UB2D4_HUMAN Loading...

Ubiquitin-conjugating enzyme E2 D4

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro able to promote polyubiquitination using all 7 ubiquitin Lys residues, but may prefer 'Lys-11' and 'Lys-48'-linked polyubiquitination.

AlphaFold DB , UniProt , Accession Q9Y2X8, Species HUMAN (Homo sapiens, Human), Gene UBE2D4, Length 147 aa.

						>UB2D4_HUMAN|Q9Y2X8|UBE2D4
MALKRIQKELTDLQRDPPAQCSAGPVGDDLFHWQATIMGPNDSPYQGGVFFLTIHFPTDYPFKPPKVAFTTKIYHPNINSNGSICLDILRSQWSPALTVSKVLLSICSLLCDPNPDDPLVPEIAHTYKADREKYNRLAREWTQKYAM
					

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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	84.9	Confident	94.8	Very high	193 Å²	193	74.8 Å²	74.8	95%	0.951	36%	0.359	S	S	*	.				0	-47.1	0	-83.2	178.3	179.1	0	0	112	L3 K4 R5	M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.04Å; M1-K4 PolarHBondContact O-N 2.71Å; M1-K4 VanDerWaalsContact O-N 3.13Å; M1-R5 PolarHBondContact O-N 3.18Å; M1-R5 VanDerWaalsContact O-N 3.14Å
2	A	92.5	Very high	94.8	Very high	8 Å²	8	73.4 Å²	73.4	7%	0.066	36%	0.355	C	S	.	.	H	α-helix	trans	-46.3	-52	178.5	0	0	0	0	0	113.6	K4 R5 I6 F31 Y60	A2-K4 PolarHBondContact O-N 3.28Å; A2-R5 WeakPolarHBondContact O-CA 3.27Å; A2-R5 WeakPolarHBondContact O-CB 3.23Å; A2-R5 PolarHBondContact O-N 3.13Å; A2-I6 VanDerWaalsContact O-CG1 3.31Å; A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.47Å; A2-F31 HydrophobicContact CB-CE1 3.91Å; A2-F31 HydrophobicContact CB-CZ 4.09Å; A2-Y60 VanDerWaalsContact CA-O 3.22Å; A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.2Å
3	L	94.6	Very high	94.7	Very high	77 Å²	77	68.8 Å²	68.8	40%	0.403	33%	0.333	S	S	.	.	H	α-helix	trans	-55.6	-47.4	179.5	-174.3	62.8	0	0	0	113.6	M1 R5 I6 Q7 L30 F31	M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.04Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.86Å; L3-I6 PolarHBondContact O-N 2.87Å; L3-Q7 HydrophobicContact CD1-CG 4.38Å; L3-Q7 WeakPolarHBondContact O-CB 3.41Å; L3-Q7 WeakPolarHBondContact O-CG 3.34Å; L3-Q7 PolarHBondContact O-N 2.86Å; L3-L30 HydrophobicContact CD1-CB 3.94Å; L3-L30 HydrophobicContact CD1-CD1 3.54Å; L3-L30 HydrophobicContact CD1-CG 4.39Å; L3-F31 HydrophobicContact CB-CZ 4.5Å; L3-F31 HydrophobicContact CD1-CE2 4.16Å
4	K	95.7	Very high	94.5	Very high	169 Å²	169	73.9 Å²	73.9	74%	0.735	36%	0.356	S	S	*	.	H	α-helix	trans	-60.7	-38.6	177.3	-69.7	-173	177.2	-175.9	0	111.5	M1 A2 K8	M1-K4 PolarHBondContact O-N 2.71Å; M1-K4 VanDerWaalsContact O-N 3.13Å; A2-K4 PolarHBondContact O-N 3.28Å; K4-K8 WeakPolarHBondContact O-CB 3.46Å; K4-K8 PolarHBondContact O-N 3.14Å; K4-K8 VanDerWaalsContact O-N 3.07Å
5	R	96.4	Very high	94.4	Very high	61 Å²	61	82.5 Å²	82.5	23%	0.23	38%	0.384	C	S	.	.	H	α-helix	trans	-67.3	-46.3	177.2	173.7	61.9	-173.9	-94.8	-15.1	111.4	M1 A2 L3 K8 E9 Y60 P61 P95 L97	M1-R5 PolarHBondContact O-N 3.18Å; M1-R5 VanDerWaalsContact O-N 3.14Å; A2-R5 WeakPolarHBondContact O-CA 3.27Å; A2-R5 WeakPolarHBondContact O-CB 3.23Å; A2-R5 PolarHBondContact O-N 3.13Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 2.86Å; R5-K8 PolarHBondContact O-N 3.25Å; R5-E9 IonicContact CZ-OE1 2.69Å; R5-E9 IonicContact NE-OE1 3.88Å; R5-E9 PolarHBondContact NE-OE1 3.1Å; R5-E9 IonicContact NH2-OE1 3.82Å; R5-E9 PolarHBondContact NH2-OE1 3.38Å; R5-E9 PolarHBondContact O-N 2.83Å; R5-Y60 HydrophobicContact CG-CD1 3.99Å; R5-Y60 HydrophobicContact CG-CE1 3.69Å; R5-P61 HydrophobicContact CG-CB 4.37Å; R5-P61 HydrophobicContact CG-CG 4.15Å; R5-P95 PolarHBondContact NH1-O 2.9Å; R5-P95 PolarHBondContact NH2-O 3Å; R5-L97 PolarHBondContact NH2-O 3.12Å
6	I	97.1	Very high	94.2	Very high	0 Å²	0	84.8 Å²	84.8	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.5	-47.1	178	-68.8	167.4	0	0	0	110.7	A2 L3 K8 E9 L10 L30 F31 W33 F56 Y60	A2-I6 VanDerWaalsContact O-CG1 3.31Å; A2-I6 WeakPolarHBondContact O-CG1 3.18Å; A2-I6 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 2.87Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 2.85Å; I6-E9 PolarHBondContact O-N 2.91Å; I6-L10 PolarHBondContact O-N 3.43Å; I6-L30 HydrophobicContact CG2-CB 4.42Å; I6-L30 VanDerWaalsContact CG2-O 3.26Å; I6-L30 WeakPolarHBondContact CG2-O 3.22Å; I6-F31 HydrophobicContact CD1-CD1 3.73Å; I6-F31 HydrophobicContact CD1-CE1 3.65Å; I6-F31 HydrophobicContact CD1-CG 4.2Å; I6-F31 HydrophobicContact CD1-CZ 4.07Å; I6-W33 HydrophobicContact CG2-CH2 4.49Å; I6-W33 HydrophobicContact CG2-CZ2 3.5Å; I6-F56 HydrophobicContact CD1-CB 3.69Å; I6-F56 HydrophobicContact CD1-CD1 4.19Å; I6-F56 HydrophobicContact CD1-CD2 4.14Å; I6-F56 HydrophobicContact CD1-CG 3.74Å; I6-F56 HydrophobicContact CG1-CB 4.47Å; I6-F56 HydrophobicContact CG1-CD1 4.03Å; I6-F56 HydrophobicContact CG1-CD2 4.45Å; I6-F56 HydrophobicContact CG1-CE1 4.4Å; I6-F56 HydrophobicContact CG1-CG 4.06Å; I6-Y60 HydrophobicContact CD1-CD1 4.39Å; I6-Y60 HydrophobicContact CG1-CD1 3.79Å; I6-Y60 HydrophobicContact CG1-CE1 4.15Å
7	Q	96.3	Very high	93.8	Very high	87 Å²	87	84 Å²	84	41%	0.407	40%	0.403	S	S	.	.	H	α-helix	trans	-60.3	-42.5	176.7	-74.8	175.5	-34.6	0	0	111.9	L3 L10 T11 L30	L3-Q7 HydrophobicContact CD1-CG 4.38Å; L3-Q7 WeakPolarHBondContact O-CB 3.41Å; L3-Q7 WeakPolarHBondContact O-CG 3.34Å; L3-Q7 PolarHBondContact O-N 2.86Å; Q7-L10 WeakPolarHBondContact O-CB 3.47Å; Q7-L10 PolarHBondContact O-N 3.25Å; Q7-T11 PolarHBondContact O-N 2.82Å; Q7-T11 PolarHBondContact O-OG1 3.4Å; Q7-L30 HydrophobicContact CG-CD1 4Å
8	K	96.3	Very high	93.5	Very high	118 Å²	118	79.9 Å²	79.9	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-47.2	174.9	172.9	163.9	174.4	40.1	0	111.7	K4 R5 I6 L10 T11 D12	K4-K8 WeakPolarHBondContact O-CB 3.46Å; K4-K8 PolarHBondContact O-N 3.14Å; K4-K8 VanDerWaalsContact O-N 3.07Å; R5-K8 PolarHBondContact O-N 3.25Å; I6-K8 VanDerWaalsContact C-N 3.33Å; I6-K8 PolarHBondContact O-N 2.85Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.28Å; K8-T11 PolarHBondContact O-N 3.04Å; K8-D12 WeakPolarHBondContact CG-OD2 3.31Å; K8-D12 IonicContact NZ-OD1 3.21Å; K8-D12 PolarHBondContact NZ-OD1 3.07Å; K8-D12 IonicContact NZ-OD2 2.84Å; K8-D12 PolarHBondContact NZ-OD2 3.34Å; K8-D12 WeakPolarHBondContact O-CB 3.43Å; K8-D12 PolarHBondContact O-N 3.36Å
9	E	96.7	Very high	93.2	Very high	5 Å²	5	79.8 Å²	79.8	2%	0.023	40%	0.398	C	S	.	.	H	α-helix	trans	-63.9	-34.5	177.6	-73.3	-168.4	-131.9	0	0	112.7	R5 I6 D12 L13 W33 Y60 T98 V99	R5-E9 IonicContact CZ-OE1 2.69Å; R5-E9 IonicContact NE-OE1 3.88Å; R5-E9 PolarHBondContact NE-OE1 3.1Å; R5-E9 IonicContact NH2-OE1 3.82Å; R5-E9 PolarHBondContact NH2-OE1 3.38Å; R5-E9 PolarHBondContact O-N 2.83Å; I6-E9 PolarHBondContact O-N 2.91Å; E9-D12 PolarHBondContact O-N 2.88Å; E9-L13 WeakPolarHBondContact O-CB 3.37Å; E9-L13 WeakPolarHBondContact O-CG 3.39Å; E9-L13 PolarHBondContact O-N 3.16Å; E9-W33 HydrophobicContact CB-CH2 4.29Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.42Å; E9-Y60 PolarHBondContact OE1-OH 3.5Å; E9-Y60 PolarHBondContact OE2-OH 2.95Å; E9-T98 HydrophobicContact CG-CG2 4.41Å; E9-T98 WeakPolarHBondContact OE2-CA 3.46Å; E9-T98 WeakPolarHBondContact OE2-CB 3.43Å; E9-V99 PolarHBondContact OE2-N 3.39Å
10	L	96.3	Very high	93	Very high	22 Å²	22	80.1 Å²	80.1	12%	0.115	40%	0.398	C	S	.	.	H	α-helix	trans	-63.2	-47.1	174.6	-177.4	59	0	0	0	111.2	I6 Q7 K8 D12 L13 Q14 P25 L30 W33	I6-L10 PolarHBondContact O-N 3.43Å; Q7-L10 WeakPolarHBondContact O-CB 3.47Å; Q7-L10 PolarHBondContact O-N 3.25Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.28Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-D12 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 3.19Å; L10-Q14 VanDerWaalsContact O-CG 3.32Å; L10-Q14 WeakPolarHBondContact O-CG 3.44Å; L10-Q14 PolarHBondContact O-N 3.19Å; L10-P25 HydrophobicContact CD2-CG 4.13Å; L10-L30 HydrophobicContact CD2-CD2 4.22Å; L10-W33 HydrophobicContact CB-CH2 3.82Å; L10-W33 HydrophobicContact CB-CZ2 3.74Å; L10-W33 HydrophobicContact CD1-CH2 4.24Å; L10-W33 HydrophobicContact CD1-CZ2 4.17Å; L10-W33 HydrophobicContact CG-CZ2 4.39Å
11	T	95.8	Very high	93.1	Very high	83 Å²	83	76.7 Å²	76.7	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-42.1	175.7	-55.9	0	0	0	0	111.5	Q7 K8 Q14 R15	Q7-T11 PolarHBondContact O-N 2.82Å; Q7-T11 PolarHBondContact O-OG1 3.4Å; K8-T11 PolarHBondContact O-N 3.04Å; T11-Q14 PolarHBondContact O-N 3.43Å; T11-R15 WeakPolarHBondContact O-CB 3.31Å; T11-R15 PolarHBondContact O-N 3.5Å
12	D	94.9	Very high	93.6	Very high	58 Å²	58	70.4 Å²	70.4	31%	0.31	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-42.7	178.4	-67.2	-24.1	0	0	0	110.7	K8 E9 L10 R15 D16	K8-D12 WeakPolarHBondContact CG-OD2 3.31Å; K8-D12 IonicContact NZ-OD1 3.21Å; K8-D12 PolarHBondContact NZ-OD1 3.07Å; K8-D12 IonicContact NZ-OD2 2.84Å; K8-D12 PolarHBondContact NZ-OD2 3.34Å; K8-D12 WeakPolarHBondContact O-CB 3.43Å; K8-D12 PolarHBondContact O-N 3.36Å; E9-D12 PolarHBondContact O-N 2.88Å; L10-D12 VanDerWaalsContact C-N 3.34Å; L10-D12 PolarHBondContact O-N 3.43Å; D12-R15 PolarHBondContact O-N 2.88Å; D12-D16 PolarHBondContact O-N 2.85Å
13	L	93.8	Very high	93.8	Very high	13 Å²	13	71 Å²	71	7%	0.068	36%	0.362	C	S	.	.	H	α-helix	trans	-64.8	-38.5	175.1	-80.9	167.7	0	0	0	113.9	E9 L10 R15 D16 P17 P18 A23 W33 V99	E9-L13 WeakPolarHBondContact O-CB 3.37Å; E9-L13 WeakPolarHBondContact O-CG 3.39Å; E9-L13 PolarHBondContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.19Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-D16 CarbonylContact O-C 3.49Å; L13-P17 VanDerWaalsContact O-CA 3.26Å; L13-P17 WeakPolarHBondContact O-CA 3.38Å; L13-P17 WeakPolarHBondContact O-CB 3.47Å; L13-P17 VanDerWaalsContact O-N 3.15Å; L13-P18 VanDerWaalsContact CD2-CD 3.48Å; L13-P18 HydrophobicContact CD2-CG 4Å; L13-A23 HydrophobicContact CD1-CB 4.28Å; L13-W33 HydrophobicContact CD1-CE3 4.34Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; L13-V99 HydrophobicContact CD1-CB 4.19Å; L13-V99 HydrophobicContact CD1-CG1 4.04Å
14	Q	92	Very high	93.9	Very high	140 Å²	140	68.3 Å²	68.3	65%	0.654	35%	0.353	S	S	*	.	H	α-helix	trans	-68.9	-33.9	176.7	-74.8	174.3	-17.8	0	0	111.9	L10 T11	L10-Q14 VanDerWaalsContact O-CG 3.32Å; L10-Q14 WeakPolarHBondContact O-CG 3.44Å; L10-Q14 PolarHBondContact O-N 3.19Å; T11-Q14 PolarHBondContact O-N 3.43Å
15	R	92.8	Very high	93.9	Very high	204 Å²	204	62.6 Å²	62.6	77%	0.77	33%	0.333	S	S	*	.	H	α-helix	trans	-77.4	-39.6	179.3	-166.6	-176	81	176.1	5.9	112.2	T11 D12 L13	T11-R15 WeakPolarHBondContact O-CB 3.31Å; T11-R15 PolarHBondContact O-N 3.5Å; D12-R15 PolarHBondContact O-N 2.88Å; L13-R15 VanDerWaalsContact C-N 3.31Å
16	D	90.9	Very high	93.9	Very high	118 Å²	118	62.6 Å²	62.6	63%	0.631	34%	0.34	S	S	*	.	S	Bend	trans	-141.7	77.4	-174.2	-170.2	25.3	0	0	0	110	D12 L13	D12-D16 PolarHBondContact O-N 2.85Å; L13-D16 CarbonylContact O-C 3.49Å
17	P	87.9	Confident	93.7	Very high	72 Å²	72	65.6 Å²	65.6	47%	0.468	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-69.1	136.6	-178.4	26.8	-33.1	0	0	0	110.6	L13	L13-P17 VanDerWaalsContact O-CA 3.26Å; L13-P17 WeakPolarHBondContact O-CA 3.38Å; L13-P17 WeakPolarHBondContact O-CB 3.47Å; L13-P17 VanDerWaalsContact O-N 3.15Å
18	P	87.7	Confident	93.5	Very high	11 Å²	11	69.5 Å²	69.5	7%	0.071	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-58.2	143	174.1	15.1	-21.6	0	0	0	110.7	L13 Q20 C21 S100 L104	L13-P18 VanDerWaalsContact CD2-CD 3.48Å; L13-P18 HydrophobicContact CD2-CG 4Å; P18-Q20 PolarHBondContact O-N 3.35Å; P18-C21 HydrophobicContact CB-CB 3.91Å; P18-C21 HydrophobicContact CG-CB 3.63Å; P18-C21 PolarHBondContact O-N 2.94Å; P18-S100 WeakPolarHBondContact CG-OG 3.5Å; P18-L104 HydrophobicContact CB-CD1 4.26Å; P18-L104 HydrophobicContact CB-CD2 3.75Å; P18-L104 HydrophobicContact CB-CG 3.85Å
19	A	88	Confident	93.4	Very high	77 Å²	77	67.9 Å²	67.9	64%	0.636	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	133.7	179	0	0	0	0	0	110.5	C21	A19-C21 PolarHBondContact O-N 3.39Å; A19-C21 PolarHBondContact O-SG 2.76Å; A19-C21 VanDerWaalsContact O-SG 3.36Å
20	Q	89	Confident	93.4	Very high	85 Å²	85	69.7 Å²	69.7	40%	0.397	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	12.1	178.6	-68	-178.7	-30.6	0	0	115.2	P18 M38	P18-Q20 PolarHBondContact O-N 3.35Å; Q20-M38 HydrophobicContact CB-CB 3.95Å; Q20-M38 HydrophobicContact CB-CG 4.37Å; Q20-M38 HydrophobicContact CG-CB 4.28Å; Q20-M38 WeakPolarHBondContact O-CG 3.32Å; Q20-M38 PolarHBondContact O-N 2.87Å
