Q2MK71_SCHMA Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession Q2MK71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 aa.

						>Q2MK71_SCHMA|Q2MK71
MSTPAQRRLLRDLKRLQSDPPPGICGSPVEDNVMIWNAVIFGPDDTAFEDGTFKLRLDFTEDYPNKPPRVVFTSKMFHPNVYADGSICLDILSNAWSPTYDVLAILTSIQSLLDEPNPNSPANSMAAQLYVENRREYEKRVRACVEESWYEEDV
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	72.5	Confident	94	Very high	237 Å²	237	82.9 Å²	82.9	100%	1.167	41%	0.406	S	S	*	.				0	133.4	0	-83.1	-167.5	-85.8	0	0	107.7
2	S	87.4	Confident	94.3	Very high	67 Å²	67	76.3 Å²	76.3	47%	0.469	37%	0.373	S	S	.	.			trans	-72.2	131.3	179	58.7	0	0	0	0	111.1	Q6 R7	S2-Q6 VanDerWaalsContact CA-OE1 3.29Å; S2-R7 WeakPolarHBondContact OG-CG 3.46Å
3	T	95.8	Very high	94.4	Very high	35 Å²	35	72.3 Å²	72.3	22%	0.215	36%	0.355	C	S	.	.			trans	-73.3	163.8	178.4	73.7	0	0	0	0	111.6	A5 Q6 R7 E61	T3-A5 VanDerWaalsContact C-N 3.27Å; T3-A5 PolarHBondContact O-N 3.43Å; T3-Q6 PolarHBondContact O-N 2.94Å; T3-Q6 VanDerWaalsContact OG1-CG 3.3Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.3Å; T3-Q6 PolarHBondContact OG1-N 2.95Å; T3-R7 PolarHBondContact O-N 2.84Å; T3-E61 WeakPolarHBondContact CB-OE2 3.48Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.38Å; T3-E61 PolarHBondContact OG1-OE2 3.02Å
4	P	97.3	Very high	94.5	Very high	97 Å²	97	78.4 Å²	78.4	63%	0.63	38%	0.378	S	S	*	.	H	α-helix	trans	-55.1	-41.5	172	-25.2	35.5	0	0	0	113	R7 R8	P4-R7 PolarHBondContact O-N 3.41Å; P4-R8 WeakPolarHBondContact O-CB 3.47Å; P4-R8 PolarHBondContact O-N 3.18Å
5	A	98	Very high	94.4	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-46.5	177.1	0	0	0	0	0	111.7	T3 R7 R8 L9 M34 Y63	T3-A5 VanDerWaalsContact C-N 3.27Å; T3-A5 PolarHBondContact O-N 3.43Å; A5-R7 PolarHBondContact O-N 3.02Å; A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.3Å; A5-R8 VanDerWaalsContact O-N 3.14Å; A5-L9 WeakPolarHBondContact O-CG 3.33Å; A5-L9 PolarHBondContact O-N 3.39Å; A5-M34 HydrophobicContact CB-CE 3.88Å; A5-Y63 WeakPolarHBondContact CA-O 3.33Å; A5-Y63 VanDerWaalsContact CB-O 3.32Å; A5-Y63 WeakPolarHBondContact CB-O 3.49Å
6	Q	97.2	Very high	94.4	Very high	54 Å²	54	77.4 Å²	77.4	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-44.1	175.9	-68	175.2	-16.2	0	0	112.2	S2 T3 R8 L9 L10 V33 M34	S2-Q6 VanDerWaalsContact CA-OE1 3.29Å; T3-Q6 PolarHBondContact O-N 2.94Å; T3-Q6 VanDerWaalsContact OG1-CG 3.3Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.3Å; T3-Q6 PolarHBondContact OG1-N 2.95Å; Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 3.3Å; Q6-L9 PolarHBondContact O-N 3.35Å; Q6-L10 WeakPolarHBondContact O-CG 3.08Å; Q6-L10 PolarHBondContact O-N 3.24Å; Q6-V33 HydrophobicContact CB-CG1 4.07Å; Q6-V33 HydrophobicContact CG-CG1 3.65Å; Q6-M34 HydrophobicContact CG-CE 3.66Å; Q6-M34 HydrophobicContact CG-SD 4.19Å
7	R	97.4	Very high	94.2	Very high	150 Å²	150	80.8 Å²	80.8	57%	0.566	38%	0.38	S	S	*	.	H	α-helix	trans	-63.1	-36.2	175.9	-73.3	-175.5	-71.7	169.5	-2.1	112.2	S2 T3 P4 A5 R11	S2-R7 WeakPolarHBondContact OG-CG 3.46Å; T3-R7 PolarHBondContact O-N 2.84Å; P4-R7 PolarHBondContact O-N 3.41Å; A5-R7 PolarHBondContact O-N 3.02Å; R7-R11 PolarHBondContact O-N 3.42Å
8	R	98	Very high	94	Very high	23 Å²	23	81.3 Å²	81.3	9%	0.087	39%	0.394	C	S	.	.	H	α-helix	trans	-63.5	-47.6	173.5	170.7	63.1	-167.6	-96.5	-3.6	110.9	P4 A5 Q6 L10 R11 D12 Y63 P64 P98 Y100	P4-R8 WeakPolarHBondContact O-CB 3.47Å; P4-R8 PolarHBondContact O-N 3.18Å; A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.3Å; A5-R8 VanDerWaalsContact O-N 3.14Å; Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 3.3Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 3.4Å; R8-R11 WeakPolarHBondContact O-CA 3.4Å; R8-R11 VanDerWaalsContact O-CB 3.31Å; R8-R11 WeakPolarHBondContact O-CB 3.39Å; R8-R11 PolarHBondContact O-N 3.36Å; R8-D12 IonicContact CZ-OD1 3.42Å; R8-D12 IonicContact CZ-OD2 3.63Å; R8-D12 IonicContact NE-OD1 2.67Å; R8-D12 PolarHBondContact NE-OD1 2.88Å; R8-D12 IonicContact NE-OD2 3.66Å; R8-D12 PolarHBondContact NE-OD2 3.13Å; R8-D12 IonicContact NH2-OD1 3.25Å; R8-D12 IonicContact NH2-OD2 3.3Å; R8-D12 PolarHBondContact O-N 3.33Å; R8-Y63 HydrophobicContact CB-CD1 4.39Å; R8-Y63 HydrophobicContact CB-CE1 4.44Å; R8-Y63 HydrophobicContact CG-CD1 3.75Å; R8-Y63 HydrophobicContact CG-CE1 3.44Å; R8-Y63 VanDerWaalsContact CG-CE1 3.44Å; R8-P64 HydrophobicContact CG-CB 4.39Å; R8-P64 HydrophobicContact CG-CG 4.37Å; R8-P64 VanDerWaalsContact NH1-CG 3.27Å; R8-P98 PolarHBondContact NH1-O 3.35Å; R8-Y100 PolarHBondContact NH2-O 3.42Å
9	L	98.1	Very high	93.4	Very high	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-63.2	-37.2	-179.9	-71.3	165.5	0	0	0	112.9	A5 Q6 R11 D12 L13 V33 M34 W36 F59 Y63	A5-L9 WeakPolarHBondContact O-CG 3.33Å; A5-L9 PolarHBondContact O-N 3.39Å; Q6-L9 PolarHBondContact O-N 3.35Å; L9-R11 PolarHBondContact O-N 3.38Å; L9-D12 PolarHBondContact O-N 3.02Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.03Å; L9-V33 HydrophobicContact CB-CG2 3.94Å; L9-V33 WeakPolarHBondContact CD1-O 3.45Å; L9-M34 HydrophobicContact CD1-SD 3.45Å; L9-M34 WeakPolarHBondContact CD1-SD 3.41Å; L9-W36 HydrophobicContact CB-CZ2 4.38Å; L9-W36 HydrophobicContact CD2-CZ2 4.36Å; L9-F59 HydrophobicContact CD1-CB 4.06Å; L9-F59 HydrophobicContact CD1-CD1 4.44Å; L9-F59 HydrophobicContact CD1-CD2 4.36Å; L9-F59 HydrophobicContact CD1-CG 4.03Å; L9-F59 HydrophobicContact CD2-CD1 3.56Å; L9-F59 HydrophobicContact CD2-CD2 3.99Å; L9-F59 HydrophobicContact CD2-CE1 3.55Å; L9-F59 HydrophobicContact CD2-CE2 4Å; L9-F59 HydrophobicContact CD2-CG 3.81Å; L9-F59 HydrophobicContact CD2-CZ 3.79Å; L9-Y63 HydrophobicContact CD1-CD1 4.43Å; L9-Y63 HydrophobicContact CD2-CD1 3.7Å; L9-Y63 HydrophobicContact CD2-CE1 3.46Å; L9-Y63 VanDerWaalsContact CD2-CE1 3.46Å; L9-Y63 HydrophobicContact CG-CD1 3.78Å; L9-Y63 HydrophobicContact CG-CE1 3.92Å
10	L	95.9	Very high	92.8	Very high	96 Å²	96	82.8 Å²	82.8	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-32.5	173.3	-68.4	174.6	0	0	0	112.7	Q6 R8 K14 V33	Q6-L10 WeakPolarHBondContact O-CG 3.08Å; Q6-L10 PolarHBondContact O-N 3.24Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 3.4Å; L10-K14 PolarHBondContact O-N 2.99Å; L10-K14 VanDerWaalsContact O-N 3.12Å; L10-V33 HydrophobicContact CD2-CG2 4.27Å
11	R	96.6	Very high	92.4	Very high	153 Å²	153	80.3 Å²	80.3	58%	0.577	40%	0.4	S	S	*	.	H	α-helix	trans	-70.6	-42	173.3	-176.2	-178.9	68	-159.6	12.7	111.3	R7 R8 L9 L13 K14 R15	R7-R11 PolarHBondContact O-N 3.42Å; R8-R11 WeakPolarHBondContact O-CA 3.4Å; R8-R11 VanDerWaalsContact O-CB 3.31Å; R8-R11 WeakPolarHBondContact O-CB 3.39Å; R8-R11 PolarHBondContact O-N 3.36Å; L9-R11 PolarHBondContact O-N 3.38Å; R11-L13 VanDerWaalsContact C-N 3.31Å; R11-K14 PolarHBondContact O-N 3.5Å; R11-R15 PolarHBondContact O-N 3.12Å
12	D	97	Very high	93.3	Very high	3 Å²	3	74.6 Å²	74.6	2%	0.016	38%	0.381	C	S	.	.	H	α-helix	trans	-64	-39.3	177.5	-66.2	9.9	0	0	0	110.7	R8 L9 K14 R15 L16 Y63 D101 V102	R8-D12 IonicContact CZ-OD1 3.42Å; R8-D12 IonicContact CZ-OD2 3.63Å; R8-D12 IonicContact NE-OD1 2.67Å; R8-D12 PolarHBondContact NE-OD1 2.88Å; R8-D12 IonicContact NE-OD2 3.66Å; R8-D12 PolarHBondContact NE-OD2 3.13Å; R8-D12 IonicContact NH2-OD1 3.25Å; R8-D12 IonicContact NH2-OD2 3.3Å; R8-D12 PolarHBondContact O-N 3.33Å; L9-D12 PolarHBondContact O-N 3.02Å; D12-K14 PolarHBondContact O-N 3.28Å; D12-R15 PolarHBondContact O-N 3.02Å; D12-L16 WeakPolarHBondContact O-CB 3.31Å; D12-L16 PolarHBondContact O-N 3.05Å; D12-Y63 WeakPolarHBondContact OD2-CE1 3.38Å; D12-Y63 PolarHBondContact OD2-OH 3.25Å; D12-D101 HydrophobicContact CB-CB 4.29Å; D12-D101 WeakPolarHBondContact OD2-CB 3.39Å; D12-V102 HydrophobicContact CB-CB 4.39Å; D12-V102 HydrophobicContact CB-CG2 3.91Å
13	L	96	Very high	93.6	Very high	25 Å²	25	72.6 Å²	72.6	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-47.6	173.4	-179.6	60.5	0	0	0	111.4	L9 R11 R15 L16 Q17 P28 W36	L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 PolarHBondContact O-N 3.03Å; R11-L13 VanDerWaalsContact C-N 3.31Å; L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 2.91Å; L13-L16 PolarHBondContact O-N 3.21Å; L13-Q17 HydrophobicContact CD1-CG 4.2Å; L13-Q17 WeakPolarHBondContact O-CB 3.49Å; L13-Q17 WeakPolarHBondContact O-CG 3.43Å; L13-Q17 PolarHBondContact O-N 3.34Å; L13-P28 HydrophobicContact CD2-CG 4.08Å; L13-W36 HydrophobicContact CB-CH2 3.58Å; L13-W36 HydrophobicContact CB-CZ2 3.99Å; L13-W36 HydrophobicContact CD1-CH2 3.88Å; L13-W36 HydrophobicContact CD1-CZ3 4.1Å; L13-W36 HydrophobicContact CG-CH2 4.31Å
14	K	95.2	Very high	93.6	Very high	157 Å²	157	71 Å²	71	68%	0.683	36%	0.361	S	S	*	.	H	α-helix	trans	-60.1	-39.6	177.6	-171.7	177.1	-178.4	179.2	0	111.7	L10 R11 D12 S18	L10-K14 PolarHBondContact O-N 2.99Å; L10-K14 VanDerWaalsContact O-N 3.12Å; R11-K14 PolarHBondContact O-N 3.5Å; D12-K14 PolarHBondContact O-N 3.28Å; K14-S18 WeakPolarHBondContact O-CB 3.49Å; K14-S18 PolarHBondContact O-N 2.71Å; K14-S18 PolarHBondContact O-OG 3.07Å; K14-S18 VanDerWaalsContact O-OG 3.13Å
15	R	94.2	Very high	93.4	Very high	136 Å²	136	69.8 Å²	69.8	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-47.3	177.8	-171.2	-178.3	-175.8	165.2	0.3	111.5	R11 D12 L13 Q17 S18 D19 D101 L103	R11-R15 PolarHBondContact O-N 3.12Å; D12-R15 PolarHBondContact O-N 3.02Å; L13-R15 VanDerWaalsContact C-N 3.27Å; L13-R15 PolarHBondContact O-N 2.91Å; R15-Q17 VanDerWaalsContact C-N 3.28Å; R15-Q17 PolarHBondContact O-N 2.92Å; R15-S18 WeakPolarHBondContact CA-OG 3.47Å; R15-S18 PolarHBondContact O-N 3.14Å; R15-S18 PolarHBondContact O-OG 2.85Å; R15-D19 PolarHBondContact O-N 2.97Å; R15-D101 WeakPolarHBondContact CD-OD2 3.46Å; R15-D101 IonicContact CZ-OD2 2.78Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.33Å; R15-D101 PolarHBondContact NE-OD2 2.91Å; R15-D101 IonicContact NH1-OD2 2.84Å; R15-D101 PolarHBondContact NH1-OD2 3.39Å; R15-L103 HydrophobicContact CG-CD2 4.23Å
16	L	93.6	Very high	93.3	Very high	5 Å²	5	70.6 Å²	70.6	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-60.9	-37.8	178.5	-173.4	63.1	0	0	0	111.9	D12 L13 P20 I24 G26 W36 V102 L103 L106	D12-L16 WeakPolarHBondContact O-CB 3.31Å; D12-L16 PolarHBondContact O-N 3.05Å; L13-L16 PolarHBondContact O-N 3.21Å; L16-P20 WeakPolarHBondContact O-CA 3.34Å; L16-P20 WeakPolarHBondContact O-CB 3.3Å; L16-I24 HydrophobicContact CD1-CG2 4.47Å; L16-G26 VanDerWaalsContact CD2-O 3.3Å; L16-G26 WeakPolarHBondContact CD2-O 3.45Å; L16-W36 HydrophobicContact CD2-CZ3 3.92Å; L16-V102 HydrophobicContact CD2-CG1 4.26Å; L16-L103 HydrophobicContact CD1-CB 4.29Å; L16-L103 HydrophobicContact CD1-CD1 3.95Å; L16-L106 HydrophobicContact CD2-CD1 4.49Å
17	Q	91.3	Very high	93.2	Very high	135 Å²	135	70.9 Å²	70.9	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-75.1	-30.4	177.4	-72.2	177.7	-21.7	0	0	113.9	L13 R15	L13-Q17 HydrophobicContact CD1-CG 4.2Å; L13-Q17 WeakPolarHBondContact O-CB 3.49Å; L13-Q17 WeakPolarHBondContact O-CG 3.43Å; L13-Q17 PolarHBondContact O-N 3.34Å; R15-Q17 VanDerWaalsContact C-N 3.28Å; R15-Q17 PolarHBondContact O-N 2.92Å
18	S	90.5	Very high	93.2	Very high	90 Å²	90	65.4 Å²	65.4	63%	0.629	35%	0.354	S	S	*	.	H	α-helix	trans	-76.2	-29.9	-177	57.2	0	0	0	0	113.8	K14 R15	K14-S18 WeakPolarHBondContact O-CB 3.49Å; K14-S18 PolarHBondContact O-N 2.71Å; K14-S18 PolarHBondContact O-OG 3.07Å; K14-S18 VanDerWaalsContact O-OG 3.13Å; R15-S18 WeakPolarHBondContact CA-OG 3.47Å; R15-S18 PolarHBondContact O-N 3.14Å; R15-S18 PolarHBondContact O-OG 2.85Å
19	D	83.3	Confident	93.1	Very high	119 Å²	119	66.2 Å²	66.2	64%	0.636	36%	0.362	S	S	*	.	S	Bend	trans	-149.8	67.6	-175.6	-169.6	27.6	0	0	0	109.5	R15 P21	R15-D19 PolarHBondContact O-N 2.97Å; D19-P21 WeakPolarHBondContact O-CD 3.3Å
20	P	80.2	Confident	92.8	Very high	74 Å²	74	74.7 Å²	74.7	48%	0.481	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-69.4	121.8	179.8	27.2	-31.4	0	0	0	109	L16	L16-P20 WeakPolarHBondContact O-CA 3.34Å; L16-P20 WeakPolarHBondContact O-CB 3.3Å
21	P	85.9	Confident	92.6	Very high	30 Å²	30	78.1 Å²	78.1	20%	0.195	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-67.9	155.5	176.8	28	-32.9	0	0	0	109.9	D19 G23 I24 L103	D19-P21 WeakPolarHBondContact O-CD 3.3Å; P21-G23 PolarHBondContact O-N 2.9Å; P21-I24 HydrophobicContact CG-CB 3.97Å; P21-I24 HydrophobicContact CG-CD1 3.82Å; P21-I24 HydrophobicContact CG-CG1 4.32Å; P21-I24 HydrophobicContact CG-CG2 4.47Å; P21-I24 PolarHBondContact O-N 2.94Å; P21-L103 HydrophobicContact CB-CD1 4.48Å; P21-L103 HydrophobicContact CG-CD1 3.33Å
