A0A5K4F2T5_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 A0A5K4F2T5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 aa.

						>A0A5K4F2T5_SCHMA|A0A5K4F2T5
MQSRSRPQNNLKNFGLDESRNRFQIELEFVQCLANPSYLNCLFIFFYSLLVLAQQGWFEKPNFIKYLKYLLYWKDPAYSRYLIYPYCLHLLDLLQHAEFRSALARGQICRMIDDQILLHWQHYMRKRAALIAKHVEETIQPT
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.8	Very low	47.1	Very low	225 Å²	225	157.4 Å²	157.4	100%	1.108	79%	0.791	S	S	*	*				0	124.9	0	-84.9	171.7	141.7	0	0	108.9
2	Q	44.3	Very low	47.8	Very low	161 Å²	161	160.8 Å²	160.8	75%	0.752	80%	0.797	S	S	*	*			trans	65.2	93.6	146.6	-63.8	167.9	10.4	0	0	118.6
3	S	36.9	Very low	48.3	Very low	117 Å²	117	156.9 Å²	156.9	82%	0.818	78%	0.782	S	S	*	*			trans	-71.5	122.2	152.1	46.7	0	0	0	0	110.5
4	R	43.3	Very low	48.6	Very low	224 Å²	224	153.1 Å²	153.1	85%	0.845	76%	0.758	S	S	*	*			trans	-132	97.9	160.6	-76.7	-176.3	176.2	-178.6	-1.2	106
5	S	46.7	Very low	49.6	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	73%	0.732	S	S	*	*				69.2	105.8	83.1	-54.2	0	0	0	0	114
6	R	46.4	Very low	50.6	Low	229 Å²	229	144.3 Å²	144.3	86%	0.864	73%	0.729	S	S	*	*			trans	70.6	160.7	150	-72.6	-175.9	-176.6	-176.4	1.5	116.4
7	P	51.6	Low	52	Low	111 Å²	111	139.6 Å²	139.6	72%	0.721	71%	0.707	S	S	*	*			cis	-142.1	157.9	23.4	27.5	-1.9	0	0	0	118.5	N9	P7-N9 PolarHBondContact O-N 3.38Å
8	Q	43.2	Very low	53.4	Low	162 Å²	162	137.9 Å²	137.9	76%	0.757	70%	0.696	S	S	*	*			trans	-86.1	81	-178.4	-67.4	162.6	-48.7	0	0	112.9
9	N	51.6	Low	54.8	Low	150 Å²	150	134.8 Å²	134.8	80%	0.802	69%	0.688	S	S	*	*			trans	-118.2	9.2	173.6	-95.3	1.6	0	0	0	114.8	P7	P7-N9 PolarHBondContact O-N 3.38Å
10	N	49.9	Very low	56.2	Low	101 Å²	101	136.9 Å²	136.9	54%	0.54	69%	0.687	S	S	.	*			trans	-113.8	5	-160	-76.1	-3.1	0	0	0	116.9	K12 F14	N10-K12 PolarHBondContact O-N 3.3Å; N10-F14 HydrophobicContact CB-CD2 3.79Å; N10-F14 HydrophobicContact CB-CE2 4.05Å; N10-F14 VanDerWaalsContact O-CB 3.31Å; N10-F14 WeakPolarHBondContact O-CB 3.44Å; N10-F14 WeakPolarHBondContact O-CD2 3.31Å; N10-F14 PolarHBondContact O-N 3.18Å
11	L	55.4	Low	57.5	Low	147 Å²	147	134.7 Å²	134.7	77%	0.77	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-14.4	-157.4	-84	145.5	0	0	0	118.2
12	K	55	Low	59.4	Low	198 Å²	198	130.4 Å²	130.4	86%	0.861	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-29.2	176.7	-73.7	-175.5	179.1	-179.3	0	114.2	N10	N10-K12 PolarHBondContact O-N 3.3Å
13	N	54.5	Low	61.5	Low	111 Å²	111	125.5 Å²	125.5	59%	0.594	63%	0.625	S	S	*	*	H	α-helix	trans	-71.7	-24.9	170.7	-68.8	-5.8	0	0	0	111.2	G15 L16 D17	N13-G15 VanDerWaalsContact C-N 3.33Å; N13-G15 PolarHBondContact O-N 3.42Å; N13-L16 PolarHBondContact O-N 2.8Å; N13-D17 WeakPolarHBondContact CB-OD2 3.35Å; N13-D17 VanDerWaalsContact O-CB 3.31Å; N13-D17 WeakPolarHBondContact O-CB 3.48Å; N13-D17 PolarHBondContact O-N 2.87Å; N13-D17 VanDerWaalsContact O-OD2 3.14Å
14	F	53.3	Low	63.9	Low	103 Å²	103	123.7 Å²	123.7	45%	0.452	60%	0.604	S	S	.	*	H	α-helix	trans	-50.9	-45	-179.9	-125.5	-113.4	0	0	0	113.8	N10 D17 E18	N10-F14 HydrophobicContact CB-CD2 3.79Å; N10-F14 HydrophobicContact CB-CE2 4.05Å; N10-F14 VanDerWaalsContact O-CB 3.31Å; N10-F14 WeakPolarHBondContact O-CB 3.44Å; N10-F14 WeakPolarHBondContact O-CD2 3.31Å; N10-F14 PolarHBondContact O-N 3.18Å; F14-D17 PolarHBondContact O-N 2.81Å; F14-E18 HydrophobicContact CD1-CG 4.2Å; F14-E18 WeakPolarHBondContact CD1-OE1 3.23Å; F14-E18 WeakPolarHBondContact CE1-OE1 3.47Å; F14-E18 WeakPolarHBondContact O-CA 3.05Å; F14-E18 WeakPolarHBondContact O-CB 3.21Å; F14-E18 WeakPolarHBondContact O-CG 3.25Å; F14-E18 PolarHBondContact O-N 3.28Å
15	G	63.7	Low	66.1	Low	36 Å²	36	118 Å²	118	37%	0.371	59%	0.589	S	S	.	*	H	α-helix	trans	-71.1	-34.2	-176.3	0	0	0	0	0	114.6	N13 S19	N13-G15 VanDerWaalsContact C-N 3.33Å; N13-G15 PolarHBondContact O-N 3.42Å; G15-S19 WeakPolarHBondContact O-CB 2.98Å; G15-S19 PolarHBondContact O-N 3.42Å; G15-S19 VanDerWaalsContact O-N 3.14Å; G15-S19 PolarHBondContact O-OG 2.68Å
16	L	65.7	Low	68.1	Low	130 Å²	130	113.5 Å²	113.5	68%	0.681	56%	0.556	S	S	*	*	H	α-helix	trans	-75.6	-41.2	174.7	-69.4	178.2	0	0	0	110.9	N13 S19 R20	N13-L16 PolarHBondContact O-N 2.8Å; L16-S19 PolarHBondContact O-N 3.07Å; L16-R20 WeakPolarHBondContact O-CB 3.39Å; L16-R20 PolarHBondContact O-N 3.24Å
17	D	73.2	Confident	70	Confident	65 Å²	65	103.3 Å²	103.3	35%	0.348	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-40.8	176	-66.9	-29	0	0	0	110.7	N13 F14 R20 N21	N13-D17 WeakPolarHBondContact CB-OD2 3.35Å; N13-D17 VanDerWaalsContact O-CB 3.31Å; N13-D17 WeakPolarHBondContact O-CB 3.48Å; N13-D17 PolarHBondContact O-N 2.87Å; N13-D17 VanDerWaalsContact O-OD2 3.14Å; F14-D17 PolarHBondContact O-N 2.81Å; D17-R20 PolarHBondContact O-N 2.77Å; D17-N21 WeakPolarHBondContact O-CA 3.4Å; D17-N21 WeakPolarHBondContact O-CB 3.45Å; D17-N21 PolarHBondContact O-N 2.75Å; D17-N21 PolarHBondContact O-ND2 3.46Å; D17-N21 VanDerWaalsContact O-ND2 3.1Å; D17-N21 PolarHBondContact O-OD1 3.46Å
18	E	78.2	Confident	71.8	Confident	109 Å²	109	102.7 Å²	102.7	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-43.9	173.6	-81.9	174.2	174.2	0	0	111.7	F14 N21 R22	F14-E18 HydrophobicContact CD1-CG 4.2Å; F14-E18 WeakPolarHBondContact CD1-OE1 3.23Å; F14-E18 WeakPolarHBondContact CE1-OE1 3.47Å; F14-E18 WeakPolarHBondContact O-CA 3.05Å; F14-E18 WeakPolarHBondContact O-CB 3.21Å; F14-E18 WeakPolarHBondContact O-CG 3.25Å; F14-E18 PolarHBondContact O-N 3.28Å; E18-N21 PolarHBondContact O-N 3.21Å; E18-R22 VanDerWaalsContact O-CB 3.28Å; E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 PolarHBondContact O-N 3.1Å
19	S	79.1	Confident	73.8	Confident	79 Å²	79	97 Å²	97	55%	0.552	48%	0.479	S	S	*	.	H	α-helix	trans	-67.7	-40.4	179.3	-59.3	0	0	0	0	111.4	G15 L16 F23	G15-S19 WeakPolarHBondContact O-CB 2.98Å; G15-S19 PolarHBondContact O-N 3.42Å; G15-S19 VanDerWaalsContact O-N 3.14Å; G15-S19 PolarHBondContact O-OG 2.68Å; L16-S19 PolarHBondContact O-N 3.07Å; S19-F23 WeakPolarHBondContact O-CB 3.45Å; S19-F23 PolarHBondContact O-N 3.03Å
20	R	82.7	Confident	75.5	Confident	176 Å²	176	89.8 Å²	89.8	66%	0.664	44%	0.441	S	S	*	.	H	α-helix	trans	-66.2	-43.2	173.3	-174.6	-176	-64.9	-178.6	0.8	111.5	L16 D17 F23 Q24	L16-R20 WeakPolarHBondContact O-CB 3.39Å; L16-R20 PolarHBondContact O-N 3.24Å; D17-R20 PolarHBondContact O-N 2.77Å; R20-F23 PolarHBondContact O-N 2.88Å; R20-Q24 WeakPolarHBondContact O-CB 3.19Å; R20-Q24 PolarHBondContact O-N 3.22Å
21	N	85.1	Confident	77.1	Confident	90 Å²	90	86.4 Å²	86.4	48%	0.481	42%	0.422	S	S	.	.	H	α-helix	trans	-63.9	-43.9	177.7	-74.1	-20.9	0	0	0	110.4	D17 E18 F23 Q24 I25	D17-N21 WeakPolarHBondContact O-CA 3.4Å; D17-N21 WeakPolarHBondContact O-CB 3.45Å; D17-N21 PolarHBondContact O-N 2.75Å; D17-N21 PolarHBondContact O-ND2 3.46Å; D17-N21 VanDerWaalsContact O-ND2 3.1Å; D17-N21 PolarHBondContact O-OD1 3.46Å; E18-N21 PolarHBondContact O-N 3.21Å; N21-F23 PolarHBondContact O-N 2.74Å; N21-Q24 PolarHBondContact O-N 2.72Å; N21-I25 WeakPolarHBondContact O-CB 3.5Å; N21-I25 WeakPolarHBondContact O-CD1 3.37Å; N21-I25 WeakPolarHBondContact O-CG1 3.11Å; N21-I25 PolarHBondContact O-N 2.71Å
22	R	87.6	Confident	78.5	Confident	136 Å²	136	81.7 Å²	81.7	51%	0.513	40%	0.401	S	S	.	.	H	α-helix	trans	-58.5	-47.9	174.4	-179.6	179.4	175.8	-161.8	-3	111.1	E18 Q24 I25 E26 Y69	E18-R22 VanDerWaalsContact O-CB 3.28Å; E18-R22 WeakPolarHBondContact O-CB 3.26Å; E18-R22 PolarHBondContact O-N 3.1Å; R22-Q24 VanDerWaalsContact C-N 3.35Å; R22-Q24 PolarHBondContact O-N 2.68Å; R22-I25 PolarHBondContact O-N 2.89Å; R22-E26 HydrophobicContact CG-CG 4.38Å; R22-E26 WeakPolarHBondContact CG-OE1 3.31Å; R22-E26 IonicContact CZ-OE1 3.47Å; R22-E26 IonicContact NE-OE1 2.76Å; R22-E26 PolarHBondContact NE-OE1 2.71Å; R22-E26 IonicContact NH2-OE1 3.32Å; R22-E26 PolarHBondContact NH2-OE1 3.39Å; R22-E26 WeakPolarHBondContact O-CB 3.31Å; R22-E26 VanDerWaalsContact O-CG 3.28Å; R22-E26 WeakPolarHBondContact O-CG 3.44Å; R22-E26 PolarHBondContact O-N 3.04Å; R22-Y69 PolarHBondContact NH2-OH 3.36Å
23	F	88.4	Confident	79.7	Confident	57 Å²	57	72.4 Å²	72.4	25%	0.25	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-45.3	176.8	-179.2	-96.1	0	0	0	112.1	S19 R20 N21 E26 L27 W73 Y78 Y81	S19-F23 WeakPolarHBondContact O-CB 3.45Å; S19-F23 PolarHBondContact O-N 3.03Å; R20-F23 PolarHBondContact O-N 2.88Å; N21-F23 PolarHBondContact O-N 2.74Å; F23-E26 PolarHBondContact O-N 3.14Å; F23-L27 VanDerWaalsContact O-CB 3.23Å; F23-L27 WeakPolarHBondContact O-CB 3.09Å; F23-L27 PolarHBondContact O-N 3.22Å; F23-W73 AromaticContact CD2-CH2 3.85Å; F23-W73 HydrophobicContact CD2-CH2 3.85Å; F23-W73 HydrophobicContact CD2-CZ2 4.32Å; F23-W73 HydrophobicContact CE1-CH2 4.06Å; F23-W73 AromaticContact CE2-CH2 3.27Å; F23-W73 HydrophobicContact CE2-CH2 3.27Å; F23-W73 HydrophobicContact CE2-CZ2 4.1Å; F23-W73 AromaticContact CE2-CZ3 3.79Å; F23-W73 HydrophobicContact CE2-CZ3 3.79Å; F23-W73 HydrophobicContact CG-CH2 4.46Å; F23-W73 AromaticContact CZ-CH2 3.4Å; F23-W73 HydrophobicContact CZ-CH2 3.4Å; F23-W73 VanDerWaalsContact CZ-CH2 3.4Å; F23-W73 AromaticContact CZ-CZ3 3.73Å; F23-W73 HydrophobicContact CZ-CZ3 3.73Å; F23-Y78 AromaticContact CE2-CD1 3.92Å; F23-Y78 HydrophobicContact CE2-CD1 3.92Å; F23-Y78 HydrophobicContact CE2-CE1 4.38Å; F23-Y81 HydrophobicContact CE1-CD2 4.46Å; F23-Y81 HydrophobicContact CE1-CG 4.48Å; F23-Y81 AromaticContact CZ-CD2 3.75Å; F23-Y81 HydrophobicContact CZ-CD2 3.75Å; F23-Y81 HydrophobicContact CZ-CE2 4.03Å; F23-Y81 HydrophobicContact CZ-CG 4.15Å
24	Q	88.1	Confident	80.7	Confident	80 Å²	80	67.7 Å²	67.7	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-44.4	177.9	-174.9	63.7	33.8	0	0	111.8	R20 N21 R22 L27 E28	R20-Q24 WeakPolarHBondContact O-CB 3.19Å; R20-Q24 PolarHBondContact O-N 3.22Å; N21-Q24 PolarHBondContact O-N 2.72Å; R22-Q24 VanDerWaalsContact C-N 3.35Å; R22-Q24 PolarHBondContact O-N 2.68Å; Q24-L27 WeakPolarHBondContact O-CB 3.13Å; Q24-L27 PolarHBondContact O-N 2.83Å; Q24-E28 PolarHBondContact NE2-OE1 3.36Å; Q24-E28 WeakPolarHBondContact O-CB 3.06Å; Q24-E28 WeakPolarHBondContact O-CG 3.29Å; Q24-E28 PolarHBondContact O-N 2.8Å
25	I	87.9	Confident	81.7	Confident	105 Å²	105	66.8 Å²	66.8	54%	0.538	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-44.2	177.4	-69.6	162.5	0	0	0	110.4	N21 R22 L27 E28 F29	N21-I25 WeakPolarHBondContact O-CB 3.5Å; N21-I25 WeakPolarHBondContact O-CD1 3.37Å; N21-I25 WeakPolarHBondContact O-CG1 3.11Å; N21-I25 PolarHBondContact O-N 2.71Å; R22-I25 PolarHBondContact O-N 2.89Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 3.35Å; I25-E28 PolarHBondContact O-N 2.77Å; I25-F29 WeakPolarHBondContact O-CB 3.12Å; I25-F29 PolarHBondContact O-N 2.8Å