21	C	94.8	Very high	93.4	Very high	10 Å²	10	71.5 Å²	71.5	7%	0.068	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.9	-175.2	-63.6	0	0	0	0	111.2	P18 A19 T36 L103 C107	P18-C21 HydrophobicContact CB-CB 3.91Å; P18-C21 HydrophobicContact CG-CB 3.63Å; P18-C21 PolarHBondContact O-N 2.94Å; A19-C21 PolarHBondContact O-N 3.39Å; A19-C21 PolarHBondContact O-SG 2.76Å; A19-C21 VanDerWaalsContact O-SG 3.36Å; C21-T36 CarbonylContact C-O 3.51Å; C21-T36 VanDerWaalsContact CA-O 3.29Å; C21-T36 WeakPolarHBondContact CA-O 3.34Å; C21-L103 HydrophobicContact CB-CB 4.19Å; C21-L103 HydrophobicContact CB-CD1 4.25Å; C21-C107 PolarHBondContact SG-SG 3.49Å
22	S	95.3	Very high	93.5	Very high	61 Å²	61	70 Å²	70	43%	0.427	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.1	168.6	63.9	0	0	0	0	110.3	A35 T36	S22-A35 CarbonylContact O-C 3.58Å; S22-A35 WeakPolarHBondContact O-CA 3.42Å; S22-A35 WeakPolarHBondContact O-CB 3.29Å; S22-T36 PolarHBondContact N-O 2.91Å; S22-T36 PolarHBondContact O-N 3.42Å
23	A	97	Very high	93.7	Very high	20 Å²	20	67.2 Å²	67.2	17%	0.165	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	151.3	172.8	0	0	0	0	0	111.5	L13 W33 Q34 A35 V99 L103	L13-A23 HydrophobicContact CD1-CB 4.28Å; A23-W33 HydrophobicContact CB-CE3 4.05Å; A23-Q34 CarbonylContact C-O 3.5Å; A23-Q34 VanDerWaalsContact CA-O 3.24Å; A23-Q34 WeakPolarHBondContact CA-O 3.45Å; A23-A35 HydrophobicContact CB-CB 3.74Å; A23-V99 HydrophobicContact CB-CG1 4.23Å; A23-L103 HydrophobicContact CB-CD1 4.02Å
24	G	96.1	Very high	93.9	Very high	21 Å²	21	71.2 Å²	71.2	22%	0.216	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	166.5	176	0	0	0	0	0	112.7	W33 Q34	G24-W33 CarbonylContact O-C 3.48Å; G24-W33 WeakPolarHBondContact O-CA 3.33Å; G24-W33 WeakPolarHBondContact O-CB 3.42Å; G24-Q34 PolarHBondContact N-O 2.99Å; G24-Q34 PolarHBondContact O-N 2.72Å
25	P	97.2	Very high	94.2	Very high	48 Å²	48	64.6 Å²	64.6	31%	0.312	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	147.3	-179.7	28.1	-35.3	0	0	0	112.5	L10 L30 H32 W33	L10-P25 HydrophobicContact CD2-CG 4.13Å; P25-L30 HydrophobicContact CB-CD2 4.06Å; P25-L30 HydrophobicContact CG-CD2 4.06Å; P25-H32 WeakPolarHBondContact CA-O 3.26Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å
26	V	95.5	Very high	94.4	Very high	62 Å²	62	56 Å²	56	38%	0.376	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.7	173	-178	0	0	0	0	108.2	H32 Q34	V26-H32 PolarHBondContact N-O 2.63Å; V26-Q34 HydrophobicContact CG2-CB 3.76Å
27	G	93.8	Very high	94.8	Very high	62 Å²	62	50.4 Å²	50.4	64%	0.639	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-136.4	-174.4	0	0	0	0	0	111.6
28	D	92.2	Very high	95.2	Very high	169 Å²	169	50.7 Å²	50.7	90%	0.904	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-8.3	-175.9	-61.2	-39.9	0	0	0	113.7	L30	D28-L30 PolarHBondContact O-N 3.22Å
29	D	94.3	Very high	95.7	Very high	85 Å²	85	50.3 Å²	50.3	46%	0.455	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	102.1	-179.6	-174.9	10.1	0	0	0	111.6	F31 H32	D29-F31 PolarHBondContact O-N 2.73Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 2.89Å; D29-H32 HydrophobicContact CB-CB 4.38Å; D29-H32 PolarHBondContact O-N 3.35Å; D29-H32 VanDerWaalsContact O-N 3.16Å; D29-H32 VanDerWaalsContact O-O 3.09Å
30	L	95.4	Very high	96.1	Very high	42 Å²	42	47 Å²	47	22%	0.22	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-15.9	176.1	-70	173.2	0	0	0	113.6	L3 I6 Q7 L10 P25 D28 W33	L3-L30 HydrophobicContact CD1-CB 3.94Å; L3-L30 HydrophobicContact CD1-CD1 3.54Å; L3-L30 HydrophobicContact CD1-CG 4.39Å; I6-L30 HydrophobicContact CG2-CB 4.42Å; I6-L30 VanDerWaalsContact CG2-O 3.26Å; I6-L30 WeakPolarHBondContact CG2-O 3.22Å; Q7-L30 HydrophobicContact CG-CD1 4Å; L10-L30 HydrophobicContact CD2-CD2 4.22Å; P25-L30 HydrophobicContact CB-CD2 4.06Å; P25-L30 HydrophobicContact CG-CD2 4.06Å; D28-L30 PolarHBondContact O-N 3.22Å; L30-W33 PolarHBondContact O-NE1 2.84Å
31	F	97.6	Very high	96.3	Very high	61 Å²	61	47.8 Å²	47.8	27%	0.268	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-3	176.8	-72	-100.5	0	0	0	113.5	A2 L3 I6 D29 H55 F56	A2-F31 HydrophobicContact CB-CE1 3.91Å; A2-F31 HydrophobicContact CB-CZ 4.09Å; L3-F31 HydrophobicContact CB-CZ 4.5Å; L3-F31 HydrophobicContact CD1-CE2 4.16Å; I6-F31 HydrophobicContact CD1-CD1 3.73Å; I6-F31 HydrophobicContact CD1-CE1 3.65Å; I6-F31 HydrophobicContact CD1-CG 4.2Å; I6-F31 HydrophobicContact CD1-CZ 4.07Å; D29-F31 PolarHBondContact O-N 2.73Å; D29-F31 WeakPolarHBondContact OD1-CB 3.37Å; D29-F31 PolarHBondContact OD1-N 2.89Å; F31-H55 WeakPolarHBondContact O-CA 3.49Å; F31-F56 HydrophobicContact CB-CB 4.47Å; F31-F56 HydrophobicContact CD1-CB 3.84Å; F31-F56 WeakPolarHBondContact O-CD2 3.24Å; F31-F56 PolarHBondContact O-N 3.23Å
32	H	98.3	Very high	96.2	Very high	50 Å²	50	55 Å²	55	23%	0.231	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.8	175.8	-179.8	-149.5	0	0	0	110.9	P25 V26 D29 T53 H55	P25-H32 WeakPolarHBondContact CA-O 3.26Å; V26-H32 PolarHBondContact N-O 2.63Å; D29-H32 HydrophobicContact CB-CB 4.38Å; D29-H32 PolarHBondContact O-N 3.35Å; D29-H32 VanDerWaalsContact O-N 3.16Å; D29-H32 VanDerWaalsContact O-O 3.09Å; H32-T53 PolarHBondContact CD2-OG1 2.76Å; H32-T53 PolarHBondContact NE2-OG1 2.82Å; H32-H55 AromaticContact CD2-CD2 3.66Å; H32-H55 AromaticContact CD2-CE1 3.39Å; H32-H55 PolarHBondContact CD2-CE1 2.95Å; H32-H55 AromaticContact CD2-ND1 3.88Å; H32-H55 AromaticContact CD2-NE2 3.25Å; H32-H55 PolarHBondContact CD2-NE2 3.42Å; H32-H55 VanDerWaalsContact CD2-NE2 3.25Å; H32-H55 AromaticContact CG-NE2 3.83Å; H32-H55 AromaticContact NE2-CE1 3.38Å; H32-H55 PolarHBondContact NE2-CE1 2.88Å; H32-H55 AromaticContact NE2-NE2 3.43Å; H32-H55 PolarHBondContact NE2-NE2 3.19Å
33	W	98.3	Very high	96.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.9	178.7	-68.7	16.2	0	0	0	111.8	I6 E9 L10 L13 A23 G24 P25 L30 I54 F56 V99	I6-W33 HydrophobicContact CG2-CH2 4.49Å; I6-W33 HydrophobicContact CG2-CZ2 3.5Å; E9-W33 HydrophobicContact CB-CH2 4.29Å; L10-W33 HydrophobicContact CB-CH2 3.82Å; L10-W33 HydrophobicContact CB-CZ2 3.74Å; L10-W33 HydrophobicContact CD1-CH2 4.24Å; L10-W33 HydrophobicContact CD1-CZ2 4.17Å; L10-W33 HydrophobicContact CG-CZ2 4.39Å; L13-W33 HydrophobicContact CD1-CE3 4.34Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.4Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.4Å; A23-W33 HydrophobicContact CB-CE3 4.05Å; G24-W33 CarbonylContact O-C 3.48Å; G24-W33 WeakPolarHBondContact O-CA 3.33Å; G24-W33 WeakPolarHBondContact O-CB 3.42Å; P25-W33 VanDerWaalsContact CA-CD1 3.42Å; L30-W33 PolarHBondContact O-NE1 2.84Å; W33-I54 HydrophobicContact CB-CB 4.13Å; W33-I54 PolarHBondContact N-O 2.84Å; W33-I54 PolarHBondContact O-N 3.03Å; W33-F56 HydrophobicContact CB-CE2 4.17Å; W33-F56 AromaticContact CD1-CE2 3.64Å; W33-F56 AromaticContact CD2-CE2 3.54Å; W33-F56 HydrophobicContact CD2-CE2 3.54Å; W33-F56 AromaticContact CD2-CZ 3.74Å; W33-F56 HydrophobicContact CD2-CZ 3.74Å; W33-F56 AromaticContact CE2-CE2 3.66Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.09Å; W33-F56 AromaticContact CE3-CZ 3.8Å; W33-F56 HydrophobicContact CE3-CZ 3.8Å; W33-F56 AromaticContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CZ 4.2Å; W33-F56 HydrophobicContact CH2-CZ 4.26Å; W33-F56 HydrophobicContact CZ2-CE2 4.31Å; W33-F56 HydrophobicContact CZ2-CZ 4.21Å; W33-F56 HydrophobicContact CZ3-CZ 4.04Å; W33-F56 AromaticContact NE1-CE2 3.67Å; W33-V99 HydrophobicContact CE3-CG1 4.24Å; W33-V99 HydrophobicContact CE3-CG2 4.33Å; W33-V99 HydrophobicContact CZ3-CB 4.17Å; W33-V99 HydrophobicContact CZ3-CG1 4.06Å; W33-V99 HydrophobicContact CZ3-CG2 3.89Å
34	Q	98.3	Very high	96.3	Very high	97 Å²	97	52.2 Å²	52.2	45%	0.453	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.3	162	-178.9	175.4	86.3	0	0	108.1	A23 G24 V26 F51 L52	A23-Q34 CarbonylContact C-O 3.5Å; A23-Q34 VanDerWaalsContact CA-O 3.24Å; A23-Q34 WeakPolarHBondContact CA-O 3.45Å; G24-Q34 PolarHBondContact N-O 2.99Å; G24-Q34 PolarHBondContact O-N 2.72Å; V26-Q34 HydrophobicContact CG2-CB 3.76Å; Q34-F51 HydrophobicContact CG-CD1 4.42Å; Q34-L52 WeakPolarHBondContact CA-O 3.45Å
35	A	98.1	Very high	96.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.7	170.4	0	0	0	0	0	110.6	S22 A23 F51 L52 I54 L103	S22-A35 CarbonylContact O-C 3.58Å; S22-A35 WeakPolarHBondContact O-CA 3.42Å; S22-A35 WeakPolarHBondContact O-CB 3.29Å; A23-A35 HydrophobicContact CB-CB 3.74Å; A35-F51 CarbonylContact O-C 3.56Å; A35-F51 WeakPolarHBondContact O-CA 3.37Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 3.21Å; A35-L52 PolarHBondContact O-N 2.9Å; A35-I54 HydrophobicContact CB-CD1 3.79Å; A35-I54 HydrophobicContact CB-CG1 4.39Å; A35-L103 HydrophobicContact CB-CD1 4.22Å; A35-L103 HydrophobicContact CB-CD2 3.69Å
36	T	97.6	Very high	96.4	Very high	24 Å²	24	53.7 Å²	53.7	15%	0.147	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.9	175.9	-57.1	0	0	0	0	108.4	C21 S22 M38 V49 F50 F51	C21-T36 CarbonylContact C-O 3.51Å; C21-T36 VanDerWaalsContact CA-O 3.29Å; C21-T36 WeakPolarHBondContact CA-O 3.34Å; S22-T36 PolarHBondContact N-O 2.91Å; S22-T36 PolarHBondContact O-N 3.42Å; T36-M38 HydrophobicContact CG2-SD 4.48Å; T36-V49 HydrophobicContact CG2-CG1 3.43Å; T36-V49 VanDerWaalsContact CG2-CG1 3.43Å; T36-F50 CarbonylContact C-O 3.58Å; T36-F50 WeakPolarHBondContact CA-O 3.28Å; T36-F51 HydrophobicContact CG2-CE1 4.36Å
37	I	97.7	Very high	96.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.1	171.6	-69.6	176.6	0	0	0	107.7	F50 L52 L103 I106 C107 L110	I37-F50 PolarHBondContact N-O 3.3Å; I37-F50 PolarHBondContact O-N 3.36Å; I37-L52 HydrophobicContact CB-CD1 4.16Å; I37-L52 HydrophobicContact CD1-CD1 3.72Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.82Å; I37-L103 HydrophobicContact CD1-CD2 4.13Å; I37-L103 HydrophobicContact CG1-CD2 4.31Å; I37-I106 HydrophobicContact CD1-CB 3.91Å; I37-I106 HydrophobicContact CD1-CG2 3.53Å; I37-C107 WeakPolarHBondContact CG2-SG 3.4Å; I37-L110 HydrophobicContact CG2-CD1 4.01Å
38	M	97.8	Very high	96.7	Very high	78 Å²	78	50 Å²	50	38%	0.384	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.5	168.6	-53.1	-60.8	-62.1	0	0	108.5	Q20 T36 P40 V49	Q20-M38 HydrophobicContact CB-CB 3.95Å; Q20-M38 HydrophobicContact CB-CG 4.37Å; Q20-M38 HydrophobicContact CG-CB 4.28Å; Q20-M38 WeakPolarHBondContact O-CG 3.32Å; Q20-M38 PolarHBondContact O-N 2.87Å; T36-M38 HydrophobicContact CG2-SD 4.48Å; M38-P40 WeakPolarHBondContact O-CD 3.21Å; M38-V49 HydrophobicContact CE-CG2 3.79Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 4.02Å
39	G	97.1	Very high	96.9	Very high	4 Å²	4	44 Å²	44	4%	0.041	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-54.8	122.3	175.2	0	0	0	0	0	111.3	Y45 G48	G39-Y45 VanDerWaalsContact CA-O 3.28Å; G39-Y45 WeakPolarHBondContact CA-O 3.34Å; G39-G48 PolarHBondContact N-O 2.94Å
40	P	96	Very high	97.2	Very high	6 Å²	6	40 Å²	40	4%	0.039	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-58.6	148.6	-176	-26.4	34.8	0	0	0	112.6	M38 S43 Q46 L110 C111	M38-P40 WeakPolarHBondContact O-CD 3.21Å; P40-S43 WeakPolarHBondContact O-CB 3.17Å; P40-S43 PolarHBondContact O-N 3.32Å; P40-S43 PolarHBondContact O-OG 2.81Å; P40-Q46 WeakPolarHBondContact O-CA 3.41Å; P40-Q46 WeakPolarHBondContact O-CB 3.46Å; P40-L110 HydrophobicContact CG-CB 4.26Å; P40-C111 WeakPolarHBondContact CB-SG 3.49Å; P40-C111 VanDerWaalsContact CG-SG 3.59Å
41	N	94.1	Very high	97.3	Very high	102 Å²	102	41.7 Å²	41.7	55%	0.545	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	151.9	173.2	-65.9	-24.6	0	0	0	110.5	S43	N41-S43 PolarHBondContact O-N 3.29Å; N41-S43 VanDerWaalsContact O-N 3.09Å
42	D	93.3	Very high	97.3	Very high	161 Å²	161	38.8 Å²	38.8	86%	0.861	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	20.5	-179.6	-54.5	-51.4	0	0	0	113.9
