A0A5K4F4P5_SCHMA Loading...

Pre-mRNA-splicing factor SYF1

AlphaFold DB , UniProt , Accession A0A5K4F4P5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 886 aa.

						>A0A5K4F4P5_SCHMA|A0A5K4F4P5
MDEEQVIVIDEQDRPFEEELIRNPHNVKSWLRYISMKAKSPPKVVYMLYERAVKQLPGSYKLWYRYLRLRRVHSRSLCPGSILHEETNNAHERALVTMHKMPRIWIDYLMFLMSQGLITRTRHAFDRALKALPITQHDRIWNLYLRFADRHGHKINETCVRIYRRYVKFAPDDMERFVNFLIQHGNANEAAVVLSEIINDDSFMSREGKSKFQLWNQLCNLLVKNPLKITSLKADPIIRQGIHRYTDQVGVLWNSLADYHIRCENLARARDVYAEALNSVSTVRDFTQVFDAYAEFEESMAKAKMAALEQSDVTEDDELDVELYLARLESLMDHRPLLLNSVLLRQNPHNVADWLKRVELLKSQGAREQIAAFMEGITSVDPAKSTAGRPSSLWTGLSRLYEKHNQLNDARVVLEKATGVAFMHVEDLAAIWCEWAEMEMRHDQPEAALRLLGKATTAPSRKVDYYDRSEPVQARLHKSLRLWSLYTDLEESFGTFETTKAAYDRMIDLRIATPQIIMNYALFLEELNYFEDAFKAYEKGVALFRWPNVYDIWATYLSKFIERYGGNKLERARDLFEQCLEKCPPKYAKALHLLYARLEEQHGLARRAIRIYERATEAVLPEERFEMFNIYIQRIADLHGVTHTRSAYEQAIERLPEEHSRKMCLRFADLERKLGEIDRARAVYAYCAQMCDPRTETQFWQIWKEFEVTHGNEDTLREMLRIRRSVQATYNTRVSFVASQLQLNEENPTTNDEMQKLDKSQTEINVTTKSSLAGGRPMVQFQSAGIRQLGLINEKDDKQQKASTNIEEIDINVDDEGEEEEEAGDDSMEEQEIKETVNEDNTDYTISSKRRRKAHPDDIDIENQPVPLAVFGSLKKTDDDDDDSDN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	49.2	Very low	214 Å²	214	129.1 Å²	129.1	100%	1.054	66%	0.659	S	S	*	*				0	79.2	0	-84.4	-82.5	-76.8	0	0	106.3
2	D	30.8	Very low	51.1	Low	163 Å²	163	131.3 Å²	131.3	87%	0.872	67%	0.665	S	S	*	*			trans	-112.6	70.9	-155	-56.1	-87.5	0	0	0	108.2
3	E	36.6	Very low	52.8	Low	143 Å²	143	121.5 Å²	121.5	67%	0.668	62%	0.616	S	S	*	*			trans	-88.8	110.9	167	-70.3	-177.5	-176.8	0	0	108.2	Q5	E3-Q5 HydrophobicContact CB-CG 3.82Å; E3-Q5 PolarHBondContact O-N 3.08Å; E3-Q5 PolarHBondContact OE2-NE2 3.43Å
4	E	40	Very low	54.3	Low	189 Å²	189	122.2 Å²	122.2	88%	0.883	61%	0.607	S	S	*	*			trans	-68.5	77.4	163.1	-65.1	-166.9	126.5	0	0	108.6	V6	E4-V6 WeakPolarHBondContact O-CG2 3.46Å; E4-V6 PolarHBondContact O-N 2.78Å
5	Q	41.9	Very low	55.8	Low	115 Å²	115	119.3 Å²	119.3	54%	0.537	60%	0.6	S	S	.	*			trans	-68.6	85.1	177.3	-66.1	-168	-11.2	0	0	109.1	E3 I7	E3-Q5 HydrophobicContact CB-CG 3.82Å; E3-Q5 PolarHBondContact O-N 3.08Å; E3-Q5 PolarHBondContact OE2-NE2 3.43Å; Q5-I7 PolarHBondContact O-N 3.04Å
6	V	50.6	Low	56.9	Low	124 Å²	124	114.3 Å²	114.3	75%	0.752	57%	0.573	S	S	*	*			trans	-50.9	128.8	178.7	-179.8	0	0	0	0	109.2	E4 V8	E4-V6 WeakPolarHBondContact O-CG2 3.46Å; E4-V6 PolarHBondContact O-N 2.78Å; V6-V8 PolarHBondContact O-N 3.16Å
7	I	54.8	Low	58.2	Low	49 Å²	49	108.9 Å²	108.9	25%	0.251	55%	0.546	S	S	.	.			trans	-64.4	112.2	173.1	-59.9	174	0	0	0	107.1	Q5 I9 L48	Q5-I7 PolarHBondContact O-N 3.04Å; I7-I9 HydrophobicContact CG2-CG1 4.27Å; I7-I9 PolarHBondContact O-N 3.16Å; I7-I9 VanDerWaalsContact O-N 3.09Å; I7-L48 HydrophobicContact CD1-CD2 4.48Å
8	V	58.1	Low	59.3	Low	119 Å²	119	108.1 Å²	108.1	72%	0.721	54%	0.54	S	S	*	.			trans	-66.5	107.3	164.2	-179.6	0	0	0	0	106.5	V6 D10	V6-V8 PolarHBondContact O-N 3.16Å; V8-D10 PolarHBondContact O-N 2.93Å
9	I	61.9	Low	60.2	Low	90 Å²	90	105.4 Å²	105.4	46%	0.462	53%	0.526	S	S	.	.			trans	-81.3	107.6	179.4	-59.3	176.7	0	0	0	107.1	I7 D13 E17	I7-I9 HydrophobicContact CG2-CG1 4.27Å; I7-I9 PolarHBondContact O-N 3.16Å; I7-I9 VanDerWaalsContact O-N 3.09Å; I9-D13 HydrophobicContact CG2-CB 3.8Å; I9-E17 HydrophobicContact CG2-CG 4.09Å
10	D	66.4	Low	61	Low	78 Å²	78	100.6 Å²	100.6	42%	0.417	50%	0.502	S	S	.	.			trans	-66.3	155.8	175.9	-65	-51.9	0	0	0	109.8	V8 Q12 D13 K37	V8-D10 PolarHBondContact O-N 2.93Å; D10-Q12 HydrophobicContact CB-CB 4.48Å; D10-Q12 PolarHBondContact O-N 3.12Å; D10-Q12 VanDerWaalsContact O-N 3.1Å; D10-D13 PolarHBondContact N-OD2 3.33Å; D10-D13 WeakPolarHBondContact O-CB 3.5Å; D10-D13 PolarHBondContact O-N 3.5Å; D10-K37 IonicContact OD2-NZ 2.76Å; D10-K37 PolarHBondContact OD2-NZ 3.11Å
11	E	67.1	Low	61.9	Low	136 Å²	136	102 Å²	102	64%	0.636	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.8	174.9	-57.6	-150.1	117.3	0	0	112.5	D13 R14	E11-D13 PolarHBondContact O-N 3.07Å; E11-R14 PolarHBondContact O-N 3.04Å; E11-R14 IonicContact OE1-CZ 3.76Å; E11-R14 IonicContact OE1-NH1 3.68Å; E11-R14 PolarHBondContact OE1-NH1 3.01Å; E11-R14 IonicContact OE1-NH2 2.7Å; E11-R14 PolarHBondContact OE1-NH2 2.68Å
12	Q	71.2	Confident	64	Low	155 Å²	155	100.2 Å²	100.2	72%	0.724	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.4	174.2	-58.1	-178.7	14	0	0	113.5	D10	D10-Q12 HydrophobicContact CB-CB 4.48Å; D10-Q12 PolarHBondContact O-N 3.12Å; D10-Q12 VanDerWaalsContact O-N 3.1Å
13	D	74.1	Confident	66.1	Low	5 Å²	5	96.8 Å²	96.8	3%	0.027	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-26.5	-179.3	-61.8	-28.2	0	0	0	112.6	I9 D10 E11 P15 F16 E17 Y33 K37	I9-D13 HydrophobicContact CG2-CB 3.8Å; D10-D13 PolarHBondContact N-OD2 3.33Å; D10-D13 WeakPolarHBondContact O-CB 3.5Å; D10-D13 PolarHBondContact O-N 3.5Å; E11-D13 PolarHBondContact O-N 3.07Å; D13-P15 VanDerWaalsContact C-CD 3.42Å; D13-P15 VanDerWaalsContact C-N 3.33Å; D13-P15 VanDerWaalsContact O-N 3.17Å; D13-F16 WeakPolarHBondContact O-CA 3.5Å; D13-F16 WeakPolarHBondContact O-CB 3.49Å; D13-F16 PolarHBondContact O-N 3.26Å; D13-E17 HydrophobicContact CB-CG 4.46Å; D13-E17 PolarHBondContact O-N 2.77Å; D13-Y33 HydrophobicContact CB-CE2 3.96Å; D13-Y33 WeakPolarHBondContact OD1-CE2 3.5Å; D13-K37 WeakPolarHBondContact OD1-CE 3.21Å; D13-K37 IonicContact OD1-NZ 2.94Å; D13-K37 PolarHBondContact OD1-NZ 2.88Å; D13-K37 VanDerWaalsContact OD2-CE 3.25Å; D13-K37 WeakPolarHBondContact OD2-CE 3.43Å; D13-K37 IonicContact OD2-NZ 2.94Å; D13-K37 PolarHBondContact OD2-NZ 2.91Å
14	R	73.6	Confident	68	Low	131 Å²	131	92 Å²	92	49%	0.494	45%	0.454	S	S	.	.	H	α-helix	trans	-49	-43.8	-175.3	-66	-174	-173.1	136.9	7.2	113.8	E11 F16 E17 E18	E11-R14 PolarHBondContact O-N 3.04Å; E11-R14 IonicContact OE1-CZ 3.76Å; E11-R14 IonicContact OE1-NH1 3.68Å; E11-R14 PolarHBondContact OE1-NH1 3.01Å; E11-R14 IonicContact OE1-NH2 2.7Å; E11-R14 PolarHBondContact OE1-NH2 2.68Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.12Å; R14-E17 PolarHBondContact O-N 2.95Å; R14-E18 WeakPolarHBondContact O-CB 3.23Å; R14-E18 WeakPolarHBondContact O-CG 3.43Å; R14-E18 PolarHBondContact O-N 3.44Å
15	P	76.8	Confident	69.8	Low	78 Å²	78	89.7 Å²	89.7	51%	0.506	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-32.9	177.9	-22	34.7	0	0	0	113.4	D13 E19	D13-P15 VanDerWaalsContact C-CD 3.42Å; D13-P15 VanDerWaalsContact C-N 3.33Å; D13-P15 VanDerWaalsContact O-N 3.17Å; P15-E19 PolarHBondContact O-N 2.7Å
16	F	73.5	Confident	71.8	Confident	39 Å²	39	87.1 Å²	87.1	17%	0.171	43%	0.433	C	S	.	.	H	α-helix	trans	-79.7	-36.8	177.3	-60.8	-71.6	0	0	0	111.9	D13 R14 E18 E19 L20 R32 Y33 M36	D13-F16 WeakPolarHBondContact O-CA 3.5Å; D13-F16 WeakPolarHBondContact O-CB 3.49Å; D13-F16 PolarHBondContact O-N 3.26Å; R14-F16 VanDerWaalsContact C-N 3.29Å; R14-F16 PolarHBondContact O-N 3.12Å; F16-E18 VanDerWaalsContact C-N 3.29Å; F16-E18 PolarHBondContact O-N 3Å; F16-E19 PolarHBondContact O-N 3.22Å; F16-L20 WeakPolarHBondContact O-CB 3.43Å; F16-L20 WeakPolarHBondContact O-CD1 3.05Å; F16-L20 WeakPolarHBondContact O-CG 3.44Å; F16-L20 PolarHBondContact O-N 3.3Å; F16-R32 HydrophobicContact CD1-CB 4.39Å; F16-R32 HydrophobicContact CE1-CB 4.2Å; F16-Y33 HydrophobicContact CB-CD2 3.52Å; F16-Y33 HydrophobicContact CB-CE2 4.12Å; F16-Y33 HydrophobicContact CB-CG 3.79Å; F16-Y33 HydrophobicContact CD2-CD2 4.11Å; F16-Y33 AromaticContact CG-CD2 3.88Å; F16-Y33 HydrophobicContact CG-CD2 3.88Å; F16-Y33 HydrophobicContact CG-CG 4.37Å; F16-M36 HydrophobicContact CE1-CG 4.32Å; F16-M36 HydrophobicContact CE2-CB 4.48Å; F16-M36 HydrophobicContact CE2-CG 3.85Å; F16-M36 HydrophobicContact CZ-CG 3.62Å; F16-M36 HydrophobicContact CZ-SD 4.49Å
17	E	79.1	Confident	73.3	Confident	24 Å²	24	83.2 Å²	83.2	11%	0.112	41%	0.41	C	S	.	.	H	α-helix	trans	-60.7	-40.5	169.2	-66.2	-61.2	166.9	0	0	111.1	I9 D13 R14 L20 I21 Y33 R51	I9-E17 HydrophobicContact CG2-CG 4.09Å; D13-E17 HydrophobicContact CB-CG 4.46Å; D13-E17 PolarHBondContact O-N 2.77Å; R14-E17 PolarHBondContact O-N 2.95Å; E17-L20 CarbonylContact O-C 3.55Å; E17-L20 PolarHBondContact O-N 3.15Å; E17-I21 WeakPolarHBondContact O-CB 3.46Å; E17-I21 VanDerWaalsContact O-CG1 3.26Å; E17-I21 WeakPolarHBondContact O-CG1 3.43Å; E17-I21 PolarHBondContact O-N 3.35Å; E17-Y33 WeakPolarHBondContact OE1-CE1 3.49Å; E17-Y33 PolarHBondContact OE1-OH 3.02Å; E17-Y33 VanDerWaalsContact OE1-OH 3.08Å; E17-R51 IonicContact OE1-CZ 2.7Å; E17-R51 VanDerWaalsContact OE1-CZ 3.24Å; E17-R51 IonicContact OE1-NH1 2.86Å; E17-R51 PolarHBondContact OE1-NH1 3.39Å; E17-R51 IonicContact OE1-NH2 3.73Å; E17-R51 PolarHBondContact OE1-NH2 3.1Å; E17-R51 IonicContact OE2-CZ 3.49Å; E17-R51 IonicContact OE2-NH1 3.39Å; E17-R51 PolarHBondContact OE2-NH1 2.7Å; E17-R51 IonicContact OE2-NH2 3.65Å; E17-R51 PolarHBondContact OE2-NH2 3.17Å
18	E	77.8	Confident	74.7	Confident	94 Å²	94	88.4 Å²	88.4	44%	0.439	43%	0.43	S	S	.	.	H	α-helix	trans	-65.2	-43.6	171.5	-76.5	-170	-126.8	0	0	113.2	R14 F16 L20 I21 R22	R14-E18 WeakPolarHBondContact O-CB 3.23Å; R14-E18 WeakPolarHBondContact O-CG 3.43Å; R14-E18 PolarHBondContact O-N 3.44Å; F16-E18 VanDerWaalsContact C-N 3.29Å; F16-E18 PolarHBondContact O-N 3Å; E18-L20 PolarHBondContact O-N 2.87Å; E18-I21 PolarHBondContact O-N 2.93Å; E18-R22 VanDerWaalsContact O-CB 3.25Å; E18-R22 WeakPolarHBondContact O-CB 3.16Å; E18-R22 WeakPolarHBondContact O-CD 3.47Å; E18-R22 WeakPolarHBondContact O-CG 2.88Å; E18-R22 PolarHBondContact O-N 3.05Å; E18-R22 IonicContact OE2-CZ 2.67Å; E18-R22 IonicContact OE2-NE 3.19Å; E18-R22 IonicContact OE2-NH2 2.67Å; E18-R22 PolarHBondContact OE2-NH2 2.92Å
19	E	75.2	Confident	75.9	Confident	56 Å²	56	82.8 Å²	82.8	26%	0.262	40%	0.396	S	S	.	.	H	α-helix	trans	-56.2	-35.3	171.9	-82.5	-162.2	171.2	0	0	111.8	P15 F16 N23 S29 R32	P15-E19 PolarHBondContact O-N 2.7Å; F16-E19 PolarHBondContact O-N 3.22Å; E19-N23 PolarHBondContact O-N 2.92Å; E19-S29 WeakPolarHBondContact OE2-CB 3.23Å; E19-R32 IonicContact OE1-CZ 3.56Å; E19-R32 IonicContact OE1-NH1 3.33Å; E19-R32 PolarHBondContact OE1-NH1 3.32Å; E19-R32 IonicContact OE2-NH1 3.24Å
20	L	77.1	Confident	77.1	Confident	9 Å²	9	78.9 Å²	78.9	5%	0.047	38%	0.376	C	S	.	.	H	α-helix	trans	-83.2	-33.6	-177	-70.3	172	0	0	0	113.6	F16 E17 E18 N23 P24 W30 Y33	F16-L20 WeakPolarHBondContact O-CB 3.43Å; F16-L20 WeakPolarHBondContact O-CD1 3.05Å; F16-L20 WeakPolarHBondContact O-CG 3.44Å; F16-L20 PolarHBondContact O-N 3.3Å; E17-L20 CarbonylContact O-C 3.55Å; E17-L20 PolarHBondContact O-N 3.15Å; E18-L20 PolarHBondContact O-N 2.87Å; L20-N23 CarbonylContact O-C 3.55Å; L20-P24 VanDerWaalsContact O-CA 3.24Å; L20-P24 WeakPolarHBondContact O-CA 3.43Å; L20-P24 WeakPolarHBondContact O-CD 3.45Å; L20-P24 WeakPolarHBondContact O-CG 3.46Å; L20-W30 HydrophobicContact CD1-CD2 4.34Å; L20-W30 HydrophobicContact CD1-CE3 3.89Å; L20-W30 HydrophobicContact CD1-CH2 4.18Å; L20-W30 HydrophobicContact CD1-CZ3 3.83Å; L20-W30 HydrophobicContact CD2-CD2 3.46Å; L20-W30 VanDerWaalsContact CD2-CD2 3.46Å; L20-W30 VanDerWaalsContact CD2-CE2 3.46Å; L20-W30 HydrophobicContact CD2-CE3 3.89Å; L20-W30 HydrophobicContact CD2-CG 3.75Å; L20-W30 HydrophobicContact CD2-CH2 4.29Å; L20-W30 HydrophobicContact CD2-CZ2 3.88Å; L20-W30 HydrophobicContact CD2-CZ3 4.3Å; L20-Y33 HydrophobicContact CD1-CD1 3.55Å; L20-Y33 HydrophobicContact CD1-CE1 4.19Å; L20-Y33 HydrophobicContact CD1-CG 4.26Å
21	I	79.6	Confident	77.9	Confident	132 Å²	132	76.7 Å²	76.7	68%	0.677	36%	0.364	S	S	*	.	H	α-helix	trans	-67.7	-43	169.6	-69.7	162.5	0	0	0	109.8	E17 E18	E17-I21 WeakPolarHBondContact O-CB 3.46Å; E17-I21 VanDerWaalsContact O-CG1 3.26Å; E17-I21 WeakPolarHBondContact O-CG1 3.43Å; E17-I21 PolarHBondContact O-N 3.35Å; E18-I21 PolarHBondContact O-N 2.93Å
22	R	78	Confident	78.6	Confident	176 Å²	176	76.8 Å²	76.8	66%	0.664	36%	0.358	S	S	*	.	H	α-helix	trans	-68.9	-34.4	177.8	-66.2	167	-167.6	-142.1	10.6	112.4	E18	E18-R22 VanDerWaalsContact O-CB 3.25Å; E18-R22 WeakPolarHBondContact O-CB 3.16Å; E18-R22 WeakPolarHBondContact O-CD 3.47Å; E18-R22 WeakPolarHBondContact O-CG 2.88Å; E18-R22 PolarHBondContact O-N 3.05Å; E18-R22 IonicContact OE2-CZ 2.67Å; E18-R22 IonicContact OE2-NE 3.19Å; E18-R22 IonicContact OE2-NH2 2.67Å; E18-R22 PolarHBondContact OE2-NH2 2.92Å
23	N	74.2	Confident	79.2	Confident	91 Å²	91	69.4 Å²	69.4	49%	0.487	32%	0.324	S	S	.	.			trans	-140.3	73.2	-178.3	-70.5	-87.5	0	0	0	113.4	E19 L20 H25 N26	E19-N23 PolarHBondContact O-N 2.92Å; L20-N23 CarbonylContact O-C 3.55Å; N23-H25 PolarHBondContact O-N 3.28Å; N23-H25 VanDerWaalsContact O-N 3.16Å; N23-N26 HydrophobicContact CB-CB 3.9Å; N23-N26 PolarHBondContact O-N 3.48Å
24	P	77.4	Confident	79.6	Confident	42 Å²	42	69.5 Å²	69.5	27%	0.273	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.2	-177.2	-24.3	33.2	0	0	0	113.6	L20 W30	L20-P24 VanDerWaalsContact O-CA 3.24Å; L20-P24 WeakPolarHBondContact O-CA 3.43Å; L20-P24 WeakPolarHBondContact O-CD 3.45Å; L20-P24 WeakPolarHBondContact O-CG 3.46Å; P24-W30 PolarHBondContact O-NE1 3.25Å
25	H	77.7	Confident	80.1	Confident	141 Å²	141	66.8 Å²	66.8	65%	0.653	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	0.2	-175	-52.3	-53.3	0	0	0	114.3	N23 V27 L56	N23-H25 PolarHBondContact O-N 3.28Å; N23-H25 VanDerWaalsContact O-N 3.16Å; H25-V27 PolarHBondContact O-N 3.08Å; H25-L56 HydrophobicContact CB-CD2 4.19Å
26	N	84.3	Confident	80.2	Confident	61 Å²	61	68.4 Å²	68.4	33%	0.326	33%	0.328	S	S	.	.			trans	-85.5	107.3	-177.1	-178.9	7.5	0	0	0	111.7	N23 K28 S29 W30	N23-N26 HydrophobicContact CB-CB 3.9Å; N23-N26 PolarHBondContact O-N 3.48Å; N26-K28 PolarHBondContact O-N 3.15Å; N26-K28 VanDerWaalsContact OD1-CB 3.28Å; N26-K28 WeakPolarHBondContact OD1-CB 3.38Å; N26-K28 PolarHBondContact OD1-N 3.39Å; N26-S29 PolarHBondContact O-N 2.9Å; N26-S29 PolarHBondContact O-OG 3.08Å; N26-W30 PolarHBondContact O-N 3.34Å
27	V	82.2	Confident	80.5	Confident	42 Å²	42	67.7 Å²	67.7	26%	0.255	33%	0.325	S	S	.	.	H	α-helix	trans	-54.3	-28	174.8	178.4	0	0	0	0	112.5	H25 L31 L56 L62	H25-V27 PolarHBondContact O-N 3.08Å; V27-L31 HydrophobicContact CG1-CD1 3.76Å; V27-L31 HydrophobicContact CG1-CG 4.16Å; V27-L31 WeakPolarHBondContact O-CB 3.4Å; V27-L31 WeakPolarHBondContact O-CG 3.22Å; V27-L31 PolarHBondContact O-N 3.14Å; V27-L56 HydrophobicContact CG2-CD1 3.82Å; V27-L62 HydrophobicContact CG1-CD1 4.45Å; V27-L62 HydrophobicContact CG1-CG 4.33Å
28	K	84.3	Confident	80.3	Confident	158 Å²	158	69.8 Å²	69.8	69%	0.687	35%	0.346	S	S	*	.	H	α-helix	trans	-71.3	-40.5	-178.9	-61.1	-179	-179.7	176.6	0	113.1	N26 L31 R32	N26-K28 PolarHBondContact O-N 3.15Å; N26-K28 VanDerWaalsContact OD1-CB 3.28Å; N26-K28 WeakPolarHBondContact OD1-CB 3.38Å; N26-K28 PolarHBondContact OD1-N 3.39Å; K28-L31 PolarHBondContact O-N 3.01Å; K28-R32 WeakPolarHBondContact O-CG 3.37Å; K28-R32 PolarHBondContact O-N 3.37Å
29	S	83.4	Confident	80.1	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.007	37%	0.368	C	S	.	.	H	α-helix	trans	-69	-42.2	178.3	42.7	0	0	0	0	111	E19 N26 L31 R32 Y33	E19-S29 WeakPolarHBondContact OE2-CB 3.23Å; N26-S29 PolarHBondContact O-N 2.9Å; N26-S29 PolarHBondContact O-OG 3.08Å; S29-L31 PolarHBondContact O-N 3.04Å; S29-R32 WeakPolarHBondContact O-CB 3.35Å; S29-R32 PolarHBondContact O-N 3.15Å; S29-Y33 PolarHBondContact O-N 3.11Å
30	W	85.2	Confident	80.2	Confident	7 Å²	7	73.8 Å²	73.8	3%	0.027	36%	0.364	C	S	.	.	H	α-helix	trans	-56	-48	170.1	-70.9	107.7	0	0	0	112.2	L20 P24 N26 R32 Y33 I34 R51 A52 Q55 L62	L20-W30 HydrophobicContact CD1-CD2 4.34Å; L20-W30 HydrophobicContact CD1-CE3 3.89Å; L20-W30 HydrophobicContact CD1-CH2 4.18Å; L20-W30 HydrophobicContact CD1-CZ3 3.83Å; L20-W30 HydrophobicContact CD2-CD2 3.46Å; L20-W30 VanDerWaalsContact CD2-CD2 3.46Å; L20-W30 VanDerWaalsContact CD2-CE2 3.46Å; L20-W30 HydrophobicContact CD2-CE3 3.89Å; L20-W30 HydrophobicContact CD2-CG 3.75Å; L20-W30 HydrophobicContact CD2-CH2 4.29Å; L20-W30 HydrophobicContact CD2-CZ2 3.88Å; L20-W30 HydrophobicContact CD2-CZ3 4.3Å; P24-W30 PolarHBondContact O-NE1 3.25Å; N26-W30 PolarHBondContact O-N 3.34Å; W30-R32 VanDerWaalsContact C-N 3.35Å; W30-R32 PolarHBondContact O-N 3.26Å; W30-Y33 PolarHBondContact O-N 2.72Å; W30-I34 VanDerWaalsContact O-CB 3.28Å; W30-I34 WeakPolarHBondContact O-CB 3.37Å; W30-I34 WeakPolarHBondContact O-CD1 3.27Å; W30-I34 WeakPolarHBondContact O-CG1 3.45Å; W30-I34 PolarHBondContact O-N 2.9Å; W30-R51 HydrophobicContact CH2-CB 4.19Å; W30-R51 HydrophobicContact CH2-CG 3.97Å; W30-R51 HydrophobicContact CZ3-CB 4.07Å; W30-R51 HydrophobicContact CZ3-CG 4.29Å; W30-A52 HydrophobicContact CB-CB 4.25Å; W30-A52 HydrophobicContact CD2-CB 3.56Å; W30-A52 HydrophobicContact CE3-CB 3.42Å; W30-A52 VanDerWaalsContact CE3-CB 3.42Å; W30-A52 HydrophobicContact CG-CB 3.94Å; W30-A52 HydrophobicContact CZ3-CB 4.02Å; W30-Q55 HydrophobicContact CH2-CG 4.37Å; W30-Q55 HydrophobicContact CZ2-CB 3.91Å; W30-Q55 HydrophobicContact CZ2-CG 3.82Å; W30-L62 HydrophobicContact CB-CD1 4.17Å; W30-L62 HydrophobicContact CB-CD2 4.08Å; W30-L62 HydrophobicContact CG-CD1 4.42Å
31	L	84.2	Confident	80.3	Confident	33 Å²	33	77.5 Å²	77.5	17%	0.173	39%	0.389	C	S	.	.	H	α-helix	trans	-66.7	-32	179	-72.6	176.5	0	0	0	113.4	V27 K28 S29 S35 L62	V27-L31 HydrophobicContact CG1-CD1 3.76Å; V27-L31 HydrophobicContact CG1-CG 4.16Å; V27-L31 WeakPolarHBondContact O-CB 3.4Å; V27-L31 WeakPolarHBondContact O-CG 3.22Å; V27-L31 PolarHBondContact O-N 3.14Å; K28-L31 PolarHBondContact O-N 3.01Å; S29-L31 PolarHBondContact O-N 3.04Å; L31-S35 VanDerWaalsContact O-CB 3.31Å; L31-S35 WeakPolarHBondContact O-CB 3.46Å; L31-S35 PolarHBondContact O-N 3Å; L31-S35 PolarHBondContact O-OG 2.65Å; L31-L62 HydrophobicContact CD2-CD2 3.66Å; L31-L62 HydrophobicContact CG-CD2 4.06Å
32	R	82.1	Confident	80.2	Confident	137 Å²	137	73.9 Å²	73.9	52%	0.517	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-54.6	171	-80.1	175.4	169.7	-177	-4.9	111	F16 E19 K28 S29 W30 I34 S35 M36	F16-R32 HydrophobicContact CD1-CB 4.39Å; F16-R32 HydrophobicContact CE1-CB 4.2Å; E19-R32 IonicContact OE1-CZ 3.56Å; E19-R32 IonicContact OE1-NH1 3.33Å; E19-R32 PolarHBondContact OE1-NH1 3.32Å; E19-R32 IonicContact OE2-NH1 3.24Å; K28-R32 WeakPolarHBondContact O-CG 3.37Å; K28-R32 PolarHBondContact O-N 3.37Å; S29-R32 WeakPolarHBondContact O-CB 3.35Å; S29-R32 PolarHBondContact O-N 3.15Å; W30-R32 VanDerWaalsContact C-N 3.35Å; W30-R32 PolarHBondContact O-N 3.26Å; R32-I34 VanDerWaalsContact C-N 3.34Å; R32-I34 PolarHBondContact O-N 2.73Å; R32-S35 WeakPolarHBondContact O-CA 3.29Å; R32-S35 WeakPolarHBondContact O-CB 3.45Å; R32-S35 PolarHBondContact O-N 3.15Å; R32-S35 PolarHBondContact O-OG 3.28Å; R32-M36 PolarHBondContact O-N 3.47Å
33	Y	83.4	Confident	80.2	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-45.3	-178.1	-173.3	-149.5	0	0	0	111.9	D13 F16 E17 L20 S29 W30 S35 M36 K37 L48	D13-Y33 HydrophobicContact CB-CE2 3.96Å; D13-Y33 WeakPolarHBondContact OD1-CE2 3.5Å; F16-Y33 HydrophobicContact CB-CD2 3.52Å; F16-Y33 HydrophobicContact CB-CE2 4.12Å; F16-Y33 HydrophobicContact CB-CG 3.79Å; F16-Y33 HydrophobicContact CD2-CD2 4.11Å; F16-Y33 AromaticContact CG-CD2 3.88Å; F16-Y33 HydrophobicContact CG-CD2 3.88Å; F16-Y33 HydrophobicContact CG-CG 4.37Å; E17-Y33 WeakPolarHBondContact OE1-CE1 3.49Å; E17-Y33 PolarHBondContact OE1-OH 3.02Å; E17-Y33 VanDerWaalsContact OE1-OH 3.08Å; L20-Y33 HydrophobicContact CD1-CD1 3.55Å; L20-Y33 HydrophobicContact CD1-CE1 4.19Å; L20-Y33 HydrophobicContact CD1-CG 4.26Å; S29-Y33 PolarHBondContact O-N 3.11Å; W30-Y33 PolarHBondContact O-N 2.72Å; Y33-S35 VanDerWaalsContact C-N 3.28Å; Y33-S35 PolarHBondContact O-N 3.49Å; Y33-M36 PolarHBondContact O-N 2.81Å; Y33-K37 HydrophobicContact CD2-CG 4.33Å; Y33-K37 HydrophobicContact CE2-CG 3.97Å; Y33-K37 PolarHBondContact O-N 3.3Å; Y33-L48 HydrophobicContact CD1-CD1 4.49Å; Y33-L48 HydrophobicContact CD1-CD2 4Å; Y33-L48 HydrophobicContact CE1-CD1 4.2Å; Y33-L48 HydrophobicContact CE1-CD2 3.31Å; Y33-L48 HydrophobicContact CE1-CG 4.35Å