26	E	89	Confident	82	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-39	177.1	-73.1	174.2	-177	0	0	110.9	R22 F23 F29 V30 Y69 L70 Y72 W73	R22-E26 HydrophobicContact CG-CG 4.38Å; R22-E26 WeakPolarHBondContact CG-OE1 3.31Å; R22-E26 IonicContact CZ-OE1 3.47Å; R22-E26 IonicContact NE-OE1 2.76Å; R22-E26 PolarHBondContact NE-OE1 2.71Å; R22-E26 IonicContact NH2-OE1 3.32Å; R22-E26 PolarHBondContact NH2-OE1 3.39Å; R22-E26 WeakPolarHBondContact O-CB 3.31Å; R22-E26 VanDerWaalsContact O-CG 3.28Å; R22-E26 WeakPolarHBondContact O-CG 3.44Å; R22-E26 PolarHBondContact O-N 3.04Å; F23-E26 PolarHBondContact O-N 3.14Å; E26-F29 PolarHBondContact O-N 3.47Å; E26-V30 WeakPolarHBondContact O-CB 2.83Å; E26-V30 VanDerWaalsContact O-CG2 3.3Å; E26-V30 WeakPolarHBondContact O-CG2 3.05Å; E26-V30 PolarHBondContact O-N 3.28Å; E26-Y69 VanDerWaalsContact CD-CE1 3.45Å; E26-Y69 HydrophobicContact CG-CE1 4.5Å; E26-Y69 VanDerWaalsContact OE1-CE1 3.25Å; E26-Y69 WeakPolarHBondContact OE1-CE1 3.48Å; E26-Y69 PolarHBondContact OE1-OH 3.23Å; E26-Y69 VanDerWaalsContact OE2-CE1 3.32Å; E26-Y69 WeakPolarHBondContact OE2-CE1 3.16Å; E26-Y69 PolarHBondContact OE2-OH 3.13Å; E26-L70 HydrophobicContact CB-CD2 4.28Å; E26-L70 HydrophobicContact CG-CD2 4.36Å; E26-Y72 PolarHBondContact OE2-OH 2.73Å; E26-W73 HydrophobicContact CB-CZ2 4.05Å
27	L	87.8	Confident	82.1	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-49.1	176.1	-178.6	68.5	0	0	0	112	F23 Q24 I25 F29 V30 Q31 W73 L82	F23-L27 VanDerWaalsContact O-CB 3.23Å; F23-L27 WeakPolarHBondContact O-CB 3.09Å; F23-L27 PolarHBondContact O-N 3.22Å; Q24-L27 WeakPolarHBondContact O-CB 3.13Å; Q24-L27 PolarHBondContact O-N 2.83Å; I25-L27 VanDerWaalsContact C-N 3.32Å; I25-L27 PolarHBondContact O-N 3.35Å; L27-F29 VanDerWaalsContact C-N 3.34Å; L27-V30 PolarHBondContact O-N 3.41Å; L27-Q31 WeakPolarHBondContact O-CB 3.12Å; L27-Q31 VanDerWaalsContact O-CG 3.29Å; L27-Q31 WeakPolarHBondContact O-CG 3.06Å; L27-Q31 PolarHBondContact O-N 2.79Å; L27-Q31 PolarHBondContact O-NE2 3.39Å; L27-W73 HydrophobicContact CB-CH2 3.62Å; L27-W73 HydrophobicContact CB-CZ2 3.85Å; L27-W73 HydrophobicContact CB-CZ3 4.48Å; L27-W73 HydrophobicContact CD1-CE3 4.23Å; L27-W73 HydrophobicContact CD1-CH2 3.54Å; L27-W73 HydrophobicContact CD1-CZ2 4.27Å; L27-W73 HydrophobicContact CD1-CZ3 3.51Å; L27-W73 HydrophobicContact CG-CH2 4.13Å; L27-L82 HydrophobicContact CD1-CD2 3.82Å
28	E	87.4	Confident	82	Confident	99 Å²	99	63 Å²	63	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-43.2	176.1	-76	174.8	-165.6	0	0	110.8	Q24 I25 V30 Q31 C32	Q24-E28 PolarHBondContact NE2-OE1 3.36Å; Q24-E28 WeakPolarHBondContact O-CB 3.06Å; Q24-E28 WeakPolarHBondContact O-CG 3.29Å; Q24-E28 PolarHBondContact O-N 2.8Å; I25-E28 PolarHBondContact O-N 2.77Å; E28-V30 PolarHBondContact O-N 2.86Å; E28-Q31 PolarHBondContact O-N 3.32Å; E28-C32 WeakPolarHBondContact O-CB 2.95Å; E28-C32 PolarHBondContact O-N 2.87Å; E28-C32 PolarHBondContact O-SG 2.8Å
29	F	86.2	Confident	81.5	Confident	41 Å²	41	58.1 Å²	58.1	18%	0.18	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-48.6	177.5	179.7	-99.5	0	0	0	111.8	I25 E26 L27 Q31 C32 L33 Y66 L70	I25-F29 WeakPolarHBondContact O-CB 3.12Å; I25-F29 PolarHBondContact O-N 2.8Å; E26-F29 PolarHBondContact O-N 3.47Å; L27-F29 VanDerWaalsContact C-N 3.34Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 3.47Å; F29-C32 WeakPolarHBondContact O-CB 3.12Å; F29-C32 PolarHBondContact O-N 3.09Å; F29-L33 HydrophobicContact CD1-CD1 4.47Å; F29-L33 HydrophobicContact CE1-CD1 4.06Å; F29-L33 HydrophobicContact CE1-CD2 4.36Å; F29-L33 HydrophobicContact CE1-CG 4.33Å; F29-L33 HydrophobicContact CZ-CD2 4.23Å; F29-L33 WeakPolarHBondContact O-CG 3.46Å; F29-L33 PolarHBondContact O-N 2.85Å; F29-Y66 HydrophobicContact CD1-CE1 4.1Å; F29-Y66 HydrophobicContact CE1-CD1 4.43Å; F29-Y66 AromaticContact CE1-CE1 3.79Å; F29-Y66 HydrophobicContact CE1-CE1 3.79Å; F29-Y66 HydrophobicContact CZ-CE1 4.28Å; F29-L70 HydrophobicContact CD1-CD1 3.61Å; F29-L70 HydrophobicContact CE1-CD1 3.49Å; F29-L70 VanDerWaalsContact CE1-CD1 3.49Å
30	V	86.5	Confident	81	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-39.8	178.3	169.7	0	0	0	0	111.4	E26 L27 E28 L33 L70 W73 L82 C87	E26-V30 WeakPolarHBondContact O-CB 2.83Å; E26-V30 VanDerWaalsContact O-CG2 3.3Å; E26-V30 WeakPolarHBondContact O-CG2 3.05Å; E26-V30 PolarHBondContact O-N 3.28Å; L27-V30 PolarHBondContact O-N 3.41Å; E28-V30 PolarHBondContact O-N 2.86Å; V30-L33 WeakPolarHBondContact O-CB 3.22Å; V30-L33 PolarHBondContact O-N 3.31Å; V30-L70 HydrophobicContact CG2-CB 4.29Å; V30-L70 HydrophobicContact CG2-CD1 4.01Å; V30-L70 HydrophobicContact CG2-CD2 3.79Å; V30-L70 HydrophobicContact CG2-CG 4.25Å; V30-W73 HydrophobicContact CG2-CG 4.33Å; V30-L82 HydrophobicContact CG1-CD2 3.97Å; V30-C87 HydrophobicContact CG1-CB 3.9Å; V30-C87 VanDerWaalsContact CG1-SG 3.57Å; V30-C87 WeakPolarHBondContact O-CB 3.27Å
31	Q	85.4	Confident	80.2	Confident	30 Å²	30	50.9 Å²	50.9	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-67.5	-36.6	175.3	-71.7	-178.4	103.5	0	0	112.5	L27 E28 F29 L33 A34 L82 I83 Y84	L27-Q31 WeakPolarHBondContact O-CB 3.12Å; L27-Q31 VanDerWaalsContact O-CG 3.29Å; L27-Q31 WeakPolarHBondContact O-CG 3.06Å; L27-Q31 PolarHBondContact O-N 2.79Å; L27-Q31 PolarHBondContact O-NE2 3.39Å; E28-Q31 PolarHBondContact O-N 3.32Å; F29-Q31 VanDerWaalsContact C-N 3.33Å; F29-Q31 PolarHBondContact O-N 3.47Å; Q31-L33 PolarHBondContact O-N 2.82Å; Q31-A34 VanDerWaalsContact O-CB 3.31Å; Q31-A34 WeakPolarHBondContact O-CB 3.43Å; Q31-A34 PolarHBondContact O-N 3.43Å; Q31-A34 VanDerWaalsContact O-N 3.07Å; Q31-L82 HydrophobicContact CG-CD2 4.28Å; Q31-I83 VanDerWaalsContact OE1-CB 3.27Å; Q31-Y84 HydrophobicContact CB-CD2 4.37Å; Q31-Y84 HydrophobicContact CG-CD2 4.46Å
32	C	83.6	Confident	79.4	Confident	48 Å²	48	47.5 Å²	47.5	32%	0.324	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-33.2	173	-72.6	0	0	0	0	111.5	E28 F29 A34 N35 Y38	E28-C32 WeakPolarHBondContact O-CB 2.95Å; E28-C32 PolarHBondContact O-N 2.87Å; E28-C32 PolarHBondContact O-SG 2.8Å; F29-C32 WeakPolarHBondContact O-CB 3.12Å; F29-C32 PolarHBondContact O-N 3.09Å; C32-A34 PolarHBondContact O-N 3.5Å; C32-N35 PolarHBondContact O-N 3.49Å; C32-N35 VanDerWaalsContact O-N 3.15Å; C32-Y38 VanDerWaalsContact C-CD1 3.49Å; C32-Y38 HydrophobicContact CB-CD1 3.71Å; C32-Y38 HydrophobicContact CB-CD2 4.19Å; C32-Y38 HydrophobicContact CB-CE1 3.57Å; C32-Y38 HydrophobicContact CB-CE2 4.08Å; C32-Y38 HydrophobicContact CB-CG 4.01Å; C32-Y38 VanDerWaalsContact O-CB 3.32Å; C32-Y38 WeakPolarHBondContact O-CB 3.28Å; C32-Y38 WeakPolarHBondContact O-CD1 3.14Å
33	L	80.3	Confident	78.4	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-40.1	173.1	-62.9	175.1	0	0	0	110.9	F29 V30 Q31 N35 L39 L90 L91 L94	F29-L33 HydrophobicContact CD1-CD1 4.47Å; F29-L33 HydrophobicContact CE1-CD1 4.06Å; F29-L33 HydrophobicContact CE1-CD2 4.36Å; F29-L33 HydrophobicContact CE1-CG 4.33Å; F29-L33 HydrophobicContact CZ-CD2 4.23Å; F29-L33 WeakPolarHBondContact O-CG 3.46Å; F29-L33 PolarHBondContact O-N 2.85Å; V30-L33 WeakPolarHBondContact O-CB 3.22Å; V30-L33 PolarHBondContact O-N 3.31Å; Q31-L33 PolarHBondContact O-N 2.82Å; L33-N35 PolarHBondContact O-N 3.5Å; L33-L39 HydrophobicContact CD2-CD2 3.73Å; L33-L90 HydrophobicContact CB-CD2 4.45Å; L33-L90 WeakPolarHBondContact O-CD2 3.43Å; L33-L91 HydrophobicContact CD1-CD1 4.16Å; L33-L94 HydrophobicContact CD1-CD1 4.13Å; L33-L94 HydrophobicContact CD2-CD1 4.03Å
34	A	74.5	Confident	77.4	Confident	12 Å²	12	43.2 Å²	43.2	10%	0.099	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.1	-179.7	0	0	0	0	0	114.8	Q31 C32 P36 C87	Q31-A34 VanDerWaalsContact O-CB 3.31Å; Q31-A34 WeakPolarHBondContact O-CB 3.43Å; Q31-A34 PolarHBondContact O-N 3.43Å; Q31-A34 VanDerWaalsContact O-N 3.07Å; C32-A34 PolarHBondContact O-N 3.5Å; A34-P36 WeakPolarHBondContact O-CD 3.31Å; A34-C87 HydrophobicContact CB-CB 3.84Å
35	N	75.2	Confident	76.3	Confident	84 Å²	84	46.3 Å²	46.3	45%	0.449	24%	0.24	S	C	.	.			trans	-86.7	109.7	178	-172.7	-14.5	0	0	0	110.3	C32 L33 S37 Y38 L39	C32-N35 PolarHBondContact O-N 3.49Å; C32-N35 VanDerWaalsContact O-N 3.15Å; L33-N35 PolarHBondContact O-N 3.5Å; N35-S37 PolarHBondContact O-N 2.99Å; N35-S37 WeakPolarHBondContact OD1-CA 3.42Å; N35-S37 VanDerWaalsContact OD1-CB 3.24Å; N35-S37 WeakPolarHBondContact OD1-CB 3.49Å; N35-S37 PolarHBondContact OD1-N 3.22Å; N35-Y38 CarbonylContact O-C 3.56Å; N35-Y38 WeakPolarHBondContact O-CA 3.38Å; N35-Y38 VanDerWaalsContact O-CB 3.28Å; N35-Y38 WeakPolarHBondContact O-CB 3.35Å; N35-Y38 PolarHBondContact O-N 3.33Å; N35-Y38 PolarHBondContact OD1-N 3.36Å; N35-L39 PolarHBondContact O-N 2.79Å
36	P	69.7	Low	75.1	Confident	7 Å²	7	45.5 Å²	45.5	5%	0.045	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-32.5	174.4	23	-36.5	0	0	0	113.4	A34 Y38 L39 N40 I112 D113 I116	A34-P36 WeakPolarHBondContact O-CD 3.31Å; P36-Y38 VanDerWaalsContact C-N 3.29Å; P36-Y38 PolarHBondContact O-N 3.34Å; P36-L39 PolarHBondContact O-N 3.2Å; P36-N40 WeakPolarHBondContact O-CB 3.28Å; P36-N40 PolarHBondContact O-N 2.77Å; P36-I112 HydrophobicContact CB-CB 4.21Å; P36-I112 HydrophobicContact CB-CG2 3.74Å; P36-I112 HydrophobicContact CG-CG2 4.09Å; P36-D113 WeakPolarHBondContact CG-OD1 3.33Å; P36-I116 HydrophobicContact CG-CD1 3.9Å
37	S	69	Low	73.7	Confident	68 Å²	68	50.7 Å²	50.7	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-32.1	172.3	-66.7	0	0	0	0	111.7	N35 C41	N35-S37 PolarHBondContact O-N 2.99Å; N35-S37 WeakPolarHBondContact OD1-CA 3.42Å; N35-S37 VanDerWaalsContact OD1-CB 3.24Å; N35-S37 WeakPolarHBondContact OD1-CB 3.49Å; N35-S37 PolarHBondContact OD1-N 3.22Å; S37-C41 WeakPolarHBondContact O-CB 3.47Å; S37-C41 PolarHBondContact O-N 2.94Å
38	Y	70.4	Confident	72.4	Confident	77 Å²	77	53.7 Å²	53.7	30%	0.302	28%	0.275	S	S	.	.	H	α-helix	trans	-71.7	-40.6	171.7	-178.9	-97	0	0	0	111.6	C32 N35 P36 N40 C41 L42	C32-Y38 VanDerWaalsContact C-CD1 3.49Å; C32-Y38 HydrophobicContact CB-CD1 3.71Å; C32-Y38 HydrophobicContact CB-CD2 4.19Å; C32-Y38 HydrophobicContact CB-CE1 3.57Å; C32-Y38 HydrophobicContact CB-CE2 4.08Å; C32-Y38 HydrophobicContact CB-CG 4.01Å; C32-Y38 VanDerWaalsContact O-CB 3.32Å; C32-Y38 WeakPolarHBondContact O-CB 3.28Å; C32-Y38 WeakPolarHBondContact O-CD1 3.14Å; N35-Y38 CarbonylContact O-C 3.56Å; N35-Y38 WeakPolarHBondContact O-CA 3.38Å; N35-Y38 VanDerWaalsContact O-CB 3.28Å; N35-Y38 WeakPolarHBondContact O-CB 3.35Å; N35-Y38 PolarHBondContact O-N 3.33Å; N35-Y38 PolarHBondContact OD1-N 3.36Å; P36-Y38 VanDerWaalsContact C-N 3.29Å; P36-Y38 PolarHBondContact O-N 3.34Å; Y38-N40 VanDerWaalsContact C-N 3.31Å; Y38-N40 PolarHBondContact O-N 3.17Å; Y38-C41 PolarHBondContact O-N 3.26Å; Y38-L42 HydrophobicContact CD1-CD1 4.37Å; Y38-L42 HydrophobicContact CE1-CB 4.46Å; Y38-L42 HydrophobicContact CE1-CD1 3.57Å; Y38-L42 WeakPolarHBondContact O-CB 3.39Å; Y38-L42 PolarHBondContact O-N 3.47Å
39	L	68.2	Low	71	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-40.6	172.8	-73.3	-168.1	0	0	0	112.2	L33 N35 P36 F43 L90 L94 L103	L33-L39 HydrophobicContact CD2-CD2 3.73Å; N35-L39 PolarHBondContact O-N 2.79Å; P36-L39 PolarHBondContact O-N 3.2Å; L39-F43 VanDerWaalsContact O-CB 3.22Å; L39-F43 WeakPolarHBondContact O-CB 3.33Å; L39-F43 PolarHBondContact O-N 3.36Å; L39-L90 HydrophobicContact CD1-CD1 3.83Å; L39-L90 HydrophobicContact CD1-CD2 3.29Å; L39-L90 HydrophobicContact CD1-CG 3.83Å; L39-L90 HydrophobicContact CD2-CD2 4.44Å; L39-L90 HydrophobicContact CG-CD2 3.91Å; L39-L94 HydrophobicContact CD2-CD1 4.45Å; L39-L103 HydrophobicContact CD1-CD1 4.16Å; L39-L103 HydrophobicContact CD1-CD2 4.03Å