43	S	95.9	Very high	97.3	Very high	11 Å²	11	37.7 Å²	37.7	8%	0.077	21%	0.208	C	C	.	.	S	Bend	trans	-114.4	160.3	175	84.7	0	0	0	0	110.7	P40 N41 Y45 Q46	P40-S43 WeakPolarHBondContact O-CB 3.17Å; P40-S43 PolarHBondContact O-N 3.32Å; P40-S43 PolarHBondContact O-OG 2.81Å; N41-S43 PolarHBondContact O-N 3.29Å; N41-S43 VanDerWaalsContact O-N 3.09Å; S43-Y45 PolarHBondContact O-N 2.9Å; S43-Y45 VanDerWaalsContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CB 3.46Å; S43-Y45 PolarHBondContact OG-N 3.45Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; S43-Q46 WeakPolarHBondContact O-CB 3.35Å; S43-Q46 PolarHBondContact O-N 3.17Å; S43-Q46 PolarHBondContact OG-N 2.86Å
44	P	97.8	Very high	97.4	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.084	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-4.9	172	31	-36.6	0	0	0	113.6	Y134 N135 A138 R139 T142	P44-Y134 HydrophobicContact CG-CE1 4.25Å; P44-N135 HydrophobicContact CB-CB 4.48Å; P44-A138 HydrophobicContact CB-CB 3.55Å; P44-A138 HydrophobicContact CG-CB 3.72Å; P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.46Å; P44-R139 WeakPolarHBondContact O-CG 3.35Å; P44-T142 PolarHBondContact O-OG1 2.88Å
45	Y	98.2	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-9.6	177.2	-51.9	-63.9	0	0	0	112.9	G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142	G39-Y45 VanDerWaalsContact CA-O 3.28Å; G39-Y45 WeakPolarHBondContact CA-O 3.34Å; S43-Y45 PolarHBondContact O-N 2.9Å; S43-Y45 VanDerWaalsContact O-N 3.08Å; S43-Y45 WeakPolarHBondContact OG-CB 3.46Å; S43-Y45 PolarHBondContact OG-N 3.45Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; Y45-G47 PolarHBondContact O-N 3.29Å; Y45-G48 PolarHBondContact O-N 3.02Å; Y45-F50 HydrophobicContact CD1-CE2 4.49Å; Y45-F50 AromaticContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CG-CZ 4.3Å; Y45-I73 HydrophobicContact CD1-CD1 3.86Å; Y45-I73 HydrophobicContact CD1-CG1 4.02Å; Y45-I73 HydrophobicContact CE1-CD1 3.67Å; Y45-I73 HydrophobicContact CE1-CG1 3.56Å; Y45-Y74 PolarHBondContact OH-O 3.42Å; Y45-H75 AromaticContact CZ-CD2 3.89Å; Y45-H75 PolarHBondContact OH-CD2 2.87Å; Y45-H75 VanDerWaalsContact OH-CD2 3.22Å; Y45-L110 HydrophobicContact CD2-CB 3.93Å; Y45-L110 HydrophobicContact CD2-CD2 4.49Å; Y45-L110 HydrophobicContact CE2-CB 4.17Å; Y45-L110 HydrophobicContact CE2-CD2 4.32Å; Y45-L110 VanDerWaalsContact CE2-O 3.24Å; Y45-L110 WeakPolarHBondContact CE2-O 3.47Å; Y45-Y134 PolarHBondContact OH-OH 3.14Å; Y45-A138 HydrophobicContact CE1-CB 4.1Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.39Å; Y45-T142 WeakPolarHBondContact O-CG2 3.4Å
46	Q	97.4	Very high	97.4	Very high	99 Å²	99	37.6 Å²	37.6	46%	0.463	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	132.4	-177.3	-177	173.8	-27.6	0	0	112.1	P40 S43 G48	P40-Q46 WeakPolarHBondContact O-CA 3.41Å; P40-Q46 WeakPolarHBondContact O-CB 3.46Å; S43-Q46 WeakPolarHBondContact O-CB 3.35Å; S43-Q46 PolarHBondContact O-N 3.17Å; S43-Q46 PolarHBondContact OG-N 2.86Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 3.07Å
47	G	96.6	Very high	97.3	Very high	46 Å²	46	38 Å²	38	47%	0.474	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-11.4	-178.4	0	0	0	0	0	114.7	Y45	Y45-G47 PolarHBondContact O-N 3.29Å
48	G	98.1	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.247	C	C	.	.			trans	-79.4	153.8	173.6	0	0	0	0	0	113.7	G39 Y45 Q46 A146	G39-G48 PolarHBondContact N-O 2.94Å; Y45-G48 PolarHBondContact O-N 3.02Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 3.07Å; G48-A146 CarbonylContact C-O 3.53Å; G48-A146 WeakPolarHBondContact CA-O 3.48Å
49	V	98.3	Very high	97.2	Very high	45 Å²	45	42.9 Å²	42.9	27%	0.273	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.2	172.2	-174.7	0	0	0	0	108.1	T36 M38 F51 A146	T36-V49 HydrophobicContact CG2-CG1 3.43Å; T36-V49 VanDerWaalsContact CG2-CG1 3.43Å; M38-V49 HydrophobicContact CE-CG2 3.79Å; M38-V49 HydrophobicContact SD-CG1 4.36Å; M38-V49 HydrophobicContact SD-CG2 4.02Å; V49-F51 HydrophobicContact CG1-CE1 4.36Å; V49-F51 HydrophobicContact CG1-CE2 4.2Å; V49-F51 HydrophobicContact CG1-CZ 3.93Å; V49-A146 PolarHBondContact N-O 3.24Å
50	F	98.6	Very high	97.2	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.9	-177.1	-60.4	-88.1	0	0	0	110.3	T36 I37 Y45 L52 F69 T71 I73 T142 A146	T36-F50 CarbonylContact C-O 3.58Å; T36-F50 WeakPolarHBondContact CA-O 3.28Å; I37-F50 PolarHBondContact N-O 3.3Å; I37-F50 PolarHBondContact O-N 3.36Å; Y45-F50 HydrophobicContact CD1-CE2 4.49Å; Y45-F50 AromaticContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CD1-CZ 3.85Å; Y45-F50 HydrophobicContact CG-CZ 4.3Å; F50-L52 WeakPolarHBondContact O-CD1 3.21Å; F50-F69 HydrophobicContact CB-CD1 4.13Å; F50-F69 HydrophobicContact CB-CE1 3.76Å; F50-F69 HydrophobicContact CD1-CD1 4.42Å; F50-F69 HydrophobicContact CD1-CE1 4.23Å; F50-F69 HydrophobicContact CG-CE1 4.17Å; F50-T71 HydrophobicContact CD1-CG2 3.78Å; F50-T71 HydrophobicContact CE1-CG2 4.34Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 3.95Å; F50-I73 HydrophobicContact CD1-CG1 4.33Å; F50-I73 HydrophobicContact CE1-CB 4.07Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.81Å; F50-I73 HydrophobicContact CZ-CD1 4.19Å; F50-I73 HydrophobicContact CZ-CG1 4.49Å; F50-T142 HydrophobicContact CZ-CG2 4.08Å; F50-A146 HydrophobicContact CD1-CB 4Å; F50-A146 HydrophobicContact CE1-CB 3.6Å; F50-A146 HydrophobicContact CE2-CB 4.23Å; F50-A146 HydrophobicContact CG-CB 4.48Å; F50-A146 HydrophobicContact CZ-CB 3.73Å
51	F	98.4	Very high	97.2	Very high	77 Å²	77	43.2 Å²	43.2	34%	0.338	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.3	173.8	-61.4	-75.1	0	0	0	110.2	Q34 A35 T36 V49 T70 T71	Q34-F51 HydrophobicContact CG-CD1 4.42Å; A35-F51 CarbonylContact O-C 3.56Å; A35-F51 WeakPolarHBondContact O-CA 3.37Å; T36-F51 HydrophobicContact CG2-CE1 4.36Å; V49-F51 HydrophobicContact CG1-CE1 4.36Å; V49-F51 HydrophobicContact CG1-CE2 4.2Å; V49-F51 HydrophobicContact CG1-CZ 3.93Å; F51-T70 WeakPolarHBondContact CB-OG1 3.39Å; F51-T70 PolarHBondContact O-N 3.31Å; F51-T70 PolarHBondContact O-OG1 2.96Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F51-T71 PolarHBondContact N-OG1 3.37Å; F51-T71 PolarHBondContact O-N 3.38Å
52	L	98.6	Very high	97.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.1	175.1	-61	88.8	0	0	0	109.4	Q34 A35 I37 F50 V67 A68 F69 I84 I106	Q34-L52 WeakPolarHBondContact CA-O 3.45Å; A35-L52 HydrophobicContact CB-CB 4.33Å; A35-L52 PolarHBondContact N-O 3.21Å; A35-L52 PolarHBondContact O-N 2.9Å; I37-L52 HydrophobicContact CB-CD1 4.16Å; I37-L52 HydrophobicContact CD1-CD1 3.72Å; I37-L52 HydrophobicContact CD1-CD2 4.22Å; I37-L52 HydrophobicContact CG1-CD1 3.82Å; F50-L52 WeakPolarHBondContact O-CD1 3.21Å; L52-V67 HydrophobicContact CD2-CG1 3.87Å; L52-A68 CarbonylContact C-O 3.56Å; L52-A68 WeakPolarHBondContact CA-O 3.49Å; L52-A68 WeakPolarHBondContact CB-O 3.29Å; L52-F69 HydrophobicContact CD1-CD1 4.37Å; L52-F69 HydrophobicContact CD1-CE1 4.14Å; L52-F69 HydrophobicContact CD1-CZ 4.38Å; L52-F69 HydrophobicContact CD2-CD1 4.47Å; L52-F69 HydrophobicContact CD2-CD2 3.82Å; L52-F69 HydrophobicContact CD2-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CE2 3.64Å; L52-F69 HydrophobicContact CD2-CG 4.23Å; L52-F69 HydrophobicContact CD2-CZ 3.92Å; L52-F69 HydrophobicContact CG-CD1 4.1Å; L52-F69 HydrophobicContact CG-CD2 4.2Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.3Å; L52-F69 HydrophobicContact CG-CG 4.1Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; L52-I84 HydrophobicContact CD2-CD1 4.13Å; L52-I106 HydrophobicContact CD2-CD1 3.98Å; L52-I106 HydrophobicContact CD2-CG2 4.41Å
53	T	98.4	Very high	97.5	Very high	27 Å²	27	43.2 Å²	43.2	17%	0.166	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140	168.6	-172.1	0	0	0	0	110.3	H32 H55 V67 A68 T70	H32-T53 PolarHBondContact CD2-OG1 2.76Å; H32-T53 PolarHBondContact NE2-OG1 2.82Å; T53-H55 PolarHBondContact OG1-CE1 2.95Å; T53-H55 PolarHBondContact OG1-ND1 2.88Å; T53-V67 WeakPolarHBondContact O-CA 3.32Å; T53-A68 HydrophobicContact CG2-CB 4.23Å; T53-A68 PolarHBondContact N-O 2.89Å; T53-A68 PolarHBondContact O-N 2.87Å; T53-T70 HydrophobicContact CG2-CG2 4.05Å
54	I	98.5	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.2	179.8	-55.1	178.4	0	0	0	107.5	W33 A35 F56 P65 K66 V67 V99 L103	W33-I54 HydrophobicContact CB-CB 4.13Å; W33-I54 PolarHBondContact N-O 2.84Å; W33-I54 PolarHBondContact O-N 3.03Å; A35-I54 HydrophobicContact CB-CD1 3.79Å; A35-I54 HydrophobicContact CB-CG1 4.39Å; I54-F56 HydrophobicContact CG2-CE1 4.2Å; I54-F56 HydrophobicContact CG2-CE2 3.93Å; I54-F56 HydrophobicContact CG2-CZ 3.77Å; I54-P65 HydrophobicContact CG2-CB 3.77Å; I54-P65 HydrophobicContact CG2-CG 4.37Å; I54-K66 CarbonylContact C-O 3.3Å; I54-K66 WeakPolarHBondContact CA-O 3.36Å; I54-V67 HydrophobicContact CG1-CG1 4.23Å; I54-V67 HydrophobicContact CG1-CG2 4.17Å; I54-V67 HydrophobicContact CG2-CG2 4.26Å; I54-V99 HydrophobicContact CD1-CG1 3.76Å; I54-L103 HydrophobicContact CD1-CD2 4.48Å
55	H	98.3	Very high	97.6	Very high	83 Å²	83	44 Å²	44	38%	0.384	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.9	174.6	-66.5	78.8	0	0	0	110	F31 H32 T53 P65 K66	F31-H55 WeakPolarHBondContact O-CA 3.49Å; H32-H55 AromaticContact CD2-CD2 3.66Å; H32-H55 AromaticContact CD2-CE1 3.39Å; H32-H55 PolarHBondContact CD2-CE1 2.95Å; H32-H55 AromaticContact CD2-ND1 3.88Å; H32-H55 AromaticContact CD2-NE2 3.25Å; H32-H55 PolarHBondContact CD2-NE2 3.42Å; H32-H55 VanDerWaalsContact CD2-NE2 3.25Å; H32-H55 AromaticContact CG-NE2 3.83Å; H32-H55 AromaticContact NE2-CE1 3.38Å; H32-H55 PolarHBondContact NE2-CE1 2.88Å; H32-H55 AromaticContact NE2-NE2 3.43Å; H32-H55 PolarHBondContact NE2-NE2 3.19Å; T53-H55 PolarHBondContact OG1-CE1 2.95Å; T53-H55 PolarHBondContact OG1-ND1 2.88Å; H55-P65 CarbonylContact O-C 3.54Å; H55-P65 VanDerWaalsContact O-CA 3.32Å; H55-P65 WeakPolarHBondContact O-CA 3.18Å; H55-K66 HydrophobicContact CB-CB 4.35Å; H55-K66 PolarHBondContact N-O 3.44Å; H55-K66 PolarHBondContact O-N 3.32Å
56	F	98.2	Very high	97.6	Very high	13 Å²	13	52 Å²	52	6%	0.057	27%	0.27	C	S	.	.			trans	-84.6	132.1	178.3	-59.4	-87.5	0	0	0	110.1	I6 F31 W33 I54 Y60 P65 V99	I6-F56 HydrophobicContact CD1-CB 3.69Å; I6-F56 HydrophobicContact CD1-CD1 4.19Å; I6-F56 HydrophobicContact CD1-CD2 4.14Å; I6-F56 HydrophobicContact CD1-CG 3.74Å; I6-F56 HydrophobicContact CG1-CB 4.47Å; I6-F56 HydrophobicContact CG1-CD1 4.03Å; I6-F56 HydrophobicContact CG1-CD2 4.45Å; I6-F56 HydrophobicContact CG1-CE1 4.4Å; I6-F56 HydrophobicContact CG1-CG 4.06Å; F31-F56 HydrophobicContact CB-CB 4.47Å; F31-F56 HydrophobicContact CD1-CB 3.84Å; F31-F56 WeakPolarHBondContact O-CD2 3.24Å; F31-F56 PolarHBondContact O-N 3.23Å; W33-F56 HydrophobicContact CB-CE2 4.17Å; W33-F56 AromaticContact CD1-CE2 3.64Å; W33-F56 AromaticContact CD2-CE2 3.54Å; W33-F56 HydrophobicContact CD2-CE2 3.54Å; W33-F56 AromaticContact CD2-CZ 3.74Å; W33-F56 HydrophobicContact CD2-CZ 3.74Å; W33-F56 AromaticContact CE2-CE2 3.66Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.09Å; W33-F56 AromaticContact CE3-CZ 3.8Å; W33-F56 HydrophobicContact CE3-CZ 3.8Å; W33-F56 AromaticContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CE2 3.57Å; W33-F56 HydrophobicContact CG-CZ 4.2Å; W33-F56 HydrophobicContact CH2-CZ 4.26Å; W33-F56 HydrophobicContact CZ2-CE2 4.31Å; W33-F56 HydrophobicContact CZ2-CZ 4.21Å; W33-F56 HydrophobicContact CZ3-CZ 4.04Å; W33-F56 AromaticContact NE1-CE2 3.67Å; I54-F56 HydrophobicContact CG2-CE1 4.2Å; I54-F56 HydrophobicContact CG2-CE2 3.93Å; I54-F56 HydrophobicContact CG2-CZ 3.77Å; F56-Y60 HydrophobicContact CB-CG 4.49Å; F56-Y60 AromaticContact CD1-CD1 3.94Å; F56-Y60 HydrophobicContact CD1-CD1 3.94Å; F56-Y60 AromaticContact CD1-CD2 3.83Å; F56-Y60 HydrophobicContact CD1-CD2 3.83Å; F56-Y60 AromaticContact CD1-CE1 3.96Å; F56-Y60 HydrophobicContact CD1-CE1 3.96Å; F56-Y60 AromaticContact CD1-CE2 3.87Å; F56-Y60 HydrophobicContact CD1-CE2 3.87Å; F56-Y60 AromaticContact CD1-CG 3.88Å; F56-Y60 HydrophobicContact CD1-CG 3.88Å; F56-Y60 AromaticContact CD1-CZ 3.94Å; F56-Y60 HydrophobicContact CE1-CE1 4.12Å; F56-Y60 HydrophobicContact CE1-CE2 4.19Å; F56-Y60 AromaticContact CE1-CZ 3.95Å; F56-P65 HydrophobicContact CD1-CB 4.02Å; F56-P65 HydrophobicContact CE1-CB 4.26Å; F56-V99 HydrophobicContact CE1-CG2 3.62Å; F56-V99 HydrophobicContact CZ-CG2 3.62Å