22	P	90.6	Very high	92.5	Very high	117 Å²	117	73.8 Å²	73.8	76%	0.76	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	132.2	179.3	-24	33.5	0	0	0	111.2	I24 Q110	P22-I24 VanDerWaalsContact C-N 3.33Å; P22-I24 PolarHBondContact O-N 2.83Å; P22-Q110 PolarHBondContact O-NE2 2.84Å
23	G	94	Very high	92.5	Very high	25 Å²	25	75.1 Å²	75.1	26%	0.258	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	6.5	173.7	0	0	0	0	0	115.3	P21 I40 F41	P21-G23 PolarHBondContact O-N 2.9Å; G23-I40 CarbonylContact O-C 3.57Å; G23-I40 WeakPolarHBondContact O-CA 3.45Å; G23-F41 WeakPolarHBondContact O-CD2 3.46Å; G23-F41 PolarHBondContact O-N 3.42Å
24	I	95.1	Very high	92.6	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.015	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.1	-178.7	-63.3	173.2	0	0	0	110.6	L16 P21 P22 V39 I40 L106 Q110	L16-I24 HydrophobicContact CD1-CG2 4.47Å; P21-I24 HydrophobicContact CG-CB 3.97Å; P21-I24 HydrophobicContact CG-CD1 3.82Å; P21-I24 HydrophobicContact CG-CG1 4.32Å; P21-I24 HydrophobicContact CG-CG2 4.47Å; P21-I24 PolarHBondContact O-N 2.94Å; P22-I24 VanDerWaalsContact C-N 3.33Å; P22-I24 PolarHBondContact O-N 2.83Å; I24-V39 WeakPolarHBondContact CA-O 3.47Å; I24-I40 HydrophobicContact CG1-CG1 4.38Å; I24-L106 HydrophobicContact CD1-CB 4.21Å; I24-L106 HydrophobicContact CG2-CB 3.54Å; I24-L106 HydrophobicContact CG2-CD1 3.56Å; I24-L106 HydrophobicContact CG2-CG 4.16Å; I24-Q110 HydrophobicContact CD1-CB 4.06Å; I24-Q110 HydrophobicContact CG1-CB 4.48Å
25	C	93	Very high	92.7	Very high	70 Å²	70	69 Å²	69	47%	0.473	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.8	172.1	-69.6	0	0	0	0	110.2	A38 V39	C25-A38 CarbonylContact O-C 3.56Å; C25-A38 WeakPolarHBondContact O-CA 3.27Å; C25-A38 WeakPolarHBondContact O-CB 3.33Å; C25-V39 HydrophobicContact CB-CB 4.43Å; C25-V39 PolarHBondContact N-O 2.79Å; C25-V39 PolarHBondContact O-N 2.9Å
26	G	95.3	Very high	92.9	Very high	17 Å²	17	62.6 Å²	62.6	18%	0.175	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	147.5	173.1	0	0	0	0	0	113.4	L16 N37	L16-G26 VanDerWaalsContact CD2-O 3.3Å; L16-G26 WeakPolarHBondContact CD2-O 3.45Å; G26-N37 CarbonylContact C-O 3.54Å; G26-N37 VanDerWaalsContact CA-O 3.27Å; G26-N37 WeakPolarHBondContact CA-O 3.2Å
27	S	95.9	Very high	93.1	Very high	61 Å²	61	66.5 Å²	66.5	43%	0.427	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	151.6	178.7	57.9	0	0	0	0	111.4	W36 N37	S27-W36 VanDerWaalsContact O-CA 3.29Å; S27-W36 WeakPolarHBondContact O-CA 3.29Å; S27-W36 WeakPolarHBondContact O-CB 3.32Å; S27-N37 PolarHBondContact N-O 3.45Å; S27-N37 PolarHBondContact O-N 2.9Å
28	P	97.7	Very high	93.4	Very high	35 Å²	35	60.2 Å²	60.2	23%	0.227	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	149.5	168.2	27.4	-34.7	0	0	0	111	L13 V33 I35 W36	L13-P28 HydrophobicContact CD2-CG 4.08Å; P28-V33 HydrophobicContact CB-CG2 4.33Å; P28-I35 CarbonylContact C-O 3.57Å; P28-I35 WeakPolarHBondContact CA-O 3.3Å; P28-W36 HydrophobicContact CB-CD2 4.45Å; P28-W36 HydrophobicContact CB-CG 4.37Å
29	V	96.2	Very high	93.7	Very high	40 Å²	40	57.7 Å²	57.7	24%	0.242	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	159.3	169.1	-55.9	0	0	0	0	110.3	D31 N32 I35	V29-D31 PolarHBondContact O-N 3.18Å; V29-N32 HydrophobicContact CG2-CB 3.84Å; V29-N32 WeakPolarHBondContact CG2-O 3.34Å; V29-N32 PolarHBondContact O-N 3.26Å; V29-I35 HydrophobicContact CG1-CB 4.38Å; V29-I35 HydrophobicContact CG1-CG2 3.93Å; V29-I35 HydrophobicContact CG2-CB 3.8Å; V29-I35 HydrophobicContact CG2-CG2 4.18Å; V29-I35 PolarHBondContact N-O 3.3Å
30	E	91.9	Very high	94.4	Very high	178 Å²	178	52 Å²	52	83%	0.832	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	137	176.7	-155.8	168.7	-160.4	0	0	110.4	N32	E30-N32 PolarHBondContact O-N 3.42Å
31	D	91	Very high	95.2	Very high	167 Å²	167	52.8 Å²	52.8	89%	0.893	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	0.8	-179.5	-57.8	-38.8	0	0	0	117.8	V29	V29-D31 PolarHBondContact O-N 3.18Å
32	N	95.3	Very high	95.7	Very high	63 Å²	63	51.6 Å²	51.6	34%	0.337	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	95.3	178.6	-168.4	-5.1	0	0	0	114.1	V29 E30 M34 I35	V29-N32 HydrophobicContact CG2-CB 3.84Å; V29-N32 WeakPolarHBondContact CG2-O 3.34Å; V29-N32 PolarHBondContact O-N 3.26Å; E30-N32 PolarHBondContact O-N 3.42Å; N32-M34 PolarHBondContact O-N 2.89Å; N32-M34 VanDerWaalsContact OD1-CB 3.3Å; N32-M34 WeakPolarHBondContact OD1-CB 3.45Å; N32-M34 PolarHBondContact OD1-N 2.6Å; N32-I35 VanDerWaalsContact ND2-CD1 3.34Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.41Å; N32-I35 PolarHBondContact O-N 3.14Å; N32-I35 VanDerWaalsContact O-N 3.14Å; N32-I35 VanDerWaalsContact O-O 3.07Å
33	V	96.7	Very high	96	Very high	30 Å²	30	47.2 Å²	47.2	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	-15.1	176.3	73.5	0	0	0	0	114.2	Q6 L9 L10 P28 I35 W36	Q6-V33 HydrophobicContact CB-CG1 4.07Å; Q6-V33 HydrophobicContact CG-CG1 3.65Å; L9-V33 HydrophobicContact CB-CG2 3.94Å; L9-V33 WeakPolarHBondContact CD1-O 3.45Å; L10-V33 HydrophobicContact CD2-CG2 4.27Å; P28-V33 HydrophobicContact CB-CG2 4.33Å; V33-I35 VanDerWaalsContact C-N 3.32Å; V33-W36 VanDerWaalsContact O-CD1 3.25Å; V33-W36 PolarHBondContact O-NE1 3.29Å
34	M	97.8	Very high	96	Very high	19 Å²	19	52 Å²	52	9%	0.094	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-4.9	178.6	-58.3	-59.7	-150.7	0	0	113.6	A5 Q6 L9 N32 F59 E61	A5-M34 HydrophobicContact CB-CE 3.88Å; Q6-M34 HydrophobicContact CG-CE 3.66Å; Q6-M34 HydrophobicContact CG-SD 4.19Å; L9-M34 HydrophobicContact CD1-SD 3.45Å; L9-M34 WeakPolarHBondContact CD1-SD 3.41Å; N32-M34 PolarHBondContact O-N 2.89Å; N32-M34 VanDerWaalsContact OD1-CB 3.3Å; N32-M34 WeakPolarHBondContact OD1-CB 3.45Å; N32-M34 PolarHBondContact OD1-N 2.6Å; M34-F59 HydrophobicContact CB-CB 4.44Å; M34-F59 WeakPolarHBondContact O-CB 3.06Å; M34-F59 WeakPolarHBondContact O-CD2 3.48Å; M34-F59 PolarHBondContact O-N 3.32Å; M34-F59 HydrophobicContact SD-CB 4.33Å; M34-E61 HydrophobicContact CE-CG 4.13Å; M34-E61 WeakPolarHBondContact CE-OE1 3.33Å; M34-E61 VanDerWaalsContact CE-OE2 3.3Å; M34-E61 WeakPolarHBondContact CE-OE2 3.36Å
35	I	98.4	Very high	96	Very high	36 Å²	36	59.5 Å²	59.5	19%	0.185	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.5	175.9	-56.9	173	0	0	0	107.4	P28 V29 N32 V33 R56 L57	P28-I35 CarbonylContact C-O 3.57Å; P28-I35 WeakPolarHBondContact CA-O 3.3Å; V29-I35 HydrophobicContact CG1-CB 4.38Å; V29-I35 HydrophobicContact CG1-CG2 3.93Å; V29-I35 HydrophobicContact CG2-CB 3.8Å; V29-I35 HydrophobicContact CG2-CG2 4.18Å; V29-I35 PolarHBondContact N-O 3.3Å; N32-I35 VanDerWaalsContact ND2-CD1 3.34Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.41Å; N32-I35 PolarHBondContact O-N 3.14Å; N32-I35 VanDerWaalsContact O-N 3.14Å; N32-I35 VanDerWaalsContact O-O 3.07Å; V33-I35 VanDerWaalsContact C-N 3.32Å; I35-R56 HydrophobicContact CG2-CG 4.29Å; I35-L57 WeakPolarHBondContact CA-O 3.37Å
36	W	98.3	Very high	96.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.6	179.9	-70.6	44.5	0	0	0	110.6	L9 L13 L16 S27 P28 V33 R56 L57 F59 V102	L9-W36 HydrophobicContact CB-CZ2 4.38Å; L9-W36 HydrophobicContact CD2-CZ2 4.36Å; L13-W36 HydrophobicContact CB-CH2 3.58Å; L13-W36 HydrophobicContact CB-CZ2 3.99Å; L13-W36 HydrophobicContact CD1-CH2 3.88Å; L13-W36 HydrophobicContact CD1-CZ3 4.1Å; L13-W36 HydrophobicContact CG-CH2 4.31Å; L16-W36 HydrophobicContact CD2-CZ3 3.92Å; S27-W36 VanDerWaalsContact O-CA 3.29Å; S27-W36 WeakPolarHBondContact O-CA 3.29Å; S27-W36 WeakPolarHBondContact O-CB 3.32Å; P28-W36 HydrophobicContact CB-CD2 4.45Å; P28-W36 HydrophobicContact CB-CG 4.37Å; V33-W36 VanDerWaalsContact O-CD1 3.25Å; V33-W36 PolarHBondContact O-NE1 3.29Å; W36-R56 WeakPolarHBondContact O-CA 3.38Å; W36-L57 HydrophobicContact CB-CB 4.24Å; W36-L57 PolarHBondContact N-O 3.4Å; W36-L57 PolarHBondContact O-N 2.9Å; W36-F59 HydrophobicContact CB-CE2 4.16Å; W36-F59 AromaticContact CD1-CD2 3.84Å; W36-F59 AromaticContact CD1-CE2 3.47Å; W36-F59 VanDerWaalsContact CD1-CE2 3.47Å; W36-F59 HydrophobicContact CD2-CE2 4.32Å; W36-F59 AromaticContact CG-CE2 3.75Å; W36-F59 HydrophobicContact CG-CE2 3.75Å; W36-F59 AromaticContact NE1-CE2 3.92Å; W36-V102 HydrophobicContact CE3-CG1 3.91Å; W36-V102 HydrophobicContact CE3-CG2 4.4Å; W36-V102 HydrophobicContact CH2-CB 4.48Å; W36-V102 HydrophobicContact CH2-CG2 4.03Å; W36-V102 HydrophobicContact CZ2-CG2 4.37Å; W36-V102 HydrophobicContact CZ3-CB 4.19Å; W36-V102 HydrophobicContact CZ3-CG1 3.77Å; W36-V102 HydrophobicContact CZ3-CG2 4.08Å
37	N	97.7	Very high	96.2	Very high	87 Å²	87	56.9 Å²	56.9	47%	0.465	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.4	162.5	-68.1	-25.3	0	0	0	108.1	G26 S27 L55	G26-N37 CarbonylContact C-O 3.54Å; G26-N37 VanDerWaalsContact CA-O 3.27Å; G26-N37 WeakPolarHBondContact CA-O 3.2Å; S27-N37 PolarHBondContact N-O 3.45Å; S27-N37 PolarHBondContact O-N 2.9Å; N37-L55 WeakPolarHBondContact CA-O 3.4Å
38	A	97.4	Very high	96.3	Very high	3 Å²	3	54 Å²	54	3%	0.025	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.1	175.4	0	0	0	0	0	110.6	C25 K54 L55 L57 L106	C25-A38 CarbonylContact O-C 3.56Å; C25-A38 WeakPolarHBondContact O-CA 3.27Å; C25-A38 WeakPolarHBondContact O-CB 3.33Å; A38-K54 CarbonylContact O-C 3.55Å; A38-K54 WeakPolarHBondContact O-CA 3.36Å; A38-L55 HydrophobicContact CB-CB 4.33Å; A38-L55 PolarHBondContact N-O 2.52Å; A38-L55 PolarHBondContact O-N 2.79Å; A38-L57 HydrophobicContact CB-CD1 3.77Å; A38-L106 HydrophobicContact CB-CD1 3.91Å; A38-L106 HydrophobicContact CB-CD2 3.67Å; A38-L106 HydrophobicContact CB-CG 4.47Å
39	V	96.7	Very high	96.3	Very high	37 Å²	37	55 Å²	55	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.8	175.5	178.3	0	0	0	0	107.7	I24 C25 T52 F53 K54	I24-V39 WeakPolarHBondContact CA-O 3.47Å; C25-V39 HydrophobicContact CB-CB 4.43Å; C25-V39 PolarHBondContact N-O 2.79Å; C25-V39 PolarHBondContact O-N 2.9Å; V39-T52 HydrophobicContact CG1-CG2 3.55Å; V39-F53 WeakPolarHBondContact CA-O 3.42Å; V39-K54 HydrophobicContact CG2-CG 4.42Å
40	I	97.3	Very high	96.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.9	170	-67.6	174.8	0	0	0	107.4	G23 I24 F53 L55 L106 I109 Q110 L113	G23-I40 CarbonylContact O-C 3.57Å; G23-I40 WeakPolarHBondContact O-CA 3.45Å; I24-I40 HydrophobicContact CG1-CG1 4.38Å; I40-F53 PolarHBondContact N-O 2.9Å; I40-F53 PolarHBondContact O-N 2.67Å; I40-L55 HydrophobicContact CB-CD1 4.03Å; I40-L55 HydrophobicContact CD1-CD1 3.8Å; I40-L55 HydrophobicContact CD1-CD2 4.15Å; I40-L55 HydrophobicContact CG1-CD1 3.71Å; I40-L106 HydrophobicContact CD1-CB 4.46Å; I40-L106 HydrophobicContact CD1-CD2 4.13Å; I40-L106 WeakPolarHBondContact CD1-O 3.4Å; I40-L106 HydrophobicContact CG1-CD2 4.45Å; I40-I109 HydrophobicContact CD1-CB 3.75Å; I40-I109 HydrophobicContact CD1-CG2 3.53Å; I40-Q110 HydrophobicContact CG2-CB 3.78Å; I40-Q110 HydrophobicContact CG2-CG 3.83Å; I40-L113 HydrophobicContact CG2-CD1 4.04Å
41	F	96.9	Very high	96.6	Very high	90 Å²	90	49.9 Å²	49.9	40%	0.395	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.3	166.1	-66.4	-74.2	0	0	0	109.3	G23 G51 T52 Q110	G23-F41 WeakPolarHBondContact O-CD2 3.46Å; G23-F41 PolarHBondContact O-N 3.42Å; F41-G51 CarbonylContact C-O 3.58Å; F41-G51 VanDerWaalsContact CA-O 3.26Å; F41-G51 WeakPolarHBondContact CA-O 3.41Å; F41-T52 HydrophobicContact CD1-CG2 4.27Å; F41-T52 HydrophobicContact CE1-CG2 3.78Å; F41-T52 WeakPolarHBondContact CE1-OG1 3.48Å; F41-T52 HydrophobicContact CZ-CG2 4.44Å; F41-Q110 PolarHBondContact O-NE2 2.9Å
42	G	96.9	Very high	96.8	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.3	134.9	176	0	0	0	0	0	111	F48 G51	G42-F48 WeakPolarHBondContact CA-O 3.17Å; G42-G51 PolarHBondContact N-O 2.76Å
43	P	96.5	Very high	97	Very high	24 Å²	24	40.7 Å²	40.7	16%	0.156	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-63.9	147.5	-177.6	-18.6	30.6	0	0	0	112.5	T46 Q110 L113 D114	P43-T46 HydrophobicContact CB-CG2 3.83Å; P43-T46 HydrophobicContact CG-CG2 4.37Å; P43-T46 WeakPolarHBondContact O-CB 3.02Å; P43-T46 PolarHBondContact O-N 2.73Å; P43-T46 PolarHBondContact O-OG1 2.8Å; P43-Q110 HydrophobicContact CG-CG 3.93Å; P43-L113 HydrophobicContact CG-CB 4.44Å; P43-D114 HydrophobicContact CG-CB 4.37Å
44	D	95	Very high	97	Very high	127 Å²	127	40.8 Å²	40.8	68%	0.679	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	151.8	173.3	-57.5	-22.1	0	0	0	110.9	T46	D44-T46 PolarHBondContact O-N 3.05Å; D44-T46 VanDerWaalsContact O-N 3.11Å
45	D	94.4	Very high	97	Very high	160 Å²	160	40 Å²	40	86%	0.856	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	17.3	-179.5	-62.5	-50.4	0	0	0	115
