4
53	H	94	Very high	96.7	Very high	83 Å²	83	57.5 Å²	57.5	38%	0.384	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	31.6	-173.2	-60.4	-67.3	0	0	0	112.9	T51 N55 E56 I57	T51-H53 PolarHBondContact O-N 3.36Å; T51-H53 VanDerWaalsContact O-N 3.13Å; T51-H53 PolarHBondContact OG1-N 3.47Å; H53-N55 VanDerWaalsContact C-N 3.25Å; H53-N55 PolarHBondContact O-N 3.44Å; H53-E56 WeakPolarHBondContact CA-OE2 3.27Å; H53-E56 HydrophobicContact CB-CB 4.46Å; H53-E56 IonicContact CG-OE1 3.95Å; H53-E56 IonicContact ND1-OE1 3.05Å; H53-E56 PolarHBondContact ND1-OE1 3.21Å; H53-E56 IonicContact ND1-OE2 3.97Å; H53-E56 PolarHBondContact O-N 2.88Å; H53-I57 WeakPolarHBondContact O-CB 3.22Å; H53-I57 VanDerWaalsContact O-CG1 3.28Å; H53-I57 WeakPolarHBondContact O-CG1 3.27Å; H53-I57 PolarHBondContact O-N 3.39Å
54	T	96.1	Very high	96.7	Very high	30 Å²	30	59 Å²	59	18%	0.184	31%	0.311	C	S	.	.	H	α-helix	trans	-55.1	-41.9	-175.7	-65.1	0	0	0	0	111.9	I48 T49 T51 Q58	I48-T54 HydrophobicContact CD1-CG2 4.21Å; I48-T54 HydrophobicContact CG1-CG2 4.19Å; I48-T54 PolarHBondContact O-OG1 3.29Å; I48-T54 VanDerWaalsContact O-OG1 3.04Å; T49-T54 WeakPolarHBondContact CA-OG1 3.46Å; T49-T54 HydrophobicContact CG2-CG2 4.44Å; T51-T54 PolarHBondContact O-OG1 3.07Å; T54-Q58 VanDerWaalsContact O-CG 3.31Å; T54-Q58 WeakPolarHBondContact O-CG 3.45Å; T54-Q58 PolarHBondContact O-N 3.44Å
55	N	97.6	Very high	96.7	Very high	96 Å²	96	58.3 Å²	58.3	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-67.6	-46.8	-178.6	-78.6	-41.1	0	0	0	111.5	H53 I57 Q58 D59 R68	H53-N55 VanDerWaalsContact C-N 3.25Å; H53-N55 PolarHBondContact O-N 3.44Å; N55-I57 VanDerWaalsContact C-N 3.3Å; N55-I57 PolarHBondContact O-N 2.86Å; N55-Q58 PolarHBondContact O-N 3.45Å; N55-Q58 VanDerWaalsContact O-N 3.12Å; N55-D59 PolarHBondContact O-N 2.65Å; N55-R68 PolarHBondContact OD1-NH2 3.28Å; N55-R68 VanDerWaalsContact OD1-NH2 3.14Å
56	E	98.2	Very high	96.7	Very high	90 Å²	90	58.3 Å²	58.3	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-36	179.1	-56.6	96.5	131.5	0	0	111.7	A2 H53 D59 Y60	A2-E56 HydrophobicContact CB-CB 3.73Å; H53-E56 WeakPolarHBondContact CA-OE2 3.27Å; H53-E56 HydrophobicContact CB-CB 4.46Å; H53-E56 IonicContact CG-OE1 3.95Å; H53-E56 IonicContact ND1-OE1 3.05Å; H53-E56 PolarHBondContact ND1-OE1 3.21Å; H53-E56 IonicContact ND1-OE2 3.97Å; H53-E56 PolarHBondContact O-N 2.88Å; E56-D59 PolarHBondContact O-N 2.85Å; E56-Y60 WeakPolarHBondContact O-CB 3.46Å; E56-Y60 PolarHBondContact O-N 2.81Å
57	I	98.4	Very high	96.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-46.3	172.4	-70	166.1	0	0	0	110.5	A2 F5 V6 I48 T51 H53 N55 D59 Y60 L61	A2-I57 HydrophobicContact CB-CG1 3.84Å; F5-I57 HydrophobicContact CD1-CD1 3.66Å; F5-I57 HydrophobicContact CD1-CG1 4.11Å; F5-I57 HydrophobicContact CE1-CD1 3.75Å; V6-I57 HydrophobicContact CG2-CG2 3.83Å; I48-I57 HydrophobicContact CB-CD1 4.39Å; I48-I57 HydrophobicContact CB-CG2 3.99Å; I48-I57 HydrophobicContact CD1-CG2 4.43Å; I48-I57 HydrophobicContact CG2-CG2 3.72Å; T51-I57 HydrophobicContact CG2-CD1 4.13Å; T51-I57 WeakPolarHBondContact OG1-CD1 3.32Å; H53-I57 WeakPolarHBondContact O-CB 3.22Å; H53-I57 VanDerWaalsContact O-CG1 3.28Å; H53-I57 WeakPolarHBondContact O-CG1 3.27Å; H53-I57 PolarHBondContact O-N 3.39Å; N55-I57 VanDerWaalsContact C-N 3.3Å; N55-I57 PolarHBondContact O-N 2.86Å; I57-D59 VanDerWaalsContact C-N 3.35Å; I57-Y60 PolarHBondContact O-N 3.45Å; I57-L61 HydrophobicContact CG2-CD1 3.99Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 2.8Å
58	Q	98.3	Very high	96.6	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.065	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-40.5	178.7	-74.9	-167.1	-91.5	0	0	112.3	K20 I48 T54 N55 L61 Q62 R68	K20-Q58 VanDerWaalsContact NZ-CD 3.34Å; I48-Q58 HydrophobicContact CD1-CG 3.59Å; T54-Q58 VanDerWaalsContact O-CG 3.31Å; T54-Q58 WeakPolarHBondContact O-CG 3.45Å; T54-Q58 PolarHBondContact O-N 3.44Å; N55-Q58 PolarHBondContact O-N 3.45Å; N55-Q58 VanDerWaalsContact O-N 3.12Å; Q58-L61 PolarHBondContact O-N 2.81Å; Q58-Q62 PolarHBondContact O-N 3Å; Q58-R68 HydrophobicContact CB-CG 3.75Å; Q58-R68 PolarHBondContact NE2-O 3.42Å