57	P	97.2	Very high	97.7	Very high	32 Å²	32	48 Å²	48	21%	0.208	25%	0.253	C	S	.	.			trans	-73.1	159.6	170.3	33.8	-37.5	0	0	0	110.6	D59 Y60 K63 P64	P57-D59 WeakPolarHBondContact CB-OD1 3.15Å; P57-D59 PolarHBondContact O-N 3.36Å; P57-Y60 VanDerWaalsContact O-CB 3.27Å; P57-Y60 WeakPolarHBondContact O-CB 3.21Å; P57-Y60 PolarHBondContact O-N 3.05Å; P57-K63 HydrophobicContact CB-CB 4.42Å; P57-K63 HydrophobicContact CG-CB 3.76Å; P57-P64 WeakPolarHBondContact CD-O 3.46Å; P57-P64 WeakPolarHBondContact CG-O 3.26Å
58	T	95.8	Very high	97.8	Very high	129 Å²	129	47 Å²	47	79%	0.791	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.4	-179.4	52.5	0	0	0	0	113.6
59	D	96.1	Very high	97.8	Very high	52 Å²	52	47.4 Å²	47.4	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	15.2	176.4	59.1	-4.7	0	0	0	113.4	P57 F62 K63	P57-D59 WeakPolarHBondContact CB-OD1 3.15Å; P57-D59 PolarHBondContact O-N 3.36Å; D59-F62 VanDerWaalsContact O-CB 3.31Å; D59-F62 WeakPolarHBondContact O-CB 3.11Å; D59-F62 WeakPolarHBondContact O-CD2 3.33Å; D59-F62 PolarHBondContact O-N 3.44Å; D59-K63 WeakPolarHBondContact OD1-CB 3.39Å; D59-K63 WeakPolarHBondContact OD2-CD 3.47Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 WeakPolarHBondContact OD2-CG 3.48Å; D59-K63 IonicContact OD2-NZ 2.71Å; D59-K63 PolarHBondContact OD2-NZ 3.13Å
60	Y	97.8	Very high	97.8	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.008	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.4	170.5	-172.1	-101.5	0	0	0	111	A2 R5 I6 E9 F56 P57 K63 P65 W93	A2-Y60 VanDerWaalsContact CA-O 3.22Å; A2-Y60 WeakPolarHBondContact CA-O 3.4Å; A2-Y60 VanDerWaalsContact CB-O 3.23Å; A2-Y60 WeakPolarHBondContact CB-O 3.2Å; R5-Y60 HydrophobicContact CG-CD1 3.99Å; R5-Y60 HydrophobicContact CG-CE1 3.69Å; I6-Y60 HydrophobicContact CD1-CD1 4.39Å; I6-Y60 HydrophobicContact CG1-CD1 3.79Å; I6-Y60 HydrophobicContact CG1-CE1 4.15Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.42Å; E9-Y60 PolarHBondContact OE1-OH 3.5Å; E9-Y60 PolarHBondContact OE2-OH 2.95Å; F56-Y60 HydrophobicContact CB-CG 4.49Å; F56-Y60 AromaticContact CD1-CD1 3.94Å; F56-Y60 HydrophobicContact CD1-CD1 3.94Å; F56-Y60 AromaticContact CD1-CD2 3.83Å; F56-Y60 HydrophobicContact CD1-CD2 3.83Å; F56-Y60 AromaticContact CD1-CE1 3.96Å; F56-Y60 HydrophobicContact CD1-CE1 3.96Å; F56-Y60 AromaticContact CD1-CE2 3.87Å; F56-Y60 HydrophobicContact CD1-CE2 3.87Å; F56-Y60 AromaticContact CD1-CG 3.88Å; F56-Y60 HydrophobicContact CD1-CG 3.88Å; F56-Y60 AromaticContact CD1-CZ 3.94Å; F56-Y60 HydrophobicContact CE1-CE1 4.12Å; F56-Y60 HydrophobicContact CE1-CE2 4.19Å; F56-Y60 AromaticContact CE1-CZ 3.95Å; P57-Y60 VanDerWaalsContact O-CB 3.27Å; P57-Y60 WeakPolarHBondContact O-CB 3.21Å; P57-Y60 PolarHBondContact O-N 3.05Å; Y60-K63 WeakPolarHBondContact CD2-O 3.33Å; Y60-P65 HydrophobicContact CE2-CG 4.33Å; Y60-W93 HydrophobicContact CD2-CZ2 4.23Å; Y60-W93 AromaticContact CE2-CH2 3.69Å; Y60-W93 HydrophobicContact CE2-CH2 3.69Å; Y60-W93 AromaticContact CE2-CZ2 3.51Å; Y60-W93 HydrophobicContact CE2-CZ2 3.51Å
61	P	96.6	Very high	97.8	Very high	15 Å²	15	50 Å²	50	10%	0.097	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.2	14.5	7.7	39.1	-36.9	0	0	0	114.9	R5 K63 W93 P95	R5-P61 HydrophobicContact CG-CB 4.37Å; R5-P61 HydrophobicContact CG-CG 4.15Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 3.3Å; P61-W93 HydrophobicContact CB-CZ2 4.48Å; P61-W93 PolarHBondContact O-NE1 3.18Å; P61-P95 HydrophobicContact CB-CB 4.3Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.38Å
62	F	96.7	Very high	97.8	Very high	147 Å²	147	51.9 Å²	51.9	65%	0.645	27%	0.266	S	S	*	.	S	Bend	trans	-69.6	-28.6	179.5	-61.4	-72.4	0	0	0	112.7	D59 P95	D59-F62 VanDerWaalsContact O-CB 3.31Å; D59-F62 WeakPolarHBondContact O-CB 3.11Å; D59-F62 WeakPolarHBondContact O-CD2 3.33Å; D59-F62 PolarHBondContact O-N 3.44Å; F62-P95 HydrophobicContact CD1-CG 4.25Å
63	K	97.1	Very high	97.7	Very high	116 Å²	116	52.5 Å²	52.5	50%	0.504	27%	0.269	S	S	.	.	S	Bend	trans	-111.3	149.1	166.8	-71.1	-169.7	-176.8	126.9	0	111.4	P57 D59 Y60 P61	P57-K63 HydrophobicContact CB-CB 4.42Å; P57-K63 HydrophobicContact CG-CB 3.76Å; D59-K63 WeakPolarHBondContact OD1-CB 3.39Å; D59-K63 WeakPolarHBondContact OD2-CD 3.47Å; D59-K63 WeakPolarHBondContact OD2-CE 3.34Å; D59-K63 WeakPolarHBondContact OD2-CG 3.48Å; D59-K63 IonicContact OD2-NZ 2.71Å; D59-K63 PolarHBondContact OD2-NZ 3.13Å; Y60-K63 WeakPolarHBondContact CD2-O 3.33Å; P61-K63 VanDerWaalsContact C-N 3.29Å; P61-K63 PolarHBondContact O-N 3.3Å
64	P	97.4	Very high	97.7	Very high	37 Å²	37	52.6 Å²	52.6	24%	0.24	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-64.9	153.7	176.7	25.4	-32.6	0	0	0	111.8	P57 W93	P57-P64 WeakPolarHBondContact CD-O 3.46Å; P57-P64 WeakPolarHBondContact CG-O 3.26Å; P64-W93 VanDerWaalsContact CA-CE2 3.47Å; P64-W93 HydrophobicContact CB-CB 4.01Å; P64-W93 HydrophobicContact CB-CD2 3.49Å; P64-W93 VanDerWaalsContact CB-CD2 3.49Å; P64-W93 HydrophobicContact CB-CE3 3.75Å; P64-W93 HydrophobicContact CB-CG 3.59Å; P64-W93 HydrophobicContact CB-CZ3 4.46Å; P64-W93 HydrophobicContact CG-CB 4.17Å; P64-W93 HydrophobicContact CG-CD2 4.45Å; P64-W93 HydrophobicContact CG-CG 4.05Å
65	P	97.8	Very high	97.7	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.026	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-70.5	148.9	166.4	32.6	-30.2	0	0	0	109.6	I54 H55 F56 Y60 V67 W93	I54-P65 HydrophobicContact CG2-CB 3.77Å; I54-P65 HydrophobicContact CG2-CG 4.37Å; H55-P65 CarbonylContact O-C 3.54Å; H55-P65 VanDerWaalsContact O-CA 3.32Å; H55-P65 WeakPolarHBondContact O-CA 3.18Å; F56-P65 HydrophobicContact CD1-CB 4.02Å; F56-P65 HydrophobicContact CE1-CB 4.26Å; Y60-P65 HydrophobicContact CE2-CG 4.33Å; P65-V67 HydrophobicContact CB-CG2 4.46Å; P65-V67 HydrophobicContact CG-CG2 4.17Å; P65-V67 PolarHBondContact O-N 2.86Å; P65-W93 VanDerWaalsContact CD-CH2 3.48Å; P65-W93 HydrophobicContact CG-CH2 4.32Å; P65-W93 HydrophobicContact CG-CZ3 4.4Å
66	K	98.1	Very high	97.7	Very high	166 Å²	166	48.6 Å²	48.6	72%	0.722	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.2	169.5	-65.7	-178.6	179.9	178.5	0	108.3	I54 H55	I54-K66 CarbonylContact C-O 3.3Å; I54-K66 WeakPolarHBondContact CA-O 3.36Å; H55-K66 HydrophobicContact CB-CB 4.35Å; H55-K66 PolarHBondContact N-O 3.44Å; H55-K66 PolarHBondContact O-N 3.32Å
67	V	98.5	Very high	97.7	Very high	15 Å²	15	48.1 Å²	48.1	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.9	178.9	-172.7	0	0	0	0	109.6	L52 T53 I54 P65 I84 L89 V102 I106	L52-V67 HydrophobicContact CD2-CG1 3.87Å; T53-V67 WeakPolarHBondContact O-CA 3.32Å; I54-V67 HydrophobicContact CG1-CG1 4.23Å; I54-V67 HydrophobicContact CG1-CG2 4.17Å; I54-V67 HydrophobicContact CG2-CG2 4.26Å; P65-V67 HydrophobicContact CB-CG2 4.46Å; P65-V67 HydrophobicContact CG-CG2 4.17Å; P65-V67 PolarHBondContact O-N 2.86Å; V67-I84 HydrophobicContact CB-CD1 4.49Å; V67-I84 HydrophobicContact CG1-CD1 4Å; V67-L89 HydrophobicContact CB-CD1 4.1Å; V67-L89 HydrophobicContact CB-CD2 4.35Å; V67-L89 HydrophobicContact CG2-CD2 3.88Å; V67-V102 HydrophobicContact CG2-CG1 4.15Å; V67-I106 HydrophobicContact CG1-CD1 3.91Å
68	A	98.4	Very high	97.8	Very high	25 Å²	25	46.7 Å²	46.7	21%	0.207	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.2	175.6	0	0	0	0	0	111.3	L52 T53 G82	L52-A68 CarbonylContact C-O 3.56Å; L52-A68 WeakPolarHBondContact CA-O 3.49Å; L52-A68 WeakPolarHBondContact CB-O 3.29Å; T53-A68 HydrophobicContact CG2-CB 4.23Å; T53-A68 PolarHBondContact N-O 2.89Å; T53-A68 PolarHBondContact O-N 2.87Å; A68-G82 CarbonylContact C-O 3.53Å; A68-G82 WeakPolarHBondContact CA-O 3.38Å; A68-G82 WeakPolarHBondContact CB-O 3.5Å
69	F	98.6	Very high	97.8	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.3	169.6	-81.4	-103.2	0	0	0	110.5	F50 L52 I73 I78 G82 I84 I106 L110	F50-F69 HydrophobicContact CB-CD1 4.13Å; F50-F69 HydrophobicContact CB-CE1 3.76Å; F50-F69 HydrophobicContact CD1-CD1 4.42Å; F50-F69 HydrophobicContact CD1-CE1 4.23Å; F50-F69 HydrophobicContact CG-CE1 4.17Å; L52-F69 HydrophobicContact CD1-CD1 4.37Å; L52-F69 HydrophobicContact CD1-CE1 4.14Å; L52-F69 HydrophobicContact CD1-CZ 4.38Å; L52-F69 HydrophobicContact CD2-CD1 4.47Å; L52-F69 HydrophobicContact CD2-CD2 3.82Å; L52-F69 HydrophobicContact CD2-CE1 4.34Å; L52-F69 HydrophobicContact CD2-CE2 3.64Å; L52-F69 HydrophobicContact CD2-CG 4.23Å; L52-F69 HydrophobicContact CD2-CZ 3.92Å; L52-F69 HydrophobicContact CG-CD1 4.1Å; L52-F69 HydrophobicContact CG-CD2 4.2Å; L52-F69 HydrophobicContact CG-CE1 4.22Å; L52-F69 HydrophobicContact CG-CE2 4.3Å; L52-F69 HydrophobicContact CG-CG 4.1Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; F69-I73 HydrophobicContact CD1-CG2 4.14Å; F69-I73 HydrophobicContact CE1-CD1 4.12Å; F69-I73 HydrophobicContact CE1-CG2 4.48Å; F69-I73 HydrophobicContact CG-CG2 4.3Å; F69-I78 HydrophobicContact CB-CG2 4.4Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.44Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CG-CG2 4.27Å; F69-I78 HydrophobicContact CZ-CD1 3.7Å; F69-G82 PolarHBondContact N-O 2.85Å; F69-G82 WeakPolarHBondContact O-CA 3.14Å; F69-I84 HydrophobicContact CD2-CD1 3.72Å; F69-I84 HydrophobicContact CD2-CG1 3.83Å; F69-I84 HydrophobicContact CE2-CD1 3.62Å; F69-I84 HydrophobicContact CE2-CG1 3.99Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; F69-L110 HydrophobicContact CZ-CD2 4.29Å
70	T	98.2	Very high	97.8	Very high	83 Å²	83	45.3 Å²	45.3	51%	0.509	23%	0.233	S	C	.	.	S	Bend	trans	-94.3	-29.4	167	52.9	0	0	0	0	110.7	F51 T53	F51-T70 WeakPolarHBondContact CB-OG1 3.39Å; F51-T70 PolarHBondContact O-N 3.31Å; F51-T70 PolarHBondContact O-OG1 2.96Å; T53-T70 HydrophobicContact CG2-CG2 4.05Å
71	T	98.3	Very high	97.7	Very high	16 Å²	16	51.3 Å²	51.3	10%	0.098	27%	0.265	C	S	.	.	S	Bend	trans	-78.1	131.7	169.6	-60.3	0	0	0	0	110.4	F50 F51 Y145 A146	F50-T71 HydrophobicContact CD1-CG2 3.78Å; F50-T71 HydrophobicContact CE1-CG2 4.34Å; F51-T71 WeakPolarHBondContact CD2-OG1 3.38Å; F51-T71 PolarHBondContact N-OG1 3.37Å; F51-T71 PolarHBondContact O-N 3.38Å; T71-Y145 VanDerWaalsContact CG2-O 3.3Å; T71-Y145 WeakPolarHBondContact CG2-O 3.48Å; T71-A146 HydrophobicContact CG2-CB 3.86Å
72	K	98.1	Very high	97.7	Very high	118 Å²	118	50.8 Å²	50.8	51%	0.513	26%	0.263	S	S	.	.			trans	-65.3	136.9	175.2	-69.2	-178.9	179.6	178.3	0	110.6	W141 Y145	K72-W141 HydrophobicContact CB-CE3 4.29Å; K72-W141 HydrophobicContact CB-CZ3 4.09Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 3.88Å; K72-Y145 HydrophobicContact CB-CE2 4.36Å; K72-Y145 HydrophobicContact CB-CG 3.83Å; K72-Y145 HydrophobicContact CD-CD1 4.1Å; K72-Y145 HydrophobicContact CD-CE1 3.92Å; K72-Y145 HydrophobicContact CD-CE2 4.43Å; K72-Y145 HydrophobicContact CD-CG 4.45Å
73	I	98.5	Very high	97.8	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.062	25%	0.248	C	C	.	.			trans	-142.1	143.8	-178.8	-170	171.1	0	0	0	110.5	Y45 F50 F69 H75 I78 L110	Y45-I73 HydrophobicContact CD1-CD1 3.86Å; Y45-I73 HydrophobicContact CD1-CG1 4.02Å; Y45-I73 HydrophobicContact CE1-CD1 3.67Å; Y45-I73 HydrophobicContact CE1-CG1 3.56Å; F50-I73 HydrophobicContact CD1-CB 4.29Å; F50-I73 HydrophobicContact CD1-CD1 3.95Å; F50-I73 HydrophobicContact CD1-CG1 4.33Å; F50-I73 HydrophobicContact CE1-CB 4.07Å; F50-I73 HydrophobicContact CE1-CD1 3.7Å; F50-I73 HydrophobicContact CE1-CG1 3.81Å; F50-I73 HydrophobicContact CZ-CD1 4.19Å; F50-I73 HydrophobicContact CZ-CG1 4.49Å; F69-I73 HydrophobicContact CD1-CG2 4.14Å; F69-I73 HydrophobicContact CE1-CD1 4.12Å; F69-I73 HydrophobicContact CE1-CG2 4.48Å; F69-I73 HydrophobicContact CG-CG2 4.3Å; I73-H75 HydrophobicContact CD1-CB 4.5Å; I73-H75 HydrophobicContact CG1-CB 4.31Å; I73-I78 HydrophobicContact CD1-CD1 4.24Å; I73-I78 HydrophobicContact CG2-CB 3.97Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.64Å; I73-L110 HydrophobicContact CD1-CD2 3.5Å; I73-L110 VanDerWaalsContact CD1-CD2 3.5Å
