G4VQ51_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 31

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession G4VQ51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 128 aa.

						>G4VQ51_SCHMA|G4VQ51
MQSRSRPQNNLKNESRNRFQIELEFVQCLANPSYLNFLAQQGWFEKPNFIKYLKYLLYWKDPAYSRYLIYPYCLHLLDLLQHAEFRSALARGQICRMIDDQILLHWQHYMRKRAALIAKHVEETIQPT
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	59.5	Low	247 Å²	247	143.2 Å²	143.2	100%	1.217	71%	0.708	S	S	*	*				0	85.5	0	-73.9	173.4	139.7	0	0	109
2	Q	43	Very low	61.2	Low	197 Å²	197	142.9 Å²	142.9	92%	0.921	70%	0.7	S	S	*	*			trans	-82.6	124.5	176.5	-88	151.5	12.1	0	0	110	R4	Q2-R4 PolarHBondContact O-N 3.37Å
3	S	52.9	Low	62.9	Low	102 Å²	102	137.8 Å²	137.8	71%	0.713	68%	0.677	S	S	*	*			trans	-52.2	109.2	-178.3	38.9	0	0	0	0	113	S5	S3-S5 PolarHBondContact O-N 3.36Å
4	R	51.4	Low	64.5	Low	248 Å²	248	136.6 Å²	136.6	94%	0.936	67%	0.669	S	S	*	*			trans	-72.1	41.9	166.6	-97	-174.6	175.1	-174.7	-0.3	112.5	Q2 R6	Q2-R4 PolarHBondContact O-N 3.37Å; R4-R6 PolarHBondContact O-N 3.47Å
5	S	54.4	Low	66	Low	95 Å²	95	131.2 Å²	131.2	66%	0.664	65%	0.651	S	S	*	*			trans	-82.3	14.5	179.2	-55.6	0	0	0	0	114	S3	S3-S5 PolarHBondContact O-N 3.36Å
6	R	54.1	Low	67.5	Low	206 Å²	206	134 Å²	134	78%	0.777	65%	0.652	S	S	*	*			trans	-130.9	80.5	-171.5	-146	177.3	-167.2	-169.8	2.2	109.4	R4	R4-R6 PolarHBondContact O-N 3.47Å
7	P	59.7	Low	68.9	Low	83 Å²	83	131.4 Å²	131.4	54%	0.539	64%	0.641	S	S	.	*	S	Bend		-140.1	-22.2	109.6	17.5	3	0	0	0	115.1	N9 N10 L11	P7-N9 PolarHBondContact O-N 2.91Å; P7-N10 PolarHBondContact O-N 3.24Å; P7-L11 PolarHBondContact O-N 3.29Å
8	Q	62.4	Low	70.2	Confident	131 Å²	131	131.8 Å²	131.8	61%	0.612	64%	0.635	S	S	*	*	H	α-helix	trans	-67	-34.7	-172.2	-69	-68.7	-3.8	0	0	113.3	K12	Q8-K12 WeakPolarHBondContact O-CG 3.48Å; Q8-K12 PolarHBondContact O-N 3.2Å
9	N	74.3	Confident	71.5	Confident	98 Å²	98	128 Å²	128	52%	0.524	62%	0.615	S	S	.	*	H	α-helix	trans	-70.2	-34.8	-178.4	-150	17.2	0	0	0	111.8	P7 N13	P7-N9 PolarHBondContact O-N 2.91Å; N9-N13 WeakPolarHBondContact O-CB 3.36Å; N9-N13 PolarHBondContact O-N 3.37Å; N9-N13 PolarHBondContact O-ND2 3.43Å
10	N	78.9	Confident	72.7	Confident	74 Å²	74	126.5 Å²	126.5	40%	0.396	61%	0.607	S	S	.	*	H	α-helix	trans	-65.7	-48.3	177.8	-74.3	0.9	0	0	0	111.3	P7 K12 N13 E14	P7-N10 PolarHBondContact O-N 3.24Å; N10-K12 VanDerWaalsContact C-N 3.32Å; N10-K12 PolarHBondContact O-N 3.21Å; N10-N13 PolarHBondContact O-N 2.98Å; N10-N13 VanDerWaalsContact O-N 3.12Å; N10-E14 WeakPolarHBondContact O-CG 3.14Å; N10-E14 PolarHBondContact O-N 3.41Å
11	L	79.8	Confident	73.9	Confident	94 Å²	94	124.7 Å²	124.7	49%	0.492	60%	0.6	S	S	.	*	H	α-helix	trans	-60.9	-40.3	179.3	-67.8	171.1	0	0	0	112.5	P7 E14 S15	P7-L11 PolarHBondContact O-N 3.29Å; L11-E14 PolarHBondContact O-N 3.19Å; L11-S15 WeakPolarHBondContact O-CB 3.39Å; L11-S15 PolarHBondContact O-N 3.01Å; L11-S15 PolarHBondContact O-OG 3.04Å
12	K	80.3	Confident	76.4	Confident	140 Å²	140	113.3 Å²	113.3	61%	0.609	54%	0.544	S	S	*	.	H	α-helix	trans	-63.6	-42.9	175	-73.8	-178.7	-179.4	-175.4	0	111.4	Q8 N10 S15 R16	Q8-K12 WeakPolarHBondContact O-CG 3.48Å; Q8-K12 PolarHBondContact O-N 3.2Å; N10-K12 VanDerWaalsContact C-N 3.32Å; N10-K12 PolarHBondContact O-N 3.21Å; K12-S15 PolarHBondContact O-N 3.06Å; K12-R16 WeakPolarHBondContact O-CB 3.41Å; K12-R16 PolarHBondContact O-N 3.39Å
13	N	83.8	Confident	79	Confident	76 Å²	76	105.2 Å²	105.2	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-41.7	177.6	-71.1	-17.9	0	0	0	111.9	N9 N10 R16 N17	N9-N13 WeakPolarHBondContact O-CB 3.36Å; N9-N13 PolarHBondContact O-N 3.37Å; N9-N13 PolarHBondContact O-ND2 3.43Å; N10-N13 PolarHBondContact O-N 2.98Å; N10-N13 VanDerWaalsContact O-N 3.12Å; N13-R16 PolarHBondContact O-N 3.48Å; N13-N17 VanDerWaalsContact O-CB 3.28Å; N13-N17 WeakPolarHBondContact O-CB 3.4Å; N13-N17 PolarHBondContact O-N 2.85Å
14	E	85.2	Confident	81	Confident	121 Å²	121	105 Å²	105	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-44.4	175.7	-73.3	172.4	171.7	0	0	111.7	N10 L11 N17 R18	N10-E14 WeakPolarHBondContact O-CG 3.14Å; N10-E14 PolarHBondContact O-N 3.41Å; L11-E14 PolarHBondContact O-N 3.19Å; E14-N17 PolarHBondContact O-N 2.96Å; E14-R18 WeakPolarHBondContact O-CB 3.47Å; E14-R18 PolarHBondContact O-N 3.36Å
15	S	87.2	Confident	83.2	Confident	56 Å²	56	94.8 Å²	94.8	39%	0.392	46%	0.457	S	S	.	.	H	α-helix	trans	-64.2	-41.7	177.5	-59.2	0	0	0	0	111.7	L11 K12 F19	L11-S15 WeakPolarHBondContact O-CB 3.39Å; L11-S15 PolarHBondContact O-N 3.01Å; L11-S15 PolarHBondContact O-OG 3.04Å; K12-S15 PolarHBondContact O-N 3.06Å; S15-F19 WeakPolarHBondContact O-CB 3.23Å; S15-F19 PolarHBondContact O-N 3.02Å
16	R	88.8	Confident	85.3	Confident	176 Å²	176	90.3 Å²	90.3	66%	0.664	43%	0.425	S	S	*	.	H	α-helix	trans	-63.4	-44.2	174.5	-177.5	-175	-66.8	-172.4	-1.8	111.4	K12 N13 F19 Q20	K12-R16 WeakPolarHBondContact O-CB 3.41Å; K12-R16 PolarHBondContact O-N 3.39Å; N13-R16 PolarHBondContact O-N 3.48Å; R16-F19 PolarHBondContact O-N 3.22Å; R16-Q20 PolarHBondContact O-N 3.23Å
17	N	91.7	Very high	87.3	Confident	89 Å²	89	81.7 Å²	81.7	48%	0.476	39%	0.394	S	S	.	.	H	α-helix	trans	-63.9	-45.5	179.4	-169.7	21.6	0	0	0	110.9	N13 E14 F19 Q20 I21	N13-N17 VanDerWaalsContact O-CB 3.28Å; N13-N17 WeakPolarHBondContact O-CB 3.4Å; N13-N17 PolarHBondContact O-N 2.85Å; E14-N17 PolarHBondContact O-N 2.96Å; N17-F19 VanDerWaalsContact C-N 3.33Å; N17-F19 PolarHBondContact O-N 2.82Å; N17-Q20 PolarHBondContact O-N 3.49Å; N17-I21 WeakPolarHBondContact O-CB 3.36Å; N17-I21 VanDerWaalsContact O-CG1 3.26Å; N17-I21 WeakPolarHBondContact O-CG1 3.3Å; N17-I21 PolarHBondContact O-N 3.26Å; N17-I21 WeakPolarHBondContact OD1-CD1 3.29Å
18	R	93.2	Very high	89.1	Confident	140 Å²	140	80.6 Å²	80.6	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-56.6	-48.2	174	-176.1	-175.2	68	-145.2	-2.6	111.4	E14 Q20 I21 E22	E14-R18 WeakPolarHBondContact O-CB 3.47Å; E14-R18 PolarHBondContact O-N 3.36Å; R18-Q20 VanDerWaalsContact C-N 3.32Å; R18-Q20 PolarHBondContact O-N 3.12Å; R18-I21 PolarHBondContact O-N 3.24Å; R18-E22 WeakPolarHBondContact CD-OE1 3.42Å; R18-E22 HydrophobicContact CG-CG 4.3Å; R18-E22 VanDerWaalsContact CG-OE1 3.25Å; R18-E22 WeakPolarHBondContact CG-OE1 3.32Å; R18-E22 IonicContact NE-OE1 3.86Å; R18-E22 WeakPolarHBondContact O-CB 3.48Å; R18-E22 VanDerWaalsContact O-CG 3.31Å; R18-E22 WeakPolarHBondContact O-CG 3.32Å; R18-E22 PolarHBondContact O-N 3.33Å
19	F	95.1	Very high	90.6	Very high	59 Å²	59	74.3 Å²	74.3	26%	0.259	36%	0.358	S	S	.	.	H	α-helix	trans	-58	-45.4	178.3	179.6	-95.3	0	0	0	112	S15 R16 N17 E22 L23 W59 Y64 Y67	S15-F19 WeakPolarHBondContact O-CB 3.23Å; S15-F19 PolarHBondContact O-N 3.02Å; R16-F19 PolarHBondContact O-N 3.22Å; N17-F19 VanDerWaalsContact C-N 3.33Å; N17-F19 PolarHBondContact O-N 2.82Å; F19-E22 PolarHBondContact O-N 3.41Å; F19-L23 HydrophobicContact CE1-CD2 4.27Å; F19-L23 VanDerWaalsContact O-CB 3.23Å; F19-L23 WeakPolarHBondContact O-CB 3.4Å; F19-L23 PolarHBondContact O-N 2.98Å; F19-W59 AromaticContact CD2-CH2 3.81Å; F19-W59 HydrophobicContact CD2-CH2 3.81Å; F19-W59 HydrophobicContact CD2-CZ2 4.14Å; F19-W59 HydrophobicContact CE1-CH2 4.07Å; F19-W59 AromaticContact CE2-CH2 3.22Å; F19-W59 HydrophobicContact CE2-CH2 3.22Å; F19-W59 AromaticContact CE2-CZ2 3.95Å; F19-W59 HydrophobicContact CE2-CZ2 3.95Å; F19-W59 AromaticContact CE2-CZ3 3.83Å; F19-W59 HydrophobicContact CE2-CZ3 3.83Å; F19-W59 HydrophobicContact CG-CH2 4.44Å; F19-W59 AromaticContact CZ-CH2 3.39Å; F19-W59 HydrophobicContact CZ-CH2 3.39Å; F19-W59 HydrophobicContact CZ-CZ2 4.46Å; F19-W59 AromaticContact CZ-CZ3 3.82Å; F19-W59 HydrophobicContact CZ-CZ3 3.82Å; F19-Y64 AromaticContact CE2-CD1 3.97Å; F19-Y64 HydrophobicContact CE2-CD1 3.97Å; F19-Y67 HydrophobicContact CE1-CD2 4.49Å; F19-Y67 HydrophobicContact CE1-CG 4.47Å; F19-Y67 AromaticContact CZ-CD2 3.72Å; F19-Y67 HydrophobicContact CZ-CD2 3.72Å; F19-Y67 HydrophobicContact CZ-CE2 4.06Å; F19-Y67 HydrophobicContact CZ-CG 4.08Å
20	Q	95.4	Very high	91.6	Very high	98 Å²	98	70.6 Å²	70.6	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-45.5	178.8	-177.7	172	5.3	0	0	112.3	R16 N17 R18 E22 L23 E24	R16-Q20 PolarHBondContact O-N 3.23Å; N17-Q20 PolarHBondContact O-N 3.49Å; R18-Q20 VanDerWaalsContact C-N 3.32Å; R18-Q20 PolarHBondContact O-N 3.12Å; Q20-E22 VanDerWaalsContact C-N 3.35Å; Q20-E22 PolarHBondContact O-N 3.37Å; Q20-L23 WeakPolarHBondContact O-CB 3.48Å; Q20-L23 PolarHBondContact O-N 3.45Å; Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.38Å; Q20-E24 PolarHBondContact NE2-OE1 3.05Å; Q20-E24 WeakPolarHBondContact O-CB 3.25Å; Q20-E24 WeakPolarHBondContact O-CG 3.44Å; Q20-E24 PolarHBondContact O-N 3.39Å
21	I	96.1	Very high	92.3	Very high	89 Å²	89	71 Å²	71	46%	0.456	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-45.8	177.6	-69	165.3	0	0	0	110.6	N17 R18 L23 E24 F25	N17-I21 WeakPolarHBondContact O-CB 3.36Å; N17-I21 VanDerWaalsContact O-CG1 3.26Å; N17-I21 WeakPolarHBondContact O-CG1 3.3Å; N17-I21 PolarHBondContact O-N 3.26Å; N17-I21 WeakPolarHBondContact OD1-CD1 3.29Å; R18-I21 PolarHBondContact O-N 3.24Å; I21-L23 VanDerWaalsContact C-N 3.34Å; I21-E24 PolarHBondContact O-N 3.27Å; I21-F25 WeakPolarHBondContact O-CB 3.31Å; I21-F25 PolarHBondContact O-N 3.36Å
22	E	96.7	Very high	92.9	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-41.4	177.2	-72.9	179.6	-166.3	0	0	111.4	R18 F19 Q20 F25 V26 Y55 L56 Y58 W59	R18-E22 WeakPolarHBondContact CD-OE1 3.42Å; R18-E22 HydrophobicContact CG-CG 4.3Å; R18-E22 VanDerWaalsContact CG-OE1 3.25Å; R18-E22 WeakPolarHBondContact CG-OE1 3.32Å; R18-E22 IonicContact NE-OE1 3.86Å; R18-E22 WeakPolarHBondContact O-CB 3.48Å; R18-E22 VanDerWaalsContact O-CG 3.31Å; R18-E22 WeakPolarHBondContact O-CG 3.32Å; R18-E22 PolarHBondContact O-N 3.33Å; F19-E22 PolarHBondContact O-N 3.41Å; Q20-E22 VanDerWaalsContact C-N 3.35Å; Q20-E22 PolarHBondContact O-N 3.37Å; E22-F25 PolarHBondContact O-N 2.97Å; E22-V26 WeakPolarHBondContact O-CB 3.47Å; E22-V26 VanDerWaalsContact O-CG2 3.28Å; E22-V26 WeakPolarHBondContact O-CG2 3.26Å; E22-V26 PolarHBondContact O-N 3.07Å; E22-Y55 VanDerWaalsContact OE1-CE1 3.32Å; E22-Y55 WeakPolarHBondContact OE1-CE1 3.38Å; E22-Y55 PolarHBondContact OE1-OH 3.03Å; E22-Y55 PolarHBondContact OE2-OH 3.28Å; E22-L56 HydrophobicContact CB-CD2 4.29Å; E22-L56 HydrophobicContact CG-CD2 4.24Å; E22-Y58 VanDerWaalsContact OE2-CE1 3.31Å; E22-Y58 WeakPolarHBondContact OE2-CE1 3.31Å; E22-Y58 PolarHBondContact OE2-OH 3.09Å; E22-W59 HydrophobicContact CB-CZ2 4Å