46	T	95.9	Very high	97	Very high	14 Å²	14	43 Å²	43	9%	0.086	22%	0.223	C	C	.	.	S	Bend	trans	-113.2	167.8	174.8	77.2	0	0	0	0	112.5	P43 D44 F48 E49 D114 R142	P43-T46 HydrophobicContact CB-CG2 3.83Å; P43-T46 HydrophobicContact CG-CG2 4.37Å; P43-T46 WeakPolarHBondContact O-CB 3.02Å; P43-T46 PolarHBondContact O-N 2.73Å; P43-T46 PolarHBondContact O-OG1 2.8Å; D44-T46 PolarHBondContact O-N 3.05Å; D44-T46 VanDerWaalsContact O-N 3.11Å; T46-F48 PolarHBondContact O-N 2.69Å; T46-F48 PolarHBondContact OG1-N 3.2Å; T46-F48 VanDerWaalsContact OG1-N 3.12Å; T46-E49 VanDerWaalsContact O-CB 3.3Å; T46-E49 WeakPolarHBondContact O-CB 3.48Å; T46-E49 PolarHBondContact O-N 3.15Å; T46-E49 PolarHBondContact OG1-N 2.78Å; T46-D114 HydrophobicContact CG2-CB 3.94Å; T46-D114 VanDerWaalsContact CG2-OD1 3.27Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.45Å; T46-R142 PolarHBondContact O-NH2 3.13Å
47	A	96.8	Very high	97	Very high	17 Å²	17	43 Å²	43	14%	0.14	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.8	171.5	0	0	0	0	0	112.9	E138 V141 R142	A47-E138 HydrophobicContact CB-CB 4.44Å; A47-E138 HydrophobicContact CB-CG 3.94Å; A47-V141 HydrophobicContact CB-CB 4Å; A47-V141 HydrophobicContact CB-CG1 3.78Å; A47-V141 HydrophobicContact CB-CG2 4.4Å; A47-V141 VanDerWaalsContact O-CG1 3.28Å; A47-V141 WeakPolarHBondContact O-CG1 3.39Å; A47-R142 WeakPolarHBondContact O-CD 3.43Å; A47-R142 PolarHBondContact O-NE 3.19Å
48	F	98	Very high	97.1	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.8	-177.9	-68.5	-84.3	0	0	0	113.5	G42 T46 G51 F53 M76 H78 L113 V141	G42-F48 WeakPolarHBondContact CA-O 3.17Å; T46-F48 PolarHBondContact O-N 2.69Å; T46-F48 PolarHBondContact OG1-N 3.2Å; T46-F48 VanDerWaalsContact OG1-N 3.12Å; F48-G51 WeakPolarHBondContact O-CA 3.42Å; F48-G51 PolarHBondContact O-N 2.88Å; F48-F53 HydrophobicContact CB-CE2 4.05Å; F48-F53 HydrophobicContact CB-CZ 4.45Å; F48-F53 AromaticContact CD1-CE2 3.8Å; F48-F53 HydrophobicContact CD1-CE2 3.8Å; F48-F53 AromaticContact CD1-CZ 3.66Å; F48-F53 HydrophobicContact CD1-CZ 3.66Å; F48-F53 HydrophobicContact CG-CE2 4.4Å; F48-M76 HydrophobicContact CD1-CE 4.36Å; F48-M76 HydrophobicContact CE1-CE 3.91Å; F48-H78 AromaticContact CE2-CD2 3.83Å; F48-H78 HydrophobicContact CZ-CB 4.15Å; F48-H78 AromaticContact CZ-CD2 3.63Å; F48-L113 HydrophobicContact CD1-CD2 4.26Å; F48-L113 HydrophobicContact CD2-CB 4.02Å; F48-L113 WeakPolarHBondContact CD2-O 3.43Å; F48-L113 HydrophobicContact CE1-CD2 4.13Å; F48-L113 HydrophobicContact CE2-CB 4.41Å; F48-L113 HydrophobicContact CE2-CD2 4.46Å; F48-L113 WeakPolarHBondContact CE2-O 3.44Å; F48-L113 HydrophobicContact CG-CB 4.26Å; F48-L113 HydrophobicContact CZ-CD2 4.26Å; F48-V141 HydrophobicContact CD1-CG1 3.49Å; F48-V141 VanDerWaalsContact CD1-CG1 3.49Å; F48-V141 HydrophobicContact CD2-CG1 3.98Å; F48-V141 HydrophobicContact CE1-CG1 3.46Å; F48-V141 VanDerWaalsContact CE1-CG1 3.46Å; F48-V141 HydrophobicContact CE1-CG2 4.36Å; F48-V141 HydrophobicContact CE2-CG1 3.95Å; F48-V141 HydrophobicContact CE2-CG2 4.34Å; F48-V141 HydrophobicContact CG-CG1 3.74Å; F48-V141 HydrophobicContact CZ-CB 4.49Å; F48-V141 HydrophobicContact CZ-CG1 3.67Å; F48-V141 HydrophobicContact CZ-CG2 3.92Å
49	E	97.2	Very high	97.1	Very high	56 Å²	56	40.8 Å²	40.8	26%	0.262	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	140.1	178.7	-176.9	-179.5	-150.8	0	0	112	T46 G51 R142	T46-E49 VanDerWaalsContact O-CB 3.3Å; T46-E49 WeakPolarHBondContact O-CB 3.48Å; T46-E49 PolarHBondContact O-N 3.15Å; T46-E49 PolarHBondContact OG1-N 2.78Å; E49-G51 PolarHBondContact O-N 2.84Å; E49-G51 VanDerWaalsContact O-N 3.14Å; E49-R142 PolarHBondContact O-NH1 3.33Å; E49-R142 IonicContact OE2-NH2 3.72Å
50	D	96.2	Very high	97.2	Very high	109 Å²	109	42.4 Å²	42.4	58%	0.583	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	-1.5	-172.7	-57.1	-46.5	0	0	0	116	W149	D50-W149 HydrophobicContact CB-CZ2 4.39Å; D50-W149 PolarHBondContact O-NE1 3.01Å
51	G	97.4	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.			trans	-70.3	142.5	172.9	0	0	0	0	0	112.2	F41 G42 F48 E49	F41-G51 CarbonylContact C-O 3.58Å; F41-G51 VanDerWaalsContact CA-O 3.26Å; F41-G51 WeakPolarHBondContact CA-O 3.41Å; G42-G51 PolarHBondContact N-O 2.76Å; F48-G51 WeakPolarHBondContact O-CA 3.42Å; F48-G51 PolarHBondContact O-N 2.88Å; E49-G51 PolarHBondContact O-N 2.84Å; E49-G51 VanDerWaalsContact O-N 3.14Å
52	T	97.1	Very high	97.3	Very high	38 Å²	38	46.3 Å²	46.3	23%	0.233	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	86.3	177.2	-56.2	0	0	0	0	109.5	V39 F41 S148	V39-T52 HydrophobicContact CG1-CG2 3.55Å; F41-T52 HydrophobicContact CD1-CG2 4.27Å; F41-T52 HydrophobicContact CE1-CG2 3.78Å; F41-T52 WeakPolarHBondContact CE1-OG1 3.48Å; F41-T52 HydrophobicContact CZ-CG2 4.44Å; T52-S148 PolarHBondContact N-OG 2.79Å; T52-S148 WeakPolarHBondContact O-CB 3.19Å
53	F	97.8	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.5	-170.5	-54.6	-70.5	0	0	0	111.6	V39 I40 F48 L55 F72 M76 L113 V145	V39-F53 WeakPolarHBondContact CA-O 3.42Å; I40-F53 PolarHBondContact N-O 2.9Å; I40-F53 PolarHBondContact O-N 2.67Å; F48-F53 HydrophobicContact CB-CE2 4.05Å; F48-F53 HydrophobicContact CB-CZ 4.45Å; F48-F53 AromaticContact CD1-CE2 3.8Å; F48-F53 HydrophobicContact CD1-CE2 3.8Å; F48-F53 AromaticContact CD1-CZ 3.66Å; F48-F53 HydrophobicContact CD1-CZ 3.66Å; F48-F53 HydrophobicContact CG-CE2 4.4Å; F53-L55 VanDerWaalsContact O-CD1 3.31Å; F53-L55 WeakPolarHBondContact O-CD1 3.26Å; F53-F72 HydrophobicContact CB-CD1 3.98Å; F53-F72 HydrophobicContact CB-CE1 3.74Å; F53-M76 HydrophobicContact CB-SD 4.18Å; F53-M76 HydrophobicContact CD1-CE 3.98Å; F53-M76 HydrophobicContact CD1-SD 3.27Å; F53-M76 WeakPolarHBondContact CD1-SD 3.31Å; F53-M76 HydrophobicContact CD2-CE 4.48Å; F53-M76 HydrophobicContact CE1-CE 4.24Å; F53-M76 HydrophobicContact CE1-SD 3.78Å; F53-M76 HydrophobicContact CG-CE 4.1Å; F53-M76 HydrophobicContact CG-SD 3.8Å; F53-L113 HydrophobicContact CD2-CD1 4.2Å; F53-L113 HydrophobicContact CE2-CD1 4.5Å; F53-V145 HydrophobicContact CZ-CG2 3.9Å
54	K	97.8	Very high	97.4	Very high	32 Å²	32	46.3 Å²	46.3	14%	0.139	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.4	178.2	-57.9	-177.6	-169.9	-172.4	0	110.7	A38 V39 F72 T73 S74 E151 E152 D153	A38-K54 CarbonylContact O-C 3.55Å; A38-K54 WeakPolarHBondContact O-CA 3.36Å; V39-K54 HydrophobicContact CG2-CG 4.42Å; K54-F72 WeakPolarHBondContact O-CA 3.38Å; K54-T73 WeakPolarHBondContact CB-OG1 3.44Å; K54-T73 PolarHBondContact O-N 2.73Å; K54-T73 PolarHBondContact O-OG1 2.82Å; K54-S74 WeakPolarHBondContact CB-OG 3.49Å; K54-S74 PolarHBondContact N-OG 3.21Å; K54-S74 PolarHBondContact O-N 3.44Å; K54-E151 WeakPolarHBondContact CE-O 3.27Å; K54-E151 PolarHBondContact NZ-O 2.88Å; K54-E152 VanDerWaalsContact NZ-C 3.34Å; K54-E152 PolarHBondContact NZ-O 2.9Å; K54-D153 WeakPolarHBondContact CE-OD1 3.4Å; K54-D153 IonicContact NZ-OD1 2.79Å; K54-D153 PolarHBondContact NZ-OD1 3.16Å
55	L	98.3	Very high	97.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.6	178.1	-54.8	94.2	0	0	0	110.7	N37 A38 I40 F53 L57 V70 V71 F72 I87 I109	N37-L55 WeakPolarHBondContact CA-O 3.4Å; A38-L55 HydrophobicContact CB-CB 4.33Å; A38-L55 PolarHBondContact N-O 2.52Å; A38-L55 PolarHBondContact O-N 2.79Å; I40-L55 HydrophobicContact CB-CD1 4.03Å; I40-L55 HydrophobicContact CD1-CD1 3.8Å; I40-L55 HydrophobicContact CD1-CD2 4.15Å; I40-L55 HydrophobicContact CG1-CD1 3.71Å; F53-L55 VanDerWaalsContact O-CD1 3.31Å; F53-L55 WeakPolarHBondContact O-CD1 3.26Å; L55-L57 HydrophobicContact CB-CD1 4.45Å; L55-V70 HydrophobicContact CD2-CG1 4.05Å; L55-V71 CarbonylContact C-O 3.57Å; L55-V71 WeakPolarHBondContact CA-O 3.36Å; L55-V71 WeakPolarHBondContact CB-O 3.47Å; L55-F72 HydrophobicContact CD1-CD1 4.21Å; L55-F72 HydrophobicContact CD1-CE1 3.95Å; L55-F72 HydrophobicContact CD2-CD1 3.88Å; L55-F72 HydrophobicContact CD2-CD2 4.42Å; L55-F72 HydrophobicContact CD2-CE1 3.67Å; L55-F72 HydrophobicContact CD2-CE2 4.24Å; L55-F72 HydrophobicContact CD2-CG 4.26Å; L55-F72 HydrophobicContact CD2-CZ 3.86Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.73Å; L55-F72 HydrophobicContact CG-CG 4.27Å; L55-F72 HydrophobicContact CG-CZ 4.43Å; L55-I87 HydrophobicContact CD2-CD1 4.07Å; L55-I109 HydrophobicContact CD2-CD1 4.13Å; L55-I109 HydrophobicContact CD2-CG2 4.04Å
56	R	98.1	Very high	97.7	Very high	99 Å²	99	44 Å²	44	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.5	168.7	177.5	175.6	167.3	164.7	1	110	I35 W36 D58 V70 V71 T73	I35-R56 HydrophobicContact CG2-CG 4.29Å; W36-R56 WeakPolarHBondContact O-CA 3.38Å; R56-D58 IonicContact CZ-OD1 3.64Å; R56-D58 VanDerWaalsContact CZ-OD1 3.25Å; R56-D58 IonicContact NE-OD1 2.7Å; R56-D58 PolarHBondContact NE-OD1 3.18Å; R56-D58 IonicContact NE-OD2 2.71Å; R56-D58 PolarHBondContact NE-OD2 2.87Å; R56-D58 IonicContact NH2-OD1 2.74Å; R56-D58 PolarHBondContact NH2-OD1 3.33Å; R56-V70 WeakPolarHBondContact O-CA 3.33Å; R56-V71 HydrophobicContact CB-CG2 4.05Å; R56-V71 PolarHBondContact N-O 2.99Å; R56-V71 PolarHBondContact O-N 3.36Å; R56-T73 HydrophobicContact CB-CG2 3.8Å
57	L	98.7	Very high	97.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.5	173.4	-61.2	76.8	0	0	0	108.9	I35 W36 A38 L55 F59 R69 V70 V102 I105 L106	I35-L57 WeakPolarHBondContact CA-O 3.37Å; W36-L57 HydrophobicContact CB-CB 4.24Å; W36-L57 PolarHBondContact N-O 3.4Å; W36-L57 PolarHBondContact O-N 2.9Å; A38-L57 HydrophobicContact CB-CD1 3.77Å; L55-L57 HydrophobicContact CB-CD1 4.45Å; L57-F59 HydrophobicContact CB-CD2 4.45Å; L57-F59 HydrophobicContact CB-CE2 3.64Å; L57-F59 HydrophobicContact CB-CZ 3.96Å; L57-F59 HydrophobicContact CD2-CE2 4.35Å; L57-F59 HydrophobicContact CD2-CZ 3.88Å; L57-R69 CarbonylContact C-O 3.59Å; L57-R69 WeakPolarHBondContact CA-O 3.33Å; L57-V70 HydrophobicContact CD1-CG1 4.41Å; L57-V70 HydrophobicContact CD2-CG2 4.23Å; L57-V70 HydrophobicContact CG-CG1 4.05Å; L57-V70 HydrophobicContact CG-CG2 3.96Å; L57-V102 HydrophobicContact CD2-CG1 4.23Å; L57-I105 HydrophobicContact CD2-CG2 4.4Å; L57-L106 HydrophobicContact CD1-CD2 4.32Å
58	D	98.6	Very high	97.9	Very high	30 Å²	30	44.4 Å²	44.4	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.1	175.2	-61	-73.5	0	0	0	109.4	R56 P68 R69	R56-D58 IonicContact CZ-OD1 3.64Å; R56-D58 VanDerWaalsContact CZ-OD1 3.25Å; R56-D58 IonicContact NE-OD1 2.7Å; R56-D58 PolarHBondContact NE-OD1 3.18Å; R56-D58 IonicContact NE-OD2 2.71Å; R56-D58 PolarHBondContact NE-OD2 2.87Å; R56-D58 IonicContact NH2-OD1 2.74Å; R56-D58 PolarHBondContact NH2-OD1 3.33Å; D58-P68 WeakPolarHBondContact O-CA 3.33Å; D58-P68 WeakPolarHBondContact O-CB 3.47Å; D58-R69 HydrophobicContact CB-CB 4.37Å; D58-R69 PolarHBondContact N-O 2.84Å; D58-R69 PolarHBondContact O-N 2.83Å; D58-R69 IonicContact OD2-NH1 3.45Å
59	F	98.6	Very high	98	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.061	25%	0.248	C	C	.	.			trans	-94.2	157.8	177.4	-59.3	-92.3	0	0	0	111	L9 M34 W36 L57 Y63 P68 V102	L9-F59 HydrophobicContact CD1-CB 4.06Å; L9-F59 HydrophobicContact CD1-CD1 4.44Å; L9-F59 HydrophobicContact CD1-CD2 4.36Å; L9-F59 HydrophobicContact CD1-CG 4.03Å; L9-F59 HydrophobicContact CD2-CD1 3.56Å; L9-F59 HydrophobicContact CD2-CD2 3.99Å; L9-F59 HydrophobicContact CD2-CE1 3.55Å; L9-F59 HydrophobicContact CD2-CE2 4Å; L9-F59 HydrophobicContact CD2-CG 3.81Å; L9-F59 HydrophobicContact CD2-CZ 3.79Å; M34-F59 HydrophobicContact CB-CB 4.44Å; M34-F59 WeakPolarHBondContact O-CB 3.06Å; M34-F59 WeakPolarHBondContact O-CD2 3.48Å; M34-F59 PolarHBondContact O-N 3.32Å; M34-F59 HydrophobicContact SD-CB 4.33Å; W36-F59 HydrophobicContact CB-CE2 4.16Å; W36-F59 AromaticContact CD1-CD2 3.84Å; W36-F59 AromaticContact CD1-CE2 3.47Å; W36-F59 VanDerWaalsContact CD1-CE2 3.47Å; W36-F59 HydrophobicContact CD2-CE2 4.32Å; W36-F59 AromaticContact CG-CE2 3.75Å; W36-F59 HydrophobicContact CG-CE2 3.75Å; W36-F59 AromaticContact NE1-CE2 3.92Å; L57-F59 HydrophobicContact CB-CD2 4.45Å; L57-F59 HydrophobicContact CB-CE2 3.64Å; L57-F59 HydrophobicContact CB-CZ 3.96Å; L57-F59 HydrophobicContact CD2-CE2 4.35Å; L57-F59 HydrophobicContact CD2-CZ 3.88Å; F59-Y63 HydrophobicContact CD1-CD1 4.08Å; F59-Y63 AromaticContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CE1 4.27Å; F59-Y63 AromaticContact CD1-CE2 3.98Å; F59-Y63 HydrophobicContact CD1-CE2 3.98Å; F59-Y63 AromaticContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CE1-CD2 4.1Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.87Å; F59-Y63 HydrophobicContact CE1-CE2 3.87Å; F59-Y63 HydrophobicContact CE1-CG 4.45Å; F59-Y63 AromaticContact CE1-CZ 3.96Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.06Å; F59-P68 HydrophobicContact CE1-CB 3.56Å; F59-P68 HydrophobicContact CE1-CG 3.6Å; F59-P68 HydrophobicContact CE2-CB 4.49Å; F59-P68 HydrophobicContact CG-CB 4.07Å; F59-P68 HydrophobicContact CZ-CB 4.03Å; F59-P68 HydrophobicContact CZ-CG 4.12Å; F59-V102 HydrophobicContact CE1-CG2 4.25Å; F59-V102 HydrophobicContact CZ-CG2 3.75Å