74	Y	98.3	Very high	97.8	Very high	29 Å²	29	41 Å²	41	11%	0.114	23%	0.227	C	C	.	.			trans	-96.8	100	173.5	-172.2	-94.7	0	0	0	109	Y45 I123 Y134 L137 A138 W141	Y45-Y74 PolarHBondContact OH-O 3.42Å; Y74-I123 HydrophobicContact CD1-CD1 4.45Å; Y74-I123 HydrophobicContact CD1-CG2 4.11Å; Y74-I123 HydrophobicContact CD2-CD1 3.64Å; Y74-I123 HydrophobicContact CD2-CG1 4.16Å; Y74-I123 HydrophobicContact CE1-CB 4.49Å; Y74-I123 HydrophobicContact CE1-CD1 4.43Å; Y74-I123 HydrophobicContact CE1-CG1 4.23Å; Y74-I123 HydrophobicContact CE1-CG2 3.69Å; Y74-I123 HydrophobicContact CE2-CD1 3.6Å; Y74-I123 HydrophobicContact CE2-CG1 3.59Å; Y74-I123 HydrophobicContact CG-CD1 4.08Å; Y74-Y134 HydrophobicContact CD1-CD2 4.23Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CE2 4.08Å; Y74-L137 HydrophobicContact CD1-CB 4.13Å; Y74-L137 HydrophobicContact CE1-CB 3.83Å; Y74-L137 HydrophobicContact CE1-CD1 4.28Å; Y74-A138 HydrophobicContact CD1-CB 4.13Å; Y74-W141 HydrophobicContact CD2-CD2 4.35Å; Y74-W141 HydrophobicContact CD2-CZ2 4.32Å; Y74-W141 HydrophobicContact CG-CG 4.45Å
75	H	98.4	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-153.6	138.9	-174.7	-173.1	-81.8	0	0	0	110.3	Y45 I73 N77 I78 L109 P113	Y45-H75 AromaticContact CZ-CD2 3.89Å; Y45-H75 PolarHBondContact OH-CD2 2.87Å; Y45-H75 VanDerWaalsContact OH-CD2 3.22Å; I73-H75 HydrophobicContact CD1-CB 4.5Å; I73-H75 HydrophobicContact CG1-CB 4.31Å; H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.02Å; H75-N77 VanDerWaalsContact CE1-OD1 3.25Å; H75-N77 PolarHBondContact ND1-N 3.5Å; H75-N77 PolarHBondContact O-N 3.34Å; H75-I78 HydrophobicContact CB-CB 4.17Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.24Å; H75-I78 PolarHBondContact O-N 3.11Å; H75-L109 PolarHBondContact NE2-O 2.69Å; H75-P113 WeakPolarHBondContact NE2-CG 3.3Å
76	P	97.9	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-29.7	-173.9	26.6	-35.2	0	0	0	113.9	P113 P118 L119 V120 I123 A124	P76-P113 HydrophobicContact CG-CB 3.46Å; P76-P113 VanDerWaalsContact CG-CB 3.46Å; P76-P113 HydrophobicContact CG-CG 4.42Å; P76-P118 HydrophobicContact CB-CB 4.28Å; P76-P118 CarbonylContact O-C 3.58Å; P76-P118 WeakPolarHBondContact O-CA 3.24Å; P76-L119 PolarHBondContact O-N 2.93Å; P76-V120 PolarHBondContact O-N 2.91Å; P76-I123 HydrophobicContact CB-CB 4.33Å; P76-I123 HydrophobicContact CB-CG2 4.02Å; P76-I123 HydrophobicContact CG-CG2 4.46Å; P76-A124 HydrophobicContact CB-CB 3.84Å
77	N	98.3	Very high	97.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.011	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.2	178.7	-50.5	97	0	0	0	114.3	H75 C85 L109 N114 D117 L119	H75-N77 VanDerWaalsContact C-N 3.32Å; H75-N77 PolarHBondContact CE1-OD1 3.02Å; H75-N77 VanDerWaalsContact CE1-OD1 3.25Å; H75-N77 PolarHBondContact ND1-N 3.5Å; H75-N77 PolarHBondContact O-N 3.34Å; N77-C85 HydrophobicContact CB-CB 4.39Å; N77-C85 PolarHBondContact O-N 3.39Å; N77-L109 HydrophobicContact CB-CD1 4.18Å; N77-L109 HydrophobicContact CB-CD2 4Å; N77-L109 HydrophobicContact CB-CG 4.39Å; N77-N114 PolarHBondContact ND2-O 2.87Å; N77-N114 PolarHBondContact OD1-N 3.13Å; N77-N114 PolarHBondContact OD1-O 2.94Å; N77-D117 PolarHBondContact ND2-O 3.17Å; N77-L119 WeakPolarHBondContact O-CD1 3.33Å
78	I	98.4	Very high	97.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-129.3	121.3	178.7	-53.5	163.6	0	0	0	108.8	F69 I73 H75 S83 I84 L110 V120	F69-I78 HydrophobicContact CB-CG2 4.4Å; F69-I78 HydrophobicContact CD2-CD1 3.86Å; F69-I78 HydrophobicContact CD2-CG1 4.35Å; F69-I78 HydrophobicContact CD2-CG2 3.88Å; F69-I78 HydrophobicContact CE1-CD1 4.44Å; F69-I78 HydrophobicContact CE2-CD1 3.36Å; F69-I78 HydrophobicContact CE2-CG1 4.16Å; F69-I78 HydrophobicContact CG-CG2 4.27Å; F69-I78 HydrophobicContact CZ-CD1 3.7Å; I73-I78 HydrophobicContact CD1-CD1 4.24Å; I73-I78 HydrophobicContact CG2-CB 3.97Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.64Å; H75-I78 HydrophobicContact CB-CB 4.17Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.24Å; H75-I78 PolarHBondContact O-N 3.11Å; I78-S83 VanDerWaalsContact CA-O 3.29Å; I78-S83 WeakPolarHBondContact CA-O 3.16Å; I78-I84 HydrophobicContact CG1-CG1 4.43Å; I78-I84 HydrophobicContact CG1-CG2 4.41Å; I78-L110 HydrophobicContact CD1-CD2 3.9Å; I78-V120 WeakPolarHBondContact O-CG2 3.44Å
79	N	96.6	Very high	97.1	Very high	43 Å²	43	36.6 Å²	36.6	23%	0.23	21%	0.205	C	C	.	.			trans	-87.6	176	-178.9	72.6	13.1	0	0	0	112.7	N81 G82 S83 L119 V120	N79-N81 PolarHBondContact O-N 2.82Å; N79-N81 VanDerWaalsContact O-N 3.13Å; N79-N81 PolarHBondContact OD1-N 2.87Å; N79-N81 VanDerWaalsContact OD1-N 3.07Å; N79-G82 WeakPolarHBondContact O-CA 3.48Å; N79-G82 PolarHBondContact O-N 2.97Å; N79-G82 PolarHBondContact OD1-N 2.93Å; N79-S83 PolarHBondContact N-O 2.86Å; N79-S83 VanDerWaalsContact N-O 3.11Å; N79-S83 WeakPolarHBondContact OD1-CB 3.4Å; N79-S83 PolarHBondContact OD1-N 3.17Å; N79-L119 HydrophobicContact CB-CB 4.2Å; N79-L119 HydrophobicContact CB-CD1 4.37Å; N79-V120 HydrophobicContact CB-CG2 4.12Å
80	S	95.2	Very high	96.9	Very high	110 Å²	110	42.9 Å²	42.9	77%	0.769	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.5	-179.6	58.8	0	0	0	0	114.8	G82	S80-G82 VanDerWaalsContact C-N 3.27Å
81	N	96.3	Very high	96.7	Very high	127 Å²	127	43.7 Å²	43.7	68%	0.679	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	4.6	176.1	-61.1	-14.8	0	0	0	111.8	N79 S83	N79-N81 PolarHBondContact O-N 2.82Å; N79-N81 VanDerWaalsContact O-N 3.13Å; N79-N81 PolarHBondContact OD1-N 2.87Å; N79-N81 VanDerWaalsContact OD1-N 3.07Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.82Å
82	G	97.2	Very high	96.6	Very high	5 Å²	5	48.7 Å²	48.7	5%	0.052	26%	0.26	C	S	.	.			trans	76.3	6.4	-179.2	0	0	0	0	0	114.9	A68 F69 N79 S80	A68-G82 CarbonylContact C-O 3.53Å; A68-G82 WeakPolarHBondContact CA-O 3.38Å; A68-G82 WeakPolarHBondContact CB-O 3.5Å; F69-G82 PolarHBondContact N-O 2.85Å; F69-G82 WeakPolarHBondContact O-CA 3.14Å; N79-G82 WeakPolarHBondContact O-CA 3.48Å; N79-G82 PolarHBondContact O-N 2.97Å; N79-G82 PolarHBondContact OD1-N 2.93Å; S80-G82 VanDerWaalsContact C-N 3.27Å
83	S	97.5	Very high	96.6	Very high	48 Å²	48	44.4 Å²	44.4	34%	0.336	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-66.6	141.7	176.2	-55.1	0	0	0	0	110	I78 N79 N81 L119	I78-S83 VanDerWaalsContact CA-O 3.29Å; I78-S83 WeakPolarHBondContact CA-O 3.16Å; N79-S83 PolarHBondContact N-O 2.86Å; N79-S83 VanDerWaalsContact N-O 3.11Å; N79-S83 WeakPolarHBondContact OD1-CB 3.4Å; N79-S83 PolarHBondContact OD1-N 3.17Å; N81-S83 VanDerWaalsContact C-N 3.26Å; N81-S83 PolarHBondContact O-N 2.82Å; S83-L119 WeakPolarHBondContact O-CD1 3.24Å
84	I	97.6	Very high	96.6	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.046	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-112	131.8	-175.6	-49.1	172.4	0	0	0	108.7	L52 V67 F69 I78 L86 L89 I106 L109	L52-I84 HydrophobicContact CD2-CD1 4.13Å; V67-I84 HydrophobicContact CB-CD1 4.49Å; V67-I84 HydrophobicContact CG1-CD1 4Å; F69-I84 HydrophobicContact CD2-CD1 3.72Å; F69-I84 HydrophobicContact CD2-CG1 3.83Å; F69-I84 HydrophobicContact CE2-CD1 3.62Å; F69-I84 HydrophobicContact CE2-CG1 3.99Å; I78-I84 HydrophobicContact CG1-CG1 4.43Å; I78-I84 HydrophobicContact CG1-CG2 4.41Å; I84-L86 HydrophobicContact CG2-CB 3.88Å; I84-L86 PolarHBondContact O-N 3.4Å; I84-L89 HydrophobicContact CB-CD1 4.25Å; I84-L89 HydrophobicContact CD1-CD1 4.39Å; I84-I106 HydrophobicContact CD1-CD1 3.73Å; I84-I106 HydrophobicContact CD1-CG1 4.16Å; I84-L109 HydrophobicContact CG2-CD2 3.78Å
85	C	95.6	Very high	96.5	Very high	12 Å²	12	47.5 Å²	47.5	8%	0.081	27%	0.266	C	S	.	.			trans	-90.5	97.8	162.9	-163.5	0	0	0	0	108.6	N77 D117 L119	N77-C85 HydrophobicContact CB-CB 4.39Å; N77-C85 PolarHBondContact O-N 3.39Å; C85-D117 PolarHBondContact SG-OD2 3.42Å; C85-L119 HydrophobicContact CB-CD1 4.08Å; C85-L119 HydrophobicContact CB-CD2 3.82Å; C85-L119 HydrophobicContact CB-CG 3.62Å
86	L	95.2	Very high	96.4	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.099	29%	0.292	C	S	.	.			trans	-141	124.6	175.2	-175.7	65	0	0	0	106.9	I84 I88 L89 I106 L109	I84-L86 HydrophobicContact CG2-CB 3.88Å; I84-L86 PolarHBondContact O-N 3.4Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD1-CG1 4.46Å; L86-I88 HydrophobicContact CD2-CD1 3.99Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CG1 3.66Å; L86-I88 PolarHBondContact O-N 3.12Å; L86-L89 HydrophobicContact CB-CD1 4.19Å; L86-L89 HydrophobicContact CB-CG 4.37Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 HydrophobicContact CD2-CG 4.33Å; L86-L89 WeakPolarHBondContact O-CB 3.47Å; L86-L89 PolarHBondContact O-N 2.93Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; L86-L109 HydrophobicContact CD1-CD2 4.46Å
87	D	94.5	Very high	96.4	Very high	81 Å²	81	52.1 Å²	52.1	43%	0.433	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60	-37.9	-172.7	61.8	-18.9	0	0	0	113.1	L89 R90 S91 Q92	D87-L89 PolarHBondContact O-N 3.43Å; D87-R90 CarbonylContact O-C 3.57Å; D87-R90 VanDerWaalsContact O-C 3.3Å; D87-R90 WeakPolarHBondContact O-CA 3.46Å; D87-R90 PolarHBondContact O-N 2.88Å; D87-S91 PolarHBondContact O-N 2.74Å; D87-Q92 HydrophobicContact CB-CB 4.23Å; D87-Q92 HydrophobicContact CB-CG 3.9Å; D87-Q92 PolarHBondContact O-N 2.84Å
88	I	95.8	Very high	96.3	Very high	21 Å²	21	53.8 Å²	53.8	11%	0.108	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-65.9	-19.6	176.9	63.7	154.2	0	0	0	112.9	L86 Q92 W93 L97 V102 S105	L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CD1-CG1 4.46Å; L86-I88 HydrophobicContact CD2-CD1 3.99Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CG1 3.66Å; L86-I88 PolarHBondContact O-N 3.12Å; I88-Q92 HydrophobicContact CG2-CB 4.33Å; I88-W93 VanDerWaalsContact O-CA 3.28Å; I88-W93 WeakPolarHBondContact O-CA 3.34Å; I88-W93 VanDerWaalsContact O-CB 3.29Å; I88-W93 WeakPolarHBondContact O-CB 3.47Å; I88-W93 VanDerWaalsContact O-CE3 3.27Å; I88-W93 PolarHBondContact O-N 3.25Å; I88-L97 HydrophobicContact CB-CD1 3.82Å; I88-L97 HydrophobicContact CG2-CD1 4.12Å; I88-V102 HydrophobicContact CD1-CB 4.44Å; I88-V102 HydrophobicContact CD1-CG2 4.02Å; I88-S105 WeakPolarHBondContact CD1-OG 3.35Å
89	L	95.7	Very high	96.2	Very high	22 Å²	22	53.8 Å²	53.8	12%	0.115	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-85.8	2.4	171.9	-65.1	176.7	0	0	0	112.4	V67 I84 L86 D87 V102	V67-L89 HydrophobicContact CB-CD1 4.1Å; V67-L89 HydrophobicContact CB-CD2 4.35Å; V67-L89 HydrophobicContact CG2-CD2 3.88Å; I84-L89 HydrophobicContact CB-CD1 4.25Å; I84-L89 HydrophobicContact CD1-CD1 4.39Å; L86-L89 HydrophobicContact CB-CD1 4.19Å; L86-L89 HydrophobicContact CB-CG 4.37Å; L86-L89 HydrophobicContact CD2-CD1 4.32Å; L86-L89 HydrophobicContact CD2-CG 4.33Å; L86-L89 WeakPolarHBondContact O-CB 3.47Å; L86-L89 PolarHBondContact O-N 2.93Å; D87-L89 PolarHBondContact O-N 3.43Å; L89-V102 HydrophobicContact CD2-CG1 3.77Å; L89-V102 HydrophobicContact CD2-CG2 4.22Å
90	R	93.6	Very high	96.2	Very high	141 Å²	141	53.1 Å²	53.1	53%	0.532	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-109.2	-173.7	-59.6	-175.5	-177.2	-162.4	3.2	111	D87 W93	D87-R90 CarbonylContact O-C 3.57Å; D87-R90 VanDerWaalsContact O-C 3.3Å; D87-R90 WeakPolarHBondContact O-CA 3.46Å; D87-R90 PolarHBondContact O-N 2.88Å; R90-W93 PolarHBondContact O-N 3.39Å
91	S	94.1	Very high	96.3	Very high	100 Å²	100	52.8 Å²	52.8	70%	0.699	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.4	-172	46.5	0	0	0	0	113.3	D87	D87-S91 PolarHBondContact O-N 2.74Å
92	Q	96.9	Very high	96.3	Very high	122 Å²	122	46.8 Å²	46.8	57%	0.57	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	11.8	-179.1	-58.9	-70.9	46.9	0	0	112.7	D87 I88 S94	D87-Q92 HydrophobicContact CB-CB 4.23Å; D87-Q92 HydrophobicContact CB-CG 3.9Å; D87-Q92 PolarHBondContact O-N 2.84Å; I88-Q92 HydrophobicContact CG2-CB 4.33Å; Q92-S94 PolarHBondContact O-N 3.32Å
93	W	97.9	Very high	96.3	Very high	28 Å²	28	46.5 Å²	46.5	11%	0.106	26%	0.259	C	S	.	.			trans	-63	133.4	172	178.6	-100.6	0	0	0	110.2	Y60 P61 P64 P65 I88 R90 L97 V102	Y60-W93 HydrophobicContact CD2-CZ2 4.23Å; Y60-W93 AromaticContact CE2-CH2 3.69Å; Y60-W93 HydrophobicContact CE2-CH2 3.69Å; Y60-W93 AromaticContact CE2-CZ2 3.51Å; Y60-W93 HydrophobicContact CE2-CZ2 3.51Å; P61-W93 HydrophobicContact CB-CZ2 4.48Å; P61-W93 PolarHBondContact O-NE1 3.18Å; P64-W93 VanDerWaalsContact CA-CE2 3.47Å; P64-W93 HydrophobicContact CB-CB 4.01Å; P64-W93 HydrophobicContact CB-CD2 3.49Å; P64-W93 VanDerWaalsContact CB-CD2 3.49Å; P64-W93 HydrophobicContact CB-CE3 3.75Å; P64-W93 HydrophobicContact CB-CG 3.59Å; P64-W93 HydrophobicContact CB-CZ3 4.46Å; P64-W93 HydrophobicContact CG-CB 4.17Å; P64-W93 HydrophobicContact CG-CD2 4.45Å; P64-W93 HydrophobicContact CG-CG 4.05Å; P65-W93 VanDerWaalsContact CD-CH2 3.48Å; P65-W93 HydrophobicContact CG-CH2 4.32Å; P65-W93 HydrophobicContact CG-CZ3 4.4Å; I88-W93 VanDerWaalsContact O-CA 3.28Å; I88-W93 WeakPolarHBondContact O-CA 3.34Å; I88-W93 VanDerWaalsContact O-CB 3.29Å; I88-W93 WeakPolarHBondContact O-CB 3.47Å; I88-W93 VanDerWaalsContact O-CE3 3.27Å; I88-W93 PolarHBondContact O-N 3.25Å; R90-W93 PolarHBondContact O-N 3.39Å; W93-L97 HydrophobicContact CD2-CD1 4.49Å; W93-L97 HydrophobicContact CE3-CB 4.12Å; W93-L97 HydrophobicContact CE3-CD1 3.89Å; W93-L97 HydrophobicContact CH2-CB 4.09Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.3Å; W93-V102 HydrophobicContact CZ3-CG2 3.83Å