59	D	98.5	Very high	96.6	Very high	73 Å²	73	64.8 Å²	64.8	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-40.9	178.3	-63	-12.8	0	0	0	110.7	N55 E56 I57 Q62 Q63 R68	N55-D59 PolarHBondContact O-N 2.65Å; E56-D59 PolarHBondContact O-N 2.85Å; I57-D59 VanDerWaalsContact C-N 3.35Å; D59-Q62 WeakPolarHBondContact O-CB 3.35Å; D59-Q62 PolarHBondContact O-N 3.03Å; D59-Q63 WeakPolarHBondContact O-CG 3.19Å; D59-Q63 PolarHBondContact O-N 2.9Å; D59-R68 IonicContact OD1-CZ 3.21Å; D59-R68 IonicContact OD1-NE 2.82Å; D59-R68 PolarHBondContact OD1-NE 3.38Å; D59-R68 IonicContact OD1-NH2 2.74Å; D59-R68 PolarHBondContact OD1-NH2 3.34Å
60	Y	98.3	Very high	96.7	Very high	33 Å²	33	62.7 Å²	62.7	13%	0.129	35%	0.349	C	S	.	.	H	α-helix	trans	-67.3	-39.8	173.7	-178	-117.4	0	0	0	112.8	Q3 V6 N7 E56 I57 Q62 Q63 L64	Q3-Y60 HydrophobicContact CB-CD1 4.32Å; Q3-Y60 HydrophobicContact CB-CD2 4.33Å; Q3-Y60 HydrophobicContact CB-CE1 4.12Å; Q3-Y60 HydrophobicContact CB-CE2 4.1Å; Q3-Y60 HydrophobicContact CB-CG 4.41Å; Q3-Y60 HydrophobicContact CG-CD1 4.26Å; Q3-Y60 HydrophobicContact CG-CD2 3.56Å; Q3-Y60 HydrophobicContact CG-CE1 4.38Å; Q3-Y60 HydrophobicContact CG-CE2 3.68Å; Q3-Y60 HydrophobicContact CG-CG 3.85Å; V6-Y60 HydrophobicContact CB-CD1 3.69Å; V6-Y60 HydrophobicContact CB-CE1 3.73Å; V6-Y60 HydrophobicContact CG1-CD1 3.82Å; V6-Y60 HydrophobicContact CG1-CE1 3.67Å; V6-Y60 HydrophobicContact CG2-CD1 3.93Å; V6-Y60 HydrophobicContact CG2-CE1 4.47Å; N7-Y60 VanDerWaalsContact CG-OH 3.25Å; N7-Y60 PolarHBondContact ND2-OH 2.95Å; N7-Y60 WeakPolarHBondContact OD1-CE1 3.01Å; N7-Y60 PolarHBondContact OD1-OH 2.97Å; E56-Y60 WeakPolarHBondContact O-CB 3.46Å; E56-Y60 PolarHBondContact O-N 2.81Å; I57-Y60 PolarHBondContact O-N 3.45Å; Y60-Q62 PolarHBondContact O-N 3.16Å; Y60-Q63 PolarHBondContact O-N 3.09Å; Y60-Q63 VanDerWaalsContact O-N 3.16Å; Y60-L64 HydrophobicContact CE1-CD2 4.14Å; Y60-L64 WeakPolarHBondContact O-CB 3.46Å; Y60-L64 PolarHBondContact O-N 3.43Å
61	L	98.3	Very high	97	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-35.7	172.4	-75.1	172.3	0	0	0	111.4	V6 F18 I57 Q58 L64 T65 A67 R72 F74	V6-L61 HydrophobicContact CG1-CD2 3.98Å; V6-L61 HydrophobicContact CG2-CD2 4.5Å; F18-L61 HydrophobicContact CB-CD1 4.02Å; F18-L61 HydrophobicContact CD2-CD2 3.85Å; F18-L61 HydrophobicContact CE2-CD2 4.09Å; F18-L61 HydrophobicContact CG-CD1 4.15Å; F18-L61 HydrophobicContact CG-CD2 4.27Å; I57-L61 HydrophobicContact CG2-CD1 3.99Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.41Å; I57-L61 VanDerWaalsContact O-CG 3.3Å; I57-L61 WeakPolarHBondContact O-CG 3.38Å; I57-L61 PolarHBondContact O-N 2.8Å; Q58-L61 PolarHBondContact O-N 2.81Å; L61-L64 PolarHBondContact O-N 3.12Å; L61-T65 VanDerWaalsContact O-CB 3.32Å; L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 WeakPolarHBondContact O-CG2 3.35Å; L61-T65 PolarHBondContact O-N 2.88Å; L61-T65 PolarHBondContact O-OG1 3.22Å; L61-A67 CarbonylContact C-O 3.42Å; L61-R72 HydrophobicContact CB-CG 4.38Å; L61-R72 HydrophobicContact CD1-CG 4.17Å; L61-R72 HydrophobicContact CD2-CB 4.36Å; L61-R72 HydrophobicContact CD2-CG 4.3Å; L61-F74 HydrophobicContact CD2-CE2 4.2Å; L61-F74 HydrophobicContact CD2-CZ 4.45Å
62	Q	98.4	Very high	97.5	Very high	93 Å²	93	58.5 Å²	58.5	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-45	173.2	-178.6	152.1	27.9	0	0	112.2	Q58 D59 Y60 L64 G66 A67 R68	Q58-Q62 PolarHBondContact O-N 3Å; D59-Q62 WeakPolarHBondContact O-CB 3.35Å; D59-Q62 PolarHBondContact O-N 3.03Å; Y60-Q62 PolarHBondContact O-N 3.16Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.34Å; Q62-G66 CarbonylContact O-C 3.58Å; Q62-G66 WeakPolarHBondContact O-CA 3.36Å; Q62-G66 PolarHBondContact O-N 2.75Å; Q62-A67 WeakPolarHBondContact CA-O 3.44Å; Q62-A67 PolarHBondContact N-O 3.46Å; Q62-R68 HydrophobicContact CB-CB 4.03Å; Q62-R68 HydrophobicContact CB-CG 4.48Å
63	Q	98.2	Very high	97.8	Very high	146 Å²	146	50.7 Å²	50.7	68%	0.682	27%	0.271	S	S	*	.	H	α-helix	trans	-60.7	-41	175.6	-68.8	174.9	-6.2	0	0	112	D59 Y60	D59-Q63 WeakPolarHBondContact O-CG 3.19Å; D59-Q63 PolarHBondContact O-N 2.9Å; Y60-Q63 PolarHBondContact O-N 3.09Å; Y60-Q63 VanDerWaalsContact O-N 3.16Å
64	L	97.8	Very high	98.1	Very high	76 Å²	76	46.9 Å²	46.9	40%	0.398	25%	0.253	S	S	.	.	H	α-helix	trans	-79.3	-35.3	-175.2	-176.9	61.6	0	0	0	113.5	V6 I10 Y60 L61 Q62 F74	V6-L64 HydrophobicContact CG1-CD2 4.1Å; I10-L64 HydrophobicContact CD1-CD2 3.86Å; Y60-L64 HydrophobicContact CE1-CD2 4.14Å; Y60-L64 WeakPolarHBondContact O-CB 3.46Å; Y60-L64 PolarHBondContact O-N 3.43Å; L61-L64 PolarHBondContact O-N 3.12Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.34Å; L64-F74 HydrophobicContact CD2-CE1 4.18Å; L64-F74 HydrophobicContact CD2-CZ 3.92Å; L64-F74 HydrophobicContact CG-CZ 4.49Å