23	L	96.9	Very high	93.5	Very high	26 Å²	26	63.5 Å²	63.5	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-47.6	177.9	177.8	60.6	0	0	0	112	F19 Q20 I21 Q27 W59 L68	F19-L23 HydrophobicContact CE1-CD2 4.27Å; F19-L23 VanDerWaalsContact O-CB 3.23Å; F19-L23 WeakPolarHBondContact O-CB 3.4Å; F19-L23 PolarHBondContact O-N 2.98Å; Q20-L23 WeakPolarHBondContact O-CB 3.48Å; Q20-L23 PolarHBondContact O-N 3.45Å; I21-L23 VanDerWaalsContact C-N 3.34Å; L23-Q27 WeakPolarHBondContact O-CB 3.48Å; L23-Q27 VanDerWaalsContact O-CG 3.29Å; L23-Q27 WeakPolarHBondContact O-CG 3.4Å; L23-Q27 PolarHBondContact O-N 3.01Å; L23-Q27 VanDerWaalsContact O-N 3.17Å; L23-Q27 PolarHBondContact O-NE2 2.9Å; L23-Q27 VanDerWaalsContact O-NE2 3.17Å; L23-W59 HydrophobicContact CB-CH2 3.56Å; L23-W59 HydrophobicContact CB-CZ2 3.87Å; L23-W59 HydrophobicContact CB-CZ3 4.37Å; L23-W59 HydrophobicContact CD1-CE3 4.27Å; L23-W59 HydrophobicContact CD1-CH2 3.65Å; L23-W59 HydrophobicContact CD1-CZ2 4.45Å; L23-W59 HydrophobicContact CD1-CZ3 3.55Å; L23-W59 HydrophobicContact CG-CH2 4.1Å; L23-W59 HydrophobicContact CG-CZ3 4.47Å; L23-L68 HydrophobicContact CD1-CD2 3.67Å; L23-L68 HydrophobicContact CD1-CG 4.42Å
24	E	96.6	Very high	94	Very high	98 Å²	98	63.3 Å²	63.3	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-46.1	177	-72.2	171.6	-168.2	0	0	110.3	Q20 I21 V26 Q27 C28	Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.38Å; Q20-E24 PolarHBondContact NE2-OE1 3.05Å; Q20-E24 WeakPolarHBondContact O-CB 3.25Å; Q20-E24 WeakPolarHBondContact O-CG 3.44Å; Q20-E24 PolarHBondContact O-N 3.39Å; I21-E24 PolarHBondContact O-N 3.27Å; E24-V26 PolarHBondContact O-N 3.36Å; E24-Q27 PolarHBondContact O-N 3.35Å; E24-C28 PolarHBondContact O-N 3.41Å; E24-C28 PolarHBondContact O-SG 3.32Å
25	F	97	Very high	94.5	Very high	34 Å²	34	57.5 Å²	57.5	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-48.1	178.8	177.6	-99.3	0	0	0	112.9	I21 E22 Q27 C28 L29 Y34 F49 Y52 L53 L56	I21-F25 WeakPolarHBondContact O-CB 3.31Å; I21-F25 PolarHBondContact O-N 3.36Å; E22-F25 PolarHBondContact O-N 2.97Å; F25-Q27 VanDerWaalsContact C-N 3.28Å; F25-Q27 PolarHBondContact O-N 3.31Å; F25-C28 WeakPolarHBondContact O-CB 3.48Å; F25-C28 PolarHBondContact O-N 3Å; F25-C28 VanDerWaalsContact O-N 3.13Å; F25-L29 HydrophobicContact CE1-CD1 4.42Å; F25-L29 HydrophobicContact CE1-CD2 4.32Å; F25-L29 HydrophobicContact CZ-CD2 4.17Å; F25-L29 PolarHBondContact O-N 2.53Å; F25-Y34 HydrophobicContact CE2-CE1 4.49Å; F25-F49 AromaticContact CZ-CE2 3.93Å; F25-F49 HydrophobicContact CZ-CE2 3.93Å; F25-F49 AromaticContact CZ-CZ 3.95Å; F25-F49 HydrophobicContact CZ-CZ 3.95Å; F25-Y52 AromaticContact CD1-CE1 3.94Å; F25-Y52 HydrophobicContact CD1-CE1 3.94Å; F25-Y52 HydrophobicContact CE1-CD1 4.29Å; F25-Y52 AromaticContact CE1-CE1 3.69Å; F25-Y52 HydrophobicContact CE1-CE1 3.69Å; F25-Y52 HydrophobicContact CZ-CE1 4.26Å; F25-L53 HydrophobicContact CE1-CD2 4.47Å; F25-L56 HydrophobicContact CD1-CD1 3.55Å; F25-L56 HydrophobicContact CE1-CD1 3.43Å; F25-L56 VanDerWaalsContact CE1-CD1 3.43Å
26	V	97.3	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-42.8	178.5	168.3	0	0	0	0	110.2	E22 E24 C28 L29 L56 W59 L68 C73	E22-V26 WeakPolarHBondContact O-CB 3.47Å; E22-V26 VanDerWaalsContact O-CG2 3.28Å; E22-V26 WeakPolarHBondContact O-CG2 3.26Å; E22-V26 PolarHBondContact O-N 3.07Å; E24-V26 PolarHBondContact O-N 3.36Å; V26-C28 VanDerWaalsContact C-N 3.31Å; V26-C28 PolarHBondContact O-N 3.28Å; V26-L29 VanDerWaalsContact O-CB 3.24Å; V26-L29 WeakPolarHBondContact O-CB 3.28Å; V26-L29 PolarHBondContact O-N 3.02Å; V26-L56 HydrophobicContact CG2-CB 4.14Å; V26-L56 HydrophobicContact CG2-CD1 3.93Å; V26-L56 HydrophobicContact CG2-CD2 3.84Å; V26-L56 HydrophobicContact CG2-CG 4.18Å; V26-W59 HydrophobicContact CG1-CG 4.41Å; V26-W59 HydrophobicContact CG2-CG 4.13Å; V26-L68 HydrophobicContact CG1-CD2 4.01Å; V26-C73 HydrophobicContact CG1-CB 4.31Å; V26-C73 WeakPolarHBondContact O-CB 3.39Å
27	Q	97.2	Very high	95	Very high	26 Å²	26	52.1 Å²	52.1	12%	0.121	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-33.6	177	-72.6	-179.3	103.5	0	0	113.1	L23 E24 F25 L29 A30 L68 I69 Y70	L23-Q27 WeakPolarHBondContact O-CB 3.48Å; L23-Q27 VanDerWaalsContact O-CG 3.29Å; L23-Q27 WeakPolarHBondContact O-CG 3.4Å; L23-Q27 PolarHBondContact O-N 3.01Å; L23-Q27 VanDerWaalsContact O-N 3.17Å; L23-Q27 PolarHBondContact O-NE2 2.9Å; L23-Q27 VanDerWaalsContact O-NE2 3.17Å; E24-Q27 PolarHBondContact O-N 3.35Å; F25-Q27 VanDerWaalsContact C-N 3.28Å; F25-Q27 PolarHBondContact O-N 3.31Å; Q27-L29 PolarHBondContact O-N 3.32Å; Q27-A30 WeakPolarHBondContact O-CB 3.39Å; Q27-A30 PolarHBondContact O-N 3.42Å; Q27-L68 HydrophobicContact CG-CD2 3.71Å; Q27-I69 VanDerWaalsContact OE1-CB 3.31Å; Q27-Y70 HydrophobicContact CB-CD2 4.19Å; Q27-Y70 HydrophobicContact CG-CD2 4.47Å
28	C	96.4	Very high	95.2	Very high	59 Å²	59	48.2 Å²	48.2	40%	0.399	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-26.4	173.2	-67	0	0	0	0	112.9	E24 F25 V26 A30 N31 Y34	E24-C28 PolarHBondContact O-N 3.41Å; E24-C28 PolarHBondContact O-SG 3.32Å; F25-C28 WeakPolarHBondContact O-CB 3.48Å; F25-C28 PolarHBondContact O-N 3Å; F25-C28 VanDerWaalsContact O-N 3.13Å; V26-C28 VanDerWaalsContact C-N 3.31Å; V26-C28 PolarHBondContact O-N 3.28Å; C28-A30 PolarHBondContact O-N 2.82Å; C28-A30 VanDerWaalsContact O-N 3.16Å; C28-N31 PolarHBondContact O-N 3.35Å; C28-N31 VanDerWaalsContact O-N 3.08Å; C28-Y34 HydrophobicContact CB-CD1 3.82Å; C28-Y34 HydrophobicContact CB-CE1 3.73Å; C28-Y34 WeakPolarHBondContact O-CD1 3.48Å
29	L	95.7	Very high	95.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16	174.9	-55.7	177.2	0	0	0	112.8	F25 V26 Q27 N31 L35 L38 L53 C73 L76 L77 L80	F25-L29 HydrophobicContact CE1-CD1 4.42Å; F25-L29 HydrophobicContact CE1-CD2 4.32Å; F25-L29 HydrophobicContact CZ-CD2 4.17Å; F25-L29 PolarHBondContact O-N 2.53Å; V26-L29 VanDerWaalsContact O-CB 3.24Å; V26-L29 WeakPolarHBondContact O-CB 3.28Å; V26-L29 PolarHBondContact O-N 3.02Å; Q27-L29 PolarHBondContact O-N 3.32Å; L29-N31 PolarHBondContact O-N 3.4Å; L29-L35 HydrophobicContact CB-CD2 4.24Å; L29-L35 HydrophobicContact CD2-CD2 3.71Å; L29-L38 HydrophobicContact CD2-CD1 4.46Å; L29-L53 HydrophobicContact CD1-CD2 4.34Å; L29-C73 HydrophobicContact CB-CB 4.48Å; L29-L76 WeakPolarHBondContact O-CD1 3.36Å; L29-L77 HydrophobicContact CD1-CB 4.43Å; L29-L77 HydrophobicContact CD1-CD1 3.85Å; L29-L80 HydrophobicContact CD1-CD1 4.22Å; L29-L80 HydrophobicContact CD2-CD1 4.19Å
30	A	94.3	Very high	95.2	Very high	20 Å²	20	44.9 Å²	44.9	17%	0.165	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.3	172.8	0	0	0	0	0	113.4	Q27 C28 P32 C73	Q27-A30 WeakPolarHBondContact O-CB 3.39Å; Q27-A30 PolarHBondContact O-N 3.42Å; C28-A30 PolarHBondContact O-N 2.82Å; C28-A30 VanDerWaalsContact O-N 3.16Å; A30-P32 WeakPolarHBondContact O-CD 3.39Å; A30-C73 HydrophobicContact CB-CB 3.98Å
31	N	93	Very high	95.1	Very high	82 Å²	82	45.4 Å²	45.4	44%	0.439	23%	0.234	S	C	.	.			trans	-92.9	113.5	-176.5	-178.6	-15.6	0	0	0	111.1	C28 L29 S33 Y34 L35	C28-N31 PolarHBondContact O-N 3.35Å; C28-N31 VanDerWaalsContact O-N 3.08Å; L29-N31 PolarHBondContact O-N 3.4Å; N31-S33 VanDerWaalsContact C-N 3.28Å; N31-S33 PolarHBondContact O-N 2.86Å; N31-S33 WeakPolarHBondContact OD1-CB 3.39Å; N31-S33 PolarHBondContact OD1-N 3.22Å; N31-Y34 WeakPolarHBondContact O-CB 3.46Å; N31-Y34 PolarHBondContact O-N 2.89Å; N31-Y34 PolarHBondContact OD1-N 3.3Å; N31-L35 PolarHBondContact O-N 3.37Å; N31-L35 VanDerWaalsContact O-N 3.11Å
32	P	93.1	Very high	95.1	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-33.7	-178.6	-26.3	39.3	0	0	0	113.6	A30 Y34 L35 N36 C95 I98 D99 I102	A30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-Y34 VanDerWaalsContact C-N 3.3Å; P32-Y34 PolarHBondContact O-N 2.83Å; P32-L35 PolarHBondContact O-N 2.96Å; P32-N36 WeakPolarHBondContact O-CB 3.45Å; P32-N36 PolarHBondContact O-N 2.84Å; P32-C95 HydrophobicContact CB-CB 4.41Å; P32-I98 HydrophobicContact CB-CB 4.07Å; P32-I98 HydrophobicContact CB-CD1 4.29Å; P32-I98 HydrophobicContact CB-CG2 4.11Å; P32-I98 HydrophobicContact CG-CB 3.91Å; P32-I98 HydrophobicContact CG-CG2 3.47Å; P32-I98 VanDerWaalsContact CG-CG2 3.47Å; P32-D99 WeakPolarHBondContact CG-OD1 3.48Å; P32-I102 HydrophobicContact CG-CD1 4.34Å
33	S	92.9	Very high	95	Very high	70 Å²	70	46.4 Å²	46.4	49%	0.49	24%	0.235	S	C	.	.	H	α-helix	trans	-65.5	-36.6	176.5	-62	0	0	0	0	111.5	N31 N36 F37	N31-S33 VanDerWaalsContact C-N 3.28Å; N31-S33 PolarHBondContact O-N 2.86Å; N31-S33 WeakPolarHBondContact OD1-CB 3.39Å; N31-S33 PolarHBondContact OD1-N 3.22Å; S33-N36 PolarHBondContact O-N 3.38Å; S33-F37 WeakPolarHBondContact O-CB 3.33Å; S33-F37 PolarHBondContact O-N 3.42Å
34	Y	94.5	Very high	94.9	Very high	72 Å²	72	45.6 Å²	45.6	28%	0.282	23%	0.231	S	C	.	.	H	α-helix	trans	-68.4	-41.8	175.2	-177.3	-115.5	0	0	0	111.7	F25 C28 N31 P32 N36 F37 L38	F25-Y34 HydrophobicContact CE2-CE1 4.49Å; C28-Y34 HydrophobicContact CB-CD1 3.82Å; C28-Y34 HydrophobicContact CB-CE1 3.73Å; C28-Y34 WeakPolarHBondContact O-CD1 3.48Å; N31-Y34 WeakPolarHBondContact O-CB 3.46Å; N31-Y34 PolarHBondContact O-N 2.89Å; N31-Y34 PolarHBondContact OD1-N 3.3Å; P32-Y34 VanDerWaalsContact C-N 3.3Å; P32-Y34 PolarHBondContact O-N 2.83Å; Y34-N36 VanDerWaalsContact C-N 3.35Å; Y34-N36 PolarHBondContact O-N 2.92Å; Y34-F37 HydrophobicContact CD2-CD1 4.44Å; Y34-F37 HydrophobicContact CE2-CD1 4.42Å; Y34-F37 WeakPolarHBondContact O-CB 3.24Å; Y34-F37 PolarHBondContact O-N 3.01Å; Y34-L38 HydrophobicContact CD1-CD1 4Å; Y34-L38 HydrophobicContact CD1-CG 4.48Å; Y34-L38 HydrophobicContact CE1-CD1 3.54Å; Y34-L38 HydrophobicContact CE1-CG 4.13Å; Y34-L38 HydrophobicContact CE2-CD2 4.39Å; Y34-L38 HydrophobicContact CE2-CG 4.33Å; Y34-L38 WeakPolarHBondContact O-CG 3.43Å; Y34-L38 PolarHBondContact O-N 3.23Å
35	L	94.8	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-43.2	174.2	-66.6	-176.7	0	0	0	112.1	L29 N31 P32 L38 A39 F44 L76 L80 L89	L29-L35 HydrophobicContact CB-CD2 4.24Å; L29-L35 HydrophobicContact CD2-CD2 3.71Å; N31-L35 PolarHBondContact O-N 3.37Å; N31-L35 VanDerWaalsContact O-N 3.11Å; P32-L35 PolarHBondContact O-N 2.96Å; L35-L38 PolarHBondContact O-N 3.49Å; L35-A39 PolarHBondContact O-N 3.14Å; L35-F44 HydrophobicContact CD2-CZ 4.23Å; L35-F44 WeakPolarHBondContact O-CE2 3.48Å; L35-L76 HydrophobicContact CD1-CB 4.22Å; L35-L76 HydrophobicContact CD1-CD1 3.91Å; L35-L76 HydrophobicContact CD1-CD2 4.07Å; L35-L76 HydrophobicContact CD1-CG 4.3Å; L35-L80 HydrophobicContact CD2-CD1 3.93Å; L35-L80 HydrophobicContact CD2-CD2 4.49Å; L35-L89 HydrophobicContact CB-CD1 4.24Å; L35-L89 HydrophobicContact CB-CD2 3.94Å; L35-L89 HydrophobicContact CD1-CD2 4.33Å