94	S	97.4	Very high	96.2	Very high	52 Å²	52	48 Å²	48	36%	0.364	26%	0.263	S	S	.	.			trans	-131.6	143.3	171.8	170.3	0	0	0	0	109.4	Q92 A96 L97	Q92-S94 PolarHBondContact O-N 3.32Å; S94-A96 PolarHBondContact O-N 3.06Å; S94-A96 PolarHBondContact OG-N 3.3Å; S94-L97 WeakPolarHBondContact O-CB 3.46Å; S94-L97 PolarHBondContact O-N 2.94Å
95	P	96.8	Very high	96.2	Very high	53 Å²	53	49.6 Å²	49.6	34%	0.344	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-16.3	172.9	-27.9	36.1	0	0	0	115.1	R5 P61 F62	R5-P95 PolarHBondContact NH1-O 2.9Å; R5-P95 PolarHBondContact NH2-O 3Å; P61-P95 HydrophobicContact CB-CB 4.3Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.38Å; F62-P95 HydrophobicContact CD1-CG 4.25Å
96	A	96.5	Very high	96.3	Very high	67 Å²	67	49 Å²	49	55%	0.554	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.3	175	0	0	0	0	0	114.2	S94 K101	S94-A96 PolarHBondContact O-N 3.06Å; S94-A96 PolarHBondContact OG-N 3.3Å; A96-K101 PolarHBondContact O-NZ 3.29Å
97	L	97.4	Very high	96.3	Very high	30 Å²	30	48.9 Å²	48.9	16%	0.157	27%	0.271	C	S	.	.			trans	-76.6	152.4	171.4	-63.7	176.3	0	0	0	110.4	R5 I88 W93 S94 K101	R5-L97 PolarHBondContact NH2-O 3.12Å; I88-L97 HydrophobicContact CB-CD1 3.82Å; I88-L97 HydrophobicContact CG2-CD1 4.12Å; W93-L97 HydrophobicContact CD2-CD1 4.49Å; W93-L97 HydrophobicContact CE3-CB 4.12Å; W93-L97 HydrophobicContact CE3-CD1 3.89Å; W93-L97 HydrophobicContact CH2-CB 4.09Å; W93-L97 HydrophobicContact CZ3-CB 3.78Å; W93-L97 HydrophobicContact CZ3-CD1 4.3Å; S94-L97 WeakPolarHBondContact O-CB 3.46Å; S94-L97 PolarHBondContact O-N 2.94Å; L97-K101 HydrophobicContact CD2-CB 4.44Å; L97-K101 HydrophobicContact CD2-CD 3.93Å
98	T	96.3	Very high	96.3	Very high	38 Å²	38	48.2 Å²	48.2	23%	0.233	27%	0.273	C	S	.	.			trans	-128.5	164.1	-178.6	60.4	0	0	0	0	109.6	E9 S100 K101 V102	E9-T98 HydrophobicContact CG-CG2 4.41Å; E9-T98 WeakPolarHBondContact OE2-CA 3.46Å; E9-T98 WeakPolarHBondContact OE2-CB 3.43Å; T98-S100 PolarHBondContact O-N 3.45Å; T98-K101 PolarHBondContact O-N 3.16Å; T98-K101 VanDerWaalsContact O-N 3.13Å; T98-K101 PolarHBondContact OG1-N 2.97Å; T98-V102 WeakPolarHBondContact O-CG2 3.5Å; T98-V102 PolarHBondContact O-N 2.93Å
99	V	97	Very high	96.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-54.4	-41.4	172.3	174.8	0	0	0	0	111	E9 L13 A23 W33 I54 F56 K101 V102 L103	E9-V99 PolarHBondContact OE2-N 3.39Å; L13-V99 HydrophobicContact CD1-CB 4.19Å; L13-V99 HydrophobicContact CD1-CG1 4.04Å; A23-V99 HydrophobicContact CB-CG1 4.23Å; W33-V99 HydrophobicContact CE3-CG1 4.24Å; W33-V99 HydrophobicContact CE3-CG2 4.33Å; W33-V99 HydrophobicContact CZ3-CB 4.17Å; W33-V99 HydrophobicContact CZ3-CG1 4.06Å; W33-V99 HydrophobicContact CZ3-CG2 3.89Å; I54-V99 HydrophobicContact CD1-CG1 3.76Å; F56-V99 HydrophobicContact CE1-CG2 3.62Å; F56-V99 HydrophobicContact CZ-CG2 3.62Å; V99-K101 PolarHBondContact O-N 2.97Å; V99-V102 WeakPolarHBondContact O-CB 3.35Å; V99-V102 PolarHBondContact O-N 3Å; V99-L103 HydrophobicContact CG1-CD1 3.97Å; V99-L103 HydrophobicContact CG1-CG 4.24Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.17Å
100	S	96	Very high	96.4	Very high	29 Å²	29	47 Å²	47	20%	0.203	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-48.3	176.4	178	0	0	0	0	112.1	P18 T98 V102 L103 L104	P18-S100 WeakPolarHBondContact CG-OG 3.5Å; T98-S100 PolarHBondContact O-N 3.45Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.36Å; S100-L103 PolarHBondContact O-N 2.82Å; S100-L104 WeakPolarHBondContact O-CG 3.29Å; S100-L104 PolarHBondContact O-N 3.11Å
101	K	96	Very high	96.5	Very high	102 Å²	102	43 Å²	43	44%	0.443	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.2	-70.3	178.3	-179.1	175.4	0	112.1	A96 L97 T98 V99 L104 S105	A96-K101 PolarHBondContact O-NZ 3.29Å; L97-K101 HydrophobicContact CD2-CB 4.44Å; L97-K101 HydrophobicContact CD2-CD 3.93Å; T98-K101 PolarHBondContact O-N 3.16Å; T98-K101 VanDerWaalsContact O-N 3.13Å; T98-K101 PolarHBondContact OG1-N 2.97Å; V99-K101 PolarHBondContact O-N 2.97Å; K101-L104 PolarHBondContact O-N 3.45Å; K101-S105 WeakPolarHBondContact O-CB 3.48Å; K101-S105 PolarHBondContact O-N 3.43Å; K101-S105 PolarHBondContact O-OG 3.36Å; K101-S105 VanDerWaalsContact O-OG 3.12Å
102	V	97.4	Very high	96.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-47.9	176	169	0	0	0	0	111.1	V67 I88 L89 W93 T98 V99 S100 S105 I106	V67-V102 HydrophobicContact CG2-CG1 4.15Å; I88-V102 HydrophobicContact CD1-CB 4.44Å; I88-V102 HydrophobicContact CD1-CG2 4.02Å; L89-V102 HydrophobicContact CD2-CG1 3.77Å; L89-V102 HydrophobicContact CD2-CG2 4.22Å; W93-V102 HydrophobicContact CZ3-CG2 3.83Å; T98-V102 WeakPolarHBondContact O-CG2 3.5Å; T98-V102 PolarHBondContact O-N 2.93Å; V99-V102 WeakPolarHBondContact O-CB 3.35Å; V99-V102 PolarHBondContact O-N 3Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.36Å; V102-S105 PolarHBondContact O-N 3.26Å; V102-I106 HydrophobicContact CG1-CD1 3.89Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3Å
103	L	97.5	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-43.6	179.3	-66.2	174.1	0	0	0	111.6	C21 A23 A35 I37 I54 V99 S100 S105 I106 C107	C21-L103 HydrophobicContact CB-CB 4.19Å; C21-L103 HydrophobicContact CB-CD1 4.25Å; A23-L103 HydrophobicContact CB-CD1 4.02Å; A35-L103 HydrophobicContact CB-CD1 4.22Å; A35-L103 HydrophobicContact CB-CD2 3.69Å; I37-L103 HydrophobicContact CD1-CD2 4.13Å; I37-L103 HydrophobicContact CG1-CD2 4.31Å; I54-L103 HydrophobicContact CD1-CD2 4.48Å; V99-L103 HydrophobicContact CG1-CD1 3.97Å; V99-L103 HydrophobicContact CG1-CG 4.24Å; V99-L103 WeakPolarHBondContact O-CG 3.4Å; V99-L103 PolarHBondContact O-N 3.17Å; S100-L103 PolarHBondContact O-N 2.82Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.25Å; L103-I106 PolarHBondContact O-N 3.04Å; L103-I106 VanDerWaalsContact O-N 3.16Å; L103-C107 PolarHBondContact O-N 2.94Å; L103-C107 PolarHBondContact O-SG 3.3Å; L103-C107 VanDerWaalsContact O-SG 3.36Å
104	L	95.7	Very high	96.3	Very high	80 Å²	80	40.3 Å²	40.3	42%	0.419	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-41.3	175.3	-70.4	173	0	0	0	112.3	P18 S100 K101 I106 C107 S108	P18-L104 HydrophobicContact CB-CD1 4.26Å; P18-L104 HydrophobicContact CB-CD2 3.75Å; P18-L104 HydrophobicContact CB-CG 3.85Å; S100-L104 WeakPolarHBondContact O-CG 3.29Å; S100-L104 PolarHBondContact O-N 3.11Å; K101-L104 PolarHBondContact O-N 3.45Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-C107 WeakPolarHBondContact O-CB 3.41Å; L104-C107 PolarHBondContact O-N 3.21Å; L104-S108 PolarHBondContact O-N 3.1Å
105	S	96.2	Very high	96.1	Very high	41 Å²	41	38.8 Å²	38.8	29%	0.287	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-35.8	175.1	-66.7	0	0	0	0	112.5	I88 K101 V102 L103 S108 L109	I88-S105 WeakPolarHBondContact CD1-OG 3.35Å; K101-S105 WeakPolarHBondContact O-CB 3.48Å; K101-S105 PolarHBondContact O-N 3.43Å; K101-S105 PolarHBondContact O-OG 3.36Å; K101-S105 VanDerWaalsContact O-OG 3.12Å; V102-S105 PolarHBondContact O-N 3.26Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.25Å; S105-S108 PolarHBondContact O-N 2.86Å; S105-L109 WeakPolarHBondContact O-CB 3.46Å; S105-L109 PolarHBondContact O-N 2.94Å
106	I	97.3	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-42	173.3	-65.4	164.5	0	0	0	110.5	I37 L52 V67 F69 I84 L86 V102 L103 L104 S108 L109 L110	I37-I106 HydrophobicContact CD1-CB 3.91Å; I37-I106 HydrophobicContact CD1-CG2 3.53Å; L52-I106 HydrophobicContact CD2-CD1 3.98Å; L52-I106 HydrophobicContact CD2-CG2 4.41Å; V67-I106 HydrophobicContact CG1-CD1 3.91Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.73Å; I84-I106 HydrophobicContact CD1-CD1 3.73Å; I84-I106 HydrophobicContact CD1-CG1 4.16Å; L86-I106 HydrophobicContact CD2-CG1 3.83Å; V102-I106 HydrophobicContact CG1-CD1 3.89Å; V102-I106 WeakPolarHBondContact O-CG1 3.38Å; V102-I106 PolarHBondContact O-N 3Å; L103-I106 PolarHBondContact O-N 3.04Å; L103-I106 VanDerWaalsContact O-N 3.16Å; L104-I106 VanDerWaalsContact C-N 3.34Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.84Å; I106-L109 WeakPolarHBondContact O-CB 3.47Å; I106-L109 PolarHBondContact O-N 3.29Å; I106-L109 VanDerWaalsContact O-N 3.12Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 2.88Å
107	C	96.2	Very high	95.7	Very high	16 Å²	16	43.6 Å²	43.6	11%	0.108	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-44	174.2	-69.5	0	0	0	0	112.2	C21 I37 L103 L104 L109 L110 C111	C21-C107 PolarHBondContact SG-SG 3.49Å; I37-C107 WeakPolarHBondContact CG2-SG 3.4Å; L103-C107 PolarHBondContact O-N 2.94Å; L103-C107 PolarHBondContact O-SG 3.3Å; L103-C107 VanDerWaalsContact O-SG 3.36Å; L104-C107 WeakPolarHBondContact O-CB 3.41Å; L104-C107 PolarHBondContact O-N 3.21Å; C107-L109 VanDerWaalsContact C-N 3.28Å; C107-L109 PolarHBondContact O-N 2.91Å; C107-L110 WeakPolarHBondContact O-CB 3.4Å; C107-L110 PolarHBondContact O-N 2.84Å; C107-C111 PolarHBondContact O-N 3.01Å
108	S	95.4	Very high	95.6	Very high	67 Å²	67	43.9 Å²	43.9	47%	0.469	25%	0.25	S	S	.	.	H	α-helix	trans	-59.9	-41.2	174.2	-170.4	0	0	0	0	111.4	L104 S105 I106 L110 C111 D112	L104-S108 PolarHBondContact O-N 3.1Å; S105-S108 PolarHBondContact O-N 2.86Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.84Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 3.24Å; S108-C111 PolarHBondContact O-N 3Å; S108-D112 PolarHBondContact O-N 3.36Å
109	L	96.4	Very high	95.5	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-36.4	176.8	-174.8	66.9	0	0	0	112	H75 N77 I84 L86 S105 I106 C107 C111 D112 P113	H75-L109 PolarHBondContact NE2-O 2.69Å; N77-L109 HydrophobicContact CB-CD1 4.18Å; N77-L109 HydrophobicContact CB-CD2 4Å; N77-L109 HydrophobicContact CB-CG 4.39Å; I84-L109 HydrophobicContact CG2-CD2 3.78Å; L86-L109 HydrophobicContact CD1-CD2 4.46Å; S105-L109 WeakPolarHBondContact O-CB 3.46Å; S105-L109 PolarHBondContact O-N 2.94Å; I106-L109 WeakPolarHBondContact O-CB 3.47Å; I106-L109 PolarHBondContact O-N 3.29Å; I106-L109 VanDerWaalsContact O-N 3.12Å; C107-L109 VanDerWaalsContact C-N 3.28Å; C107-L109 PolarHBondContact O-N 2.91Å; L109-C111 VanDerWaalsContact C-N 3.34Å; L109-D112 CarbonylContact O-C 3.23Å; L109-D112 VanDerWaalsContact O-C 3.23Å; L109-D112 PolarHBondContact O-N 3.47Å; L109-P113 WeakPolarHBondContact O-CA 3.04Å
110	L	96.9	Very high	95.6	Very high	2 Å²	2	46 Å²	46	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-35	175.5	-64.1	-174.6	0	0	0	112.7	I37 P40 Y45 F69 I73 I78 I106 C107 S108	I37-L110 HydrophobicContact CG2-CD1 4.01Å; P40-L110 HydrophobicContact CG-CB 4.26Å; Y45-L110 HydrophobicContact CD2-CB 3.93Å; Y45-L110 HydrophobicContact CD2-CD2 4.49Å; Y45-L110 HydrophobicContact CE2-CB 4.17Å; Y45-L110 HydrophobicContact CE2-CD2 4.32Å; Y45-L110 VanDerWaalsContact CE2-O 3.24Å; Y45-L110 WeakPolarHBondContact CE2-O 3.47Å; F69-L110 HydrophobicContact CZ-CD2 4.29Å; I73-L110 HydrophobicContact CD1-CD2 3.5Å; I73-L110 VanDerWaalsContact CD1-CD2 3.5Å; I78-L110 HydrophobicContact CD1-CD2 3.9Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 2.88Å; C107-L110 WeakPolarHBondContact O-CB 3.4Å; C107-L110 PolarHBondContact O-N 2.84Å; S108-L110 VanDerWaalsContact C-N 3.29Å; S108-L110 PolarHBondContact O-N 3.24Å
111	C	94.8	Very high	95.6	Very high	57 Å²	57	48.9 Å²	48.9	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-74.3	-43.9	174.5	-65.1	0	0	0	0	111.8	P40 C107 S108 L109 P113	P40-C111 WeakPolarHBondContact CB-SG 3.49Å; P40-C111 VanDerWaalsContact CG-SG 3.59Å; C107-C111 PolarHBondContact O-N 3.01Å; S108-C111 PolarHBondContact O-N 3Å; L109-C111 VanDerWaalsContact C-N 3.34Å; C111-P113 VanDerWaalsContact C-CD 3.49Å; C111-P113 VanDerWaalsContact O-CD 3.3Å; C111-P113 WeakPolarHBondContact O-CD 3.48Å