60	T	98.1	Very high	98	Very high	71 Å²	71	48.4 Å²	48.4	44%	0.436	24%	0.238	S	C	.	.			trans	-121.2	170.5	171	72.1	0	0	0	0	110.1	D62 Y63	T60-D62 PolarHBondContact O-N 3.08Å; T60-D62 VanDerWaalsContact O-N 3.09Å; T60-D62 PolarHBondContact OG1-N 2.95Å; T60-Y63 WeakPolarHBondContact O-CB 3.26Å; T60-Y63 PolarHBondContact O-N 3.09Å
61	E	97.9	Very high	98.1	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13	174.9	-66.2	-65.6	171.5	0	0	113.6	T3 M34 Y63	T3-E61 WeakPolarHBondContact CB-OE2 3.48Å; T3-E61 WeakPolarHBondContact CG2-OE2 3.38Å; T3-E61 PolarHBondContact OG1-OE2 3.02Å; M34-E61 HydrophobicContact CE-CG 4.13Å; M34-E61 WeakPolarHBondContact CE-OE1 3.33Å; M34-E61 VanDerWaalsContact CE-OE2 3.3Å; M34-E61 WeakPolarHBondContact CE-OE2 3.36Å; E61-Y63 VanDerWaalsContact C-N 3.26Å; E61-Y63 PolarHBondContact O-N 3.48Å
62	D	97.9	Very high	98.2	Very high	71 Å²	71	44.1 Å²	44.1	38%	0.38	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.4	173.8	-70.8	-35.6	0	0	0	112.6	T60 N65 K66	T60-D62 PolarHBondContact O-N 3.08Å; T60-D62 VanDerWaalsContact O-N 3.09Å; T60-D62 PolarHBondContact OG1-N 2.95Å; D62-N65 WeakPolarHBondContact O-CA 3.15Å; D62-N65 VanDerWaalsContact O-CB 3.26Å; D62-N65 WeakPolarHBondContact O-CB 3.47Å; D62-N65 PolarHBondContact O-N 3.08Å; D62-K66 HydrophobicContact CB-CB 3.99Å; D62-K66 HydrophobicContact CB-CD 3.85Å; D62-K66 HydrophobicContact CB-CG 3.93Å; D62-K66 PolarHBondContact O-N 3.28Å; D62-K66 WeakPolarHBondContact OD2-CD 3.31Å; D62-K66 WeakPolarHBondContact OD2-CE 3.35Å; D62-K66 IonicContact OD2-NZ 3.99Å; D62-K66 PolarHBondContact OD2-NZ 3.38Å
63	Y	98.5	Very high	98.2	Very high	5 Å²	5	46 Å²	46	2%	0.02	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	130.6	177.9	-173.6	-108.6	0	0	0	111.2	A5 R8 L9 D12 F59 T60 E61 W96	A5-Y63 WeakPolarHBondContact CA-O 3.33Å; A5-Y63 VanDerWaalsContact CB-O 3.32Å; A5-Y63 WeakPolarHBondContact CB-O 3.49Å; R8-Y63 HydrophobicContact CB-CD1 4.39Å; R8-Y63 HydrophobicContact CB-CE1 4.44Å; R8-Y63 HydrophobicContact CG-CD1 3.75Å; R8-Y63 HydrophobicContact CG-CE1 3.44Å; R8-Y63 VanDerWaalsContact CG-CE1 3.44Å; L9-Y63 HydrophobicContact CD1-CD1 4.43Å; L9-Y63 HydrophobicContact CD2-CD1 3.7Å; L9-Y63 HydrophobicContact CD2-CE1 3.46Å; L9-Y63 VanDerWaalsContact CD2-CE1 3.46Å; L9-Y63 HydrophobicContact CG-CD1 3.78Å; L9-Y63 HydrophobicContact CG-CE1 3.92Å; D12-Y63 WeakPolarHBondContact OD2-CE1 3.38Å; D12-Y63 PolarHBondContact OD2-OH 3.25Å; F59-Y63 HydrophobicContact CD1-CD1 4.08Å; F59-Y63 AromaticContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CD2 3.71Å; F59-Y63 HydrophobicContact CD1-CE1 4.27Å; F59-Y63 AromaticContact CD1-CE2 3.98Å; F59-Y63 HydrophobicContact CD1-CE2 3.98Å; F59-Y63 AromaticContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CD1-CG 3.8Å; F59-Y63 HydrophobicContact CE1-CD2 4.1Å; F59-Y63 HydrophobicContact CE1-CE1 4.26Å; F59-Y63 AromaticContact CE1-CE2 3.87Å; F59-Y63 HydrophobicContact CE1-CE2 3.87Å; F59-Y63 HydrophobicContact CE1-CG 4.45Å; F59-Y63 AromaticContact CE1-CZ 3.96Å; T60-Y63 WeakPolarHBondContact O-CB 3.26Å; T60-Y63 PolarHBondContact O-N 3.09Å; E61-Y63 VanDerWaalsContact C-N 3.26Å; E61-Y63 PolarHBondContact O-N 3.48Å; Y63-W96 HydrophobicContact CD2-CZ2 4.23Å; Y63-W96 AromaticContact CE2-CH2 3.77Å; Y63-W96 HydrophobicContact CE2-CH2 3.77Å; Y63-W96 AromaticContact CE2-CZ2 3.78Å; Y63-W96 HydrophobicContact CE2-CZ2 3.78Å
64	P	98	Very high	98.2	Very high	25 Å²	25	46.3 Å²	46.3	16%	0.162	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.2	9.5	11.4	40.9	-40.3	0	0	0	115.4	R8 K66 W96 P98	R8-P64 HydrophobicContact CG-CB 4.39Å; R8-P64 HydrophobicContact CG-CG 4.37Å; R8-P64 VanDerWaalsContact NH1-CG 3.27Å; P64-K66 VanDerWaalsContact C-N 3.27Å; P64-K66 PolarHBondContact O-N 3Å; P64-W96 HydrophobicContact CB-CZ2 4.49Å; P64-W96 WeakPolarHBondContact O-CZ2 3.32Å; P64-W96 PolarHBondContact O-NE1 2.98Å; P64-P98 HydrophobicContact CB-CB 4.15Å; P64-P98 HydrophobicContact CG-CB 4.04Å; P64-P98 VanDerWaalsContact O-CA 3.31Å; P64-P98 WeakPolarHBondContact O-CA 3.32Å; P64-P98 WeakPolarHBondContact O-CB 3.15Å
65	N	98	Very high	98.1	Very high	122 Å²	122	50 Å²	50	65%	0.652	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-29.6	180	-59.7	-40.2	0	0	0	112.3	D62 W96	D62-N65 WeakPolarHBondContact O-CA 3.15Å; D62-N65 VanDerWaalsContact O-CB 3.26Å; D62-N65 WeakPolarHBondContact O-CB 3.47Å; D62-N65 PolarHBondContact O-N 3.08Å; N65-W96 PolarHBondContact O-NE1 2.85Å
66	K	97.9	Very high	98.1	Very high	115 Å²	115	51.2 Å²	51.2	50%	0.5	25%	0.251	S	S	.	.	S	Bend	trans	-114.2	146	168.9	-68.4	-176.2	-173.9	157.3	0	110.9	D62 P64	D62-K66 HydrophobicContact CB-CB 3.99Å; D62-K66 HydrophobicContact CB-CD 3.85Å; D62-K66 HydrophobicContact CB-CG 3.93Å; D62-K66 PolarHBondContact O-N 3.28Å; D62-K66 WeakPolarHBondContact OD2-CD 3.31Å; D62-K66 WeakPolarHBondContact OD2-CE 3.35Å; D62-K66 IonicContact OD2-NZ 3.99Å; D62-K66 PolarHBondContact OD2-NZ 3.38Å; P64-K66 VanDerWaalsContact C-N 3.27Å; P64-K66 PolarHBondContact O-N 3Å
67	P	98.3	Very high	98.1	Very high	36 Å²	36	47.6 Å²	47.6	23%	0.234	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-66.2	155.2	174.3	27.9	-32.1	0	0	0	110.6	L92 W96	P67-L92 WeakPolarHBondContact CG-O 3.14Å; P67-W96 HydrophobicContact CB-CB 4.36Å; P67-W96 HydrophobicContact CB-CD2 3.54Å; P67-W96 HydrophobicContact CB-CE3 3.66Å; P67-W96 HydrophobicContact CB-CG 3.86Å; P67-W96 HydrophobicContact CB-CZ3 4.17Å; P67-W96 HydrophobicContact CG-CB 4.2Å; P67-W96 HydrophobicContact CG-CD2 4.22Å; P67-W96 HydrophobicContact CG-CG 3.99Å
68	P	98.5	Very high	98.1	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.032	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-66.8	157.7	163.7	29.4	-32.8	0	0	0	111	D58 F59 V70 I105	D58-P68 WeakPolarHBondContact O-CA 3.33Å; D58-P68 WeakPolarHBondContact O-CB 3.47Å; F59-P68 HydrophobicContact CD1-CB 3.57Å; F59-P68 HydrophobicContact CD1-CG 4.06Å; F59-P68 HydrophobicContact CE1-CB 3.56Å; F59-P68 HydrophobicContact CE1-CG 3.6Å; F59-P68 HydrophobicContact CE2-CB 4.49Å; F59-P68 HydrophobicContact CG-CB 4.07Å; F59-P68 HydrophobicContact CZ-CB 4.03Å; F59-P68 HydrophobicContact CZ-CG 4.12Å; P68-V70 HydrophobicContact CB-CG2 4.47Å; P68-V70 HydrophobicContact CG-CG2 4.06Å; P68-I105 HydrophobicContact CG-CD1 3.68Å
69	R	98.4	Very high	98.1	Very high	133 Å²	133	46.2 Å²	46.2	50%	0.502	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.8	160.7	177.5	177.9	179	-92.9	0.1	107.9	L57 D58 V71	L57-R69 CarbonylContact C-O 3.59Å; L57-R69 WeakPolarHBondContact CA-O 3.33Å; D58-R69 HydrophobicContact CB-CB 4.37Å; D58-R69 PolarHBondContact N-O 2.84Å; D58-R69 PolarHBondContact O-N 2.83Å; D58-R69 IonicContact OD2-NH1 3.45Å; R69-V71 VanDerWaalsContact CZ-CG1 3.49Å
70	V	98.6	Very high	98	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.6	177.6	-169.7	0	0	0	0	109.6	L55 R56 L57 P68 I87 L92 I105 I109	L55-V70 HydrophobicContact CD2-CG1 4.05Å; R56-V70 WeakPolarHBondContact O-CA 3.33Å; L57-V70 HydrophobicContact CD1-CG1 4.41Å; L57-V70 HydrophobicContact CD2-CG2 4.23Å; L57-V70 HydrophobicContact CG-CG1 4.05Å; L57-V70 HydrophobicContact CG-CG2 3.96Å; P68-V70 HydrophobicContact CB-CG2 4.47Å; P68-V70 HydrophobicContact CG-CG2 4.06Å; V70-I87 HydrophobicContact CB-CD1 4.43Å; V70-I87 HydrophobicContact CG1-CD1 3.92Å; V70-L92 HydrophobicContact CB-CD1 4Å; V70-L92 HydrophobicContact CG2-CD1 4Å; V70-L92 HydrophobicContact CG2-CD2 3.89Å; V70-I105 HydrophobicContact CG2-CG2 4.16Å; V70-I109 HydrophobicContact CG1-CD1 3.78Å
71	V	98.5	Very high	98	Very high	12 Å²	12	42.5 Å²	42.5	7%	0.073	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.1	174.3	-61.5	0	0	0	0	110.4	L55 R56 R69 G85	L55-V71 CarbonylContact C-O 3.57Å; L55-V71 WeakPolarHBondContact CA-O 3.36Å; L55-V71 WeakPolarHBondContact CB-O 3.47Å; R56-V71 HydrophobicContact CB-CG2 4.05Å; R56-V71 PolarHBondContact N-O 2.99Å; R56-V71 PolarHBondContact O-N 3.36Å; R69-V71 VanDerWaalsContact CZ-CG1 3.49Å; V71-G85 CarbonylContact C-O 3.58Å; V71-G85 VanDerWaalsContact CA-O 3.32Å; V71-G85 WeakPolarHBondContact CA-O 3.42Å
72	F	98.3	Very high	98	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.035	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.8	158.8	-75.7	-81.3	0	0	0	108.8	F53 K54 L55 M76 V81 G85 I87 I109 L113	F53-F72 HydrophobicContact CB-CD1 3.98Å; F53-F72 HydrophobicContact CB-CE1 3.74Å; K54-F72 WeakPolarHBondContact O-CA 3.38Å; L55-F72 HydrophobicContact CD1-CD1 4.21Å; L55-F72 HydrophobicContact CD1-CE1 3.95Å; L55-F72 HydrophobicContact CD2-CD1 3.88Å; L55-F72 HydrophobicContact CD2-CD2 4.42Å; L55-F72 HydrophobicContact CD2-CE1 3.67Å; L55-F72 HydrophobicContact CD2-CE2 4.24Å; L55-F72 HydrophobicContact CD2-CG 4.26Å; L55-F72 HydrophobicContact CD2-CZ 3.86Å; L55-F72 HydrophobicContact CG-CD1 3.64Å; L55-F72 HydrophobicContact CG-CE1 3.73Å; L55-F72 HydrophobicContact CG-CG 4.27Å; L55-F72 HydrophobicContact CG-CZ 4.43Å; F72-M76 HydrophobicContact CB-CG 3.54Å; F72-M76 HydrophobicContact CD1-CE 4.18Å; F72-M76 HydrophobicContact CD1-CG 3.76Å; F72-M76 HydrophobicContact CD1-SD 3.74Å; F72-M76 HydrophobicContact CD2-CG 3.75Å; F72-M76 HydrophobicContact CE1-CE 3.88Å; F72-M76 HydrophobicContact CE1-CG 4.39Å; F72-M76 HydrophobicContact CE1-SD 4.01Å; F72-M76 HydrophobicContact CE2-CE 4.26Å; F72-M76 HydrophobicContact CE2-CG 4.37Å; F72-M76 HydrophobicContact CG-CG 3.4Å; F72-M76 VanDerWaalsContact CG-CG 3.4Å; F72-M76 HydrophobicContact CG-SD 4.04Å; F72-M76 HydrophobicContact CZ-CE 3.91Å; F72-V81 HydrophobicContact CD2-CG1 3.93Å; F72-V81 HydrophobicContact CD2-CG2 3.89Å; F72-V81 HydrophobicContact CE2-CG2 3.74Å; F72-G85 PolarHBondContact N-O 3.2Å; F72-I87 HydrophobicContact CD2-CD1 3.74Å; F72-I87 HydrophobicContact CD2-CG1 3.78Å; F72-I87 HydrophobicContact CE2-CD1 3.52Å; F72-I87 HydrophobicContact CE2-CG1 3.84Å; F72-I87 HydrophobicContact CZ-CD1 4.37Å; F72-I109 HydrophobicContact CE2-CG2 4.03Å; F72-I109 HydrophobicContact CZ-CG2 3.61Å; F72-L113 HydrophobicContact CZ-CD2 4.34Å
73	T	97.3	Very high	97.9	Very high	78 Å²	78	45 Å²	45	48%	0.479	23%	0.234	S	C	.	.	S	Bend	trans	-88.2	-25.9	167.3	54.6	0	0	0	0	110.6	K54 R56	K54-T73 WeakPolarHBondContact CB-OG1 3.44Å; K54-T73 PolarHBondContact O-N 2.73Å; K54-T73 PolarHBondContact O-OG1 2.82Å; R56-T73 HydrophobicContact CB-CG2 3.8Å
74	S	96.9	Very high	97.9	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.035	26%	0.259	C	S	.	.	S	Bend	trans	-71.7	149.9	167.8	-60.2	0	0	0	0	112	K54 M76 E151	K54-S74 WeakPolarHBondContact CB-OG 3.49Å; K54-S74 PolarHBondContact N-OG 3.21Å; K54-S74 PolarHBondContact O-N 3.44Å; S74-M76 PolarHBondContact O-N 2.97Å; S74-E151 WeakPolarHBondContact CA-OE1 3.33Å; S74-E151 WeakPolarHBondContact CA-OE2 3.35Å; S74-E151 WeakPolarHBondContact CB-OE2 3.32Å; S74-E151 PolarHBondContact OG-OE2 3.31Å
75	K	96.7	Very high	97.9	Very high	111 Å²	111	48.8 Å²	48.8	48%	0.483	26%	0.255	S	S	.	.			trans	-67.1	127.7	173.5	-173.5	-175	-179.4	-176.4	0	111.1	E147 E151	K75-E147 VanDerWaalsContact CD-CD 3.44Å; K75-E147 VanDerWaalsContact CD-OE1 3.23Å; K75-E147 WeakPolarHBondContact CD-OE1 3.41Å; K75-E147 WeakPolarHBondContact CD-OE2 3.48Å; K75-E147 IonicContact NZ-OE1 3.61Å; K75-E147 PolarHBondContact NZ-OE1 3.27Å; K75-E147 VanDerWaalsContact NZ-OE1 3.15Å; K75-E147 IonicContact NZ-OE2 3.15Å; K75-E147 PolarHBondContact NZ-OE2 3.18Å; K75-E151 PolarHBondContact N-OE1 2.81Å
76	M	97.9	Very high	97.8	Very high	25 Å²	25	44.3 Å²	44.3	12%	0.123	23%	0.233	C	C	.	.			trans	-119	144.9	-178.4	-63.2	-56.2	-72.9	0	0	112.8	F48 F53 F72 S74 V81 L113	F48-M76 HydrophobicContact CD1-CE 4.36Å; F48-M76 HydrophobicContact CE1-CE 3.91Å; F53-M76 HydrophobicContact CB-SD 4.18Å; F53-M76 HydrophobicContact CD1-CE 3.98Å; F53-M76 HydrophobicContact CD1-SD 3.27Å; F53-M76 WeakPolarHBondContact CD1-SD 3.31Å; F53-M76 HydrophobicContact CD2-CE 4.48Å; F53-M76 HydrophobicContact CE1-CE 4.24Å; F53-M76 HydrophobicContact CE1-SD 3.78Å; F53-M76 HydrophobicContact CG-CE 4.1Å; F53-M76 HydrophobicContact CG-SD 3.8Å; F72-M76 HydrophobicContact CB-CG 3.54Å; F72-M76 HydrophobicContact CD1-CE 4.18Å; F72-M76 HydrophobicContact CD1-CG 3.76Å; F72-M76 HydrophobicContact CD1-SD 3.74Å; F72-M76 HydrophobicContact CD2-CG 3.75Å; F72-M76 HydrophobicContact CE1-CE 3.88Å; F72-M76 HydrophobicContact CE1-CG 4.39Å; F72-M76 HydrophobicContact CE1-SD 4.01Å; F72-M76 HydrophobicContact CE2-CE 4.26Å; F72-M76 HydrophobicContact CE2-CG 4.37Å; F72-M76 HydrophobicContact CG-CG 3.4Å; F72-M76 VanDerWaalsContact CG-CG 3.4Å; F72-M76 HydrophobicContact CG-SD 4.04Å; F72-M76 HydrophobicContact CZ-CE 3.91Å; S74-M76 PolarHBondContact O-N 2.97Å; M76-V81 HydrophobicContact CB-CB 4.24Å; M76-V81 HydrophobicContact CB-CG1 3.77Å; M76-V81 HydrophobicContact CG-CG1 4.17Å; M76-L113 HydrophobicContact CE-CD2 3.71Å