34	I	82.8	Confident	80.4	Confident	8 Å²	8	70.6 Å²	70.6	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-61.3	-34	173.9	-70.5	166.4	0	0	0	112	W30 R32 A38 L48 Y49 A52 L62	W30-I34 VanDerWaalsContact O-CB 3.28Å; W30-I34 WeakPolarHBondContact O-CB 3.37Å; W30-I34 WeakPolarHBondContact O-CD1 3.27Å; W30-I34 WeakPolarHBondContact O-CG1 3.45Å; W30-I34 PolarHBondContact O-N 2.9Å; R32-I34 VanDerWaalsContact C-N 3.34Å; R32-I34 PolarHBondContact O-N 2.73Å; I34-A38 PolarHBondContact O-N 2.83Å; I34-A38 VanDerWaalsContact O-N 3.07Å; I34-L48 HydrophobicContact CG1-CB 4.33Å; I34-Y49 HydrophobicContact CD1-CD1 3.87Å; I34-Y49 HydrophobicContact CD1-CE1 3.82Å; I34-Y49 HydrophobicContact CD1-CE2 4.48Å; I34-Y49 HydrophobicContact CD1-CG 4.28Å; I34-Y49 HydrophobicContact CG2-CE1 4.27Å; I34-Y49 HydrophobicContact CG2-CE2 3.65Å; I34-Y49 WeakPolarHBondContact CG2-OH 3.27Å; I34-A52 HydrophobicContact CD1-CB 4.35Å; I34-L62 HydrophobicContact CD1-CD2 3.75Å
35	S	83.1	Confident	80.8	Confident	73 Å²	73	69.3 Å²	69.3	51%	0.51	36%	0.356	S	S	.	.	H	α-helix	trans	-72.4	-33.2	176.7	72	0	0	0	0	113.4	L31 R32 Y33 A38	L31-S35 VanDerWaalsContact O-CB 3.31Å; L31-S35 WeakPolarHBondContact O-CB 3.46Å; L31-S35 PolarHBondContact O-N 3Å; L31-S35 PolarHBondContact O-OG 2.65Å; R32-S35 WeakPolarHBondContact O-CA 3.29Å; R32-S35 WeakPolarHBondContact O-CB 3.45Å; R32-S35 PolarHBondContact O-N 3.15Å; R32-S35 PolarHBondContact O-OG 3.28Å; Y33-S35 VanDerWaalsContact C-N 3.28Å; Y33-S35 PolarHBondContact O-N 3.49Å; S35-A38 VanDerWaalsContact O-CB 3.26Å; S35-A38 WeakPolarHBondContact O-CB 3.27Å
36	M	79.9	Confident	81	Confident	113 Å²	113	63.7 Å²	63.7	56%	0.557	33%	0.329	S	S	*	.	H	α-helix	trans	-69.2	-51.2	172.8	-71.3	-63.4	-66.8	0	0	111.2	F16 R32 Y33 A38	F16-M36 HydrophobicContact CE1-CG 4.32Å; F16-M36 HydrophobicContact CE2-CB 4.48Å; F16-M36 HydrophobicContact CE2-CG 3.85Å; F16-M36 HydrophobicContact CZ-CG 3.62Å; F16-M36 HydrophobicContact CZ-SD 4.49Å; R32-M36 PolarHBondContact O-N 3.47Å; Y33-M36 PolarHBondContact O-N 2.81Å; M36-A38 PolarHBondContact O-N 3.32Å; M36-A38 VanDerWaalsContact O-N 3.11Å
37	K	79.1	Confident	80.9	Confident	24 Å²	24	65.1 Å²	65.1	10%	0.104	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-73.9	6.4	177.1	-69.3	-69.7	-139.9	-141.7	0	113.4	D10 D13 Y33 K39 S40 V45 L48	D10-K37 IonicContact OD2-NZ 2.76Å; D10-K37 PolarHBondContact OD2-NZ 3.11Å; D13-K37 WeakPolarHBondContact OD1-CE 3.21Å; D13-K37 IonicContact OD1-NZ 2.94Å; D13-K37 PolarHBondContact OD1-NZ 2.88Å; D13-K37 VanDerWaalsContact OD2-CE 3.25Å; D13-K37 WeakPolarHBondContact OD2-CE 3.43Å; D13-K37 IonicContact OD2-NZ 2.94Å; D13-K37 PolarHBondContact OD2-NZ 2.91Å; Y33-K37 HydrophobicContact CD2-CG 4.33Å; Y33-K37 HydrophobicContact CE2-CG 3.97Å; Y33-K37 PolarHBondContact O-N 3.3Å; K37-K39 PolarHBondContact O-N 2.93Å; K37-K39 VanDerWaalsContact O-N 3.11Å; K37-S40 VanDerWaalsContact O-CB 3.26Å; K37-S40 WeakPolarHBondContact O-CB 3.13Å; K37-S40 PolarHBondContact O-N 3.05Å; K37-S40 PolarHBondContact O-OG 2.87Å; K37-V45 WeakPolarHBondContact O-CG2 3.36Å; K37-L48 HydrophobicContact CB-CD1 3.58Å; K37-L48 HydrophobicContact CG-CD1 3.69Å
38	A	75.2	Confident	81	Confident	67 Å²	67	63.1 Å²	63.1	55%	0.554	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-62.7	-17.5	177.7	0	0	0	0	0	114.3	I34 S35 M36	I34-A38 PolarHBondContact O-N 2.83Å; I34-A38 VanDerWaalsContact O-N 3.07Å; S35-A38 VanDerWaalsContact O-CB 3.26Å; S35-A38 WeakPolarHBondContact O-CB 3.27Å; M36-A38 PolarHBondContact O-N 3.32Å; M36-A38 VanDerWaalsContact O-N 3.11Å
39	K	74.6	Confident	81.1	Confident	209 Å²	209	55.9 Å²	55.9	91%	0.909	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-90.7	-8.2	171.9	-63.3	-176.4	179.9	-179.4	0	114.1	K37	K37-K39 PolarHBondContact O-N 2.93Å; K37-K39 VanDerWaalsContact O-N 3.11Å
40	S	76.1	Confident	81.1	Confident	26 Å²	26	57.4 Å²	57.4	18%	0.182	30%	0.298	C	S	.	.	S	Bend	trans	-75.7	157.9	179.7	74.3	0	0	0	0	111.2	K37 V45	K37-S40 VanDerWaalsContact O-CB 3.26Å; K37-S40 WeakPolarHBondContact O-CB 3.13Å; K37-S40 PolarHBondContact O-N 3.05Å; K37-S40 PolarHBondContact O-OG 2.87Å; S40-V45 WeakPolarHBondContact OG-CG2 3.48Å
41	P	78.8	Confident	81.1	Confident	86 Å²	86	60 Å²	60	56%	0.558	31%	0.307	S	S	*	.			trans	-55.7	143.3	179	21	-33.4	0	0	0	111.6	K43 V44 V45	P41-K43 PolarHBondContact O-N 3.16Å; P41-V44 HydrophobicContact CG-CG2 4.08Å; P41-V44 WeakPolarHBondContact O-CB 3.37Å; P41-V44 PolarHBondContact O-N 3.17Å; P41-V45 PolarHBondContact O-N 3.23Å
42	P	77.2	Confident	81.1	Confident	56 Å²	56	58.4 Å²	58.4	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-24.6	-165.1	20.8	-33	0	0	0	114.3	V45 Y46	P42-V45 PolarHBondContact O-N 2.92Å; P42-Y46 HydrophobicContact CB-CE2 4.43Å; P42-Y46 WeakPolarHBondContact O-CD1 3.35Å; P42-Y46 WeakPolarHBondContact O-CD2 3.44Å; P42-Y46 PolarHBondContact O-N 3.35Å
43	K	78.6	Confident	81.2	Confident	148 Å²	148	52.3 Å²	52.3	64%	0.643	28%	0.277	S	S	*	.	H	α-helix	trans	-57.6	-45.7	170.6	-68	-172.4	175.5	-172.6	0	112.5	P41 Y46 M47	P41-K43 PolarHBondContact O-N 3.16Å; K43-Y46 PolarHBondContact O-N 3.16Å; K43-M47 WeakPolarHBondContact O-CG 3.12Å; K43-M47 PolarHBondContact O-N 3.31Å
44	V	79.7	Confident	81.2	Confident	51 Å²	51	60.4 Å²	60.4	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-45.3	177.8	175.7	0	0	0	0	109.9	P41 Y46 M47 L48	P41-V44 HydrophobicContact CG-CG2 4.08Å; P41-V44 WeakPolarHBondContact O-CB 3.37Å; P41-V44 PolarHBondContact O-N 3.17Å; V44-Y46 VanDerWaalsContact C-N 3.31Å; V44-Y46 PolarHBondContact O-N 2.99Å; V44-M47 PolarHBondContact O-N 3.39Å; V44-L48 HydrophobicContact CG1-CD1 4.3Å; V44-L48 WeakPolarHBondContact O-CG 3.44Å; V44-L48 PolarHBondContact O-N 3.34Å
45	V	84.1	Confident	81.1	Confident	15 Å²	15	64.6 Å²	64.6	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-56.8	-43.9	174.7	-178.6	0	0	0	0	111.3	K37 S40 P41 P42 L48 Y49 L69	K37-V45 WeakPolarHBondContact O-CG2 3.36Å; S40-V45 WeakPolarHBondContact OG-CG2 3.48Å; P41-V45 PolarHBondContact O-N 3.23Å; P42-V45 PolarHBondContact O-N 2.92Å; V45-L48 PolarHBondContact O-N 3.4Å; V45-Y49 HydrophobicContact CG1-CD2 3.84Å; V45-Y49 HydrophobicContact CG1-CE2 3.7Å; V45-Y49 VanDerWaalsContact O-CD2 3.25Å; V45-Y49 WeakPolarHBondContact O-CD2 3.4Å; V45-Y49 PolarHBondContact O-N 3.22Å; V45-L69 HydrophobicContact CG1-CD1 4.31Å
46	Y	83.6	Confident	81.1	Confident	22 Å²	22	62.4 Å²	62.4	9%	0.086	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-43.4	176.1	-60.4	-20.2	0	0	0	112.5	P42 K43 V44 L48 Y49 E50 Y66 R70 H73	P42-Y46 HydrophobicContact CB-CE2 4.43Å; P42-Y46 WeakPolarHBondContact O-CD1 3.35Å; P42-Y46 WeakPolarHBondContact O-CD2 3.44Å; P42-Y46 PolarHBondContact O-N 3.35Å; K43-Y46 PolarHBondContact O-N 3.16Å; V44-Y46 VanDerWaalsContact C-N 3.31Å; V44-Y46 PolarHBondContact O-N 2.99Å; Y46-L48 VanDerWaalsContact C-N 3.27Å; Y46-L48 PolarHBondContact O-N 2.99Å; Y46-Y49 CarbonylContact O-C 3.53Å; Y46-Y49 PolarHBondContact O-N 2.77Å; Y46-Y49 VanDerWaalsContact O-N 3.14Å; Y46-E50 WeakPolarHBondContact O-CG 3.5Å; Y46-E50 PolarHBondContact O-N 3.15Å; Y46-Y66 HydrophobicContact CD1-CD2 4.45Å; Y46-Y66 AromaticContact CD1-CE2 3.86Å; Y46-Y66 HydrophobicContact CD1-CE2 3.86Å; Y46-Y66 HydrophobicContact CG-CE2 4.24Å; Y46-R70 HydrophobicContact CD1-CG 4.38Å; Y46-R70 HydrophobicContact CE1-CG 3.97Å; Y46-H73 VanDerWaalsContact OH-CB 3.23Å; Y46-H73 WeakPolarHBondContact OH-CB 3.28Å; Y46-H73 PolarHBondContact OH-ND1 2.71Å
47	M	82	Confident	81	Confident	91 Å²	91	60.1 Å²	60.1	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-37.6	176.7	-70.2	-66.2	-83.1	0	0	112	K43 V44 E50 R51	K43-M47 WeakPolarHBondContact O-CG 3.12Å; K43-M47 PolarHBondContact O-N 3.31Å; V44-M47 PolarHBondContact O-N 3.39Å; M47-E50 PolarHBondContact O-N 3.39Å; M47-R51 WeakPolarHBondContact O-CB 3.4Å; M47-R51 PolarHBondContact O-N 3.34Å
48	L	83.9	Confident	81	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-68.4	-39.4	174.3	-65.4	177.9	0	0	0	112.7	I7 Y33 I34 K37 V44 V45 Y46 R51 A52	I7-L48 HydrophobicContact CD1-CD2 4.48Å; Y33-L48 HydrophobicContact CD1-CD1 4.49Å; Y33-L48 HydrophobicContact CD1-CD2 4Å; Y33-L48 HydrophobicContact CE1-CD1 4.2Å; Y33-L48 HydrophobicContact CE1-CD2 3.31Å; Y33-L48 HydrophobicContact CE1-CG 4.35Å; I34-L48 HydrophobicContact CG1-CB 4.33Å; K37-L48 HydrophobicContact CB-CD1 3.58Å; K37-L48 HydrophobicContact CG-CD1 3.69Å; V44-L48 HydrophobicContact CG1-CD1 4.3Å; V44-L48 WeakPolarHBondContact O-CG 3.44Å; V44-L48 PolarHBondContact O-N 3.34Å; V45-L48 PolarHBondContact O-N 3.4Å; Y46-L48 VanDerWaalsContact C-N 3.27Å; Y46-L48 PolarHBondContact O-N 2.99Å; L48-R51 PolarHBondContact O-N 2.8Å; L48-A52 WeakPolarHBondContact O-CB 3.34Å; L48-A52 PolarHBondContact O-N 3.34Å
49	Y	85.1	Confident	81.5	Confident	6 Å²	6	59.3 Å²	59.3	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-38.8	171.3	-84.7	-72.8	0	0	0	112.6	I34 V45 Y46 R51 A52 V53 L62 R65 Y66 L69	I34-Y49 HydrophobicContact CD1-CD1 3.87Å; I34-Y49 HydrophobicContact CD1-CE1 3.82Å; I34-Y49 HydrophobicContact CD1-CE2 4.48Å; I34-Y49 HydrophobicContact CD1-CG 4.28Å; I34-Y49 HydrophobicContact CG2-CE1 4.27Å; I34-Y49 HydrophobicContact CG2-CE2 3.65Å; I34-Y49 WeakPolarHBondContact CG2-OH 3.27Å; V45-Y49 HydrophobicContact CG1-CD2 3.84Å; V45-Y49 HydrophobicContact CG1-CE2 3.7Å; V45-Y49 VanDerWaalsContact O-CD2 3.25Å; V45-Y49 WeakPolarHBondContact O-CD2 3.4Å; V45-Y49 PolarHBondContact O-N 3.22Å; Y46-Y49 CarbonylContact O-C 3.53Å; Y46-Y49 PolarHBondContact O-N 2.77Å; Y46-Y49 VanDerWaalsContact O-N 3.14Å; Y49-R51 VanDerWaalsContact C-N 3.35Å; Y49-A52 PolarHBondContact O-N 3.21Å; Y49-V53 VanDerWaalsContact O-CB 3.23Å; Y49-V53 WeakPolarHBondContact O-CB 3.43Å; Y49-V53 VanDerWaalsContact O-CG2 3.24Å; Y49-V53 WeakPolarHBondContact O-CG2 3.44Å; Y49-V53 PolarHBondContact O-N 3Å; Y49-L62 HydrophobicContact CE1-CD2 4.33Å; Y49-L62 WeakPolarHBondContact CE1-O 3.5Å; Y49-R65 HydrophobicContact CE1-CB 4.04Å; Y49-R65 WeakPolarHBondContact OH-CB 3.42Å; Y49-Y66 VanDerWaalsContact CB-CD2 3.42Å; Y49-Y66 HydrophobicContact CD1-CD2 4.27Å; Y49-Y66 HydrophobicContact CD1-CG 4.04Å; Y49-Y66 AromaticContact CD2-CD2 3.86Å; Y49-Y66 HydrophobicContact CD2-CD2 3.86Å; Y49-Y66 HydrophobicContact CD2-CG 4.45Å; Y49-Y66 AromaticContact CG-CD2 3.61Å; Y49-Y66 HydrophobicContact CG-CD2 3.61Å; Y49-Y66 HydrophobicContact CG-CE2 4.35Å; Y49-Y66 AromaticContact CG-CG 3.81Å; Y49-Y66 HydrophobicContact CG-CG 3.81Å; Y49-L69 HydrophobicContact CD2-CD1 4.39Å; Y49-L69 HydrophobicContact CE2-CD1 3.39Å; Y49-L69 WeakPolarHBondContact OH-CD1 3.38Å
50	E	83.6	Confident	81.9	Confident	32 Å²	32	53 Å²	53	15%	0.15	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-42.8	173.7	-73	-61.2	151.7	0	0	111.3	Y46 M47 V53 K54 Y66 R93	Y46-E50 WeakPolarHBondContact O-CG 3.5Å; Y46-E50 PolarHBondContact O-N 3.15Å; M47-E50 PolarHBondContact O-N 3.39Å; E50-V53 PolarHBondContact O-N 3.11Å; E50-K54 WeakPolarHBondContact O-CB 3.4Å; E50-K54 VanDerWaalsContact O-CG 3.31Å; E50-K54 WeakPolarHBondContact O-CG 3.36Å; E50-K54 PolarHBondContact O-N 3.42Å; E50-Y66 WeakPolarHBondContact OE1-CE1 3.35Å; E50-Y66 VanDerWaalsContact OE1-CZ 3.3Å; E50-Y66 PolarHBondContact OE1-OH 3.34Å; E50-R93 VanDerWaalsContact CD-NH1 3.35Å; E50-R93 IonicContact OE1-CZ 3.65Å; E50-R93 IonicContact OE1-NH1 2.81Å; E50-R93 PolarHBondContact OE1-NH1 3.16Å; E50-R93 VanDerWaalsContact OE1-NH1 3.16Å; E50-R93 IonicContact OE1-NH2 3.71Å; E50-R93 PolarHBondContact OE1-NH2 3.38Å; E50-R93 IonicContact OE2-CZ 3.5Å; E50-R93 IonicContact OE2-NH1 2.74Å; E50-R93 PolarHBondContact OE2-NH1 2.97Å; E50-R93 IonicContact OE2-NH2 2.65Å
51	R	85.2	Confident	82.3	Confident	61 Å²	61	58.8 Å²	58.8	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-42.3	176.1	-151.7	178.1	76.3	-174.9	8	111.8	E17 W30 M47 L48 Y49 Q55	E17-R51 IonicContact OE1-CZ 2.7Å; E17-R51 VanDerWaalsContact OE1-CZ 3.24Å; E17-R51 IonicContact OE1-NH1 2.86Å; E17-R51 PolarHBondContact OE1-NH1 3.39Å; E17-R51 IonicContact OE1-NH2 3.73Å; E17-R51 PolarHBondContact OE1-NH2 3.1Å; E17-R51 IonicContact OE2-CZ 3.49Å; E17-R51 IonicContact OE2-NH1 3.39Å; E17-R51 PolarHBondContact OE2-NH1 2.7Å; E17-R51 IonicContact OE2-NH2 3.65Å; E17-R51 PolarHBondContact OE2-NH2 3.17Å; W30-R51 HydrophobicContact CH2-CB 4.19Å; W30-R51 HydrophobicContact CH2-CG 3.97Å; W30-R51 HydrophobicContact CZ3-CB 4.07Å; W30-R51 HydrophobicContact CZ3-CG 4.29Å; M47-R51 WeakPolarHBondContact O-CB 3.4Å; M47-R51 PolarHBondContact O-N 3.34Å; L48-R51 PolarHBondContact O-N 2.8Å; Y49-R51 VanDerWaalsContact C-N 3.35Å; R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.02Å
52	A	85.3	Confident	82.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-40.9	175.5	0	0	0	0	0	112.6	W30 I34 L48 Y49 Q55 L56 L62	W30-A52 HydrophobicContact CB-CB 4.25Å; W30-A52 HydrophobicContact CD2-CB 3.56Å; W30-A52 HydrophobicContact CE3-CB 3.42Å; W30-A52 VanDerWaalsContact CE3-CB 3.42Å; W30-A52 HydrophobicContact CG-CB 3.94Å; W30-A52 HydrophobicContact CZ3-CB 4.02Å; I34-A52 HydrophobicContact CD1-CB 4.35Å; L48-A52 WeakPolarHBondContact O-CB 3.34Å; L48-A52 PolarHBondContact O-N 3.34Å; Y49-A52 PolarHBondContact O-N 3.21Å; A52-Q55 PolarHBondContact O-N 3.41Å; A52-L56 PolarHBondContact O-N 3.06Å; A52-L62 HydrophobicContact CB-CD1 4.01Å; A52-L62 HydrophobicContact CB-CD2 4.28Å
53	V	83.3	Confident	83.1	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-69.1	-39.8	179	159.9	0	0	0	0	111.8	Y49 E50 Q55 L56 P57 W63 Y66	Y49-V53 VanDerWaalsContact O-CB 3.23Å; Y49-V53 WeakPolarHBondContact O-CB 3.43Å; Y49-V53 VanDerWaalsContact O-CG2 3.24Å; Y49-V53 WeakPolarHBondContact O-CG2 3.44Å; Y49-V53 PolarHBondContact O-N 3Å; E50-V53 PolarHBondContact O-N 3.11Å; V53-Q55 VanDerWaalsContact C-N 3.26Å; V53-Q55 PolarHBondContact O-N 3.24Å; V53-L56 CarbonylContact O-C 3.6Å; V53-L56 PolarHBondContact O-N 3.38Å; V53-P57 WeakPolarHBondContact O-CA 3.45Å; V53-P57 VanDerWaalsContact O-N 3.17Å; V53-W63 HydrophobicContact CB-CZ2 4.4Å; V53-W63 HydrophobicContact CG1-CD2 4.36Å; V53-W63 HydrophobicContact CG1-CH2 3.57Å; V53-W63 HydrophobicContact CG1-CZ2 3.23Å; V53-W63 HydrophobicContact CG1-CZ3 4.25Å; V53-W63 HydrophobicContact CG2-CD2 3.88Å; V53-W63 HydrophobicContact CG2-CE3 4.14Å; V53-W63 HydrophobicContact CG2-CG 4.36Å; V53-W63 HydrophobicContact CG2-CZ2 4.28Å; V53-W63 HydrophobicContact CG2-CZ3 4.43Å; V53-Y66 HydrophobicContact CG2-CD1 4.33Å
54	K	83.2	Confident	83.5	Confident	171 Å²	171	48.4 Å²	48.4	74%	0.743	24%	0.242	S	C	*	.	H	α-helix	trans	-59.4	-37.4	173.2	-77.4	176.3	178.4	-176.2	0	112	E50	E50-K54 WeakPolarHBondContact O-CB 3.4Å; E50-K54 VanDerWaalsContact O-CG 3.31Å; E50-K54 WeakPolarHBondContact O-CG 3.36Å; E50-K54 PolarHBondContact O-N 3.42Å
55	Q	82.4	Confident	83.7	Confident	96 Å²	96	51.9 Å²	51.9	45%	0.449	25%	0.25	S	C	.	.	H	α-helix	trans	-85.1	-26.8	-179.4	-67.6	-71.4	-1.5	0	0	113.8	W30 R51 A52 V53	W30-Q55 HydrophobicContact CH2-CG 4.37Å; W30-Q55 HydrophobicContact CZ2-CB 3.91Å; W30-Q55 HydrophobicContact CZ2-CG 3.82Å; R51-Q55 WeakPolarHBondContact O-CG 3.47Å; R51-Q55 PolarHBondContact O-N 3.02Å; A52-Q55 PolarHBondContact O-N 3.41Å; V53-Q55 VanDerWaalsContact C-N 3.26Å; V53-Q55 PolarHBondContact O-N 3.24Å
56	L	81.2	Confident	83.8	Confident	26 Å²	26	51.1 Å²	51.1	14%	0.136	25%	0.245	C	C	.	.			trans	-134.4	63.7	-177.5	-72.6	172.3	0	0	0	112.6	H25 V27 A52 V53 G58 S59 L62	H25-L56 HydrophobicContact CB-CD2 4.19Å; V27-L56 HydrophobicContact CG2-CD1 3.82Å; A52-L56 PolarHBondContact O-N 3.06Å; V53-L56 CarbonylContact O-C 3.6Å; V53-L56 PolarHBondContact O-N 3.38Å; L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 2.81Å; L56-G58 VanDerWaalsContact O-N 3.12Å; L56-S59 WeakPolarHBondContact CB-OG 3.15Å; L56-S59 WeakPolarHBondContact O-CB 3.46Å; L56-S59 PolarHBondContact O-N 3.04Å; L56-S59 PolarHBondContact O-OG 3.12Å; L56-L62 HydrophobicContact CB-CD1 4.36Å; L56-L62 HydrophobicContact CD1-CD1 4.17Å
57	P	79	Confident	83.9	Confident	65 Å²	65	50.2 Å²	50.2	42%	0.422	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.5	-172.8	19.4	-32.1	0	0	0	115.2	V53 W63 T97	V53-P57 WeakPolarHBondContact O-CA 3.45Å; V53-P57 VanDerWaalsContact O-N 3.17Å; P57-W63 PolarHBondContact O-NE1 2.9Å; P57-T97 HydrophobicContact CB-CG2 3.91Å; P57-T97 VanDerWaalsContact O-CB 3.3Å; P57-T97 WeakPolarHBondContact O-CB 3.44Å; P57-T97 PolarHBondContact O-OG1 3.29Å
58	G	79.5	Confident	84.1	Confident	60 Å²	60	53.1 Å²	53.1	62%	0.619	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	2.5	177.5	0	0	0	0	0	115.6	L56 Y60	L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 2.81Å; L56-G58 VanDerWaalsContact O-N 3.12Å; G58-Y60 PolarHBondContact O-N 3.1Å; G58-Y60 VanDerWaalsContact O-N 3.1Å
59	S	84.3	Confident	84.1	Confident	14 Å²	14	55.9 Å²	55.9	10%	0.098	26%	0.262	C	S	.	.			trans	-84.8	87.8	-168.3	63	0	0	0	0	113.9	L56 K61 L62 W63	L56-S59 WeakPolarHBondContact CB-OG 3.15Å; L56-S59 WeakPolarHBondContact O-CB 3.46Å; L56-S59 PolarHBondContact O-N 3.04Å; L56-S59 PolarHBondContact O-OG 3.12Å; S59-K61 PolarHBondContact O-N 2.98Å; S59-L62 PolarHBondContact O-N 3.42Å; S59-L62 WeakPolarHBondContact OG-CD1 3.26Å; S59-W63 PolarHBondContact O-N 3.29Å; S59-W63 VanDerWaalsContact O-N 3.16Å
60	Y	83.7	Confident	84	Confident	77 Å²	77	56.4 Å²	56.4	30%	0.302	26%	0.264	S	S	.	.	H	α-helix	trans	-45.7	-39.9	178.1	177.2	-95.3	0	0	0	114.2	G58 L62 Y64 M98 M101 I104	G58-Y60 PolarHBondContact O-N 3.1Å; G58-Y60 VanDerWaalsContact O-N 3.1Å; Y60-L62 PolarHBondContact O-N 3.15Å; Y60-Y64 HydrophobicContact CE1-CG 4.29Å; Y60-Y64 WeakPolarHBondContact O-CB 3.23Å; Y60-Y64 PolarHBondContact O-N 3.36Å; Y60-M98 HydrophobicContact CD2-SD 4.42Å; Y60-M101 HydrophobicContact CD2-CG 4.39Å; Y60-I104 HydrophobicContact CD2-CD1 3.96Å; Y60-I104 HydrophobicContact CD2-CG1 4.34Å; Y60-I104 HydrophobicContact CE2-CD1 4.06Å; Y60-I104 HydrophobicContact CE2-CG1 3.91Å
61	K	84.1	Confident	83.9	Confident	147 Å²	147	56 Å²	56	64%	0.639	26%	0.261	S	S	*	.	H	α-helix	trans	-66.6	-34.1	-178.5	-68	-177.2	-179.9	177.8	0	113.7	S59 R65	S59-K61 PolarHBondContact O-N 2.98Å; K61-R65 WeakPolarHBondContact O-CG 3.46Å
62	L	85	Confident	83.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-77	-50.3	176	-74.9	166.3	0	0	0	109.8	V27 W30 L31 I34 Y49 A52 L56 S59 Y60 Y64 R65 Y66	V27-L62 HydrophobicContact CG1-CD1 4.45Å; V27-L62 HydrophobicContact CG1-CG 4.33Å; W30-L62 HydrophobicContact CB-CD1 4.17Å; W30-L62 HydrophobicContact CB-CD2 4.08Å; W30-L62 HydrophobicContact CG-CD1 4.42Å; L31-L62 HydrophobicContact CD2-CD2 3.66Å; L31-L62 HydrophobicContact CG-CD2 4.06Å; I34-L62 HydrophobicContact CD1-CD2 3.75Å; Y49-L62 HydrophobicContact CE1-CD2 4.33Å; Y49-L62 WeakPolarHBondContact CE1-O 3.5Å; A52-L62 HydrophobicContact CB-CD1 4.01Å; A52-L62 HydrophobicContact CB-CD2 4.28Å; L56-L62 HydrophobicContact CB-CD1 4.36Å; L56-L62 HydrophobicContact CD1-CD1 4.17Å; S59-L62 PolarHBondContact O-N 3.42Å; S59-L62 WeakPolarHBondContact OG-CD1 3.26Å; Y60-L62 PolarHBondContact O-N 3.15Å; L62-Y64 PolarHBondContact O-N 2.89Å; L62-R65 PolarHBondContact O-N 3.05Å; L62-Y66 WeakPolarHBondContact O-CB 3.33Å; L62-Y66 PolarHBondContact O-N 2.83Å