65	T	97.9	Very high	98.2	Very high	32 Å²	32	45.6 Å²	45.6	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-120.9	-3.7	-167.9	74.8	0	0	0	0	114.1	L61 A67 R72 F74 C79	L61-T65 VanDerWaalsContact O-CB 3.32Å; L61-T65 WeakPolarHBondContact O-CB 3.33Å; L61-T65 WeakPolarHBondContact O-CG2 3.35Å; L61-T65 PolarHBondContact O-N 2.88Å; L61-T65 PolarHBondContact O-OG1 3.22Å; T65-A67 PolarHBondContact O-N 3.16Å; T65-A67 PolarHBondContact OG1-N 3.41Å; T65-A67 PolarHBondContact OG1-O 3.27Å; T65-R72 WeakPolarHBondContact OG1-CD 3.45Å; T65-F74 HydrophobicContact CG2-CE1 4.25Å; T65-F74 HydrophobicContact CG2-CE2 4.11Å; T65-F74 HydrophobicContact CG2-CZ 3.44Å; T65-F74 VanDerWaalsContact CG2-CZ 3.44Å; T65-C79 HydrophobicContact CG2-CB 3.8Å; T65-C79 WeakPolarHBondContact CG2-SG 3.45Å
66	G	97.7	Very high	98.1	Very high	61 Å²	61	41.1 Å²	41.1	63%	0.629	22%	0.222	S	C	*	.	S	Bend	trans	79.6	-4.9	-173.9	0	0	0	0	0	114.6	Q62	Q62-G66 CarbonylContact O-C 3.58Å; Q62-G66 WeakPolarHBondContact O-CA 3.36Å; Q62-G66 PolarHBondContact O-N 2.75Å
67	A	97.8	Very high	98.1	Very high	24 Å²	24	43.9 Å²	43.9	20%	0.198	23%	0.232	C	C	.	.			trans	-139.6	138.9	-177.9	0	0	0	0	0	113.8	L61 Q62 T65	L61-A67 CarbonylContact C-O 3.42Å; Q62-A67 WeakPolarHBondContact CA-O 3.44Å; Q62-A67 PolarHBondContact N-O 3.46Å; T65-A67 PolarHBondContact O-N 3.16Å; T65-A67 PolarHBondContact OG1-N 3.41Å; T65-A67 PolarHBondContact OG1-O 3.27Å
68	R	97.6	Very high	98	Very high	82 Å²	82	48 Å²	48	31%	0.309	25%	0.254	S	S	.	.			trans	-83.4	-18.4	-178.9	-161.9	169.7	-178.8	-88.5	-7.5	114.4	N55 Q58 D59 Q62	N55-R68 PolarHBondContact OD1-NH2 3.28Å; N55-R68 VanDerWaalsContact OD1-NH2 3.14Å; Q58-R68 HydrophobicContact CB-CG 3.75Å; Q58-R68 PolarHBondContact NE2-O 3.42Å; D59-R68 IonicContact OD1-CZ 3.21Å; D59-R68 IonicContact OD1-NE 2.82Å; D59-R68 PolarHBondContact OD1-NE 3.38Å; D59-R68 IonicContact OD1-NH2 2.74Å; D59-R68 PolarHBondContact OD1-NH2 3.34Å; Q62-R68 HydrophobicContact CB-CB 4.03Å; Q62-R68 HydrophobicContact CB-CG 4.48Å
69	T	97.6	Very high	98	Very high	86 Å²	86	49.4 Å²	49.4	53%	0.528	27%	0.265	S	S	.	.	S	Bend	trans	-89.4	144.8	-165.7	52.8	0	0	0	0	112.2	R72	T69-R72 PolarHBondContact O-NE 2.67Å
70	V	98.1	Very high	97.9	Very high	18 Å²	18	47 Å²	47	11%	0.109	25%	0.252	C	S	.	.	S	Bend	trans	-87.2	153.2	169.5	-65.4	0	0	0	0	110.7	K20 C23 I48	K20-V70 HydrophobicContact CB-CG2 3.99Å; K20-V70 HydrophobicContact CD-CG2 3.93Å; K20-V70 HydrophobicContact CG-CG1 4.29Å; K20-V70 HydrophobicContact CG-CG2 3.66Å; C23-V70 HydrophobicContact CB-CG2 4.23Å; I48-V70 HydrophobicContact CD1-CG1 3.7Å; I48-V70 HydrophobicContact CG1-CG1 4.48Å
71	P	98.6	Very high	97.9	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.026	25%	0.251	C	S	.	.	P	Polyproline II helix	cis	-70.8	151.6	-4.7	30	-34.4	0	0	0	112	V17 F18 A29 G82 C83	V17-P71 HydrophobicContact CG1-CB 3.83Å; F18-P71 VanDerWaalsContact O-CA 3.27Å; F18-P71 WeakPolarHBondContact O-CA 3.46Å; A29-P71 HydrophobicContact CB-CB 4.35Å; A29-P71 HydrophobicContact CB-CG 4.14Å; P71-G82 WeakPolarHBondContact O-CA 3.3Å; P71-C83 HydrophobicContact CG-CB 3.84Å
72	R	98.7	Very high	97.9	Very high	22 Å²	22	46 Å²	46	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119	160.7	-69.9	-61.6	90	-172.8	3.9	108.1	V17 F18 L61 T65 T69 F74 G81	V17-R72 WeakPolarHBondContact CA-O 3.33Å; F18-R72 HydrophobicContact CB-CB 4.4Å; F18-R72 HydrophobicContact CD2-CB 4.43Å; F18-R72 PolarHBondContact N-O 2.88Å; F18-R72 PolarHBondContact O-N 3.14Å; F18-R72 VanDerWaalsContact O-N 3.16Å; L61-R72 HydrophobicContact CB-CG 4.38Å; L61-R72 HydrophobicContact CD1-CG 4.17Å; L61-R72 HydrophobicContact CD2-CB 4.36Å; L61-R72 HydrophobicContact CD2-CG 4.3Å; T65-R72 WeakPolarHBondContact OG1-CD 3.45Å; T69-R72 PolarHBondContact O-NE 2.67Å; R72-F74 HydrophobicContact CB-CE2 4.2Å; R72-G81 WeakPolarHBondContact CA-O 3.39Å
73	V	98.6	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.3	-174.8	-176.9	0	0	0	0	109.5	V17 C79 I80 G81 L86	V17-V73 HydrophobicContact CG1-CG2 3.91Å; V17-V73 HydrophobicContact CG2-CG1 4.2Å; V17-V73 HydrophobicContact CG2-CG2 4.23Å; V73-C79 WeakPolarHBondContact O-CA 3.39Å; V73-C79 PolarHBondContact O-SG 3.35Å; V73-I80 HydrophobicContact CB-CD1 3.98Å; V73-I80 HydrophobicContact CB-CG1 3.64Å; V73-I80 HydrophobicContact CG1-CD1 3.66Å; V73-I80 HydrophobicContact CG1-CG1 3.7Å; V73-I80 PolarHBondContact O-N 3.23Å; V73-G81 PolarHBondContact N-O 3.34Å; V73-L86 HydrophobicContact CG2-CD2 4.3Å