36	N	93.8	Very high	94.7	Very high	19 Å²	19	51.3 Å²	51.3	10%	0.102	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.3	178.9	-106.3	0	0	0	112.1	P32 S33 Y34 L38 A39 Q40 L89 C95	P32-N36 WeakPolarHBondContact O-CB 3.45Å; P32-N36 PolarHBondContact O-N 2.84Å; S33-N36 PolarHBondContact O-N 3.38Å; Y34-N36 VanDerWaalsContact C-N 3.35Å; Y34-N36 PolarHBondContact O-N 2.92Å; N36-L38 PolarHBondContact O-N 3.4Å; N36-A39 WeakPolarHBondContact O-CB 3.49Å; N36-A39 PolarHBondContact O-N 3.42Å; N36-Q40 WeakPolarHBondContact O-CG 3.33Å; N36-Q40 PolarHBondContact O-N 2.94Å; N36-Q40 PolarHBondContact OD1-NE2 3.11Å; N36-L89 PolarHBondContact ND2-O 2.94Å; N36-C95 WeakPolarHBondContact CB-SG 3.43Å
37	F	94.3	Very high	94.6	Very high	99 Å²	99	55.9 Å²	55.9	43%	0.434	29%	0.287	S	S	.	.	H	α-helix	trans	-57.6	-48.9	172.2	170.3	-101	0	0	0	111.6	S33 Y34 A39 Q40 Q41	S33-F37 WeakPolarHBondContact O-CB 3.33Å; S33-F37 PolarHBondContact O-N 3.42Å; Y34-F37 HydrophobicContact CD2-CD1 4.44Å; Y34-F37 HydrophobicContact CE2-CD1 4.42Å; Y34-F37 WeakPolarHBondContact O-CB 3.24Å; Y34-F37 PolarHBondContact O-N 3.01Å; F37-A39 VanDerWaalsContact C-N 3.26Å; F37-A39 PolarHBondContact O-N 3.3Å; F37-Q40 PolarHBondContact O-N 3.15Å; F37-Q41 HydrophobicContact CD2-CG 4.16Å; F37-Q41 HydrophobicContact CE1-CG 4.17Å; F37-Q41 HydrophobicContact CE2-CG 3.74Å; F37-Q41 HydrophobicContact CZ-CG 3.74Å; F37-Q41 VanDerWaalsContact O-CG 3.3Å; F37-Q41 WeakPolarHBondContact O-CG 3.47Å; F37-Q41 PolarHBondContact O-N 3.39Å
38	L	95.4	Very high	94.6	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.037	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-37.3	177.7	-71.7	178.4	0	0	0	112.5	L29 Y34 L35 N36 G42 W43 F44 F49	L29-L38 HydrophobicContact CD2-CD1 4.46Å; Y34-L38 HydrophobicContact CD1-CD1 4Å; Y34-L38 HydrophobicContact CD1-CG 4.48Å; Y34-L38 HydrophobicContact CE1-CD1 3.54Å; Y34-L38 HydrophobicContact CE1-CG 4.13Å; Y34-L38 HydrophobicContact CE2-CD2 4.39Å; Y34-L38 HydrophobicContact CE2-CG 4.33Å; Y34-L38 WeakPolarHBondContact O-CG 3.43Å; Y34-L38 PolarHBondContact O-N 3.23Å; L35-L38 PolarHBondContact O-N 3.49Å; N36-L38 PolarHBondContact O-N 3.4Å; L38-G42 PolarHBondContact O-N 2.98Å; L38-W43 HydrophobicContact CB-CB 4.49Å; L38-W43 HydrophobicContact CD2-CG 4.13Å; L38-W43 WeakPolarHBondContact O-CB 3.45Å; L38-W43 PolarHBondContact O-N 3.07Å; L38-W43 VanDerWaalsContact O-N 3.09Å; L38-F44 HydrophobicContact CB-CE2 3.86Å; L38-F44 HydrophobicContact CB-CZ 3.93Å; L38-F44 HydrophobicContact CD1-CZ 4.32Å; L38-F49 HydrophobicContact CD1-CZ 4.26Å
39	A	94.2	Very high	94.6	Very high	12 Å²	12	59.4 Å²	59.4	10%	0.099	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-46.2	176.6	0	0	0	0	0	112.3	L35 N36 F37 Q41 G42 F44 L89 A90	L35-A39 PolarHBondContact O-N 3.14Å; N36-A39 WeakPolarHBondContact O-CB 3.49Å; N36-A39 PolarHBondContact O-N 3.42Å; F37-A39 VanDerWaalsContact C-N 3.26Å; F37-A39 PolarHBondContact O-N 3.3Å; A39-Q41 PolarHBondContact O-N 3.45Å; A39-G42 PolarHBondContact O-N 3.05Å; A39-F44 HydrophobicContact CB-CD2 3.62Å; A39-F44 HydrophobicContact CB-CE2 3.78Å; A39-L89 HydrophobicContact CB-CB 3.69Å; A39-A90 HydrophobicContact CB-CB 4.23Å
40	Q	93	Very high	94.7	Very high	118 Å²	118	61.7 Å²	61.7	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-62.3	-32.1	177.7	-73	175.6	-4.9	0	0	112.7	N36 F37 G42	N36-Q40 WeakPolarHBondContact O-CG 3.33Å; N36-Q40 PolarHBondContact O-N 2.94Å; N36-Q40 PolarHBondContact OD1-NE2 3.11Å; F37-Q40 PolarHBondContact O-N 3.15Å; Q40-G42 PolarHBondContact O-N 3.07Å
41	Q	94.9	Very high	94.8	Very high	109 Å²	109	68.3 Å²	68.3	51%	0.509	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.1	175.1	-62.9	-58.4	-47.2	0	0	113.5	F37 A39 W43	F37-Q41 HydrophobicContact CD2-CG 4.16Å; F37-Q41 HydrophobicContact CE1-CG 4.17Å; F37-Q41 HydrophobicContact CE2-CG 3.74Å; F37-Q41 HydrophobicContact CZ-CG 3.74Å; F37-Q41 VanDerWaalsContact O-CG 3.3Å; F37-Q41 WeakPolarHBondContact O-CG 3.47Å; F37-Q41 PolarHBondContact O-N 3.39Å; A39-Q41 PolarHBondContact O-N 3.45Å; Q41-W43 VanDerWaalsContact C-N 3.32Å; Q41-W43 PolarHBondContact O-N 2.91Å
42	G	94.3	Very high	95	Very high	14 Å²	14	68 Å²	68	14%	0.144	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	19	177.1	0	0	0	0	0	114.5	L38 A39 Q40 F44 E45	L38-G42 PolarHBondContact O-N 2.98Å; A39-G42 PolarHBondContact O-N 3.05Å; Q40-G42 PolarHBondContact O-N 3.07Å; G42-F44 VanDerWaalsContact C-N 3.3Å; G42-F44 PolarHBondContact O-N 3.25Å; G42-E45 PolarHBondContact O-N 3.22Å
43	W	95.6	Very high	95.2	Very high	103 Å²	103	67.8 Å²	67.8	39%	0.39	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-64.9	-35.9	179.5	-74	102.9	0	0	0	112.4	L38 Q41 E45 K46 F49	L38-W43 HydrophobicContact CB-CB 4.49Å; L38-W43 HydrophobicContact CD2-CG 4.13Å; L38-W43 WeakPolarHBondContact O-CB 3.45Å; L38-W43 PolarHBondContact O-N 3.07Å; L38-W43 VanDerWaalsContact O-N 3.09Å; Q41-W43 VanDerWaalsContact C-N 3.32Å; Q41-W43 PolarHBondContact O-N 2.91Å; W43-E45 PolarHBondContact O-N 2.95Å; W43-K46 HydrophobicContact CE3-CD 3.94Å; W43-K46 HydrophobicContact CZ3-CD 4.2Å; W43-K46 PolarHBondContact O-N 3.3Å; W43-F49 HydrophobicContact CB-CD1 3.88Å; W43-F49 HydrophobicContact CB-CE1 3.89Å; W43-F49 HydrophobicContact CB-CG 4.36Å; W43-F49 HydrophobicContact CB-CZ 4.41Å; W43-F49 HydrophobicContact CE3-CD2 4.4Å; W43-F49 WeakPolarHBondContact O-CB 3.37Å; W43-F49 VanDerWaalsContact O-CD1 3.23Å; W43-F49 WeakPolarHBondContact O-CD1 3.42Å
44	F	94.7	Very high	95.4	Very high	9 Å²	9	71.3 Å²	71.3	4%	0.039	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-73	-8.7	-179.2	-64.4	-54.2	0	0	0	114.7	L35 L38 A39 G42 F49 L53 L80 R86 L89	L35-F44 HydrophobicContact CD2-CZ 4.23Å; L35-F44 WeakPolarHBondContact O-CE2 3.48Å; L38-F44 HydrophobicContact CB-CE2 3.86Å; L38-F44 HydrophobicContact CB-CZ 3.93Å; L38-F44 HydrophobicContact CD1-CZ 4.32Å; A39-F44 HydrophobicContact CB-CD2 3.62Å; A39-F44 HydrophobicContact CB-CE2 3.78Å; G42-F44 VanDerWaalsContact C-N 3.3Å; G42-F44 PolarHBondContact O-N 3.25Å; F44-F49 AromaticContact CD1-CD1 3.98Å; F44-F49 HydrophobicContact CD1-CD1 3.98Å; F44-F49 AromaticContact CD1-CE1 3.67Å; F44-F49 HydrophobicContact CD1-CE1 3.67Å; F44-F49 HydrophobicContact CE1-CD1 4.32Å; F44-F49 AromaticContact CE1-CE1 3.55Å; F44-F49 HydrophobicContact CE1-CE1 3.55Å; F44-F49 HydrophobicContact CZ-CE1 4.42Å; F44-L53 HydrophobicContact CD1-CD1 4Å; F44-L53 HydrophobicContact CE1-CD1 3.89Å; F44-L80 HydrophobicContact CD1-CD2 4.13Å; F44-L80 HydrophobicContact CE1-CD1 4.31Å; F44-L80 HydrophobicContact CE1-CD2 3.41Å; F44-L80 VanDerWaalsContact CE1-CD2 3.41Å; F44-L80 HydrophobicContact CE1-CG 4.45Å; F44-L80 HydrophobicContact CE2-CD2 4.32Å; F44-L80 HydrophobicContact CZ-CD2 3.55Å; F44-R86 HydrophobicContact CB-CB 4.01Å; F44-R86 HydrophobicContact CB-CG 4.16Å; F44-R86 HydrophobicContact CD1-CG 4.05Å; F44-R86 HydrophobicContact CG-CB 4.29Å; F44-R86 HydrophobicContact CG-CG 4.1Å; F44-R86 PolarHBondContact O-NH1 3.13Å; F44-L89 HydrophobicContact CD2-CD1 4.14Å; F44-L89 HydrophobicContact CE2-CD1 3.56Å; F44-L89 HydrophobicContact CZ-CD1 3.91Å
45	E	93.6	Very high	95.6	Very high	160 Å²	160	73 Å²	73	75%	0.748	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-86.2	-21.9	173.9	-62.4	174.4	-177.7	0	0	111.6	G42 W43 P47	G42-E45 PolarHBondContact O-N 3.22Å; W43-E45 PolarHBondContact O-N 2.95Å; E45-P47 WeakPolarHBondContact O-CD 3.49Å
46	K	95.9	Very high	95.7	Very high	92 Å²	92	73 Å²	73	40%	0.4	34%	0.343	S	S	.	.			trans	-77.4	120.6	-176.3	-61.9	178.1	-173.5	172.4	0	110.4	W43 N48 F49 I50	W43-K46 HydrophobicContact CE3-CD 3.94Å; W43-K46 HydrophobicContact CZ3-CD 4.2Å; W43-K46 PolarHBondContact O-N 3.3Å; K46-N48 PolarHBondContact O-N 3.5Å; K46-F49 HydrophobicContact CB-CB 4.19Å; K46-F49 PolarHBondContact O-N 3.28Å; K46-I50 PolarHBondContact O-N 3.02Å
47	P	95.7	Very high	95.8	Very high	97 Å²	97	74.4 Å²	74.4	63%	0.63	35%	0.35	S	S	*	.	H	α-helix	trans	-61.1	-33.2	-178.5	23.2	-33.3	0	0	0	113	E45 F49 I50 K51	E45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-F49 VanDerWaalsContact C-N 3.31Å; P47-F49 PolarHBondContact O-N 3.28Å; P47-I50 PolarHBondContact O-N 2.93Å; P47-K51 PolarHBondContact O-N 3.19Å
48	N	97	Very high	95.9	Very high	135 Å²	135	72.6 Å²	72.6	72%	0.722	34%	0.341	S	S	*	.	H	α-helix	trans	-62.3	-38.5	175.9	-67.4	-16.6	0	0	0	112.1	K46 K51 Y52	K46-N48 PolarHBondContact O-N 3.5Å; N48-K51 PolarHBondContact O-N 3.08Å; N48-Y52 PolarHBondContact O-N 3.07Å
49	F	96.6	Very high	96	Very high	24 Å²	24	72.2 Å²	72.2	11%	0.105	34%	0.339	C	S	.	.	H	α-helix	trans	-72.4	-40.3	179.1	-170.8	-115.4	0	0	0	111.4	F25 L38 W43 F44 K46 P47 K51 Y52 L53	F25-F49 AromaticContact CZ-CE2 3.93Å; F25-F49 HydrophobicContact CZ-CE2 3.93Å; F25-F49 AromaticContact CZ-CZ 3.95Å; F25-F49 HydrophobicContact CZ-CZ 3.95Å; L38-F49 HydrophobicContact CD1-CZ 4.26Å; W43-F49 HydrophobicContact CB-CD1 3.88Å; W43-F49 HydrophobicContact CB-CE1 3.89Å; W43-F49 HydrophobicContact CB-CG 4.36Å; W43-F49 HydrophobicContact CB-CZ 4.41Å; W43-F49 HydrophobicContact CE3-CD2 4.4Å; W43-F49 WeakPolarHBondContact O-CB 3.37Å; W43-F49 VanDerWaalsContact O-CD1 3.23Å; W43-F49 WeakPolarHBondContact O-CD1 3.42Å; F44-F49 AromaticContact CD1-CD1 3.98Å; F44-F49 HydrophobicContact CD1-CD1 3.98Å; F44-F49 AromaticContact CD1-CE1 3.67Å; F44-F49 HydrophobicContact CD1-CE1 3.67Å; F44-F49 HydrophobicContact CE1-CD1 4.32Å; F44-F49 AromaticContact CE1-CE1 3.55Å; F44-F49 HydrophobicContact CE1-CE1 3.55Å; F44-F49 HydrophobicContact CZ-CE1 4.42Å; K46-F49 HydrophobicContact CB-CB 4.19Å; K46-F49 PolarHBondContact O-N 3.28Å; P47-F49 VanDerWaalsContact C-N 3.31Å; P47-F49 PolarHBondContact O-N 3.28Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 3.04Å; F49-Y52 HydrophobicContact CD2-CD1 4.43Å; F49-Y52 HydrophobicContact CE2-CD1 4.36Å; F49-Y52 WeakPolarHBondContact O-CA 3.4Å; F49-Y52 WeakPolarHBondContact O-CB 3.47Å; F49-Y52 PolarHBondContact O-N 3.07Å; F49-L53 HydrophobicContact CD1-CD1 4.08Å; F49-L53 HydrophobicContact CD1-CG 4.4Å; F49-L53 HydrophobicContact CE1-CD1 3.93Å; F49-L53 HydrophobicContact CE1-CD2 4.33Å; F49-L53 HydrophobicContact CE1-CG 4.23Å; F49-L53 HydrophobicContact CZ-CD2 4.21Å; F49-L53 HydrophobicContact CZ-CG 4.48Å; F49-L53 WeakPolarHBondContact O-CG 3.39Å; F49-L53 PolarHBondContact O-N 2.89Å