63	W	88.7	Confident	83.6	Confident	4 Å²	4	60 Å²	60	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-46	177.3	-81.6	114.2	0	0	0	113.9	V53 P57 S59 R65 Y66 L67 A90 R93 A94 M98	V53-W63 HydrophobicContact CB-CZ2 4.4Å; V53-W63 HydrophobicContact CG1-CD2 4.36Å; V53-W63 HydrophobicContact CG1-CH2 3.57Å; V53-W63 HydrophobicContact CG1-CZ2 3.23Å; V53-W63 HydrophobicContact CG1-CZ3 4.25Å; V53-W63 HydrophobicContact CG2-CD2 3.88Å; V53-W63 HydrophobicContact CG2-CE3 4.14Å; V53-W63 HydrophobicContact CG2-CG 4.36Å; V53-W63 HydrophobicContact CG2-CZ2 4.28Å; V53-W63 HydrophobicContact CG2-CZ3 4.43Å; P57-W63 PolarHBondContact O-NE1 2.9Å; S59-W63 PolarHBondContact O-N 3.29Å; S59-W63 VanDerWaalsContact O-N 3.16Å; W63-R65 VanDerWaalsContact C-N 3.33Å; W63-R65 PolarHBondContact O-N 3.06Å; W63-Y66 HydrophobicContact CE3-CD1 4.06Å; W63-Y66 HydrophobicContact CZ3-CD1 4.17Å; W63-Y66 HydrophobicContact CZ3-CE1 4.46Å; W63-Y66 PolarHBondContact O-N 3.08Å; W63-L67 HydrophobicContact CE3-CD2 4.48Å; W63-L67 HydrophobicContact CE3-CG 4.38Å; W63-L67 WeakPolarHBondContact O-CB 3.46Å; W63-L67 VanDerWaalsContact O-CG 3.25Å; W63-L67 WeakPolarHBondContact O-CG 3.42Å; W63-L67 PolarHBondContact O-N 2.84Å; W63-A90 WeakPolarHBondContact CZ3-O 3.27Å; W63-R93 HydrophobicContact CH2-CB 3.78Å; W63-A94 HydrophobicContact CD2-CB 3.87Å; W63-A94 HydrophobicContact CE3-CB 3.51Å; W63-A94 HydrophobicContact CH2-CB 4.03Å; W63-A94 HydrophobicContact CZ2-CB 4.33Å; W63-A94 HydrophobicContact CZ3-CB 3.62Å; W63-M98 HydrophobicContact CB-CE 3.5Å; W63-M98 VanDerWaalsContact CB-CE 3.5Å; W63-M98 HydrophobicContact CB-SD 4.07Å; W63-M98 HydrophobicContact CD2-CE 3.75Å; W63-M98 HydrophobicContact CG-CE 3.23Å; W63-M98 HydrophobicContact CG-SD 4.05Å
64	Y	86.1	Confident	83.3	Confident	68 Å²	68	59.5 Å²	59.5	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-40.7	179.9	178.3	-106.2	0	0	0	111.8	Y60 L62 R68 R103 D107	Y60-Y64 HydrophobicContact CE1-CG 4.29Å; Y60-Y64 WeakPolarHBondContact O-CB 3.23Å; Y60-Y64 PolarHBondContact O-N 3.36Å; L62-Y64 PolarHBondContact O-N 2.89Å; Y64-R68 WeakPolarHBondContact O-CB 3.21Å; Y64-R68 PolarHBondContact O-N 2.93Å; Y64-R103 HydrophobicContact CE2-CG 4.08Å; Y64-D107 WeakPolarHBondContact CE2-OD2 3.17Å
65	R	84.3	Confident	82.8	Confident	124 Å²	124	59.7 Å²	59.7	47%	0.468	28%	0.281	S	S	.	.	H	α-helix	trans	-66.6	-43	173.2	-71.8	-177.1	173.1	-152.9	-1.6	111.7	Y49 K61 L62 W63 R68 L69	Y49-R65 HydrophobicContact CE1-CB 4.04Å; Y49-R65 WeakPolarHBondContact OH-CB 3.42Å; K61-R65 WeakPolarHBondContact O-CG 3.46Å; L62-R65 PolarHBondContact O-N 3.05Å; W63-R65 VanDerWaalsContact C-N 3.33Å; W63-R65 PolarHBondContact O-N 3.06Å; R65-R68 PolarHBondContact O-N 3.12Å; R65-L69 WeakPolarHBondContact O-CB 3.01Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 2.84Å
66	Y	86.9	Confident	82.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-53.3	179	-175.6	-151.3	0	0	0	111.9	Y46 Y49 E50 V53 L62 W63 R68 L69 R70 A90	Y46-Y66 HydrophobicContact CD1-CD2 4.45Å; Y46-Y66 AromaticContact CD1-CE2 3.86Å; Y46-Y66 HydrophobicContact CD1-CE2 3.86Å; Y46-Y66 HydrophobicContact CG-CE2 4.24Å; Y49-Y66 VanDerWaalsContact CB-CD2 3.42Å; Y49-Y66 HydrophobicContact CD1-CD2 4.27Å; Y49-Y66 HydrophobicContact CD1-CG 4.04Å; Y49-Y66 AromaticContact CD2-CD2 3.86Å; Y49-Y66 HydrophobicContact CD2-CD2 3.86Å; Y49-Y66 HydrophobicContact CD2-CG 4.45Å; Y49-Y66 AromaticContact CG-CD2 3.61Å; Y49-Y66 HydrophobicContact CG-CD2 3.61Å; Y49-Y66 HydrophobicContact CG-CE2 4.35Å; Y49-Y66 AromaticContact CG-CG 3.81Å; Y49-Y66 HydrophobicContact CG-CG 3.81Å; E50-Y66 WeakPolarHBondContact OE1-CE1 3.35Å; E50-Y66 VanDerWaalsContact OE1-CZ 3.3Å; E50-Y66 PolarHBondContact OE1-OH 3.34Å; V53-Y66 HydrophobicContact CG2-CD1 4.33Å; L62-Y66 WeakPolarHBondContact O-CB 3.33Å; L62-Y66 PolarHBondContact O-N 2.83Å; W63-Y66 HydrophobicContact CE3-CD1 4.06Å; W63-Y66 HydrophobicContact CZ3-CD1 4.17Å; W63-Y66 HydrophobicContact CZ3-CE1 4.46Å; W63-Y66 PolarHBondContact O-N 3.08Å; Y66-R68 PolarHBondContact O-N 3.24Å; Y66-L69 PolarHBondContact O-N 2.93Å; Y66-R70 HydrophobicContact CD2-CG 4.4Å; Y66-R70 HydrophobicContact CE2-CG 4.03Å; Y66-R70 WeakPolarHBondContact O-CB 3.35Å; Y66-R70 PolarHBondContact O-N 3.2Å; Y66-R70 PolarHBondContact OH-NE 3.09Å; Y66-R70 PolarHBondContact OH-NH2 3.09Å; Y66-A90 HydrophobicContact CE1-CB 4.5Å
67	L	85.4	Confident	81.8	Confident	2 Å²	2	62 Å²	62	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-37.9	178.6	-62.5	173.4	0	0	0	111.5	W63 R70 R71 A90 H91 A94 I104	W63-L67 HydrophobicContact CE3-CD2 4.48Å; W63-L67 HydrophobicContact CE3-CG 4.38Å; W63-L67 WeakPolarHBondContact O-CB 3.46Å; W63-L67 VanDerWaalsContact O-CG 3.25Å; W63-L67 WeakPolarHBondContact O-CG 3.42Å; W63-L67 PolarHBondContact O-N 2.84Å; L67-R70 PolarHBondContact O-N 3.44Å; L67-R71 WeakPolarHBondContact O-CB 3.41Å; L67-R71 VanDerWaalsContact O-CG 3.3Å; L67-R71 WeakPolarHBondContact O-CG 3.47Å; L67-R71 PolarHBondContact O-N 3.11Å; L67-A90 HydrophobicContact CD2-CB 3.94Å; L67-H91 HydrophobicContact CD2-CB 4.48Å; L67-A94 HydrophobicContact CD1-CB 3.73Å; L67-A94 HydrophobicContact CD2-CB 4.45Å; L67-I104 HydrophobicContact CD1-CG2 4.01Å
68	R	86.2	Confident	81.2	Confident	153 Å²	153	63.9 Å²	63.9	58%	0.577	32%	0.317	S	S	*	.	H	α-helix	trans	-60.9	-47.7	173.2	-178.9	179	177.3	-173.8	0.2	111.3	Y64 R65 Y66 R71 V72	Y64-R68 WeakPolarHBondContact O-CB 3.21Å; Y64-R68 PolarHBondContact O-N 2.93Å; R65-R68 PolarHBondContact O-N 3.12Å; Y66-R68 PolarHBondContact O-N 3.24Å; R68-R71 PolarHBondContact O-N 3.49Å; R68-V72 WeakPolarHBondContact O-CG2 3.28Å; R68-V72 PolarHBondContact O-N 3.29Å
69	L	84	Confident	80.5	Confident	59 Å²	59	65.3 Å²	65.3	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-49.2	177.1	-76.7	165.2	0	0	0	111	V45 Y49 R65 Y66 R71 V72 H73	V45-L69 HydrophobicContact CG1-CD1 4.31Å; Y49-L69 HydrophobicContact CD2-CD1 4.39Å; Y49-L69 HydrophobicContact CE2-CD1 3.39Å; Y49-L69 WeakPolarHBondContact OH-CD1 3.38Å; R65-L69 WeakPolarHBondContact O-CB 3.01Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 2.84Å; Y66-L69 PolarHBondContact O-N 2.93Å; L69-R71 PolarHBondContact O-N 3.34Å; L69-V72 PolarHBondContact O-N 3.46Å; L69-V72 VanDerWaalsContact O-N 3.14Å; L69-H73 PolarHBondContact O-N 3.18Å; L69-H73 VanDerWaalsContact O-N 3.12Å; L69-H73 PolarHBondContact O-ND1 3.42Å
70	R	82.6	Confident	79.6	Confident	17 Å²	17	68 Å²	68	6%	0.064	35%	0.346	C	S	.	.	H	α-helix	trans	-55.1	-48.4	176	-98.3	-172.7	178.3	-79	5.2	111.8	Y46 Y66 L67 V72 H73 S74 E86 T87	Y46-R70 HydrophobicContact CD1-CG 4.38Å; Y46-R70 HydrophobicContact CE1-CG 3.97Å; Y66-R70 HydrophobicContact CD2-CG 4.4Å; Y66-R70 HydrophobicContact CE2-CG 4.03Å; Y66-R70 WeakPolarHBondContact O-CB 3.35Å; Y66-R70 PolarHBondContact O-N 3.2Å; Y66-R70 PolarHBondContact OH-NE 3.09Å; Y66-R70 PolarHBondContact OH-NH2 3.09Å; L67-R70 PolarHBondContact O-N 3.44Å; R70-V72 VanDerWaalsContact C-N 3.33Å; R70-V72 PolarHBondContact O-N 3.47Å; R70-H73 PolarHBondContact O-N 2.85Å; R70-S74 PolarHBondContact O-N 2.67Å; R70-S74 PolarHBondContact O-OG 2.95Å; R70-E86 IonicContact CZ-OE2 2.63Å; R70-E86 VanDerWaalsContact CZ-OE2 3.31Å; R70-E86 VanDerWaalsContact NH1-CB 3.28Å; R70-E86 IonicContact NH1-OE2 2.77Å; R70-E86 PolarHBondContact NH1-OE2 2.86Å; R70-E86 IonicContact NH2-OE2 2.72Å; R70-E86 PolarHBondContact NH2-OE2 3.25Å; R70-T87 HydrophobicContact CB-CG2 3.49Å; R70-T87 VanDerWaalsContact CB-CG2 3.49Å; R70-T87 HydrophobicContact CG-CG2 3.83Å; R70-T87 WeakPolarHBondContact O-CG2 3.47Å
71	R	81.8	Confident	79.1	Confident	23 Å²	23	65.9 Å²	65.9	9%	0.087	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-30.1	176.5	-72.9	-170.8	-50.7	-99.2	8.5	114.5	L67 R68 L69 S74 R75 H91 D107 F111	L67-R71 WeakPolarHBondContact O-CB 3.41Å; L67-R71 VanDerWaalsContact O-CG 3.3Å; L67-R71 WeakPolarHBondContact O-CG 3.47Å; L67-R71 PolarHBondContact O-N 3.11Å; R68-R71 PolarHBondContact O-N 3.49Å; L69-R71 PolarHBondContact O-N 3.34Å; R71-S74 WeakPolarHBondContact CA-OG 3.48Å; R71-S74 PolarHBondContact O-OG 2.72Å; R71-R75 WeakPolarHBondContact O-CB 3.1Å; R71-R75 WeakPolarHBondContact O-CD 3.39Å; R71-R75 WeakPolarHBondContact O-CG 3.31Å; R71-R75 PolarHBondContact O-N 2.77Å; R71-H91 PolarHBondContact NH1-CE1 3.05Å; R71-H91 PolarHBondContact NH1-NE2 3.4Å; R71-D107 IonicContact CZ-OD2 3.46Å; R71-D107 IonicContact NH1-OD2 2.74Å; R71-D107 IonicContact NH2-OD1 3.91Å; R71-D107 IonicContact NH2-OD2 3.05Å; R71-D107 PolarHBondContact NH2-OD2 2.88Å; R71-F111 HydrophobicContact CG-CD2 4.26Å; R71-F111 HydrophobicContact CG-CG 4.28Å
72	V	83.3	Confident	78.9	Confident	84 Å²	84	65.1 Å²	65.1	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-68.7	-43.7	174	168.7	0	0	0	0	110.3	R68 L69 R70 R75	R68-V72 WeakPolarHBondContact O-CG2 3.28Å; R68-V72 PolarHBondContact O-N 3.29Å; L69-V72 PolarHBondContact O-N 3.46Å; L69-V72 VanDerWaalsContact O-N 3.14Å; R70-V72 VanDerWaalsContact C-N 3.33Å; R70-V72 PolarHBondContact O-N 3.47Å; V72-R75 PolarHBondContact O-N 2.83Å
73	H	80.1	Confident	78.5	Confident	60 Å²	60	67.1 Å²	67.1	28%	0.278	35%	0.354	S	S	.	.	H	α-helix	trans	-73	-31	-179.9	-67.3	79.7	0	0	0	113.5	Y46 L69 R70 S76 L77	Y46-H73 VanDerWaalsContact OH-CB 3.23Å; Y46-H73 WeakPolarHBondContact OH-CB 3.28Å; Y46-H73 PolarHBondContact OH-ND1 2.71Å; L69-H73 PolarHBondContact O-N 3.18Å; L69-H73 VanDerWaalsContact O-N 3.12Å; L69-H73 PolarHBondContact O-ND1 3.42Å; R70-H73 PolarHBondContact O-N 2.85Å; H73-S76 PolarHBondContact O-OG 2.94Å; H73-L77 VanDerWaalsContact O-CD1 3.27Å; H73-L77 WeakPolarHBondContact O-CD1 3.48Å
74	S	77	Confident	78.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-76.2	-28	173.4	57.9	0	0	0	0	112.9	R70 R71 S76 L77 H84 F111	R70-S74 PolarHBondContact O-N 2.67Å; R70-S74 PolarHBondContact O-OG 2.95Å; R71-S74 WeakPolarHBondContact CA-OG 3.48Å; R71-S74 PolarHBondContact O-OG 2.72Å; S74-S76 VanDerWaalsContact C-N 3.25Å; S74-S76 PolarHBondContact O-N 3.36Å; S74-L77 PolarHBondContact O-N 3.48Å; S74-L77 VanDerWaalsContact O-O 3.05Å; S74-H84 PolarHBondContact O-CE1 3.38Å; S74-H84 PolarHBondContact O-NE2 3.14Å; S74-F111 WeakPolarHBondContact OG-CE2 3.36Å; S74-F111 WeakPolarHBondContact OG-CZ 3.34Å
75	R	72.8	Confident	77.9	Confident	174 Å²	174	69.6 Å²	69.6	66%	0.657	37%	0.369	S	S	*	.	H	α-helix	trans	-64.4	-24.7	174.2	-84.6	174.2	176.2	-158.4	-2.1	114.3	R71 V72 L77	R71-R75 WeakPolarHBondContact O-CB 3.1Å; R71-R75 WeakPolarHBondContact O-CD 3.39Å; R71-R75 WeakPolarHBondContact O-CG 3.31Å; R71-R75 PolarHBondContact O-N 2.77Å; V72-R75 PolarHBondContact O-N 2.83Å; R75-L77 VanDerWaalsContact C-N 3.32Å
76	S	71.5	Confident	77.9	Confident	93 Å²	93	67.2 Å²	67.2	65%	0.65	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.7	176.3	49.2	0	0	0	0	114.2	H73 S74	H73-S76 PolarHBondContact O-OG 2.94Å; S74-S76 VanDerWaalsContact C-N 3.25Å; S74-S76 PolarHBondContact O-N 3.36Å
77	L	71.6	Confident	77.9	Confident	78 Å²	78	67.2 Å²	67.2	41%	0.408	36%	0.363	S	S	.	.	S	Bend	trans	-124.4	151.2	175.1	-77	87.4	0	0	0	111.3	H73 S74 R75 S81 L83 H84	H73-L77 VanDerWaalsContact O-CD1 3.27Å; H73-L77 WeakPolarHBondContact O-CD1 3.48Å; S74-L77 PolarHBondContact O-N 3.48Å; S74-L77 VanDerWaalsContact O-O 3.05Å; R75-L77 VanDerWaalsContact C-N 3.32Å; L77-S81 WeakPolarHBondContact CB-OG 3.29Å; L77-L83 HydrophobicContact CD1-CD1 3.98Å; L77-L83 HydrophobicContact CD2-CD1 4.12Å; L77-H84 PolarHBondContact O-NE2 3.37Å
78	C	66.6	Low	77.9	Confident	104 Å²	104	67.3 Å²	67.3	70%	0.703	36%	0.363	S	S	*	.			trans	-51.7	138.9	178.8	-66.9	0	0	0	0	111.9	G80 S81 H84	C78-G80 PolarHBondContact O-N 2.95Å; C78-S81 PolarHBondContact O-N 3.16Å; C78-S81 VanDerWaalsContact O-N 3.17Å; C78-S81 PolarHBondContact O-OG 3.17Å; C78-H84 PolarHBondContact O-CD2 3.16Å; C78-H84 PolarHBondContact O-NE2 3.16Å
79	P	63.4	Low	78	Confident	90 Å²	90	63.4 Å²	63.4	58%	0.584	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	130.1	172.3	-26.3	35.2	0	0	0	111.1
80	G	65.6	Low	78.1	Confident	72 Å²	72	60.6 Å²	60.6	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-6	-177	0	0	0	0	0	115.9	C78	C78-G80 PolarHBondContact O-N 2.95Å
81	S	74.8	Confident	78.2	Confident	32 Å²	32	59.8 Å²	59.8	22%	0.224	34%	0.336	C	S	.	.	S	Bend	trans	-62.4	155.2	167.4	60.2	0	0	0	0	112.3	L77 C78 L83 H84	L77-S81 WeakPolarHBondContact CB-OG 3.29Å; C78-S81 PolarHBondContact O-N 3.16Å; C78-S81 VanDerWaalsContact O-N 3.17Å; C78-S81 PolarHBondContact O-OG 3.17Å; S81-L83 PolarHBondContact O-N 3.11Å; S81-H84 WeakPolarHBondContact O-CB 3.37Å; S81-H84 PolarHBondContact O-N 2.74Å; S81-H84 PolarHBondContact OG-CD2 2.92Å
82	I	78.5	Confident	78.5	Confident	130 Å²	130	60.9 Å²	60.9	67%	0.667	34%	0.342	S	S	*	.	H	α-helix	trans	-49.9	-36.1	-177.7	-58.1	173	0	0	0	112.2	H84 E85 E86	I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 2.89Å; I82-E85 PolarHBondContact O-N 2.86Å; I82-E85 VanDerWaalsContact O-N 3.09Å; I82-E86 HydrophobicContact CG2-CG 4.35Å; I82-E86 PolarHBondContact O-N 2.8Å
83	L	77.6	Confident	78.6	Confident	42 Å²	42	61.5 Å²	61.5	22%	0.22	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-34.6	176.1	-68.7	175.1	0	0	0	113	L77 S81 E85 E86 T87	L77-L83 HydrophobicContact CD1-CD1 3.98Å; L77-L83 HydrophobicContact CD2-CD1 4.12Å; S81-L83 PolarHBondContact O-N 3.11Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 3.39Å; L83-E86 PolarHBondContact O-N 2.95Å; L83-T87 VanDerWaalsContact O-CB 3.26Å; L83-T87 WeakPolarHBondContact O-CB 3.31Å; L83-T87 WeakPolarHBondContact O-CG2 3.3Å; L83-T87 PolarHBondContact O-N 2.82Å; L83-T87 PolarHBondContact O-OG1 3.22Å
84	H	79.5	Confident	78.9	Confident	11 Å²	11	58.6 Å²	58.6	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-34.9	172.8	-78.2	-75	0	0	0	112.2	S74 L77 C78 S81 I82 T87 N88 F111 Q115	S74-H84 PolarHBondContact O-CE1 3.38Å; S74-H84 PolarHBondContact O-NE2 3.14Å; L77-H84 PolarHBondContact O-NE2 3.37Å; C78-H84 PolarHBondContact O-CD2 3.16Å; C78-H84 PolarHBondContact O-NE2 3.16Å; S81-H84 WeakPolarHBondContact O-CB 3.37Å; S81-H84 PolarHBondContact O-N 2.74Å; S81-H84 PolarHBondContact OG-CD2 2.92Å; I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 2.89Å; H84-T87 WeakPolarHBondContact CA-OG1 3.26Å; H84-T87 PolarHBondContact O-OG1 3.14Å; H84-T87 VanDerWaalsContact O-OG1 3.11Å; H84-N88 WeakPolarHBondContact O-CB 3.21Å; H84-N88 PolarHBondContact O-N 3.3Å; H84-N88 VanDerWaalsContact O-N 3.09Å; H84-N88 PolarHBondContact O-ND2 2.89Å; H84-F111 AromaticContact CE1-CE2 3.93Å; H84-F111 AromaticContact ND1-CE2 3.58Å; H84-F111 AromaticContact ND1-CZ 3.3Å; H84-F111 VanDerWaalsContact ND1-CZ 3.3Å; H84-F111 WeakPolarHBondContact ND1-CZ 3.22Å; H84-Q115 PolarHBondContact ND1-NE2 2.96Å
85	E	82.4	Confident	79.3	Confident	114 Å²	114	59 Å²	59	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-73.6	-48.6	174.1	-178.4	162.2	-146.4	0	0	112	I82 L83 T87 N88 N89	I82-E85 PolarHBondContact O-N 2.86Å; I82-E85 VanDerWaalsContact O-N 3.09Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 3.39Å; E85-T87 VanDerWaalsContact C-N 3.27Å; E85-T87 PolarHBondContact O-N 2.95Å; E85-N88 WeakPolarHBondContact O-CB 3.3Å; E85-N88 PolarHBondContact O-N 2.94Å; E85-N89 WeakPolarHBondContact O-CB 3.47Å; E85-N89 PolarHBondContact O-N 3.15Å; E85-N89 PolarHBondContact O-ND2 2.56Å; E85-N89 PolarHBondContact O-OD1 3.3Å
86	E	83.6	Confident	80	Confident	73 Å²	73	56.4 Å²	56.4	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-38.3	175.5	-70.4	-175.9	-142.6	0	0	112.7	R70 I82 L83 N89 A90	R70-E86 IonicContact CZ-OE2 2.63Å; R70-E86 VanDerWaalsContact CZ-OE2 3.31Å; R70-E86 VanDerWaalsContact NH1-CB 3.28Å; R70-E86 IonicContact NH1-OE2 2.77Å; R70-E86 PolarHBondContact NH1-OE2 2.86Å; R70-E86 IonicContact NH2-OE2 2.72Å; R70-E86 PolarHBondContact NH2-OE2 3.25Å; I82-E86 HydrophobicContact CG2-CG 4.35Å; I82-E86 PolarHBondContact O-N 2.8Å; L83-E86 PolarHBondContact O-N 2.95Å; E86-N89 CarbonylContact O-C 3.4Å; E86-N89 PolarHBondContact O-N 2.81Å; E86-A90 WeakPolarHBondContact O-CB 3.23Å; E86-A90 PolarHBondContact O-N 3.15Å
87	T	86.3	Confident	80.4	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-71.1	-36.4	178.3	51.5	0	0	0	0	112	R70 L83 H84 E85 A90 H91 F111	R70-T87 HydrophobicContact CB-CG2 3.49Å; R70-T87 VanDerWaalsContact CB-CG2 3.49Å; R70-T87 HydrophobicContact CG-CG2 3.83Å; R70-T87 WeakPolarHBondContact O-CG2 3.47Å; L83-T87 VanDerWaalsContact O-CB 3.26Å; L83-T87 WeakPolarHBondContact O-CB 3.31Å; L83-T87 WeakPolarHBondContact O-CG2 3.3Å; L83-T87 PolarHBondContact O-N 2.82Å; L83-T87 PolarHBondContact O-OG1 3.22Å; H84-T87 WeakPolarHBondContact CA-OG1 3.26Å; H84-T87 PolarHBondContact O-OG1 3.14Å; H84-T87 VanDerWaalsContact O-OG1 3.11Å; E85-T87 VanDerWaalsContact C-N 3.27Å; E85-T87 PolarHBondContact O-N 2.95Å; T87-A90 PolarHBondContact O-N 3.47Å; T87-H91 PolarHBondContact O-CD2 2.81Å; T87-H91 PolarHBondContact O-N 3.35Å; T87-F111 WeakPolarHBondContact OG1-CE1 3.41Å; T87-F111 WeakPolarHBondContact OG1-CZ 3.43Å
88	N	87	Confident	80.8	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-45	166.9	-74.6	-21.4	0	0	0	111	H84 E85 A90 H91 E92 Y108 F111 Q115	H84-N88 WeakPolarHBondContact O-CB 3.21Å; H84-N88 PolarHBondContact O-N 3.3Å; H84-N88 VanDerWaalsContact O-N 3.09Å; H84-N88 PolarHBondContact O-ND2 2.89Å; E85-N88 WeakPolarHBondContact O-CB 3.3Å; E85-N88 PolarHBondContact O-N 2.94Å; N88-A90 VanDerWaalsContact C-N 3.32Å; N88-A90 PolarHBondContact O-N 3.04Å; N88-H91 CarbonylContact O-C 3.58Å; N88-H91 WeakPolarHBondContact O-CA 3.31Å; N88-H91 WeakPolarHBondContact O-CB 3.47Å; N88-H91 PolarHBondContact O-N 3.46Å; N88-E92 WeakPolarHBondContact O-CG 3.19Å; N88-E92 PolarHBondContact O-N 2.65Å; N88-Y108 HydrophobicContact CB-CE2 4.44Å; N88-F111 WeakPolarHBondContact OD1-CD1 3.24Å; N88-F111 VanDerWaalsContact OD1-CE1 3.29Å; N88-F111 WeakPolarHBondContact OD1-CE1 3.12Å; N88-Q115 PolarHBondContact ND2-NE2 3.24Å; N88-Q115 PolarHBondContact ND2-OE1 3.34Å; N88-Q115 PolarHBondContact OD1-NE2 2.96Å
89	N	86.8	Confident	81.7	Confident	71 Å²	71	50.3 Å²	50.3	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-69.6	-27.3	-179.6	-64.5	-12.6	0	0	0	112.7	E85 E86 R93	E85-N89 WeakPolarHBondContact O-CB 3.47Å; E85-N89 PolarHBondContact O-N 3.15Å; E85-N89 PolarHBondContact O-ND2 2.56Å; E85-N89 PolarHBondContact O-OD1 3.3Å; E86-N89 CarbonylContact O-C 3.4Å; E86-N89 PolarHBondContact O-N 2.81Å; N89-R93 WeakPolarHBondContact O-CG 3.43Å; N89-R93 PolarHBondContact O-N 2.92Å; N89-R93 PolarHBondContact O-NE 3.29Å
90	A	86.7	Confident	82.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.2	-40.4	167.2	0	0	0	0	0	111.8	W63 Y66 L67 E86 T87 N88 A94	W63-A90 WeakPolarHBondContact CZ3-O 3.27Å; Y66-A90 HydrophobicContact CE1-CB 4.5Å; L67-A90 HydrophobicContact CD2-CB 3.94Å; E86-A90 WeakPolarHBondContact O-CB 3.23Å; E86-A90 PolarHBondContact O-N 3.15Å; T87-A90 PolarHBondContact O-N 3.47Å; N88-A90 VanDerWaalsContact C-N 3.32Å; N88-A90 PolarHBondContact O-N 3.04Å; A90-A94 WeakPolarHBondContact O-CB 3.49Å; A90-A94 PolarHBondContact O-N 3.46Å
91	H	85.3	Confident	83.4	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-45.1	173.4	-96.8	-81.7	0	0	0	112.1	L67 R71 T87 N88 R93 A94 L95 Y108	L67-H91 HydrophobicContact CD2-CB 4.48Å; R71-H91 PolarHBondContact NH1-CE1 3.05Å; R71-H91 PolarHBondContact NH1-NE2 3.4Å; T87-H91 PolarHBondContact O-CD2 2.81Å; T87-H91 PolarHBondContact O-N 3.35Å; N88-H91 CarbonylContact O-C 3.58Å; N88-H91 WeakPolarHBondContact O-CA 3.31Å; N88-H91 WeakPolarHBondContact O-CB 3.47Å; N88-H91 PolarHBondContact O-N 3.46Å; H91-R93 PolarHBondContact O-N 3.32Å; H91-A94 WeakPolarHBondContact O-CB 3.35Å; H91-A94 PolarHBondContact O-N 2.77Å; H91-L95 VanDerWaalsContact O-CG 3.3Å; H91-L95 WeakPolarHBondContact O-CG 3.17Å; H91-L95 PolarHBondContact O-N 2.74Å; H91-Y108 HydrophobicContact CB-CD2 3.55Å; H91-Y108 HydrophobicContact CB-CE2 3.73Å; H91-Y108 HydrophobicContact CB-CG 4.01Å; H91-Y108 AromaticContact CG-CD2 3.58Å; H91-Y108 AromaticContact CG-CG 3.98Å; H91-Y108 WeakPolarHBondContact ND1-CB 3.15Å; H91-Y108 AromaticContact ND1-CD2 3.83Å; H91-Y108 AromaticContact ND1-CG 3.78Å