74	F	98.7	Very high	97.9	Very high	4 Å²	4	39 Å²	39	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.2	173.8	-70.3	-100	0	0	0	109.9	I10 V15 V16 F18 L61 L64 T65 R72 D78 C79	I10-F74 HydrophobicContact CD1-CD1 3.85Å; I10-F74 HydrophobicContact CD1-CD2 4.39Å; I10-F74 HydrophobicContact CD1-CE1 3.51Å; I10-F74 HydrophobicContact CD1-CE2 4.1Å; I10-F74 HydrophobicContact CD1-CG 4.27Å; I10-F74 HydrophobicContact CD1-CZ 3.64Å; I10-F74 HydrophobicContact CG1-CD1 4.05Å; I10-F74 HydrophobicContact CG1-CD2 4.36Å; I10-F74 HydrophobicContact CG1-CE1 4.22Å; I10-F74 HydrophobicContact CG1-CG 4.11Å; I10-F74 HydrophobicContact CG1-CZ 4.46Å; I10-F74 HydrophobicContact CG2-CD1 4.1Å; V15-F74 VanDerWaalsContact CA-O 3.32Å; V15-F74 WeakPolarHBondContact CA-O 3.44Å; V16-F74 HydrophobicContact CB-CB 4.37Å; V16-F74 PolarHBondContact N-O 3.16Å; V16-F74 PolarHBondContact O-N 2.89Å; F18-F74 AromaticContact CD2-CD2 3.99Å; F18-F74 HydrophobicContact CD2-CD2 3.99Å; F18-F74 AromaticContact CD2-CE2 3.8Å; F18-F74 HydrophobicContact CD2-CE2 3.8Å; F18-F74 AromaticContact CE2-CD2 3.84Å; F18-F74 HydrophobicContact CE2-CD2 3.84Å; F18-F74 AromaticContact CE2-CE2 3.67Å; F18-F74 HydrophobicContact CE2-CE2 3.67Å; L61-F74 HydrophobicContact CD2-CE2 4.2Å; L61-F74 HydrophobicContact CD2-CZ 4.45Å; L64-F74 HydrophobicContact CD2-CE1 4.18Å; L64-F74 HydrophobicContact CD2-CZ 3.92Å; L64-F74 HydrophobicContact CG-CZ 4.49Å; T65-F74 HydrophobicContact CG2-CE1 4.25Å; T65-F74 HydrophobicContact CG2-CE2 4.11Å; T65-F74 HydrophobicContact CG2-CZ 3.44Å; T65-F74 VanDerWaalsContact CG2-CZ 3.44Å; R72-F74 HydrophobicContact CB-CE2 4.2Å; F74-D78 CarbonylContact C-O 3.59Å; F74-D78 VanDerWaalsContact CA-O 3.25Å; F74-D78 WeakPolarHBondContact CA-O 3.42Å; F74-C79 HydrophobicContact CD1-CB 3.86Å; F74-C79 HydrophobicContact CE1-CB 3.52Å; F74-C79 HydrophobicContact CE2-CB 4.42Å; F74-C79 HydrophobicContact CG-CB 4.46Å; F74-C79 HydrophobicContact CZ-CB 3.83Å
75	I	98.1	Very high	97.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	109.1	168.9	-58.3	178.8	0	0	0	106.3	K77 D78 I80 M89 L95 R98 L99 I102	I75-K77 PolarHBondContact O-N 2.96Å; I75-D78 PolarHBondContact N-O 2.78Å; I75-D78 PolarHBondContact O-N 2.74Å; I75-I80 HydrophobicContact CD1-CD1 4.28Å; I75-I80 HydrophobicContact CD1-CG2 4.05Å; I75-I80 HydrophobicContact CG1-CG2 4.19Å; I75-M89 HydrophobicContact CD1-SD 4.15Å; I75-L95 HydrophobicContact CD1-CD1 3.49Å; I75-L95 VanDerWaalsContact CD1-CD1 3.49Å; I75-R98 HydrophobicContact CD1-CB 4.18Å; I75-R98 HydrophobicContact CG2-CB 4.15Å; I75-L99 HydrophobicContact CG2-CD2 4.26Å; I75-I102 HydrophobicContact CG2-CD1 3.61Å; I75-I102 HydrophobicContact CG2-CG1 4.17Å; I75-I102 HydrophobicContact CG2-CG2 4.4Å
76	G	96.9	Very high	98	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-122.7	-166.6	0	0	0	0	0	110.8	I10 Q11 P12 K14	I10-G76 WeakPolarHBondContact CG2-O 3.38Å; Q11-G76 CarbonylContact O-C 3.42Å; Q11-G76 VanDerWaalsContact O-CA 3.27Å; Q11-G76 WeakPolarHBondContact O-CA 3.49Å; P12-G76 WeakPolarHBondContact O-CA 3.42Å; K14-G76 WeakPolarHBondContact O-CA 3.48Å; K14-G76 PolarHBondContact O-N 3.03Å
77	K	96.8	Very high	98	Very high	148 Å²	148	35.4 Å²	35.4	64%	0.643	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.8	175.2	-69.6	-171.8	169.8	-178.8	0	113.8	I10 P12 I75	I10-K77 HydrophobicContact CG2-CB 4.44Å; I10-K77 HydrophobicContact CG2-CG 4.3Å; P12-K77 HydrophobicContact CG-CD 4.29Å; P12-K77 HydrophobicContact CG-CG 4.21Å; I75-K77 PolarHBondContact O-N 2.96Å
78	D	97.6	Very high	98	Very high	87 Å²	87	37.5 Å²	37.5	47%	0.465	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.6	-175.3	-60.1	-25.4	0	0	0	110.2	F74 I75 R98	F74-D78 CarbonylContact C-O 3.59Å; F74-D78 VanDerWaalsContact CA-O 3.25Å; F74-D78 WeakPolarHBondContact CA-O 3.42Å; I75-D78 PolarHBondContact N-O 2.78Å; I75-D78 PolarHBondContact O-N 2.74Å; D78-R98 IonicContact OD2-CZ 3.45Å; D78-R98 IonicContact OD2-NH2 3.01Å; D78-R98 PolarHBondContact OD2-NH2 3.29Å