40	N	67.8	Low	69.5	Low	52 Å²	52	53.3 Å²	53.3	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-68.5	-40.6	176.1	-168	44.3	0	0	0	111.1	P36 Y38 F43 I44 C109	P36-N40 WeakPolarHBondContact O-CB 3.28Å; P36-N40 PolarHBondContact O-N 2.77Å; Y38-N40 VanDerWaalsContact C-N 3.31Å; Y38-N40 PolarHBondContact O-N 3.17Å; N40-F43 PolarHBondContact O-N 3.48Å; N40-I44 VanDerWaalsContact ND2-CD1 3.31Å; N40-I44 WeakPolarHBondContact ND2-CD1 3.32Å; N40-I44 WeakPolarHBondContact O-CB 3.35Å; N40-I44 WeakPolarHBondContact O-CD1 3.43Å; N40-I44 WeakPolarHBondContact O-CG1 3.39Å; N40-I44 PolarHBondContact O-N 3.29Å; N40-I44 WeakPolarHBondContact OD1-CD1 3.35Å; N40-C109 HydrophobicContact CB-CB 4.12Å
41	C	66.8	Low	68.1	Low	51 Å²	51	57.7 Å²	57.7	35%	0.345	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-50.2	174	-179.1	0	0	0	0	110.4	S37 Y38 F43 I44 F45	S37-C41 WeakPolarHBondContact O-CB 3.47Å; S37-C41 PolarHBondContact O-N 2.94Å; Y38-C41 PolarHBondContact O-N 3.26Å; C41-F43 VanDerWaalsContact C-N 3.32Å; C41-F43 PolarHBondContact O-N 3.45Å; C41-I44 PolarHBondContact O-N 3.31Å; C41-F45 HydrophobicContact CB-CD2 4.36Å; C41-F45 VanDerWaalsContact O-CB 3.25Å; C41-F45 WeakPolarHBondContact O-CB 3.13Å; C41-F45 VanDerWaalsContact O-CD2 3.26Å; C41-F45 WeakPolarHBondContact O-CD2 3.22Å; C41-F45 PolarHBondContact O-N 3.43Å; C41-F45 WeakPolarHBondContact SG-CD2 3.31Å; C41-F45 WeakPolarHBondContact SG-CE2 3.13Å
42	L	67.8	Low	66.7	Low	19 Å²	19	63.1 Å²	63.1	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-49.2	174.9	-166.5	154.1	0	0	0	109.3	Y38 F46 F58	Y38-L42 HydrophobicContact CD1-CD1 4.37Å; Y38-L42 HydrophobicContact CE1-CB 4.46Å; Y38-L42 HydrophobicContact CE1-CD1 3.57Å; Y38-L42 WeakPolarHBondContact O-CB 3.39Å; Y38-L42 PolarHBondContact O-N 3.47Å; L42-F46 HydrophobicContact CB-CD2 4.34Å; L42-F46 HydrophobicContact CD1-CE2 4.36Å; L42-F46 HydrophobicContact CD2-CD2 3.59Å; L42-F46 HydrophobicContact CD2-CE2 4.08Å; L42-F46 HydrophobicContact CD2-CG 4.43Å; L42-F46 HydrophobicContact CG-CD2 3.52Å; L42-F46 HydrophobicContact CG-CE2 3.67Å; L42-F46 WeakPolarHBondContact O-CA 3.24Å; L42-F46 WeakPolarHBondContact O-CB 3.48Å; L42-F46 WeakPolarHBondContact O-CD2 3.08Å; L42-F46 PolarHBondContact O-N 2.91Å; L42-F58 HydrophobicContact CD2-CE2 3.99Å; L42-F58 HydrophobicContact CD2-CZ 3.68Å
43	F	66	Low	65.4	Low	19 Å²	19	63.7 Å²	63.7	8%	0.083	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-47.7	176.5	-175.1	-95.6	0	0	0	112.1	L39 N40 C41 Y47 F58 A104	L39-F43 VanDerWaalsContact O-CB 3.22Å; L39-F43 WeakPolarHBondContact O-CB 3.33Å; L39-F43 PolarHBondContact O-N 3.36Å; N40-F43 PolarHBondContact O-N 3.48Å; C41-F43 VanDerWaalsContact C-N 3.32Å; C41-F43 PolarHBondContact O-N 3.45Å; F43-Y47 HydrophobicContact CE1-CD1 4.1Å; F43-Y47 HydrophobicContact CE1-CD2 4.06Å; F43-Y47 AromaticContact CE1-CG 3.71Å; F43-Y47 HydrophobicContact CE1-CG 3.71Å; F43-Y47 AromaticContact CE2-CD2 3.71Å; F43-Y47 HydrophobicContact CE2-CD2 3.71Å; F43-Y47 HydrophobicContact CE2-CE2 4.49Å; F43-Y47 HydrophobicContact CE2-CG 4.05Å; F43-Y47 HydrophobicContact CZ-CD1 4.03Å; F43-Y47 AromaticContact CZ-CD2 3.19Å; F43-Y47 HydrophobicContact CZ-CD2 3.19Å; F43-Y47 AromaticContact CZ-CE2 3.81Å; F43-Y47 HydrophobicContact CZ-CE2 3.81Å; F43-Y47 AromaticContact CZ-CG 3.32Å; F43-Y47 HydrophobicContact CZ-CG 3.32Å; F43-Y47 VanDerWaalsContact O-CA 3.27Å; F43-Y47 WeakPolarHBondContact O-CA 3.48Å; F43-Y47 WeakPolarHBondContact O-CB 3.37Å; F43-Y47 PolarHBondContact O-N 2.85Å; F43-F58 HydrophobicContact CD2-CD2 4.36Å; F43-F58 HydrophobicContact CD2-CE2 4.02Å; F43-A104 HydrophobicContact CD2-CB 4.15Å; F43-A104 VanDerWaalsContact CE1-CA 3.44Å; F43-A104 HydrophobicContact CE1-CB 4.1Å; F43-A104 WeakPolarHBondContact CE1-O 3.32Å; F43-A104 HydrophobicContact CE2-CB 3.25Å; F43-A104 HydrophobicContact CZ-CB 3.24Å; F43-A104 VanDerWaalsContact CZ-O 3.31Å; F43-A104 WeakPolarHBondContact CZ-O 3.44Å
44	I	67.3	Low	64.2	Low	85 Å²	85	72.7 Å²	72.7	44%	0.436	38%	0.383	S	S	.	.	H	α-helix	trans	-67.1	-47.8	-178.3	-70	165.2	0	0	0	111.5	N40 C41 S48	N40-I44 VanDerWaalsContact ND2-CD1 3.31Å; N40-I44 WeakPolarHBondContact ND2-CD1 3.32Å; N40-I44 WeakPolarHBondContact O-CB 3.35Å; N40-I44 WeakPolarHBondContact O-CD1 3.43Å; N40-I44 WeakPolarHBondContact O-CG1 3.39Å; N40-I44 PolarHBondContact O-N 3.29Å; N40-I44 WeakPolarHBondContact OD1-CD1 3.35Å; C41-I44 PolarHBondContact O-N 3.31Å; I44-S48 WeakPolarHBondContact O-CA 3.1Å; I44-S48 WeakPolarHBondContact O-CB 3.28Å; I44-S48 PolarHBondContact O-N 2.98Å
45	F	64.7	Low	63.3	Low	144 Å²	144	77.5 Å²	77.5	63%	0.632	40%	0.404	S	S	*	.	H	α-helix	trans	-66.3	-46.3	178.8	-83.9	-91.9	0	0	0	110.8	C41 L49	C41-F45 HydrophobicContact CB-CD2 4.36Å; C41-F45 VanDerWaalsContact O-CB 3.25Å; C41-F45 WeakPolarHBondContact O-CB 3.13Å; C41-F45 VanDerWaalsContact O-CD2 3.26Å; C41-F45 WeakPolarHBondContact O-CD2 3.22Å; C41-F45 PolarHBondContact O-N 3.43Å; C41-F45 WeakPolarHBondContact SG-CD2 3.31Å; C41-F45 WeakPolarHBondContact SG-CE2 3.13Å; F45-L49 VanDerWaalsContact O-CB 3.23Å; F45-L49 WeakPolarHBondContact O-CB 3.49Å; F45-L49 PolarHBondContact O-N 3.19Å; F45-L49 VanDerWaalsContact O-N 3.07Å
46	F	63.1	Low	62.6	Low	88 Å²	88	74.9 Å²	74.9	39%	0.386	40%	0.397	S	S	.	.	H	α-helix	trans	-69.7	-46.7	177.4	-77.3	-79.4	0	0	0	111.2	L42 L49 L50 W57	L42-F46 HydrophobicContact CB-CD2 4.34Å; L42-F46 HydrophobicContact CD1-CE2 4.36Å; L42-F46 HydrophobicContact CD2-CD2 3.59Å; L42-F46 HydrophobicContact CD2-CE2 4.08Å; L42-F46 HydrophobicContact CD2-CG 4.43Å; L42-F46 HydrophobicContact CG-CD2 3.52Å; L42-F46 HydrophobicContact CG-CE2 3.67Å; L42-F46 WeakPolarHBondContact O-CA 3.24Å; L42-F46 WeakPolarHBondContact O-CB 3.48Å; L42-F46 WeakPolarHBondContact O-CD2 3.08Å; L42-F46 PolarHBondContact O-N 2.91Å; F46-L49 CarbonylContact O-C 3.39Å; F46-L49 PolarHBondContact O-N 3.14Å; F46-L50 WeakPolarHBondContact O-CA 3.32Å; F46-L50 WeakPolarHBondContact O-CB 3.35Å; F46-L50 PolarHBondContact O-N 3.5Å; F46-W57 AromaticContact CD1-CD1 3.61Å; F46-W57 AromaticContact CD1-NE1 3.76Å
47	Y	59.2	Low	62	Low	119 Å²	119	80.2 Å²	80.2	47%	0.467	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-40.4	178.6	-168.6	-100.7	0	0	0	112.1	F43 L49 L50 V51	F43-Y47 HydrophobicContact CE1-CD1 4.1Å; F43-Y47 HydrophobicContact CE1-CD2 4.06Å; F43-Y47 AromaticContact CE1-CG 3.71Å; F43-Y47 HydrophobicContact CE1-CG 3.71Å; F43-Y47 AromaticContact CE2-CD2 3.71Å; F43-Y47 HydrophobicContact CE2-CD2 3.71Å; F43-Y47 HydrophobicContact CE2-CE2 4.49Å; F43-Y47 HydrophobicContact CE2-CG 4.05Å; F43-Y47 HydrophobicContact CZ-CD1 4.03Å; F43-Y47 AromaticContact CZ-CD2 3.19Å; F43-Y47 HydrophobicContact CZ-CD2 3.19Å; F43-Y47 AromaticContact CZ-CE2 3.81Å; F43-Y47 HydrophobicContact CZ-CE2 3.81Å; F43-Y47 AromaticContact CZ-CG 3.32Å; F43-Y47 HydrophobicContact CZ-CG 3.32Å; F43-Y47 VanDerWaalsContact O-CA 3.27Å; F43-Y47 WeakPolarHBondContact O-CA 3.48Å; F43-Y47 WeakPolarHBondContact O-CB 3.37Å; F43-Y47 PolarHBondContact O-N 2.85Å; Y47-L49 VanDerWaalsContact C-N 3.35Å; Y47-L50 CarbonylContact O-C 3.55Å; Y47-L50 WeakPolarHBondContact O-CA 3.25Å; Y47-L50 VanDerWaalsContact O-CB 3.31Å; Y47-L50 WeakPolarHBondContact O-CB 3.4Å; Y47-L50 PolarHBondContact O-N 3.4Å; Y47-V51 HydrophobicContact CD1-CG2 3.64Å; Y47-V51 HydrophobicContact CD2-CG2 4.46Å; Y47-V51 HydrophobicContact CE1-CG2 3.38Å; Y47-V51 HydrophobicContact CE2-CG2 4.26Å; Y47-V51 HydrophobicContact CG-CG2 4.18Å; Y47-V51 WeakPolarHBondContact O-CB 3.34Å; Y47-V51 WeakPolarHBondContact O-CG2 3.48Å; Y47-V51 PolarHBondContact O-N 3.04Å
48	S	61.5	Low	61.6	Low	77 Å²	77	78.1 Å²	78.1	54%	0.538	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-42.2	173.9	-176.2	0	0	0	0	111.1	I44 L50	I44-S48 WeakPolarHBondContact O-CA 3.1Å; I44-S48 WeakPolarHBondContact O-CB 3.28Å; I44-S48 PolarHBondContact O-N 2.98Å; S48-L50 PolarHBondContact O-N 3.46Å
49	L	57.4	Low	61.5	Low	113 Å²	113	81.7 Å²	81.7	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-70	-22.6	171.4	-159.8	74	0	0	0	112.4	F45 F46 Y47 L52 A53	F45-L49 VanDerWaalsContact O-CB 3.23Å; F45-L49 WeakPolarHBondContact O-CB 3.49Å; F45-L49 PolarHBondContact O-N 3.19Å; F45-L49 VanDerWaalsContact O-N 3.07Å; F46-L49 CarbonylContact O-C 3.39Å; F46-L49 PolarHBondContact O-N 3.14Å; Y47-L49 VanDerWaalsContact C-N 3.35Å; L49-L52 WeakPolarHBondContact O-CB 3.23Å; L49-A53 PolarHBondContact O-N 3.39Å
50	L	55	Low	61.8	Low	18 Å²	18	83.7 Å²	83.7	9%	0.094	43%	0.427	C	S	.	.	H	α-helix	trans	-86.9	-37.4	-175	-139	81.6	0	0	0	114.1	F46 Y47 S48 L52 A53 Q54 Q55 W57	F46-L50 WeakPolarHBondContact O-CA 3.32Å; F46-L50 WeakPolarHBondContact O-CB 3.35Å; F46-L50 PolarHBondContact O-N 3.5Å; Y47-L50 CarbonylContact O-C 3.55Å; Y47-L50 WeakPolarHBondContact O-CA 3.25Å; Y47-L50 VanDerWaalsContact O-CB 3.31Å; Y47-L50 WeakPolarHBondContact O-CB 3.4Å; Y47-L50 PolarHBondContact O-N 3.4Å; S48-L50 PolarHBondContact O-N 3.46Å; L50-L52 PolarHBondContact O-N 2.93Å; L50-A53 VanDerWaalsContact C-N 3.33Å; L50-A53 CarbonylContact O-C 3.29Å; L50-A53 VanDerWaalsContact O-C 3.29Å; L50-A53 WeakPolarHBondContact O-CA 3.47Å; L50-A53 PolarHBondContact O-N 2.87Å; L50-Q54 PolarHBondContact O-N 3.21Å; L50-Q55 WeakPolarHBondContact CD1-O 3.5Å; L50-Q55 VanDerWaalsContact CD2-C 3.4Å; L50-Q55 WeakPolarHBondContact CD2-O 3.35Å; L50-Q55 WeakPolarHBondContact CG-O 3.42Å; L50-W57 HydrophobicContact CD1-CB 4.42Å; L50-W57 HydrophobicContact CD1-CG 3.76Å
51	V	57.7	Low	62.5	Low	92 Å²	92	86 Å²	86	56%	0.558	44%	0.444	S	S	*	.	H	α-helix	trans	-58.7	-32.2	174	169.3	0	0	0	0	107.6	Y47	Y47-V51 HydrophobicContact CD1-CG2 3.64Å; Y47-V51 HydrophobicContact CD2-CG2 4.46Å; Y47-V51 HydrophobicContact CE1-CG2 3.38Å; Y47-V51 HydrophobicContact CE2-CG2 4.26Å; Y47-V51 HydrophobicContact CG-CG2 4.18Å; Y47-V51 WeakPolarHBondContact O-CB 3.34Å; Y47-V51 WeakPolarHBondContact O-CG2 3.48Å; Y47-V51 PolarHBondContact O-N 3.04Å
52	L	55.4	Low	63.2	Low	144 Å²	144	89.7 Å²	89.7	75%	0.754	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-27.2	169.4	-60.5	172	0	0	0	113.9	L49 L50	L49-L52 WeakPolarHBondContact O-CB 3.23Å; L50-L52 PolarHBondContact O-N 2.93Å
53	A	56.1	Low	63.8	Low	60 Å²	60	90.8 Å²	90.8	50%	0.496	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	8.5	-173.3	0	0	0	0	0	115.5	L49 L50 Q55	L49-A53 PolarHBondContact O-N 3.39Å; L50-A53 VanDerWaalsContact C-N 3.33Å; L50-A53 CarbonylContact O-C 3.29Å; L50-A53 VanDerWaalsContact O-C 3.29Å; L50-A53 WeakPolarHBondContact O-CA 3.47Å; L50-A53 PolarHBondContact O-N 2.87Å; A53-Q55 WeakPolarHBondContact O-CG 3.29Å; A53-Q55 PolarHBondContact O-N 2.71Å
54	Q	54.9	Low	64.7	Low	192 Å²	192	91.8 Å²	91.8	90%	0.897	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	9.2	177.9	-63.8	-174.7	-7.2	0	0	117.5	L50	L50-Q54 PolarHBondContact O-N 3.21Å