50	I	96.6	Very high	96.1	Very high	47 Å²	47	76.2 Å²	76.2	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-43.3	174	-57.4	164.5	0	0	0	110.6	K46 P47 Y52 L53 K54	K46-I50 PolarHBondContact O-N 3.02Å; P47-I50 PolarHBondContact O-N 2.93Å; I50-Y52 VanDerWaalsContact C-N 3.29Å; I50-Y52 PolarHBondContact O-N 3.14Å; I50-L53 PolarHBondContact O-N 3.25Å; I50-K54 PolarHBondContact O-N 2.91Å
51	K	97.5	Very high	96.3	Very high	160 Å²	160	74.5 Å²	74.5	70%	0.696	35%	0.348	S	S	*	.	H	α-helix	trans	-61.4	-38.4	174.8	-173.6	178.5	179.3	-179.2	0	111.9	P47 N48 F49 K54 Y55	P47-K51 PolarHBondContact O-N 3.19Å; N48-K51 PolarHBondContact O-N 3.08Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 3.04Å; K51-K54 PolarHBondContact O-N 3.48Å; K51-Y55 PolarHBondContact O-N 3.5Å
52	Y	97.3	Very high	96.3	Very high	74 Å²	74	74.1 Å²	74.1	29%	0.29	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-43.3	175.9	-177.6	-118.6	0	0	0	112.3	F25 N48 F49 I50 K54 Y55 L56	F25-Y52 AromaticContact CD1-CE1 3.94Å; F25-Y52 HydrophobicContact CD1-CE1 3.94Å; F25-Y52 HydrophobicContact CE1-CD1 4.29Å; F25-Y52 AromaticContact CE1-CE1 3.69Å; F25-Y52 HydrophobicContact CE1-CE1 3.69Å; F25-Y52 HydrophobicContact CZ-CE1 4.26Å; N48-Y52 PolarHBondContact O-N 3.07Å; F49-Y52 HydrophobicContact CD2-CD1 4.43Å; F49-Y52 HydrophobicContact CE2-CD1 4.36Å; F49-Y52 WeakPolarHBondContact O-CA 3.4Å; F49-Y52 WeakPolarHBondContact O-CB 3.47Å; F49-Y52 PolarHBondContact O-N 3.07Å; I50-Y52 VanDerWaalsContact C-N 3.29Å; I50-Y52 PolarHBondContact O-N 3.14Å; Y52-K54 VanDerWaalsContact C-N 3.27Å; Y52-K54 PolarHBondContact O-N 3.48Å; Y52-Y55 AromaticContact CD2-CD1 3.86Å; Y52-Y55 HydrophobicContact CD2-CD1 3.86Å; Y52-Y55 HydrophobicContact CD2-CE1 4.5Å; Y52-Y55 AromaticContact CE2-CD1 3.81Å; Y52-Y55 HydrophobicContact CE2-CD1 3.81Å; Y52-Y55 HydrophobicContact CE2-CE1 4.04Å; Y52-Y55 WeakPolarHBondContact O-CA 3.3Å; Y52-Y55 WeakPolarHBondContact O-CB 3.38Å; Y52-Y55 PolarHBondContact O-N 2.96Å; Y52-L56 HydrophobicContact CD1-CD1 4.07Å; Y52-L56 HydrophobicContact CE1-CD1 3.72Å; Y52-L56 HydrophobicContact CE1-CG 4.32Å; Y52-L56 HydrophobicContact CE2-CD2 4.27Å; Y52-L56 HydrophobicContact CE2-CG 4.4Å; Y52-L56 WeakPolarHBondContact O-CG 3.28Å; Y52-L56 PolarHBondContact O-N 2.9Å
53	L	96.7	Very high	96.3	Very high	2 Å²	2	76 Å²	76	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-39.8	173.3	-65	173.7	0	0	0	111.8	F25 L29 F44 F49 I50 Y55 L56 L77 L80	F25-L53 HydrophobicContact CE1-CD2 4.47Å; L29-L53 HydrophobicContact CD1-CD2 4.34Å; F44-L53 HydrophobicContact CD1-CD1 4Å; F44-L53 HydrophobicContact CE1-CD1 3.89Å; F49-L53 HydrophobicContact CD1-CD1 4.08Å; F49-L53 HydrophobicContact CD1-CG 4.4Å; F49-L53 HydrophobicContact CE1-CD1 3.93Å; F49-L53 HydrophobicContact CE1-CD2 4.33Å; F49-L53 HydrophobicContact CE1-CG 4.23Å; F49-L53 HydrophobicContact CZ-CD2 4.21Å; F49-L53 HydrophobicContact CZ-CG 4.48Å; F49-L53 WeakPolarHBondContact O-CG 3.39Å; F49-L53 PolarHBondContact O-N 2.89Å; I50-L53 PolarHBondContact O-N 3.25Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; L53-L56 HydrophobicContact CD2-CD1 4.49Å; L53-L56 PolarHBondContact O-N 3.4Å; L53-L77 HydrophobicContact CB-CD1 4.29Å; L53-L77 HydrophobicContact CD2-CD1 4.13Å; L53-L80 HydrophobicContact CD1-CB 4.32Å; L53-L80 HydrophobicContact CD1-CD1 4.46Å; L53-L80 HydrophobicContact CD2-CD1 4.33Å
54	K	97.5	Very high	96.3	Very high	144 Å²	144	75.5 Å²	75.5	63%	0.626	37%	0.368	S	S	*	.	H	α-helix	trans	-64.6	-37.9	174.5	-171.7	172.3	-175.8	173.3	0	112.2	I50 K51 Y52 L56 L57	I50-K54 PolarHBondContact O-N 2.91Å; K51-K54 PolarHBondContact O-N 3.48Å; Y52-K54 VanDerWaalsContact C-N 3.27Å; Y52-K54 PolarHBondContact O-N 3.48Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L57 HydrophobicContact CG-CD1 4.17Å; K54-L57 WeakPolarHBondContact O-CB 3.21Å; K54-L57 WeakPolarHBondContact O-CG 3.23Å; K54-L57 PolarHBondContact O-N 2.9Å
55	Y	97.3	Very high	96.4	Very high	108 Å²	108	76.7 Å²	76.7	42%	0.424	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-43.7	173.6	160	-98.2	0	0	0	111.3	E22 K51 Y52 L53 L57 Y58	E22-Y55 VanDerWaalsContact OE1-CE1 3.32Å; E22-Y55 WeakPolarHBondContact OE1-CE1 3.38Å; E22-Y55 PolarHBondContact OE1-OH 3.03Å; E22-Y55 PolarHBondContact OE2-OH 3.28Å; K51-Y55 PolarHBondContact O-N 3.5Å; Y52-Y55 AromaticContact CD2-CD1 3.86Å; Y52-Y55 HydrophobicContact CD2-CD1 3.86Å; Y52-Y55 HydrophobicContact CD2-CE1 4.5Å; Y52-Y55 AromaticContact CE2-CD1 3.81Å; Y52-Y55 HydrophobicContact CE2-CD1 3.81Å; Y52-Y55 HydrophobicContact CE2-CE1 4.04Å; Y52-Y55 WeakPolarHBondContact O-CA 3.3Å; Y52-Y55 WeakPolarHBondContact O-CB 3.38Å; Y52-Y55 PolarHBondContact O-N 2.96Å; L53-Y55 VanDerWaalsContact C-N 3.33Å; Y55-L57 PolarHBondContact O-N 2.77Å; Y55-Y58 HydrophobicContact CE1-CE1 4.01Å; Y55-Y58 HydrophobicContact CE2-CD1 4.46Å; Y55-Y58 HydrophobicContact CE2-CE1 4.45Å; Y55-Y58 AromaticContact CZ-CE1 3.91Å; Y55-Y58 VanDerWaalsContact O-CD1 3.29Å; Y55-Y58 WeakPolarHBondContact O-CD1 3.47Å; Y55-Y58 PolarHBondContact O-N 3.02Å
56	L	97.2	Very high	96.4	Very high	0 Å²	0	77.8 Å²	77.8	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-64.5	-8.9	-179.4	-65.5	172.1	0	0	0	114.8	E22 F25 V26 Y52 L53 K54 Y58 W59 L77	E22-L56 HydrophobicContact CB-CD2 4.29Å; E22-L56 HydrophobicContact CG-CD2 4.24Å; F25-L56 HydrophobicContact CD1-CD1 3.55Å; F25-L56 HydrophobicContact CE1-CD1 3.43Å; F25-L56 VanDerWaalsContact CE1-CD1 3.43Å; V26-L56 HydrophobicContact CG2-CB 4.14Å; V26-L56 HydrophobicContact CG2-CD1 3.93Å; V26-L56 HydrophobicContact CG2-CD2 3.84Å; V26-L56 HydrophobicContact CG2-CG 4.18Å; Y52-L56 HydrophobicContact CD1-CD1 4.07Å; Y52-L56 HydrophobicContact CE1-CD1 3.72Å; Y52-L56 HydrophobicContact CE1-CG 4.32Å; Y52-L56 HydrophobicContact CE2-CD2 4.27Å; Y52-L56 HydrophobicContact CE2-CG 4.4Å; Y52-L56 WeakPolarHBondContact O-CG 3.28Å; Y52-L56 PolarHBondContact O-N 2.9Å; L53-L56 HydrophobicContact CD2-CD1 4.49Å; L53-L56 PolarHBondContact O-N 3.4Å; K54-L56 VanDerWaalsContact C-N 3.34Å; L56-Y58 PolarHBondContact O-N 2.74Å; L56-W59 WeakPolarHBondContact O-CB 3.25Å; L56-W59 VanDerWaalsContact O-CD1 3.24Å; L56-W59 PolarHBondContact O-N 3.33Å; L56-W59 VanDerWaalsContact O-N 3.08Å; L56-L77 HydrophobicContact CB-CD1 4.46Å; L56-L77 HydrophobicContact CB-CD2 4.09Å
57	L	97.4	Very high	96.5	Very high	48 Å²	48	78.7 Å²	78.7	25%	0.251	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-61.1	-16.7	176	-69.1	171.8	0	0	0	113.4	K54 Y55 W59 K60 L77 Q81	K54-L57 HydrophobicContact CG-CD1 4.17Å; K54-L57 WeakPolarHBondContact O-CB 3.21Å; K54-L57 WeakPolarHBondContact O-CG 3.23Å; K54-L57 PolarHBondContact O-N 2.9Å; Y55-L57 PolarHBondContact O-N 2.77Å; L57-W59 PolarHBondContact O-N 3.28Å; L57-K60 HydrophobicContact CD2-CD 4.16Å; L57-K60 WeakPolarHBondContact O-CB 3.26Å; L57-K60 WeakPolarHBondContact O-CG 3.48Å; L57-K60 PolarHBondContact O-N 2.73Å; L57-K60 VanDerWaalsContact O-N 3.14Å; L57-L77 HydrophobicContact CD2-CD2 4.16Å; L57-L77 HydrophobicContact CD2-CG 4Å; L57-Q81 HydrophobicContact CD1-CG 4.31Å; L57-Q81 HydrophobicContact CD2-CG 4.33Å
58	Y	96.6	Very high	96.5	Very high	61 Å²	61	75 Å²	75	24%	0.239	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-59.9	-24.8	173.6	85.7	-99.6	0	0	0	112.7	E22 Y55 L56 K60 D61 Y64	E22-Y58 VanDerWaalsContact OE2-CE1 3.31Å; E22-Y58 WeakPolarHBondContact OE2-CE1 3.31Å; E22-Y58 PolarHBondContact OE2-OH 3.09Å; Y55-Y58 HydrophobicContact CE1-CE1 4.01Å; Y55-Y58 HydrophobicContact CE2-CD1 4.46Å; Y55-Y58 HydrophobicContact CE2-CE1 4.45Å; Y55-Y58 AromaticContact CZ-CE1 3.91Å; Y55-Y58 VanDerWaalsContact O-CD1 3.29Å; Y55-Y58 WeakPolarHBondContact O-CD1 3.47Å; Y55-Y58 PolarHBondContact O-N 3.02Å; L56-Y58 PolarHBondContact O-N 2.74Å; Y58-K60 PolarHBondContact O-N 3.07Å; Y58-D61 WeakPolarHBondContact O-CB 3.26Å; Y58-D61 PolarHBondContact O-N 3.21Å; Y58-Y64 HydrophobicContact CD2-CD1 4.3Å; Y58-Y64 AromaticContact CD2-CD2 3.58Å; Y58-Y64 HydrophobicContact CD2-CD2 3.58Å; Y58-Y64 HydrophobicContact CD2-CE1 4.45Å; Y58-Y64 AromaticContact CD2-CE2 3.78Å; Y58-Y64 HydrophobicContact CD2-CE2 3.78Å; Y58-Y64 AromaticContact CD2-CG 3.86Å; Y58-Y64 HydrophobicContact CD2-CG 3.86Å; Y58-Y64 AromaticContact CE2-CD1 3.89Å; Y58-Y64 HydrophobicContact CE2-CD1 3.89Å; Y58-Y64 HydrophobicContact CE2-CD2 4.01Å; Y58-Y64 HydrophobicContact CE2-CE1 4.11Å; Y58-Y64 HydrophobicContact CE2-CE2 4.27Å; Y58-Y64 AromaticContact CE2-CG 3.81Å; Y58-Y64 HydrophobicContact CE2-CG 3.81Å
59	W	97	Very high	96.5	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-62.1	-12.3	176.5	-77.4	99.8	0	0	0	114	F19 E22 L23 V26 L56 L57 D61 S65 L68 L74	F19-W59 AromaticContact CD2-CH2 3.81Å; F19-W59 HydrophobicContact CD2-CH2 3.81Å; F19-W59 HydrophobicContact CD2-CZ2 4.14Å; F19-W59 HydrophobicContact CE1-CH2 4.07Å; F19-W59 AromaticContact CE2-CH2 3.22Å; F19-W59 HydrophobicContact CE2-CH2 3.22Å; F19-W59 AromaticContact CE2-CZ2 3.95Å; F19-W59 HydrophobicContact CE2-CZ2 3.95Å; F19-W59 AromaticContact CE2-CZ3 3.83Å; F19-W59 HydrophobicContact CE2-CZ3 3.83Å; F19-W59 HydrophobicContact CG-CH2 4.44Å; F19-W59 AromaticContact CZ-CH2 3.39Å; F19-W59 HydrophobicContact CZ-CH2 3.39Å; F19-W59 HydrophobicContact CZ-CZ2 4.46Å; F19-W59 AromaticContact CZ-CZ3 3.82Å; F19-W59 HydrophobicContact CZ-CZ3 3.82Å; E22-W59 HydrophobicContact CB-CZ2 4Å; L23-W59 HydrophobicContact CB-CH2 3.56Å; L23-W59 HydrophobicContact CB-CZ2 3.87Å; L23-W59 HydrophobicContact CB-CZ3 4.37Å; L23-W59 HydrophobicContact CD1-CE3 4.27Å; L23-W59 HydrophobicContact CD1-CH2 3.65Å; L23-W59 HydrophobicContact CD1-CZ2 4.45Å; L23-W59 HydrophobicContact CD1-CZ3 3.55Å; L23-W59 HydrophobicContact CG-CH2 4.1Å; L23-W59 HydrophobicContact CG-CZ3 4.47Å; V26-W59 HydrophobicContact CG1-CG 4.41Å; V26-W59 HydrophobicContact CG2-CG 4.13Å; L56-W59 WeakPolarHBondContact O-CB 3.25Å; L56-W59 VanDerWaalsContact O-CD1 3.24Å; L56-W59 PolarHBondContact O-N 3.33Å; L56-W59 VanDerWaalsContact O-N 3.08Å; L57-W59 PolarHBondContact O-N 3.28Å; W59-D61 VanDerWaalsContact C-N 3.33Å; W59-S65 WeakPolarHBondContact O-CA 3.47Å; W59-S65 VanDerWaalsContact O-CB 3.27Å; W59-S65 WeakPolarHBondContact O-CB 3.48Å; W59-S65 PolarHBondContact O-N 2.99Å; W59-L68 HydrophobicContact CE3-CD2 4.33Å; W59-L74 HydrophobicContact CB-CD2 3.98Å