77	F	98.2	Very high	97.8	Very high	23 Å²	23	39.7 Å²	39.7	10%	0.101	21%	0.214	C	C	.	.			trans	-124.1	88.8	165.2	-168	-102.8	0	0	0	109.5	M125 A126 L129 Y137 R140 V141	F77-M125 HydrophobicContact CZ-CG 4.37Å; F77-A126 HydrophobicContact CD1-CB 4.17Å; F77-A126 HydrophobicContact CD2-CB 4.46Å; F77-A126 HydrophobicContact CE1-CB 3.8Å; F77-A126 HydrophobicContact CE2-CB 4.1Å; F77-A126 HydrophobicContact CG-CB 4.49Å; F77-A126 HydrophobicContact CZ-CB 3.75Å; F77-L129 HydrophobicContact CE1-CD1 4.19Å; F77-L129 HydrophobicContact CZ-CD1 3.93Å; F77-Y137 HydrophobicContact CD1-CD2 4.2Å; F77-Y137 HydrophobicContact CD1-CE2 4.25Å; F77-Y137 AromaticContact CE1-CD2 3.88Å; F77-Y137 HydrophobicContact CE1-CD2 3.88Å; F77-Y137 HydrophobicContact CE1-CE2 4.28Å; F77-R140 HydrophobicContact CD1-CB 3.55Å; F77-R140 HydrophobicContact CE1-CB 3.74Å; F77-R140 HydrophobicContact CE1-CG 4.36Å; F77-R140 HydrophobicContact CG-CB 4.05Å; F77-R140 HydrophobicContact CZ-CB 4.39Å; F77-V141 HydrophobicContact CD1-CG2 4.27Å
78	H	98.3	Very high	97.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.219	C	C	.	.			trans	-143.7	140.7	-174.2	-175.6	-94.1	0	0	0	111.1	F48 N80 V81 L112 P116 N123	F48-H78 AromaticContact CE2-CD2 3.83Å; F48-H78 HydrophobicContact CZ-CB 4.15Å; F48-H78 AromaticContact CZ-CD2 3.63Å; H78-N80 PolarHBondContact CE1-OD1 3.16Å; H78-N80 PolarHBondContact ND1-N 2.74Å; H78-N80 PolarHBondContact O-N 2.92Å; H78-N80 VanDerWaalsContact O-N 3.13Å; H78-V81 HydrophobicContact CB-CB 4.07Å; H78-V81 HydrophobicContact CB-CG2 3.82Å; H78-V81 PolarHBondContact O-N 3.31Å; H78-V81 VanDerWaalsContact O-N 3.14Å; H78-L112 PolarHBondContact CE1-O 3.14Å; H78-L112 PolarHBondContact NE2-O 3.3Å; H78-P116 WeakPolarHBondContact NE2-CG 3.45Å; H78-N123 WeakPolarHBondContact O-CB 3.46Å
79	P	98.2	Very high	97.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.6	-178.9	-30.3	38.5	0	0	0	114.7	P116 P121 A122 N123 A126 A127 Y130 Y137	P79-P116 HydrophobicContact CB-CB 4.21Å; P79-P116 HydrophobicContact CG-CB 3.77Å; P79-P116 HydrophobicContact CG-CG 4.49Å; P79-P121 CarbonylContact O-C 3.46Å; P79-P121 WeakPolarHBondContact O-CA 3.41Å; P79-P121 WeakPolarHBondContact O-CB 3.38Å; P79-A122 PolarHBondContact O-N 3.18Å; P79-N123 PolarHBondContact O-N 3.11Å; P79-A126 HydrophobicContact CG-CB 4.22Å; P79-A127 HydrophobicContact CB-CB 4.05Å; P79-Y130 HydrophobicContact CG-CG 4.44Å; P79-Y137 HydrophobicContact CG-CE2 4.38Å
80	N	98.2	Very high	97.3	Very high	4 Å²	4	39 Å²	39	2%	0.021	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	14.3	-177.2	-52.4	100.9	0	0	0	114.4	H78 C88 L112 N117	H78-N80 PolarHBondContact CE1-OD1 3.16Å; H78-N80 PolarHBondContact ND1-N 2.74Å; H78-N80 PolarHBondContact O-N 2.92Å; H78-N80 VanDerWaalsContact O-N 3.13Å; N80-C88 HydrophobicContact CB-CB 4.5Å; N80-C88 PolarHBondContact O-N 3.41Å; N80-L112 HydrophobicContact CB-CD1 4.17Å; N80-L112 HydrophobicContact CB-CD2 3.95Å; N80-L112 HydrophobicContact CB-CG 4.33Å; N80-N117 PolarHBondContact ND2-O 2.97Å; N80-N117 PolarHBondContact OD1-N 3.42Å
81	V	98.3	Very high	97.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-117.4	126.9	174.8	-178.3	0	0	0	0	109.8	F72 M76 H78 S86 N123	F72-V81 HydrophobicContact CD2-CG1 3.93Å; F72-V81 HydrophobicContact CD2-CG2 3.89Å; F72-V81 HydrophobicContact CE2-CG2 3.74Å; M76-V81 HydrophobicContact CB-CB 4.24Å; M76-V81 HydrophobicContact CB-CG1 3.77Å; M76-V81 HydrophobicContact CG-CG1 4.17Å; H78-V81 HydrophobicContact CB-CB 4.07Å; H78-V81 HydrophobicContact CB-CG2 3.82Å; H78-V81 PolarHBondContact O-N 3.31Å; H78-V81 VanDerWaalsContact O-N 3.14Å; V81-S86 WeakPolarHBondContact CA-O 3.38Å; V81-N123 WeakPolarHBondContact O-CB 3.27Å
82	Y	97.8	Very high	97.1	Very high	109 Å²	109	39.8 Å²	39.8	43%	0.427	22%	0.224	S	C	.	.			trans	-73.4	164.7	176.6	-69.6	-81.5	0	0	0	111.6	D84 G85 S86 C88 A122	Y82-D84 VanDerWaalsContact CB-OD1 3.28Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.46Å; Y82-D84 PolarHBondContact O-N 3.21Å; Y82-G85 PolarHBondContact O-N 2.89Å; Y82-S86 WeakPolarHBondContact CB-OG 3.48Å; Y82-S86 WeakPolarHBondContact CD2-O 3.35Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.21Å; Y82-S86 PolarHBondContact N-O 2.62Å; Y82-C88 HydrophobicContact CE2-CB 3.99Å; Y82-A122 HydrophobicContact CD1-CB 3.74Å; Y82-A122 HydrophobicContact CD2-CB 3.66Å; Y82-A122 HydrophobicContact CE1-CB 3.69Å; Y82-A122 HydrophobicContact CE2-CB 3.62Å; Y82-A122 HydrophobicContact CG-CB 3.72Å
83	A	96	Very high	96.9	Very high	115 Å²	115	42.6 Å²	42.6	95%	0.95	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.8	179.2	0	0	0	0	0	114	G85	A83-G85 VanDerWaalsContact C-N 3.29Å
84	D	96.7	Very high	96.7	Very high	103 Å²	103	45.9 Å²	45.9	55%	0.551	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	6.7	175.5	75.2	-22.3	0	0	0	113.3	Y82 S86	Y82-D84 VanDerWaalsContact CB-OD1 3.28Å; Y82-D84 WeakPolarHBondContact CB-OD1 3.46Å; Y82-D84 PolarHBondContact O-N 3.21Å; D84-S86 VanDerWaalsContact C-N 3.29Å; D84-S86 PolarHBondContact O-N 2.57Å; D84-S86 VanDerWaalsContact OD1-CB 3.29Å; D84-S86 WeakPolarHBondContact OD1-CB 3.43Å; D84-S86 PolarHBondContact OD1-N 3.24Å; D84-S86 PolarHBondContact OD1-OG 3.41Å
85	G	97.9	Very high	96.7	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	27%	0.272	C	S	.	.	S	Bend	trans	83.2	-5.8	-178.1	0	0	0	0	0	114.6	V71 F72 Y82 A83	V71-G85 CarbonylContact C-O 3.58Å; V71-G85 VanDerWaalsContact CA-O 3.32Å; V71-G85 WeakPolarHBondContact CA-O 3.42Å; F72-G85 PolarHBondContact N-O 3.2Å; Y82-G85 PolarHBondContact O-N 2.89Å; A83-G85 VanDerWaalsContact C-N 3.29Å
86	S	97.6	Very high	96.8	Very high	28 Å²	28	43.8 Å²	43.8	20%	0.196	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-65.7	147.9	176.5	63.4	0	0	0	0	111.9	V81 Y82 D84	V81-S86 WeakPolarHBondContact CA-O 3.38Å; Y82-S86 WeakPolarHBondContact CB-OG 3.48Å; Y82-S86 WeakPolarHBondContact CD2-O 3.35Å; Y82-S86 WeakPolarHBondContact CD2-OG 3.21Å; Y82-S86 PolarHBondContact N-O 2.62Å; D84-S86 VanDerWaalsContact C-N 3.29Å; D84-S86 PolarHBondContact O-N 2.57Å; D84-S86 VanDerWaalsContact OD1-CB 3.29Å; D84-S86 WeakPolarHBondContact OD1-CB 3.43Å; D84-S86 PolarHBondContact OD1-N 3.24Å; D84-S86 PolarHBondContact OD1-OG 3.41Å
87	I	97.5	Very high	96.8	Very high	18 Å²	18	44.3 Å²	44.3	9%	0.092	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-109.9	126.9	-169.9	-51.3	173.9	0	0	0	109.4	L55 V70 F72 L89 L92 I109 L112	L55-I87 HydrophobicContact CD2-CD1 4.07Å; V70-I87 HydrophobicContact CB-CD1 4.43Å; V70-I87 HydrophobicContact CG1-CD1 3.92Å; F72-I87 HydrophobicContact CD2-CD1 3.74Å; F72-I87 HydrophobicContact CD2-CG1 3.78Å; F72-I87 HydrophobicContact CE2-CD1 3.52Å; F72-I87 HydrophobicContact CE2-CG1 3.84Å; F72-I87 HydrophobicContact CZ-CD1 4.37Å; I87-L89 HydrophobicContact CG2-CB 3.94Å; I87-L89 PolarHBondContact O-N 2.96Å; I87-L92 HydrophobicContact CB-CD1 4.37Å; I87-I109 HydrophobicContact CD1-CD1 3.75Å; I87-I109 HydrophobicContact CD1-CG1 4.03Å; I87-I109 HydrophobicContact CD1-CG2 3.99Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å
88	C	95.8	Very high	96.8	Very high	51 Å²	51	45.8 Å²	45.8	35%	0.345	27%	0.274	S	S	.	.			trans	-86.8	88.2	169.3	-170.2	0	0	0	0	109.2	N80 Y82 A122	N80-C88 HydrophobicContact CB-CB 4.5Å; N80-C88 PolarHBondContact O-N 3.41Å; Y82-C88 HydrophobicContact CE2-CB 3.99Å; C88-A122 HydrophobicContact CB-CB 4Å
89	L	95.2	Very high	96.7	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.115	31%	0.305	C	S	.	.			trans	-132.8	128.5	176.6	-179.7	64.6	0	0	0	108.6	I87 I91 L92 I109 L112	I87-L89 HydrophobicContact CG2-CB 3.94Å; I87-L89 PolarHBondContact O-N 2.96Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 HydrophobicContact CD2-CD1 4.1Å; L89-I91 HydrophobicContact CD2-CG1 3.7Å; L89-I91 HydrophobicContact CG-CG1 3.85Å; L89-I91 PolarHBondContact O-N 3.26Å; L89-L92 HydrophobicContact CB-CD1 4.22Å; L89-L92 HydrophobicContact CB-CG 4.36Å; L89-L92 HydrophobicContact CD2-CD1 4.37Å; L89-L92 HydrophobicContact CD2-CG 4.34Å; L89-L92 WeakPolarHBondContact O-CB 3.32Å; L89-L92 PolarHBondContact O-N 2.87Å; L89-I109 HydrophobicContact CD2-CG1 3.95Å; L89-L112 HydrophobicContact CB-CD2 4.39Å; L89-L112 HydrophobicContact CD1-CD2 4.32Å
90	D	93.7	Very high	96.7	Very high	86 Å²	86	54.4 Å²	54.4	46%	0.46	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.3	-35.8	-171.6	64.1	-21.3	0	0	0	113.5	L92 S93 N94 A95	D90-L92 PolarHBondContact O-N 2.95Å; D90-S93 CarbonylContact O-C 3.33Å; D90-S93 WeakPolarHBondContact O-CA 3.3Å; D90-S93 PolarHBondContact O-N 3.14Å; D90-S93 PolarHBondContact O-OG 3.34Å; D90-N94 PolarHBondContact O-N 2.92Å; D90-A95 HydrophobicContact CB-CB 3.99Å; D90-A95 WeakPolarHBondContact O-CA 3.48Å; D90-A95 WeakPolarHBondContact O-CB 3.38Å; D90-A95 PolarHBondContact O-N 2.92Å
91	I	95.8	Very high	96.6	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.062	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-64.7	-23.1	175.7	72.9	165.1	0	0	0	111.7	L89 S93 W96 Y100 S108	L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 HydrophobicContact CD2-CD1 4.1Å; L89-I91 HydrophobicContact CD2-CG1 3.7Å; L89-I91 HydrophobicContact CG-CG1 3.85Å; L89-I91 PolarHBondContact O-N 3.26Å; I91-S93 PolarHBondContact O-N 3.2Å; I91-W96 WeakPolarHBondContact O-CA 3.44Å; I91-W96 VanDerWaalsContact O-CB 3.25Å; I91-W96 WeakPolarHBondContact O-CB 3.34Å; I91-W96 PolarHBondContact O-N 2.87Å; I91-Y100 HydrophobicContact CB-CD2 4.35Å; I91-Y100 HydrophobicContact CB-CE2 3.94Å; I91-Y100 HydrophobicContact CG2-CE2 3.96Å; I91-S108 WeakPolarHBondContact CD1-OG 3.45Å
92	L	96.3	Very high	96.6	Very high	26 Å²	26	54.4 Å²	54.4	14%	0.136	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-85.4	3.2	173.9	-61.5	178	0	0	0	112.7	P67 V70 I87 L89 D90 I105	P67-L92 WeakPolarHBondContact CG-O 3.14Å; V70-L92 HydrophobicContact CB-CD1 4Å; V70-L92 HydrophobicContact CG2-CD1 4Å; V70-L92 HydrophobicContact CG2-CD2 3.89Å; I87-L92 HydrophobicContact CB-CD1 4.37Å; L89-L92 HydrophobicContact CB-CD1 4.22Å; L89-L92 HydrophobicContact CB-CG 4.36Å; L89-L92 HydrophobicContact CD2-CD1 4.37Å; L89-L92 HydrophobicContact CD2-CG 4.34Å; L89-L92 WeakPolarHBondContact O-CB 3.32Å; L89-L92 PolarHBondContact O-N 2.87Å; D90-L92 PolarHBondContact O-N 2.95Å; L92-I105 HydrophobicContact CD2-CG1 4.39Å; L92-I105 HydrophobicContact CD2-CG2 4.04Å
93	S	94.5	Very high	96.5	Very high	67 Å²	67	50.3 Å²	50.3	47%	0.469	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	-108.3	-178.4	61.2	0	0	0	0	111.5	D90 I91 W96	D90-S93 CarbonylContact O-C 3.33Å; D90-S93 WeakPolarHBondContact O-CA 3.3Å; D90-S93 PolarHBondContact O-N 3.14Å; D90-S93 PolarHBondContact O-OG 3.34Å; I91-S93 PolarHBondContact O-N 3.2Å; S93-W96 PolarHBondContact O-N 3.28Å
94	N	93.9	Very high	96.5	Very high	146 Å²	146	46.1 Å²	46.1	78%	0.781	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.2	-170.2	52.8	-73.7	0	0	0	114.1	D90	D90-N94 PolarHBondContact O-N 2.92Å
95	A	96.4	Very high	96.6	Very high	37 Å²	37	41.2 Å²	41.2	31%	0.306	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	9.5	175.5	0	0	0	0	0	112.9	D90 S97	D90-A95 HydrophobicContact CB-CB 3.99Å; D90-A95 WeakPolarHBondContact O-CA 3.48Å; D90-A95 WeakPolarHBondContact O-CB 3.38Å; D90-A95 PolarHBondContact O-N 2.92Å; A95-S97 PolarHBondContact O-N 2.86Å