55	Q	55.9	Low	65.6	Low	113 Å²	113	95.3 Å²	95.3	53%	0.528	48%	0.482	S	S	.	.			trans	-126.6	103.3	-169.8	-72.3	-154.9	-15.1	0	0	114.4	L50 A53 W57 K60	L50-Q55 WeakPolarHBondContact CD1-O 3.5Å; L50-Q55 VanDerWaalsContact CD2-C 3.4Å; L50-Q55 WeakPolarHBondContact CD2-O 3.35Å; L50-Q55 WeakPolarHBondContact CG-O 3.42Å; A53-Q55 WeakPolarHBondContact O-CG 3.29Å; A53-Q55 PolarHBondContact O-N 2.71Å; Q55-W57 PolarHBondContact O-N 3.32Å; Q55-K60 VanDerWaalsContact OE1-NZ 3.08Å
56	G	60	Low	66.7	Low	29 Å²	29	92 Å²	92	30%	0.299	47%	0.466	S	S	.	.			trans	-43.6	102.6	168	0	0	0	0	0	115	F58 E59 K60	G56-F58 VanDerWaalsContact C-N 3.27Å; G56-F58 PolarHBondContact O-N 2.88Å; G56-E59 PolarHBondContact O-N 2.84Å; G56-K60 PolarHBondContact O-N 2.98Å
57	W	58.6	Low	67.8	Low	119 Å²	119	87.9 Å²	87.9	45%	0.451	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-62	-35.6	175	-76.6	116.2	0	0	0	112.3	F46 L50 Q55 E59 K60 F63	F46-W57 AromaticContact CD1-CD1 3.61Å; F46-W57 AromaticContact CD1-NE1 3.76Å; L50-W57 HydrophobicContact CD1-CB 4.42Å; L50-W57 HydrophobicContact CD1-CG 3.76Å; Q55-W57 PolarHBondContact O-N 3.32Å; W57-E59 PolarHBondContact O-N 2.76Å; W57-K60 HydrophobicContact CD2-CD 4.28Å; W57-K60 HydrophobicContact CE3-CD 3.65Å; W57-K60 HydrophobicContact CZ3-CD 4.03Å; W57-K60 WeakPolarHBondContact O-CB 3.47Å; W57-K60 PolarHBondContact O-N 3.08Å; W57-F63 WeakPolarHBondContact O-CB 3.3Å
58	F	60	Low	69.2	Low	25 Å²	25	88.4 Å²	88.4	11%	0.11	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-72	-14.7	179.2	-77.3	-75.8	0	0	0	114	L42 F43 G56 F63 L94 R100	L42-F58 HydrophobicContact CD2-CE2 3.99Å; L42-F58 HydrophobicContact CD2-CZ 3.68Å; F43-F58 HydrophobicContact CD2-CD2 4.36Å; F43-F58 HydrophobicContact CD2-CE2 4.02Å; G56-F58 VanDerWaalsContact C-N 3.27Å; G56-F58 PolarHBondContact O-N 2.88Å; F58-F63 AromaticContact CD1-CD1 3.93Å; F58-F63 HydrophobicContact CD1-CD1 3.93Å; F58-F63 AromaticContact CD1-CE1 3.41Å; F58-F63 HydrophobicContact CD1-CE1 3.41Å; F58-F63 VanDerWaalsContact CD1-CE1 3.41Å; F58-F63 HydrophobicContact CD1-CZ 4.31Å; F58-F63 HydrophobicContact CE1-CD1 4.41Å; F58-F63 AromaticContact CE1-CE1 3.48Å; F58-F63 HydrophobicContact CE1-CE1 3.48Å; F58-F63 VanDerWaalsContact CE1-CE1 3.48Å; F58-F63 AromaticContact CE1-CZ 3.97Å; F58-F63 HydrophobicContact CE1-CZ 3.97Å; F58-F63 HydrophobicContact CG-CE1 4.42Å; F58-L94 HydrophobicContact CE1-CD2 4.23Å; F58-R100 HydrophobicContact CB-CB 4.33Å; F58-R100 HydrophobicContact CD1-CG 4.21Å; F58-R100 PolarHBondContact O-NE 2.84Å; F58-R100 VanDerWaalsContact O-NE 3.13Å
59	E	67.4	Low	70.6	Confident	152 Å²	152	89 Å²	89	71%	0.71	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-95.4	-13.4	174.6	-64.4	-175.4	169.8	0	0	112.1	G56 W57	G56-E59 PolarHBondContact O-N 2.84Å; W57-E59 PolarHBondContact O-N 2.76Å
60	K	76.2	Confident	72.1	Confident	47 Å²	47	83.6 Å²	83.6	20%	0.204	42%	0.416	C	S	.	.			trans	-64.1	127.3	178.6	-70.2	-177.2	-176.2	-178.5	0	109.5	Q55 G56 W57 N62 F63 I64	Q55-K60 VanDerWaalsContact OE1-NZ 3.08Å; G56-K60 PolarHBondContact O-N 2.98Å; W57-K60 HydrophobicContact CD2-CD 4.28Å; W57-K60 HydrophobicContact CE3-CD 3.65Å; W57-K60 HydrophobicContact CZ3-CD 4.03Å; W57-K60 WeakPolarHBondContact O-CB 3.47Å; W57-K60 PolarHBondContact O-N 3.08Å; K60-N62 PolarHBondContact O-N 3Å; K60-N62 VanDerWaalsContact O-N 3.09Å; K60-F63 PolarHBondContact O-N 3.46Å; K60-I64 PolarHBondContact O-N 3.4Å
61	P	81	Confident	73.7	Confident	99 Å²	99	85.4 Å²	85.4	64%	0.643	43%	0.425	S	S	*	.	H	α-helix	trans	-59.4	-28.3	179.3	23.4	-33.5	0	0	0	112.1	K65	P61-K65 WeakPolarHBondContact O-CB 3.48Å; P61-K65 PolarHBondContact O-N 3.07Å
62	N	82.6	Confident	75.3	Confident	129 Å²	129	83 Å²	83	69%	0.69	41%	0.406	S	S	*	.	H	α-helix	trans	-63.2	-40.9	175.7	-66.5	-16.1	0	0	0	112.7	K60 K65 Y66	K60-N62 PolarHBondContact O-N 3Å; K60-N62 VanDerWaalsContact O-N 3.09Å; N62-K65 PolarHBondContact O-N 3.4Å; N62-Y66 PolarHBondContact O-N 2.94Å
63	F	81.1	Confident	76.9	Confident	42 Å²	42	76.2 Å²	76.2	18%	0.184	37%	0.371	C	S	.	.	H	α-helix	trans	-71.4	-41.9	179.9	-173.7	-105.9	0	0	0	111.1	W57 F58 K60 K65 Y66 L67	W57-F63 WeakPolarHBondContact O-CB 3.3Å; F58-F63 AromaticContact CD1-CD1 3.93Å; F58-F63 HydrophobicContact CD1-CD1 3.93Å; F58-F63 AromaticContact CD1-CE1 3.41Å; F58-F63 HydrophobicContact CD1-CE1 3.41Å; F58-F63 VanDerWaalsContact CD1-CE1 3.41Å; F58-F63 HydrophobicContact CD1-CZ 4.31Å; F58-F63 HydrophobicContact CE1-CD1 4.41Å; F58-F63 AromaticContact CE1-CE1 3.48Å; F58-F63 HydrophobicContact CE1-CE1 3.48Å; F58-F63 VanDerWaalsContact CE1-CE1 3.48Å; F58-F63 AromaticContact CE1-CZ 3.97Å; F58-F63 HydrophobicContact CE1-CZ 3.97Å; F58-F63 HydrophobicContact CG-CE1 4.42Å; K60-F63 PolarHBondContact O-N 3.46Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 2.9Å; F63-Y66 WeakPolarHBondContact O-CA 3.49Å; F63-Y66 WeakPolarHBondContact O-CB 3.34Å; F63-Y66 PolarHBondContact O-N 3.37Å; F63-Y66 VanDerWaalsContact O-N 3.07Å; F63-L67 HydrophobicContact CD1-CD1 3.92Å; F63-L67 HydrophobicContact CD1-CG 4.15Å; F63-L67 HydrophobicContact CE1-CD1 3.56Å; F63-L67 HydrophobicContact CE1-CD2 4.07Å; F63-L67 HydrophobicContact CE1-CG 3.82Å; F63-L67 HydrophobicContact CZ-CD1 4.32Å; F63-L67 HydrophobicContact CZ-CD2 3.98Å; F63-L67 HydrophobicContact CZ-CG 4.17Å; F63-L67 WeakPolarHBondContact O-CG 3.38Å; F63-L67 PolarHBondContact O-N 2.86Å
64	I	83.7	Confident	78.3	Confident	40 Å²	40	77.8 Å²	77.8	21%	0.205	37%	0.366	C	S	.	.	H	α-helix	trans	-61.3	-40.7	175	-61.1	169.3	0	0	0	110.5	K60 Y66 L67 K68	K60-I64 PolarHBondContact O-N 3.4Å; I64-Y66 VanDerWaalsContact C-N 3.31Å; I64-Y66 PolarHBondContact O-N 3.02Å; I64-L67 PolarHBondContact O-N 3.37Å; I64-K68 WeakPolarHBondContact O-CG 3.31Å; I64-K68 PolarHBondContact O-N 3.2Å
65	K	87.1	Confident	80	Confident	159 Å²	159	72.8 Å²	72.8	69%	0.691	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-38.6	174.2	-172.2	177.4	-179.7	-179.7	0	111.9	P61 N62 F63 K68 Y69	P61-K65 WeakPolarHBondContact O-CB 3.48Å; P61-K65 PolarHBondContact O-N 3.07Å; N62-K65 PolarHBondContact O-N 3.4Å; F63-K65 VanDerWaalsContact C-N 3.29Å; F63-K65 PolarHBondContact O-N 2.9Å; K65-K68 PolarHBondContact O-N 3.44Å; K65-Y69 PolarHBondContact O-N 3.39Å
66	Y	88	Confident	81.5	Confident	76 Å²	76	72.6 Å²	72.6	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-67.4	-43	175.8	-173.2	-111.4	0	0	0	112.5	F29 N62 F63 I64 K68 Y69 L70	F29-Y66 HydrophobicContact CD1-CE1 4.1Å; F29-Y66 HydrophobicContact CE1-CD1 4.43Å; F29-Y66 AromaticContact CE1-CE1 3.79Å; F29-Y66 HydrophobicContact CE1-CE1 3.79Å; F29-Y66 HydrophobicContact CZ-CE1 4.28Å; N62-Y66 PolarHBondContact O-N 2.94Å; F63-Y66 WeakPolarHBondContact O-CA 3.49Å; F63-Y66 WeakPolarHBondContact O-CB 3.34Å; F63-Y66 PolarHBondContact O-N 3.37Å; F63-Y66 VanDerWaalsContact O-N 3.07Å; I64-Y66 VanDerWaalsContact C-N 3.31Å; I64-Y66 PolarHBondContact O-N 3.02Å; Y66-K68 VanDerWaalsContact C-N 3.3Å; Y66-K68 PolarHBondContact O-N 3.47Å; Y66-Y69 HydrophobicContact CD2-CD1 4.11Å; Y66-Y69 HydrophobicContact CE2-CD1 4.01Å; Y66-Y69 HydrophobicContact CE2-CE1 4.36Å; Y66-Y69 WeakPolarHBondContact O-CA 3.15Å; Y66-Y69 WeakPolarHBondContact O-CB 3.49Å; Y66-Y69 PolarHBondContact O-N 2.97Å; Y66-Y69 VanDerWaalsContact O-N 3.08Å; Y66-L70 HydrophobicContact CD1-CD1 4.07Å; Y66-L70 HydrophobicContact CE1-CD1 3.76Å; Y66-L70 HydrophobicContact CE1-CG 4.27Å; Y66-L70 WeakPolarHBondContact O-CG 3.35Å; Y66-L70 PolarHBondContact O-N 3.46Å
67	L	85.7	Confident	83	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-40.4	172.6	-68.1	179.2	0	0	0	111.9	F63 I64 Y69 L70 L91 L94 Q95	F63-L67 HydrophobicContact CD1-CD1 3.92Å; F63-L67 HydrophobicContact CD1-CG 4.15Å; F63-L67 HydrophobicContact CE1-CD1 3.56Å; F63-L67 HydrophobicContact CE1-CD2 4.07Å; F63-L67 HydrophobicContact CE1-CG 3.82Å; F63-L67 HydrophobicContact CZ-CD1 4.32Å; F63-L67 HydrophobicContact CZ-CD2 3.98Å; F63-L67 HydrophobicContact CZ-CG 4.17Å; F63-L67 WeakPolarHBondContact O-CG 3.38Å; F63-L67 PolarHBondContact O-N 2.86Å; I64-L67 PolarHBondContact O-N 3.37Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-L70 PolarHBondContact O-N 3.07Å; L67-L91 HydrophobicContact CB-CD1 4.49Å; L67-L91 HydrophobicContact CD2-CD1 3.98Å; L67-L94 HydrophobicContact CD1-CB 4.06Å; L67-L94 HydrophobicContact CD2-CD1 4.49Å; L67-Q95 PolarHBondContact O-NE2 3.46Å
68	K	88.1	Confident	84.4	Confident	131 Å²	131	72.7 Å²	72.7	57%	0.57	36%	0.358	S	S	*	.	H	α-helix	trans	-62.9	-39.8	172.3	-76.6	-176.6	176.9	-174.2	0	112.4	I64 K65 Y66 L70 L71	I64-K68 WeakPolarHBondContact O-CG 3.31Å; I64-K68 PolarHBondContact O-N 3.2Å; K65-K68 PolarHBondContact O-N 3.44Å; Y66-K68 VanDerWaalsContact C-N 3.3Å; Y66-K68 PolarHBondContact O-N 3.47Å; K68-L70 VanDerWaalsContact C-N 3.33Å; K68-L71 WeakPolarHBondContact O-CB 3.36Å; K68-L71 PolarHBondContact O-N 2.87Å
69	Y	90.4	Very high	85.7	Confident	89 Å²	89	73.5 Å²	73.5	35%	0.349	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-45.8	174.5	163.7	-96.4	0	0	0	110.5	R22 E26 K65 Y66 L67 L71 Y72	R22-Y69 PolarHBondContact NH2-OH 3.36Å; E26-Y69 VanDerWaalsContact CD-CE1 3.45Å; E26-Y69 HydrophobicContact CG-CE1 4.5Å; E26-Y69 VanDerWaalsContact OE1-CE1 3.25Å; E26-Y69 WeakPolarHBondContact OE1-CE1 3.48Å; E26-Y69 PolarHBondContact OE1-OH 3.23Å; E26-Y69 VanDerWaalsContact OE2-CE1 3.32Å; E26-Y69 WeakPolarHBondContact OE2-CE1 3.16Å; E26-Y69 PolarHBondContact OE2-OH 3.13Å; K65-Y69 PolarHBondContact O-N 3.39Å; Y66-Y69 HydrophobicContact CD2-CD1 4.11Å; Y66-Y69 HydrophobicContact CE2-CD1 4.01Å; Y66-Y69 HydrophobicContact CE2-CE1 4.36Å; Y66-Y69 WeakPolarHBondContact O-CA 3.15Å; Y66-Y69 WeakPolarHBondContact O-CB 3.49Å; Y66-Y69 PolarHBondContact O-N 2.97Å; Y66-Y69 VanDerWaalsContact O-N 3.08Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; Y69-L71 PolarHBondContact O-N 3.24Å; Y69-Y72 HydrophobicContact CD1-CE1 4.31Å; Y69-Y72 HydrophobicContact CE1-CD1 4.24Å; Y69-Y72 AromaticContact CE1-CE1 3.62Å; Y69-Y72 HydrophobicContact CE1-CE1 3.62Å; Y69-Y72 HydrophobicContact CE2-CD1 4.16Å; Y69-Y72 HydrophobicContact CE2-CE1 4.15Å; Y69-Y72 AromaticContact CZ-CD1 3.98Å; Y69-Y72 AromaticContact CZ-CE1 3.5Å; Y69-Y72 WeakPolarHBondContact O-CD1 2.78Å; Y69-Y72 PolarHBondContact O-N 3.05Å
70	L	89.3	Confident	86.7	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-62.4	-9.8	178.8	-66.1	171.9	0	0	0	115	E26 F29 V30 Y66 L67 K68 Y72 W73 L91	E26-L70 HydrophobicContact CB-CD2 4.28Å; E26-L70 HydrophobicContact CG-CD2 4.36Å; F29-L70 HydrophobicContact CD1-CD1 3.61Å; F29-L70 HydrophobicContact CE1-CD1 3.49Å; F29-L70 VanDerWaalsContact CE1-CD1 3.49Å; V30-L70 HydrophobicContact CG2-CB 4.29Å; V30-L70 HydrophobicContact CG2-CD1 4.01Å; V30-L70 HydrophobicContact CG2-CD2 3.79Å; V30-L70 HydrophobicContact CG2-CG 4.25Å; Y66-L70 HydrophobicContact CD1-CD1 4.07Å; Y66-L70 HydrophobicContact CE1-CD1 3.76Å; Y66-L70 HydrophobicContact CE1-CG 4.27Å; Y66-L70 WeakPolarHBondContact O-CG 3.35Å; Y66-L70 PolarHBondContact O-N 3.46Å; L67-L70 PolarHBondContact O-N 3.07Å; K68-L70 VanDerWaalsContact C-N 3.33Å; L70-Y72 PolarHBondContact O-N 3.15Å; L70-Y72 VanDerWaalsContact O-N 3.14Å; L70-W73 WeakPolarHBondContact O-CB 3.41Å; L70-W73 PolarHBondContact O-N 3.49Å; L70-W73 VanDerWaalsContact O-N 3.16Å; L70-L91 HydrophobicContact CB-CD1 4.24Å; L70-L91 HydrophobicContact CB-CD2 4.02Å