79	C	98.1	Very high	98	Very high	44 Å²	44	34.5 Å²	34.5	30%	0.297	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.1	166.5	-169.2	0	0	0	0	109.2	T65 V73 F74 G81	T65-C79 HydrophobicContact CG2-CB 3.8Å; T65-C79 WeakPolarHBondContact CG2-SG 3.45Å; V73-C79 WeakPolarHBondContact O-CA 3.39Å; V73-C79 PolarHBondContact O-SG 3.35Å; F74-C79 HydrophobicContact CD1-CB 3.86Å; F74-C79 HydrophobicContact CE1-CB 3.52Å; F74-C79 HydrophobicContact CE2-CB 4.42Å; F74-C79 HydrophobicContact CG-CB 4.46Å; F74-C79 HydrophobicContact CZ-CB 3.83Å; C79-G81 PolarHBondContact SG-N 2.94Å
80	I	97.3	Very high	98	Very high	22 Å²	22	34 Å²	34	11%	0.113	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-8.7	175.1	68.2	158.8	0	0	0	112.4	V73 I75 D85 L86 M89	V73-I80 HydrophobicContact CB-CD1 3.98Å; V73-I80 HydrophobicContact CB-CG1 3.64Å; V73-I80 HydrophobicContact CG1-CD1 3.66Å; V73-I80 HydrophobicContact CG1-CG1 3.7Å; V73-I80 PolarHBondContact O-N 3.23Å; I75-I80 HydrophobicContact CD1-CD1 4.28Å; I75-I80 HydrophobicContact CD1-CG2 4.05Å; I75-I80 HydrophobicContact CG1-CG2 4.19Å; I80-D85 WeakPolarHBondContact O-CB 3.26Å; I80-L86 HydrophobicContact CD1-CB 4.14Å; I80-L86 HydrophobicContact CD1-CD1 3.94Å; I80-M89 HydrophobicContact CB-CE 3.81Å; I80-M89 HydrophobicContact CB-SD 4.43Å; I80-M89 HydrophobicContact CD1-CE 4.34Å; I80-M89 HydrophobicContact CD1-SD 3.98Å; I80-M89 HydrophobicContact CG2-CE 3.64Å; I80-M89 HydrophobicContact CG2-SD 4.08Å
81	G	97.8	Very high	98	Very high	10 Å²	10	40.1 Å²	40.1	10%	0.103	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110	-138.2	-177.7	0	0	0	0	0	113.3	R72 V73 C79 D85	R72-G81 WeakPolarHBondContact CA-O 3.39Å; V73-G81 PolarHBondContact N-O 3.34Å; C79-G81 PolarHBondContact SG-N 2.94Å; G81-D85 WeakPolarHBondContact CA-OD2 3.42Å
82	G	98.2	Very high	97.9	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.021	24%	0.243	C	C	.	.	S	Bend	trans	-110.2	-156.9	-175.8	0	0	0	0	0	114.3	P71 S84 D85 L86	P71-G82 WeakPolarHBondContact O-CA 3.3Å; G82-S84 PolarHBondContact O-N 2.85Å; G82-D85 PolarHBondContact N-OD2 3.39Å; G82-D85 PolarHBondContact O-N 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 3.29Å
83	C	98.1	Very high	97.8	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-39.2	-176.6	-173.8	0	0	0	0	112.6	Y25 P71 L86 V87	Y25-C83 HydrophobicContact CD1-CB 4.33Å; P71-C83 HydrophobicContact CG-CB 3.84Å; C83-L86 PolarHBondContact O-N 3.37Å; C83-V87 VanDerWaalsContact O-CG2 3.26Å; C83-V87 WeakPolarHBondContact O-CG2 3.31Å; C83-V87 PolarHBondContact O-N 2.86Å
84	S	98.2	Very high	97.8	Very high	84 Å²	84	48.2 Å²	48.2	59%	0.587	27%	0.273	S	S	*	.	H	α-helix	trans	-65.7	-40.8	179.5	-55.1	0	0	0	0	111.8	G82 V87 S88	G82-S84 PolarHBondContact O-N 2.85Å; S84-V87 PolarHBondContact O-N 3.39Å; S84-S88 WeakPolarHBondContact O-CB 3.28Å; S84-S88 PolarHBondContact O-N 2.95Å; S84-S88 PolarHBondContact O-OG 3.49Å
85	D	98.4	Very high	97.7	Very high	78 Å²	78	48.1 Å²	48.1	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-44.1	177.4	-49.4	-65.3	0	0	0	110.6	I80 G81 G82 V87 S88 M89	I80-D85 WeakPolarHBondContact O-CB 3.26Å; G81-D85 WeakPolarHBondContact CA-OD2 3.42Å; G82-D85 PolarHBondContact N-OD2 3.39Å; G82-D85 PolarHBondContact O-N 3.28Å; D85-V87 PolarHBondContact O-N 3.44Å; D85-S88 PolarHBondContact O-N 3.18Å; D85-M89 VanDerWaalsContact O-CB 3.28Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3.29Å
86	L	98.3	Very high	97.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-44.6	174.2	177	64.1	0	0	0	112.3	A29 I32 L33 V73 I80 G82 C83 M89 Q90 L95	A29-L86 HydrophobicContact CB-CD2 3.73Å; I32-L86 HydrophobicContact CB-CD2 4.28Å; I32-L86 HydrophobicContact CD1-CD2 4.37Å; I32-L86 HydrophobicContact CD1-CG 4.49Å; I32-L86 HydrophobicContact CG2-CD1 4.25Å; I32-L86 HydrophobicContact CG2-CD2 3.98Å; I32-L86 HydrophobicContact CG2-CG 4.02Å; L33-L86 HydrophobicContact CD1-CD2 4.21Å; L33-L86 HydrophobicContact CD2-CD1 4.01Å; L33-L86 HydrophobicContact CG-CD1 4.46Å; L33-L86 HydrophobicContact CG-CD2 4.1Å; V73-L86 HydrophobicContact CG2-CD2 4.3Å; I80-L86 HydrophobicContact CD1-CB 4.14Å; I80-L86 HydrophobicContact CD1-CD1 3.94Å; G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 3.29Å; C83-L86 PolarHBondContact O-N 3.37Å; L86-M89 PolarHBondContact O-N 3.06Å; L86-Q90 WeakPolarHBondContact O-CB 3.48Å; L86-Q90 PolarHBondContact O-N 2.95Å; L86-L95 HydrophobicContact CD1-CD1 4.04Å; L86-L95 HydrophobicContact CD1-CD2 3.72Å