96	W	98.1	Very high	96.5	Very high	35 Å²	35	40.9 Å²	40.9	13%	0.133	24%	0.24	C	C	.	.			trans	-59.1	137.2	177	176.8	-107.4	0	0	0	111.9	Y63 P64 N65 P67 I91 S93 Y100 I105	Y63-W96 HydrophobicContact CD2-CZ2 4.23Å; Y63-W96 AromaticContact CE2-CH2 3.77Å; Y63-W96 HydrophobicContact CE2-CH2 3.77Å; Y63-W96 AromaticContact CE2-CZ2 3.78Å; Y63-W96 HydrophobicContact CE2-CZ2 3.78Å; P64-W96 HydrophobicContact CB-CZ2 4.49Å; P64-W96 WeakPolarHBondContact O-CZ2 3.32Å; P64-W96 PolarHBondContact O-NE1 2.98Å; N65-W96 PolarHBondContact O-NE1 2.85Å; P67-W96 HydrophobicContact CB-CB 4.36Å; P67-W96 HydrophobicContact CB-CD2 3.54Å; P67-W96 HydrophobicContact CB-CE3 3.66Å; P67-W96 HydrophobicContact CB-CG 3.86Å; P67-W96 HydrophobicContact CB-CZ3 4.17Å; P67-W96 HydrophobicContact CG-CB 4.2Å; P67-W96 HydrophobicContact CG-CD2 4.22Å; P67-W96 HydrophobicContact CG-CG 3.99Å; I91-W96 WeakPolarHBondContact O-CA 3.44Å; I91-W96 VanDerWaalsContact O-CB 3.25Å; I91-W96 WeakPolarHBondContact O-CB 3.34Å; I91-W96 PolarHBondContact O-N 2.87Å; S93-W96 PolarHBondContact O-N 3.28Å; W96-Y100 AromaticContact CE3-CD2 3.86Å; W96-Y100 HydrophobicContact CE3-CD2 3.86Å; W96-Y100 HydrophobicContact CE3-CG 4.47Å; W96-Y100 HydrophobicContact CZ3-CD2 4.11Å; W96-Y100 HydrophobicContact CZ3-CG 4.27Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.84Å; W96-I105 HydrophobicContact CZ3-CG1 4.04Å
97	S	98	Very high	96.5	Very high	36 Å²	36	41.8 Å²	41.8	25%	0.252	25%	0.245	S	C	.	.			trans	-131.5	138.7	171.8	174.2	0	0	0	0	109.6	A95 T99 Y100	A95-S97 PolarHBondContact O-N 2.86Å; S97-T99 WeakPolarHBondContact CB-OG1 3.48Å; S97-T99 PolarHBondContact O-N 3Å; S97-T99 PolarHBondContact OG-N 2.92Å; S97-T99 PolarHBondContact OG-OG1 3.44Å; S97-Y100 WeakPolarHBondContact O-CD2 3.34Å; S97-Y100 PolarHBondContact O-N 2.69Å
98	P	97.8	Very high	96.4	Very high	55 Å²	55	42.8 Å²	42.8	36%	0.357	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.1	173.8	-22.9	33.4	0	0	0	115	R8 P64	R8-P98 PolarHBondContact NH1-O 3.35Å; P64-P98 HydrophobicContact CB-CB 4.15Å; P64-P98 HydrophobicContact CG-CB 4.04Å; P64-P98 VanDerWaalsContact O-CA 3.31Å; P64-P98 WeakPolarHBondContact O-CA 3.32Å; P64-P98 WeakPolarHBondContact O-CB 3.15Å
99	T	97.5	Very high	96.5	Very high	108 Å²	108	40.4 Å²	40.4	66%	0.663	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-25.6	173.3	57.5	0	0	0	0	113	S97	S97-T99 WeakPolarHBondContact CB-OG1 3.48Å; S97-T99 PolarHBondContact O-N 3Å; S97-T99 PolarHBondContact OG-N 2.92Å; S97-T99 PolarHBondContact OG-OG1 3.44Å
100	Y	98	Very high	96.6	Very high	73 Å²	73	40.9 Å²	40.9	29%	0.286	24%	0.238	S	C	.	.			trans	-68.8	143.2	174.9	-63.7	-54.3	0	0	0	110.4	R8 I91 W96 S97 A104	R8-Y100 PolarHBondContact NH2-O 3.42Å; I91-Y100 HydrophobicContact CB-CD2 4.35Å; I91-Y100 HydrophobicContact CB-CE2 3.94Å; I91-Y100 HydrophobicContact CG2-CE2 3.96Å; W96-Y100 AromaticContact CE3-CD2 3.86Å; W96-Y100 HydrophobicContact CE3-CD2 3.86Å; W96-Y100 HydrophobicContact CE3-CG 4.47Å; W96-Y100 HydrophobicContact CZ3-CD2 4.11Å; W96-Y100 HydrophobicContact CZ3-CG 4.27Å; S97-Y100 WeakPolarHBondContact O-CD2 3.34Å; S97-Y100 PolarHBondContact O-N 2.69Å; Y100-A104 HydrophobicContact CD1-CB 3.93Å
101	D	96.6	Very high	96.6	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.043	24%	0.238	C	C	.	.			trans	-122.8	179.1	173.4	53.5	24.8	0	0	0	110.2	D12 R15 L103 A104 I105	D12-D101 HydrophobicContact CB-CB 4.29Å; D12-D101 WeakPolarHBondContact OD2-CB 3.39Å; R15-D101 WeakPolarHBondContact CD-OD2 3.46Å; R15-D101 IonicContact CZ-OD2 2.78Å; R15-D101 VanDerWaalsContact CZ-OD2 3.3Å; R15-D101 IonicContact NE-OD2 3.33Å; R15-D101 PolarHBondContact NE-OD2 2.91Å; R15-D101 IonicContact NH1-OD2 2.84Å; R15-D101 PolarHBondContact NH1-OD2 3.39Å; D101-L103 PolarHBondContact O-N 3.25Å; D101-L103 WeakPolarHBondContact OD1-CB 3.25Å; D101-L103 PolarHBondContact OD1-N 3.28Å; D101-A104 PolarHBondContact O-N 3.2Å; D101-A104 WeakPolarHBondContact OD1-CB 3.43Å; D101-A104 PolarHBondContact OD1-N 3.2Å; D101-I105 WeakPolarHBondContact O-CG1 3.41Å; D101-I105 PolarHBondContact O-N 3.39Å
102	V	97.4	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.4	-40.7	179.2	-177.7	0	0	0	0	111.9	D12 L16 W36 L57 F59 I105 L106	D12-V102 HydrophobicContact CB-CB 4.39Å; D12-V102 HydrophobicContact CB-CG2 3.91Å; L16-V102 HydrophobicContact CD2-CG1 4.26Å; W36-V102 HydrophobicContact CE3-CG1 3.91Å; W36-V102 HydrophobicContact CE3-CG2 4.4Å; W36-V102 HydrophobicContact CH2-CB 4.48Å; W36-V102 HydrophobicContact CH2-CG2 4.03Å; W36-V102 HydrophobicContact CZ2-CG2 4.37Å; W36-V102 HydrophobicContact CZ3-CB 4.19Å; W36-V102 HydrophobicContact CZ3-CG1 3.77Å; W36-V102 HydrophobicContact CZ3-CG2 4.08Å; L57-V102 HydrophobicContact CD2-CG1 4.23Å; F59-V102 HydrophobicContact CE1-CG2 4.25Å; F59-V102 HydrophobicContact CZ-CG2 3.75Å; V102-I105 PolarHBondContact O-N 3.03Å; V102-L106 HydrophobicContact CG1-CD1 3.88Å; V102-L106 HydrophobicContact CG1-CG 4.29Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.05Å
103	L	95.9	Very high	96.7	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.12	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-52.7	177.3	172.2	62.1	0	0	0	111.1	R15 L16 P21 D101 I105 L106 T107	R15-L103 HydrophobicContact CG-CD2 4.23Å; L16-L103 HydrophobicContact CD1-CB 4.29Å; L16-L103 HydrophobicContact CD1-CD1 3.95Å; P21-L103 HydrophobicContact CB-CD1 4.48Å; P21-L103 HydrophobicContact CG-CD1 3.33Å; D101-L103 PolarHBondContact O-N 3.25Å; D101-L103 WeakPolarHBondContact OD1-CB 3.25Å; D101-L103 PolarHBondContact OD1-N 3.28Å; L103-I105 VanDerWaalsContact C-N 3.31Å; L103-I105 PolarHBondContact O-N 2.74Å; L103-L106 PolarHBondContact O-N 3.33Å; L103-T107 PolarHBondContact O-N 3.5Å; L103-T107 PolarHBondContact O-OG1 3.47Å; L103-T107 VanDerWaalsContact O-OG1 3.08Å
104	A	96.2	Very high	96.6	Very high	27 Å²	27	40 Å²	40	22%	0.223	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-40.9	178.7	0	0	0	0	0	112.4	Y100 D101 S108	Y100-A104 HydrophobicContact CD1-CB 3.93Å; D101-A104 PolarHBondContact O-N 3.2Å; D101-A104 WeakPolarHBondContact OD1-CB 3.43Å; D101-A104 PolarHBondContact OD1-N 3.2Å; A104-S108 WeakPolarHBondContact O-CB 3.2Å; A104-S108 PolarHBondContact O-N 2.93Å; A104-S108 PolarHBondContact O-OG 3.35Å; A104-S108 VanDerWaalsContact O-OG 3.08Å
105	I	97.7	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-51.7	176.9	-69.1	163.1	0	0	0	110.6	L57 P68 V70 L92 W96 D101 V102 L103 S108 I109	L57-I105 HydrophobicContact CD2-CG2 4.4Å; P68-I105 HydrophobicContact CG-CD1 3.68Å; V70-I105 HydrophobicContact CG2-CG2 4.16Å; L92-I105 HydrophobicContact CD2-CG1 4.39Å; L92-I105 HydrophobicContact CD2-CG2 4.04Å; W96-I105 HydrophobicContact CH2-CD1 4.03Å; W96-I105 HydrophobicContact CZ3-CD1 3.84Å; W96-I105 HydrophobicContact CZ3-CG1 4.04Å; D101-I105 WeakPolarHBondContact O-CG1 3.41Å; D101-I105 PolarHBondContact O-N 3.39Å; V102-I105 PolarHBondContact O-N 3.03Å; L103-I105 VanDerWaalsContact C-N 3.31Å; L103-I105 PolarHBondContact O-N 2.74Å; I105-S108 PolarHBondContact O-N 3.03Å; I105-I109 HydrophobicContact CG2-CD1 3.79Å; I105-I109 VanDerWaalsContact O-CG1 3.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.23Å; I105-I109 PolarHBondContact O-N 3.4Å
106	L	97.5	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-39.4	-177	-65.9	175.4	0	0	0	111.8	L16 I24 A38 I40 L57 V102 L103 I109 Q110	L16-L106 HydrophobicContact CD2-CD1 4.49Å; I24-L106 HydrophobicContact CD1-CB 4.21Å; I24-L106 HydrophobicContact CG2-CB 3.54Å; I24-L106 HydrophobicContact CG2-CD1 3.56Å; I24-L106 HydrophobicContact CG2-CG 4.16Å; A38-L106 HydrophobicContact CB-CD1 3.91Å; A38-L106 HydrophobicContact CB-CD2 3.67Å; A38-L106 HydrophobicContact CB-CG 4.47Å; I40-L106 HydrophobicContact CD1-CB 4.46Å; I40-L106 HydrophobicContact CD1-CD2 4.13Å; I40-L106 WeakPolarHBondContact CD1-O 3.4Å; I40-L106 HydrophobicContact CG1-CD2 4.45Å; L57-L106 HydrophobicContact CD1-CD2 4.32Å; V102-L106 HydrophobicContact CG1-CD1 3.88Å; V102-L106 HydrophobicContact CG1-CG 4.29Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.05Å; L103-L106 PolarHBondContact O-N 3.33Å; L106-I109 PolarHBondContact O-N 3.48Å; L106-Q110 PolarHBondContact O-N 2.96Å
107	T	96	Very high	96.1	Very high	48 Å²	48	40.9 Å²	40.9	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-44.9	174.4	-59.2	0	0	0	0	111.5	L103 I109 Q110 S111	L103-T107 PolarHBondContact O-N 3.5Å; L103-T107 PolarHBondContact O-OG1 3.47Å; L103-T107 VanDerWaalsContact O-OG1 3.08Å; T107-I109 VanDerWaalsContact C-N 3.3Å; T107-I109 PolarHBondContact O-N 3.48Å; T107-Q110 PolarHBondContact O-N 3.25Å; T107-S111 PolarHBondContact O-N 2.95Å; T107-S111 PolarHBondContact O-OG 3.25Å
108	S	96.5	Very high	95.5	Very high	39 Å²	39	41.1 Å²	41.1	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-34.6	177.3	-64	0	0	0	0	112.9	I91 A104 I105 L112	I91-S108 WeakPolarHBondContact CD1-OG 3.45Å; A104-S108 WeakPolarHBondContact O-CB 3.2Å; A104-S108 PolarHBondContact O-N 2.93Å; A104-S108 PolarHBondContact O-OG 3.35Å; A104-S108 VanDerWaalsContact O-OG 3.08Å; I105-S108 PolarHBondContact O-N 3.03Å; S108-L112 WeakPolarHBondContact O-CB 3.37Å; S108-L112 PolarHBondContact O-N 3.39Å
109	I	97.4	Very high	94.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-69.5	-39.9	174.2	-65.4	163.7	0	0	0	111	I40 L55 V70 F72 I87 L89 I105 L106 T107 L112 L113	I40-I109 HydrophobicContact CD1-CB 3.75Å; I40-I109 HydrophobicContact CD1-CG2 3.53Å; L55-I109 HydrophobicContact CD2-CD1 4.13Å; L55-I109 HydrophobicContact CD2-CG2 4.04Å; V70-I109 HydrophobicContact CG1-CD1 3.78Å; F72-I109 HydrophobicContact CE2-CG2 4.03Å; F72-I109 HydrophobicContact CZ-CG2 3.61Å; I87-I109 HydrophobicContact CD1-CD1 3.75Å; I87-I109 HydrophobicContact CD1-CG1 4.03Å; I87-I109 HydrophobicContact CD1-CG2 3.99Å; L89-I109 HydrophobicContact CD2-CG1 3.95Å; I105-I109 HydrophobicContact CG2-CD1 3.79Å; I105-I109 VanDerWaalsContact O-CG1 3.32Å; I105-I109 WeakPolarHBondContact O-CG1 3.23Å; I105-I109 PolarHBondContact O-N 3.4Å; L106-I109 PolarHBondContact O-N 3.48Å; T107-I109 VanDerWaalsContact C-N 3.3Å; T107-I109 PolarHBondContact O-N 3.48Å; I109-L112 WeakPolarHBondContact O-CB 3.19Å; I109-L112 PolarHBondContact O-N 2.7Å; I109-L113 PolarHBondContact O-N 3.15Å
110	Q	96.8	Very high	94.3	Very high	31 Å²	31	44.1 Å²	44.1	15%	0.145	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-45.3	175.8	-175.4	-178.1	53.2	0	0	111.2	P22 I24 I40 F41 P43 L106 T107 L112 L113	P22-Q110 PolarHBondContact O-NE2 2.84Å; I24-Q110 HydrophobicContact CD1-CB 4.06Å; I24-Q110 HydrophobicContact CG1-CB 4.48Å; I40-Q110 HydrophobicContact CG2-CB 3.78Å; I40-Q110 HydrophobicContact CG2-CG 3.83Å; F41-Q110 PolarHBondContact O-NE2 2.9Å; P43-Q110 HydrophobicContact CG-CG 3.93Å; L106-Q110 PolarHBondContact O-N 2.96Å; T107-Q110 PolarHBondContact O-N 3.25Å; Q110-L112 VanDerWaalsContact C-N 3.26Å; Q110-L112 PolarHBondContact O-N 3.48Å; Q110-L113 WeakPolarHBondContact O-CB 3.3Å; Q110-L113 PolarHBondContact O-N 3.31Å; Q110-L113 VanDerWaalsContact O-N 3.13Å
111	S	95.3	Very high	94	Very high	64 Å²	64	42.6 Å²	42.6	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-61.5	-34.2	174.7	-59.8	0	0	0	0	112.6	T107 L113 D114 E115	T107-S111 PolarHBondContact O-N 2.95Å; T107-S111 PolarHBondContact O-OG 3.25Å; S111-L113 PolarHBondContact O-N 3.37Å; S111-D114 PolarHBondContact O-N 2.98Å; S111-D114 VanDerWaalsContact O-N 3.15Å; S111-E115 PolarHBondContact O-N 3.44Å
112	L	96	Very high	94	Very high	19 Å²	19	43 Å²	43	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-28.5	176.9	-175.6	65.7	0	0	0	112.7	H78 N80 I87 L89 S108 I109 Q110 D114 E115	H78-L112 PolarHBondContact CE1-O 3.14Å; H78-L112 PolarHBondContact NE2-O 3.3Å; N80-L112 HydrophobicContact CB-CD1 4.17Å; N80-L112 HydrophobicContact CB-CD2 3.95Å; N80-L112 HydrophobicContact CB-CG 4.33Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å; L89-L112 HydrophobicContact CB-CD2 4.39Å; L89-L112 HydrophobicContact CD1-CD2 4.32Å; S108-L112 WeakPolarHBondContact O-CB 3.37Å; S108-L112 PolarHBondContact O-N 3.39Å; I109-L112 WeakPolarHBondContact O-CB 3.19Å; I109-L112 PolarHBondContact O-N 2.7Å; Q110-L112 VanDerWaalsContact C-N 3.26Å; Q110-L112 PolarHBondContact O-N 3.48Å; L112-D114 VanDerWaalsContact C-N 3.33Å; L112-E115 CarbonylContact O-C 3.51Å
113	L	96.4	Very high	94	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-33.2	176	-62.4	179.8	0	0	0	112.5	I40 P43 F48 F53 F72 M76 I109 Q110 S111	I40-L113 HydrophobicContact CG2-CD1 4.04Å; P43-L113 HydrophobicContact CG-CB 4.44Å; F48-L113 HydrophobicContact CD1-CD2 4.26Å; F48-L113 HydrophobicContact CD2-CB 4.02Å; F48-L113 WeakPolarHBondContact CD2-O 3.43Å; F48-L113 HydrophobicContact CE1-CD2 4.13Å; F48-L113 HydrophobicContact CE2-CB 4.41Å; F48-L113 HydrophobicContact CE2-CD2 4.46Å; F48-L113 WeakPolarHBondContact CE2-O 3.44Å; F48-L113 HydrophobicContact CG-CB 4.26Å; F48-L113 HydrophobicContact CZ-CD2 4.26Å; F53-L113 HydrophobicContact CD2-CD1 4.2Å; F53-L113 HydrophobicContact CE2-CD1 4.5Å; F72-L113 HydrophobicContact CZ-CD2 4.34Å; M76-L113 HydrophobicContact CE-CD2 3.71Å; I109-L113 PolarHBondContact O-N 3.15Å; Q110-L113 WeakPolarHBondContact O-CB 3.3Å; Q110-L113 PolarHBondContact O-N 3.31Å; Q110-L113 VanDerWaalsContact O-N 3.13Å; S111-L113 PolarHBondContact O-N 3.37Å