92	E	87.1	Confident	83.8	Confident	46 Å²	46	53 Å²	53	22%	0.215	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-45.7	176.5	-66.9	-63.7	166.4	0	0	111.8	N88 A94 L95 V96 Y108 R127	N88-E92 WeakPolarHBondContact O-CG 3.19Å; N88-E92 PolarHBondContact O-N 2.65Å; E92-A94 VanDerWaalsContact C-N 3.33Å; E92-A94 PolarHBondContact O-N 3.5Å; E92-L95 WeakPolarHBondContact O-CB 3.13Å; E92-L95 PolarHBondContact O-N 2.7Å; E92-L95 VanDerWaalsContact O-N 3.12Å; E92-V96 PolarHBondContact O-N 3.06Å; E92-V96 VanDerWaalsContact O-N 3.15Å; E92-Y108 WeakPolarHBondContact OE1-CE1 3.17Å; E92-Y108 PolarHBondContact OE1-OH 3.29Å; E92-R127 IonicContact OE1-CZ 3.31Å; E92-R127 IonicContact OE1-NH1 3.77Å; E92-R127 PolarHBondContact OE1-NH1 2.86Å; E92-R127 IonicContact OE1-NH2 2.72Å; E92-R127 PolarHBondContact OE1-NH2 3.41Å; E92-R127 IonicContact OE2-CZ 2.7Å; E92-R127 IonicContact OE2-NH1 3.16Å; E92-R127 PolarHBondContact OE2-NH1 2.86Å; E92-R127 IonicContact OE2-NH2 2.95Å; E92-R127 PolarHBondContact OE2-NH2 3.33Å
93	R	86.2	Confident	84	Confident	96 Å²	96	52.4 Å²	52.4	36%	0.362	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-35.1	175.7	-70	-179.4	-61.5	135	-4.7	113.3	E50 W63 N89 H91 L95 V96	E50-R93 VanDerWaalsContact CD-NH1 3.35Å; E50-R93 IonicContact OE1-CZ 3.65Å; E50-R93 IonicContact OE1-NH1 2.81Å; E50-R93 PolarHBondContact OE1-NH1 3.16Å; E50-R93 VanDerWaalsContact OE1-NH1 3.16Å; E50-R93 IonicContact OE1-NH2 3.71Å; E50-R93 PolarHBondContact OE1-NH2 3.38Å; E50-R93 IonicContact OE2-CZ 3.5Å; E50-R93 IonicContact OE2-NH1 2.74Å; E50-R93 PolarHBondContact OE2-NH1 2.97Å; E50-R93 IonicContact OE2-NH2 2.65Å; W63-R93 HydrophobicContact CH2-CB 3.78Å; N89-R93 WeakPolarHBondContact O-CG 3.43Å; N89-R93 PolarHBondContact O-N 2.92Å; N89-R93 PolarHBondContact O-NE 3.29Å; H91-R93 PolarHBondContact O-N 3.32Å; R93-L95 VanDerWaalsContact C-N 3.29Å; R93-L95 PolarHBondContact O-N 3.49Å; R93-V96 PolarHBondContact O-N 2.86Å
94	A	86.6	Confident	84.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-34.7	173.7	0	0	0	0	0	112.1	W63 L67 A90 H91 E92 T97 M98 I104	W63-A94 HydrophobicContact CD2-CB 3.87Å; W63-A94 HydrophobicContact CE3-CB 3.51Å; W63-A94 HydrophobicContact CH2-CB 4.03Å; W63-A94 HydrophobicContact CZ2-CB 4.33Å; W63-A94 HydrophobicContact CZ3-CB 3.62Å; L67-A94 HydrophobicContact CD1-CB 3.73Å; L67-A94 HydrophobicContact CD2-CB 4.45Å; A90-A94 WeakPolarHBondContact O-CB 3.49Å; A90-A94 PolarHBondContact O-N 3.46Å; H91-A94 WeakPolarHBondContact O-CB 3.35Å; H91-A94 PolarHBondContact O-N 2.77Å; E92-A94 VanDerWaalsContact C-N 3.33Å; E92-A94 PolarHBondContact O-N 3.5Å; A94-T97 PolarHBondContact O-N 2.85Å; A94-T97 PolarHBondContact O-OG1 3.03Å; A94-M98 HydrophobicContact CB-CE 3.71Å; A94-M98 WeakPolarHBondContact O-CE 3.3Å; A94-M98 PolarHBondContact O-N 3.47Å; A94-I104 HydrophobicContact CB-CG2 4.42Å
95	L	86	Confident	84.9	Confident	9 Å²	9	50.3 Å²	50.3	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-31.3	178.4	-69	171.5	0	0	0	112.3	H91 E92 R93 T97 H99 I104 W105 Y108	H91-L95 VanDerWaalsContact O-CG 3.3Å; H91-L95 WeakPolarHBondContact O-CG 3.17Å; H91-L95 PolarHBondContact O-N 2.74Å; E92-L95 WeakPolarHBondContact O-CB 3.13Å; E92-L95 PolarHBondContact O-N 2.7Å; E92-L95 VanDerWaalsContact O-N 3.12Å; R93-L95 VanDerWaalsContact C-N 3.29Å; R93-L95 PolarHBondContact O-N 3.49Å; L95-T97 PolarHBondContact O-N 3.44Å; L95-H99 WeakPolarHBondContact O-CA 3.44Å; L95-H99 VanDerWaalsContact O-CB 3.29Å; L95-H99 WeakPolarHBondContact O-CB 3.2Å; L95-H99 PolarHBondContact O-N 2.86Å; L95-I104 HydrophobicContact CD2-CG2 3.89Å; L95-I104 HydrophobicContact CG-CG2 4.44Å; L95-W105 HydrophobicContact CD1-CD2 4.4Å; L95-W105 HydrophobicContact CD1-CE3 3.99Å; L95-W105 HydrophobicContact CD1-CH2 3.71Å; L95-W105 HydrophobicContact CD1-CZ2 4.14Å; L95-W105 HydrophobicContact CD1-CZ3 3.64Å; L95-W105 HydrophobicContact CD2-CD2 3.68Å; L95-W105 VanDerWaalsContact CD2-CE2 3.46Å; L95-W105 HydrophobicContact CD2-CE3 4.13Å; L95-W105 HydrophobicContact CD2-CG 4.14Å; L95-W105 HydrophobicContact CD2-CH2 4.18Å; L95-W105 HydrophobicContact CD2-CZ2 3.74Å; L95-W105 HydrophobicContact CD2-CZ3 4.36Å; L95-W105 HydrophobicContact CG-CH2 4.42Å; L95-W105 HydrophobicContact CG-CZ2 4.37Å; L95-Y108 HydrophobicContact CD1-CD1 3.65Å; L95-Y108 HydrophobicContact CD1-CE1 3.86Å
96	V	85.8	Confident	85.1	Confident	118 Å²	118	46.1 Å²	46.1	72%	0.715	22%	0.221	S	C	*	.	H	α-helix	trans	-54.2	-39.3	172.9	175.8	0	0	0	0	111.7	E92 R93	E92-V96 PolarHBondContact O-N 3.06Å; E92-V96 VanDerWaalsContact O-N 3.15Å; R93-V96 PolarHBondContact O-N 2.86Å
97	T	81	Confident	85.3	Confident	58 Å²	58	43.1 Å²	43.1	36%	0.356	21%	0.208	S	C	.	.	H	α-helix	trans	-99.9	-21.9	-175.5	67.2	0	0	0	0	114.3	P57 A94 L95	P57-T97 HydrophobicContact CB-CG2 3.91Å; P57-T97 VanDerWaalsContact O-CB 3.3Å; P57-T97 WeakPolarHBondContact O-CB 3.44Å; P57-T97 PolarHBondContact O-OG1 3.29Å; A94-T97 PolarHBondContact O-N 2.85Å; A94-T97 PolarHBondContact O-OG1 3.03Å; L95-T97 PolarHBondContact O-N 3.44Å
98	M	80.9	Confident	85.4	Confident	11 Å²	11	43 Å²	43	5%	0.054	21%	0.207	C	C	.	.	H	α-helix	trans	-132.6	32.6	-174.9	-54	166.4	-70.4	0	0	113.7	Y60 W63 A94 K100 M101 I104	Y60-M98 HydrophobicContact CD2-SD 4.42Å; W63-M98 HydrophobicContact CB-CE 3.5Å; W63-M98 VanDerWaalsContact CB-CE 3.5Å; W63-M98 HydrophobicContact CB-SD 4.07Å; W63-M98 HydrophobicContact CD2-CE 3.75Å; W63-M98 HydrophobicContact CG-CE 3.23Å; W63-M98 HydrophobicContact CG-SD 4.05Å; A94-M98 HydrophobicContact CB-CE 3.71Å; A94-M98 WeakPolarHBondContact O-CE 3.3Å; A94-M98 PolarHBondContact O-N 3.47Å; M98-K100 PolarHBondContact O-N 3.41Å; M98-M101 HydrophobicContact CB-CB 4.47Å; M98-M101 HydrophobicContact CB-CG 4.24Å; M98-M101 PolarHBondContact O-N 3.16Å; M98-I104 HydrophobicContact CB-CD1 3.95Å; M98-I104 HydrophobicContact CE-CD1 3.41Å; M98-I104 VanDerWaalsContact CE-CD1 3.41Å; M98-I104 HydrophobicContact CG-CD1 4.47Å; M98-I104 HydrophobicContact SD-CD1 3.64Å
99	H	83.7	Confident	85.4	Confident	78 Å²	78	42.9 Å²	42.9	36%	0.361	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-23.9	177.5	72.1	93.1	0	0	0	114.4	L95 M101 W105 A131 L132	L95-H99 WeakPolarHBondContact O-CA 3.44Å; L95-H99 VanDerWaalsContact O-CB 3.29Å; L95-H99 WeakPolarHBondContact O-CB 3.2Å; L95-H99 PolarHBondContact O-N 2.86Å; H99-M101 VanDerWaalsContact C-N 3.32Å; H99-M101 PolarHBondContact O-N 2.89Å; H99-W105 PolarHBondContact O-NE1 2.94Å; H99-A131 HydrophobicContact CB-CB 4.1Å; H99-A131 PolarHBondContact ND1-O 2.89Å; H99-L132 WeakPolarHBondContact O-CD2 3.21Å
100	K	82.6	Confident	85.4	Confident	143 Å²	143	43.7 Å²	43.7	62%	0.622	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	0.7	178.4	-56.5	-172.6	-179.9	-178.8	0	115.4	M98 P102 L132	M98-K100 PolarHBondContact O-N 3.41Å; K100-P102 WeakPolarHBondContact O-CD 3.23Å; K100-L132 VanDerWaalsContact C-CD2 3.46Å
101	M	82.9	Confident	85.4	Confident	90 Å²	90	43.9 Å²	43.9	44%	0.443	21%	0.21	S	C	.	.			trans	-107.4	105.8	-172.2	-70.9	-69.4	171.5	0	0	113	Y60 M98 H99 R103 I104	Y60-M101 HydrophobicContact CD2-CG 4.39Å; M98-M101 HydrophobicContact CB-CB 4.47Å; M98-M101 HydrophobicContact CB-CG 4.24Å; M98-M101 PolarHBondContact O-N 3.16Å; H99-M101 VanDerWaalsContact C-N 3.32Å; H99-M101 PolarHBondContact O-N 2.89Å; M101-R103 VanDerWaalsContact C-N 3.29Å; M101-R103 PolarHBondContact O-N 3.31Å; M101-R103 VanDerWaalsContact O-N 3.15Å; M101-I104 HydrophobicContact CB-CD1 4.35Å; M101-I104 HydrophobicContact CB-CG1 4.4Å; M101-I104 PolarHBondContact O-N 3.01Å
102	P	82.7	Confident	85.4	Confident	18 Å²	18	43.8 Å²	43.8	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-55.3	-35.9	-176.1	-30.7	36	0	0	0	115.4	K100 I104 W105 I106 L132 Q136	K100-P102 WeakPolarHBondContact O-CD 3.23Å; P102-I104 VanDerWaalsContact C-N 3.28Å; P102-I104 PolarHBondContact O-N 3.2Å; P102-W105 PolarHBondContact O-N 3.33Å; P102-I106 HydrophobicContact CB-CD1 4.36Å; P102-I106 WeakPolarHBondContact O-CB 3.32Å; P102-I106 VanDerWaalsContact O-CG1 3.29Å; P102-I106 WeakPolarHBondContact O-CG1 3.12Å; P102-I106 PolarHBondContact O-N 3.31Å; P102-L132 HydrophobicContact CB-CD1 4.32Å; P102-L132 HydrophobicContact CG-CD1 4.29Å; P102-L132 HydrophobicContact CG-CD2 3.95Å; P102-Q136 HydrophobicContact CG-CB 4.06Å; P102-Q136 VanDerWaalsContact CG-CD 3.49Å; P102-Q136 HydrophobicContact CG-CG 4.15Å
103	R	84.5	Confident	85.2	Confident	117 Å²	117	43.3 Å²	43.3	44%	0.442	21%	0.208	S	C	.	.	H	α-helix	trans	-63.3	-34.8	-175.3	-169.2	69.5	-141.3	-162.3	5.9	112.4	Y64 M101 D107	Y64-R103 HydrophobicContact CE2-CG 4.08Å; M101-R103 VanDerWaalsContact C-N 3.29Å; M101-R103 PolarHBondContact O-N 3.31Å; M101-R103 VanDerWaalsContact O-N 3.15Å; R103-D107 IonicContact CZ-OD1 3.71Å; R103-D107 VanDerWaalsContact CZ-OD1 3.24Å; R103-D107 IonicContact NE-OD1 2.7Å; R103-D107 PolarHBondContact NE-OD1 2.74Å; R103-D107 IonicContact NE-OD2 3.39Å; R103-D107 IonicContact NH2-OD1 3.83Å; R103-D107 PolarHBondContact NH2-OD1 2.71Å; R103-D107 VanDerWaalsContact O-CB 3.29Å; R103-D107 WeakPolarHBondContact O-CB 3.24Å; R103-D107 PolarHBondContact O-N 2.94Å
104	I	84.9	Confident	85	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-70.7	-40.4	178.5	-57.7	-176.2	0	0	0	110.2	Y60 L67 A94 L95 M98 M101 P102 Y108	Y60-I104 HydrophobicContact CD2-CD1 3.96Å; Y60-I104 HydrophobicContact CD2-CG1 4.34Å; Y60-I104 HydrophobicContact CE2-CD1 4.06Å; Y60-I104 HydrophobicContact CE2-CG1 3.91Å; L67-I104 HydrophobicContact CD1-CG2 4.01Å; A94-I104 HydrophobicContact CB-CG2 4.42Å; L95-I104 HydrophobicContact CD2-CG2 3.89Å; L95-I104 HydrophobicContact CG-CG2 4.44Å; M98-I104 HydrophobicContact CB-CD1 3.95Å; M98-I104 HydrophobicContact CE-CD1 3.41Å; M98-I104 VanDerWaalsContact CE-CD1 3.41Å; M98-I104 HydrophobicContact CG-CD1 4.47Å; M98-I104 HydrophobicContact SD-CD1 3.64Å; M101-I104 HydrophobicContact CB-CD1 4.35Å; M101-I104 HydrophobicContact CB-CG1 4.4Å; M101-I104 PolarHBondContact O-N 3.01Å; P102-I104 VanDerWaalsContact C-N 3.28Å; P102-I104 PolarHBondContact O-N 3.2Å; I104-Y108 VanDerWaalsContact O-CB 3.26Å; I104-Y108 WeakPolarHBondContact O-CB 3.04Å; I104-Y108 PolarHBondContact O-N 3.46Å
105	W	89.7	Confident	84.6	Confident	8 Å²	8	42.9 Å²	42.9	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-51.1	172.4	-74.3	108.1	0	0	0	112.1	L95 H99 P102 D107 Y108 L109 R127 A128 A131 L132	L95-W105 HydrophobicContact CD1-CD2 4.4Å; L95-W105 HydrophobicContact CD1-CE3 3.99Å; L95-W105 HydrophobicContact CD1-CH2 3.71Å; L95-W105 HydrophobicContact CD1-CZ2 4.14Å; L95-W105 HydrophobicContact CD1-CZ3 3.64Å; L95-W105 HydrophobicContact CD2-CD2 3.68Å; L95-W105 VanDerWaalsContact CD2-CE2 3.46Å; L95-W105 HydrophobicContact CD2-CE3 4.13Å; L95-W105 HydrophobicContact CD2-CG 4.14Å; L95-W105 HydrophobicContact CD2-CH2 4.18Å; L95-W105 HydrophobicContact CD2-CZ2 3.74Å; L95-W105 HydrophobicContact CD2-CZ3 4.36Å; L95-W105 HydrophobicContact CG-CH2 4.42Å; L95-W105 HydrophobicContact CG-CZ2 4.37Å; H99-W105 PolarHBondContact O-NE1 2.94Å; P102-W105 PolarHBondContact O-N 3.33Å; W105-D107 VanDerWaalsContact C-N 3.33Å; W105-D107 PolarHBondContact O-N 2.89Å; W105-Y108 HydrophobicContact CE3-CD1 4.45Å; W105-Y108 HydrophobicContact CZ3-CD1 4.47Å; W105-Y108 PolarHBondContact O-N 2.94Å; W105-Y108 VanDerWaalsContact O-N 3.09Å; W105-L109 HydrophobicContact CB-CD1 4.44Å; W105-L109 WeakPolarHBondContact O-CB 3.28Å; W105-L109 WeakPolarHBondContact O-CG 3.4Å; W105-L109 PolarHBondContact O-N 2.93Å; W105-R127 HydrophobicContact CH2-CB 3.69Å; W105-R127 HydrophobicContact CZ3-CB 4.11Å; W105-A128 HydrophobicContact CB-CB 4.28Å; W105-A128 HydrophobicContact CD2-CB 3.62Å; W105-A128 HydrophobicContact CE3-CB 3.47Å; W105-A128 VanDerWaalsContact CE3-CB 3.47Å; W105-A128 HydrophobicContact CG-CB 4.02Å; W105-A128 HydrophobicContact CZ3-CB 3.99Å; W105-A131 HydrophobicContact CZ2-CB 3.5Å; W105-A131 VanDerWaalsContact CZ2-CB 3.5Å; W105-L132 HydrophobicContact CB-CD1 4.16Å; W105-L132 HydrophobicContact CG-CD1 3.97Å
106	I	88.1	Confident	84.1	Confident	26 Å²	26	44.6 Å²	44.6	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-53.2	-51	176.9	-72.2	167.7	0	0	0	110.5	P102 Y108 L109 M110 R139 L143	P102-I106 HydrophobicContact CB-CD1 4.36Å; P102-I106 WeakPolarHBondContact O-CB 3.32Å; P102-I106 VanDerWaalsContact O-CG1 3.29Å; P102-I106 WeakPolarHBondContact O-CG1 3.12Å; P102-I106 PolarHBondContact O-N 3.31Å; I106-Y108 VanDerWaalsContact C-N 3.32Å; I106-Y108 PolarHBondContact O-N 3.43Å; I106-L109 PolarHBondContact O-N 3.4Å; I106-M110 HydrophobicContact CG2-SD 4.07Å; I106-M110 WeakPolarHBondContact O-CB 3.38Å; I106-M110 VanDerWaalsContact O-CG 3.26Å; I106-M110 WeakPolarHBondContact O-CG 3.18Å; I106-M110 PolarHBondContact O-N 3.05Å; I106-R139 HydrophobicContact CD1-CB 4.09Å; I106-L143 HydrophobicContact CB-CD1 4.2Å; I106-L143 HydrophobicContact CG1-CD1 3.98Å; I106-L143 HydrophobicContact CG2-CD1 3.93Å
107	D	86.6	Confident	83.7	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.053	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-35.6	178.9	-73.2	-8.3	0	0	0	112.8	Y64 R71 R103 W105 F111	Y64-D107 WeakPolarHBondContact CE2-OD2 3.17Å; R71-D107 IonicContact CZ-OD2 3.46Å; R71-D107 IonicContact NH1-OD2 2.74Å; R71-D107 IonicContact NH2-OD1 3.91Å; R71-D107 IonicContact NH2-OD2 3.05Å; R71-D107 PolarHBondContact NH2-OD2 2.88Å; R103-D107 IonicContact CZ-OD1 3.71Å; R103-D107 VanDerWaalsContact CZ-OD1 3.24Å; R103-D107 IonicContact NE-OD1 2.7Å; R103-D107 PolarHBondContact NE-OD1 2.74Å; R103-D107 IonicContact NE-OD2 3.39Å; R103-D107 IonicContact NH2-OD1 3.83Å; R103-D107 PolarHBondContact NH2-OD1 2.71Å; R103-D107 VanDerWaalsContact O-CB 3.29Å; R103-D107 WeakPolarHBondContact O-CB 3.24Å; R103-D107 PolarHBondContact O-N 2.94Å; W105-D107 VanDerWaalsContact C-N 3.33Å; W105-D107 PolarHBondContact O-N 2.89Å; D107-F111 WeakPolarHBondContact O-CB 3.22Å; D107-F111 PolarHBondContact O-N 3.45Å
108	Y	88.3	Confident	83.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.6	-45.4	177.5	-173.9	-147	0	0	0	111.9	N88 H91 E92 L95 I104 W105 I106 F111 L112 A124	N88-Y108 HydrophobicContact CB-CE2 4.44Å; H91-Y108 HydrophobicContact CB-CD2 3.55Å; H91-Y108 HydrophobicContact CB-CE2 3.73Å; H91-Y108 HydrophobicContact CB-CG 4.01Å; H91-Y108 AromaticContact CG-CD2 3.58Å; H91-Y108 AromaticContact CG-CG 3.98Å; H91-Y108 WeakPolarHBondContact ND1-CB 3.15Å; H91-Y108 AromaticContact ND1-CD2 3.83Å; H91-Y108 AromaticContact ND1-CG 3.78Å; E92-Y108 WeakPolarHBondContact OE1-CE1 3.17Å; E92-Y108 PolarHBondContact OE1-OH 3.29Å; L95-Y108 HydrophobicContact CD1-CD1 3.65Å; L95-Y108 HydrophobicContact CD1-CE1 3.86Å; I104-Y108 VanDerWaalsContact O-CB 3.26Å; I104-Y108 WeakPolarHBondContact O-CB 3.04Å; I104-Y108 PolarHBondContact O-N 3.46Å; W105-Y108 HydrophobicContact CE3-CD1 4.45Å; W105-Y108 HydrophobicContact CZ3-CD1 4.47Å; W105-Y108 PolarHBondContact O-N 2.94Å; W105-Y108 VanDerWaalsContact O-N 3.09Å; I106-Y108 VanDerWaalsContact C-N 3.32Å; I106-Y108 PolarHBondContact O-N 3.43Å; Y108-F111 WeakPolarHBondContact O-CB 3.22Å; Y108-F111 PolarHBondContact O-N 3.36Å; Y108-F111 VanDerWaalsContact O-N 3.11Å; Y108-L112 HydrophobicContact CD1-CD1 4.22Å; Y108-L112 HydrophobicContact CD2-CD1 4.15Å; Y108-L112 HydrophobicContact CD2-CG 3.95Å; Y108-L112 HydrophobicContact CE1-CD1 3.88Å; Y108-L112 HydrophobicContact CE2-CD1 3.76Å; Y108-L112 HydrophobicContact CE2-CD2 3.78Å; Y108-L112 HydrophobicContact CE2-CG 3.63Å; Y108-L112 HydrophobicContact CG-CD1 4.37Å; Y108-L112 WeakPolarHBondContact O-CG 3.4Å; Y108-L112 PolarHBondContact O-N 3.27Å; Y108-A124 HydrophobicContact CD1-CB 4.48Å; Y108-A124 HydrophobicContact CE1-CB 4.21Å
109	L	87.5	Confident	83.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-45.1	179.5	-67.1	167.2	0	0	0	110.5	W105 I106 F111 L112 M113 A124 F125 A128 I140	W105-L109 HydrophobicContact CB-CD1 4.44Å; W105-L109 WeakPolarHBondContact O-CB 3.28Å; W105-L109 WeakPolarHBondContact O-CG 3.4Å; W105-L109 PolarHBondContact O-N 2.93Å; I106-L109 PolarHBondContact O-N 3.4Å; L109-F111 VanDerWaalsContact C-N 3.25Å; L109-F111 PolarHBondContact O-N 2.94Å; L109-L112 PolarHBondContact O-N 2.94Å; L109-M113 WeakPolarHBondContact O-CB 3.43Å; L109-M113 WeakPolarHBondContact O-CG 3.22Å; L109-M113 PolarHBondContact O-N 3.33Å; L109-A124 HydrophobicContact CD2-CB 3.68Å; L109-F125 HydrophobicContact CB-CE1 4.15Å; L109-F125 HydrophobicContact CB-CZ 4.24Å; L109-F125 HydrophobicContact CD1-CD1 3.73Å; L109-F125 HydrophobicContact CD1-CE1 3.78Å; L109-F125 HydrophobicContact CD2-CB 4.34Å; L109-F125 HydrophobicContact CD2-CD1 3.7Å; L109-F125 HydrophobicContact CD2-CD2 4.01Å; L109-F125 HydrophobicContact CD2-CE1 3.96Å; L109-F125 HydrophobicContact CD2-CE2 4.25Å; L109-F125 HydrophobicContact CD2-CG 3.72Å; L109-F125 HydrophobicContact CD2-CZ 4.22Å; L109-F125 HydrophobicContact CG-CD1 4.22Å; L109-F125 HydrophobicContact CG-CE1 4.17Å; L109-A128 HydrophobicContact CD1-CB 4.06Å; L109-I140 HydrophobicContact CD1-CG2 4.07Å
110	M	86.3	Confident	83.7	Confident	88 Å²	88	46.1 Å²	46.1	43%	0.433	24%	0.239	S	C	.	.	H	α-helix	trans	-60.3	-34	172.3	-70.6	-178.6	78.3	0	0	112.7	I106 S114 L143	I106-M110 HydrophobicContact CG2-SD 4.07Å; I106-M110 WeakPolarHBondContact O-CB 3.38Å; I106-M110 VanDerWaalsContact O-CG 3.26Å; I106-M110 WeakPolarHBondContact O-CG 3.18Å; I106-M110 PolarHBondContact O-N 3.05Å; M110-S114 PolarHBondContact O-N 3.26Å; M110-L143 HydrophobicContact CG-CD1 4.41Å; M110-L143 HydrophobicContact CG-CD2 4.27Å
111	F	86	Confident	83.8	Confident	3 Å²	3	39.4 Å²	39.4	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-72.5	-46.5	176.9	-176.8	-122.1	0	0	0	112	R71 S74 H84 T87 N88 D107 Y108 L109 M113 S114 Q115	R71-F111 HydrophobicContact CG-CD2 4.26Å; R71-F111 HydrophobicContact CG-CG 4.28Å; S74-F111 WeakPolarHBondContact OG-CE2 3.36Å; S74-F111 WeakPolarHBondContact OG-CZ 3.34Å; H84-F111 AromaticContact CE1-CE2 3.93Å; H84-F111 AromaticContact ND1-CE2 3.58Å; H84-F111 AromaticContact ND1-CZ 3.3Å; H84-F111 VanDerWaalsContact ND1-CZ 3.3Å; H84-F111 WeakPolarHBondContact ND1-CZ 3.22Å; T87-F111 WeakPolarHBondContact OG1-CE1 3.41Å; T87-F111 WeakPolarHBondContact OG1-CZ 3.43Å; N88-F111 WeakPolarHBondContact OD1-CD1 3.24Å; N88-F111 VanDerWaalsContact OD1-CE1 3.29Å; N88-F111 WeakPolarHBondContact OD1-CE1 3.12Å; D107-F111 WeakPolarHBondContact O-CB 3.22Å; D107-F111 PolarHBondContact O-N 3.45Å; Y108-F111 WeakPolarHBondContact O-CB 3.22Å; Y108-F111 PolarHBondContact O-N 3.36Å; Y108-F111 VanDerWaalsContact O-N 3.11Å; L109-F111 VanDerWaalsContact C-N 3.25Å; L109-F111 PolarHBondContact O-N 2.94Å; F111-M113 VanDerWaalsContact C-N 3.32Å; F111-M113 PolarHBondContact O-N 3.03Å; F111-S114 PolarHBondContact O-N 3.01Å; F111-S114 PolarHBondContact O-OG 3.18Å; F111-Q115 PolarHBondContact O-N 3.21Å