60	K	95.8	Very high	96.4	Very high	95 Å²	95	80.4 Å²	80.4	41%	0.413	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-74.2	-22.3	174.5	-63.2	-178.6	70.3	167.9	0	113.4	L57 Y58 L74 D78	L57-K60 HydrophobicContact CD2-CD 4.16Å; L57-K60 WeakPolarHBondContact O-CB 3.26Å; L57-K60 WeakPolarHBondContact O-CG 3.48Å; L57-K60 PolarHBondContact O-N 2.73Å; L57-K60 VanDerWaalsContact O-N 3.14Å; Y58-K60 PolarHBondContact O-N 3.07Å; K60-L74 HydrophobicContact CG-CD2 4.12Å; K60-D78 IonicContact NZ-OD1 2.74Å; K60-D78 PolarHBondContact NZ-OD1 3.39Å; K60-D78 IonicContact NZ-OD2 2.73Å; K60-D78 PolarHBondContact NZ-OD2 3.26Å
61	D	96.2	Very high	96.2	Very high	82 Å²	82	82.5 Å²	82.5	44%	0.439	39%	0.387	S	S	.	.	S	Bend	trans	-63.7	133.8	177.1	177.4	-23.4	0	0	0	109.6	Y58 W59 A63 Y64 S65	Y58-D61 WeakPolarHBondContact O-CB 3.26Å; Y58-D61 PolarHBondContact O-N 3.21Å; W59-D61 VanDerWaalsContact C-N 3.33Å; D61-A63 PolarHBondContact O-N 3.48Å; D61-A63 WeakPolarHBondContact OD1-CB 3.39Å; D61-A63 PolarHBondContact OD1-N 2.86Å; D61-Y64 HydrophobicContact CB-CD2 4Å; D61-Y64 PolarHBondContact O-N 3.48Å; D61-S65 PolarHBondContact O-N 3.45Å; D61-S65 PolarHBondContact O-OG 2.8Å; D61-S65 VanDerWaalsContact O-OG 3.09Å
62	P	95	Very high	95.9	Very high	102 Å²	102	77.1 Å²	77.1	66%	0.662	36%	0.363	S	S	*	.	H	α-helix	trans	-45.6	-32.3	173.8	-31.1	36.5	0	0	0	115.3	Y64 S65	P62-Y64 PolarHBondContact O-N 3.48Å; P62-S65 VanDerWaalsContact CA-OG 3.27Å; P62-S65 WeakPolarHBondContact CA-OG 3.42Å
63	A	95	Very high	95.9	Very high	52 Å²	52	73.6 Å²	73.6	43%	0.43	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-28.5	177.8	0	0	0	0	0	113.1	D61 R66 Y67	D61-A63 PolarHBondContact O-N 3.48Å; D61-A63 WeakPolarHBondContact OD1-CB 3.39Å; D61-A63 PolarHBondContact OD1-N 2.86Å; A63-R66 WeakPolarHBondContact O-CD 3.39Å; A63-Y67 WeakPolarHBondContact O-CE2 3.24Å
64	Y	95.8	Very high	95.9	Very high	93 Å²	93	74.8 Å²	74.8	37%	0.365	36%	0.355	S	S	.	.	H	α-helix	trans	-112.1	-37.5	-177.2	-55.6	-72.3	0	0	0	112.9	F19 Y58 D61 P62 R66 Y67	F19-Y64 AromaticContact CE2-CD1 3.97Å; F19-Y64 HydrophobicContact CE2-CD1 3.97Å; Y58-Y64 HydrophobicContact CD2-CD1 4.3Å; Y58-Y64 AromaticContact CD2-CD2 3.58Å; Y58-Y64 HydrophobicContact CD2-CD2 3.58Å; Y58-Y64 HydrophobicContact CD2-CE1 4.45Å; Y58-Y64 AromaticContact CD2-CE2 3.78Å; Y58-Y64 HydrophobicContact CD2-CE2 3.78Å; Y58-Y64 AromaticContact CD2-CG 3.86Å; Y58-Y64 HydrophobicContact CD2-CG 3.86Å; Y58-Y64 AromaticContact CE2-CD1 3.89Å; Y58-Y64 HydrophobicContact CE2-CD1 3.89Å; Y58-Y64 HydrophobicContact CE2-CD2 4.01Å; Y58-Y64 HydrophobicContact CE2-CE1 4.11Å; Y58-Y64 HydrophobicContact CE2-CE2 4.27Å; Y58-Y64 AromaticContact CE2-CG 3.81Å; Y58-Y64 HydrophobicContact CE2-CG 3.81Å; D61-Y64 HydrophobicContact CB-CD2 4Å; D61-Y64 PolarHBondContact O-N 3.48Å; P62-Y64 PolarHBondContact O-N 3.48Å; Y64-R66 PolarHBondContact O-N 2.92Å; Y64-R66 VanDerWaalsContact O-N 3.11Å; Y64-Y67 WeakPolarHBondContact O-CD2 3.09Å; Y64-Y67 PolarHBondContact O-N 3.06Å
65	S	95.8	Very high	95.7	Very high	35 Å²	35	72.2 Å²	72.2	25%	0.245	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-26	-178.7	56	0	0	0	0	113.3	W59 D61 P62 Y67 L68	W59-S65 WeakPolarHBondContact O-CA 3.47Å; W59-S65 VanDerWaalsContact O-CB 3.27Å; W59-S65 WeakPolarHBondContact O-CB 3.48Å; W59-S65 PolarHBondContact O-N 2.99Å; D61-S65 PolarHBondContact O-N 3.45Å; D61-S65 PolarHBondContact O-OG 2.8Å; D61-S65 VanDerWaalsContact O-OG 3.09Å; P62-S65 VanDerWaalsContact CA-OG 3.27Å; P62-S65 WeakPolarHBondContact CA-OG 3.42Å; S65-Y67 PolarHBondContact O-N 3.39Å; S65-Y67 VanDerWaalsContact O-N 3.08Å; S65-L68 WeakPolarHBondContact O-CB 3.24Å; S65-L68 PolarHBondContact O-N 3.37Å
66	R	95.4	Very high	95.6	Very high	183 Å²	183	67.1 Å²	67.1	69%	0.691	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.1	172.5	60.5	178.4	-91.8	177	-5.4	115.1	A63 Y64	A63-R66 WeakPolarHBondContact O-CD 3.39Å; Y64-R66 PolarHBondContact O-N 2.92Å; Y64-R66 VanDerWaalsContact O-N 3.11Å
67	Y	96.2	Very high	95.6	Very high	110 Å²	110	67.1 Å²	67.1	43%	0.431	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.8	178.8	-62.4	-76.8	0	0	0	113.1	F19 A63 Y64 S65	F19-Y67 HydrophobicContact CE1-CD2 4.49Å; F19-Y67 HydrophobicContact CE1-CG 4.47Å; F19-Y67 AromaticContact CZ-CD2 3.72Å; F19-Y67 HydrophobicContact CZ-CD2 3.72Å; F19-Y67 HydrophobicContact CZ-CE2 4.06Å; F19-Y67 HydrophobicContact CZ-CG 4.08Å; A63-Y67 WeakPolarHBondContact O-CE2 3.24Å; Y64-Y67 WeakPolarHBondContact O-CD2 3.09Å; Y64-Y67 PolarHBondContact O-N 3.06Å; S65-Y67 PolarHBondContact O-N 3.39Å; S65-Y67 VanDerWaalsContact O-N 3.08Å
68	L	96.6	Very high	95.6	Very high	21 Å²	21	67.4 Å²	67.4	11%	0.11	33%	0.327	C	S	.	.			trans	-82.1	125.4	-177.8	-61.7	168.6	0	0	0	110.8	L23 V26 Q27 W59 S65 L74	L23-L68 HydrophobicContact CD1-CD2 3.67Å; L23-L68 HydrophobicContact CD1-CG 4.42Å; V26-L68 HydrophobicContact CG1-CD2 4.01Å; Q27-L68 HydrophobicContact CG-CD2 3.71Å; W59-L68 HydrophobicContact CE3-CD2 4.33Å; S65-L68 WeakPolarHBondContact O-CB 3.24Å; S65-L68 PolarHBondContact O-N 3.37Å; L68-L74 HydrophobicContact CD1-CD1 3.67Å; L68-L74 HydrophobicContact CD1-CD2 3.73Å; L68-L74 HydrophobicContact CD1-CG 3.65Å
69	I	96.1	Very high	95.5	Very high	128 Å²	128	66.9 Å²	66.9	66%	0.656	33%	0.328	S	S	*	.	S	Bend	trans	-83.9	-33.8	173.3	-56.3	173.8	0	0	0	110.2	Q27 P71	Q27-I69 VanDerWaalsContact OE1-CB 3.31Å; I69-P71 WeakPolarHBondContact O-CD 3.39Å
70	Y	94.8	Very high	95.5	Very high	143 Å²	143	67 Å²	67	56%	0.561	33%	0.329	S	S	*	.			trans	-109.4	76.5	-179.1	-57.7	-71.7	0	0	0	111.4	Q27 Y72 C73	Q27-Y70 HydrophobicContact CB-CD2 4.19Å; Q27-Y70 HydrophobicContact CG-CD2 4.47Å; Y70-Y72 PolarHBondContact O-N 3.33Å; Y70-C73 WeakPolarHBondContact O-CB 3.27Å; Y70-C73 PolarHBondContact O-N 3.11Å; Y70-C73 PolarHBondContact O-SG 3.07Å
71	P	92.5	Very high	95.5	Very high	91 Å²	91	65.1 Å²	65.1	59%	0.591	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.6	-171.1	25.3	-36.2	0	0	0	114.1	I69 C73 L74	I69-P71 WeakPolarHBondContact O-CD 3.39Å; P71-C73 PolarHBondContact O-N 3.3Å; P71-C73 VanDerWaalsContact O-N 3.15Å; P71-L74 PolarHBondContact O-N 3.3Å; P71-L74 VanDerWaalsContact O-N 3.08Å
72	Y	92.6	Very high	95.5	Very high	48 Å²	48	66.7 Å²	66.7	19%	0.188	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-22.3	175.6	-165.1	-104.1	0	0	0	113	Y70 L74 H75 L76 I98 I102	Y70-Y72 PolarHBondContact O-N 3.33Å; Y72-L74 PolarHBondContact O-N 2.98Å; Y72-H75 HydrophobicContact CD2-CB 4.26Å; Y72-H75 HydrophobicContact CE2-CB 4.28Å; Y72-H75 AromaticContact CE2-CD2 3.57Å; Y72-H75 AromaticContact CZ-CD2 3.62Å; Y72-H75 WeakPolarHBondContact O-CB 3.43Å; Y72-H75 PolarHBondContact O-N 3.46Å; Y72-H75 VanDerWaalsContact O-N 3.07Å; Y72-L76 HydrophobicContact CD1-CD1 3.63Å; Y72-L76 HydrophobicContact CD1-CG 3.88Å; Y72-L76 HydrophobicContact CE1-CD1 3.55Å; Y72-L76 HydrophobicContact CE1-CD2 4.01Å; Y72-L76 HydrophobicContact CE1-CG 3.54Å; Y72-L76 PolarHBondContact O-N 3.36Å; Y72-L76 VanDerWaalsContact O-N 3.11Å; Y72-I98 HydrophobicContact CE1-CG2 4.18Å; Y72-I102 HydrophobicContact CD1-CD1 3.71Å; Y72-I102 HydrophobicContact CD1-CG1 3.83Å; Y72-I102 HydrophobicContact CD2-CG1 4.43Å; Y72-I102 HydrophobicContact CE1-CD1 3.41Å; Y72-I102 VanDerWaalsContact CE1-CD1 3.41Å; Y72-I102 HydrophobicContact CE1-CG1 3.3Å; Y72-I102 HydrophobicContact CE2-CG1 3.98Å; Y72-I102 HydrophobicContact CG-CG1 4.36Å
73	C	96	Very high	95.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-54.3	-34.7	172.5	64.6	0	0	0	0	113	V26 L29 A30 Y70 P71 L76 L77	V26-C73 HydrophobicContact CG1-CB 4.31Å; V26-C73 WeakPolarHBondContact O-CB 3.39Å; L29-C73 HydrophobicContact CB-CB 4.48Å; A30-C73 HydrophobicContact CB-CB 3.98Å; Y70-C73 WeakPolarHBondContact O-CB 3.27Å; Y70-C73 PolarHBondContact O-N 3.11Å; Y70-C73 PolarHBondContact O-SG 3.07Å; P71-C73 PolarHBondContact O-N 3.3Å; P71-C73 VanDerWaalsContact O-N 3.15Å; C73-L76 PolarHBondContact O-N 3.28Å; C73-L77 VanDerWaalsContact O-CB 3.24Å; C73-L77 WeakPolarHBondContact O-CB 3.1Å; C73-L77 PolarHBondContact O-N 3.07Å
74	L	96.3	Very high	95.4	Very high	27 Å²	27	70.1 Å²	70.1	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-68.8	-37.2	179.5	-64.5	-177.9	0	0	0	111.6	W59 K60 L68 P71 Y72 L77 D78	W59-L74 HydrophobicContact CB-CD2 3.98Å; K60-L74 HydrophobicContact CG-CD2 4.12Å; L68-L74 HydrophobicContact CD1-CD1 3.67Å; L68-L74 HydrophobicContact CD1-CD2 3.73Å; L68-L74 HydrophobicContact CD1-CG 3.65Å; P71-L74 PolarHBondContact O-N 3.3Å; P71-L74 VanDerWaalsContact O-N 3.08Å; Y72-L74 PolarHBondContact O-N 2.98Å; L74-L77 PolarHBondContact O-N 3.38Å; L74-D78 PolarHBondContact O-N 3.24Å
75	H	94.9	Very high	95.3	Very high	90 Å²	90	67.2 Å²	67.2	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-44.9	175.1	-178.3	62.8	0	0	0	111.1	Y72 L77 D78 L79	Y72-H75 HydrophobicContact CD2-CB 4.26Å; Y72-H75 HydrophobicContact CE2-CB 4.28Å; Y72-H75 AromaticContact CE2-CD2 3.57Å; Y72-H75 AromaticContact CZ-CD2 3.62Å; Y72-H75 WeakPolarHBondContact O-CB 3.43Å; Y72-H75 PolarHBondContact O-N 3.46Å; Y72-H75 VanDerWaalsContact O-N 3.07Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 3.45Å; H75-D78 WeakPolarHBondContact O-CB 3.38Å; H75-D78 PolarHBondContact O-N 3.4Å; H75-L79 WeakPolarHBondContact O-CG 3.34Å; H75-L79 PolarHBondContact O-N 3.17Å; H75-L79 VanDerWaalsContact O-N 3.07Å
76	L	95.4	Very high	95.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-36	175.3	-73.6	171.9	0	0	0	112	L29 L35 Y72 C73 D78 L79 L80 F85 I98	L29-L76 WeakPolarHBondContact O-CD1 3.36Å; L35-L76 HydrophobicContact CD1-CB 4.22Å; L35-L76 HydrophobicContact CD1-CD1 3.91Å; L35-L76 HydrophobicContact CD1-CD2 4.07Å; L35-L76 HydrophobicContact CD1-CG 4.3Å; Y72-L76 HydrophobicContact CD1-CD1 3.63Å; Y72-L76 HydrophobicContact CD1-CG 3.88Å; Y72-L76 HydrophobicContact CE1-CD1 3.55Å; Y72-L76 HydrophobicContact CE1-CD2 4.01Å; Y72-L76 HydrophobicContact CE1-CG 3.54Å; Y72-L76 PolarHBondContact O-N 3.36Å; Y72-L76 VanDerWaalsContact O-N 3.11Å; C73-L76 PolarHBondContact O-N 3.28Å; L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 3.13Å; L76-L79 HydrophobicContact CD2-CD1 4.25Å; L76-L79 PolarHBondContact O-N 3.49Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 3.16Å; L76-F85 HydrophobicContact CD2-CZ 4.08Å; L76-I98 HydrophobicContact CD2-CD1 4.19Å; L76-I98 HydrophobicContact CD2-CG2 4.08Å