114	D	93.7	Very high	94	Very high	85 Å²	85	47.7 Å²	47.7	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-81.1	-40.9	177.1	-174.9	25.2	0	0	0	111.7	P43 T46 S111 L112 P116	P43-D114 HydrophobicContact CG-CB 4.37Å; T46-D114 HydrophobicContact CG2-CB 3.94Å; T46-D114 VanDerWaalsContact CG2-OD1 3.27Å; T46-D114 WeakPolarHBondContact CG2-OD1 3.45Å; S111-D114 PolarHBondContact O-N 2.98Å; S111-D114 VanDerWaalsContact O-N 3.15Å; L112-D114 VanDerWaalsContact C-N 3.33Å; D114-P116 WeakPolarHBondContact O-CD 3.34Å
115	E	93.2	Very high	94.1	Very high	147 Å²	147	50.7 Å²	50.7	69%	0.687	29%	0.294	S	S	*	.	S	Bend	trans	-115.2	74.2	-177.9	-60.9	-174.6	166.6	0	0	113	S111 L112	S111-E115 PolarHBondContact O-N 3.44Å; L112-E115 CarbonylContact O-C 3.51Å
116	P	92.9	Very high	94.1	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.091	29%	0.294	C	S	.	.			trans	-61.3	144.8	175.5	-19.5	27.7	0	0	0	112.4	H78 P79 D114 P118 Y130	H78-P116 WeakPolarHBondContact NE2-CG 3.45Å; P79-P116 HydrophobicContact CB-CB 4.21Å; P79-P116 HydrophobicContact CG-CB 3.77Å; P79-P116 HydrophobicContact CG-CG 4.49Å; D114-P116 WeakPolarHBondContact O-CD 3.34Å; P116-P118 WeakPolarHBondContact O-CD 3.42Å; P116-Y130 HydrophobicContact CB-CE1 4.4Å; P116-Y130 HydrophobicContact CB-CE2 4.36Å; P116-Y130 HydrophobicContact CG-CD2 4.24Å; P116-Y130 HydrophobicContact CG-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CE2 3.68Å
117	N	90.9	Very high	94.1	Very high	76 Å²	76	51 Å²	51	41%	0.406	30%	0.296	S	S	.	.			trans	-101.2	98.4	170.9	-177.7	-4.5	0	0	0	110.9	N80 N119	N80-N117 PolarHBondContact ND2-O 2.97Å; N80-N117 PolarHBondContact OD1-N 3.42Å; N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.4Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.12Å; N117-N119 VanDerWaalsContact OD1-N 3.12Å
118	P	85.6	Confident	94.1	Very high	40 Å²	40	53.5 Å²	53.5	26%	0.26	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.8	-177.8	32.7	-37.3	0	0	0	114.2	P116 A127 Y130 V131	P116-P118 WeakPolarHBondContact O-CD 3.42Å; P118-A127 HydrophobicContact CB-CB 4.43Å; P118-Y130 HydrophobicContact CB-CD1 4.42Å; P118-V131 HydrophobicContact CB-CG2 3.99Å; P118-V131 HydrophobicContact CG-CG2 4.37Å
119	N	84.4	Confident	94.2	Very high	142 Å²	142	52.8 Å²	52.8	76%	0.759	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.6	-172.4	-64.6	-43.9	0	0	0	113.5	N117	N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 PolarHBondContact O-N 3.4Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.12Å; N117-N119 VanDerWaalsContact OD1-N 3.12Å
120	S	86.1	Confident	94.1	Very high	84 Å²	84	54.8 Å²	54.8	59%	0.587	31%	0.306	S	S	*	.	S	Bend	trans	-136.9	72.2	177.3	-65.4	0	0	0	0	109.7
121	P	91.7	Very high	94.1	Very high	42 Å²	42	58.2 Å²	58.2	27%	0.273	33%	0.329	S	S	.	.			trans	-80.2	139.3	-168.4	32.9	-35.1	0	0	0	112.3	P79 N123 A127	P79-P121 CarbonylContact O-C 3.46Å; P79-P121 WeakPolarHBondContact O-CA 3.41Å; P79-P121 WeakPolarHBondContact O-CB 3.38Å; P121-N123 VanDerWaalsContact C-N 3.33Å; P121-A127 HydrophobicContact CB-CB 3.41Å; P121-A127 VanDerWaalsContact CB-CB 3.41Å; P121-A127 HydrophobicContact CG-CB 3.76Å
122	A	95.9	Very high	94.2	Very high	17 Å²	17	61.8 Å²	61.8	14%	0.14	34%	0.338	C	S	.	.	S	Bend	trans	-73.1	-30.3	164.7	0	0	0	0	0	111.5	P79 Y82 C88	P79-A122 PolarHBondContact O-N 3.18Å; Y82-A122 HydrophobicContact CD1-CB 3.74Å; Y82-A122 HydrophobicContact CD2-CB 3.66Å; Y82-A122 HydrophobicContact CE1-CB 3.69Å; Y82-A122 HydrophobicContact CE2-CB 3.62Å; Y82-A122 HydrophobicContact CG-CB 3.72Å; C88-A122 HydrophobicContact CB-CB 4Å
123	N	97.5	Very high	94.2	Very high	34 Å²	34	64.6 Å²	64.6	18%	0.182	35%	0.353	C	S	.	.	S	Bend	trans	-123	95	176.5	-177	-20.5	0	0	0	109.8	H78 P79 V81 P121 M125 A126 A127	H78-N123 WeakPolarHBondContact O-CB 3.46Å; P79-N123 PolarHBondContact O-N 3.11Å; V81-N123 WeakPolarHBondContact O-CB 3.27Å; P121-N123 VanDerWaalsContact C-N 3.33Å; N123-M125 PolarHBondContact O-N 3.29Å; N123-M125 PolarHBondContact OD1-N 3.28Å; N123-A126 HydrophobicContact CB-CB 3.97Å; N123-A126 PolarHBondContact O-N 3.35Å; N123-A126 PolarHBondContact OD1-N 2.99Å; N123-A127 PolarHBondContact O-N 3.13Å
124	S	96.8	Very high	94.2	Very high	86 Å²	86	69.3 Å²	69.3	60%	0.601	37%	0.371	S	S	*	.	H	α-helix	trans	-59.1	-33	-178.2	-49	0	0	0	0	112.8	Q128	S124-Q128 WeakPolarHBondContact O-CB 3.41Å; S124-Q128 PolarHBondContact O-N 3.15Å
125	M	97.2	Very high	94.4	Very high	90 Å²	90	75.4 Å²	75.4	44%	0.443	39%	0.387	S	S	.	.	H	α-helix	trans	-70.2	-44.3	178.7	-171.8	175	-158.2	0	0	111.6	F77 N123 A127 Q128 L129 R140	F77-M125 HydrophobicContact CZ-CG 4.37Å; N123-M125 PolarHBondContact O-N 3.29Å; N123-M125 PolarHBondContact OD1-N 3.28Å; M125-A127 VanDerWaalsContact C-N 3.33Å; M125-Q128 PolarHBondContact O-N 2.95Å; M125-L129 HydrophobicContact CG-CD1 4.36Å; M125-L129 WeakPolarHBondContact O-CG 3.43Å; M125-L129 PolarHBondContact O-N 2.93Å; M125-R140 VanDerWaalsContact CE-NH2 3.32Å; M125-R140 PolarHBondContact SD-NH1 2.82Å
126	A	97.9	Very high	94.7	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-43	175.3	0	0	0	0	0	110.9	F77 P79 N123 L129 Y130 Y137	F77-A126 HydrophobicContact CD1-CB 4.17Å; F77-A126 HydrophobicContact CD2-CB 4.46Å; F77-A126 HydrophobicContact CE1-CB 3.8Å; F77-A126 HydrophobicContact CE2-CB 4.1Å; F77-A126 HydrophobicContact CG-CB 4.49Å; F77-A126 HydrophobicContact CZ-CB 3.75Å; P79-A126 HydrophobicContact CG-CB 4.22Å; N123-A126 HydrophobicContact CB-CB 3.97Å; N123-A126 PolarHBondContact O-N 3.35Å; N123-A126 PolarHBondContact OD1-N 2.99Å; A126-L129 PolarHBondContact O-N 3.24Å; A126-Y130 WeakPolarHBondContact O-CB 3.5Å; A126-Y130 PolarHBondContact O-N 3.44Å; A126-Y137 HydrophobicContact CB-CE2 4.34Å
127	A	97.5	Very high	94.9	Very high	6 Å²	6	70.5 Å²	70.5	5%	0.05	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-45	177.1	0	0	0	0	0	112.9	P79 P118 P121 N123 M125 Y130 V131	P79-A127 HydrophobicContact CB-CB 4.05Å; P118-A127 HydrophobicContact CB-CB 4.43Å; P121-A127 HydrophobicContact CB-CB 3.41Å; P121-A127 VanDerWaalsContact CB-CB 3.41Å; P121-A127 HydrophobicContact CG-CB 3.76Å; N123-A127 PolarHBondContact O-N 3.13Å; M125-A127 VanDerWaalsContact C-N 3.33Å; A127-Y130 WeakPolarHBondContact O-CB 3.43Å; A127-Y130 PolarHBondContact O-N 2.87Å; A127-V131 WeakPolarHBondContact O-CG2 3.27Å; A127-V131 PolarHBondContact O-N 2.95Å; A127-V131 VanDerWaalsContact O-N 3.16Å
128	Q	97.1	Very high	95.2	Very high	102 Å²	102	71 Å²	71	48%	0.477	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-50	176.8	-174.1	-176.6	9.7	0	0	111	S124 M125 Y130 V131 E132	S124-Q128 WeakPolarHBondContact O-CB 3.41Å; S124-Q128 PolarHBondContact O-N 3.15Å; M125-Q128 PolarHBondContact O-N 2.95Å; Q128-Y130 VanDerWaalsContact C-N 3.32Å; Q128-Y130 PolarHBondContact O-N 2.82Å; Q128-V131 PolarHBondContact O-N 3.24Å; Q128-E132 VanDerWaalsContact CG-CD 3.5Å; Q128-E132 HydrophobicContact CG-CG 4.24Å; Q128-E132 VanDerWaalsContact CG-OE2 3.27Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.1Å; Q128-E132 PolarHBondContact NE2-OE2 3.26Å; Q128-E132 WeakPolarHBondContact O-CB 3.47Å; Q128-E132 PolarHBondContact O-N 3.19Å
129	L	97.7	Very high	95.8	Very high	23 Å²	23	75.8 Å²	75.8	12%	0.12	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-36.8	178.9	-66.2	177.1	0	0	0	111.8	F77 M125 A126 V131 N133 R134 E136	F77-L129 HydrophobicContact CE1-CD1 4.19Å; F77-L129 HydrophobicContact CZ-CD1 3.93Å; M125-L129 HydrophobicContact CG-CD1 4.36Å; M125-L129 WeakPolarHBondContact O-CG 3.43Å; M125-L129 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 3.24Å; L129-V131 VanDerWaalsContact C-N 3.25Å; L129-V131 PolarHBondContact O-N 3.03Å; L129-N133 HydrophobicContact CD2-CB 4.15Å; L129-N133 CarbonylContact O-C 2.87Å; L129-N133 WeakPolarHBondContact O-CA 3.49Å; L129-N133 PolarHBondContact O-N 3.31Å; L129-R134 PolarHBondContact O-N 3.18Å; L129-E136 HydrophobicContact CD1-CG 4.05Å; L129-E136 HydrophobicContact CD2-CB 4.32Å; L129-E136 HydrophobicContact CD2-CG 4.04Å
130	Y	96.7	Very high	96.5	Very high	44 Å²	44	72.9 Å²	72.9	17%	0.173	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-37.6	177.2	-178.7	-101.6	0	0	0	112.7	P79 P116 P118 A126 A127 Q128 R134 Y137	P79-Y130 HydrophobicContact CG-CG 4.44Å; P116-Y130 HydrophobicContact CB-CE1 4.4Å; P116-Y130 HydrophobicContact CB-CE2 4.36Å; P116-Y130 HydrophobicContact CG-CD2 4.24Å; P116-Y130 HydrophobicContact CG-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CE2 3.68Å; P118-Y130 HydrophobicContact CB-CD1 4.42Å; A126-Y130 WeakPolarHBondContact O-CB 3.5Å; A126-Y130 PolarHBondContact O-N 3.44Å; A127-Y130 WeakPolarHBondContact O-CB 3.43Å; A127-Y130 PolarHBondContact O-N 2.87Å; Q128-Y130 VanDerWaalsContact C-N 3.32Å; Q128-Y130 PolarHBondContact O-N 2.82Å; Y130-R134 VanDerWaalsContact CD2-CZ 3.46Å; Y130-R134 PolarHBondContact O-NE 2.61Å; Y130-R134 VanDerWaalsContact O-NE 3.13Å; Y130-R134 PolarHBondContact O-NH2 3.21Å; Y130-R134 PolarHBondContact OH-NH2 3.33Å; Y130-Y137 AromaticContact CD2-CD1 3.94Å; Y130-Y137 HydrophobicContact CD2-CD1 3.94Å; Y130-Y137 HydrophobicContact CD2-CD2 4.46Å; Y130-Y137 AromaticContact CD2-CE1 3.65Å; Y130-Y137 HydrophobicContact CD2-CE1 3.65Å; Y130-Y137 HydrophobicContact CD2-CE2 4.22Å; Y130-Y137 HydrophobicContact CD2-CG 4.34Å; Y130-Y137 AromaticContact CD2-CZ 3.8Å; Y130-Y137 HydrophobicContact CE2-CE1 4.25Å
131	V	95.6	Very high	97.1	Very high	103 Å²	103	68.9 Å²	68.9	62%	0.624	33%	0.33	S	S	*	.	H	α-helix	trans	-87	-46.8	179.6	177.9	0	0	0	0	112.4	P118 A127 Q128 L129	P118-V131 HydrophobicContact CB-CG2 3.99Å; P118-V131 HydrophobicContact CG-CG2 4.37Å; A127-V131 WeakPolarHBondContact O-CG2 3.27Å; A127-V131 PolarHBondContact O-N 2.95Å; A127-V131 VanDerWaalsContact O-N 3.16Å; Q128-V131 PolarHBondContact O-N 3.24Å; L129-V131 VanDerWaalsContact C-N 3.25Å; L129-V131 PolarHBondContact O-N 3.03Å
132	E	97	Very high	97.4	Very high	139 Å²	139	71.1 Å²	71.1	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-95.2	-27.4	-168.4	-61.7	179.3	-178.7	0	0	113.6	Q128	Q128-E132 VanDerWaalsContact CG-CD 3.5Å; Q128-E132 HydrophobicContact CG-CG 4.24Å; Q128-E132 VanDerWaalsContact CG-OE2 3.27Å; Q128-E132 WeakPolarHBondContact CG-OE2 3.1Å; Q128-E132 PolarHBondContact NE2-OE2 3.26Å; Q128-E132 WeakPolarHBondContact O-CB 3.47Å; Q128-E132 PolarHBondContact O-N 3.19Å
133	N	97.3	Very high	97.5	Very high	77 Å²	77	72.6 Å²	72.6	41%	0.412	35%	0.345	S	S	.	.			trans	-150.2	72.1	-174.6	-170.2	-11.6	0	0	0	112	L129 R135 E136 Y137	L129-N133 HydrophobicContact CD2-CB 4.15Å; L129-N133 CarbonylContact O-C 2.87Å; L129-N133 WeakPolarHBondContact O-CA 3.49Å; L129-N133 PolarHBondContact O-N 3.31Å; N133-R135 PolarHBondContact O-N 3Å; N133-R135 VanDerWaalsContact O-N 3.13Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 PolarHBondContact O-N 3.09Å; N133-E136 PolarHBondContact OD1-N 3.33Å; N133-Y137 PolarHBondContact O-N 3.14Å
134	R	96.5	Very high	97.4	Very high	105 Å²	105	71.4 Å²	71.4	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-52.5	-38	-177.2	-177	57.9	62.3	119.3	5	113.2	L129 Y130 Y137 E138	L129-R134 PolarHBondContact O-N 3.18Å; Y130-R134 VanDerWaalsContact CD2-CZ 3.46Å; Y130-R134 PolarHBondContact O-NE 2.61Å; Y130-R134 VanDerWaalsContact O-NE 3.13Å; Y130-R134 PolarHBondContact O-NH2 3.21Å; Y130-R134 PolarHBondContact OH-NH2 3.33Å; R134-Y137 WeakPolarHBondContact O-CB 3.28Å; R134-Y137 PolarHBondContact O-N 3.13Å; R134-E138 WeakPolarHBondContact CD-OE1 3.43Å; R134-E138 HydrophobicContact CG-CG 4.38Å; R134-E138 VanDerWaalsContact CG-OE1 3.26Å; R134-E138 WeakPolarHBondContact CG-OE1 3.45Å; R134-E138 WeakPolarHBondContact O-CG 3.33Å; R134-E138 PolarHBondContact O-N 2.84Å
135	R	97.9	Very high	97.5	Very high	213 Å²	213	67.4 Å²	67.4	80%	0.804	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-44.5	178.7	177.4	-179.7	154	177.7	-4.6	112.8	N133 K139	N133-R135 PolarHBondContact O-N 3Å; N133-R135 VanDerWaalsContact O-N 3.13Å; R135-K139 WeakPolarHBondContact O-CB 3.48Å; R135-K139 PolarHBondContact O-N 3Å; R135-K139 VanDerWaalsContact O-N 3.09Å
136	E	98.3	Very high	97.5	Very high	54 Å²	54	68.4 Å²	68.4	25%	0.252	32%	0.315	S	S	.	.	H	α-helix	trans	-73.3	-33.2	177.7	179.2	60.8	-162.1	0	0	111.5	L129 N133 R140	L129-E136 HydrophobicContact CD1-CG 4.05Å; L129-E136 HydrophobicContact CD2-CB 4.32Å; L129-E136 HydrophobicContact CD2-CG 4.04Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 PolarHBondContact O-N 3.09Å; N133-E136 PolarHBondContact OD1-N 3.33Å; E136-R140 WeakPolarHBondContact O-CG 3.29Å; E136-R140 PolarHBondContact O-N 3.05Å; E136-R140 IonicContact OE1-CZ 3.73Å; E136-R140 IonicContact OE1-NE 2.99Å; E136-R140 PolarHBondContact OE1-NE 2.89Å; E136-R140 IonicContact OE1-NH2 3.54Å