112	L	85.3	Confident	83.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-37.6	173.8	-68.1	176.2	0	0	0	112.2	Y108 L109 S114 Q115 G116 R120 T121 A124	Y108-L112 HydrophobicContact CD1-CD1 4.22Å; Y108-L112 HydrophobicContact CD2-CD1 4.15Å; Y108-L112 HydrophobicContact CD2-CG 3.95Å; Y108-L112 HydrophobicContact CE1-CD1 3.88Å; Y108-L112 HydrophobicContact CE2-CD1 3.76Å; Y108-L112 HydrophobicContact CE2-CD2 3.78Å; Y108-L112 HydrophobicContact CE2-CG 3.63Å; Y108-L112 HydrophobicContact CG-CD1 4.37Å; Y108-L112 WeakPolarHBondContact O-CG 3.4Å; Y108-L112 PolarHBondContact O-N 3.27Å; L109-L112 PolarHBondContact O-N 2.94Å; L112-S114 PolarHBondContact O-N 2.66Å; L112-Q115 PolarHBondContact O-N 3.18Å; L112-G116 PolarHBondContact O-N 2.87Å; L112-R120 HydrophobicContact CD1-CG 4.43Å; L112-R120 HydrophobicContact CD2-CG 4Å; L112-T121 VanDerWaalsContact C-CG2 3.41Å; L112-T121 HydrophobicContact CB-CG2 3.55Å; L112-T121 WeakPolarHBondContact O-CG2 3.36Å; L112-A124 HydrophobicContact CD1-CB 3.33Å
113	M	83	Confident	84.1	Confident	35 Å²	35	42.3 Å²	42.3	17%	0.172	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-33.1	172.7	-75.3	176.1	73.6	0	0	112.1	L109 F111 Q115 T121 F125 F147	L109-M113 WeakPolarHBondContact O-CB 3.43Å; L109-M113 WeakPolarHBondContact O-CG 3.22Å; L109-M113 PolarHBondContact O-N 3.33Å; F111-M113 VanDerWaalsContact C-N 3.32Å; F111-M113 PolarHBondContact O-N 3.03Å; M113-Q115 VanDerWaalsContact C-N 3.32Å; M113-T121 HydrophobicContact CG-CG2 4.35Å; M113-F125 HydrophobicContact CG-CZ 4.47Å; M113-F125 HydrophobicContact SD-CZ 4Å; M113-F147 HydrophobicContact CE-CB 3.83Å; M113-F147 HydrophobicContact CE-CD2 4.44Å; M113-F147 HydrophobicContact CG-CD2 4.02Å; M113-F147 HydrophobicContact SD-CB 4.26Å
114	S	82.4	Confident	84.3	Confident	66 Å²	66	36.7 Å²	36.7	46%	0.462	20%	0.197	S	C	.	.	H	α-helix	trans	-77.7	-13.1	174.2	68.7	0	0	0	0	114.5	M110 F111 L112	M110-S114 PolarHBondContact O-N 3.26Å; F111-S114 PolarHBondContact O-N 3.01Å; F111-S114 PolarHBondContact O-OG 3.18Å; L112-S114 PolarHBondContact O-N 2.66Å
115	Q	79.4	Confident	84.5	Confident	22 Å²	22	36.7 Å²	36.7	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-90.4	-9.8	174.9	-67.6	177.2	-7	0	0	113.4	H84 N88 F111 L112 M113 L117	H84-Q115 PolarHBondContact ND1-NE2 2.96Å; N88-Q115 PolarHBondContact ND2-NE2 3.24Å; N88-Q115 PolarHBondContact ND2-OE1 3.34Å; N88-Q115 PolarHBondContact OD1-NE2 2.96Å; F111-Q115 PolarHBondContact O-N 3.21Å; L112-Q115 PolarHBondContact O-N 3.18Å; M113-Q115 VanDerWaalsContact C-N 3.32Å; Q115-L117 HydrophobicContact CB-CD1 4.31Å; Q115-L117 HydrophobicContact CB-CG 4.19Å; Q115-L117 PolarHBondContact O-N 3.42Å; Q115-L117 VanDerWaalsContact O-N 3.16Å
116	G	74.1	Confident	84.3	Confident	44 Å²	44	37.6 Å²	37.6	45%	0.454	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	6.4	-179.8	0	0	0	0	0	115.5	L112 I118	L112-G116 PolarHBondContact O-N 2.87Å; G116-I118 VanDerWaalsContact C-N 3.33Å; G116-I118 WeakPolarHBondContact O-CG1 3.43Å; G116-I118 PolarHBondContact O-N 2.86Å
117	L	78.3	Confident	84.4	Confident	79 Å²	79	40.9 Å²	40.9	41%	0.414	21%	0.213	S	C	.	.			trans	-79.1	75.1	-176.3	-65.1	176.8	0	0	0	111.9	Q115 T119 R120 T121	Q115-L117 HydrophobicContact CB-CD1 4.31Å; Q115-L117 HydrophobicContact CB-CG 4.19Å; Q115-L117 PolarHBondContact O-N 3.42Å; Q115-L117 VanDerWaalsContact O-N 3.16Å; L117-T119 VanDerWaalsContact C-N 3.28Å; L117-T119 PolarHBondContact O-N 2.98Å; L117-T119 VanDerWaalsContact O-N 3.12Å; L117-R120 HydrophobicContact CB-CB 3.84Å; L117-R120 CarbonylContact O-C 3.47Å; L117-R120 WeakPolarHBondContact O-CA 3.39Å; L117-R120 PolarHBondContact O-N 3.21Å; L117-T121 PolarHBondContact O-N 3.33Å; L117-T121 PolarHBondContact O-OG1 3.12Å
118	I	78.6	Confident	84.5	Confident	49 Å²	49	40.4 Å²	40.4	25%	0.251	21%	0.21	S	C	.	.	H	α-helix	trans	-49	-40.7	-172.5	-56.7	-178.9	0	0	0	113.9	G116 T121 R122 F147 I155	G116-I118 VanDerWaalsContact C-N 3.33Å; G116-I118 WeakPolarHBondContact O-CG1 3.43Å; G116-I118 PolarHBondContact O-N 2.86Å; I118-T121 WeakPolarHBondContact CA-OG1 3.34Å; I118-T121 PolarHBondContact O-OG1 3.41Å; I118-R122 WeakPolarHBondContact O-CB 3.41Å; I118-R122 PolarHBondContact O-N 3.46Å; I118-R122 VanDerWaalsContact O-N 3.14Å; I118-F147 HydrophobicContact CB-CZ 4.48Å; I118-F147 HydrophobicContact CG2-CZ 3.95Å; I118-I155 HydrophobicContact CD1-CD1 3.8Å; I118-I155 HydrophobicContact CG2-CD1 3.74Å
119	T	82.7	Confident	84.3	Confident	98 Å²	98	41.6 Å²	41.6	60%	0.601	22%	0.217	S	C	*	.	H	α-helix	trans	-70.3	-44.6	177.3	51.5	0	0	0	0	111.4	L117 R122 H123	L117-T119 VanDerWaalsContact C-N 3.28Å; L117-T119 PolarHBondContact O-N 2.98Å; L117-T119 VanDerWaalsContact O-N 3.12Å; T119-R122 PolarHBondContact O-N 3.05Å; T119-H123 WeakPolarHBondContact O-CB 3.16Å; T119-H123 PolarHBondContact O-CD2 2.9Å; T119-H123 PolarHBondContact O-N 2.97Å
120	R	83.8	Confident	84.3	Confident	72 Å²	72	50.4 Å²	50.4	27%	0.272	26%	0.255	S	S	.	.	H	α-helix	trans	-66.9	-39.6	179.2	-165.3	175.5	-174.1	147.9	8.2	111.9	L112 L117 A124	L112-R120 HydrophobicContact CD1-CG 4.43Å; L112-R120 HydrophobicContact CD2-CG 4Å; L117-R120 HydrophobicContact CB-CB 3.84Å; L117-R120 CarbonylContact O-C 3.47Å; L117-R120 WeakPolarHBondContact O-CA 3.39Å; L117-R120 PolarHBondContact O-N 3.21Å; R120-A124 WeakPolarHBondContact O-CB 3.29Å; R120-A124 PolarHBondContact O-N 3.47Å
121	T	84.8	Confident	84.3	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-52.5	171.8	51.6	0	0	0	0	110.4	L112 M113 L117 I118 H123 A124 F125 F147	L112-T121 VanDerWaalsContact C-CG2 3.41Å; L112-T121 HydrophobicContact CB-CG2 3.55Å; L112-T121 WeakPolarHBondContact O-CG2 3.36Å; M113-T121 HydrophobicContact CG-CG2 4.35Å; L117-T121 PolarHBondContact O-N 3.33Å; L117-T121 PolarHBondContact O-OG1 3.12Å; I118-T121 WeakPolarHBondContact CA-OG1 3.34Å; I118-T121 PolarHBondContact O-OG1 3.41Å; T121-H123 VanDerWaalsContact C-N 3.34Å; T121-H123 PolarHBondContact O-N 3.3Å; T121-A124 CarbonylContact O-C 3.59Å; T121-A124 WeakPolarHBondContact O-CA 3.2Å; T121-A124 WeakPolarHBondContact O-CB 3.43Å; T121-A124 PolarHBondContact O-N 3.07Å; T121-F125 WeakPolarHBondContact O-CD2 3.35Å; T121-F125 PolarHBondContact O-N 3.01Å; T121-F147 HydrophobicContact CG2-CE2 4.05Å; T121-F147 WeakPolarHBondContact OG1-CE2 3.42Å; T121-F147 WeakPolarHBondContact OG1-CZ 3.4Å
122	R	85.7	Confident	84.2	Confident	66 Å²	66	47.6 Å²	47.6	25%	0.249	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-44	179.7	-164.2	-171	59.3	64.2	1.2	112.1	I118 T119 A124 F125 D126 Y144	I118-R122 WeakPolarHBondContact O-CB 3.41Å; I118-R122 PolarHBondContact O-N 3.46Å; I118-R122 VanDerWaalsContact O-N 3.14Å; T119-R122 PolarHBondContact O-N 3.05Å; R122-A124 VanDerWaalsContact C-N 3.28Å; R122-A124 PolarHBondContact O-N 3.02Å; R122-F125 PolarHBondContact O-N 3.35Å; R122-D126 IonicContact NH1-OD2 3.39Å; R122-D126 PolarHBondContact NH1-OD2 2.95Å; R122-D126 WeakPolarHBondContact O-CB 3.34Å; R122-D126 PolarHBondContact O-N 3.29Å; R122-Y144 VanDerWaalsContact CG-OH 3.3Å; R122-Y144 WeakPolarHBondContact CG-OH 3.29Å
123	H	87.1	Confident	84.1	Confident	103 Å²	103	50.9 Å²	50.9	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-70.2	-19.2	174.9	-78.6	-73.9	0	0	0	114	T119 T121 R127	T119-H123 WeakPolarHBondContact O-CB 3.16Å; T119-H123 PolarHBondContact O-CD2 2.9Å; T119-H123 PolarHBondContact O-N 2.97Å; T121-H123 VanDerWaalsContact C-N 3.34Å; T121-H123 PolarHBondContact O-N 3.3Å; H123-R127 VanDerWaalsContact O-CG 3.26Å; H123-R127 WeakPolarHBondContact O-CG 3.45Å; H123-R127 PolarHBondContact O-N 3.46Å; H123-R127 PolarHBondContact O-NE 3.45Å
124	A	88.9	Confident	84	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-82.2	-41.6	169.7	0	0	0	0	0	111.9	Y108 L109 L112 R120 T121 R122 R127 A128	Y108-A124 HydrophobicContact CD1-CB 4.48Å; Y108-A124 HydrophobicContact CE1-CB 4.21Å; L109-A124 HydrophobicContact CD2-CB 3.68Å; L112-A124 HydrophobicContact CD1-CB 3.33Å; R120-A124 WeakPolarHBondContact O-CB 3.29Å; R120-A124 PolarHBondContact O-N 3.47Å; T121-A124 CarbonylContact O-C 3.59Å; T121-A124 WeakPolarHBondContact O-CA 3.2Å; T121-A124 WeakPolarHBondContact O-CB 3.43Å; T121-A124 PolarHBondContact O-N 3.07Å; R122-A124 VanDerWaalsContact C-N 3.28Å; R122-A124 PolarHBondContact O-N 3.02Å; A124-R127 PolarHBondContact O-N 3.31Å; A124-A128 WeakPolarHBondContact O-CB 3.44Å; A124-A128 PolarHBondContact O-N 3.2Å
125	F	87.8	Confident	84	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-48	173	-78.2	-70.8	0	0	0	111.2	L109 M113 T121 R122 R127 A128 L129 I140 L143 Y144 F147	L109-F125 HydrophobicContact CB-CE1 4.15Å; L109-F125 HydrophobicContact CB-CZ 4.24Å; L109-F125 HydrophobicContact CD1-CD1 3.73Å; L109-F125 HydrophobicContact CD1-CE1 3.78Å; L109-F125 HydrophobicContact CD2-CB 4.34Å; L109-F125 HydrophobicContact CD2-CD1 3.7Å; L109-F125 HydrophobicContact CD2-CD2 4.01Å; L109-F125 HydrophobicContact CD2-CE1 3.96Å; L109-F125 HydrophobicContact CD2-CE2 4.25Å; L109-F125 HydrophobicContact CD2-CG 3.72Å; L109-F125 HydrophobicContact CD2-CZ 4.22Å; L109-F125 HydrophobicContact CG-CD1 4.22Å; L109-F125 HydrophobicContact CG-CE1 4.17Å; M113-F125 HydrophobicContact CG-CZ 4.47Å; M113-F125 HydrophobicContact SD-CZ 4Å; T121-F125 WeakPolarHBondContact O-CD2 3.35Å; T121-F125 PolarHBondContact O-N 3.01Å; R122-F125 PolarHBondContact O-N 3.35Å; F125-R127 PolarHBondContact O-N 3.21Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 3.41Å; F125-A128 VanDerWaalsContact O-N 3.11Å; F125-L129 PolarHBondContact O-N 3.45Å; F125-I140 HydrophobicContact CD1-CG2 3.84Å; F125-I140 HydrophobicContact CE1-CG2 4.38Å; F125-L143 HydrophobicContact CE1-CB 4.07Å; F125-L143 HydrophobicContact CZ-CB 4.4Å; F125-Y144 HydrophobicContact CB-CD1 4.02Å; F125-Y144 HydrophobicContact CB-CD2 3.92Å; F125-Y144 HydrophobicContact CB-CE1 3.69Å; F125-Y144 HydrophobicContact CB-CE2 3.58Å; F125-Y144 HydrophobicContact CB-CG 4.11Å; F125-Y144 VanDerWaalsContact CB-CZ 3.42Å; F125-Y144 HydrophobicContact CD1-CD1 4.16Å; F125-Y144 AromaticContact CD1-CD2 3.76Å; F125-Y144 HydrophobicContact CD1-CD2 3.76Å; F125-Y144 HydrophobicContact CD1-CE2 4.31Å; F125-Y144 AromaticContact CD1-CG 3.65Å; F125-Y144 HydrophobicContact CD1-CG 3.65Å; F125-Y144 AromaticContact CD2-CD2 3.42Å; F125-Y144 HydrophobicContact CD2-CD2 3.42Å; F125-Y144 VanDerWaalsContact CD2-CD2 3.42Å; F125-Y144 AromaticContact CD2-CE2 3.46Å; F125-Y144 HydrophobicContact CD2-CE2 3.46Å; F125-Y144 VanDerWaalsContact CD2-CE2 3.46Å; F125-Y144 HydrophobicContact CD2-CG 4.18Å; F125-Y144 HydrophobicContact CE1-CD2 4.06Å; F125-Y144 HydrophobicContact CE1-CG 4.02Å; F125-Y144 AromaticContact CE2-CD2 3.76Å; F125-Y144 HydrophobicContact CE2-CD2 3.76Å; F125-Y144 HydrophobicContact CE2-CE2 4.18Å; F125-Y144 HydrophobicContact CG-CD1 4.16Å; F125-Y144 AromaticContact CG-CD2 3.44Å; F125-Y144 HydrophobicContact CG-CD2 3.44Å; F125-Y144 VanDerWaalsContact CG-CD2 3.44Å; F125-Y144 HydrophobicContact CG-CE1 4.26Å; F125-Y144 AromaticContact CG-CE2 3.55Å; F125-Y144 HydrophobicContact CG-CE2 3.55Å; F125-Y144 AromaticContact CG-CG 3.75Å; F125-Y144 HydrophobicContact CG-CG 3.75Å; F125-Y144 AromaticContact CG-CZ 3.94Å; F125-Y144 HydrophobicContact CZ-CD2 4.07Å; F125-Y144 HydrophobicContact CZ-CG 4.45Å; F125-F147 HydrophobicContact CE2-CB 3.99Å; F125-F147 HydrophobicContact CE2-CD1 4.09Å; F125-F147 HydrophobicContact CE2-CD2 4.28Å; F125-F147 AromaticContact CE2-CG 3.86Å; F125-F147 HydrophobicContact CE2-CG 3.86Å; F125-F147 HydrophobicContact CZ-CB 4.09Å; F125-F147 HydrophobicContact CZ-CG 4.46Å
126	D	86.8	Confident	84.1	Confident	28 Å²	28	58.5 Å²	58.5	15%	0.15	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-21.2	177.6	-74.8	10	0	0	0	113	R122 K130 Y144 R165	R122-D126 IonicContact NH1-OD2 3.39Å; R122-D126 PolarHBondContact NH1-OD2 2.95Å; R122-D126 WeakPolarHBondContact O-CB 3.34Å; R122-D126 PolarHBondContact O-N 3.29Å; D126-K130 WeakPolarHBondContact O-CD 3.35Å; D126-K130 VanDerWaalsContact O-CG 3.32Å; D126-K130 WeakPolarHBondContact O-CG 3.25Å; D126-Y144 PolarHBondContact OD1-OH 2.78Å; D126-R165 IonicContact OD1-NH1 2.74Å; D126-R165 PolarHBondContact OD1-NH1 3.26Å; D126-R165 IonicContact OD2-CZ 2.86Å; D126-R165 IonicContact OD2-NH1 3.25Å; D126-R165 PolarHBondContact OD2-NH1 3.2Å; D126-R165 IonicContact OD2-NH2 3.95Å
127	R	88.3	Confident	84.6	Confident	94 Å²	94	57.7 Å²	57.7	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-87.5	-36	170.6	-74.5	-175.9	-61.3	146.7	0.1	112.7	E92 W105 H123 A124 F125 K130 A131	E92-R127 IonicContact OE1-CZ 3.31Å; E92-R127 IonicContact OE1-NH1 3.77Å; E92-R127 PolarHBondContact OE1-NH1 2.86Å; E92-R127 IonicContact OE1-NH2 2.72Å; E92-R127 PolarHBondContact OE1-NH2 3.41Å; E92-R127 IonicContact OE2-CZ 2.7Å; E92-R127 IonicContact OE2-NH1 3.16Å; E92-R127 PolarHBondContact OE2-NH1 2.86Å; E92-R127 IonicContact OE2-NH2 2.95Å; E92-R127 PolarHBondContact OE2-NH2 3.33Å; W105-R127 HydrophobicContact CH2-CB 3.69Å; W105-R127 HydrophobicContact CZ3-CB 4.11Å; H123-R127 VanDerWaalsContact O-CG 3.26Å; H123-R127 WeakPolarHBondContact O-CG 3.45Å; H123-R127 PolarHBondContact O-N 3.46Å; H123-R127 PolarHBondContact O-NE 3.45Å; A124-R127 PolarHBondContact O-N 3.31Å; F125-R127 PolarHBondContact O-N 3.21Å; R127-K130 PolarHBondContact O-N 3.36Å; R127-A131 VanDerWaalsContact O-CB 3.23Å; R127-A131 WeakPolarHBondContact O-CB 3.25Å; R127-A131 PolarHBondContact O-N 2.89Å
128	A	88.8	Confident	84.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-47.2	175.6	0	0	0	0	0	111.3	W105 L109 A124 F125 K130 A131 L132 I140	W105-A128 HydrophobicContact CB-CB 4.28Å; W105-A128 HydrophobicContact CD2-CB 3.62Å; W105-A128 HydrophobicContact CE3-CB 3.47Å; W105-A128 VanDerWaalsContact CE3-CB 3.47Å; W105-A128 HydrophobicContact CG-CB 4.02Å; W105-A128 HydrophobicContact CZ3-CB 3.99Å; L109-A128 HydrophobicContact CD1-CB 4.06Å; A124-A128 WeakPolarHBondContact O-CB 3.44Å; A124-A128 PolarHBondContact O-N 3.2Å; F125-A128 WeakPolarHBondContact O-CB 3.49Å; F125-A128 PolarHBondContact O-N 3.41Å; F125-A128 VanDerWaalsContact O-N 3.11Å; A128-K130 VanDerWaalsContact C-N 3.28Å; A128-K130 PolarHBondContact O-N 2.84Å; A128-A131 PolarHBondContact O-N 3.27Å; A128-A131 VanDerWaalsContact O-N 3.11Å; A128-L132 WeakPolarHBondContact O-CB 3.5Å; A128-L132 PolarHBondContact O-N 2.94Å; A128-L132 VanDerWaalsContact O-N 3.09Å; A128-I140 HydrophobicContact CB-CD1 4.17Å; A128-I140 HydrophobicContact CB-CG2 4.23Å
129	L	85.5	Confident	84.8	Confident	26 Å²	26	62.8 Å²	62.8	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-31.3	176.6	-69.4	164.2	0	0	0	112.6	F125 H137 I140 W141 Y144	F125-L129 PolarHBondContact O-N 3.45Å; L129-H137 HydrophobicContact CD2-CB 4.04Å; L129-H137 PolarHBondContact O-CE1 2.86Å; L129-H137 PolarHBondContact O-NE2 2.87Å; L129-I140 HydrophobicContact CD2-CB 4.29Å; L129-I140 HydrophobicContact CD2-CD1 3.98Å; L129-I140 HydrophobicContact CD2-CG2 4.24Å; L129-I140 HydrophobicContact CG-CD1 4.39Å; L129-I140 HydrophobicContact CG-CG2 4.24Å; L129-W141 HydrophobicContact CD1-CH2 4.11Å; L129-W141 HydrophobicContact CD1-CZ2 4.02Å; L129-W141 HydrophobicContact CD2-CZ2 4.14Å; L129-Y144 HydrophobicContact CD1-CD1 4.16Å; L129-Y144 HydrophobicContact CD1-CE1 3.99Å
130	K	86.2	Confident	85	Confident	185 Å²	185	58.2 Å²	58.2	80%	0.804	28%	0.276	S	S	*	.	H	α-helix	trans	-77.9	-25.5	173.5	-74.6	179.9	178.1	-169.8	0	113.9	D126 R127 A128	D126-K130 WeakPolarHBondContact O-CD 3.35Å; D126-K130 VanDerWaalsContact O-CG 3.32Å; D126-K130 WeakPolarHBondContact O-CG 3.25Å; R127-K130 PolarHBondContact O-N 3.36Å; A128-K130 VanDerWaalsContact C-N 3.28Å; A128-K130 PolarHBondContact O-N 2.84Å
131	A	86.4	Confident	85	Confident	22 Å²	22	55.2 Å²	55.2	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-93.9	-21.4	-172	0	0	0	0	0	114.2	H99 W105 R127 A128	H99-A131 HydrophobicContact CB-CB 4.1Å; H99-A131 PolarHBondContact ND1-O 2.89Å; W105-A131 HydrophobicContact CZ2-CB 3.5Å; W105-A131 VanDerWaalsContact CZ2-CB 3.5Å; R127-A131 VanDerWaalsContact O-CB 3.23Å; R127-A131 WeakPolarHBondContact O-CB 3.25Å; R127-A131 PolarHBondContact O-N 2.89Å; A128-A131 PolarHBondContact O-N 3.27Å; A128-A131 VanDerWaalsContact O-N 3.11Å
132	L	84.5	Confident	84.9	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.052	28%	0.284	C	S	.	.	S	Bend	trans	-110.8	145.3	-173.5	-66.4	173.2	0	0	0	111.8	H99 K100 P102 W105 A128 H137 I140	H99-L132 WeakPolarHBondContact O-CD2 3.21Å; K100-L132 VanDerWaalsContact C-CD2 3.46Å; P102-L132 HydrophobicContact CB-CD1 4.32Å; P102-L132 HydrophobicContact CG-CD1 4.29Å; P102-L132 HydrophobicContact CG-CD2 3.95Å; W105-L132 HydrophobicContact CB-CD1 4.16Å; W105-L132 HydrophobicContact CG-CD1 3.97Å; A128-L132 WeakPolarHBondContact O-CB 3.5Å; A128-L132 PolarHBondContact O-N 2.94Å; A128-L132 VanDerWaalsContact O-N 3.09Å; L132-H137 PolarHBondContact O-NE2 3.22Å; L132-I140 HydrophobicContact CB-CD1 4.28Å; L132-I140 HydrophobicContact CD1-CD1 3.57Å; L132-I140 HydrophobicContact CD1-CG1 4.17Å; L132-I140 HydrophobicContact CG-CD1 4.49Å
133	P	83.4	Confident	84.8	Confident	68 Å²	68	56.8 Å²	56.8	44%	0.442	28%	0.278	S	S	.	.			trans	-58.2	151.9	172.3	-23.7	34	0	0	0	113.1	T135 Q136 H137	P133-T135 PolarHBondContact O-N 3.18Å; P133-Q136 WeakPolarHBondContact O-CB 3.45Å; P133-Q136 PolarHBondContact O-N 3.27Å; P133-H137 PolarHBondContact O-CD2 3.43Å
134	I	80.3	Confident	84.6	Confident	117 Å²	117	51.9 Å²	51.9	60%	0.6	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-56.4	-36	-176.7	-159.1	161.8	0	0	0	112.8	Q136 H137 F169	I134-Q136 PolarHBondContact O-N 3.06Å; I134-H137 WeakPolarHBondContact O-CB 3.36Å; I134-H137 PolarHBondContact O-N 3.09Å; I134-F169 HydrophobicContact CG1-CD2 4.05Å; I134-F169 HydrophobicContact CG1-CE2 3.64Å
135	T	83	Confident	84.2	Confident	111 Å²	111	51.9 Å²	51.9	68%	0.681	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-66.1	2.1	174.8	57.2	0	0	0	0	115.3	P133	P133-T135 PolarHBondContact O-N 3.18Å
136	Q	81.1	Confident	83.9	Confident	56 Å²	56	59.1 Å²	59.1	26%	0.262	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-123.4	-0.8	177.5	-59.9	179.3	-10.4	0	0	111.7	P102 P133 I134 D138	P102-Q136 HydrophobicContact CG-CB 4.06Å; P102-Q136 VanDerWaalsContact CG-CD 3.49Å; P102-Q136 HydrophobicContact CG-CG 4.15Å; P133-Q136 WeakPolarHBondContact O-CB 3.45Å; P133-Q136 PolarHBondContact O-N 3.27Å; I134-Q136 PolarHBondContact O-N 3.06Å; Q136-D138 PolarHBondContact O-N 3.32Å
137	H	84.5	Confident	83.6	Confident	26 Å²	26	58 Å²	58	12%	0.12	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-30.7	-178.5	-73.8	-161.6	0	0	0	112	L129 L132 P133 I134 R139 I140 W141 F169	L129-H137 HydrophobicContact CD2-CB 4.04Å; L129-H137 PolarHBondContact O-CE1 2.86Å; L129-H137 PolarHBondContact O-NE2 2.87Å; L132-H137 PolarHBondContact O-NE2 3.22Å; P133-H137 PolarHBondContact O-CD2 3.43Å; I134-H137 WeakPolarHBondContact O-CB 3.36Å; I134-H137 PolarHBondContact O-N 3.09Å; H137-R139 PolarHBondContact O-N 2.92Å; H137-R139 VanDerWaalsContact O-N 3.14Å; H137-I140 CarbonylContact O-C 3.42Å; H137-I140 WeakPolarHBondContact O-CA 3.44Å; H137-I140 VanDerWaalsContact O-CB 3.32Å; H137-I140 WeakPolarHBondContact O-CB 3.2Å; H137-I140 PolarHBondContact O-N 2.88Å; H137-W141 VanDerWaalsContact O-CD1 3.27Å; H137-W141 PolarHBondContact O-N 2.92Å; H137-F169 HydrophobicContact CB-CD2 4.16Å; H137-F169 HydrophobicContact CB-CE2 3.49Å; H137-F169 VanDerWaalsContact CB-CE2 3.49Å; H137-F169 HydrophobicContact CB-CZ 3.73Å
138	D	81	Confident	83.1	Confident	74 Å²	74	53.5 Å²	53.5	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-52.6	-40	177.8	-42	-60	0	0	0	112.6	Q136 I140 W141 N142 F169	Q136-D138 PolarHBondContact O-N 3.32Å; D138-I140 PolarHBondContact O-N 3.44Å; D138-W141 PolarHBondContact O-N 3.02Å; D138-N142 WeakPolarHBondContact O-CB 3.43Å; D138-N142 PolarHBondContact O-N 2.95Å; D138-N142 PolarHBondContact O-ND2 3.44Å; D138-F169 VanDerWaalsContact OD1-CE1 3.3Å; D138-F169 WeakPolarHBondContact OD1-CE1 3.35Å; D138-F169 VanDerWaalsContact OD1-CZ 3.25Å; D138-F169 WeakPolarHBondContact OD1-CZ 3.43Å