71	L	89.2	Confident	87.3	Confident	55 Å²	55	77.5 Å²	77.5	29%	0.288	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-64	-15.6	175.6	-68.6	172.8	0	0	0	113.3	K68 Y69 W73 K74 L91	K68-L71 WeakPolarHBondContact O-CB 3.36Å; K68-L71 PolarHBondContact O-N 2.87Å; Y69-L71 PolarHBondContact O-N 3.24Å; L71-W73 PolarHBondContact O-N 3.36Å; L71-W73 VanDerWaalsContact O-N 3.15Å; L71-K74 HydrophobicContact CD2-CD 4.32Å; L71-K74 WeakPolarHBondContact O-CB 3.19Å; L71-K74 PolarHBondContact O-N 2.94Å; L71-L91 HydrophobicContact CD2-CD2 4.02Å; L71-L91 HydrophobicContact CD2-CG 4.13Å
72	Y	90.4	Very high	87.5	Confident	43 Å²	43	73.9 Å²	73.9	17%	0.169	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-60.5	-22.2	173.7	81.5	-103.3	0	0	0	112.4	E26 Y69 L70 K74 D75 Y78	E26-Y72 PolarHBondContact OE2-OH 2.73Å; Y69-Y72 HydrophobicContact CD1-CE1 4.31Å; Y69-Y72 HydrophobicContact CE1-CD1 4.24Å; Y69-Y72 AromaticContact CE1-CE1 3.62Å; Y69-Y72 HydrophobicContact CE1-CE1 3.62Å; Y69-Y72 HydrophobicContact CE2-CD1 4.16Å; Y69-Y72 HydrophobicContact CE2-CE1 4.15Å; Y69-Y72 AromaticContact CZ-CD1 3.98Å; Y69-Y72 AromaticContact CZ-CE1 3.5Å; Y69-Y72 WeakPolarHBondContact O-CD1 2.78Å; Y69-Y72 PolarHBondContact O-N 3.05Å; L70-Y72 PolarHBondContact O-N 3.15Å; L70-Y72 VanDerWaalsContact O-N 3.14Å; Y72-K74 PolarHBondContact O-N 3.31Å; Y72-K74 VanDerWaalsContact O-N 3.1Å; Y72-D75 PolarHBondContact O-N 3.17Å; Y72-Y78 HydrophobicContact CD2-CD1 4.24Å; Y72-Y78 AromaticContact CD2-CD2 3.6Å; Y72-Y78 HydrophobicContact CD2-CD2 3.6Å; Y72-Y78 HydrophobicContact CD2-CE1 4.42Å; Y72-Y78 AromaticContact CD2-CE2 3.84Å; Y72-Y78 HydrophobicContact CD2-CE2 3.84Å; Y72-Y78 AromaticContact CD2-CG 3.82Å; Y72-Y78 HydrophobicContact CD2-CG 3.82Å; Y72-Y78 HydrophobicContact CE2-CD1 4.03Å; Y72-Y78 HydrophobicContact CE2-CD2 4.22Å; Y72-Y78 HydrophobicContact CE2-CE1 4.31Å; Y72-Y78 AromaticContact CE2-CG 3.97Å; Y72-Y78 HydrophobicContact CE2-CG 3.97Å; Y72-Y78 WeakPolarHBondContact O-CD2 3.5Å
73	W	88.4	Confident	87.7	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-63.2	-13.9	174.8	-73.7	107.3	0	0	0	113.7	F23 E26 L27 V30 L70 L71 D75 S79 L82 L88	F23-W73 AromaticContact CD2-CH2 3.85Å; F23-W73 HydrophobicContact CD2-CH2 3.85Å; F23-W73 HydrophobicContact CD2-CZ2 4.32Å; F23-W73 HydrophobicContact CE1-CH2 4.06Å; F23-W73 AromaticContact CE2-CH2 3.27Å; F23-W73 HydrophobicContact CE2-CH2 3.27Å; F23-W73 HydrophobicContact CE2-CZ2 4.1Å; F23-W73 AromaticContact CE2-CZ3 3.79Å; F23-W73 HydrophobicContact CE2-CZ3 3.79Å; F23-W73 HydrophobicContact CG-CH2 4.46Å; F23-W73 AromaticContact CZ-CH2 3.4Å; F23-W73 HydrophobicContact CZ-CH2 3.4Å; F23-W73 VanDerWaalsContact CZ-CH2 3.4Å; F23-W73 AromaticContact CZ-CZ3 3.73Å; F23-W73 HydrophobicContact CZ-CZ3 3.73Å; E26-W73 HydrophobicContact CB-CZ2 4.05Å; L27-W73 HydrophobicContact CB-CH2 3.62Å; L27-W73 HydrophobicContact CB-CZ2 3.85Å; L27-W73 HydrophobicContact CB-CZ3 4.48Å; L27-W73 HydrophobicContact CD1-CE3 4.23Å; L27-W73 HydrophobicContact CD1-CH2 3.54Å; L27-W73 HydrophobicContact CD1-CZ2 4.27Å; L27-W73 HydrophobicContact CD1-CZ3 3.51Å; L27-W73 HydrophobicContact CG-CH2 4.13Å; V30-W73 HydrophobicContact CG2-CG 4.33Å; L70-W73 WeakPolarHBondContact O-CB 3.41Å; L70-W73 PolarHBondContact O-N 3.49Å; L70-W73 VanDerWaalsContact O-N 3.16Å; L71-W73 PolarHBondContact O-N 3.36Å; L71-W73 VanDerWaalsContact O-N 3.15Å; W73-D75 VanDerWaalsContact C-N 3.34Å; W73-S79 WeakPolarHBondContact O-CA 3.35Å; W73-S79 WeakPolarHBondContact O-CB 3.11Å; W73-L82 HydrophobicContact CB-CD1 4.42Å; W73-L82 HydrophobicContact CE3-CD2 4.22Å; W73-L82 HydrophobicContact CE3-CG 4.42Å; W73-L88 HydrophobicContact CB-CD2 3.98Å
74	K	87.1	Confident	87.8	Confident	94 Å²	94	78 Å²	78	41%	0.409	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-73.3	-24.5	172.7	-70.3	-174.4	134.2	177.2	0	113.3	L71 Y72 L88 D92	L71-K74 HydrophobicContact CD2-CD 4.32Å; L71-K74 WeakPolarHBondContact O-CB 3.19Å; L71-K74 PolarHBondContact O-N 2.94Å; Y72-K74 PolarHBondContact O-N 3.31Å; Y72-K74 VanDerWaalsContact O-N 3.1Å; K74-L88 HydrophobicContact CG-CD2 4.14Å; K74-D92 WeakPolarHBondContact CE-OD1 3.47Å; K74-D92 WeakPolarHBondContact CE-OD2 2.83Å; K74-D92 IonicContact NZ-OD1 2.67Å; K74-D92 PolarHBondContact NZ-OD1 2.95Å; K74-D92 IonicContact NZ-OD2 2.65Å; K74-D92 PolarHBondContact NZ-OD2 3.42Å
75	D	89.8	Confident	87.8	Confident	87 Å²	87	81 Å²	81	47%	0.465	39%	0.385	S	S	.	.	S	Bend	trans	-65.4	140.2	-179.2	-68.4	-34.4	0	0	0	110.3	Y72 W73 A77 Y78 S79	Y72-D75 PolarHBondContact O-N 3.17Å; W73-D75 VanDerWaalsContact C-N 3.34Å; D75-A77 PolarHBondContact O-N 2.8Å; D75-Y78 HydrophobicContact CB-CD2 4.02Å; D75-Y78 PolarHBondContact O-N 3.2Å; D75-S79 PolarHBondContact O-N 3.18Å; D75-S79 PolarHBondContact O-OG 3.17Å
76	P	88.6	Confident	87.6	Confident	108 Å²	108	76.4 Å²	76.4	70%	0.701	36%	0.364	S	S	*	.	H	α-helix	trans	-59.1	-23.6	-176.2	23	-33.8	0	0	0	113.6	Y78 S79	P76-Y78 VanDerWaalsContact C-N 3.3Å; P76-Y78 PolarHBondContact O-N 3.17Å; P76-S79 WeakPolarHBondContact CA-OG 3.37Å
77	A	89.7	Confident	87.5	Confident	57 Å²	57	72.8 Å²	72.8	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-66.1	-31.2	175.8	0	0	0	0	0	113.2	D75 R80	D75-A77 PolarHBondContact O-N 2.8Å; A77-R80 PolarHBondContact O-NE 2.89Å; A77-R80 VanDerWaalsContact O-NE 3.15Å
78	Y	88.8	Confident	87.6	Confident	93 Å²	93	74.2 Å²	74.2	37%	0.365	36%	0.358	S	S	.	.	H	α-helix	trans	-107.5	-33.2	-176.2	-57.1	-72.6	0	0	0	112.8	F23 Y72 D75 P76 R80 Y81	F23-Y78 AromaticContact CE2-CD1 3.92Å; F23-Y78 HydrophobicContact CE2-CD1 3.92Å; F23-Y78 HydrophobicContact CE2-CE1 4.38Å; Y72-Y78 HydrophobicContact CD2-CD1 4.24Å; Y72-Y78 AromaticContact CD2-CD2 3.6Å; Y72-Y78 HydrophobicContact CD2-CD2 3.6Å; Y72-Y78 HydrophobicContact CD2-CE1 4.42Å; Y72-Y78 AromaticContact CD2-CE2 3.84Å; Y72-Y78 HydrophobicContact CD2-CE2 3.84Å; Y72-Y78 AromaticContact CD2-CG 3.82Å; Y72-Y78 HydrophobicContact CD2-CG 3.82Å; Y72-Y78 HydrophobicContact CE2-CD1 4.03Å; Y72-Y78 HydrophobicContact CE2-CD2 4.22Å; Y72-Y78 HydrophobicContact CE2-CE1 4.31Å; Y72-Y78 AromaticContact CE2-CG 3.97Å; Y72-Y78 HydrophobicContact CE2-CG 3.97Å; Y72-Y78 WeakPolarHBondContact O-CD2 3.5Å; D75-Y78 HydrophobicContact CB-CD2 4.02Å; D75-Y78 PolarHBondContact O-N 3.2Å; P76-Y78 VanDerWaalsContact C-N 3.3Å; P76-Y78 PolarHBondContact O-N 3.17Å; Y78-R80 PolarHBondContact O-N 3.31Å; Y78-R80 VanDerWaalsContact O-N 3.09Å; Y78-Y81 WeakPolarHBondContact O-CD2 3.43Å; Y78-Y81 PolarHBondContact O-N 3.47Å
79	S	87.2	Confident	87.5	Confident	42 Å²	42	72.6 Å²	72.6	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-24.5	-177.3	66.7	0	0	0	0	113.4	W73 D75 P76 Y81 L82	W73-S79 WeakPolarHBondContact O-CA 3.35Å; W73-S79 WeakPolarHBondContact O-CB 3.11Å; D75-S79 PolarHBondContact O-N 3.18Å; D75-S79 PolarHBondContact O-OG 3.17Å; P76-S79 WeakPolarHBondContact CA-OG 3.37Å; S79-Y81 PolarHBondContact O-N 3.09Å; S79-Y81 VanDerWaalsContact O-N 3.13Å; S79-L82 WeakPolarHBondContact O-CB 3.35Å; S79-L82 PolarHBondContact O-N 3.39Å; S79-L82 VanDerWaalsContact O-N 3.09Å
80	R	88.2	Confident	87.2	Confident	180 Å²	180	68.3 Å²	68.3	68%	0.679	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.9	173.5	68.9	180	179.6	178.5	0.2	114.8	A77 Y78	A77-R80 PolarHBondContact O-NE 2.89Å; A77-R80 VanDerWaalsContact O-NE 3.15Å; Y78-R80 PolarHBondContact O-N 3.31Å; Y78-R80 VanDerWaalsContact O-N 3.09Å
81	Y	88.1	Confident	87.1	Confident	103 Å²	103	68.3 Å²	68.3	40%	0.404	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-9.8	179.6	-62.7	-74.6	0	0	0	113.1	F23 Y78 S79	F23-Y81 HydrophobicContact CE1-CD2 4.46Å; F23-Y81 HydrophobicContact CE1-CG 4.48Å; F23-Y81 AromaticContact CZ-CD2 3.75Å; F23-Y81 HydrophobicContact CZ-CD2 3.75Å; F23-Y81 HydrophobicContact CZ-CE2 4.03Å; F23-Y81 HydrophobicContact CZ-CG 4.15Å; Y78-Y81 WeakPolarHBondContact O-CD2 3.43Å; Y78-Y81 PolarHBondContact O-N 3.47Å; S79-Y81 PolarHBondContact O-N 3.09Å; S79-Y81 VanDerWaalsContact O-N 3.13Å
82	L	87.1	Confident	87.1	Confident	23 Å²	23	68.2 Å²	68.2	12%	0.12	34%	0.335	C	S	.	.			trans	-82.6	121.5	-177	-62.5	169.3	0	0	0	110.6	L27 V30 Q31 W73 S79 L88	L27-L82 HydrophobicContact CD1-CD2 3.82Å; V30-L82 HydrophobicContact CG1-CD2 3.97Å; Q31-L82 HydrophobicContact CG-CD2 4.28Å; W73-L82 HydrophobicContact CB-CD1 4.42Å; W73-L82 HydrophobicContact CE3-CD2 4.22Å; W73-L82 HydrophobicContact CE3-CG 4.42Å; S79-L82 WeakPolarHBondContact O-CB 3.35Å; S79-L82 PolarHBondContact O-N 3.39Å; S79-L82 VanDerWaalsContact O-N 3.09Å; L82-L88 HydrophobicContact CD1-CD1 3.83Å; L82-L88 HydrophobicContact CD1-CD2 3.72Å; L82-L88 HydrophobicContact CD1-CG 3.77Å
83	I	86.8	Confident	86.9	Confident	124 Å²	124	68.4 Å²	68.4	64%	0.636	34%	0.338	S	S	*	.	S	Bend	trans	-76.3	-35	174.3	-58.9	170.7	0	0	0	110.4	Q31 P85	Q31-I83 VanDerWaalsContact OE1-CB 3.27Å; I83-P85 WeakPolarHBondContact O-CD 3.44Å
84	Y	82.7	Confident	86.7	Confident	135 Å²	135	68.4 Å²	68.4	53%	0.529	34%	0.339	S	S	.	.			trans	-111.3	92.1	-175.2	-60.5	-73.3	0	0	0	111.2	Q31 Y86 C87	Q31-Y84 HydrophobicContact CB-CD2 4.37Å; Q31-Y84 HydrophobicContact CG-CD2 4.46Å; Y84-Y86 PolarHBondContact O-N 3.42Å; Y84-C87 PolarHBondContact O-N 2.84Å; Y84-C87 PolarHBondContact O-SG 3.36Å
85	P	82.9	Confident	86.6	Confident	101 Å²	101	66 Å²	66	66%	0.656	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22	-177.8	24.8	-34.8	0	0	0	113.3	I83 C87 L88	I83-P85 WeakPolarHBondContact O-CD 3.44Å; P85-C87 PolarHBondContact O-N 3.25Å; P85-L88 PolarHBondContact O-N 3.15Å
86	Y	83.6	Confident	86.5	Confident	63 Å²	63	67.4 Å²	67.4	25%	0.247	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-25.8	175.6	-169.6	-108.5	0	0	0	113.2	Y84 L88 H89 L90 I112 I116	Y84-Y86 PolarHBondContact O-N 3.42Å; Y86-L88 PolarHBondContact O-N 2.97Å; Y86-H89 HydrophobicContact CD2-CB 4.46Å; Y86-H89 AromaticContact CE2-CD2 3.79Å; Y86-H89 PolarHBondContact O-N 3.22Å; Y86-L90 PolarHBondContact O-N 3.45Å; Y86-L90 VanDerWaalsContact O-N 3.1Å; Y86-I112 HydrophobicContact CE1-CG2 4.08Å; Y86-I112 WeakPolarHBondContact OH-CG2 3.44Å; Y86-I116 HydrophobicContact CD1-CD1 4.02Å; Y86-I116 HydrophobicContact CD1-CG1 4.45Å; Y86-I116 HydrophobicContact CE1-CD1 3.59Å; Y86-I116 HydrophobicContact CE1-CG1 3.99Å
87	C	85.7	Confident	86.3	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-55.8	-37.8	176.4	64.8	0	0	0	0	112.6	V30 A34 Y84 P85 L90 L91	V30-C87 HydrophobicContact CG1-CB 3.9Å; V30-C87 VanDerWaalsContact CG1-SG 3.57Å; V30-C87 WeakPolarHBondContact O-CB 3.27Å; A34-C87 HydrophobicContact CB-CB 3.84Å; Y84-C87 PolarHBondContact O-N 2.84Å; Y84-C87 PolarHBondContact O-SG 3.36Å; P85-C87 PolarHBondContact O-N 3.25Å; C87-L90 PolarHBondContact O-N 2.83Å; C87-L91 WeakPolarHBondContact O-CB 3.34Å; C87-L91 PolarHBondContact O-N 3.16Å