112	D	95	Very high	95.7	Very high	112 Å²	112	51.4 Å²	51.4	60%	0.599	29%	0.292	S	S	*	.	S	Bend	trans	-123.2	78.8	-173.3	-60.9	-54.2	0	0	0	110.8	S108 L109	S108-D112 PolarHBondContact O-N 3.36Å; L109-D112 CarbonylContact O-C 3.23Å; L109-D112 VanDerWaalsContact O-C 3.23Å; L109-D112 PolarHBondContact O-N 3.47Å
113	P	96.1	Very high	95.7	Very high	13 Å²	13	52.1 Å²	52.1	8%	0.084	30%	0.296	C	S	.	.			trans	-58.4	146.8	175.8	-21.4	29.3	0	0	0	111.8	H75 P76 L109 C111 P115 Y127	H75-P113 WeakPolarHBondContact NE2-CG 3.3Å; P76-P113 HydrophobicContact CG-CB 3.46Å; P76-P113 VanDerWaalsContact CG-CB 3.46Å; P76-P113 HydrophobicContact CG-CG 4.42Å; L109-P113 WeakPolarHBondContact O-CA 3.04Å; C111-P113 VanDerWaalsContact C-CD 3.49Å; C111-P113 VanDerWaalsContact O-CD 3.3Å; C111-P113 WeakPolarHBondContact O-CD 3.48Å; P113-P115 WeakPolarHBondContact O-CD 3.48Å; P113-Y127 HydrophobicContact CB-CE2 4.12Å; P113-Y127 HydrophobicContact CG-CD2 4.29Å; P113-Y127 HydrophobicContact CG-CE2 3.66Å
114	N	94.6	Very high	95.7	Very high	69 Å²	69	52.3 Å²	52.3	37%	0.369	30%	0.298	S	S	.	.			trans	-100.6	91.9	173.8	179.6	0.6	0	0	0	110.7	N77 D116 D117	N77-N114 PolarHBondContact ND2-O 2.87Å; N77-N114 PolarHBondContact OD1-N 3.13Å; N77-N114 PolarHBondContact OD1-O 2.94Å; N114-D116 PolarHBondContact O-N 3.18Å; N114-D116 WeakPolarHBondContact OD1-CB 3.48Å; N114-D116 PolarHBondContact OD1-N 3.23Å; N114-D117 PolarHBondContact OD1-N 3.41Å
115	P	93.4	Very high	95.8	Very high	21 Å²	21	54.8 Å²	54.8	14%	0.136	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.4	-179.6	35.5	-41.3	0	0	0	114.2	P113 A124 Y127 K128	P113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-A124 HydrophobicContact CB-CB 4.14Å; P115-Y127 HydrophobicContact CB-CD1 3.83Å; P115-Y127 HydrophobicContact CB-CE1 4.34Å; P115-Y127 HydrophobicContact CG-CD1 3.83Å; P115-Y127 HydrophobicContact CG-CE1 3.87Å; P115-K128 HydrophobicContact CB-CD 3.97Å; P115-K128 HydrophobicContact CB-CG 3.89Å; P115-K128 HydrophobicContact CG-CD 4.32Å; P115-K128 HydrophobicContact CG-CG 4.1Å; P115-K128 PolarHBondContact O-NZ 3.37Å
116	D	92.9	Very high	95.9	Very high	130 Å²	130	54 Å²	54	70%	0.695	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-21.5	177.1	-62.9	-35.7	0	0	0	112.6	N114 P118 K128	N114-D116 PolarHBondContact O-N 3.18Å; N114-D116 WeakPolarHBondContact OD1-CB 3.48Å; N114-D116 PolarHBondContact OD1-N 3.23Å; D116-P118 VanDerWaalsContact C-CD 3.43Å; D116-K128 WeakPolarHBondContact OD1-CE 3.41Å; D116-K128 IonicContact OD1-NZ 2.72Å; D116-K128 PolarHBondContact OD1-NZ 2.74Å
117	D	91.6	Very high	95.9	Very high	90 Å²	90	55 Å²	55	48%	0.481	30%	0.304	S	S	.	.	S	Bend	trans	-128.1	63.6	170.5	-171.7	22.4	0	0	0	112.2	N77 C85 N114	N77-D117 PolarHBondContact ND2-O 3.17Å; C85-D117 PolarHBondContact SG-OD2 3.42Å; N114-D117 PolarHBondContact OD1-N 3.41Å
118	P	94	Very high	96	Very high	37 Å²	37	59.8 Å²	59.8	24%	0.24	32%	0.323	C	S	.	.			trans	-82.5	143.8	-175.4	34.8	-36.1	0	0	0	112.8	P76 D116 V120 A124	P76-P118 HydrophobicContact CB-CB 4.28Å; P76-P118 CarbonylContact O-C 3.58Å; P76-P118 WeakPolarHBondContact O-CA 3.24Å; D116-P118 VanDerWaalsContact C-CD 3.43Å; P118-V120 VanDerWaalsContact C-N 3.34Å; P118-A124 HydrophobicContact CB-CB 3.44Å; P118-A124 VanDerWaalsContact CB-CB 3.44Å; P118-A124 HydrophobicContact CG-CB 3.67Å
119	L	95.8	Very high	96.1	Very high	53 Å²	53	60 Å²	60	28%	0.277	33%	0.329	S	S	.	.	S	Bend	trans	-78.5	-23.5	162.7	-66.9	-175.6	0	0	0	112.4	P76 N77 N79 S83 C85	P76-L119 PolarHBondContact O-N 2.93Å; N77-L119 WeakPolarHBondContact O-CD1 3.33Å; N79-L119 HydrophobicContact CB-CB 4.2Å; N79-L119 HydrophobicContact CB-CD1 4.37Å; S83-L119 WeakPolarHBondContact O-CD1 3.24Å; C85-L119 HydrophobicContact CB-CD1 4.08Å; C85-L119 HydrophobicContact CB-CD2 3.82Å; C85-L119 HydrophobicContact CB-CG 3.62Å
120	V	97.6	Very high	96.1	Very high	30 Å²	30	62.6 Å²	62.6	18%	0.182	34%	0.343	C	S	.	.			trans	-125.3	88.7	-179.5	-165.7	0	0	0	0	109	P76 I78 N79 P118 E122 I123 A124	P76-V120 PolarHBondContact O-N 2.91Å; I78-V120 WeakPolarHBondContact O-CG2 3.44Å; N79-V120 HydrophobicContact CB-CG2 4.12Å; P118-V120 VanDerWaalsContact C-N 3.34Å; V120-E122 PolarHBondContact O-N 3.42Å; V120-I123 HydrophobicContact CB-CB 4.22Å; V120-I123 HydrophobicContact CB-CD1 3.99Å; V120-I123 HydrophobicContact CB-CG1 4.08Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.74Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.36Å; V120-I123 PolarHBondContact O-N 2.8Å; V120-I123 VanDerWaalsContact O-N 3.11Å; V120-A124 PolarHBondContact O-N 3.03Å; V120-A124 VanDerWaalsContact O-N 3.1Å
121	P	97.4	Very high	96.1	Very high	90 Å²	90	68.3 Å²	68.3	58%	0.584	36%	0.364	S	S	*	.	H	α-helix	trans	-55.6	-33.8	-176.4	-28.5	36	0	0	0	114.1	A124 H125	P121-A124 PolarHBondContact O-N 3.26Å; P121-H125 WeakPolarHBondContact O-CB 3.32Å; P121-H125 PolarHBondContact O-N 2.84Å
122	E	97.4	Very high	96.3	Very high	156 Å²	156	73.3 Å²	73.3	73%	0.729	38%	0.382	S	S	*	.	H	α-helix	trans	-64.2	-42.1	178.3	-62.4	173.6	-175.5	0	0	112.5	V120 T126	V120-E122 PolarHBondContact O-N 3.42Å; E122-T126 PolarHBondContact O-N 3.48Å; E122-T126 PolarHBondContact O-OG1 3.02Å
123	I	98.1	Very high	96.4	Very high	16 Å²	16	72.3 Å²	72.3	8%	0.082	37%	0.372	C	S	.	.	H	α-helix	trans	-69.1	-40.2	176	-60.6	-179	0	0	0	109.5	Y74 P76 V120 T126 Y127 Y134	Y74-I123 HydrophobicContact CD1-CD1 4.45Å; Y74-I123 HydrophobicContact CD1-CG2 4.11Å; Y74-I123 HydrophobicContact CD2-CD1 3.64Å; Y74-I123 HydrophobicContact CD2-CG1 4.16Å; Y74-I123 HydrophobicContact CE1-CB 4.49Å; Y74-I123 HydrophobicContact CE1-CD1 4.43Å; Y74-I123 HydrophobicContact CE1-CG1 4.23Å; Y74-I123 HydrophobicContact CE1-CG2 3.69Å; Y74-I123 HydrophobicContact CE2-CD1 3.6Å; Y74-I123 HydrophobicContact CE2-CG1 3.59Å; Y74-I123 HydrophobicContact CG-CD1 4.08Å; P76-I123 HydrophobicContact CB-CB 4.33Å; P76-I123 HydrophobicContact CB-CG2 4.02Å; P76-I123 HydrophobicContact CG-CG2 4.46Å; V120-I123 HydrophobicContact CB-CB 4.22Å; V120-I123 HydrophobicContact CB-CD1 3.99Å; V120-I123 HydrophobicContact CB-CG1 4.08Å; V120-I123 HydrophobicContact CG1-CB 4.18Å; V120-I123 HydrophobicContact CG1-CD1 3.74Å; V120-I123 HydrophobicContact CG1-CG1 3.62Å; V120-I123 HydrophobicContact CG2-CD1 4.36Å; V120-I123 PolarHBondContact O-N 2.8Å; V120-I123 VanDerWaalsContact O-N 3.11Å; I123-T126 PolarHBondContact O-N 2.93Å; I123-Y127 WeakPolarHBondContact O-CB 3.34Å; I123-Y127 PolarHBondContact O-N 2.91Å; I123-Y134 HydrophobicContact CG2-CD2 4Å; I123-Y134 HydrophobicContact CG2-CE2 3.7Å
124	A	97.7	Very high	96.5	Very high	4 Å²	4	71.8 Å²	71.8	3%	0.033	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-40.3	177.5	0	0	0	0	0	112.5	P76 P115 P118 V120 P121 Y127 K128	P76-A124 HydrophobicContact CB-CB 3.84Å; P115-A124 HydrophobicContact CB-CB 4.14Å; P118-A124 HydrophobicContact CB-CB 3.44Å; P118-A124 VanDerWaalsContact CB-CB 3.44Å; P118-A124 HydrophobicContact CG-CB 3.67Å; V120-A124 PolarHBondContact O-N 3.03Å; V120-A124 VanDerWaalsContact O-N 3.1Å; P121-A124 PolarHBondContact O-N 3.26Å; A124-Y127 PolarHBondContact O-N 2.81Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 WeakPolarHBondContact O-CG 3.49Å; A124-K128 PolarHBondContact O-N 3.22Å
125	H	97.8	Very high	96.7	Very high	132 Å²	132	70.4 Å²	70.4	61%	0.611	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-47.8	172.7	178.9	73.7	0	0	0	110.9	P121 Y127 K128 A129	P121-H125 WeakPolarHBondContact O-CB 3.32Å; P121-H125 PolarHBondContact O-N 2.84Å; H125-Y127 VanDerWaalsContact C-N 3.33Å; H125-Y127 PolarHBondContact O-N 2.66Å; H125-K128 PolarHBondContact O-N 2.98Å; H125-A129 VanDerWaalsContact O-CB 3.24Å; H125-A129 WeakPolarHBondContact O-CB 3.49Å; H125-A129 PolarHBondContact O-N 2.86Å
126	T	97.8	Very high	97	Very high	23 Å²	23	75 Å²	75	14%	0.141	38%	0.376	C	S	.	.	H	α-helix	trans	-59.8	-43.7	175.9	-54.6	0	0	0	0	111.2	E122 I123 K128 A129 D130 K133	E122-T126 PolarHBondContact O-N 3.48Å; E122-T126 PolarHBondContact O-OG1 3.02Å; I123-T126 PolarHBondContact O-N 2.93Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.46Å; T126-A129 PolarHBondContact O-N 2.81Å; T126-D130 CarbonylContact O-C 3.24Å; T126-D130 VanDerWaalsContact O-C 3.24Å; T126-D130 WeakPolarHBondContact O-CA 3.28Å; T126-D130 PolarHBondContact O-N 3.01Å; T126-K133 HydrophobicContact CG2-CB 4.47Å; T126-K133 HydrophobicContact CG2-CD 4.15Å; T126-K133 HydrophobicContact CG2-CG 4.13Å
127	Y	97.7	Very high	97.2	Very high	22 Å²	22	70.6 Å²	70.6	9%	0.086	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-37.3	178	178.3	-93.6	0	0	0	113.4	P113 P115 I123 A124 H125 R131 Y134	P113-Y127 HydrophobicContact CB-CE2 4.12Å; P113-Y127 HydrophobicContact CG-CD2 4.29Å; P113-Y127 HydrophobicContact CG-CE2 3.66Å; P115-Y127 HydrophobicContact CB-CD1 3.83Å; P115-Y127 HydrophobicContact CB-CE1 4.34Å; P115-Y127 HydrophobicContact CG-CD1 3.83Å; P115-Y127 HydrophobicContact CG-CE1 3.87Å; I123-Y127 WeakPolarHBondContact O-CB 3.34Å; I123-Y127 PolarHBondContact O-N 2.91Å; A124-Y127 PolarHBondContact O-N 2.81Å; H125-Y127 VanDerWaalsContact C-N 3.33Å; H125-Y127 PolarHBondContact O-N 2.66Å; Y127-R131 VanDerWaalsContact CE2-CZ 3.43Å; Y127-R131 PolarHBondContact O-NE 3.28Å; Y127-R131 VanDerWaalsContact OH-CZ 3.22Å; Y127-R131 PolarHBondContact OH-NH1 3.39Å; Y127-R131 PolarHBondContact OH-NH2 2.96Å; Y127-R131 VanDerWaalsContact OH-NH2 3.14Å; Y127-Y134 AromaticContact CD2-CD1 3.56Å; Y127-Y134 HydrophobicContact CD2-CD1 3.56Å; Y127-Y134 AromaticContact CD2-CD2 3.94Å; Y127-Y134 HydrophobicContact CD2-CD2 3.94Å; Y127-Y134 AromaticContact CD2-CE1 3.53Å; Y127-Y134 HydrophobicContact CD2-CE1 3.53Å; Y127-Y134 AromaticContact CD2-CE2 3.91Å; Y127-Y134 HydrophobicContact CD2-CE2 3.91Å; Y127-Y134 AromaticContact CD2-CG 3.76Å; Y127-Y134 HydrophobicContact CD2-CG 3.76Å; Y127-Y134 AromaticContact CD2-CZ 3.68Å; Y127-Y134 HydrophobicContact CE2-CD1 4.14Å; Y127-Y134 AromaticContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CG-CD2 4.45Å; Y127-Y134 HydrophobicContact CG-CG 4.47Å
128	K	97.1	Very high	97.5	Very high	117 Å²	117	66.3 Å²	66.3	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-78.6	-40.7	177.6	-77.6	175	161.2	158.8	0	112.7	P115 D116 A124 H125 T126	P115-K128 HydrophobicContact CB-CD 3.97Å; P115-K128 HydrophobicContact CB-CG 3.89Å; P115-K128 HydrophobicContact CG-CD 4.32Å; P115-K128 HydrophobicContact CG-CG 4.1Å; P115-K128 PolarHBondContact O-NZ 3.37Å; D116-K128 WeakPolarHBondContact OD1-CE 3.41Å; D116-K128 IonicContact OD1-NZ 2.72Å; D116-K128 PolarHBondContact OD1-NZ 2.74Å; A124-K128 WeakPolarHBondContact O-CB 3.35Å; A124-K128 WeakPolarHBondContact O-CG 3.49Å; A124-K128 PolarHBondContact O-N 3.22Å; H125-K128 PolarHBondContact O-N 2.98Å; T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 PolarHBondContact O-N 3.46Å
129	A	97.4	Very high	97.7	Very high	72 Å²	72	70.5 Å²	70.5	60%	0.595	34%	0.34	S	S	*	.	H	α-helix	trans	-85.8	-36.4	-172.7	0	0	0	0	0	113.5	H125 T126	H125-A129 VanDerWaalsContact O-CB 3.24Å; H125-A129 WeakPolarHBondContact O-CB 3.49Å; H125-A129 PolarHBondContact O-N 2.86Å; T126-A129 PolarHBondContact O-N 2.81Å
130	D	97.5	Very high	97.9	Very high	69 Å²	69	71.9 Å²	71.9	37%	0.369	35%	0.345	S	S	.	.			trans	-148.6	87.3	-174.2	-174.1	-16.3	0	0	0	110.3	T126 E132 K133 Y134	T126-D130 CarbonylContact O-C 3.24Å; T126-D130 VanDerWaalsContact O-C 3.24Å; T126-D130 WeakPolarHBondContact O-CA 3.28Å; T126-D130 PolarHBondContact O-N 3.01Å; D130-E132 VanDerWaalsContact C-N 3.26Å; D130-E132 PolarHBondContact O-N 3.34Å; D130-E132 PolarHBondContact OD1-N 3.29Å; D130-K133 HydrophobicContact CB-CB 3.97Å; D130-K133 PolarHBondContact O-N 3.07Å; D130-K133 WeakPolarHBondContact OD1-CB 3.26Å; D130-K133 PolarHBondContact OD1-N 3.37Å; D130-K133 WeakPolarHBondContact OD2-CB 3.37Å; D130-Y134 PolarHBondContact O-N 3.33Å
131	R	97.3	Very high	97.9	Very high	122 Å²	122	74.5 Å²	74.5	46%	0.46	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-32.9	-178.4	-175	61.9	66.2	90.2	5.1	112.4	Y127 N135	Y127-R131 VanDerWaalsContact CE2-CZ 3.43Å; Y127-R131 PolarHBondContact O-NE 3.28Å; Y127-R131 VanDerWaalsContact OH-CZ 3.22Å; Y127-R131 PolarHBondContact OH-NH1 3.39Å; Y127-R131 PolarHBondContact OH-NH2 2.96Å; Y127-R131 VanDerWaalsContact OH-NH2 3.14Å; R131-N135 WeakPolarHBondContact O-CB 3.49Å; R131-N135 VanDerWaalsContact O-CG 3.24Å; R131-N135 PolarHBondContact O-N 2.92Å; R131-N135 PolarHBondContact O-ND2 3.25Å