139	R	81.1	Confident	82.4	Confident	162 Å²	162	56.2 Å²	56.2	61%	0.611	27%	0.274	S	S	*	.	H	α-helix	trans	-71.9	-22	-179.4	-58.1	-178.5	-177.7	-172	-0.8	112.3	I106 H137	I106-R139 HydrophobicContact CD1-CB 4.09Å; H137-R139 PolarHBondContact O-N 2.92Å; H137-R139 VanDerWaalsContact O-N 3.14Å
140	I	85.8	Confident	81.9	Confident	2 Å²	2	64 Å²	64	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-86.5	-48.1	173.9	-46.7	169.3	0	0	0	109.2	L109 F125 A128 L129 L132 H137 D138 N142 L143 Y144	L109-I140 HydrophobicContact CD1-CG2 4.07Å; F125-I140 HydrophobicContact CD1-CG2 3.84Å; F125-I140 HydrophobicContact CE1-CG2 4.38Å; A128-I140 HydrophobicContact CB-CD1 4.17Å; A128-I140 HydrophobicContact CB-CG2 4.23Å; L129-I140 HydrophobicContact CD2-CB 4.29Å; L129-I140 HydrophobicContact CD2-CD1 3.98Å; L129-I140 HydrophobicContact CD2-CG2 4.24Å; L129-I140 HydrophobicContact CG-CD1 4.39Å; L129-I140 HydrophobicContact CG-CG2 4.24Å; L132-I140 HydrophobicContact CB-CD1 4.28Å; L132-I140 HydrophobicContact CD1-CD1 3.57Å; L132-I140 HydrophobicContact CD1-CG1 4.17Å; L132-I140 HydrophobicContact CG-CD1 4.49Å; H137-I140 CarbonylContact O-C 3.42Å; H137-I140 WeakPolarHBondContact O-CA 3.44Å; H137-I140 VanDerWaalsContact O-CB 3.32Å; H137-I140 WeakPolarHBondContact O-CB 3.2Å; H137-I140 PolarHBondContact O-N 2.88Å; D138-I140 PolarHBondContact O-N 3.44Å; I140-N142 PolarHBondContact O-N 3.36Å; I140-L143 CarbonylContact O-C 3.34Å; I140-L143 WeakPolarHBondContact O-CA 3.43Å; I140-L143 WeakPolarHBondContact O-CB 3.46Å; I140-L143 PolarHBondContact O-N 2.88Å; I140-Y144 WeakPolarHBondContact O-CB 3.45Å; I140-Y144 PolarHBondContact O-N 3.34Å
141	W	85.1	Confident	81.1	Confident	9 Å²	9	57.4 Å²	57.4	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-43.7	178.5	-74.6	126.1	0	0	0	112.1	L129 H137 D138 L143 Y144 L145 I162 R165 Y166 F169	L129-W141 HydrophobicContact CD1-CH2 4.11Å; L129-W141 HydrophobicContact CD1-CZ2 4.02Å; L129-W141 HydrophobicContact CD2-CZ2 4.14Å; H137-W141 VanDerWaalsContact O-CD1 3.27Å; H137-W141 PolarHBondContact O-N 2.92Å; D138-W141 PolarHBondContact O-N 3.02Å; W141-L143 PolarHBondContact O-N 2.95Å; W141-L143 VanDerWaalsContact O-N 3.11Å; W141-Y144 AromaticContact CE3-CD1 3.82Å; W141-Y144 HydrophobicContact CE3-CD1 3.82Å; W141-Y144 HydrophobicContact CE3-CG 4.46Å; W141-Y144 HydrophobicContact CH2-CD1 4.3Å; W141-Y144 AromaticContact CZ3-CD1 3.54Å; W141-Y144 HydrophobicContact CZ3-CD1 3.54Å; W141-Y144 HydrophobicContact CZ3-CE1 4.12Å; W141-Y144 HydrophobicContact CZ3-CG 4.46Å; W141-Y144 PolarHBondContact O-N 3.27Å; W141-L145 WeakPolarHBondContact O-CB 3.36Å; W141-L145 VanDerWaalsContact O-CG 3.25Å; W141-L145 WeakPolarHBondContact O-CG 3.45Å; W141-L145 PolarHBondContact O-N 2.9Å; W141-I162 HydrophobicContact CZ3-CG2 4.13Å; W141-R165 HydrophobicContact CH2-CB 3.74Å; W141-Y166 HydrophobicContact CB-CD2 3.92Å; W141-Y166 HydrophobicContact CB-CE2 3.69Å; W141-Y166 AromaticContact CD1-CD2 3.97Å; W141-Y166 AromaticContact CD2-CD2 3.46Å; W141-Y166 HydrophobicContact CD2-CD2 3.46Å; W141-Y166 VanDerWaalsContact CD2-CD2 3.46Å; W141-Y166 HydrophobicContact CD2-CE2 4.13Å; W141-Y166 HydrophobicContact CD2-CG 4.37Å; W141-Y166 AromaticContact CE2-CD2 3.94Å; W141-Y166 AromaticContact CE3-CD2 3.69Å; W141-Y166 HydrophobicContact CE3-CD2 3.69Å; W141-Y166 HydrophobicContact CE3-CG 4.18Å; W141-Y166 AromaticContact CG-CD2 3.55Å; W141-Y166 HydrophobicContact CG-CD2 3.55Å; W141-Y166 AromaticContact CG-CE2 3.7Å; W141-Y166 HydrophobicContact CG-CE2 3.7Å; W141-Y166 HydrophobicContact CZ3-CD2 4.37Å; W141-F169 AromaticContact CD1-CD1 3.48Å; W141-F169 VanDerWaalsContact CD1-CD1 3.48Å; W141-F169 AromaticContact CD1-CE1 3.59Å; W141-F169 AromaticContact CD1-CG 3.92Å; W141-F169 HydrophobicContact CG-CD1 4.48Å; W141-F169 HydrophobicContact CZ2-CB 4.4Å; W141-F169 AromaticContact NE1-CD1 3.42Å; W141-F169 AromaticContact NE1-CD2 3.76Å; W141-F169 AromaticContact NE1-CE1 3.91Å; W141-F169 AromaticContact NE1-CG 3.35Å
142	N	82.7	Confident	79.9	Confident	77 Å²	77	56.4 Å²	56.4	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-57	-27.9	173.5	-87.6	-77.7	0	0	0	113.8	D138 I140 R146	D138-N142 WeakPolarHBondContact O-CB 3.43Å; D138-N142 PolarHBondContact O-N 2.95Å; D138-N142 PolarHBondContact O-ND2 3.44Å; I140-N142 PolarHBondContact O-N 3.36Å; N142-R146 VanDerWaalsContact O-CD 3.25Å; N142-R146 WeakPolarHBondContact O-CD 3.44Å; N142-R146 WeakPolarHBondContact O-CG 3.33Å
143	L	82.6	Confident	78.8	Confident	22 Å²	22	63.6 Å²	63.6	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-88.3	-32	173.5	-62.9	171.7	0	0	0	112.5	I106 M110 F125 I140 W141 F147	I106-L143 HydrophobicContact CB-CD1 4.2Å; I106-L143 HydrophobicContact CG1-CD1 3.98Å; I106-L143 HydrophobicContact CG2-CD1 3.93Å; M110-L143 HydrophobicContact CG-CD1 4.41Å; M110-L143 HydrophobicContact CG-CD2 4.27Å; F125-L143 HydrophobicContact CE1-CB 4.07Å; F125-L143 HydrophobicContact CZ-CB 4.4Å; I140-L143 CarbonylContact O-C 3.34Å; I140-L143 WeakPolarHBondContact O-CA 3.43Å; I140-L143 WeakPolarHBondContact O-CB 3.46Å; I140-L143 PolarHBondContact O-N 2.88Å; W141-L143 PolarHBondContact O-N 2.95Å; W141-L143 VanDerWaalsContact O-N 3.11Å; L143-F147 WeakPolarHBondContact O-CB 3.25Å; L143-F147 PolarHBondContact O-N 2.87Å
144	Y	83	Confident	77.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-76.7	-35.4	-178.3	-156	-172.6	0	0	0	112	R122 F125 D126 L129 I140 W141 F147 A148 I162	R122-Y144 VanDerWaalsContact CG-OH 3.3Å; R122-Y144 WeakPolarHBondContact CG-OH 3.29Å; F125-Y144 HydrophobicContact CB-CD1 4.02Å; F125-Y144 HydrophobicContact CB-CD2 3.92Å; F125-Y144 HydrophobicContact CB-CE1 3.69Å; F125-Y144 HydrophobicContact CB-CE2 3.58Å; F125-Y144 HydrophobicContact CB-CG 4.11Å; F125-Y144 VanDerWaalsContact CB-CZ 3.42Å; F125-Y144 HydrophobicContact CD1-CD1 4.16Å; F125-Y144 AromaticContact CD1-CD2 3.76Å; F125-Y144 HydrophobicContact CD1-CD2 3.76Å; F125-Y144 HydrophobicContact CD1-CE2 4.31Å; F125-Y144 AromaticContact CD1-CG 3.65Å; F125-Y144 HydrophobicContact CD1-CG 3.65Å; F125-Y144 AromaticContact CD2-CD2 3.42Å; F125-Y144 HydrophobicContact CD2-CD2 3.42Å; F125-Y144 VanDerWaalsContact CD2-CD2 3.42Å; F125-Y144 AromaticContact CD2-CE2 3.46Å; F125-Y144 HydrophobicContact CD2-CE2 3.46Å; F125-Y144 VanDerWaalsContact CD2-CE2 3.46Å; F125-Y144 HydrophobicContact CD2-CG 4.18Å; F125-Y144 HydrophobicContact CE1-CD2 4.06Å; F125-Y144 HydrophobicContact CE1-CG 4.02Å; F125-Y144 AromaticContact CE2-CD2 3.76Å; F125-Y144 HydrophobicContact CE2-CD2 3.76Å; F125-Y144 HydrophobicContact CE2-CE2 4.18Å; F125-Y144 HydrophobicContact CG-CD1 4.16Å; F125-Y144 AromaticContact CG-CD2 3.44Å; F125-Y144 HydrophobicContact CG-CD2 3.44Å; F125-Y144 VanDerWaalsContact CG-CD2 3.44Å; F125-Y144 HydrophobicContact CG-CE1 4.26Å; F125-Y144 AromaticContact CG-CE2 3.55Å; F125-Y144 HydrophobicContact CG-CE2 3.55Å; F125-Y144 AromaticContact CG-CG 3.75Å; F125-Y144 HydrophobicContact CG-CG 3.75Å; F125-Y144 AromaticContact CG-CZ 3.94Å; F125-Y144 HydrophobicContact CZ-CD2 4.07Å; F125-Y144 HydrophobicContact CZ-CG 4.45Å; D126-Y144 PolarHBondContact OD1-OH 2.78Å; L129-Y144 HydrophobicContact CD1-CD1 4.16Å; L129-Y144 HydrophobicContact CD1-CE1 3.99Å; I140-Y144 WeakPolarHBondContact O-CB 3.45Å; I140-Y144 PolarHBondContact O-N 3.34Å; W141-Y144 AromaticContact CE3-CD1 3.82Å; W141-Y144 HydrophobicContact CE3-CD1 3.82Å; W141-Y144 HydrophobicContact CE3-CG 4.46Å; W141-Y144 HydrophobicContact CH2-CD1 4.3Å; W141-Y144 AromaticContact CZ3-CD1 3.54Å; W141-Y144 HydrophobicContact CZ3-CD1 3.54Å; W141-Y144 HydrophobicContact CZ3-CE1 4.12Å; W141-Y144 HydrophobicContact CZ3-CG 4.46Å; W141-Y144 PolarHBondContact O-N 3.27Å; Y144-F147 AromaticContact CD2-CD1 3.92Å; Y144-F147 HydrophobicContact CD2-CD1 3.92Å; Y144-F147 HydrophobicContact CE2-CD1 4.06Å; Y144-F147 HydrophobicContact CE2-CE1 4.41Å; Y144-F147 WeakPolarHBondContact O-CB 3.4Å; Y144-F147 PolarHBondContact O-N 3.43Å; Y144-A148 PolarHBondContact O-N 3.02Å; Y144-I162 HydrophobicContact CD1-CG2 3.91Å; Y144-I162 HydrophobicContact CD2-CD1 4.02Å; Y144-I162 HydrophobicContact CD2-CG1 4.43Å; Y144-I162 HydrophobicContact CD2-CG2 4.06Å; Y144-I162 HydrophobicContact CE1-CG1 4.18Å; Y144-I162 HydrophobicContact CE1-CG2 4.07Å; Y144-I162 HydrophobicContact CE2-CD1 3.4Å; Y144-I162 VanDerWaalsContact CE2-CD1 3.4Å; Y144-I162 HydrophobicContact CE2-CG1 3.76Å; Y144-I162 HydrophobicContact CE2-CG2 4.2Å; Y144-I162 HydrophobicContact CG-CG2 3.95Å
145	L	80.3	Confident	76.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-50.5	168.8	-63.6	169.2	0	0	0	109.7	W141 F147 A148 D149 Y163 Y166	W141-L145 WeakPolarHBondContact O-CB 3.36Å; W141-L145 VanDerWaalsContact O-CG 3.25Å; W141-L145 WeakPolarHBondContact O-CG 3.45Å; W141-L145 PolarHBondContact O-N 2.9Å; L145-F147 PolarHBondContact O-N 3.13Å; L145-A148 CarbonylContact O-C 3.58Å; L145-A148 WeakPolarHBondContact O-CA 3.48Å; L145-A148 WeakPolarHBondContact O-CB 3.44Å; L145-A148 PolarHBondContact O-N 2.83Å; L145-D149 WeakPolarHBondContact O-CB 3.45Å; L145-D149 PolarHBondContact O-N 3.36Å; L145-D149 VanDerWaalsContact O-OD2 3.14Å; L145-Y163 HydrophobicContact CD2-CD1 3.95Å; L145-Y163 HydrophobicContact CD2-CD2 4.42Å; L145-Y163 HydrophobicContact CD2-CE1 3.52Å; L145-Y163 HydrophobicContact CD2-CE2 4.02Å; L145-Y163 HydrophobicContact CD2-CG 4.39Å; L145-Y166 HydrophobicContact CD1-CD1 4.05Å; L145-Y166 HydrophobicContact CD1-CE1 3.68Å; L145-Y166 HydrophobicContact CD1-CE2 4.22Å; L145-Y166 HydrophobicContact CD1-CG 4.44Å; L145-Y166 HydrophobicContact CD2-CD1 3.92Å; L145-Y166 HydrophobicContact CD2-CE1 4.37Å; L145-Y166 HydrophobicContact CD2-CG 4.15Å
146	R	81.2	Confident	76	Confident	152 Å²	152	63.7 Å²	63.7	57%	0.574	28%	0.283	S	S	*	.	H	α-helix	trans	-57.7	-23	172.3	-73.5	175.7	-178.2	-167.9	-0.8	114	N142 R150	N142-R146 VanDerWaalsContact O-CD 3.25Å; N142-R146 WeakPolarHBondContact O-CD 3.44Å; N142-R146 WeakPolarHBondContact O-CG 3.33Å; R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 VanDerWaalsContact O-CD 3.29Å; R146-R150 WeakPolarHBondContact O-CD 3.44Å; R146-R150 WeakPolarHBondContact O-CG 3.27Å
147	F	80.7	Confident	75.5	Confident	5 Å²	5	67 Å²	67	2%	0.022	30%	0.298	C	S	.	.	H	α-helix	trans	-80	-43.2	170.5	171.6	-97.8	0	0	0	111.6	M113 I118 T121 F125 L143 Y144 L145 R150 H151 I162	M113-F147 HydrophobicContact CE-CB 3.83Å; M113-F147 HydrophobicContact CE-CD2 4.44Å; M113-F147 HydrophobicContact CG-CD2 4.02Å; M113-F147 HydrophobicContact SD-CB 4.26Å; I118-F147 HydrophobicContact CB-CZ 4.48Å; I118-F147 HydrophobicContact CG2-CZ 3.95Å; T121-F147 HydrophobicContact CG2-CE2 4.05Å; T121-F147 WeakPolarHBondContact OG1-CE2 3.42Å; T121-F147 WeakPolarHBondContact OG1-CZ 3.4Å; F125-F147 HydrophobicContact CE2-CB 3.99Å; F125-F147 HydrophobicContact CE2-CD1 4.09Å; F125-F147 HydrophobicContact CE2-CD2 4.28Å; F125-F147 AromaticContact CE2-CG 3.86Å; F125-F147 HydrophobicContact CE2-CG 3.86Å; F125-F147 HydrophobicContact CZ-CB 4.09Å; F125-F147 HydrophobicContact CZ-CG 4.46Å; L143-F147 WeakPolarHBondContact O-CB 3.25Å; L143-F147 PolarHBondContact O-N 2.87Å; Y144-F147 AromaticContact CD2-CD1 3.92Å; Y144-F147 HydrophobicContact CD2-CD1 3.92Å; Y144-F147 HydrophobicContact CE2-CD1 4.06Å; Y144-F147 HydrophobicContact CE2-CE1 4.41Å; Y144-F147 WeakPolarHBondContact O-CB 3.4Å; Y144-F147 PolarHBondContact O-N 3.43Å; L145-F147 PolarHBondContact O-N 3.13Å; F147-R150 PolarHBondContact O-N 3.4Å; F147-H151 AromaticContact CD2-CD2 3.42Å; F147-H151 VanDerWaalsContact CD2-CD2 3.42Å; F147-H151 WeakPolarHBondContact CD2-CD2 3.35Å; F147-H151 AromaticContact CD2-NE2 3.75Å; F147-H151 AromaticContact CE2-CD2 3.27Å; F147-H151 WeakPolarHBondContact CE2-CD2 3.34Å; F147-H151 AromaticContact CE2-NE2 3.51Å; F147-H151 AromaticContact CZ-CD2 3.87Å; F147-H151 PolarHBondContact O-CD2 2.53Å; F147-H151 VanDerWaalsContact O-CD2 3.24Å; F147-H151 PolarHBondContact O-N 3.45Å; F147-I162 HydrophobicContact CD1-CD1 4.4Å; F147-I162 HydrophobicContact CE1-CD1 4.41Å
148	A	77.4	Confident	74.9	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-47.8	174.8	0	0	0	0	0	111.9	Y144 L145 R150 H151 G152 C159 I162 Y163	Y144-A148 PolarHBondContact O-N 3.02Å; L145-A148 CarbonylContact O-C 3.58Å; L145-A148 WeakPolarHBondContact O-CA 3.48Å; L145-A148 WeakPolarHBondContact O-CB 3.44Å; L145-A148 PolarHBondContact O-N 2.83Å; A148-R150 VanDerWaalsContact C-N 3.34Å; A148-R150 PolarHBondContact O-N 2.98Å; A148-H151 CarbonylContact O-C 3.6Å; A148-H151 PolarHBondContact O-N 2.7Å; A148-G152 WeakPolarHBondContact O-CA 3.4Å; A148-G152 PolarHBondContact O-N 2.72Å; A148-C159 VanDerWaalsContact CA-SG 3.55Å; A148-C159 HydrophobicContact CB-CB 4.01Å; A148-C159 PolarHBondContact O-SG 2.95Å; A148-I162 HydrophobicContact CB-CG2 4.42Å; A148-Y163 HydrophobicContact CB-CD2 4.28Å; A148-Y163 HydrophobicContact CB-CE2 3.83Å
149	D	74.7	Confident	74.7	Confident	56 Å²	56	64.2 Å²	64.2	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-57.1	-45.8	177.7	-54.3	-23.3	0	0	0	110.7	L145 H151 Y163 R176	L145-D149 WeakPolarHBondContact O-CB 3.45Å; L145-D149 PolarHBondContact O-N 3.36Å; L145-D149 VanDerWaalsContact O-OD2 3.14Å; D149-H151 VanDerWaalsContact C-N 3.33Å; D149-H151 PolarHBondContact O-N 3.45Å; D149-Y163 PolarHBondContact OD1-OH 2.83Å; D149-R176 IonicContact OD2-NH2 3.6Å; D149-R176 PolarHBondContact OD2-NH2 3.07Å
150	R	75.8	Confident	74.5	Confident	190 Å²	190	56.8 Å²	56.8	72%	0.717	26%	0.259	S	S	*	.	H	α-helix	trans	-69.4	-22.4	179.7	-77.4	176.9	176.8	-151.9	-4.8	115.2	R146 F147 A148	R146-R150 WeakPolarHBondContact O-CB 3.44Å; R146-R150 VanDerWaalsContact O-CD 3.29Å; R146-R150 WeakPolarHBondContact O-CD 3.44Å; R146-R150 WeakPolarHBondContact O-CG 3.27Å; F147-R150 PolarHBondContact O-N 3.4Å; A148-R150 VanDerWaalsContact C-N 3.34Å; A148-R150 PolarHBondContact O-N 2.98Å
151	H	68	Low	74.1	Confident	47 Å²	47	63.8 Å²	63.8	22%	0.218	29%	0.285	C	S	.	.	H	α-helix	trans	-115.6	0.7	-177	-66.5	-64.8	0	0	0	113.6	F147 A148 D149 H153 K154 I155	F147-H151 AromaticContact CD2-CD2 3.42Å; F147-H151 VanDerWaalsContact CD2-CD2 3.42Å; F147-H151 WeakPolarHBondContact CD2-CD2 3.35Å; F147-H151 AromaticContact CD2-NE2 3.75Å; F147-H151 AromaticContact CE2-CD2 3.27Å; F147-H151 WeakPolarHBondContact CE2-CD2 3.34Å; F147-H151 AromaticContact CE2-NE2 3.51Å; F147-H151 AromaticContact CZ-CD2 3.87Å; F147-H151 PolarHBondContact O-CD2 2.53Å; F147-H151 VanDerWaalsContact O-CD2 3.24Å; F147-H151 PolarHBondContact O-N 3.45Å; A148-H151 CarbonylContact O-C 3.6Å; A148-H151 PolarHBondContact O-N 2.7Å; D149-H151 VanDerWaalsContact C-N 3.33Å; D149-H151 PolarHBondContact O-N 3.45Å; H151-H153 PolarHBondContact O-N 3.16Å; H151-H153 VanDerWaalsContact O-N 3.15Å; H151-K154 PolarHBondContact O-N 2.73Å; H151-I155 PolarHBondContact O-N 2.97Å
152	G	61.4	Low	73.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.4	-174.5	0	0	0	0	0	114.2	A148 K154 N156	A148-G152 WeakPolarHBondContact O-CA 3.4Å; A148-G152 PolarHBondContact O-N 2.72Å; G152-K154 PolarHBondContact O-N 2.87Å; G152-N156 PolarHBondContact O-OD1 3.02Å; G152-N156 VanDerWaalsContact O-OD1 3.11Å
153	H	60.9	Low	73.6	Confident	162 Å²	162	60 Å²	60	75%	0.75	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.1	176.5	-66	-70.8	0	0	0	115.9	H151	H151-H153 PolarHBondContact O-N 3.16Å; H151-H153 VanDerWaalsContact O-N 3.15Å
154	K	60.2	Low	73.4	Confident	179 Å²	179	65.4 Å²	65.4	78%	0.778	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-22.7	-174.5	-69.6	-167.7	176.5	-173.7	0	115.1	H151 G152	H151-K154 PolarHBondContact O-N 2.73Å; G152-K154 PolarHBondContact O-N 2.87Å
155	I	60.7	Low	73.3	Confident	60 Å²	60	71 Å²	71	31%	0.308	31%	0.305	S	S	.	.			trans	-147.8	57.7	-174.6	-36.3	175.2	0	0	0	111.2	I118 H151 E157 T158 C159	I118-I155 HydrophobicContact CD1-CD1 3.8Å; I118-I155 HydrophobicContact CG2-CD1 3.74Å; H151-I155 PolarHBondContact O-N 2.97Å; I155-E157 VanDerWaalsContact C-N 3.28Å; I155-E157 PolarHBondContact O-N 3.38Å; I155-E157 VanDerWaalsContact O-N 3.15Å; I155-T158 WeakPolarHBondContact CB-OG1 3.42Å; I155-T158 HydrophobicContact CG2-CG2 3.55Å; I155-T158 WeakPolarHBondContact CG2-OG1 3.39Å; I155-T158 PolarHBondContact O-N 2.91Å; I155-T158 PolarHBondContact O-OG1 3.24Å; I155-C159 PolarHBondContact O-N 3.3Å
156	N	66.6	Low	73.2	Confident	59 Å²	59	71.7 Å²	71.7	32%	0.316	31%	0.308	S	S	.	.	H	α-helix	trans	-42.5	-52.5	-175.5	-54.4	34.5	0	0	0	111.8	G152 T158 C159 V160	G152-N156 PolarHBondContact O-OD1 3.02Å; G152-N156 VanDerWaalsContact O-OD1 3.11Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.47Å; N156-C159 PolarHBondContact O-N 2.9Å; N156-C159 VanDerWaalsContact O-N 3.14Å; N156-V160 WeakPolarHBondContact O-CB 3.49Å; N156-V160 WeakPolarHBondContact O-CG2 3.46Å; N156-V160 PolarHBondContact O-N 3.11Å
157	E	71.7	Confident	73.1	Confident	125 Å²	125	65.8 Å²	65.8	58%	0.584	29%	0.289	S	S	*	.	H	α-helix	trans	-53.2	-40.3	178.6	-87.1	-154.5	-117.3	0	0	114.5	I155 R161	I155-E157 VanDerWaalsContact C-N 3.28Å; I155-E157 PolarHBondContact O-N 3.38Å; I155-E157 VanDerWaalsContact O-N 3.15Å; E157-R161 VanDerWaalsContact O-CB 3.31Å; E157-R161 WeakPolarHBondContact O-CB 3.43Å; E157-R161 WeakPolarHBondContact O-CD 3.46Å; E157-R161 WeakPolarHBondContact O-CG 3.36Å; E157-R161 PolarHBondContact O-N 3.11Å; E157-R161 IonicContact OE2-CZ 2.7Å; E157-R161 IonicContact OE2-NE 2.65Å; E157-R161 PolarHBondContact OE2-NE 3.2Å; E157-R161 IonicContact OE2-NH2 3.36Å; E157-R161 PolarHBondContact OE2-NH2 2.83Å
158	T	72.6	Confident	73	Confident	41 Å²	41	74.6 Å²	74.6	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-74.5	-37	-179.3	61.9	0	0	0	0	111.6	I155 N156 R161 I162	I155-T158 WeakPolarHBondContact CB-OG1 3.42Å; I155-T158 HydrophobicContact CG2-CG2 3.55Å; I155-T158 WeakPolarHBondContact CG2-OG1 3.39Å; I155-T158 PolarHBondContact O-N 2.91Å; I155-T158 PolarHBondContact O-OG1 3.24Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.47Å; T158-R161 PolarHBondContact O-N 2.91Å; T158-I162 WeakPolarHBondContact O-CD1 3.5Å; T158-I162 WeakPolarHBondContact O-CG1 3.47Å; T158-I162 PolarHBondContact O-N 2.91Å
159	C	75.4	Confident	72.9	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.007	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-43.6	173.7	-64.5	0	0	0	0	111.1	A148 I155 N156 R161 I162 Y163 F180	A148-C159 VanDerWaalsContact CA-SG 3.55Å; A148-C159 HydrophobicContact CB-CB 4.01Å; A148-C159 PolarHBondContact O-SG 2.95Å; I155-C159 PolarHBondContact O-N 3.3Å; N156-C159 PolarHBondContact O-N 2.9Å; N156-C159 VanDerWaalsContact O-N 3.14Å; C159-R161 PolarHBondContact O-N 3.5Å; C159-I162 CarbonylContact O-C 3.55Å; C159-I162 WeakPolarHBondContact O-CA 3.47Å; C159-I162 WeakPolarHBondContact O-CB 3.3Å; C159-I162 PolarHBondContact O-N 2.89Å; C159-Y163 WeakPolarHBondContact O-CD2 3.41Å; C159-Y163 PolarHBondContact O-N 2.9Å; C159-F180 HydrophobicContact CB-CE1 4.1Å; C159-F180 HydrophobicContact CB-CZ 3.54Å