88	L	86.9	Confident	86	Confident	31 Å²	31	70 Å²	70	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-69.2	-38.9	-177.6	-65.1	-179.1	0	0	0	111.3	W73 K74 L82 P85 Y86 L90 L91 D92	W73-L88 HydrophobicContact CB-CD2 3.98Å; K74-L88 HydrophobicContact CG-CD2 4.14Å; L82-L88 HydrophobicContact CD1-CD1 3.83Å; L82-L88 HydrophobicContact CD1-CD2 3.72Å; L82-L88 HydrophobicContact CD1-CG 3.77Å; P85-L88 PolarHBondContact O-N 3.15Å; Y86-L88 PolarHBondContact O-N 2.97Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L91 PolarHBondContact O-N 3.13Å; L88-D92 PolarHBondContact O-N 3.09Å; L88-D92 VanDerWaalsContact O-N 3.08Å
89	H	86.5	Confident	85.8	Confident	96 Å²	96	66.7 Å²	66.7	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174.9	-177.3	62.3	0	0	0	110.9	Y86 D92 L93	Y86-H89 HydrophobicContact CD2-CB 4.46Å; Y86-H89 AromaticContact CE2-CD2 3.79Å; Y86-H89 PolarHBondContact O-N 3.22Å; H89-D92 WeakPolarHBondContact O-CB 3.33Å; H89-D92 PolarHBondContact O-N 3.46Å; H89-L93 WeakPolarHBondContact O-CG 3.33Å; H89-L93 PolarHBondContact O-N 3.05Å; H89-L93 VanDerWaalsContact O-N 3.07Å
90	L	84.4	Confident	85.4	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.4	-33.9	178.4	-167.2	65.4	0	0	0	112.9	L33 L39 Y86 C87 L88 D92 L93 L94 F99 I112	L33-L90 HydrophobicContact CB-CD2 4.45Å; L33-L90 WeakPolarHBondContact O-CD2 3.43Å; L39-L90 HydrophobicContact CD1-CD1 3.83Å; L39-L90 HydrophobicContact CD1-CD2 3.29Å; L39-L90 HydrophobicContact CD1-CG 3.83Å; L39-L90 HydrophobicContact CD2-CD2 4.44Å; L39-L90 HydrophobicContact CG-CD2 3.91Å; Y86-L90 PolarHBondContact O-N 3.45Å; Y86-L90 VanDerWaalsContact O-N 3.1Å; C87-L90 PolarHBondContact O-N 2.83Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L90-D92 VanDerWaalsContact C-N 3.3Å; L90-D92 PolarHBondContact O-N 3.32Å; L90-L93 HydrophobicContact CD1-CD1 4.17Å; L90-L93 PolarHBondContact O-N 3.3Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 3.09Å; L90-F99 HydrophobicContact CD1-CE1 3.89Å; L90-F99 HydrophobicContact CD1-CZ 3.54Å; L90-I112 HydrophobicContact CD1-CD1 3.93Å
91	L	87.3	Confident	85	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-40.2	173	-177.3	63.1	0	0	0	111.2	L33 L67 L70 L71 C87 L88 L94	L33-L91 HydrophobicContact CD1-CD1 4.16Å; L67-L91 HydrophobicContact CB-CD1 4.49Å; L67-L91 HydrophobicContact CD2-CD1 3.98Å; L70-L91 HydrophobicContact CB-CD1 4.24Å; L70-L91 HydrophobicContact CB-CD2 4.02Å; L71-L91 HydrophobicContact CD2-CD2 4.02Å; L71-L91 HydrophobicContact CD2-CG 4.13Å; C87-L91 WeakPolarHBondContact O-CB 3.34Å; C87-L91 PolarHBondContact O-N 3.16Å; L88-L91 PolarHBondContact O-N 3.13Å; L91-L94 PolarHBondContact O-N 3.03Å
92	D	88.4	Confident	84.5	Confident	53 Å²	53	56 Å²	56	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-45.8	172.4	-72.2	-31.2	0	0	0	111.4	K74 L88 H89 L90 L94 Q95 H96	K74-D92 WeakPolarHBondContact CE-OD1 3.47Å; K74-D92 WeakPolarHBondContact CE-OD2 2.83Å; K74-D92 IonicContact NZ-OD1 2.67Å; K74-D92 PolarHBondContact NZ-OD1 2.95Å; K74-D92 IonicContact NZ-OD2 2.65Å; K74-D92 PolarHBondContact NZ-OD2 3.42Å; L88-D92 PolarHBondContact O-N 3.09Å; L88-D92 VanDerWaalsContact O-N 3.08Å; H89-D92 WeakPolarHBondContact O-CB 3.33Å; H89-D92 PolarHBondContact O-N 3.46Å; L90-D92 VanDerWaalsContact C-N 3.3Å; L90-D92 PolarHBondContact O-N 3.32Å; D92-L94 VanDerWaalsContact C-N 3.31Å; D92-L94 PolarHBondContact O-N 3.05Å; D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 3.23Å; D92-Q95 VanDerWaalsContact O-N 3.08Å; D92-H96 PolarHBondContact O-CD2 2.94Å
93	L	86.4	Confident	84	Confident	46 Å²	46	55.1 Å²	55.1	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-41.1	177.4	-68.6	174	0	0	0	112	H89 L90 Q95 H96 F99	H89-L93 WeakPolarHBondContact O-CG 3.33Å; H89-L93 PolarHBondContact O-N 3.05Å; H89-L93 VanDerWaalsContact O-N 3.07Å; L90-L93 HydrophobicContact CD1-CD1 4.17Å; L90-L93 PolarHBondContact O-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.31Å; L93-Q95 VanDerWaalsContact O-N 3.15Å; L93-H96 WeakPolarHBondContact O-CB 3.34Å; L93-H96 PolarHBondContact O-N 2.83Å; L93-F99 VanDerWaalsContact C-CD1 3.44Å; L93-F99 HydrophobicContact CB-CD1 3.8Å; L93-F99 HydrophobicContact CB-CD2 4.02Å; L93-F99 HydrophobicContact CB-CE1 3.7Å; L93-F99 HydrophobicContact CB-CE2 3.95Å; L93-F99 HydrophobicContact CB-CG 3.94Å; L93-F99 HydrophobicContact CB-CZ 3.8Å; L93-F99 HydrophobicContact CD1-CE2 3.96Å; L93-F99 HydrophobicContact CD1-CZ 4.07Å; L93-F99 HydrophobicContact CG-CE2 4.43Å; L93-F99 WeakPolarHBondContact O-CB 3.15Å; L93-F99 WeakPolarHBondContact O-CD1 3.44Å; L93-F99 WeakPolarHBondContact O-CG 3.27Å
94	L	84.6	Confident	83.3	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-20	177.4	-76.5	168.3	0	0	0	114	L33 L39 F58 L67 L90 L91 D92 H96 F99 R100 L103	L33-L94 HydrophobicContact CD1-CD1 4.13Å; L33-L94 HydrophobicContact CD2-CD1 4.03Å; L39-L94 HydrophobicContact CD2-CD1 4.45Å; F58-L94 HydrophobicContact CE1-CD2 4.23Å; L67-L94 HydrophobicContact CD1-CB 4.06Å; L67-L94 HydrophobicContact CD2-CD1 4.49Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 3.09Å; L91-L94 PolarHBondContact O-N 3.03Å; D92-L94 VanDerWaalsContact C-N 3.31Å; D92-L94 PolarHBondContact O-N 3.05Å; L94-H96 VanDerWaalsContact C-N 3.27Å; L94-H96 PolarHBondContact O-N 3.02Å; L94-F99 HydrophobicContact CD2-CD1 4.15Å; L94-F99 HydrophobicContact CD2-CE1 4.02Å; L94-F99 HydrophobicContact CG-CD1 4.39Å; L94-F99 HydrophobicContact CG-CE1 4.13Å; L94-R100 WeakPolarHBondContact O-CD 3.39Å; L94-R100 WeakPolarHBondContact O-CG 3.37Å; L94-R100 PolarHBondContact O-NH1 3.21Å; L94-L103 HydrophobicContact CD2-CD1 3.51Å
95	Q	85.7	Confident	82.7	Confident	44 Å²	44	52 Å²	52	21%	0.206	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-26.8	174.2	-60.4	-66.3	15.7	0	0	112.4	L67 D92 L93 R100	L67-Q95 PolarHBondContact O-NE2 3.46Å; D92-Q95 WeakPolarHBondContact O-CB 3.22Å; D92-Q95 PolarHBondContact O-N 3.23Å; D92-Q95 VanDerWaalsContact O-N 3.08Å; L93-Q95 PolarHBondContact O-N 3.31Å; L93-Q95 VanDerWaalsContact O-N 3.15Å; Q95-R100 VanDerWaalsContact C-NH1 3.27Å; Q95-R100 PolarHBondContact O-NH1 3.02Å
96	H	87.2	Confident	82.1	Confident	116 Å²	116	48.4 Å²	48.4	54%	0.537	25%	0.25	S	S	.	.	S	Bend	trans	-77.2	125.4	178.1	-62.1	-79.6	0	0	0	111	D92 L93 L94 E98 F99 R100	D92-H96 PolarHBondContact O-CD2 2.94Å; L93-H96 WeakPolarHBondContact O-CB 3.34Å; L93-H96 PolarHBondContact O-N 2.83Å; L94-H96 VanDerWaalsContact C-N 3.27Å; L94-H96 PolarHBondContact O-N 3.02Å; H96-E98 VanDerWaalsContact C-N 3.27Å; H96-E98 PolarHBondContact O-N 3.44Å; H96-F99 HydrophobicContact CB-CB 4.09Å; H96-F99 PolarHBondContact O-N 3.48Å; H96-R100 PolarHBondContact O-N 3.15Å; H96-R100 VanDerWaalsContact O-N 3.17Å
97	A	83.7	Confident	81.7	Confident	56 Å²	56	51.1 Å²	51.1	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-39.7	178	0	0	0	0	0	111.9	F99 R100 S101	A97-F99 VanDerWaalsContact C-N 3.3Å; A97-F99 PolarHBondContact O-N 3.22Å; A97-R100 PolarHBondContact O-N 2.86Å; A97-S101 PolarHBondContact O-N 3.1Å; A97-S101 PolarHBondContact O-OG 2.87Å
98	E	84	Confident	81.2	Confident	164 Å²	164	52.5 Å²	52.5	77%	0.766	27%	0.272	S	S	*	.	H	α-helix	trans	-58.2	-42.7	176.8	-63.7	179.9	-174.6	0	0	112.2	H96 S101 A102	H96-E98 VanDerWaalsContact C-N 3.27Å; H96-E98 PolarHBondContact O-N 3.44Å; E98-S101 PolarHBondContact O-N 3.38Å; E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.37Å
99	F	83.8	Confident	80.5	Confident	22 Å²	22	51.2 Å²	51.2	10%	0.096	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-41.2	177.9	-174.2	-100.7	0	0	0	111.3	L90 L93 L94 H96 A97 S101 A102 L103 I108 I112	L90-F99 HydrophobicContact CD1-CE1 3.89Å; L90-F99 HydrophobicContact CD1-CZ 3.54Å; L93-F99 VanDerWaalsContact C-CD1 3.44Å; L93-F99 HydrophobicContact CB-CD1 3.8Å; L93-F99 HydrophobicContact CB-CD2 4.02Å; L93-F99 HydrophobicContact CB-CE1 3.7Å; L93-F99 HydrophobicContact CB-CE2 3.95Å; L93-F99 HydrophobicContact CB-CG 3.94Å; L93-F99 HydrophobicContact CB-CZ 3.8Å; L93-F99 HydrophobicContact CD1-CE2 3.96Å; L93-F99 HydrophobicContact CD1-CZ 4.07Å; L93-F99 HydrophobicContact CG-CE2 4.43Å; L93-F99 WeakPolarHBondContact O-CB 3.15Å; L93-F99 WeakPolarHBondContact O-CD1 3.44Å; L93-F99 WeakPolarHBondContact O-CG 3.27Å; L94-F99 HydrophobicContact CD2-CD1 4.15Å; L94-F99 HydrophobicContact CD2-CE1 4.02Å; L94-F99 HydrophobicContact CG-CD1 4.39Å; L94-F99 HydrophobicContact CG-CE1 4.13Å; H96-F99 HydrophobicContact CB-CB 4.09Å; H96-F99 PolarHBondContact O-N 3.48Å; A97-F99 VanDerWaalsContact C-N 3.3Å; A97-F99 PolarHBondContact O-N 3.22Å; F99-S101 PolarHBondContact O-N 3.2Å; F99-A102 PolarHBondContact O-N 2.89Å; F99-L103 HydrophobicContact CD1-CD1 3.76Å; F99-L103 HydrophobicContact CD1-CG 4.1Å; F99-L103 HydrophobicContact CE1-CD1 3.44Å; F99-L103 VanDerWaalsContact CE1-CD1 3.44Å; F99-L103 HydrophobicContact CE1-CD2 4.22Å; F99-L103 HydrophobicContact CE1-CG 3.8Å; F99-L103 HydrophobicContact CZ-CD1 4.2Å; F99-L103 HydrophobicContact CZ-CD2 4.14Å; F99-L103 HydrophobicContact CZ-CG 4.11Å; F99-L103 WeakPolarHBondContact O-CB 3.43Å; F99-L103 WeakPolarHBondContact O-CG 3.27Å; F99-L103 PolarHBondContact O-N 3.08Å; F99-I108 HydrophobicContact CD2-CD1 3.73Å; F99-I108 HydrophobicContact CD2-CG2 4.32Å; F99-I108 HydrophobicContact CE2-CD1 3.97Å; F99-I108 HydrophobicContact CE2-CG2 3.56Å; F99-I108 HydrophobicContact CZ-CG2 4Å; F99-I112 HydrophobicContact CE2-CD1 4.06Å; F99-I112 HydrophobicContact CZ-CD1 3.72Å
100	R	80.1	Confident	80.1	Confident	29 Å²	29	55.8 Å²	55.8	11%	0.109	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-44.2	174.3	-63.4	-166.9	-61.5	-85.3	0.5	111.9	F58 L94 Q95 H96 A97 A102 A104	F58-R100 HydrophobicContact CB-CB 4.33Å; F58-R100 HydrophobicContact CD1-CG 4.21Å; F58-R100 PolarHBondContact O-NE 2.84Å; F58-R100 VanDerWaalsContact O-NE 3.13Å; L94-R100 WeakPolarHBondContact O-CD 3.39Å; L94-R100 WeakPolarHBondContact O-CG 3.37Å; L94-R100 PolarHBondContact O-NH1 3.21Å; Q95-R100 VanDerWaalsContact C-NH1 3.27Å; Q95-R100 PolarHBondContact O-NH1 3.02Å; H96-R100 PolarHBondContact O-N 3.15Å; H96-R100 VanDerWaalsContact O-N 3.17Å; A97-R100 PolarHBondContact O-N 2.86Å; R100-A102 VanDerWaalsContact C-N 3.28Å; R100-A102 PolarHBondContact O-N 3.47Å; R100-A104 PolarHBondContact O-N 3.36Å
101	S	77.9	Confident	80	Confident	66 Å²	66	61 Å²	61	46%	0.462	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-28.2	176.5	-58.6	0	0	0	0	112.9	A97 E98 F99 A104	A97-S101 PolarHBondContact O-N 3.1Å; A97-S101 PolarHBondContact O-OG 2.87Å; E98-S101 PolarHBondContact O-N 3.38Å; F99-S101 PolarHBondContact O-N 3.2Å; S101-A104 WeakPolarHBondContact O-CB 3.19Å; S101-A104 PolarHBondContact O-N 3.25Å
102	A	79.3	Confident	79.8	Confident	7 Å²	7	61.3 Å²	61.3	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-87.5	-30.1	-179.7	0	0	0	0	0	113.1	E98 F99 R100 A104 R105 I108	E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.37Å; F99-A102 PolarHBondContact O-N 2.89Å; R100-A102 VanDerWaalsContact C-N 3.28Å; R100-A102 PolarHBondContact O-N 3.47Å; A102-A104 PolarHBondContact O-N 2.83Å; A102-R105 VanDerWaalsContact CB-NH2 3.31Å; A102-R105 PolarHBondContact O-N 3.39Å; A102-R105 VanDerWaalsContact O-N 3.14Å; A102-I108 HydrophobicContact CB-CD1 3.12Å; A102-I108 HydrophobicContact CB-CG1 3.71Å