77	L	96.8	Very high	95.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-36.9	174.9	-178.3	62.1	0	0	0	112.5	L29 L53 L56 L57 C73 L74 H75 Q81	L29-L77 HydrophobicContact CD1-CB 4.43Å; L29-L77 HydrophobicContact CD1-CD1 3.85Å; L53-L77 HydrophobicContact CB-CD1 4.29Å; L53-L77 HydrophobicContact CD2-CD1 4.13Å; L56-L77 HydrophobicContact CB-CD1 4.46Å; L56-L77 HydrophobicContact CB-CD2 4.09Å; L57-L77 HydrophobicContact CD2-CD2 4.16Å; L57-L77 HydrophobicContact CD2-CG 4Å; C73-L77 VanDerWaalsContact O-CB 3.24Å; C73-L77 WeakPolarHBondContact O-CB 3.1Å; C73-L77 PolarHBondContact O-N 3.07Å; L74-L77 PolarHBondContact O-N 3.38Å; H75-L77 VanDerWaalsContact C-N 3.32Å; H75-L77 PolarHBondContact O-N 3.45Å; L77-Q81 PolarHBondContact O-NE2 3.29Å
78	D	96.7	Very high	94.9	Very high	55 Å²	55	58 Å²	58	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-47	171.8	-78.2	-27.6	0	0	0	110.9	K60 L74 H75 L76 L80 Q81	K60-D78 IonicContact NZ-OD1 2.74Å; K60-D78 PolarHBondContact NZ-OD1 3.39Å; K60-D78 IonicContact NZ-OD2 2.73Å; K60-D78 PolarHBondContact NZ-OD2 3.26Å; L74-D78 PolarHBondContact O-N 3.24Å; H75-D78 WeakPolarHBondContact O-CB 3.38Å; H75-D78 PolarHBondContact O-N 3.4Å; L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 3.13Å; D78-L80 VanDerWaalsContact C-N 3.27Å; D78-L80 PolarHBondContact O-N 2.98Å; D78-Q81 WeakPolarHBondContact O-CB 3.29Å; D78-Q81 WeakPolarHBondContact O-CG 3.44Å; D78-Q81 PolarHBondContact O-N 2.93Å
79	L	95.6	Very high	94.7	Very high	50 Å²	50	57.1 Å²	57.1	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-37.2	177.6	-67.7	177	0	0	0	112.3	H75 L76 Q81 H82 F85	H75-L79 WeakPolarHBondContact O-CG 3.34Å; H75-L79 PolarHBondContact O-N 3.17Å; H75-L79 VanDerWaalsContact O-N 3.07Å; L76-L79 HydrophobicContact CD2-CD1 4.25Å; L76-L79 PolarHBondContact O-N 3.49Å; L79-Q81 PolarHBondContact O-N 2.87Å; L79-Q81 VanDerWaalsContact O-N 3.15Å; L79-H82 WeakPolarHBondContact O-CB 3.47Å; L79-H82 PolarHBondContact O-N 2.85Å; L79-F85 VanDerWaalsContact C-CD1 3.46Å; L79-F85 HydrophobicContact CB-CD1 3.66Å; L79-F85 HydrophobicContact CB-CD2 4.21Å; L79-F85 HydrophobicContact CB-CE1 3.63Å; L79-F85 HydrophobicContact CB-CE2 4.2Å; L79-F85 HydrophobicContact CB-CG 3.94Å; L79-F85 HydrophobicContact CB-CZ 3.92Å; L79-F85 HydrophobicContact CD1-CE2 4.04Å; L79-F85 HydrophobicContact CD1-CZ 4.05Å; L79-F85 WeakPolarHBondContact O-CB 3.38Å; L79-F85 WeakPolarHBondContact O-CD1 3.4Å
80	L	95.8	Very high	94.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18	176.1	-76.9	174.1	0	0	0	114.2	L29 L35 F44 L53 L76 D78 H82 F85 R86 L89	L29-L80 HydrophobicContact CD1-CD1 4.22Å; L29-L80 HydrophobicContact CD2-CD1 4.19Å; L35-L80 HydrophobicContact CD2-CD1 3.93Å; L35-L80 HydrophobicContact CD2-CD2 4.49Å; F44-L80 HydrophobicContact CD1-CD2 4.13Å; F44-L80 HydrophobicContact CE1-CD1 4.31Å; F44-L80 HydrophobicContact CE1-CD2 3.41Å; F44-L80 VanDerWaalsContact CE1-CD2 3.41Å; F44-L80 HydrophobicContact CE1-CG 4.45Å; F44-L80 HydrophobicContact CE2-CD2 4.32Å; F44-L80 HydrophobicContact CZ-CD2 3.55Å; L53-L80 HydrophobicContact CD1-CB 4.32Å; L53-L80 HydrophobicContact CD1-CD1 4.46Å; L53-L80 HydrophobicContact CD2-CD1 4.33Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.5Å; L76-L80 PolarHBondContact O-N 3.16Å; D78-L80 VanDerWaalsContact C-N 3.27Å; D78-L80 PolarHBondContact O-N 2.98Å; L80-H82 PolarHBondContact O-N 3.06Å; L80-F85 HydrophobicContact CD2-CD1 4.24Å; L80-F85 HydrophobicContact CD2-CE1 4.17Å; L80-F85 HydrophobicContact CG-CE1 4.36Å; L80-R86 HydrophobicContact CD2-CG 4.12Å; L80-R86 WeakPolarHBondContact O-CD 3.27Å; L80-R86 WeakPolarHBondContact O-CG 3.34Å; L80-R86 PolarHBondContact O-NE 3.39Å; L80-L89 HydrophobicContact CD2-CD1 3.43Å; L80-L89 VanDerWaalsContact CD2-CD1 3.43Å
81	Q	96.1	Very high	94.1	Very high	56 Å²	56	54.4 Å²	54.4	26%	0.262	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.5	173.8	-54.7	-52.3	-56.5	0	0	111.8	L57 L77 D78 L79	L57-Q81 HydrophobicContact CD1-CG 4.31Å; L57-Q81 HydrophobicContact CD2-CG 4.33Å; L77-Q81 PolarHBondContact O-NE2 3.29Å; D78-Q81 WeakPolarHBondContact O-CB 3.29Å; D78-Q81 WeakPolarHBondContact O-CG 3.44Å; D78-Q81 PolarHBondContact O-N 2.93Å; L79-Q81 PolarHBondContact O-N 2.87Å; L79-Q81 VanDerWaalsContact O-N 3.15Å
82	H	96.2	Very high	93.5	Very high	116 Å²	116	52.3 Å²	52.3	54%	0.537	28%	0.279	S	S	.	.	S	Bend	trans	-83.3	125	179.3	-59.2	-77.4	0	0	0	111	L79 L80 E84 F85 R86	L79-H82 WeakPolarHBondContact O-CB 3.47Å; L79-H82 PolarHBondContact O-N 2.85Å; L80-H82 PolarHBondContact O-N 3.06Å; H82-E84 VanDerWaalsContact C-N 3.29Å; H82-E84 PolarHBondContact O-N 3.03Å; H82-F85 HydrophobicContact CB-CB 4.23Å; H82-F85 PolarHBondContact O-N 3.25Å; H82-R86 PolarHBondContact O-N 2.86Å; H82-R86 VanDerWaalsContact O-N 3.14Å
83	A	94.4	Very high	93.3	Very high	54 Å²	54	57.6 Å²	57.6	45%	0.446	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-40.2	179.1	0	0	0	0	0	112.2	F85 R86 S87	A83-F85 VanDerWaalsContact C-N 3.34Å; A83-F85 PolarHBondContact O-N 2.91Å; A83-R86 WeakPolarHBondContact O-CB 3.41Å; A83-R86 PolarHBondContact O-N 3.28Å; A83-S87 PolarHBondContact O-N 2.86Å; A83-S87 PolarHBondContact O-OG 3.4Å
84	E	93.3	Very high	92.9	Very high	172 Å²	172	58.5 Å²	58.5	80%	0.804	31%	0.31	S	S	*	.	H	α-helix	trans	-59.7	-43.4	178.6	-63.6	175.1	-173.7	0	0	112.2	H82 S87 A88	H82-E84 VanDerWaalsContact C-N 3.29Å; H82-E84 PolarHBondContact O-N 3.03Å; E84-S87 PolarHBondContact O-N 3.11Å; E84-A88 WeakPolarHBondContact O-CB 3.3Å; E84-A88 PolarHBondContact O-N 3.17Å
85	F	94.1	Very high	92.5	Very high	31 Å²	31	58 Å²	58	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-65.3	-44.6	176.8	-176.7	-103.4	0	0	0	111.3	L76 L79 L80 H82 A83 S87 A88 L89 I98	L76-F85 HydrophobicContact CD2-CZ 4.08Å; L79-F85 VanDerWaalsContact C-CD1 3.46Å; L79-F85 HydrophobicContact CB-CD1 3.66Å; L79-F85 HydrophobicContact CB-CD2 4.21Å; L79-F85 HydrophobicContact CB-CE1 3.63Å; L79-F85 HydrophobicContact CB-CE2 4.2Å; L79-F85 HydrophobicContact CB-CG 3.94Å; L79-F85 HydrophobicContact CB-CZ 3.92Å; L79-F85 HydrophobicContact CD1-CE2 4.04Å; L79-F85 HydrophobicContact CD1-CZ 4.05Å; L79-F85 WeakPolarHBondContact O-CB 3.38Å; L79-F85 WeakPolarHBondContact O-CD1 3.4Å; L80-F85 HydrophobicContact CD2-CD1 4.24Å; L80-F85 HydrophobicContact CD2-CE1 4.17Å; L80-F85 HydrophobicContact CG-CE1 4.36Å; H82-F85 HydrophobicContact CB-CB 4.23Å; H82-F85 PolarHBondContact O-N 3.25Å; A83-F85 VanDerWaalsContact C-N 3.34Å; A83-F85 PolarHBondContact O-N 2.91Å; F85-S87 VanDerWaalsContact C-N 3.32Å; F85-S87 PolarHBondContact O-N 3.38Å; F85-A88 WeakPolarHBondContact O-CB 3.46Å; F85-A88 PolarHBondContact O-N 3.49Å; F85-A88 VanDerWaalsContact O-N 3.11Å; F85-L89 HydrophobicContact CD1-CD1 4.12Å; F85-L89 HydrophobicContact CD1-CG 4.26Å; F85-L89 HydrophobicContact CE1-CD1 3.85Å; F85-L89 HydrophobicContact CE1-CD2 4.01Å; F85-L89 HydrophobicContact CE1-CG 3.97Å; F85-L89 HydrophobicContact CZ-CD2 3.95Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CG 3.39Å; F85-L89 PolarHBondContact O-N 2.98Å; F85-I98 HydrophobicContact CE2-CD1 4.38Å; F85-I98 HydrophobicContact CZ-CD1 3.94Å
86	R	94.1	Very high	92.2	Very high	38 Å²	38	62.9 Å²	62.9	14%	0.143	32%	0.324	C	S	.	.	H	α-helix	trans	-57.3	-43.6	175.3	-75.5	-173.7	-72.2	123.1	-4.5	112.6	F44 L80 H82 A83 L89	F44-R86 HydrophobicContact CB-CB 4.01Å; F44-R86 HydrophobicContact CB-CG 4.16Å; F44-R86 HydrophobicContact CD1-CG 4.05Å; F44-R86 HydrophobicContact CG-CB 4.29Å; F44-R86 HydrophobicContact CG-CG 4.1Å; F44-R86 PolarHBondContact O-NH1 3.13Å; L80-R86 HydrophobicContact CD2-CG 4.12Å; L80-R86 WeakPolarHBondContact O-CD 3.27Å; L80-R86 WeakPolarHBondContact O-CG 3.34Å; L80-R86 PolarHBondContact O-NE 3.39Å; H82-R86 PolarHBondContact O-N 2.86Å; H82-R86 VanDerWaalsContact O-N 3.14Å; A83-R86 WeakPolarHBondContact O-CB 3.41Å; A83-R86 PolarHBondContact O-N 3.28Å; R86-L89 PolarHBondContact O-N 3.46Å
87	S	92.3	Very high	92.1	Very high	84 Å²	84	67.2 Å²	67.2	59%	0.587	35%	0.345	S	S	*	.	H	α-helix	trans	-68.1	-34.8	176	-62.3	0	0	0	0	112.5	A83 E84 F85	A83-S87 PolarHBondContact O-N 2.86Å; A83-S87 PolarHBondContact O-OG 3.4Å; E84-S87 PolarHBondContact O-N 3.11Å; F85-S87 VanDerWaalsContact C-N 3.32Å; F85-S87 PolarHBondContact O-N 3.38Å
88	A	92.6	Very high	91.9	Very high	14 Å²	14	67.6 Å²	67.6	12%	0.116	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-36.3	176.7	0	0	0	0	0	112.2	E84 F85 A90 R91 I94	E84-A88 WeakPolarHBondContact O-CB 3.3Å; E84-A88 PolarHBondContact O-N 3.17Å; F85-A88 WeakPolarHBondContact O-CB 3.46Å; F85-A88 PolarHBondContact O-N 3.49Å; F85-A88 VanDerWaalsContact O-N 3.11Å; A88-A90 PolarHBondContact O-N 3.11Å; A88-R91 VanDerWaalsContact O-CB 3.26Å; A88-R91 WeakPolarHBondContact O-CB 3.46Å; A88-R91 WeakPolarHBondContact O-CG 3.21Å; A88-R91 PolarHBondContact O-N 3.07Å; A88-I94 HydrophobicContact CB-CD1 4.05Å; A88-I94 HydrophobicContact CB-CG1 4.12Å; A88-I94 VanDerWaalsContact O-CG1 3.25Å; A88-I94 WeakPolarHBondContact O-CG1 3.23Å
89	L	93.1	Very high	91.6	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.005	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.3	-177.4	-78.3	173.3	0	0	0	114.7	L35 N36 A39 F44 L80 F85 R86 R91 I94 I98	L35-L89 HydrophobicContact CB-CD1 4.24Å; L35-L89 HydrophobicContact CB-CD2 3.94Å; L35-L89 HydrophobicContact CD1-CD2 4.33Å; N36-L89 PolarHBondContact ND2-O 2.94Å; A39-L89 HydrophobicContact CB-CB 3.69Å; F44-L89 HydrophobicContact CD2-CD1 4.14Å; F44-L89 HydrophobicContact CE2-CD1 3.56Å; F44-L89 HydrophobicContact CZ-CD1 3.91Å; L80-L89 HydrophobicContact CD2-CD1 3.43Å; L80-L89 VanDerWaalsContact CD2-CD1 3.43Å; F85-L89 HydrophobicContact CD1-CD1 4.12Å; F85-L89 HydrophobicContact CD1-CG 4.26Å; F85-L89 HydrophobicContact CE1-CD1 3.85Å; F85-L89 HydrophobicContact CE1-CD2 4.01Å; F85-L89 HydrophobicContact CE1-CG 3.97Å; F85-L89 HydrophobicContact CZ-CD2 3.95Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CG 3.39Å; F85-L89 PolarHBondContact O-N 2.98Å; R86-L89 PolarHBondContact O-N 3.46Å; L89-R91 PolarHBondContact O-N 3.19Å; L89-I94 HydrophobicContact CD2-CG2 3.77Å; L89-I98 HydrophobicContact CD2-CD1 4.05Å
90	A	89.5	Confident	91.5	Very high	50 Å²	50	70.5 Å²	70.5	41%	0.413	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.2	176.3	0	0	0	0	0	112.6	A39 A88	A39-A90 HydrophobicContact CB-CB 4.23Å; A88-A90 PolarHBondContact O-N 3.11Å
91	R	88.2	Confident	91.4	Very high	164 Å²	164	75.5 Å²	75.5	62%	0.619	39%	0.386	S	S	*	.	S	Bend	trans	-78.8	121.7	177.8	-53.9	173.8	-170.7	161.8	2.7	109.2	A88 L89 Q93 I94	A88-R91 VanDerWaalsContact O-CB 3.26Å; A88-R91 WeakPolarHBondContact O-CB 3.46Å; A88-R91 WeakPolarHBondContact O-CG 3.21Å; A88-R91 PolarHBondContact O-N 3.07Å; L89-R91 PolarHBondContact O-N 3.19Å; R91-Q93 PolarHBondContact O-N 3.08Å; R91-I94 HydrophobicContact CB-CG1 4.39Å; R91-I94 PolarHBondContact O-N 3.15Å