160	V	77.6	Confident	72.8	Confident	6 Å²	6	75.1 Å²	75.1	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-57.5	-45.4	171.4	168.8	0	0	0	0	111.2	N156 I162 Y163 R164 F177 L181 E189	N156-V160 WeakPolarHBondContact O-CB 3.49Å; N156-V160 WeakPolarHBondContact O-CG2 3.46Å; N156-V160 PolarHBondContact O-N 3.11Å; V160-I162 VanDerWaalsContact C-N 3.25Å; V160-I162 PolarHBondContact O-N 2.96Å; V160-Y163 PolarHBondContact O-N 3.02Å; V160-R164 HydrophobicContact CG1-CG 4.24Å; V160-R164 WeakPolarHBondContact O-CB 3.42Å; V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.36Å; V160-R164 PolarHBondContact O-N 3.01Å; V160-F177 HydrophobicContact CG1-CZ 4.36Å; V160-L181 HydrophobicContact CG2-CD2 3.91Å; V160-E189 WeakPolarHBondContact CG1-OE1 3.26Å
161	R	78.5	Confident	72.6	Confident	149 Å²	149	69.1 Å²	69.1	56%	0.562	31%	0.314	S	S	*	.	H	α-helix	trans	-65.2	-24.5	174.8	-70	164.5	-169.4	-136.8	11.7	113.3	E157 T158 C159 R165	E157-R161 VanDerWaalsContact O-CB 3.31Å; E157-R161 WeakPolarHBondContact O-CB 3.43Å; E157-R161 WeakPolarHBondContact O-CD 3.46Å; E157-R161 WeakPolarHBondContact O-CG 3.36Å; E157-R161 PolarHBondContact O-N 3.11Å; E157-R161 IonicContact OE2-CZ 2.7Å; E157-R161 IonicContact OE2-NE 2.65Å; E157-R161 PolarHBondContact OE2-NE 3.2Å; E157-R161 IonicContact OE2-NH2 3.36Å; E157-R161 PolarHBondContact OE2-NH2 2.83Å; T158-R161 PolarHBondContact O-N 2.91Å; C159-R161 PolarHBondContact O-N 3.5Å; R161-R165 WeakPolarHBondContact O-CD 3.43Å; R161-R165 VanDerWaalsContact O-CG 3.31Å; R161-R165 WeakPolarHBondContact O-CG 3.31Å
162	I	79.2	Confident	72.7	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-75.1	-49.7	171.9	-71.2	161.4	0	0	0	109.8	W141 Y144 F147 A148 T158 C159 V160 R164 R165 Y166	W141-I162 HydrophobicContact CZ3-CG2 4.13Å; Y144-I162 HydrophobicContact CD1-CG2 3.91Å; Y144-I162 HydrophobicContact CD2-CD1 4.02Å; Y144-I162 HydrophobicContact CD2-CG1 4.43Å; Y144-I162 HydrophobicContact CD2-CG2 4.06Å; Y144-I162 HydrophobicContact CE1-CG1 4.18Å; Y144-I162 HydrophobicContact CE1-CG2 4.07Å; Y144-I162 HydrophobicContact CE2-CD1 3.4Å; Y144-I162 VanDerWaalsContact CE2-CD1 3.4Å; Y144-I162 HydrophobicContact CE2-CG1 3.76Å; Y144-I162 HydrophobicContact CE2-CG2 4.2Å; Y144-I162 HydrophobicContact CG-CG2 3.95Å; F147-I162 HydrophobicContact CD1-CD1 4.4Å; F147-I162 HydrophobicContact CE1-CD1 4.41Å; A148-I162 HydrophobicContact CB-CG2 4.42Å; T158-I162 WeakPolarHBondContact O-CD1 3.5Å; T158-I162 WeakPolarHBondContact O-CG1 3.47Å; T158-I162 PolarHBondContact O-N 2.91Å; C159-I162 CarbonylContact O-C 3.55Å; C159-I162 WeakPolarHBondContact O-CA 3.47Å; C159-I162 WeakPolarHBondContact O-CB 3.3Å; C159-I162 PolarHBondContact O-N 2.89Å; V160-I162 VanDerWaalsContact C-N 3.25Å; V160-I162 PolarHBondContact O-N 2.96Å; I162-R164 PolarHBondContact O-N 3.41Å; I162-R165 WeakPolarHBondContact O-CA 3.49Å; I162-R165 WeakPolarHBondContact O-CB 3.23Å; I162-R165 PolarHBondContact O-N 3.19Å; I162-Y166 PolarHBondContact O-N 3.12Å
163	Y	77.6	Confident	73.3	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-41.9	177	-87.9	-89.3	0	0	0	112.7	L145 A148 D149 C159 V160 R165 Y166 V167 R176 F177 F180	L145-Y163 HydrophobicContact CD2-CD1 3.95Å; L145-Y163 HydrophobicContact CD2-CD2 4.42Å; L145-Y163 HydrophobicContact CD2-CE1 3.52Å; L145-Y163 HydrophobicContact CD2-CE2 4.02Å; L145-Y163 HydrophobicContact CD2-CG 4.39Å; A148-Y163 HydrophobicContact CB-CD2 4.28Å; A148-Y163 HydrophobicContact CB-CE2 3.83Å; D149-Y163 PolarHBondContact OD1-OH 2.83Å; C159-Y163 WeakPolarHBondContact O-CD2 3.41Å; C159-Y163 PolarHBondContact O-N 2.9Å; V160-Y163 PolarHBondContact O-N 3.02Å; Y163-R165 PolarHBondContact O-N 3Å; Y163-R165 VanDerWaalsContact O-N 3.11Å; Y163-Y166 WeakPolarHBondContact O-CA 3.5Å; Y163-Y166 WeakPolarHBondContact O-CB 3.32Å; Y163-Y166 PolarHBondContact O-N 3.5Å; Y163-V167 PolarHBondContact O-N 3.15Å; Y163-R176 HydrophobicContact CE1-CG 4.33Å; Y163-F177 VanDerWaalsContact CB-CE2 3.42Å; Y163-F177 HydrophobicContact CD1-CB 3.91Å; Y163-F177 AromaticContact CD1-CD2 3.76Å; Y163-F177 HydrophobicContact CD1-CD2 3.76Å; Y163-F177 HydrophobicContact CD1-CG 4.14Å; Y163-F177 AromaticContact CG-CD2 3.67Å; Y163-F177 HydrophobicContact CG-CD2 3.67Å; Y163-F177 HydrophobicContact CG-CE2 4.18Å; Y163-F177 HydrophobicContact CG-CG 4.41Å; Y163-F180 AromaticContact CD2-CD1 3.79Å; Y163-F180 HydrophobicContact CD2-CD1 3.79Å; Y163-F180 HydrophobicContact CD2-CD2 4.19Å; Y163-F180 AromaticContact CD2-CE1 3.87Å; Y163-F180 HydrophobicContact CD2-CE1 3.87Å; Y163-F180 HydrophobicContact CD2-CE2 4.24Å; Y163-F180 AromaticContact CD2-CG 3.98Å; Y163-F180 HydrophobicContact CD2-CG 3.98Å; Y163-F180 HydrophobicContact CD2-CZ 4.12Å; Y163-F180 HydrophobicContact CE1-CB 4.07Å; Y163-F180 HydrophobicContact CE1-CG 4.23Å; Y163-F180 HydrophobicContact CE2-CB 4.21Å; Y163-F180 AromaticContact CE2-CD1 3.78Å; Y163-F180 HydrophobicContact CE2-CD1 3.78Å; Y163-F180 AromaticContact CE2-CD2 3.32Å; Y163-F180 HydrophobicContact CE2-CD2 3.32Å; Y163-F180 AromaticContact CE2-CE1 3.97Å; Y163-F180 HydrophobicContact CE2-CE1 3.97Å; Y163-F180 AromaticContact CE2-CE2 3.52Å; Y163-F180 HydrophobicContact CE2-CE2 3.52Å; Y163-F180 AromaticContact CE2-CG 3.48Å; Y163-F180 HydrophobicContact CE2-CG 3.48Å; Y163-F180 VanDerWaalsContact CE2-CG 3.48Å; Y163-F180 AromaticContact CE2-CZ 3.86Å; Y163-F180 HydrophobicContact CE2-CZ 3.86Å; Y163-F180 HydrophobicContact CG-CD1 4.34Å; Y163-F180 AromaticContact CZ-CD2 3.56Å; Y163-F180 AromaticContact CZ-CG 3.63Å
164	R	78.8	Confident	74	Confident	136 Å²	136	64.9 Å²	64.9	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-15.8	171.7	-69.3	-176.2	-167.4	-169.9	9.2	114	V160 I162 K168 F177 E189	V160-R164 HydrophobicContact CG1-CG 4.24Å; V160-R164 WeakPolarHBondContact O-CB 3.42Å; V160-R164 VanDerWaalsContact O-CG 3.29Å; V160-R164 WeakPolarHBondContact O-CG 3.36Å; V160-R164 PolarHBondContact O-N 3.01Å; I162-R164 PolarHBondContact O-N 3.41Å; R164-K168 WeakPolarHBondContact O-CG 3.3Å; R164-F177 HydrophobicContact CG-CE1 4.12Å; R164-F177 HydrophobicContact CG-CZ 3.84Å; R164-E189 IonicContact CZ-OE1 3.81Å; R164-E189 IonicContact NE-OE1 3.58Å; R164-E189 IonicContact NH2-OE1 2.74Å; R164-E189 PolarHBondContact NH2-OE1 2.64Å
165	R	79.1	Confident	74.7	Confident	119 Å²	119	56.6 Å²	56.6	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-91.9	-29.4	168.4	-70.5	169.8	174.2	-173.8	-0.5	112.1	D126 W141 R161 I162 Y163 K168	D126-R165 IonicContact OD1-NH1 2.74Å; D126-R165 PolarHBondContact OD1-NH1 3.26Å; D126-R165 IonicContact OD2-CZ 2.86Å; D126-R165 IonicContact OD2-NH1 3.25Å; D126-R165 PolarHBondContact OD2-NH1 3.2Å; D126-R165 IonicContact OD2-NH2 3.95Å; W141-R165 HydrophobicContact CH2-CB 3.74Å; R161-R165 WeakPolarHBondContact O-CD 3.43Å; R161-R165 VanDerWaalsContact O-CG 3.31Å; R161-R165 WeakPolarHBondContact O-CG 3.31Å; I162-R165 WeakPolarHBondContact O-CA 3.49Å; I162-R165 WeakPolarHBondContact O-CB 3.23Å; I162-R165 PolarHBondContact O-N 3.19Å; Y163-R165 PolarHBondContact O-N 3Å; Y163-R165 VanDerWaalsContact O-N 3.11Å; R165-K168 PolarHBondContact O-N 3.03Å
166	Y	79.8	Confident	75.6	Confident	13 Å²	13	57.5 Å²	57.5	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-44.8	174.7	-175.3	-124.7	0	0	0	112.1	W141 L145 I162 Y163 K168 F169 A170 D173	W141-Y166 HydrophobicContact CB-CD2 3.92Å; W141-Y166 HydrophobicContact CB-CE2 3.69Å; W141-Y166 AromaticContact CD1-CD2 3.97Å; W141-Y166 AromaticContact CD2-CD2 3.46Å; W141-Y166 HydrophobicContact CD2-CD2 3.46Å; W141-Y166 VanDerWaalsContact CD2-CD2 3.46Å; W141-Y166 HydrophobicContact CD2-CE2 4.13Å; W141-Y166 HydrophobicContact CD2-CG 4.37Å; W141-Y166 AromaticContact CE2-CD2 3.94Å; W141-Y166 AromaticContact CE3-CD2 3.69Å; W141-Y166 HydrophobicContact CE3-CD2 3.69Å; W141-Y166 HydrophobicContact CE3-CG 4.18Å; W141-Y166 AromaticContact CG-CD2 3.55Å; W141-Y166 HydrophobicContact CG-CD2 3.55Å; W141-Y166 AromaticContact CG-CE2 3.7Å; W141-Y166 HydrophobicContact CG-CE2 3.7Å; W141-Y166 HydrophobicContact CZ3-CD2 4.37Å; L145-Y166 HydrophobicContact CD1-CD1 4.05Å; L145-Y166 HydrophobicContact CD1-CE1 3.68Å; L145-Y166 HydrophobicContact CD1-CE2 4.22Å; L145-Y166 HydrophobicContact CD1-CG 4.44Å; L145-Y166 HydrophobicContact CD2-CD1 3.92Å; L145-Y166 HydrophobicContact CD2-CE1 4.37Å; L145-Y166 HydrophobicContact CD2-CG 4.15Å; I162-Y166 PolarHBondContact O-N 3.12Å; Y163-Y166 WeakPolarHBondContact O-CA 3.5Å; Y163-Y166 WeakPolarHBondContact O-CB 3.32Å; Y163-Y166 PolarHBondContact O-N 3.5Å; Y166-K168 PolarHBondContact O-N 3.25Å; Y166-F169 HydrophobicContact CD2-CD1 4.24Å; Y166-F169 HydrophobicContact CE2-CD1 4.04Å; Y166-F169 CarbonylContact O-C 3.55Å; Y166-F169 WeakPolarHBondContact O-CA 3.43Å; Y166-F169 WeakPolarHBondContact O-CB 3.4Å; Y166-F169 PolarHBondContact O-N 3.27Å; Y166-A170 HydrophobicContact CE2-CB 4.17Å; Y166-A170 PolarHBondContact O-N 3.46Å; Y166-D173 HydrophobicContact CE1-CB 3.69Å; Y166-D173 PolarHBondContact OH-OD2 2.69Å
167	V	77.5	Confident	76.2	Confident	29 Å²	29	55.1 Å²	55.1	18%	0.176	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.5	174.6	169.7	0	0	0	0	112.3	Y163 F169 A170 P171 M174 F177	Y163-V167 PolarHBondContact O-N 3.15Å; V167-F169 PolarHBondContact O-N 3.08Å; V167-A170 CarbonylContact O-C 3.58Å; V167-P171 WeakPolarHBondContact O-CA 3.38Å; V167-M174 HydrophobicContact CB-CG 4.25Å; V167-M174 HydrophobicContact CG1-CG 3.49Å; V167-M174 VanDerWaalsContact CG1-CG 3.49Å; V167-M174 HydrophobicContact CG1-SD 3.74Å; V167-M174 HydrophobicContact CG2-CG 3.81Å; V167-F177 HydrophobicContact CG2-CB 4.06Å; V167-F177 HydrophobicContact CG2-CD1 3.77Å; V167-F177 HydrophobicContact CG2-CG 4.21Å
168	K	79	Confident	76.6	Confident	189 Å²	189	49.2 Å²	49.2	82%	0.822	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.8	174.2	-67.4	-170.7	178.1	-155.5	0	114.6	R164 R165 Y166	R164-K168 WeakPolarHBondContact O-CG 3.3Å; R165-K168 PolarHBondContact O-N 3.03Å; Y166-K168 PolarHBondContact O-N 3.25Å
169	F	75.4	Confident	77	Confident	54 Å²	54	49.4 Å²	49.4	24%	0.237	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-44.1	176.6	167.6	-89.5	0	0	0	110.9	I134 H137 D138 W141 Y166 V167	I134-F169 HydrophobicContact CG1-CD2 4.05Å; I134-F169 HydrophobicContact CG1-CE2 3.64Å; H137-F169 HydrophobicContact CB-CD2 4.16Å; H137-F169 HydrophobicContact CB-CE2 3.49Å; H137-F169 VanDerWaalsContact CB-CE2 3.49Å; H137-F169 HydrophobicContact CB-CZ 3.73Å; D138-F169 VanDerWaalsContact OD1-CE1 3.3Å; D138-F169 WeakPolarHBondContact OD1-CE1 3.35Å; D138-F169 VanDerWaalsContact OD1-CZ 3.25Å; D138-F169 WeakPolarHBondContact OD1-CZ 3.43Å; W141-F169 AromaticContact CD1-CD1 3.48Å; W141-F169 VanDerWaalsContact CD1-CD1 3.48Å; W141-F169 AromaticContact CD1-CE1 3.59Å; W141-F169 AromaticContact CD1-CG 3.92Å; W141-F169 HydrophobicContact CG-CD1 4.48Å; W141-F169 HydrophobicContact CZ2-CB 4.4Å; W141-F169 AromaticContact NE1-CD1 3.42Å; W141-F169 AromaticContact NE1-CD2 3.76Å; W141-F169 AromaticContact NE1-CE1 3.91Å; W141-F169 AromaticContact NE1-CG 3.35Å; Y166-F169 HydrophobicContact CD2-CD1 4.24Å; Y166-F169 HydrophobicContact CE2-CD1 4.04Å; Y166-F169 CarbonylContact O-C 3.55Å; Y166-F169 WeakPolarHBondContact O-CA 3.43Å; Y166-F169 WeakPolarHBondContact O-CB 3.4Å; Y166-F169 PolarHBondContact O-N 3.27Å; V167-F169 PolarHBondContact O-N 3.08Å
170	A	72.5	Confident	77.2	Confident	13 Å²	13	49.7 Å²	49.7	11%	0.107	22%	0.222	C	C	.	.			trans	-127	94.3	174.5	0	0	0	0	0	108.7	Y166 V167 D172 D173	Y166-A170 HydrophobicContact CE2-CB 4.17Å; Y166-A170 PolarHBondContact O-N 3.46Å; V167-A170 CarbonylContact O-C 3.58Å; A170-D172 VanDerWaalsContact C-N 3.26Å; A170-D172 PolarHBondContact O-N 2.71Å; A170-D173 HydrophobicContact CB-CB 4.33Å
171	P	72.5	Confident	77.2	Confident	64 Å²	64	49.4 Å²	49.4	42%	0.416	22%	0.221	S	C	.	.	S	Bend	trans	-66.3	-31.6	175.7	26.8	-32.1	0	0	0	111.5	V167 D173 M174 F203	V167-P171 WeakPolarHBondContact O-CA 3.38Å; P171-D173 PolarHBondContact O-N 2.98Å; P171-M174 WeakPolarHBondContact O-CB 3.48Å; P171-M174 WeakPolarHBondContact O-CE 3.48Å; P171-M174 WeakPolarHBondContact O-CG 3.29Å; P171-M174 PolarHBondContact O-N 3.22Å; P171-M174 VanDerWaalsContact O-N 3.13Å; P171-F203 WeakPolarHBondContact O-CE2 3.37Å
172	D	70.7	Confident	77.3	Confident	93 Å²	93	45.7 Å²	45.7	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.3	-178.8	-34.5	-35.7	0	0	0	113	A170 M174	A170-D172 VanDerWaalsContact C-N 3.26Å; A170-D172 PolarHBondContact O-N 2.71Å; D172-M174 VanDerWaalsContact C-N 3.27Å; D172-M174 PolarHBondContact O-N 3.36Å
173	D	74	Confident	77.5	Confident	17 Å²	17	52.8 Å²	52.8	9%	0.091	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	14	-179.4	-87.7	34.2	0	0	0	113.2	Y166 A170 P171 E175 R176 R206	Y166-D173 HydrophobicContact CE1-CB 3.69Å; Y166-D173 PolarHBondContact OH-OD2 2.69Å; A170-D173 HydrophobicContact CB-CB 4.33Å; P171-D173 PolarHBondContact O-N 2.98Å; D173-E175 PolarHBondContact O-N 2.95Å; D173-E175 VanDerWaalsContact O-N 3.16Å; D173-R176 WeakPolarHBondContact O-CB 3.2Å; D173-R176 PolarHBondContact O-N 2.83Å; D173-R206 WeakPolarHBondContact OD1-CD 3.32Å; D173-R206 IonicContact OD1-CZ 3.99Å; D173-R206 IonicContact OD1-NE 2.69Å; D173-R206 IonicContact OD1-NH1 2.71Å; D173-R206 PolarHBondContact OD1-NH1 3.38Å; D173-R206 IonicContact OD2-NH1 3.57Å; D173-R206 PolarHBondContact OD2-NH1 2.92Å
174	M	74.1	Confident	77.1	Confident	11 Å²	11	54.3 Å²	54.3	5%	0.054	25%	0.251	C	S	.	.	H	α-helix	trans	-56.7	-30	179.2	-88.4	-169.5	-68.2	0	0	113.9	V167 P171 D172 R176 F177 V178 I197 F203	V167-M174 HydrophobicContact CB-CG 4.25Å; V167-M174 HydrophobicContact CG1-CG 3.49Å; V167-M174 VanDerWaalsContact CG1-CG 3.49Å; V167-M174 HydrophobicContact CG1-SD 3.74Å; V167-M174 HydrophobicContact CG2-CG 3.81Å; P171-M174 WeakPolarHBondContact O-CB 3.48Å; P171-M174 WeakPolarHBondContact O-CE 3.48Å; P171-M174 WeakPolarHBondContact O-CG 3.29Å; P171-M174 PolarHBondContact O-N 3.22Å; P171-M174 VanDerWaalsContact O-N 3.13Å; D172-M174 VanDerWaalsContact C-N 3.27Å; D172-M174 PolarHBondContact O-N 3.36Å; M174-R176 PolarHBondContact O-N 2.87Å; M174-F177 WeakPolarHBondContact O-CA 3.48Å; M174-F177 WeakPolarHBondContact O-CB 3.35Å; M174-F177 PolarHBondContact O-N 3.04Å; M174-V178 PolarHBondContact O-N 2.86Å; M174-I197 HydrophobicContact CB-CD1 3.87Å; M174-I197 HydrophobicContact CB-CG1 4.15Å; M174-I197 HydrophobicContact CE-CG1 3.85Å; M174-I197 HydrophobicContact SD-CG1 3.95Å; M174-F203 HydrophobicContact CB-CE2 4.17Å; M174-F203 HydrophobicContact CE-CD2 3.6Å; M174-F203 HydrophobicContact CE-CE2 3.86Å
175	E	76.5	Confident	76.8	Confident	5 Å²	5	49.9 Å²	49.9	2%	0.023	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-37.8	174.7	-61.6	176.9	118.1	0	0	111.8	D173 F177 V178 N179 F203 S205 R206 E207 K209 L214	D173-E175 PolarHBondContact O-N 2.95Å; D173-E175 VanDerWaalsContact O-N 3.16Å; E175-F177 VanDerWaalsContact C-N 3.32Å; E175-F177 PolarHBondContact O-N 2.73Å; E175-V178 PolarHBondContact O-N 3.25Å; E175-N179 WeakPolarHBondContact O-CB 3.45Å; E175-N179 PolarHBondContact O-N 2.69Å; E175-N179 PolarHBondContact O-ND2 3.42Å; E175-F203 HydrophobicContact CG-CE1 4.36Å; E175-F203 HydrophobicContact CG-CZ 3.99Å; E175-S205 VanDerWaalsContact CD-CB 3.48Å; E175-S205 WeakPolarHBondContact OE1-CB 3.25Å; E175-S205 WeakPolarHBondContact OE2-CA 3.23Å; E175-S205 WeakPolarHBondContact OE2-CB 3.44Å; E175-R206 PolarHBondContact OE2-N 3.27Å; E175-E207 HydrophobicContact CB-CG 4.39Å; E175-E207 WeakPolarHBondContact OE2-CB 3.39Å; E175-E207 PolarHBondContact OE2-N 3Å; E175-K209 VanDerWaalsContact OE1-CD 3.3Å; E175-K209 WeakPolarHBondContact OE1-CD 3.32Å; E175-L214 HydrophobicContact CG-CD2 4.36Å
176	R	78.4	Confident	76.7	Confident	79 Å²	79	46.4 Å²	46.4	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-67.2	-32.4	175.6	-172.2	179.8	172.5	160.2	3.8	112.2	D149 Y163 D173 M174 F180	D149-R176 IonicContact OD2-NH2 3.6Å; D149-R176 PolarHBondContact OD2-NH2 3.07Å; Y163-R176 HydrophobicContact CE1-CG 4.33Å; D173-R176 WeakPolarHBondContact O-CB 3.2Å; D173-R176 PolarHBondContact O-N 2.83Å; M174-R176 PolarHBondContact O-N 2.87Å; R176-F180 VanDerWaalsContact O-CB 3.32Å; R176-F180 WeakPolarHBondContact O-CB 3.36Å; R176-F180 PolarHBondContact O-N 2.67Å
177	F	79.1	Confident	76.5	Confident	8 Å²	8	46 Å²	46	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-70	-43.1	173.4	-177.8	-148.3	0	0	0	111.1	V160 Y163 R164 V167 M174 E175 F180 L181 V193	V160-F177 HydrophobicContact CG1-CZ 4.36Å; Y163-F177 VanDerWaalsContact CB-CE2 3.42Å; Y163-F177 HydrophobicContact CD1-CB 3.91Å; Y163-F177 AromaticContact CD1-CD2 3.76Å; Y163-F177 HydrophobicContact CD1-CD2 3.76Å; Y163-F177 HydrophobicContact CD1-CG 4.14Å; Y163-F177 AromaticContact CG-CD2 3.67Å; Y163-F177 HydrophobicContact CG-CD2 3.67Å; Y163-F177 HydrophobicContact CG-CE2 4.18Å; Y163-F177 HydrophobicContact CG-CG 4.41Å; R164-F177 HydrophobicContact CG-CE1 4.12Å; R164-F177 HydrophobicContact CG-CZ 3.84Å; V167-F177 HydrophobicContact CG2-CB 4.06Å; V167-F177 HydrophobicContact CG2-CD1 3.77Å; V167-F177 HydrophobicContact CG2-CG 4.21Å; M174-F177 WeakPolarHBondContact O-CA 3.48Å; M174-F177 WeakPolarHBondContact O-CB 3.35Å; M174-F177 PolarHBondContact O-N 3.04Å; E175-F177 VanDerWaalsContact C-N 3.32Å; E175-F177 PolarHBondContact O-N 2.73Å; F177-F180 HydrophobicContact CD2-CD1 4.49Å; F177-F180 PolarHBondContact O-N 3.42Å; F177-L181 HydrophobicContact CD1-CD1 4.19Å; F177-L181 HydrophobicContact CD2-CD1 3.78Å; F177-L181 HydrophobicContact CD2-CD2 4.34Å; F177-L181 HydrophobicContact CD2-CG 3.76Å; F177-L181 HydrophobicContact CE1-CD1 3.98Å; F177-L181 HydrophobicContact CE2-CD1 3.55Å; F177-L181 HydrophobicContact CE2-CD2 3.67Å; F177-L181 HydrophobicContact CE2-CG 3.57Å; F177-L181 HydrophobicContact CG-CD1 4.12Å; F177-L181 HydrophobicContact CZ-CD1 3.67Å; F177-L181 HydrophobicContact CZ-CD2 4.19Å; F177-L181 HydrophobicContact CZ-CG 4.17Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 VanDerWaalsContact O-CG 3.25Å; F177-L181 WeakPolarHBondContact O-CG 3.48Å; F177-L181 PolarHBondContact O-N 3.45Å; F177-V193 HydrophobicContact CD1-CG1 4.15Å; F177-V193 HydrophobicContact CD1-CG2 3.95Å; F177-V193 HydrophobicContact CE1-CG2 3.67Å
178	V	79.5	Confident	76.6	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-50.6	173.3	173.3	0	0	0	0	110.6	M174 E175 F180 L181 I182 V193 L194 I197	M174-V178 PolarHBondContact O-N 2.86Å; E175-V178 PolarHBondContact O-N 3.25Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 PolarHBondContact O-N 3.24Å; V178-L181 PolarHBondContact O-N 3.12Å; V178-L181 VanDerWaalsContact O-N 3.13Å; V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 HydrophobicContact CG1-CG1 4.45Å; V178-I182 VanDerWaalsContact O-CG1 3.27Å; V178-I182 WeakPolarHBondContact O-CG1 3.26Å; V178-I182 PolarHBondContact O-N 3.5Å; V178-V193 HydrophobicContact CG2-CB 4.23Å; V178-V193 HydrophobicContact CG2-CG1 3.66Å; V178-L194 HydrophobicContact CG1-CD1 3.81Å; V178-L194 HydrophobicContact CG1-CD2 4.12Å; V178-L194 HydrophobicContact CG1-CG 3.85Å; V178-L194 HydrophobicContact CG2-CD2 4.19Å; V178-L194 HydrophobicContact CG2-CG 3.94Å; V178-I197 HydrophobicContact CG2-CD1 3.94Å
179	N	82.1	Confident	76.5	Confident	45 Å²	45	39.9 Å²	39.9	24%	0.241	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-43.3	176.9	-71	-27.5	0	0	0	112	E175 I182 Q183 E207	E175-N179 WeakPolarHBondContact O-CB 3.45Å; E175-N179 PolarHBondContact O-N 2.69Å; E175-N179 PolarHBondContact O-ND2 3.42Å; N179-I182 PolarHBondContact O-N 3.31Å; N179-Q183 VanDerWaalsContact O-CG 3.31Å; N179-Q183 WeakPolarHBondContact O-CG 3.37Å; N179-Q183 PolarHBondContact O-N 2.89Å; N179-E207 PolarHBondContact ND2-OE1 3.37Å; N179-E207 PolarHBondContact ND2-OE2 3.06Å