103	L	76	Confident	79.5	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-38	161.2	-78.4	174.8	0	0	0	110.5	L39 L94 F99 R105 G106 I108	L39-L103 HydrophobicContact CD1-CD1 4.16Å; L39-L103 HydrophobicContact CD1-CD2 4.03Å; L94-L103 HydrophobicContact CD2-CD1 3.51Å; F99-L103 HydrophobicContact CD1-CD1 3.76Å; F99-L103 HydrophobicContact CD1-CG 4.1Å; F99-L103 HydrophobicContact CE1-CD1 3.44Å; F99-L103 VanDerWaalsContact CE1-CD1 3.44Å; F99-L103 HydrophobicContact CE1-CD2 4.22Å; F99-L103 HydrophobicContact CE1-CG 3.8Å; F99-L103 HydrophobicContact CZ-CD1 4.2Å; F99-L103 HydrophobicContact CZ-CD2 4.14Å; F99-L103 HydrophobicContact CZ-CG 4.11Å; F99-L103 WeakPolarHBondContact O-CB 3.43Å; F99-L103 WeakPolarHBondContact O-CG 3.27Å; F99-L103 PolarHBondContact O-N 3.08Å; L103-R105 PolarHBondContact O-N 3.36Å; L103-G106 PolarHBondContact O-N 2.89Å; L103-I108 HydrophobicContact CD2-CB 4.34Å; L103-I108 HydrophobicContact CD2-CG2 3.86Å; L103-I108 HydrophobicContact CG-CG2 4.47Å
104	A	71.3	Confident	79.4	Confident	36 Å²	36	64 Å²	64	30%	0.298	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.9	178.4	0	0	0	0	0	114.7	F43 R100 S101 A102 G106	F43-A104 HydrophobicContact CD2-CB 4.15Å; F43-A104 VanDerWaalsContact CE1-CA 3.44Å; F43-A104 HydrophobicContact CE1-CB 4.1Å; F43-A104 WeakPolarHBondContact CE1-O 3.32Å; F43-A104 HydrophobicContact CE2-CB 3.25Å; F43-A104 HydrophobicContact CZ-CB 3.24Å; F43-A104 VanDerWaalsContact CZ-O 3.31Å; F43-A104 WeakPolarHBondContact CZ-O 3.44Å; R100-A104 PolarHBondContact O-N 3.36Å; S101-A104 WeakPolarHBondContact O-CB 3.19Å; S101-A104 PolarHBondContact O-N 3.25Å; A102-A104 PolarHBondContact O-N 2.83Å; A104-G106 VanDerWaalsContact C-N 3.35Å
105	R	70.2	Confident	79.4	Confident	159 Å²	159	69.1 Å²	69.1	60%	0.6	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.8	175.6	-67.6	-178.1	-77.4	136.3	-12.7	113.1	A102 L103 Q107	A102-R105 VanDerWaalsContact CB-NH2 3.31Å; A102-R105 PolarHBondContact O-N 3.39Å; A102-R105 VanDerWaalsContact O-N 3.14Å; L103-R105 PolarHBondContact O-N 3.36Å; R105-Q107 PolarHBondContact O-N 3.34Å
106	G	71.3	Confident	79.2	Confident	25 Å²	25	68.8 Å²	68.8	26%	0.258	34%	0.344	S	S	.	.	S	Bend	trans	68.1	-12.4	-178.6	0	0	0	0	0	115.8	L103 A104 I108 C109	L103-G106 PolarHBondContact O-N 2.89Å; A104-G106 VanDerWaalsContact C-N 3.35Å; G106-I108 VanDerWaalsContact C-N 3.34Å; G106-I108 PolarHBondContact O-N 2.81Å; G106-C109 PolarHBondContact O-N 3.48Å
107	Q	74	Confident	79.1	Confident	119 Å²	119	67.7 Å²	67.7	56%	0.556	34%	0.342	S	S	*	.	H	α-helix	trans	-64.5	-38.5	-179.9	-68.6	177.4	-26.3	0	0	112.1	R105 C109 M111	R105-Q107 PolarHBondContact O-N 3.34Å; Q107-C109 VanDerWaalsContact C-N 3.33Å; Q107-C109 PolarHBondContact O-N 2.88Å; Q107-M111 PolarHBondContact O-N 2.94Å
108	I	75.6	Confident	79.2	Confident	30 Å²	30	69.1 Å²	69.1	15%	0.154	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-35.2	-179.5	-71.7	-162	0	0	0	112.1	F99 A102 L103 G106 R110 M111 I112	F99-I108 HydrophobicContact CD2-CD1 3.73Å; F99-I108 HydrophobicContact CD2-CG2 4.32Å; F99-I108 HydrophobicContact CE2-CD1 3.97Å; F99-I108 HydrophobicContact CE2-CG2 3.56Å; F99-I108 HydrophobicContact CZ-CG2 4Å; A102-I108 HydrophobicContact CB-CD1 3.12Å; A102-I108 HydrophobicContact CB-CG1 3.71Å; L103-I108 HydrophobicContact CD2-CB 4.34Å; L103-I108 HydrophobicContact CD2-CG2 3.86Å; L103-I108 HydrophobicContact CG-CG2 4.47Å; G106-I108 VanDerWaalsContact C-N 3.34Å; G106-I108 PolarHBondContact O-N 2.81Å; I108-R110 VanDerWaalsContact C-N 3.31Å; I108-R110 PolarHBondContact O-N 2.88Å; I108-M111 WeakPolarHBondContact O-CB 3.36Å; I108-M111 PolarHBondContact O-N 3.47Å; I108-M111 VanDerWaalsContact O-N 3.09Å; I108-I112 HydrophobicContact CG2-CD1 3.42Å; I108-I112 VanDerWaalsContact CG2-CD1 3.42Å; I108-I112 HydrophobicContact CG2-CG1 3.86Å; I108-I112 WeakPolarHBondContact O-CG1 3.34Å; I108-I112 PolarHBondContact O-N 3.21Å
109	C	73.4	Confident	79.2	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.027	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-46.9	-177.2	-58.2	0	0	0	0	110.8	N40 G106 Q107 M111 I112 D113	N40-C109 HydrophobicContact CB-CB 4.12Å; G106-C109 PolarHBondContact O-N 3.48Å; Q107-C109 VanDerWaalsContact C-N 3.33Å; Q107-C109 PolarHBondContact O-N 2.88Å; C109-M111 PolarHBondContact O-N 3.03Å; C109-I112 PolarHBondContact O-N 3.44Å; C109-D113 PolarHBondContact O-N 3.42Å
110	R	77.1	Confident	79.1	Confident	192 Å²	192	72.8 Å²	72.8	73%	0.725	35%	0.352	S	S	*	.	H	α-helix	trans	-62	-42.8	175.3	-65.9	-173.1	-178.1	-178.7	0.5	112.1	I108 I112 D113 D114	I108-R110 VanDerWaalsContact C-N 3.31Å; I108-R110 PolarHBondContact O-N 2.88Å; R110-I112 VanDerWaalsContact C-N 3.31Å; R110-I112 PolarHBondContact O-N 2.79Å; R110-D113 PolarHBondContact O-N 2.92Å; R110-D114 WeakPolarHBondContact O-CB 3.16Å; R110-D114 PolarHBondContact O-N 3.15Å
111	M	82.2	Confident	79.3	Confident	110 Å²	110	76.2 Å²	76.2	54%	0.542	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-38.3	177.6	-66.6	-179.2	67	0	0	112.3	Q107 I108 C109 Q115	Q107-M111 PolarHBondContact O-N 2.94Å; I108-M111 WeakPolarHBondContact O-CB 3.36Å; I108-M111 PolarHBondContact O-N 3.47Å; I108-M111 VanDerWaalsContact O-N 3.09Å; C109-M111 PolarHBondContact O-N 3.03Å; M111-Q115 WeakPolarHBondContact O-CB 3.24Å; M111-Q115 WeakPolarHBondContact O-CG 3.39Å; M111-Q115 PolarHBondContact O-N 3.1Å
112	I	83.2	Confident	79.6	Confident	6 Å²	6	77.7 Å²	77.7	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-68.8	-45.1	176.3	-68.7	172.5	0	0	0	110.3	P36 Y86 L90 F99 I108 C109 R110 D114 Q115 I116	P36-I112 HydrophobicContact CB-CB 4.21Å; P36-I112 HydrophobicContact CB-CG2 3.74Å; P36-I112 HydrophobicContact CG-CG2 4.09Å; Y86-I112 HydrophobicContact CE1-CG2 4.08Å; Y86-I112 WeakPolarHBondContact OH-CG2 3.44Å; L90-I112 HydrophobicContact CD1-CD1 3.93Å; F99-I112 HydrophobicContact CE2-CD1 4.06Å; F99-I112 HydrophobicContact CZ-CD1 3.72Å; I108-I112 HydrophobicContact CG2-CD1 3.42Å; I108-I112 VanDerWaalsContact CG2-CD1 3.42Å; I108-I112 HydrophobicContact CG2-CG1 3.86Å; I108-I112 WeakPolarHBondContact O-CG1 3.34Å; I108-I112 PolarHBondContact O-N 3.21Å; C109-I112 PolarHBondContact O-N 3.44Å; R110-I112 VanDerWaalsContact C-N 3.31Å; R110-I112 PolarHBondContact O-N 2.79Å; I112-D114 VanDerWaalsContact C-N 3.31Å; I112-D114 PolarHBondContact O-N 3.04Å; I112-Q115 PolarHBondContact O-N 3.14Å; I112-I116 HydrophobicContact CG2-CD1 3.66Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I112-I116 WeakPolarHBondContact O-CB 3.43Å; I112-I116 VanDerWaalsContact O-CG1 3.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.42Å; I112-I116 PolarHBondContact O-N 2.65Å
113	D	81.7	Confident	79.8	Confident	62 Å²	62	81.5 Å²	81.5	33%	0.332	38%	0.382	S	S	.	.	H	α-helix	trans	-55.3	-48.6	174.2	-77.8	-43.9	0	0	0	111	P36 C109 R110 Q115 I116 L117	P36-D113 WeakPolarHBondContact CG-OD1 3.33Å; C109-D113 PolarHBondContact O-N 3.42Å; R110-D113 PolarHBondContact O-N 2.92Å; D113-Q115 PolarHBondContact O-N 3.05Å; D113-I116 PolarHBondContact O-N 2.67Å; D113-L117 VanDerWaalsContact O-CB 3.27Å; D113-L117 WeakPolarHBondContact O-CB 3.38Å; D113-L117 PolarHBondContact O-N 3.08Å
114	D	84.6	Confident	80	Confident	93 Å²	93	86 Å²	86	50%	0.497	40%	0.404	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.4	-69.7	-23	0	0	0	111.2	R110 I112 L117 L118	R110-D114 WeakPolarHBondContact O-CB 3.16Å; R110-D114 PolarHBondContact O-N 3.15Å; I112-D114 VanDerWaalsContact C-N 3.31Å; I112-D114 PolarHBondContact O-N 3.04Å; D114-L117 PolarHBondContact O-N 3.31Å; D114-L118 VanDerWaalsContact O-CB 3.24Å; D114-L118 WeakPolarHBondContact O-CB 3.46Å; D114-L118 WeakPolarHBondContact O-CG 3.34Å; D114-L118 PolarHBondContact O-N 3.43Å
115	Q	85.2	Confident	80.6	Confident	109 Å²	109	92.7 Å²	92.7	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-42.1	176.9	-79.6	177.6	4.7	0	0	112.5	M111 I112 D113 H119	M111-Q115 WeakPolarHBondContact O-CB 3.24Å; M111-Q115 WeakPolarHBondContact O-CG 3.39Å; M111-Q115 PolarHBondContact O-N 3.1Å; I112-Q115 PolarHBondContact O-N 3.14Å; D113-Q115 PolarHBondContact O-N 3.05Å; Q115-H119 WeakPolarHBondContact O-CB 3.03Å; Q115-H119 PolarHBondContact O-N 3.5Å
116	I	81.9	Confident	81.2	Confident	37 Å²	37	91.9 Å²	91.9	19%	0.19	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-46.1	175.8	-70	170.7	0	0	0	109.2	P36 Y86 I112 D113 H119 W120	P36-I116 HydrophobicContact CG-CD1 3.9Å; Y86-I116 HydrophobicContact CD1-CD1 4.02Å; Y86-I116 HydrophobicContact CD1-CG1 4.45Å; Y86-I116 HydrophobicContact CE1-CD1 3.59Å; Y86-I116 HydrophobicContact CE1-CG1 3.99Å; I112-I116 HydrophobicContact CG2-CD1 3.66Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I112-I116 WeakPolarHBondContact O-CB 3.43Å; I112-I116 VanDerWaalsContact O-CG1 3.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.42Å; I112-I116 PolarHBondContact O-N 2.65Å; D113-I116 PolarHBondContact O-N 2.67Å; I116-H119 WeakPolarHBondContact O-CB 3.46Å; I116-H119 PolarHBondContact O-N 3.18Å; I116-W120 PolarHBondContact O-N 3.2Å
117	L	84.4	Confident	81.9	Confident	93 Å²	93	96 Å²	96	49%	0.487	43%	0.43	S	S	.	.	H	α-helix	trans	-60.5	-49.2	177.5	179.4	63.7	0	0	0	111.7	D113 D114 H119 W120 Q121	D113-L117 VanDerWaalsContact O-CB 3.27Å; D113-L117 WeakPolarHBondContact O-CB 3.38Å; D113-L117 PolarHBondContact O-N 3.08Å; D114-L117 PolarHBondContact O-N 3.31Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 3.42Å; L117-W120 PolarHBondContact O-N 3.3Å; L117-Q121 WeakPolarHBondContact O-CG 3.21Å; L117-Q121 PolarHBondContact O-N 3.07Å
118	L	85.3	Confident	82.5	Confident	86 Å²	86	93.1 Å²	93.1	45%	0.45	43%	0.427	S	S	.	.	H	α-helix	trans	-60.3	-42.2	175.9	-74.4	169.3	0	0	0	110.7	D114 W120 Q121 H122	D114-L118 VanDerWaalsContact O-CB 3.24Å; D114-L118 WeakPolarHBondContact O-CB 3.46Å; D114-L118 WeakPolarHBondContact O-CG 3.34Å; D114-L118 PolarHBondContact O-N 3.43Å; L118-W120 PolarHBondContact O-N 3.43Å; L118-Q121 PolarHBondContact O-N 2.74Å; L118-H122 PolarHBondContact O-N 3.03Å; L118-H122 PolarHBondContact O-ND1 3.34Å
119	H	84.9	Confident	83.2	Confident	112 Å²	112	94.6 Å²	94.6	52%	0.519	44%	0.443	S	S	.	.	H	α-helix	trans	-56.6	-51.3	174	-179.6	81.9	0	0	0	110.2	Q115 I116 L117 Q121 H122 Y123	Q115-H119 WeakPolarHBondContact O-CB 3.03Å; Q115-H119 PolarHBondContact O-N 3.5Å; I116-H119 WeakPolarHBondContact O-CB 3.46Å; I116-H119 PolarHBondContact O-N 3.18Å; L117-H119 VanDerWaalsContact C-N 3.3Å; L117-H119 PolarHBondContact O-N 3.42Å; H119-Q121 PolarHBondContact O-N 3.48Å; H119-H122 PolarHBondContact O-N 3.18Å; H119-Y123 AromaticContact NE2-CD2 3.72Å; H119-Y123 WeakPolarHBondContact O-CA 3.38Å; H119-Y123 WeakPolarHBondContact O-CB 3.42Å; H119-Y123 PolarHBondContact O-N 2.73Å