92	G	80.2	Confident	91.2	Very high	47 Å²	47	73.7 Å²	73.7	49%	0.485	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.3	-179.6	0	0	0	0	0	115.2	I94 C95	G92-I94 VanDerWaalsContact C-N 3.26Å; G92-I94 PolarHBondContact O-N 3.03Å; G92-C95 PolarHBondContact O-N 3.05Å
93	Q	88.9	Confident	90.9	Very high	159 Å²	159	72.3 Å²	72.3	74%	0.743	37%	0.374	S	S	*	.	H	α-helix	trans	-65.2	-27.3	175	-69.1	174.8	-12.3	0	0	113.2	R91 C95 R96 M97	R91-Q93 PolarHBondContact O-N 3.08Å; Q93-C95 VanDerWaalsContact C-N 3.3Å; Q93-C95 PolarHBondContact O-N 3.08Å; Q93-R96 PolarHBondContact O-N 2.95Å; Q93-M97 PolarHBondContact O-N 3.09Å; Q93-M97 VanDerWaalsContact O-N 3.13Å
94	I	86.4	Confident	90.9	Very high	19 Å²	19	73.1 Å²	73.1	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-66.5	-32.7	-178.1	-68.6	-66.7	0	0	0	111.7	A88 L89 R91 G92 R96 M97 I98	A88-I94 HydrophobicContact CB-CD1 4.05Å; A88-I94 HydrophobicContact CB-CG1 4.12Å; A88-I94 VanDerWaalsContact O-CG1 3.25Å; A88-I94 WeakPolarHBondContact O-CG1 3.23Å; L89-I94 HydrophobicContact CD2-CG2 3.77Å; R91-I94 HydrophobicContact CB-CG1 4.39Å; R91-I94 PolarHBondContact O-N 3.15Å; G92-I94 VanDerWaalsContact C-N 3.26Å; G92-I94 PolarHBondContact O-N 3.03Å; I94-R96 PolarHBondContact O-N 3.03Å; I94-M97 HydrophobicContact CD1-CE 3.43Å; I94-M97 VanDerWaalsContact CD1-CE 3.43Å; I94-M97 HydrophobicContact CD1-SD 4.19Å; I94-M97 PolarHBondContact O-N 3.03Å; I94-I98 HydrophobicContact CG2-CD1 3.48Å; I94-I98 VanDerWaalsContact CG2-CD1 3.48Å; I94-I98 HydrophobicContact CG2-CG1 3.95Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 3.08Å
95	C	88.3	Confident	90.8	Very high	16 Å²	16	69.4 Å²	69.4	11%	0.108	35%	0.353	C	S	.	.	H	α-helix	trans	-55.5	-54.1	175.7	-61.7	0	0	0	0	111.1	P32 N36 G92 Q93 M97 I98 D99	P32-C95 HydrophobicContact CB-CB 4.41Å; N36-C95 WeakPolarHBondContact CB-SG 3.43Å; G92-C95 PolarHBondContact O-N 3.05Å; Q93-C95 VanDerWaalsContact C-N 3.3Å; Q93-C95 PolarHBondContact O-N 3.08Å; C95-M97 VanDerWaalsContact C-N 3.32Å; C95-M97 PolarHBondContact O-N 2.98Å; C95-I98 PolarHBondContact O-N 3.29Å; C95-D99 PolarHBondContact O-N 3.01Å
96	R	89.2	Confident	90.6	Very high	194 Å²	194	76 Å²	76	73%	0.732	38%	0.377	S	S	*	.	H	α-helix	trans	-60.7	-43.3	179.3	-64.6	-174	-173.3	174.9	1.3	111.4	Q93 I94 I98 D99 D100	Q93-R96 PolarHBondContact O-N 2.95Å; I94-R96 PolarHBondContact O-N 3.03Å; R96-I98 VanDerWaalsContact C-N 3.35Å; R96-I98 PolarHBondContact O-N 3.41Å; R96-D99 PolarHBondContact O-N 3.43Å; R96-D100 WeakPolarHBondContact O-CB 3.49Å; R96-D100 PolarHBondContact O-N 3.21Å
97	M	92.3	Very high	90.5	Very high	91 Å²	91	79.8 Å²	79.8	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-60.6	-43.6	177.8	-172.4	-173.2	75.3	0	0	112	Q93 I94 C95 D100 Q101	Q93-M97 PolarHBondContact O-N 3.09Å; Q93-M97 VanDerWaalsContact O-N 3.13Å; I94-M97 HydrophobicContact CD1-CE 3.43Å; I94-M97 VanDerWaalsContact CD1-CE 3.43Å; I94-M97 HydrophobicContact CD1-SD 4.19Å; I94-M97 PolarHBondContact O-N 3.03Å; C95-M97 VanDerWaalsContact C-N 3.32Å; C95-M97 PolarHBondContact O-N 2.98Å; M97-D100 PolarHBondContact O-N 3.5Å; M97-Q101 WeakPolarHBondContact O-CB 3.28Å; M97-Q101 VanDerWaalsContact O-CG 3.23Å; M97-Q101 WeakPolarHBondContact O-CG 3.47Å; M97-Q101 PolarHBondContact O-N 2.86Å
98	I	92.7	Very high	90.6	Very high	7 Å²	7	80 Å²	80	4%	0.036	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-44.6	177.6	-65.2	167.4	0	0	0	110.2	P32 Y72 L76 F85 L89 I94 C95 R96 D100 Q101 I102	P32-I98 HydrophobicContact CB-CB 4.07Å; P32-I98 HydrophobicContact CB-CD1 4.29Å; P32-I98 HydrophobicContact CB-CG2 4.11Å; P32-I98 HydrophobicContact CG-CB 3.91Å; P32-I98 HydrophobicContact CG-CG2 3.47Å; P32-I98 VanDerWaalsContact CG-CG2 3.47Å; Y72-I98 HydrophobicContact CE1-CG2 4.18Å; L76-I98 HydrophobicContact CD2-CD1 4.19Å; L76-I98 HydrophobicContact CD2-CG2 4.08Å; F85-I98 HydrophobicContact CE2-CD1 4.38Å; F85-I98 HydrophobicContact CZ-CD1 3.94Å; L89-I98 HydrophobicContact CD2-CD1 4.05Å; I94-I98 HydrophobicContact CG2-CD1 3.48Å; I94-I98 VanDerWaalsContact CG2-CD1 3.48Å; I94-I98 HydrophobicContact CG2-CG1 3.95Å; I94-I98 VanDerWaalsContact O-CG1 3.3Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 3.08Å; C95-I98 PolarHBondContact O-N 3.29Å; R96-I98 VanDerWaalsContact C-N 3.35Å; R96-I98 PolarHBondContact O-N 3.41Å; I98-D100 VanDerWaalsContact C-N 3.33Å; I98-D100 PolarHBondContact O-N 2.88Å; I98-Q101 PolarHBondContact O-N 3.46Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.28Å; I98-I102 VanDerWaalsContact O-CG1 3.28Å; I98-I102 WeakPolarHBondContact O-CG1 3.1Å; I98-I102 PolarHBondContact O-N 3.43Å
99	D	91.3	Very high	90.5	Very high	74 Å²	74	84 Å²	84	40%	0.396	40%	0.4	S	S	.	.	H	α-helix	trans	-58.2	-45.5	177	-70.6	-34.9	0	0	0	111.5	P32 C95 R96 Q101 I102 L103	P32-D99 WeakPolarHBondContact CG-OD1 3.48Å; C95-D99 PolarHBondContact O-N 3.01Å; R96-D99 PolarHBondContact O-N 3.43Å; D99-Q101 PolarHBondContact O-N 3.19Å; D99-I102 PolarHBondContact O-N 2.95Å; D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 3.29Å
100	D	93.5	Very high	90.4	Very high	92 Å²	92	90 Å²	90	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-61.9	-42.4	176.6	-68.7	-22.7	0	0	0	111.2	R96 M97 I98 L103 L104	R96-D100 WeakPolarHBondContact O-CB 3.49Å; R96-D100 PolarHBondContact O-N 3.21Å; M97-D100 PolarHBondContact O-N 3.5Å; I98-D100 VanDerWaalsContact C-N 3.33Å; I98-D100 PolarHBondContact O-N 2.88Å; D100-L103 PolarHBondContact O-N 2.87Å; D100-L104 WeakPolarHBondContact O-CB 3.39Å; D100-L104 VanDerWaalsContact O-CG 3.24Å; D100-L104 WeakPolarHBondContact O-CG 3.46Å; D100-L104 PolarHBondContact O-N 3.48Å
101	Q	92.8	Very high	90.5	Very high	107 Å²	107	96.5 Å²	96.5	50%	0.5	44%	0.444	S	S	.	.	H	α-helix	trans	-65.9	-39.2	176.9	-71.6	-58.4	-46.6	0	0	112.5	M97 I98 D99 L103 H105	M97-Q101 WeakPolarHBondContact O-CB 3.28Å; M97-Q101 VanDerWaalsContact O-CG 3.23Å; M97-Q101 WeakPolarHBondContact O-CG 3.47Å; M97-Q101 PolarHBondContact O-N 2.86Å; I98-Q101 PolarHBondContact O-N 3.46Å; D99-Q101 PolarHBondContact O-N 3.19Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; Q101-H105 WeakPolarHBondContact O-CB 3.22Å; Q101-H105 PolarHBondContact O-N 3Å
102	I	91.3	Very high	90.7	Very high	17 Å²	17	95.5 Å²	95.5	9%	0.087	44%	0.444	C	S	.	.	H	α-helix	trans	-61.2	-46.6	174.4	-69.8	166.6	0	0	0	109.6	P32 Y72 I98 D99 H105 W106	P32-I102 HydrophobicContact CG-CD1 4.34Å; Y72-I102 HydrophobicContact CD1-CD1 3.71Å; Y72-I102 HydrophobicContact CD1-CG1 3.83Å; Y72-I102 HydrophobicContact CD2-CG1 4.43Å; Y72-I102 HydrophobicContact CE1-CD1 3.41Å; Y72-I102 VanDerWaalsContact CE1-CD1 3.41Å; Y72-I102 HydrophobicContact CE1-CG1 3.3Å; Y72-I102 HydrophobicContact CE2-CG1 3.98Å; Y72-I102 HydrophobicContact CG-CG1 4.36Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.28Å; I98-I102 VanDerWaalsContact O-CG1 3.28Å; I98-I102 WeakPolarHBondContact O-CG1 3.1Å; I98-I102 PolarHBondContact O-N 3.43Å; D99-I102 PolarHBondContact O-N 2.95Å; I102-H105 WeakPolarHBondContact O-CB 3.48Å; I102-H105 PolarHBondContact O-N 3.41Å; I102-W106 HydrophobicContact CG2-CD2 3.85Å; I102-W106 HydrophobicContact CG2-CE3 3.99Å; I102-W106 HydrophobicContact CG2-CH2 3.54Å; I102-W106 HydrophobicContact CG2-CZ2 3.37Å; I102-W106 HydrophobicContact CG2-CZ3 3.85Å; I102-W106 PolarHBondContact O-N 2.88Å
103	L	91.8	Very high	91.3	Very high	87 Å²	87	98.4 Å²	98.4	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-62.4	-49.8	179.6	-177.4	59.9	0	0	0	111.8	D99 D100 Q101 H105 W106 Q107	D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 3.29Å; D100-L103 PolarHBondContact O-N 2.87Å; Q101-L103 VanDerWaalsContact C-N 3.33Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.36Å; L103-W106 PolarHBondContact O-N 2.9Å; L103-Q107 HydrophobicContact CD1-CG 4.45Å; L103-Q107 WeakPolarHBondContact O-CG 3.24Å; L103-Q107 PolarHBondContact O-N 3.33Å
104	L	93.7	Very high	91.6	Very high	71 Å²	71	93.7 Å²	93.7	37%	0.372	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-42.4	177.2	-73.7	170.8	0	0	0	111.4	D100 W106 Q107 H108	D100-L104 WeakPolarHBondContact O-CB 3.39Å; D100-L104 VanDerWaalsContact O-CG 3.24Å; D100-L104 WeakPolarHBondContact O-CG 3.46Å; D100-L104 PolarHBondContact O-N 3.48Å; L104-W106 PolarHBondContact O-N 3.33Å; L104-Q107 PolarHBondContact O-N 3.48Å; L104-H108 PolarHBondContact O-CD2 2.97Å; L104-H108 PolarHBondContact O-N 3.2Å
105	H	91.1	Very high	92	Very high	95 Å²	95	95.8 Å²	95.8	44%	0.44	45%	0.449	S	S	.	.	H	α-helix	trans	-57	-51	175.4	177.8	75.9	0	0	0	110.7	Q101 I102 L103 Q107 H108 Y109	Q101-H105 WeakPolarHBondContact O-CB 3.22Å; Q101-H105 PolarHBondContact O-N 3Å; I102-H105 WeakPolarHBondContact O-CB 3.48Å; I102-H105 PolarHBondContact O-N 3.41Å; L103-H105 VanDerWaalsContact C-N 3.3Å; L103-H105 PolarHBondContact O-N 3.36Å; H105-Q107 PolarHBondContact O-N 2.89Å; H105-H108 PolarHBondContact O-N 3.36Å; H105-Y109 AromaticContact CE1-CD2 3.95Å; H105-Y109 AromaticContact NE2-CD2 3.78Å; H105-Y109 WeakPolarHBondContact O-CA 3.22Å; H105-Y109 WeakPolarHBondContact O-CB 3.33Å; H105-Y109 PolarHBondContact O-N 3.06Å
106	W	90	Very high	92.2	Very high	169 Å²	169	100 Å²	100	64%	0.64	47%	0.47	S	S	*	.	H	α-helix	trans	-61.8	-43	178.7	-67.1	-19.4	0	0	0	113.1	I102 L103 L104 H108 Y109	I102-W106 HydrophobicContact CG2-CD2 3.85Å; I102-W106 HydrophobicContact CG2-CE3 3.99Å; I102-W106 HydrophobicContact CG2-CH2 3.54Å; I102-W106 HydrophobicContact CG2-CZ2 3.37Å; I102-W106 HydrophobicContact CG2-CZ3 3.85Å; I102-W106 PolarHBondContact O-N 2.88Å; L103-W106 PolarHBondContact O-N 2.9Å; L104-W106 PolarHBondContact O-N 3.33Å; W106-H108 VanDerWaalsContact C-N 3.29Å; W106-H108 PolarHBondContact O-N 3.33Å; W106-Y109 PolarHBondContact O-N 3.11Å
107	Q	92.4	Very high	92.5	Very high	117 Å²	117	95.4 Å²	95.4	55%	0.547	46%	0.459	S	S	.	.	H	α-helix	trans	-59.5	-39.4	178.4	-75.6	177.8	-20.7	0	0	112.5	L103 L104 H105	L103-Q107 HydrophobicContact CD1-CG 4.45Å; L103-Q107 WeakPolarHBondContact O-CG 3.24Å; L103-Q107 PolarHBondContact O-N 3.33Å; L104-Q107 PolarHBondContact O-N 3.48Å; H105-Q107 PolarHBondContact O-N 2.89Å