132	E	97.9	Very high	98	Very high	161 Å²	161	70.4 Å²	70.4	75%	0.752	33%	0.325	S	S	*	.	H	α-helix	trans	-69.5	-45.9	179.6	-66.5	-170.4	165.4	0	0	111.2	D130 N135 R136	D130-E132 VanDerWaalsContact C-N 3.26Å; D130-E132 PolarHBondContact O-N 3.34Å; D130-E132 PolarHBondContact OD1-N 3.29Å; E132-N135 PolarHBondContact O-N 3.19Å; E132-R136 WeakPolarHBondContact O-CB 3.38Å; E132-R136 PolarHBondContact O-N 3.36Å
133	K	98.2	Very high	98	Very high	91 Å²	91	69.1 Å²	69.1	40%	0.396	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-43.3	173.8	179.3	179.4	178.2	-176	0	111.7	T126 D130 R136 L137	T126-K133 HydrophobicContact CG2-CB 4.47Å; T126-K133 HydrophobicContact CG2-CD 4.15Å; T126-K133 HydrophobicContact CG2-CG 4.13Å; D130-K133 HydrophobicContact CB-CB 3.97Å; D130-K133 PolarHBondContact O-N 3.07Å; D130-K133 WeakPolarHBondContact OD1-CB 3.26Å; D130-K133 PolarHBondContact OD1-N 3.37Å; D130-K133 WeakPolarHBondContact OD2-CB 3.37Å; K133-R136 PolarHBondContact O-N 3.24Å; K133-L137 HydrophobicContact CG-CD1 4.01Å; K133-L137 HydrophobicContact CG-CG 4.46Å; K133-L137 WeakPolarHBondContact O-CB 3.48Å; K133-L137 VanDerWaalsContact O-CG 3.32Å; K133-L137 WeakPolarHBondContact O-CG 3.38Å; K133-L137 PolarHBondContact O-N 3.27Å
134	Y	98.4	Very high	98	Very high	3 Å²	3	75.4 Å²	75.4	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-55.3	-53.1	173	169.2	-94	0	0	0	111.2	P44 Y45 Y74 I123 Y127 D130 R136 L137 A138	P44-Y134 HydrophobicContact CG-CE1 4.25Å; Y45-Y134 PolarHBondContact OH-OH 3.14Å; Y74-Y134 HydrophobicContact CD1-CD2 4.23Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CD2 3.78Å; Y74-Y134 HydrophobicContact CE1-CE2 4.08Å; I123-Y134 HydrophobicContact CG2-CD2 4Å; I123-Y134 HydrophobicContact CG2-CE2 3.7Å; Y127-Y134 AromaticContact CD2-CD1 3.56Å; Y127-Y134 HydrophobicContact CD2-CD1 3.56Å; Y127-Y134 AromaticContact CD2-CD2 3.94Å; Y127-Y134 HydrophobicContact CD2-CD2 3.94Å; Y127-Y134 AromaticContact CD2-CE1 3.53Å; Y127-Y134 HydrophobicContact CD2-CE1 3.53Å; Y127-Y134 AromaticContact CD2-CE2 3.91Å; Y127-Y134 HydrophobicContact CD2-CE2 3.91Å; Y127-Y134 AromaticContact CD2-CG 3.76Å; Y127-Y134 HydrophobicContact CD2-CG 3.76Å; Y127-Y134 AromaticContact CD2-CZ 3.68Å; Y127-Y134 HydrophobicContact CE2-CD1 4.14Å; Y127-Y134 AromaticContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CE2-CE1 3.86Å; Y127-Y134 HydrophobicContact CG-CD2 4.45Å; Y127-Y134 HydrophobicContact CG-CG 4.47Å; D130-Y134 PolarHBondContact O-N 3.33Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 2.99Å; Y134-L137 PolarHBondContact O-N 2.84Å; Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.42Å; Y134-A138 PolarHBondContact O-N 2.64Å
135	N	98.2	Very high	98	Very high	39 Å²	39	78.9 Å²	78.9	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-39.1	-178.2	-77	-19.9	0	0	0	111.7	P44 R131 E132 R139	P44-N135 HydrophobicContact CB-CB 4.48Å; R131-N135 WeakPolarHBondContact O-CB 3.49Å; R131-N135 VanDerWaalsContact O-CG 3.24Å; R131-N135 PolarHBondContact O-N 2.92Å; R131-N135 PolarHBondContact O-ND2 3.25Å; E132-N135 PolarHBondContact O-N 3.19Å; N135-R139 WeakPolarHBondContact O-CB 3.34Å; N135-R139 VanDerWaalsContact O-CG 3.25Å; N135-R139 WeakPolarHBondContact O-CG 3.48Å; N135-R139 PolarHBondContact O-N 3.4Å
136	R	98.4	Very high	98	Very high	119 Å²	119	72.9 Å²	72.9	45%	0.449	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-50.2	175.9	-176.1	177.2	56.5	74.1	-1.4	111.7	E132 K133 Y134 A138 R139 E140	E132-R136 WeakPolarHBondContact O-CB 3.38Å; E132-R136 PolarHBondContact O-N 3.36Å; K133-R136 PolarHBondContact O-N 3.24Å; Y134-R136 VanDerWaalsContact C-N 3.29Å; Y134-R136 PolarHBondContact O-N 2.99Å; R136-A138 PolarHBondContact O-N 3.37Å; R136-R139 PolarHBondContact O-N 3.49Å; R136-E140 WeakPolarHBondContact CG-OE1 3.46Å; R136-E140 IonicContact CZ-OE1 3.29Å; R136-E140 IonicContact NH1-OE1 2.81Å; R136-E140 PolarHBondContact NH1-OE1 3.4Å; R136-E140 IonicContact NH1-OE2 2.78Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 2.95Å
137	L	98.3	Very high	97.8	Very high	36 Å²	36	79.8 Å²	79.8	19%	0.188	36%	0.364	C	S	.	.	H	α-helix	trans	-62.7	-41.7	178.6	-69.5	172.1	0	0	0	112	Y74 K133 Y134 E140 W141	Y74-L137 HydrophobicContact CD1-CB 4.13Å; Y74-L137 HydrophobicContact CE1-CB 3.83Å; Y74-L137 HydrophobicContact CE1-CD1 4.28Å; K133-L137 HydrophobicContact CG-CD1 4.01Å; K133-L137 HydrophobicContact CG-CG 4.46Å; K133-L137 WeakPolarHBondContact O-CB 3.48Å; K133-L137 VanDerWaalsContact O-CG 3.32Å; K133-L137 WeakPolarHBondContact O-CG 3.38Å; K133-L137 PolarHBondContact O-N 3.27Å; Y134-L137 PolarHBondContact O-N 2.84Å; L137-E140 PolarHBondContact O-N 3.38Å; L137-W141 VanDerWaalsContact O-CD1 3.24Å; L137-W141 PolarHBondContact O-N 2.94Å
138	A	98.4	Very high	97.8	Very high	0 Å²	0	82.7 Å²	82.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-43.4	175.9	0	0	0	0	0	111.8	P44 Y45 Y74 Y134 R136 W141 T142	P44-A138 HydrophobicContact CB-CB 3.55Å; P44-A138 HydrophobicContact CG-CB 3.72Å; Y45-A138 HydrophobicContact CE1-CB 4.1Å; Y74-A138 HydrophobicContact CD1-CB 4.13Å; Y134-A138 HydrophobicContact CE1-CB 4.49Å; Y134-A138 WeakPolarHBondContact O-CB 3.42Å; Y134-A138 PolarHBondContact O-N 2.64Å; R136-A138 PolarHBondContact O-N 3.37Å; A138-W141 PolarHBondContact O-N 3.12Å; A138-T142 PolarHBondContact O-N 3.09Å; A138-T142 PolarHBondContact O-OG1 2.99Å
139	R	98.3	Very high	97.8	Very high	125 Å²	125	80.8 Å²	80.8	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-43.4	173.9	-73.5	177.3	-164.4	124.5	-1.7	112.9	P44 N135 R136 W141 T142 Q143	P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.46Å; P44-R139 WeakPolarHBondContact O-CG 3.35Å; N135-R139 WeakPolarHBondContact O-CB 3.34Å; N135-R139 VanDerWaalsContact O-CG 3.25Å; N135-R139 WeakPolarHBondContact O-CG 3.48Å; N135-R139 PolarHBondContact O-N 3.4Å; R136-R139 PolarHBondContact O-N 3.49Å; R139-W141 VanDerWaalsContact C-N 3.27Å; R139-W141 PolarHBondContact O-N 3.36Å; R139-T142 WeakPolarHBondContact O-CB 3.25Å; R139-T142 PolarHBondContact O-N 3.34Å; R139-Q143 WeakPolarHBondContact O-CG 3.44Å; R139-Q143 PolarHBondContact O-N 3.27Å
140	E	98.3	Very high	97.8	Very high	83 Å²	83	81.3 Å²	81.3	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-40.3	176.3	-73.6	168.9	-164.4	0	0	111.2	R136 L137 K144	R136-E140 WeakPolarHBondContact CG-OE1 3.46Å; R136-E140 IonicContact CZ-OE1 3.29Å; R136-E140 IonicContact NH1-OE1 2.81Å; R136-E140 PolarHBondContact NH1-OE1 3.4Å; R136-E140 IonicContact NH1-OE2 2.78Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 2.95Å; L137-E140 PolarHBondContact O-N 3.38Å; E140-K144 VanDerWaalsContact O-CB 3.26Å; E140-K144 WeakPolarHBondContact O-CB 3.14Å; E140-K144 PolarHBondContact O-N 3.28Å
141	W	98.4	Very high	97.9	Very high	85 Å²	85	82.1 Å²	82.1	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-69.7	-42.1	175.8	-85	59.5	0	0	0	112.8	K72 Y74 L137 A138 R139 Q143 K144 Y145	K72-W141 HydrophobicContact CB-CE3 4.29Å; K72-W141 HydrophobicContact CB-CZ3 4.09Å; Y74-W141 HydrophobicContact CD2-CD2 4.35Å; Y74-W141 HydrophobicContact CD2-CZ2 4.32Å; Y74-W141 HydrophobicContact CG-CG 4.45Å; L137-W141 VanDerWaalsContact O-CD1 3.24Å; L137-W141 PolarHBondContact O-N 2.94Å; A138-W141 PolarHBondContact O-N 3.12Å; R139-W141 VanDerWaalsContact C-N 3.27Å; R139-W141 PolarHBondContact O-N 3.36Å; W141-Q143 VanDerWaalsContact C-N 3.35Å; W141-Q143 PolarHBondContact O-N 2.87Å; W141-K144 PolarHBondContact O-N 3.25Å; W141-Y145 HydrophobicContact CB-CD2 4.28Å; W141-Y145 HydrophobicContact CD2-CD2 4.06Å; W141-Y145 AromaticContact CD2-CE2 3.74Å; W141-Y145 HydrophobicContact CD2-CE2 3.74Å; W141-Y145 AromaticContact CE3-CD2 3.78Å; W141-Y145 HydrophobicContact CE3-CD2 3.78Å; W141-Y145 AromaticContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CG-CD2 4.3Å; W141-Y145 HydrophobicContact CG-CE2 4.18Å; W141-Y145 HydrophobicContact CZ3-CE2 4.14Å; W141-Y145 WeakPolarHBondContact O-CD2 3.36Å; W141-Y145 PolarHBondContact O-N 3.17Å
142	T	98.5	Very high	97.9	Very high	3 Å²	3	79.6 Å²	79.6	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-56.1	-50.6	174.3	-58.6	0	0	0	0	110.5	P44 Y45 F50 A138 R139 K144 A146 M147	P44-T142 PolarHBondContact O-OG1 2.88Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.39Å; Y45-T142 WeakPolarHBondContact O-CG2 3.4Å; F50-T142 HydrophobicContact CZ-CG2 4.08Å; A138-T142 PolarHBondContact O-N 3.09Å; A138-T142 PolarHBondContact O-OG1 2.99Å; R139-T142 WeakPolarHBondContact O-CB 3.25Å; R139-T142 PolarHBondContact O-N 3.34Å; T142-K144 VanDerWaalsContact C-N 3.28Å; T142-K144 PolarHBondContact O-N 3.08Å; T142-A146 HydrophobicContact CG2-CB 4.41Å; T142-A146 CarbonylContact O-C 3.56Å; T142-A146 WeakPolarHBondContact O-CA 3.41Å; T142-A146 WeakPolarHBondContact O-CB 3.37Å; T142-A146 PolarHBondContact O-N 2.78Å; T142-M147 HydrophobicContact CG2-CG 4.43Å; T142-M147 PolarHBondContact O-N 3.28Å
143	Q	98.1	Very high	97.9	Very high	130 Å²	130	74.1 Å²	74.1	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-36.7	178	-72.2	174.6	4.7	0	0	112.8	R139 W141 M147	R139-Q143 WeakPolarHBondContact O-CG 3.44Å; R139-Q143 PolarHBondContact O-N 3.27Å; W141-Q143 VanDerWaalsContact C-N 3.35Å; W141-Q143 PolarHBondContact O-N 2.87Å; Q143-M147 HydrophobicContact CB-SD 4.3Å; Q143-M147 HydrophobicContact CG-SD 3.75Å
144	K	98.2	Very high	97.9	Very high	147 Å²	147	72.9 Å²	72.9	64%	0.639	32%	0.32	S	S	*	.	H	α-helix	trans	-79.5	-33.5	-175.4	-175.6	172.8	179.1	179.9	0	114	E140 W141 T142	E140-K144 VanDerWaalsContact O-CB 3.26Å; E140-K144 WeakPolarHBondContact O-CB 3.14Å; E140-K144 PolarHBondContact O-N 3.28Å; W141-K144 PolarHBondContact O-N 3.25Å; T142-K144 VanDerWaalsContact C-N 3.28Å; T142-K144 PolarHBondContact O-N 3.08Å
145	Y	98.1	Very high	97.9	Very high	77 Å²	77	78.3 Å²	78.3	30%	0.302	34%	0.344	S	S	.	.	H	α-helix	trans	-122.1	-15.9	-167.7	-59.5	-62.5	0	0	0	114.6	T71 K72 W141	T71-Y145 VanDerWaalsContact CG2-O 3.3Å; T71-Y145 WeakPolarHBondContact CG2-O 3.48Å; K72-Y145 HydrophobicContact CB-CD1 4.27Å; K72-Y145 HydrophobicContact CB-CD2 3.88Å; K72-Y145 HydrophobicContact CB-CE2 4.36Å; K72-Y145 HydrophobicContact CB-CG 3.83Å; K72-Y145 HydrophobicContact CD-CD1 4.1Å; K72-Y145 HydrophobicContact CD-CE1 3.92Å; K72-Y145 HydrophobicContact CD-CE2 4.43Å; K72-Y145 HydrophobicContact CD-CG 4.45Å; W141-Y145 HydrophobicContact CB-CD2 4.28Å; W141-Y145 HydrophobicContact CD2-CD2 4.06Å; W141-Y145 AromaticContact CD2-CE2 3.74Å; W141-Y145 HydrophobicContact CD2-CE2 3.74Å; W141-Y145 AromaticContact CE3-CD2 3.78Å; W141-Y145 HydrophobicContact CE3-CD2 3.78Å; W141-Y145 AromaticContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CE3-CE2 3.66Å; W141-Y145 HydrophobicContact CG-CD2 4.3Å; W141-Y145 HydrophobicContact CG-CE2 4.18Å; W141-Y145 HydrophobicContact CZ3-CE2 4.14Å; W141-Y145 WeakPolarHBondContact O-CD2 3.36Å; W141-Y145 PolarHBondContact O-N 3.17Å
146	A	97.5	Very high	97.8	Very high	6 Å²	6	81.6 Å²	81.6	5%	0.05	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-1.3	-172.1	0	0	0	0	0	113.9	G48 V49 F50 T71 T142	G48-A146 CarbonylContact C-O 3.53Å; G48-A146 WeakPolarHBondContact CA-O 3.48Å; V49-A146 PolarHBondContact N-O 3.24Å; F50-A146 HydrophobicContact CD1-CB 4Å; F50-A146 HydrophobicContact CE1-CB 3.6Å; F50-A146 HydrophobicContact CE2-CB 4.23Å; F50-A146 HydrophobicContact CG-CB 4.48Å; F50-A146 HydrophobicContact CZ-CB 3.73Å; T71-A146 HydrophobicContact CG2-CB 3.86Å; T142-A146 HydrophobicContact CG2-CB 4.41Å; T142-A146 CarbonylContact O-C 3.56Å; T142-A146 WeakPolarHBondContact O-CA 3.41Å; T142-A146 WeakPolarHBondContact O-CB 3.37Å; T142-A146 PolarHBondContact O-N 2.78Å
147	M	93.3	Very high	97.8	Very high	168 Å²	168	78.2 Å²	78.2	83%	0.828	35%	0.347	S	S	*	.			trans	-110	0	177.8	-67	-173.4	72.9	0	0	112.2	T142 Q143	T142-M147 HydrophobicContact CG2-CG 4.43Å; T142-M147 PolarHBondContact O-N 3.28Å; Q143-M147 HydrophobicContact CB-SD 4.3Å; Q143-M147 HydrophobicContact CG-SD 3.75Å

Retrieved 147 of 147 residues in 737.1 ms (Link to these results)

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