120	W	81	Confident	83.9	Confident	151 Å²	151	99.3 Å²	99.3	57%	0.572	47%	0.468	S	S	*	.	H	α-helix	trans	-60.4	-42.4	178.1	-75.2	114.3	0	0	0	113.3	I116 L117 L118 H122 Y123	I116-W120 PolarHBondContact O-N 3.2Å; L117-W120 PolarHBondContact O-N 3.3Å; L118-W120 PolarHBondContact O-N 3.43Å; W120-H122 VanDerWaalsContact C-N 3.33Å; W120-H122 PolarHBondContact O-N 2.82Å; W120-Y123 PolarHBondContact O-N 3.44Å
121	Q	83.9	Confident	84.5	Confident	101 Å²	101	94.8 Å²	94.8	47%	0.472	46%	0.457	S	S	.	.	H	α-helix	trans	-61.5	-39.2	178.2	-75.4	179.4	-9.4	0	0	112.9	L117 L118 H119	L117-Q121 WeakPolarHBondContact O-CG 3.21Å; L117-Q121 PolarHBondContact O-N 3.07Å; L118-Q121 PolarHBondContact O-N 2.74Å; H119-Q121 PolarHBondContact O-N 3.48Å
122	H	85.1	Confident	84.8	Confident	97 Å²	97	91.7 Å²	91.7	45%	0.449	45%	0.449	S	S	.	.	H	α-helix	trans	-93.1	-21.9	-177.6	-61.6	87.2	0	0	0	112.6	L118 H119 W120 M124 R125 K126	L118-H122 PolarHBondContact O-N 3.03Å; L118-H122 PolarHBondContact O-ND1 3.34Å; H119-H122 PolarHBondContact O-N 3.18Å; W120-H122 VanDerWaalsContact C-N 3.33Å; W120-H122 PolarHBondContact O-N 2.82Å; H122-M124 PolarHBondContact O-N 3.38Å; H122-R125 PolarHBondContact O-N 3.39Å; H122-K126 WeakPolarHBondContact O-CB 3.35Å; H122-K126 PolarHBondContact O-N 3.43Å
123	Y	84	Confident	85.1	Confident	87 Å²	87	97 Å²	97	34%	0.341	47%	0.471	S	S	.	.	H	α-helix	trans	-59.7	-44.4	-175.6	175.6	-98.9	0	0	0	111.6	H119 W120 R125 K126 R127	H119-Y123 AromaticContact NE2-CD2 3.72Å; H119-Y123 WeakPolarHBondContact O-CA 3.38Å; H119-Y123 WeakPolarHBondContact O-CB 3.42Å; H119-Y123 PolarHBondContact O-N 2.73Å; W120-Y123 PolarHBondContact O-N 3.44Å; Y123-R125 VanDerWaalsContact C-N 3.35Å; Y123-R125 PolarHBondContact O-N 2.77Å; Y123-K126 PolarHBondContact O-N 3.45Å; Y123-R127 WeakPolarHBondContact O-CB 3.25Å; Y123-R127 PolarHBondContact O-N 3.19Å
124	M	79.1	Confident	85.4	Confident	97 Å²	97	99.5 Å²	99.5	48%	0.478	48%	0.481	S	S	.	.	H	α-helix	trans	-63.3	-41	178.8	-68	-61.1	169.4	0	0	112.1	H122 A128	H122-M124 PolarHBondContact O-N 3.38Å; M124-A128 WeakPolarHBondContact O-CB 3.15Å; M124-A128 PolarHBondContact O-N 3.32Å
125	R	84.4	Confident	85.5	Confident	176 Å²	176	98.1 Å²	98.1	66%	0.664	48%	0.476	S	S	*	.	H	α-helix	trans	-67.1	-47	176.5	-66	-175.9	179.4	116.6	-4.2	111.7	H122 Y123 R127 A128 A129	H122-R125 PolarHBondContact O-N 3.39Å; Y123-R125 VanDerWaalsContact C-N 3.35Å; Y123-R125 PolarHBondContact O-N 2.77Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 3.39Å; R125-A128 PolarHBondContact O-N 2.91Å; R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.29Å
126	K	83.8	Confident	85.5	Confident	143 Å²	143	99 Å²	99	62%	0.622	48%	0.48	S	S	*	.	H	α-helix	trans	-61.6	-41.4	177.3	-171.7	177.7	-178.8	179.8	0	110.9	H122 Y123 A129 L130	H122-K126 WeakPolarHBondContact O-CB 3.35Å; H122-K126 PolarHBondContact O-N 3.43Å; Y123-K126 PolarHBondContact O-N 3.45Å; K126-A129 PolarHBondContact O-N 2.83Å; K126-L130 HydrophobicContact CG-CD1 4.2Å; K126-L130 WeakPolarHBondContact O-CB 3.23Å; K126-L130 VanDerWaalsContact O-CG 3.23Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 2.9Å
127	R	85.9	Confident	85.6	Confident	112 Å²	112	103 Å²	103	42%	0.423	50%	0.498	S	S	.	.	H	α-helix	trans	-66.6	-43.9	177.2	-167.7	175.6	76.5	175.3	5.5	111.5	Y123 R125 A129 L130 I131	Y123-R127 WeakPolarHBondContact O-CB 3.25Å; Y123-R127 PolarHBondContact O-N 3.19Å; R125-R127 VanDerWaalsContact C-N 3.31Å; R125-R127 PolarHBondContact O-N 3.39Å; R127-A129 VanDerWaalsContact C-N 3.34Å; R127-A129 PolarHBondContact O-N 2.88Å; R127-L130 PolarHBondContact O-N 2.87Å; R127-I131 HydrophobicContact CG-CD1 3.93Å; R127-I131 HydrophobicContact CG-CG1 4.46Å; R127-I131 WeakPolarHBondContact O-CB 3.38Å; R127-I131 VanDerWaalsContact O-CG1 3.25Å; R127-I131 WeakPolarHBondContact O-CG1 3.45Å; R127-I131 PolarHBondContact O-N 3.41Å
128	A	86.5	Confident	85.5	Confident	58 Å²	58	102.8 Å²	102.8	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-59.8	-44.1	174.2	0	0	0	0	0	111.6	M124 R125 I131 A132	M124-A128 WeakPolarHBondContact O-CB 3.15Å; M124-A128 PolarHBondContact O-N 3.32Å; R125-A128 PolarHBondContact O-N 2.91Å; A128-I131 PolarHBondContact O-N 2.92Å; A128-A132 WeakPolarHBondContact O-CB 3.47Å; A128-A132 PolarHBondContact O-N 3.48Å
129	A	89.6	Confident	84.9	Confident	61 Å²	61	104.4 Å²	104.4	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-39.9	175.9	0	0	0	0	0	112.8	R125 K126 R127 A132 K133	R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.29Å; K126-A129 PolarHBondContact O-N 2.83Å; R127-A129 VanDerWaalsContact C-N 3.34Å; R127-A129 PolarHBondContact O-N 2.88Å; A129-A132 PolarHBondContact O-N 3.19Å; A129-K133 WeakPolarHBondContact O-CB 3.25Å; A129-K133 PolarHBondContact O-N 3.43Å
130	L	88.5	Confident	83.4	Confident	103 Å²	103	106.8 Å²	106.8	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-68	-39.9	176.1	-72.9	170.9	0	0	0	112.4	K126 R127 H134	K126-L130 HydrophobicContact CG-CD1 4.2Å; K126-L130 WeakPolarHBondContact O-CB 3.23Å; K126-L130 VanDerWaalsContact O-CG 3.23Å; K126-L130 WeakPolarHBondContact O-CG 3.44Å; K126-L130 PolarHBondContact O-N 2.9Å; R127-L130 PolarHBondContact O-N 2.87Å; L130-H134 WeakPolarHBondContact O-CB 3.48Å; L130-H134 PolarHBondContact O-N 2.95Å
131	I	89.3	Confident	82.3	Confident	96 Å²	96	104.9 Å²	104.9	49%	0.492	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-45.3	174.7	-67.9	166.5	0	0	0	109.9	R127 A128 K133 H134 V135	R127-I131 HydrophobicContact CG-CD1 3.93Å; R127-I131 HydrophobicContact CG-CG1 4.46Å; R127-I131 WeakPolarHBondContact O-CB 3.38Å; R127-I131 VanDerWaalsContact O-CG1 3.25Å; R127-I131 WeakPolarHBondContact O-CG1 3.45Å; R127-I131 PolarHBondContact O-N 3.41Å; A128-I131 PolarHBondContact O-N 2.92Å; I131-K133 PolarHBondContact O-N 3.25Å; I131-H134 PolarHBondContact O-N 3.48Å; I131-V135 HydrophobicContact CG2-CG2 4.33Å; I131-V135 WeakPolarHBondContact O-CB 3.46Å; I131-V135 VanDerWaalsContact O-CG2 3.25Å; I131-V135 WeakPolarHBondContact O-CG2 3.35Å; I131-V135 PolarHBondContact O-N 3.49Å
132	A	88.9	Confident	80.5	Confident	45 Å²	45	110.1 Å²	110.1	37%	0.372	57%	0.566	S	S	.	*	H	α-helix	trans	-59.2	-46.9	176.6	0	0	0	0	0	111.8	A128 A129 H134 V135 E136	A128-A132 WeakPolarHBondContact O-CB 3.47Å; A128-A132 PolarHBondContact O-N 3.48Å; A129-A132 PolarHBondContact O-N 3.19Å; A132-H134 PolarHBondContact O-N 2.93Å; A132-V135 WeakPolarHBondContact O-CB 3.4Å; A132-V135 PolarHBondContact O-N 2.81Å; A132-E136 WeakPolarHBondContact O-CG 3.38Å; A132-E136 PolarHBondContact O-N 2.87Å
133	K	89.1	Confident	80.3	Confident	117 Å²	117	110.8 Å²	110.8	51%	0.509	57%	0.572	S	S	.	*	H	α-helix	trans	-59.5	-43.4	175.1	-177.2	179.3	171.9	-177.5	0	112.3	A129 I131 V135 E136 E137	A129-K133 WeakPolarHBondContact O-CB 3.25Å; A129-K133 PolarHBondContact O-N 3.43Å; I131-K133 PolarHBondContact O-N 3.25Å; K133-V135 VanDerWaalsContact C-N 3.33Å; K133-E136 PolarHBondContact O-N 3.21Å; K133-E137 WeakPolarHBondContact CE-OE1 3.33Å; K133-E137 IonicContact NZ-OE1 3.86Å; K133-E137 WeakPolarHBondContact O-CG 3.28Å; K133-E137 PolarHBondContact O-N 3.37Å
134	H	87.7	Confident	80.1	Confident	115 Å²	115	112 Å²	112	53%	0.532	58%	0.584	S	S	.	*	H	α-helix	trans	-64.5	-39.4	176.8	-175.7	62.7	0	0	0	111.9	L130 I131 A132 E137 T138	L130-H134 WeakPolarHBondContact O-CB 3.48Å; L130-H134 PolarHBondContact O-N 2.95Å; I131-H134 PolarHBondContact O-N 3.48Å; A132-H134 PolarHBondContact O-N 2.93Å; H134-E137 PolarHBondContact O-N 2.88Å; H134-T138 VanDerWaalsContact O-CG2 3.28Å; H134-T138 WeakPolarHBondContact O-CG2 2.99Å; H134-T138 PolarHBondContact O-N 3.01Å; H134-T138 PolarHBondContact O-OG1 3.29Å
135	V	87.7	Confident	80.2	Confident	65 Å²	65	112.8 Å²	112.8	39%	0.394	59%	0.59	S	S	.	*	H	α-helix	trans	-63.2	-44.6	174.9	169.4	0	0	0	0	110.6	I131 A132 K133 T138 I139	I131-V135 HydrophobicContact CG2-CG2 4.33Å; I131-V135 WeakPolarHBondContact O-CB 3.46Å; I131-V135 VanDerWaalsContact O-CG2 3.25Å; I131-V135 WeakPolarHBondContact O-CG2 3.35Å; I131-V135 PolarHBondContact O-N 3.49Å; A132-V135 WeakPolarHBondContact O-CB 3.4Å; A132-V135 PolarHBondContact O-N 2.81Å; K133-V135 VanDerWaalsContact C-N 3.33Å; V135-T138 WeakPolarHBondContact CA-OG1 3.24Å; V135-T138 PolarHBondContact O-N 3.39Å; V135-T138 PolarHBondContact O-OG1 2.95Å; V135-I139 HydrophobicContact CG1-CD1 3.4Å; V135-I139 HydrophobicContact CG1-CG1 4.27Å; V135-I139 WeakPolarHBondContact O-CB 3.35Å; V135-I139 VanDerWaalsContact O-CG1 3.24Å; V135-I139 WeakPolarHBondContact O-CG1 3.49Å; V135-I139 PolarHBondContact O-N 3.03Å
136	E	84.4	Confident	79.9	Confident	127 Å²	127	109.1 Å²	109.1	59%	0.593	59%	0.585	S	S	*	*	H	α-helix	trans	-59.9	-44.6	174.3	-72.1	168.9	-172.2	0	0	112.4	A132 K133 T138 I139 Q140	A132-E136 WeakPolarHBondContact O-CG 3.38Å; A132-E136 PolarHBondContact O-N 2.87Å; K133-E136 PolarHBondContact O-N 3.21Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 2.93Å; E136-I139 PolarHBondContact O-N 3.34Å; E136-Q140 WeakPolarHBondContact O-CG 3.42Å; E136-Q140 PolarHBondContact O-N 3.21Å
137	E	83.8	Confident	79.7	Confident	120 Å²	120	107 Å²	107	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-63.5	-31.3	176.2	-73	170.9	177.2	0	0	112.7	K133 H134	K133-E137 WeakPolarHBondContact CE-OE1 3.33Å; K133-E137 IonicContact NZ-OE1 3.86Å; K133-E137 WeakPolarHBondContact O-CG 3.28Å; K133-E137 PolarHBondContact O-N 3.37Å; H134-E137 PolarHBondContact O-N 2.88Å
138	T	81.9	Confident	79.3	Confident	90 Å²	90	106.7 Å²	106.7	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-84	-24.8	176.7	59.4	0	0	0	0	114.1	H134 V135 E136	H134-T138 VanDerWaalsContact O-CG2 3.28Å; H134-T138 WeakPolarHBondContact O-CG2 2.99Å; H134-T138 PolarHBondContact O-N 3.01Å; H134-T138 PolarHBondContact O-OG1 3.29Å; V135-T138 WeakPolarHBondContact CA-OG1 3.24Å; V135-T138 PolarHBondContact O-N 3.39Å; V135-T138 PolarHBondContact O-OG1 2.95Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 2.93Å
139	I	73.1	Confident	78.8	Confident	119 Å²	119	110.1 Å²	110.1	61%	0.61	60%	0.602	S	S	*	*	H	α-helix	trans	-98.3	-9.6	-175.7	-64.5	175.8	0	0	0	112.3	V135 E136 P141	V135-I139 HydrophobicContact CG1-CD1 3.4Å; V135-I139 HydrophobicContact CG1-CG1 4.27Å; V135-I139 WeakPolarHBondContact O-CB 3.35Å; V135-I139 VanDerWaalsContact O-CG1 3.24Å; V135-I139 WeakPolarHBondContact O-CG1 3.49Å; V135-I139 PolarHBondContact O-N 3.03Å; E136-I139 PolarHBondContact O-N 3.34Å; I139-P141 WeakPolarHBondContact O-CD 2.79Å
140	Q	54.5	Low	77.9	Confident	163 Å²	163	113.9 Å²	113.9	76%	0.762	61%	0.61	S	S	*	*			trans	-90.6	87.4	166.1	-65.4	-151.5	-3	0	0	110.6	E136	E136-Q140 WeakPolarHBondContact O-CG 3.42Å; E136-Q140 PolarHBondContact O-N 3.21Å
141	P	56.8	Low	77.1	Confident	110 Å²	110	114.8 Å²	114.8	71%	0.714	62%	0.616	S	S	*	*			trans	-65.7	149.4	157.8	33.6	-34	0	0	0	107.9	I139	I139-P141 WeakPolarHBondContact O-CD 2.79Å
142	T	47.5	Very low	75.9	Confident	211 Å²	211	116.5 Å²	116.5	100%	1.294	63%	0.627	S	S	*	*			trans	-38.3	0	163.5	-37.3	0	0	0	0	113.3

Retrieved 142 of 142 residues in 31.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).