87	V	98.2	Very high	97.6	Very high	15 Å²	15	54.8 Å²	54.8	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-45.6	177.2	168.5	0	0	0	0	110.8	I32 C83 S84 D85 M89 Q90 Q91	I32-V87 HydrophobicContact CD1-CG2 3.58Å; C83-V87 VanDerWaalsContact O-CG2 3.26Å; C83-V87 WeakPolarHBondContact O-CG2 3.31Å; C83-V87 PolarHBondContact O-N 2.86Å; S84-V87 PolarHBondContact O-N 3.39Å; D85-V87 PolarHBondContact O-N 3.44Å; V87-M89 VanDerWaalsContact C-N 3.35Å; V87-M89 PolarHBondContact O-N 3.15Å; V87-Q90 PolarHBondContact O-N 2.81Å; V87-Q91 HydrophobicContact CG1-CG 4.48Å; V87-Q91 VanDerWaalsContact O-CG 3.29Å; V87-Q91 WeakPolarHBondContact O-CG 3.48Å; V87-Q91 PolarHBondContact O-N 3.21Å
88	S	98.3	Very high	97.6	Very high	68 Å²	68	50.2 Å²	50.2	48%	0.476	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-41.1	179.9	-54.3	0	0	0	0	111.5	S84 D85 Q91 S92	S84-S88 WeakPolarHBondContact O-CB 3.28Å; S84-S88 PolarHBondContact O-N 2.95Å; S84-S88 PolarHBondContact O-OG 3.49Å; D85-S88 PolarHBondContact O-N 3.18Å; S88-Q91 PolarHBondContact O-N 2.89Å; S88-S92 PolarHBondContact O-N 3.38Å; S88-S92 PolarHBondContact O-OG 3.09Å; S88-S92 VanDerWaalsContact O-OG 3.14Å
89	M	97.9	Very high	97.6	Very high	19 Å²	19	46 Å²	46	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-35	176.9	-167.9	-178.7	-79	0	0	112.5	I75 I80 D85 L86 V87 S92 G93 E94 L95 R98	I75-M89 HydrophobicContact CD1-SD 4.15Å; I80-M89 HydrophobicContact CB-CE 3.81Å; I80-M89 HydrophobicContact CB-SD 4.43Å; I80-M89 HydrophobicContact CD1-CE 4.34Å; I80-M89 HydrophobicContact CD1-SD 3.98Å; I80-M89 HydrophobicContact CG2-CE 3.64Å; I80-M89 HydrophobicContact CG2-SD 4.08Å; D85-M89 VanDerWaalsContact O-CB 3.28Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3.29Å; L86-M89 PolarHBondContact O-N 3.06Å; V87-M89 VanDerWaalsContact C-N 3.35Å; V87-M89 PolarHBondContact O-N 3.15Å; M89-S92 WeakPolarHBondContact CA-OG 3.46Å; M89-S92 PolarHBondContact O-OG 3.49Å; M89-S92 VanDerWaalsContact O-OG 3.08Å; M89-G93 PolarHBondContact O-N 2.72Å; M89-E94 HydrophobicContact CE-CG 4.5Å; M89-E94 HydrophobicContact CG-CB 3.74Å; M89-E94 HydrophobicContact CG-CG 3.92Å; M89-E94 PolarHBondContact O-N 3.21Å; M89-E94 HydrophobicContact SD-CG 4.39Å; M89-L95 HydrophobicContact CB-CB 4.48Å; M89-L95 HydrophobicContact CG-CB 3.95Å; M89-L95 PolarHBondContact O-N 3.38Å; M89-L95 HydrophobicContact SD-CB 4.44Å; M89-L95 HydrophobicContact SD-CD1 4.29Å; M89-R98 HydrophobicContact SD-CG 4.41Å
90	Q	97.3	Very high	97.5	Very high	75 Å²	75	50.7 Å²	50.7	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-46.9	171.9	-176.9	-171.3	-110.6	0	0	110.9	I32 L86 V87 S92 G93 L95	I32-Q90 VanDerWaalsContact CG2-OE1 3.22Å; L86-Q90 WeakPolarHBondContact O-CB 3.48Å; L86-Q90 PolarHBondContact O-N 2.95Å; V87-Q90 PolarHBondContact O-N 2.81Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 2.87Å; Q90-G93 PolarHBondContact O-N 3.28Å; Q90-G93 VanDerWaalsContact O-N 3.12Å; Q90-L95 HydrophobicContact CB-CD2 3.92Å; Q90-L95 HydrophobicContact CG-CD2 4.33Å
91	Q	97.2	Very high	97.4	Very high	147 Å²	147	56.2 Å²	56.2	69%	0.687	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-36	-177.8	-74.6	172.7	-13.4	0	0	112.9	V87 S88 G93	V87-Q91 HydrophobicContact CG1-CG 4.48Å; V87-Q91 VanDerWaalsContact O-CG 3.29Å; V87-Q91 WeakPolarHBondContact O-CG 3.48Å; V87-Q91 PolarHBondContact O-N 3.21Å; S88-Q91 PolarHBondContact O-N 2.89Å; Q91-G93 VanDerWaalsContact C-N 3.26Å; Q91-G93 PolarHBondContact O-N 3.12Å
92	S	97.7	Very high	97.4	Very high	81 Å²	81	57.9 Å²	57.9	57%	0.566	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-11	175.8	59.9	0	0	0	0	113.9	S88 M89 Q90 E94	S88-S92 PolarHBondContact O-N 3.38Å; S88-S92 PolarHBondContact O-OG 3.09Å; S88-S92 VanDerWaalsContact O-OG 3.14Å; M89-S92 WeakPolarHBondContact CA-OG 3.46Å; M89-S92 PolarHBondContact O-OG 3.49Å; M89-S92 VanDerWaalsContact O-OG 3.08Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 2.87Å; S92-E94 PolarHBondContact O-N 2.9Å; S92-E94 PolarHBondContact OG-N 3.39Å
93	G	96.5	Very high	97.2	Very high	31 Å²	31	59.5 Å²	59.5	32%	0.32	33%	0.33	S	S	.	.	S	Bend	trans	77.5	-3.9	-173.4	0	0	0	0	0	114.4	M89 Q90 Q91 L95 L96 T97	M89-G93 PolarHBondContact O-N 2.72Å; Q90-G93 PolarHBondContact O-N 3.28Å; Q90-G93 VanDerWaalsContact O-N 3.12Å; Q91-G93 VanDerWaalsContact C-N 3.26Å; Q91-G93 PolarHBondContact O-N 3.12Å; G93-L95 PolarHBondContact O-N 3.39Å; G93-L96 PolarHBondContact O-N 3.01Å; G93-T97 PolarHBondContact O-N 2.93Å