108	H	92.7	Very high	92.6	Very high	90 Å²	90	93.3 Å²	93.3	42%	0.417	46%	0.456	S	S	.	.	H	α-helix	trans	-96.9	-11.1	-175.6	-62.2	-55.4	0	0	0	114.2	L104 H105 W106 M110 R111 K112	L104-H108 PolarHBondContact O-CD2 2.97Å; L104-H108 PolarHBondContact O-N 3.2Å; H105-H108 PolarHBondContact O-N 3.36Å; W106-H108 VanDerWaalsContact C-N 3.29Å; W106-H108 PolarHBondContact O-N 3.33Å; H108-M110 PolarHBondContact O-N 3.47Å; H108-R111 PolarHBondContact O-N 3.48Å; H108-K112 WeakPolarHBondContact O-CB 3.45Å; H108-K112 PolarHBondContact O-N 3.05Å
109	Y	90.9	Very high	92.6	Very high	96 Å²	96	98.6 Å²	98.6	38%	0.376	48%	0.479	S	S	.	.	H	α-helix	trans	-57	-51.7	-173	179.8	-111.2	0	0	0	113.2	H105 W106 R111 K112 R113	H105-Y109 AromaticContact CE1-CD2 3.95Å; H105-Y109 AromaticContact NE2-CD2 3.78Å; H105-Y109 WeakPolarHBondContact O-CA 3.22Å; H105-Y109 WeakPolarHBondContact O-CB 3.33Å; H105-Y109 PolarHBondContact O-N 3.06Å; W106-Y109 PolarHBondContact O-N 3.11Å; Y109-R111 PolarHBondContact O-N 3.32Å; Y109-K112 PolarHBondContact O-N 2.84Å; Y109-R113 HydrophobicContact CD2-CG 4.3Å; Y109-R113 HydrophobicContact CE1-CG 4.48Å; Y109-R113 VanDerWaalsContact CE2-CD 3.42Å; Y109-R113 HydrophobicContact CE2-CG 4.05Å; Y109-R113 WeakPolarHBondContact O-CB 3.28Å; Y109-R113 WeakPolarHBondContact O-CG 3.13Å; Y109-R113 PolarHBondContact O-N 3.48Å; Y109-R113 VanDerWaalsContact OH-CD 3.28Å; Y109-R113 WeakPolarHBondContact OH-CD 3.41Å
110	M	91	Very high	92.7	Very high	128 Å²	128	100.6 Å²	100.6	63%	0.631	49%	0.485	S	S	*	.	H	α-helix	trans	-64.7	-42.3	-176	-66.5	-57.4	173.9	0	0	112.2	H108 R113 A114	H108-M110 PolarHBondContact O-N 3.47Å; M110-R113 PolarHBondContact O-N 3.2Å; M110-A114 PolarHBondContact O-N 3.22Å
111	R	92.6	Very high	92.7	Very high	186 Å²	186	99.3 Å²	99.3	70%	0.702	48%	0.481	S	S	*	.	H	α-helix	trans	-64.1	-47.2	176.8	-174.5	-179	-63.7	144.4	2.6	111.5	H108 Y109 R113 A114 A115	H108-R111 PolarHBondContact O-N 3.48Å; Y109-R111 PolarHBondContact O-N 3.32Å; R111-R113 VanDerWaalsContact C-N 3.3Å; R111-R113 PolarHBondContact O-N 2.93Å; R111-A114 PolarHBondContact O-N 3.02Å; R111-A115 PolarHBondContact O-N 3.42Å
112	K	92.4	Very high	92.7	Very high	144 Å²	144	99.9 Å²	99.9	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-60.9	-40.9	178.1	-175.1	176.7	178.3	177.7	0	111.1	H108 Y109 A115 L116	H108-K112 WeakPolarHBondContact O-CB 3.45Å; H108-K112 PolarHBondContact O-N 3.05Å; Y109-K112 PolarHBondContact O-N 2.84Å; K112-A115 PolarHBondContact O-N 3.03Å; K112-L116 HydrophobicContact CG-CD1 4.24Å; K112-L116 WeakPolarHBondContact O-CG 3.49Å; K112-L116 PolarHBondContact O-N 2.92Å
113	R	93.2	Very high	92.6	Very high	107 Å²	107	104.7 Å²	104.7	40%	0.404	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-45.6	176.7	-80.1	-174.2	64.1	-145.3	9	113.1	Y109 M110 R111 A115 L116 I117	Y109-R113 HydrophobicContact CD2-CG 4.3Å; Y109-R113 HydrophobicContact CE1-CG 4.48Å; Y109-R113 VanDerWaalsContact CE2-CD 3.42Å; Y109-R113 HydrophobicContact CE2-CG 4.05Å; Y109-R113 WeakPolarHBondContact O-CB 3.28Å; Y109-R113 WeakPolarHBondContact O-CG 3.13Å; Y109-R113 PolarHBondContact O-N 3.48Å; Y109-R113 VanDerWaalsContact OH-CD 3.28Å; Y109-R113 WeakPolarHBondContact OH-CD 3.41Å; M110-R113 PolarHBondContact O-N 3.2Å; R111-R113 VanDerWaalsContact C-N 3.3Å; R111-R113 PolarHBondContact O-N 2.93Å; R113-A115 VanDerWaalsContact C-N 3.28Å; R113-A115 PolarHBondContact O-N 3.27Å; R113-L116 PolarHBondContact O-N 3.48Å; R113-I117 VanDerWaalsContact O-CG1 3.31Å; R113-I117 WeakPolarHBondContact O-CG1 3.33Å; R113-I117 PolarHBondContact O-N 2.99Å
114	A	93.8	Very high	92.5	Very high	61 Å²	61	104.7 Å²	104.7	50%	0.504	51%	0.509	S	S	.	.	H	α-helix	trans	-58	-44.2	176.4	0	0	0	0	0	111.2	M110 R111 I117 A118	M110-A114 PolarHBondContact O-N 3.22Å; R111-A114 PolarHBondContact O-N 3.02Å; A114-I117 PolarHBondContact O-N 3Å; A114-A118 WeakPolarHBondContact O-CB 3.32Å; A114-A118 PolarHBondContact O-N 3.35Å
115	A	94.6	Very high	92	Very high	63 Å²	63	107.2 Å²	107.2	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.1	0	0	0	0	0	113.1	R111 K112 R113 A118 K119	R111-A115 PolarHBondContact O-N 3.42Å; K112-A115 PolarHBondContact O-N 3.03Å; R113-A115 VanDerWaalsContact C-N 3.28Å; R113-A115 PolarHBondContact O-N 3.27Å; A115-A118 PolarHBondContact O-N 3.42Å; A115-K119 WeakPolarHBondContact O-CB 3.32Å; A115-K119 PolarHBondContact O-N 3.38Å
116	L	93.9	Very high	90.7	Very high	103 Å²	103	109.8 Å²	109.8	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-40.7	176.8	-74.3	171.6	0	0	0	112.6	K112 R113 K119 H120	K112-L116 HydrophobicContact CG-CD1 4.24Å; K112-L116 WeakPolarHBondContact O-CG 3.49Å; K112-L116 PolarHBondContact O-N 2.92Å; R113-L116 PolarHBondContact O-N 3.48Å; L116-K119 PolarHBondContact O-N 3.22Å; L116-H120 PolarHBondContact O-N 3.4Å
117	I	94.7	Very high	89.4	Confident	98 Å²	98	107 Å²	107	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-46	176.6	-68	166.7	0	0	0	110	R113 A114 K119 H120 V121	R113-I117 VanDerWaalsContact O-CG1 3.31Å; R113-I117 WeakPolarHBondContact O-CG1 3.33Å; R113-I117 PolarHBondContact O-N 2.99Å; A114-I117 PolarHBondContact O-N 3Å; I117-K119 VanDerWaalsContact C-N 3.33Å; I117-K119 PolarHBondContact O-N 3.47Å; I117-H120 PolarHBondContact O-N 3.45Å; I117-V121 HydrophobicContact CG2-CG2 4.38Å; I117-V121 VanDerWaalsContact O-CG2 3.32Å; I117-V121 WeakPolarHBondContact O-CG2 3.37Å; I117-V121 PolarHBondContact O-N 3.42Å
118	A	94	Very high	87.8	Confident	47 Å²	47	111.5 Å²	111.5	39%	0.388	57%	0.574	S	S	.	*	H	α-helix	trans	-57.4	-46.6	176.8	0	0	0	0	0	111.5	A114 A115 H120 V121 E122	A114-A118 WeakPolarHBondContact O-CB 3.32Å; A114-A118 PolarHBondContact O-N 3.35Å; A115-A118 PolarHBondContact O-N 3.42Å; A118-H120 PolarHBondContact O-N 2.89Å; A118-V121 PolarHBondContact O-N 3.4Å; A118-E122 WeakPolarHBondContact O-CG 3.31Å; A118-E122 PolarHBondContact O-N 2.95Å
119	K	93.7	Very high	87.6	Confident	118 Å²	118	112.6 Å²	112.6	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-59.3	-44.4	176.4	-170.3	-174.8	-179.1	-154.8	0	112.5	A115 L116 I117 V121 E122 E123	A115-K119 WeakPolarHBondContact O-CB 3.32Å; A115-K119 PolarHBondContact O-N 3.38Å; L116-K119 PolarHBondContact O-N 3.22Å; I117-K119 VanDerWaalsContact C-N 3.33Å; I117-K119 PolarHBondContact O-N 3.47Å; K119-V121 VanDerWaalsContact C-N 3.33Å; K119-V121 PolarHBondContact O-N 3.37Å; K119-E122 PolarHBondContact O-N 2.96Å; K119-E123 WeakPolarHBondContact CE-OE1 3.39Å; K119-E123 IonicContact NZ-OE1 3.47Å; K119-E123 PolarHBondContact NZ-OE1 3.09Å; K119-E123 WeakPolarHBondContact O-CG 3.35Å; K119-E123 PolarHBondContact O-N 3.41Å
120	H	93.5	Very high	87.4	Confident	116 Å²	116	113.5 Å²	113.5	54%	0.537	59%	0.592	S	S	.	*	H	α-helix	trans	-65.6	-36.5	178	-175.1	65.8	0	0	0	112.5	L116 I117 A118 E123 T124	L116-H120 PolarHBondContact O-N 3.4Å; I117-H120 PolarHBondContact O-N 3.45Å; A118-H120 PolarHBondContact O-N 2.89Å; H120-E123 PolarHBondContact O-N 3.35Å; H120-T124 WeakPolarHBondContact O-CB 3.39Å; H120-T124 WeakPolarHBondContact O-CG2 3.46Å; H120-T124 PolarHBondContact O-N 3.47Å; H120-T124 PolarHBondContact O-OG1 3Å
121	V	93.6	Very high	87.2	Confident	65 Å²	65	112.7 Å²	112.7	39%	0.394	59%	0.59	S	S	.	*	H	α-helix	trans	-65.1	-41	173.6	171.8	0	0	0	0	111	I117 A118 K119 T124 I125	I117-V121 HydrophobicContact CG2-CG2 4.38Å; I117-V121 VanDerWaalsContact O-CG2 3.32Å; I117-V121 WeakPolarHBondContact O-CG2 3.37Å; I117-V121 PolarHBondContact O-N 3.42Å; A118-V121 PolarHBondContact O-N 3.4Å; K119-V121 VanDerWaalsContact C-N 3.33Å; K119-V121 PolarHBondContact O-N 3.37Å; V121-T124 WeakPolarHBondContact CA-OG1 2.93Å; V121-T124 PolarHBondContact O-N 3.35Å; V121-T124 PolarHBondContact O-OG1 2.93Å; V121-I125 HydrophobicContact CG1-CD1 3.49Å; V121-I125 VanDerWaalsContact CG1-CD1 3.49Å; V121-I125 HydrophobicContact CG1-CG1 4.29Å; V121-I125 WeakPolarHBondContact O-CB 3.31Å; V121-I125 VanDerWaalsContact O-CG1 3.31Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 2.93Å
122	E	91.1	Very high	86.9	Confident	120 Å²	120	108.4 Å²	108.4	56%	0.561	58%	0.584	S	S	*	*	H	α-helix	trans	-62.7	-45.5	174.6	-72.3	169.3	-170.4	0	0	112	A118 K119 T124 I125 Q126	A118-E122 WeakPolarHBondContact O-CG 3.31Å; A118-E122 PolarHBondContact O-N 2.95Å; K119-E122 PolarHBondContact O-N 2.96Å; E122-T124 VanDerWaalsContact C-N 3.27Å; E122-T124 PolarHBondContact O-N 3.46Å; E122-I125 PolarHBondContact O-N 3.46Å; E122-Q126 PolarHBondContact O-N 3.43Å; E122-Q126 VanDerWaalsContact O-N 3.09Å
123	E	90.2	Very high	86.5	Confident	118 Å²	118	106.1 Å²	106.1	55%	0.551	58%	0.581	S	S	*	*	H	α-helix	trans	-63.5	-27.9	176.7	-72.6	170.8	-177.3	0	0	113.2	K119 H120	K119-E123 WeakPolarHBondContact CE-OE1 3.39Å; K119-E123 IonicContact NZ-OE1 3.47Å; K119-E123 PolarHBondContact NZ-OE1 3.09Å; K119-E123 WeakPolarHBondContact O-CG 3.35Å; K119-E123 PolarHBondContact O-N 3.41Å; H120-E123 PolarHBondContact O-N 3.35Å
124	T	89.5	Confident	86.1	Confident	86 Å²	86	106.1 Å²	106.1	53%	0.528	59%	0.593	S	S	.	*	H	α-helix	trans	-90.2	-27.5	-179.6	48.1	0	0	0	0	113.4	H120 V121 E122	H120-T124 WeakPolarHBondContact O-CB 3.39Å; H120-T124 WeakPolarHBondContact O-CG2 3.46Å; H120-T124 PolarHBondContact O-N 3.47Å; H120-T124 PolarHBondContact O-OG1 3Å; V121-T124 WeakPolarHBondContact CA-OG1 2.93Å; V121-T124 PolarHBondContact O-N 3.35Å; V121-T124 PolarHBondContact O-OG1 2.93Å; E122-T124 VanDerWaalsContact C-N 3.27Å; E122-T124 PolarHBondContact O-N 3.46Å
125	I	82.8	Confident	85.5	Confident	124 Å²	124	109.3 Å²	109.3	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-89.6	-22.5	-179.8	-64.8	176	0	0	0	112.4	V121 E122 P127	V121-I125 HydrophobicContact CG1-CD1 3.49Å; V121-I125 VanDerWaalsContact CG1-CD1 3.49Å; V121-I125 HydrophobicContact CG1-CG1 4.29Å; V121-I125 WeakPolarHBondContact O-CB 3.31Å; V121-I125 VanDerWaalsContact O-CG1 3.31Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 2.93Å; E122-I125 PolarHBondContact O-N 3.46Å; I125-P127 WeakPolarHBondContact O-CD 3.41Å
126	Q	63.9	Low	84.8	Confident	149 Å²	149	112.8 Å²	112.8	70%	0.696	61%	0.605	S	S	*	*			trans	-100.5	79.4	172.6	-61.2	-164.2	32.9	0	0	111.1	E122 T128	E122-Q126 PolarHBondContact O-N 3.43Å; E122-Q126 VanDerWaalsContact O-N 3.09Å; Q126-T128 PolarHBondContact O-N 3.06Å
127	P	62.7	Low	84.1	Confident	112 Å²	112	113.7 Å²	113.7	73%	0.727	61%	0.611	S	S	*	*			trans	-64.2	126.9	159.5	29.7	-29.6	0	0	0	107.1	I125	I125-P127 WeakPolarHBondContact O-CD 3.41Å
128	T	59.3	Low	83.1	Confident	211 Å²	211	115.1 Å²	115.1	100%	1.294	62%	0.621	S	S	*	*			trans	-52.8	0	167.8	-55.3	0	0	0	0	110.8	Q126	Q126-T128 PolarHBondContact O-N 3.06Å

Retrieved 128 of 128 residues in 101.7 ms (Link to these results)

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