137	Y	98	Very high	97.4	Very high	4 Å²	4	72.1 Å²	72.1	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-55.5	170	172.5	-98.1	0	0	0	111.2	F77 P79 A126 Y130 N133 R134 K139 R140 V141	F77-Y137 HydrophobicContact CD1-CD2 4.2Å; F77-Y137 HydrophobicContact CD1-CE2 4.25Å; F77-Y137 AromaticContact CE1-CD2 3.88Å; F77-Y137 HydrophobicContact CE1-CD2 3.88Å; F77-Y137 HydrophobicContact CE1-CE2 4.28Å; P79-Y137 HydrophobicContact CG-CE2 4.38Å; A126-Y137 HydrophobicContact CB-CE2 4.34Å; Y130-Y137 AromaticContact CD2-CD1 3.94Å; Y130-Y137 HydrophobicContact CD2-CD1 3.94Å; Y130-Y137 HydrophobicContact CD2-CD2 4.46Å; Y130-Y137 AromaticContact CD2-CE1 3.65Å; Y130-Y137 HydrophobicContact CD2-CE1 3.65Å; Y130-Y137 HydrophobicContact CD2-CE2 4.22Å; Y130-Y137 HydrophobicContact CD2-CG 4.34Å; Y130-Y137 AromaticContact CD2-CZ 3.8Å; Y130-Y137 HydrophobicContact CE2-CE1 4.25Å; N133-Y137 PolarHBondContact O-N 3.14Å; R134-Y137 WeakPolarHBondContact O-CB 3.28Å; R134-Y137 PolarHBondContact O-N 3.13Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.37Å; Y137-R140 PolarHBondContact O-N 2.84Å; Y137-V141 HydrophobicContact CD1-CG2 4.1Å; Y137-V141 HydrophobicContact CD2-CG2 4.34Å; Y137-V141 HydrophobicContact CE1-CG2 3.64Å; Y137-V141 HydrophobicContact CE2-CG2 3.89Å; Y137-V141 HydrophobicContact CG-CG2 4.43Å; Y137-V141 WeakPolarHBondContact O-CG2 3.35Å; Y137-V141 PolarHBondContact O-N 2.89Å
138	E	97.7	Very high	97.4	Very high	85 Å²	85	72.1 Å²	72.1	40%	0.397	33%	0.332	S	S	.	.	H	α-helix	trans	-59.1	-41.1	-179.4	-73.5	169.8	-174	0	0	111.8	A47 R134 R140 V141 R142	A47-E138 HydrophobicContact CB-CB 4.44Å; A47-E138 HydrophobicContact CB-CG 3.94Å; R134-E138 WeakPolarHBondContact CD-OE1 3.43Å; R134-E138 HydrophobicContact CG-CG 4.38Å; R134-E138 VanDerWaalsContact CG-OE1 3.26Å; R134-E138 WeakPolarHBondContact CG-OE1 3.45Å; R134-E138 WeakPolarHBondContact O-CG 3.33Å; R134-E138 PolarHBondContact O-N 2.84Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 3.3Å; E138-V141 PolarHBondContact O-N 3.18Å; E138-R142 WeakPolarHBondContact O-CB 3.16Å; E138-R142 VanDerWaalsContact O-CG 3.3Å; E138-R142 WeakPolarHBondContact O-CG 3.41Å; E138-R142 PolarHBondContact O-N 3.17Å
139	K	98.2	Very high	97.2	Very high	142 Å²	142	73.6 Å²	73.6	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-57.1	-40.9	175.3	-176.2	-174.6	173.9	-168.3	0	112.3	R135 Y137 A143	R135-K139 WeakPolarHBondContact O-CB 3.48Å; R135-K139 PolarHBondContact O-N 3Å; R135-K139 VanDerWaalsContact O-N 3.09Å; Y137-K139 VanDerWaalsContact C-N 3.3Å; Y137-K139 PolarHBondContact O-N 3.37Å; K139-A143 PolarHBondContact O-N 3.32Å
140	R	98.2	Very high	96.8	Very high	81 Å²	81	81.3 Å²	81.3	31%	0.306	36%	0.362	S	S	.	.	H	α-helix	trans	-73.9	-38.4	178.8	-69.7	176.8	-179.9	-139.3	2.6	112.3	F77 M125 E136 Y137 E138 R142 A143 C144	F77-R140 HydrophobicContact CD1-CB 3.55Å; F77-R140 HydrophobicContact CE1-CB 3.74Å; F77-R140 HydrophobicContact CE1-CG 4.36Å; F77-R140 HydrophobicContact CG-CB 4.05Å; F77-R140 HydrophobicContact CZ-CB 4.39Å; M125-R140 VanDerWaalsContact CE-NH2 3.32Å; M125-R140 PolarHBondContact SD-NH1 2.82Å; E136-R140 WeakPolarHBondContact O-CG 3.29Å; E136-R140 PolarHBondContact O-N 3.05Å; E136-R140 IonicContact OE1-CZ 3.73Å; E136-R140 IonicContact OE1-NE 2.99Å; E136-R140 PolarHBondContact OE1-NE 2.89Å; E136-R140 IonicContact OE1-NH2 3.54Å; Y137-R140 PolarHBondContact O-N 2.84Å; E138-R140 VanDerWaalsContact C-N 3.27Å; E138-R140 PolarHBondContact O-N 3.3Å; R140-R142 VanDerWaalsContact C-N 3.34Å; R140-A143 WeakPolarHBondContact O-CB 3.26Å; R140-A143 PolarHBondContact O-N 2.97Å; R140-C144 PolarHBondContact O-N 3.21Å
141	V	98.2	Very high	95.6	Very high	0 Å²	0	81.8 Å²	81.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-45.2	173.2	177.3	0	0	0	0	110.5	A47 F48 F77 Y137 E138 A143 C144 V145	A47-V141 HydrophobicContact CB-CB 4Å; A47-V141 HydrophobicContact CB-CG1 3.78Å; A47-V141 HydrophobicContact CB-CG2 4.4Å; A47-V141 VanDerWaalsContact O-CG1 3.28Å; A47-V141 WeakPolarHBondContact O-CG1 3.39Å; F48-V141 HydrophobicContact CD1-CG1 3.49Å; F48-V141 VanDerWaalsContact CD1-CG1 3.49Å; F48-V141 HydrophobicContact CD2-CG1 3.98Å; F48-V141 HydrophobicContact CE1-CG1 3.46Å; F48-V141 VanDerWaalsContact CE1-CG1 3.46Å; F48-V141 HydrophobicContact CE1-CG2 4.36Å; F48-V141 HydrophobicContact CE2-CG1 3.95Å; F48-V141 HydrophobicContact CE2-CG2 4.34Å; F48-V141 HydrophobicContact CG-CG1 3.74Å; F48-V141 HydrophobicContact CZ-CB 4.49Å; F48-V141 HydrophobicContact CZ-CG1 3.67Å; F48-V141 HydrophobicContact CZ-CG2 3.92Å; F77-V141 HydrophobicContact CD1-CG2 4.27Å; Y137-V141 HydrophobicContact CD1-CG2 4.1Å; Y137-V141 HydrophobicContact CD2-CG2 4.34Å; Y137-V141 HydrophobicContact CE1-CG2 3.64Å; Y137-V141 HydrophobicContact CE2-CG2 3.89Å; Y137-V141 HydrophobicContact CG-CG2 4.43Å; Y137-V141 WeakPolarHBondContact O-CG2 3.35Å; Y137-V141 PolarHBondContact O-N 2.89Å; E138-V141 PolarHBondContact O-N 3.18Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 2.99Å; V141-C144 CarbonylContact O-C 3.45Å; V141-C144 WeakPolarHBondContact O-CA 3.45Å; V141-C144 WeakPolarHBondContact O-CB 3.17Å; V141-C144 PolarHBondContact O-N 3.2Å; V141-V145 HydrophobicContact CG1-CG2 4.47Å; V141-V145 PolarHBondContact O-N 3.24Å
142	R	97.8	Very high	93.9	Very high	89 Å²	89	85.1 Å²	85.1	34%	0.336	38%	0.375	S	S	.	.	H	α-helix	trans	-61.2	-34.3	177.9	-70.4	-63.7	-174.1	-179.8	0	112.7	T46 A47 E49 E138 R140 C144 V145 E146	T46-R142 PolarHBondContact O-NH2 3.13Å; A47-R142 WeakPolarHBondContact O-CD 3.43Å; A47-R142 PolarHBondContact O-NE 3.19Å; E49-R142 PolarHBondContact O-NH1 3.33Å; E49-R142 IonicContact OE2-NH2 3.72Å; E138-R142 WeakPolarHBondContact O-CB 3.16Å; E138-R142 VanDerWaalsContact O-CG 3.3Å; E138-R142 WeakPolarHBondContact O-CG 3.41Å; E138-R142 PolarHBondContact O-N 3.17Å; R140-R142 VanDerWaalsContact C-N 3.34Å; R142-C144 VanDerWaalsContact C-N 3.34Å; R142-C144 PolarHBondContact O-N 3.32Å; R142-V145 WeakPolarHBondContact O-CB 3.4Å; R142-V145 PolarHBondContact O-N 3.03Å; R142-E146 WeakPolarHBondContact O-CG 3.47Å; R142-E146 PolarHBondContact O-N 3.06Å
143	A	97.8	Very high	92	Very high	48 Å²	48	85.3 Å²	85.3	40%	0.397	38%	0.38	S	S	.	.	H	α-helix	trans	-63.2	-38.9	171.3	0	0	0	0	0	112.5	K139 R140 V141 E147	K139-A143 PolarHBondContact O-N 3.32Å; R140-A143 WeakPolarHBondContact O-CB 3.26Å; R140-A143 PolarHBondContact O-N 2.97Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 2.99Å; A143-E147 WeakPolarHBondContact O-CB 3.39Å; A143-E147 PolarHBondContact O-N 3.01Å
144	C	97.3	Very high	89.5	Confident	8 Å²	8	91.5 Å²	91.5	5%	0.054	42%	0.42	C	S	.	.	H	α-helix	trans	-68.1	-36.5	173	-67.9	0	0	0	0	112.5	R140 V141 R142 E147 S148	R140-C144 PolarHBondContact O-N 3.21Å; V141-C144 CarbonylContact O-C 3.45Å; V141-C144 WeakPolarHBondContact O-CA 3.45Å; V141-C144 WeakPolarHBondContact O-CB 3.17Å; V141-C144 PolarHBondContact O-N 3.2Å; R142-C144 VanDerWaalsContact C-N 3.34Å; R142-C144 PolarHBondContact O-N 3.32Å; C144-E147 PolarHBondContact O-N 2.97Å; C144-S148 WeakPolarHBondContact O-CB 3.47Å; C144-S148 PolarHBondContact O-N 3.42Å
145	V	97.8	Very high	89.2	Confident	3 Å²	3	90.9 Å²	90.9	2%	0.018	42%	0.421	C	S	.	.	H	α-helix	trans	-58.4	-51.9	173	166.3	0	0	0	0	110.2	F53 V141 R142 E147 S148 W149	F53-V145 HydrophobicContact CZ-CG2 3.9Å; V141-V145 HydrophobicContact CG1-CG2 4.47Å; V141-V145 PolarHBondContact O-N 3.24Å; R142-V145 WeakPolarHBondContact O-CB 3.4Å; R142-V145 PolarHBondContact O-N 3.03Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.13Å; V145-S148 WeakPolarHBondContact O-CB 3.34Å; V145-S148 PolarHBondContact O-N 3.32Å; V145-S148 PolarHBondContact O-OG 3.12Å; V145-W149 HydrophobicContact CG1-CZ2 3.78Å; V145-W149 PolarHBondContact O-NE1 3.45Å
146	E	97.1	Very high	88.7	Confident	111 Å²	111	84.4 Å²	84.4	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-41.9	178.1	-70.2	173	-167.7	0	0	112	R142 S148 W149 Y150	R142-E146 WeakPolarHBondContact O-CG 3.47Å; R142-E146 PolarHBondContact O-N 3.06Å; E146-S148 VanDerWaalsContact C-N 3.29Å; E146-S148 PolarHBondContact O-N 2.86Å; E146-W149 HydrophobicContact CB-CZ3 4.45Å; E146-W149 HydrophobicContact CG-CH2 4.22Å; E146-W149 HydrophobicContact CG-CZ3 4.05Å; E146-W149 PolarHBondContact O-N 3.39Å; E146-Y150 WeakPolarHBondContact O-CD2 3.42Å; E146-Y150 VanDerWaalsContact O-CE2 3.32Å; E146-Y150 WeakPolarHBondContact O-CE2 3.39Å
147	E	96.5	Very high	88.2	Confident	78 Å²	78	86.1 Å²	86.1	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-34.5	179.3	-164.5	165.7	169.3	0	0	111.9	K75 A143 C144 V145 W149 Y150	K75-E147 VanDerWaalsContact CD-CD 3.44Å; K75-E147 VanDerWaalsContact CD-OE1 3.23Å; K75-E147 WeakPolarHBondContact CD-OE1 3.41Å; K75-E147 WeakPolarHBondContact CD-OE2 3.48Å; K75-E147 IonicContact NZ-OE1 3.61Å; K75-E147 PolarHBondContact NZ-OE1 3.27Å; K75-E147 VanDerWaalsContact NZ-OE1 3.15Å; K75-E147 IonicContact NZ-OE2 3.15Å; K75-E147 PolarHBondContact NZ-OE2 3.18Å; A143-E147 WeakPolarHBondContact O-CB 3.39Å; A143-E147 PolarHBondContact O-N 3.01Å; C144-E147 PolarHBondContact O-N 2.97Å; V145-E147 VanDerWaalsContact C-N 3.33Å; V145-E147 PolarHBondContact O-N 3.13Å; E147-W149 PolarHBondContact O-N 3.46Å; E147-W149 VanDerWaalsContact O-N 3.14Å; E147-Y150 PolarHBondContact O-N 2.91Å; E147-Y150 VanDerWaalsContact O-N 3.16Å
148	S	96.2	Very high	87.6	Confident	5 Å²	5	90.9 Å²	90.9	4%	0.035	43%	0.433	C	S	.	.	H	α-helix	trans	-61.9	-21.4	178.8	80.5	0	0	0	0	114.1	T52 C144 V145 E146	T52-S148 PolarHBondContact N-OG 2.79Å; T52-S148 WeakPolarHBondContact O-CB 3.19Å; C144-S148 WeakPolarHBondContact O-CB 3.47Å; C144-S148 PolarHBondContact O-N 3.42Å; V145-S148 WeakPolarHBondContact O-CB 3.34Å; V145-S148 PolarHBondContact O-N 3.32Å; V145-S148 PolarHBondContact O-OG 3.12Å; E146-S148 VanDerWaalsContact C-N 3.29Å; E146-S148 PolarHBondContact O-N 2.86Å
149	W	94.1	Very high	87	Confident	134 Å²	134	91.3 Å²	91.3	51%	0.508	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-22.1	179.5	-55.1	-23.5	0	0	0	113.7	D50 V145 E146 E147	D50-W149 HydrophobicContact CB-CZ2 4.39Å; D50-W149 PolarHBondContact O-NE1 3.01Å; V145-W149 HydrophobicContact CG1-CZ2 3.78Å; V145-W149 PolarHBondContact O-NE1 3.45Å; E146-W149 HydrophobicContact CB-CZ3 4.45Å; E146-W149 HydrophobicContact CG-CH2 4.22Å; E146-W149 HydrophobicContact CG-CZ3 4.05Å; E146-W149 PolarHBondContact O-N 3.39Å; E147-W149 PolarHBondContact O-N 3.46Å; E147-W149 VanDerWaalsContact O-N 3.14Å
150	Y	88.3	Confident	86.3	Confident	184 Å²	184	87.9 Å²	87.9	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-6.3	-174.6	-58.9	-76.9	0	0	0	113.3	E146 E147 E152	E146-Y150 WeakPolarHBondContact O-CD2 3.42Å; E146-Y150 VanDerWaalsContact O-CE2 3.32Å; E146-Y150 WeakPolarHBondContact O-CE2 3.39Å; E147-Y150 PolarHBondContact O-N 2.91Å; E147-Y150 VanDerWaalsContact O-N 3.16Å; Y150-E152 PolarHBondContact O-N 3.28Å
151	E	72.3	Confident	85.4	Confident	55 Å²	55	88.4 Å²	88.4	26%	0.257	43%	0.431	S	S	.	.			trans	-68.5	105.7	174.9	-72.1	-178.8	176.6	0	0	109	K54 S74 K75	K54-E151 WeakPolarHBondContact CE-O 3.27Å; K54-E151 PolarHBondContact NZ-O 2.88Å; S74-E151 WeakPolarHBondContact CA-OE1 3.33Å; S74-E151 WeakPolarHBondContact CA-OE2 3.35Å; S74-E151 WeakPolarHBondContact CB-OE2 3.32Å; S74-E151 PolarHBondContact OG-OE2 3.31Å; K75-E151 PolarHBondContact N-OE1 2.81Å
152	E	60.5	Low	84.4	Confident	173 Å²	173	95.2 Å²	95.2	81%	0.808	46%	0.464	S	S	*	.			trans	-64.2	150.4	174.2	-70.9	-174.3	165.8	0	0	110.7	K54 Y150 V154	K54-E152 VanDerWaalsContact NZ-C 3.34Å; K54-E152 PolarHBondContact NZ-O 2.9Å; Y150-E152 PolarHBondContact O-N 3.28Å; E152-V154 PolarHBondContact O-N 2.85Å; E152-V154 VanDerWaalsContact O-N 3.15Å
153	D	56.9	Low	83.3	Confident	142 Å²	142	95.8 Å²	95.8	76%	0.759	48%	0.475	S	S	*	.			trans	-70	105.6	168.8	-66	-37.5	0	0	0	107.8	K54	K54-D153 WeakPolarHBondContact CE-OD1 3.4Å; K54-D153 IonicContact NZ-OD1 2.79Å; K54-D153 PolarHBondContact NZ-OD1 3.16Å
154	V	44.9	Very low	82	Confident	208 Å²	208	100.1 Å²	100.1	100%	1.261	48%	0.482	S	S	*	.			trans	-70.4	0	176.4	-168.1	0	0	0	0	110.6	E152	E152-V154 PolarHBondContact O-N 2.85Å; E152-V154 VanDerWaalsContact O-N 3.15Å

Retrieved 154 of 154 residues in 287.7 ms (Link to these results)

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