94	E	97.3	Very high	97.1	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	33%	0.327	S	S	.	.	H	α-helix	trans	-59.7	-33.1	177.4	-179.9	-177.1	170.3	0	0	111.6	M89 S92 L96 T97 R98	M89-E94 HydrophobicContact CE-CG 4.5Å; M89-E94 HydrophobicContact CG-CB 3.74Å; M89-E94 HydrophobicContact CG-CG 3.92Å; M89-E94 PolarHBondContact O-N 3.21Å; M89-E94 HydrophobicContact SD-CG 4.39Å; S92-E94 PolarHBondContact O-N 2.9Å; S92-E94 PolarHBondContact OG-N 3.39Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.86Å; E94-T97 WeakPolarHBondContact O-CA 3.35Å; E94-T97 WeakPolarHBondContact O-CB 3.42Å; E94-T97 PolarHBondContact O-N 2.82Å; E94-R98 HydrophobicContact CG-CG 3.98Å; E94-R98 WeakPolarHBondContact O-CG 3.5Å; E94-R98 PolarHBondContact O-N 3.14Å; E94-R98 IonicContact OE1-NH1 2.78Å; E94-R98 PolarHBondContact OE1-NH1 3.44Å
95	L	97.3	Very high	96.8	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-57.6	-47.5	-178.2	179.6	56.1	0	0	0	111.5	I32 L36 I75 L86 M89 Q90 G93 T97 R98 L99	I32-L95 HydrophobicContact CG2-CD2 4.34Å; L36-L95 HydrophobicContact CD1-CD2 3.62Å; L36-L95 HydrophobicContact CD1-CG 4.05Å; I75-L95 HydrophobicContact CD1-CD1 3.49Å; I75-L95 VanDerWaalsContact CD1-CD1 3.49Å; L86-L95 HydrophobicContact CD1-CD1 4.04Å; L86-L95 HydrophobicContact CD1-CD2 3.72Å; M89-L95 HydrophobicContact CB-CB 4.48Å; M89-L95 HydrophobicContact CG-CB 3.95Å; M89-L95 PolarHBondContact O-N 3.38Å; M89-L95 HydrophobicContact SD-CB 4.44Å; M89-L95 HydrophobicContact SD-CD1 4.29Å; Q90-L95 HydrophobicContact CB-CD2 3.92Å; Q90-L95 HydrophobicContact CG-CD2 4.33Å; G93-L95 PolarHBondContact O-N 3.39Å; L95-T97 VanDerWaalsContact C-N 3.31Å; L95-T97 PolarHBondContact O-N 3.28Å; L95-R98 PolarHBondContact O-N 2.74Å; L95-L99 HydrophobicContact CD1-CD1 4.13Å; L95-L99 HydrophobicContact CD1-CG 4.27Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.43Å
96	L	96.7	Very high	96.1	Very high	72 Å²	72	62.2 Å²	62.2	38%	0.377	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-38.4	177.3	-73.3	174.9	0	0	0	111.6	L36 G93 E94 L99 K100 L105	L36-L96 HydrophobicContact CD2-CD2 4.1Å; G93-L96 PolarHBondContact O-N 3.01Å; E94-L96 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 2.86Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.47Å; L96-K100 PolarHBondContact O-N 2.7Å; L96-L105 HydrophobicContact CD2-CD1 4.08Å
97	T	96.8	Very high	96	Very high	72 Å²	72	65.4 Å²	65.4	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-47.4	176.1	-61.3	0	0	0	0	111.3	G93 E94 L95 L99 K100 Q101	G93-T97 PolarHBondContact O-N 2.93Å; E94-T97 WeakPolarHBondContact O-CA 3.35Å; E94-T97 WeakPolarHBondContact O-CB 3.42Å; E94-T97 PolarHBondContact O-N 2.82Å; L95-T97 VanDerWaalsContact C-N 3.31Å; L95-T97 PolarHBondContact O-N 3.28Å; T97-L99 PolarHBondContact O-N 3.34Å; T97-K100 PolarHBondContact O-N 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.11Å; T97-Q101 PolarHBondContact O-N 3.29Å
98	R	97.1	Very high	95.9	Very high	52 Å²	52	68 Å²	68	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-43	178.4	-63.1	-69.2	-78.1	-90.8	6.5	111.6	I75 D78 M89 E94 L95 K100 Q101 I102	I75-R98 HydrophobicContact CD1-CB 4.18Å; I75-R98 HydrophobicContact CG2-CB 4.15Å; D78-R98 IonicContact OD2-CZ 3.45Å; D78-R98 IonicContact OD2-NH2 3.01Å; D78-R98 PolarHBondContact OD2-NH2 3.29Å; M89-R98 HydrophobicContact SD-CG 4.41Å; E94-R98 HydrophobicContact CG-CG 3.98Å; E94-R98 WeakPolarHBondContact O-CG 3.5Å; E94-R98 PolarHBondContact O-N 3.14Å; E94-R98 IonicContact OE1-NH1 2.78Å; E94-R98 PolarHBondContact OE1-NH1 3.44Å; L95-R98 PolarHBondContact O-N 2.74Å; R98-K100 VanDerWaalsContact C-N 3.33Å; R98-K100 PolarHBondContact O-N 2.8Å; R98-Q101 WeakPolarHBondContact O-CB 3.39Å; R98-Q101 PolarHBondContact O-N 2.65Å; R98-I102 PolarHBondContact O-N 3.16Å; R98-I102 VanDerWaalsContact O-N 3.16Å
99	L	97.3	Very high	95.7	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-36.5	177.2	-65.9	173	0	0	0	112.7	V15 L36 I38 I75 L95 L96 T97 I102 G103 A104 L105	V15-L99 HydrophobicContact CG2-CD2 3.28Å; L36-L99 HydrophobicContact CD1-CD1 3.67Å; I38-L99 HydrophobicContact CD1-CD1 4.21Å; I38-L99 HydrophobicContact CD1-CD2 4.32Å; I38-L99 HydrophobicContact CG1-CD1 4.2Å; I75-L99 HydrophobicContact CG2-CD2 4.26Å; L95-L99 HydrophobicContact CD1-CD1 4.13Å; L95-L99 HydrophobicContact CD1-CG 4.27Å; L95-L99 HydrophobicContact CG-CD1 4.11Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.43Å; L96-L99 PolarHBondContact O-N 3.41Å; T97-L99 PolarHBondContact O-N 3.34Å; L99-I102 WeakPolarHBondContact O-CG1 3.1Å; L99-G103 PolarHBondContact O-N 3.05Å; L99-A104 HydrophobicContact CD2-CB 4.3Å; L99-A104 PolarHBondContact O-N 3.16Å; L99-L105 HydrophobicContact CB-CD1 4.32Å; L99-L105 HydrophobicContact CB-CD2 3.56Å; L99-L105 HydrophobicContact CB-CG 3.73Å; L99-L105 HydrophobicContact CD1-CD2 3.83Å; L99-L105 HydrophobicContact CG-CD2 4.3Å
100	K	96.3	Very high	95.6	Very high	142 Å²	142	70.9 Å²	70.9	62%	0.617	37%	0.37	S	S	*	.	H	α-helix	trans	-64.7	-44.7	172.2	-73.8	176.3	-175.2	-179.8	0	111.8	L96 T97 R98 I102 G103 L105	L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.47Å; L96-K100 PolarHBondContact O-N 2.7Å; T97-K100 PolarHBondContact O-N 3.28Å; R98-K100 VanDerWaalsContact C-N 3.33Å; R98-K100 PolarHBondContact O-N 2.8Å; K100-I102 VanDerWaalsContact C-N 3.28Å; K100-I102 PolarHBondContact O-N 3.05Å; K100-G103 PolarHBondContact O-N 3.25Å; K100-L105 HydrophobicContact CD-CD1 4.33Å; K100-L105 HydrophobicContact CG-CD1 3.47Å; K100-L105 VanDerWaalsContact CG-CD1 3.47Å; K100-L105 HydrophobicContact CG-CG 4.24Å
101	Q	95.7	Very high	95.5	Very high	137 Å²	137	70.6 Å²	70.6	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-59.7	-37.7	-179.2	-74.6	170.2	-15	0	0	112.6	T97 R98 G103	T97-Q101 WeakPolarHBondContact O-CG 3.11Å; T97-Q101 PolarHBondContact O-N 3.29Å; R98-Q101 WeakPolarHBondContact O-CB 3.39Å; R98-Q101 PolarHBondContact O-N 2.65Å; Q101-G103 VanDerWaalsContact C-N 3.28Å; Q101-G103 PolarHBondContact O-N 3.44Å
102	I	95.8	Very high	95.4	Very high	46 Å²	46	65.5 Å²	65.5	24%	0.236	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.8	176.5	68	158.4	0	0	0	113.5	V15 I75 R98 L99 K100 A104	V15-I102 HydrophobicContact CG2-CD1 4.37Å; I75-I102 HydrophobicContact CG2-CD1 3.61Å; I75-I102 HydrophobicContact CG2-CG1 4.17Å; I75-I102 HydrophobicContact CG2-CG2 4.4Å; R98-I102 PolarHBondContact O-N 3.16Å; R98-I102 VanDerWaalsContact O-N 3.16Å; L99-I102 WeakPolarHBondContact O-CG1 3.1Å; K100-I102 VanDerWaalsContact C-N 3.28Å; K100-I102 PolarHBondContact O-N 3.05Å; I102-A104 HydrophobicContact CD1-CB 3.62Å; I102-A104 HydrophobicContact CG1-CB 3.65Å; I102-A104 PolarHBondContact O-N 3.13Å
103	G	95.1	Very high	95.2	Very high	36 Å²	36	64.4 Å²	64.4	37%	0.371	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	19.7	179.9	0	0	0	0	0	114.6	K39 L99 K100 Q101	K39-G103 PolarHBondContact NZ-O 3.04Å; L99-G103 PolarHBondContact O-N 3.05Å; K100-G103 PolarHBondContact O-N 3.25Å; Q101-G103 VanDerWaalsContact C-N 3.28Å; Q101-G103 PolarHBondContact O-N 3.44Å
104	A	94.9	Very high	95.1	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.			trans	-82.7	-18	-172.4	0	0	0	0	0	114.1	I38 K39 L42 L99 I102	I38-A104 CarbonylContact C-O 3.56Å; I38-A104 WeakPolarHBondContact CA-O 3.18Å; I38-A104 HydrophobicContact CG2-CB 4.46Å; K39-A104 PolarHBondContact N-O 3.21Å; L42-A104 HydrophobicContact CD1-CB 4.19Å; L99-A104 HydrophobicContact CD2-CB 4.3Å; L99-A104 PolarHBondContact O-N 3.16Å; I102-A104 HydrophobicContact CD1-CB 3.62Å; I102-A104 HydrophobicContact CG1-CB 3.65Å; I102-A104 PolarHBondContact O-N 3.13Å
105	L	93.8	Very high	95	Very high	23 Å²	23	65.6 Å²	65.6	12%	0.12	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-78.5	147.8	176.4	-60.1	-170.7	0	0	0	112.1	P37 I38 K39 L96 L99 K100	P37-L105 HydrophobicContact CG-CD2 4.35Å; P37-L105 CarbonylContact O-C 3.57Å; P37-L105 WeakPolarHBondContact O-CA 3.42Å; I38-L105 HydrophobicContact CG1-CD2 4.35Å; K39-L105 WeakPolarHBondContact CE-O 3.39Å; K39-L105 PolarHBondContact NZ-O 3.34Å; L96-L105 HydrophobicContact CD2-CD1 4.08Å; L99-L105 HydrophobicContact CB-CD1 4.32Å; L99-L105 HydrophobicContact CB-CD2 3.56Å; L99-L105 HydrophobicContact CB-CG 3.73Å; L99-L105 HydrophobicContact CD1-CD2 3.83Å; L99-L105 HydrophobicContact CG-CD2 4.3Å; K100-L105 HydrophobicContact CD-CD1 4.33Å; K100-L105 HydrophobicContact CG-CD1 3.47Å; K100-L105 VanDerWaalsContact CG-CD1 3.47Å; K100-L105 HydrophobicContact CG-CG 4.24Å
106	Q	82.8	Confident	94.7	Very high	205 Å²	205	71.4 Å²	71.4	96%	0.958	36%	0.36	S	S	*	.			trans	-65.5	0	171.5	-174.8	174.1	-3.3	0	0	112	P37	P37-Q106 HydrophobicContact CB-CB 4.45Å; P37-Q106 PolarHBondContact O-N 2.94Å

Retrieved 106 of 106 residues in 308.9 ms (Link to these results)

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