180	F	79.3	Confident	76.8	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-43.9	174.7	175.7	-90	0	0	0	112.6	C159 Y163 R176 F177 V178 Q183 H184	C159-F180 HydrophobicContact CB-CE1 4.1Å; C159-F180 HydrophobicContact CB-CZ 3.54Å; Y163-F180 AromaticContact CD2-CD1 3.79Å; Y163-F180 HydrophobicContact CD2-CD1 3.79Å; Y163-F180 HydrophobicContact CD2-CD2 4.19Å; Y163-F180 AromaticContact CD2-CE1 3.87Å; Y163-F180 HydrophobicContact CD2-CE1 3.87Å; Y163-F180 HydrophobicContact CD2-CE2 4.24Å; Y163-F180 AromaticContact CD2-CG 3.98Å; Y163-F180 HydrophobicContact CD2-CG 3.98Å; Y163-F180 HydrophobicContact CD2-CZ 4.12Å; Y163-F180 HydrophobicContact CE1-CB 4.07Å; Y163-F180 HydrophobicContact CE1-CG 4.23Å; Y163-F180 HydrophobicContact CE2-CB 4.21Å; Y163-F180 AromaticContact CE2-CD1 3.78Å; Y163-F180 HydrophobicContact CE2-CD1 3.78Å; Y163-F180 AromaticContact CE2-CD2 3.32Å; Y163-F180 HydrophobicContact CE2-CD2 3.32Å; Y163-F180 AromaticContact CE2-CE1 3.97Å; Y163-F180 HydrophobicContact CE2-CE1 3.97Å; Y163-F180 AromaticContact CE2-CE2 3.52Å; Y163-F180 HydrophobicContact CE2-CE2 3.52Å; Y163-F180 AromaticContact CE2-CG 3.48Å; Y163-F180 HydrophobicContact CE2-CG 3.48Å; Y163-F180 VanDerWaalsContact CE2-CG 3.48Å; Y163-F180 AromaticContact CE2-CZ 3.86Å; Y163-F180 HydrophobicContact CE2-CZ 3.86Å; Y163-F180 HydrophobicContact CG-CD1 4.34Å; Y163-F180 AromaticContact CZ-CD2 3.56Å; Y163-F180 AromaticContact CZ-CG 3.63Å; R176-F180 VanDerWaalsContact O-CB 3.32Å; R176-F180 WeakPolarHBondContact O-CB 3.36Å; R176-F180 PolarHBondContact O-N 2.67Å; F177-F180 HydrophobicContact CD2-CD1 4.49Å; F177-F180 PolarHBondContact O-N 3.42Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 PolarHBondContact O-N 3.24Å; F180-Q183 PolarHBondContact O-N 3.41Å; F180-H184 AromaticContact CD2-CD2 3.62Å; F180-H184 AromaticContact CD2-NE2 3.82Å; F180-H184 AromaticContact CE1-CD2 3.65Å; F180-H184 AromaticContact CE2-CD2 3.24Å; F180-H184 WeakPolarHBondContact CE2-CD2 3.31Å; F180-H184 AromaticContact CE2-NE2 3.22Å; F180-H184 WeakPolarHBondContact CE2-NE2 3.46Å; F180-H184 AromaticContact CG-CD2 3.97Å; F180-H184 AromaticContact CZ-CD2 3.22Å; F180-H184 WeakPolarHBondContact CZ-CD2 3.23Å; F180-H184 AromaticContact CZ-NE2 3.56Å; F180-H184 PolarHBondContact O-CD2 2.93Å; F180-H184 VanDerWaalsContact O-CD2 3.31Å; F180-H184 PolarHBondContact O-N 2.85Å
181	L	78.3	Confident	77.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-37.6	178.9	-70.3	168.5	0	0	0	112.2	V160 F177 V178 H184 G185 N186 E189 A190 V193	V160-L181 HydrophobicContact CG2-CD2 3.91Å; F177-L181 HydrophobicContact CD1-CD1 4.19Å; F177-L181 HydrophobicContact CD2-CD1 3.78Å; F177-L181 HydrophobicContact CD2-CD2 4.34Å; F177-L181 HydrophobicContact CD2-CG 3.76Å; F177-L181 HydrophobicContact CE1-CD1 3.98Å; F177-L181 HydrophobicContact CE2-CD1 3.55Å; F177-L181 HydrophobicContact CE2-CD2 3.67Å; F177-L181 HydrophobicContact CE2-CG 3.57Å; F177-L181 HydrophobicContact CG-CD1 4.12Å; F177-L181 HydrophobicContact CZ-CD1 3.67Å; F177-L181 HydrophobicContact CZ-CD2 4.19Å; F177-L181 HydrophobicContact CZ-CG 4.17Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 VanDerWaalsContact O-CG 3.25Å; F177-L181 WeakPolarHBondContact O-CG 3.48Å; F177-L181 PolarHBondContact O-N 3.45Å; V178-L181 PolarHBondContact O-N 3.12Å; V178-L181 VanDerWaalsContact O-N 3.13Å; L181-H184 CarbonylContact O-C 3.59Å; L181-H184 PolarHBondContact O-N 3Å; L181-G185 PolarHBondContact O-N 3.19Å; L181-N186 HydrophobicContact CB-CB 4.42Å; L181-N186 HydrophobicContact CD2-CB 3.8Å; L181-N186 PolarHBondContact O-N 3.12Å; L181-E189 HydrophobicContact CD1-CB 3.79Å; L181-E189 HydrophobicContact CD2-CB 3.91Å; L181-E189 WeakPolarHBondContact CD2-OE2 3.27Å; L181-E189 HydrophobicContact CG-CB 4.42Å; L181-A190 HydrophobicContact CB-CB 3.86Å; L181-A190 HydrophobicContact CD1-CB 4.4Å; L181-V193 HydrophobicContact CD1-CG2 4.36Å
182	I	80.7	Confident	77.7	Confident	71 Å²	71	35.7 Å²	35.7	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-63.1	-49.1	173.4	-64	165	0	0	0	110.2	V178 N179 H184 G185 A190 L221	V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 HydrophobicContact CG1-CG1 4.45Å; V178-I182 VanDerWaalsContact O-CG1 3.27Å; V178-I182 WeakPolarHBondContact O-CG1 3.26Å; V178-I182 PolarHBondContact O-N 3.5Å; N179-I182 PolarHBondContact O-N 3.31Å; I182-H184 VanDerWaalsContact C-N 3.26Å; I182-H184 PolarHBondContact O-N 3.24Å; I182-G185 PolarHBondContact O-N 3.47Å; I182-A190 HydrophobicContact CG1-CB 4.17Å; I182-L221 HydrophobicContact CD1-CD1 3.87Å; I182-L221 HydrophobicContact CD1-CD2 4.09Å; I182-L221 HydrophobicContact CG1-CD1 4.12Å; I182-L221 HydrophobicContact CG1-CD2 3.87Å; I182-L221 HydrophobicContact CG2-CD2 4.46Å
183	Q	82.1	Confident	78.2	Confident	153 Å²	153	31.8 Å²	31.8	72%	0.715	17%	0.168	S	C	*	.	H	α-helix	trans	-60.5	-33.1	178.9	-73.4	174.2	9.8	0	0	113.1	N179 F180	N179-Q183 VanDerWaalsContact O-CG 3.31Å; N179-Q183 WeakPolarHBondContact O-CG 3.37Å; N179-Q183 PolarHBondContact O-N 2.89Å; F180-Q183 PolarHBondContact O-N 3.41Å
184	H	70.7	Confident	78.6	Confident	33 Å²	33	31 Å²	31	15%	0.153	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	6.2	176.3	-70.8	-59.8	0	0	0	114.7	F180 L181 I182 N186	F180-H184 AromaticContact CD2-CD2 3.62Å; F180-H184 AromaticContact CD2-NE2 3.82Å; F180-H184 AromaticContact CE1-CD2 3.65Å; F180-H184 AromaticContact CE2-CD2 3.24Å; F180-H184 WeakPolarHBondContact CE2-CD2 3.31Å; F180-H184 AromaticContact CE2-NE2 3.22Å; F180-H184 WeakPolarHBondContact CE2-NE2 3.46Å; F180-H184 AromaticContact CG-CD2 3.97Å; F180-H184 AromaticContact CZ-CD2 3.22Å; F180-H184 WeakPolarHBondContact CZ-CD2 3.23Å; F180-H184 AromaticContact CZ-NE2 3.56Å; F180-H184 PolarHBondContact O-CD2 2.93Å; F180-H184 VanDerWaalsContact O-CD2 3.31Å; F180-H184 PolarHBondContact O-N 2.85Å; L181-H184 CarbonylContact O-C 3.59Å; L181-H184 PolarHBondContact O-N 3Å; I182-H184 VanDerWaalsContact C-N 3.26Å; I182-H184 PolarHBondContact O-N 3.24Å; H184-N186 VanDerWaalsContact C-N 3.29Å; H184-N186 PolarHBondContact O-N 3.38Å
185	G	71.4	Confident	78.9	Confident	44 Å²	44	31.4 Å²	31.4	45%	0.454	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	4.8	174.1	0	0	0	0	0	115.8	L181 I182 A187	L181-G185 PolarHBondContact O-N 3.19Å; I182-G185 PolarHBondContact O-N 3.47Å; G185-A187 PolarHBondContact O-N 3.22Å
186	N	76.2	Confident	79.2	Confident	46 Å²	46	36.1 Å²	36.1	25%	0.246	19%	0.19	C	C	.	.			trans	-78.6	57.6	178.5	-79.3	24.8	0	0	0	111.3	L181 H184 N188 E189 A190	L181-N186 HydrophobicContact CB-CB 4.42Å; L181-N186 HydrophobicContact CD2-CB 3.8Å; L181-N186 PolarHBondContact O-N 3.12Å; H184-N186 VanDerWaalsContact C-N 3.29Å; H184-N186 PolarHBondContact O-N 3.38Å; N186-N188 PolarHBondContact O-N 2.77Å; N186-N188 VanDerWaalsContact O-N 3.16Å; N186-E189 PolarHBondContact ND2-OE2 2.67Å; N186-E189 PolarHBondContact O-N 3.46Å; N186-E189 VanDerWaalsContact O-N 3.16Å; N186-A190 PolarHBondContact O-N 3.14Å; N186-A190 VanDerWaalsContact O-N 3.11Å
187	A	77	Confident	79.2	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.033	18%	0.176	C	C	.	.	H	α-helix	trans	-55	-34.6	-175.7	0	0	0	0	0	113.5	G185 A190 A191 N225 I229	G185-A187 PolarHBondContact O-N 3.22Å; A187-A190 PolarHBondContact O-N 3.01Å; A187-A191 WeakPolarHBondContact O-CB 3.37Å; A187-A191 PolarHBondContact O-N 3.42Å; A187-N225 HydrophobicContact CB-CB 4.02Å; A187-I229 HydrophobicContact CB-CD1 4.24Å; A187-I229 HydrophobicContact CB-CG1 4.2Å
188	N	79.2	Confident	79	Confident	47 Å²	47	32.7 Å²	32.7	25%	0.251	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-46.9	179.4	-56.4	25.9	0	0	0	111.9	N186 A191 V192 K228	N186-N188 PolarHBondContact O-N 2.77Å; N186-N188 VanDerWaalsContact O-N 3.16Å; N188-A191 PolarHBondContact O-N 2.86Å; N188-V192 WeakPolarHBondContact O-CG2 3.42Å; N188-V192 PolarHBondContact O-N 3.35Å; N188-K228 PolarHBondContact ND2-O 2.82Å; N188-K228 PolarHBondContact OD1-O 3.43Å
189	E	76.7	Confident	78.9	Confident	42 Å²	42	36.6 Å²	36.6	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-38	177.9	-61.9	-170.3	109.8	0	0	110.5	V160 R164 L181 N186 A191 V192 V193	V160-E189 WeakPolarHBondContact CG1-OE1 3.26Å; R164-E189 IonicContact CZ-OE1 3.81Å; R164-E189 IonicContact NE-OE1 3.58Å; R164-E189 IonicContact NH2-OE1 2.74Å; R164-E189 PolarHBondContact NH2-OE1 2.64Å; L181-E189 HydrophobicContact CD1-CB 3.79Å; L181-E189 HydrophobicContact CD2-CB 3.91Å; L181-E189 WeakPolarHBondContact CD2-OE2 3.27Å; L181-E189 HydrophobicContact CG-CB 4.42Å; N186-E189 PolarHBondContact ND2-OE2 2.67Å; N186-E189 PolarHBondContact O-N 3.46Å; N186-E189 VanDerWaalsContact O-N 3.16Å; E189-A191 VanDerWaalsContact C-N 3.34Å; E189-A191 PolarHBondContact O-N 2.73Å; E189-V192 PolarHBondContact O-N 2.92Å; E189-V193 WeakPolarHBondContact O-CB 3.26Å; E189-V193 VanDerWaalsContact O-CG2 3.27Å; E189-V193 WeakPolarHBondContact O-CG2 3.4Å; E189-V193 PolarHBondContact O-N 2.89Å
190	A	81.5	Confident	78.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-43.2	176.1	0	0	0	0	0	111.4	L181 I182 N186 A187 L194 L221	L181-A190 HydrophobicContact CB-CB 3.86Å; L181-A190 HydrophobicContact CD1-CB 4.4Å; I182-A190 HydrophobicContact CG1-CB 4.17Å; N186-A190 PolarHBondContact O-N 3.14Å; N186-A190 VanDerWaalsContact O-N 3.11Å; A187-A190 PolarHBondContact O-N 3.01Å; A190-L194 WeakPolarHBondContact O-CB 3.31Å; A190-L194 WeakPolarHBondContact O-CG 3.4Å; A190-L194 PolarHBondContact O-N 3.3Å; A190-L221 HydrophobicContact CB-CD1 4.48Å
191	A	81.5	Confident	78.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-39.3	178.4	0	0	0	0	0	112.5	A187 N188 E189 S195 L218 I229 L232	A187-A191 WeakPolarHBondContact O-CB 3.37Å; A187-A191 PolarHBondContact O-N 3.42Å; N188-A191 PolarHBondContact O-N 2.86Å; E189-A191 VanDerWaalsContact C-N 3.34Å; E189-A191 PolarHBondContact O-N 2.73Å; A191-S195 WeakPolarHBondContact O-CB 3.49Å; A191-S195 PolarHBondContact O-N 3.49Å; A191-L218 HydrophobicContact CB-CD1 3.78Å; A191-I229 HydrophobicContact CB-CD1 4.12Å; A191-I229 HydrophobicContact CB-CG2 4.11Å; A191-L232 HydrophobicContact CB-CD1 3.91Å; A191-L232 WeakPolarHBondContact O-CD1 3.28Å
192	V	83.6	Confident	77.7	Confident	43 Å²	43	50 Å²	50	26%	0.261	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-50	173.9	171.6	0	0	0	0	111	N188 E189 L194 S195 E196 L232	N188-V192 WeakPolarHBondContact O-CG2 3.42Å; N188-V192 PolarHBondContact O-N 3.35Å; E189-V192 PolarHBondContact O-N 2.92Å; V192-L194 VanDerWaalsContact C-N 3.32Å; V192-L194 PolarHBondContact O-N 3.44Å; V192-S195 CarbonylContact O-C 3.58Å; V192-S195 WeakPolarHBondContact O-CA 3.18Å; V192-S195 PolarHBondContact O-N 3.38Å; V192-S195 PolarHBondContact O-OG 2.7Å; V192-E196 PolarHBondContact O-N 3.08Å; V192-L232 HydrophobicContact CG2-CD1 4.13Å; V192-L232 HydrophobicContact CG2-CD2 4.47Å; V192-L232 HydrophobicContact CG2-CG 4.1Å
193	V	81.2	Confident	77	Confident	12 Å²	12	47.4 Å²	47.4	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-39.7	178.4	172.9	0	0	0	0	111.4	F177 V178 L181 E189 E196 I197	F177-V193 HydrophobicContact CD1-CG1 4.15Å; F177-V193 HydrophobicContact CD1-CG2 3.95Å; F177-V193 HydrophobicContact CE1-CG2 3.67Å; V178-V193 HydrophobicContact CG2-CB 4.23Å; V178-V193 HydrophobicContact CG2-CG1 3.66Å; L181-V193 HydrophobicContact CD1-CG2 4.36Å; E189-V193 WeakPolarHBondContact O-CB 3.26Å; E189-V193 VanDerWaalsContact O-CG2 3.27Å; E189-V193 WeakPolarHBondContact O-CG2 3.4Å; E189-V193 PolarHBondContact O-N 2.89Å; V193-E196 PolarHBondContact O-N 3.19Å; V193-I197 HydrophobicContact CG1-CD1 3.98Å; V193-I197 WeakPolarHBondContact O-CD1 3.37Å; V193-I197 VanDerWaalsContact O-CG1 3.25Å; V193-I197 WeakPolarHBondContact O-CG1 3.3Å; V193-I197 PolarHBondContact O-N 3.27Å
194	L	82	Confident	76.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-40.2	171.6	-79.9	167	0	0	0	112.3	V178 A190 V192 E196 I197 I198 L214 L218 L221	V178-L194 HydrophobicContact CG1-CD1 3.81Å; V178-L194 HydrophobicContact CG1-CD2 4.12Å; V178-L194 HydrophobicContact CG1-CG 3.85Å; V178-L194 HydrophobicContact CG2-CD2 4.19Å; V178-L194 HydrophobicContact CG2-CG 3.94Å; A190-L194 WeakPolarHBondContact O-CB 3.31Å; A190-L194 WeakPolarHBondContact O-CG 3.4Å; A190-L194 PolarHBondContact O-N 3.3Å; V192-L194 VanDerWaalsContact C-N 3.32Å; V192-L194 PolarHBondContact O-N 3.44Å; L194-E196 VanDerWaalsContact C-N 3.28Å; L194-E196 PolarHBondContact O-N 3.04Å; L194-I197 HydrophobicContact CD2-CD1 4.31Å; L194-I197 PolarHBondContact O-N 3.34Å; L194-I198 HydrophobicContact CB-CD1 4.46Å; L194-I198 VanDerWaalsContact O-CB 3.28Å; L194-I198 WeakPolarHBondContact O-CB 3.43Å; L194-I198 VanDerWaalsContact O-CD1 3.3Å; L194-I198 WeakPolarHBondContact O-CD1 3.25Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.49Å; L194-I198 PolarHBondContact O-N 2.96Å; L194-L214 HydrophobicContact CD2-CD2 4.27Å; L194-L218 HydrophobicContact CB-CB 4.19Å; L194-L218 HydrophobicContact CB-CD1 4.08Å; L194-L218 HydrophobicContact CB-CD2 4.48Å; L194-L218 HydrophobicContact CB-CG 4.49Å; L194-L218 HydrophobicContact CD1-CB 4.17Å; L194-L218 HydrophobicContact CD1-CD1 4.44Å; L194-L221 HydrophobicContact CD1-CD1 3.47Å; L194-L221 VanDerWaalsContact CD1-CD1 3.47Å
195	S	79.6	Confident	75.9	Confident	20 Å²	20	47.3 Å²	47.3	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-27.4	175.7	75.8	0	0	0	0	113.3	A191 V192 N199	A191-S195 WeakPolarHBondContact O-CB 3.49Å; A191-S195 PolarHBondContact O-N 3.49Å; V192-S195 CarbonylContact O-C 3.58Å; V192-S195 WeakPolarHBondContact O-CA 3.18Å; V192-S195 PolarHBondContact O-N 3.38Å; V192-S195 PolarHBondContact O-OG 2.7Å; S195-N199 PolarHBondContact O-N 3.11Å; S195-N199 PolarHBondContact O-ND2 2.86Å
196	E	82.1	Confident	75.7	Confident	104 Å²	104	53.9 Å²	53.9	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-53.1	169.6	-68	172.2	162.3	0	0	109.6	V192 V193 L194 I198 N199 D200	V192-E196 PolarHBondContact O-N 3.08Å; V193-E196 PolarHBondContact O-N 3.19Å; L194-E196 VanDerWaalsContact C-N 3.28Å; L194-E196 PolarHBondContact O-N 3.04Å; E196-I198 VanDerWaalsContact C-N 3.25Å; E196-I198 PolarHBondContact O-N 3.18Å; E196-N199 PolarHBondContact O-N 2.85Å; E196-D200 PolarHBondContact O-N 2.98Å
197	I	78.4	Confident	75.1	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-52.6	-38.9	175.6	-67.7	163.3	0	0	0	113	M174 V178 V193 L194 N199 F203 L214	M174-I197 HydrophobicContact CB-CD1 3.87Å; M174-I197 HydrophobicContact CB-CG1 4.15Å; M174-I197 HydrophobicContact CE-CG1 3.85Å; M174-I197 HydrophobicContact SD-CG1 3.95Å; V178-I197 HydrophobicContact CG2-CD1 3.94Å; V193-I197 HydrophobicContact CG1-CD1 3.98Å; V193-I197 WeakPolarHBondContact O-CD1 3.37Å; V193-I197 VanDerWaalsContact O-CG1 3.25Å; V193-I197 WeakPolarHBondContact O-CG1 3.3Å; V193-I197 PolarHBondContact O-N 3.27Å; L194-I197 HydrophobicContact CD2-CD1 4.31Å; L194-I197 PolarHBondContact O-N 3.34Å; I197-N199 VanDerWaalsContact C-N 3.31Å; I197-N199 PolarHBondContact O-N 3.41Å; I197-F203 HydrophobicContact CG2-CD1 3.51Å; I197-F203 HydrophobicContact CG2-CE1 3.79Å; I197-F203 HydrophobicContact CG2-CG 3.96Å; I197-F203 HydrophobicContact CG2-CZ 4.49Å; I197-L214 HydrophobicContact CG2-CD1 3.98Å
198	I	76	Confident	75	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.062	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.2	-177.4	-77.2	160.1	0	0	0	113	L194 E196 W215 L218 R244	L194-I198 HydrophobicContact CB-CD1 4.46Å; L194-I198 VanDerWaalsContact O-CB 3.28Å; L194-I198 WeakPolarHBondContact O-CB 3.43Å; L194-I198 VanDerWaalsContact O-CD1 3.3Å; L194-I198 WeakPolarHBondContact O-CD1 3.25Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.49Å; L194-I198 PolarHBondContact O-N 2.96Å; E196-I198 VanDerWaalsContact C-N 3.25Å; E196-I198 PolarHBondContact O-N 3.18Å; I198-W215 HydrophobicContact CD1-CB 4.22Å; I198-W215 HydrophobicContact CD1-CG 4.35Å; I198-L218 HydrophobicContact CD1-CB 3.94Å; I198-L218 HydrophobicContact CD1-CD2 3.58Å; I198-L218 HydrophobicContact CD1-CG 4.41Å; I198-R244 PolarHBondContact O-NH1 3.41Å
199	N	76.6	Confident	74.8	Confident	84 Å²	84	58.9 Å²	58.9	45%	0.449	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-19.4	175.9	-71.6	-55.5	0	0	0	113.2	S195 E196 I197 D201 R244	S195-N199 PolarHBondContact O-N 3.11Å; S195-N199 PolarHBondContact O-ND2 2.86Å; E196-N199 PolarHBondContact O-N 2.85Å; I197-N199 VanDerWaalsContact C-N 3.31Å; I197-N199 PolarHBondContact O-N 3.41Å; N199-D201 PolarHBondContact O-N 3.47Å; N199-R244 PolarHBondContact OD1-NH2 3.23Å
200	D	78	Confident	74.9	Confident	83 Å²	83	59.4 Å²	59.4	44%	0.444	33%	0.325	S	S	.	.			trans	-75.8	99.1	171	-83.5	-13.9	0	0	0	111	E196 S202 F203	E196-D200 PolarHBondContact O-N 2.98Å; D200-S202 PolarHBondContact O-N 2.88Å; D200-S202 VanDerWaalsContact O-N 3.16Å; D200-F203 HydrophobicContact CB-CB 4.38Å; D200-F203 PolarHBondContact O-N 3.25Å; D200-F203 VanDerWaalsContact O-N 3.09Å
201	D	67.8	Low	74.7	Confident	139 Å²	139	62.8 Å²	62.8	74%	0.743	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.6	-177.7	-93.9	-39.2	0	0	0	114	N199 F203 K211	N199-D201 PolarHBondContact O-N 3.47Å; D201-F203 VanDerWaalsContact C-N 3.32Å; D201-F203 PolarHBondContact O-N 3.35Å; D201-K211 PolarHBondContact O-NZ 2.93Å; D201-K211 IonicContact OD1-NZ 3.74Å; D201-K211 PolarHBondContact OD1-NZ 3.47Å
202	S	69.3	Low	74.5	Confident	111 Å²	111	64.5 Å²	64.5	78%	0.776	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.3	178	52.9	0	0	0	0	115.3	D200 M204	D200-S202 PolarHBondContact O-N 2.88Å; D200-S202 VanDerWaalsContact O-N 3.16Å; S202-M204 PolarHBondContact O-N 3.02Å
203	F	67.1	Low	74.4	Confident	15 Å²	15	67.1 Å²	67.1	7%	0.066	36%	0.357	C	S	.	.			trans	-71.5	123.6	-179.6	-176.2	-97.8	0	0	0	111.9	P171 M174 E175 I197 D200 D201 L214	P171-F203 WeakPolarHBondContact O-CE2 3.37Å; M174-F203 HydrophobicContact CB-CE2 4.17Å; M174-F203 HydrophobicContact CE-CD2 3.6Å; M174-F203 HydrophobicContact CE-CE2 3.86Å; E175-F203 HydrophobicContact CG-CE1 4.36Å; E175-F203 HydrophobicContact CG-CZ 3.99Å; I197-F203 HydrophobicContact CG2-CD1 3.51Å; I197-F203 HydrophobicContact CG2-CE1 3.79Å; I197-F203 HydrophobicContact CG2-CG 3.96Å; I197-F203 HydrophobicContact CG2-CZ 4.49Å; D200-F203 HydrophobicContact CB-CB 4.38Å; D200-F203 PolarHBondContact O-N 3.25Å; D200-F203 VanDerWaalsContact O-N 3.09Å; D201-F203 VanDerWaalsContact C-N 3.32Å; D201-F203 PolarHBondContact O-N 3.35Å; F203-L214 HydrophobicContact CD1-CD1 4.35Å; F203-L214 HydrophobicContact CE1-CD1 4.02Å
204	M	63.8	Low	74.3	Confident	155 Å²	155	66.7 Å²	66.7	76%	0.764	35%	0.354	S	S	*	.			trans	-114.9	122.9	166	-63.5	-163.1	-60.7	0	0	109.3	S202	S202-M204 PolarHBondContact O-N 3.02Å
205	S	65.7	Low	74.2	Confident	29 Å²	29	66.8 Å²	66.8	20%	0.203	36%	0.355	C	S	.	.			trans	-61.7	131.3	176.5	52	0	0	0	0	111.9	E175 E207 G208 K209	E175-S205 VanDerWaalsContact CD-CB 3.48Å; E175-S205 WeakPolarHBondContact OE1-CB 3.25Å; E175-S205 WeakPolarHBondContact OE2-CA 3.23Å; E175-S205 WeakPolarHBondContact OE2-CB 3.44Å; S205-E207 VanDerWaalsContact C-N 3.34Å; S205-G208 PolarHBondContact O-N 3.24Å; S205-G208 VanDerWaalsContact OG-C 3.28Å; S205-G208 WeakPolarHBondContact OG-CA 3.45Å; S205-G208 PolarHBondContact OG-N 3.36Å; S205-K209 WeakPolarHBondContact CB-O 3.48Å; S205-K209 PolarHBondContact OG-N 2.9Å; S205-K209 PolarHBondContact OG-O 3.36Å
206	R	67	Low	74.4	Confident	183 Å²	183	67.5 Å²	67.5	69%	0.691	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.7	170	-166.3	177	-174.9	173.3	7	112.1	D173 E175 G208	D173-R206 WeakPolarHBondContact OD1-CD 3.32Å; D173-R206 IonicContact OD1-CZ 3.99Å; D173-R206 IonicContact OD1-NE 2.69Å; D173-R206 IonicContact OD1-NH1 2.71Å; D173-R206 PolarHBondContact OD1-NH1 3.38Å; D173-R206 IonicContact OD2-NH1 3.57Å; D173-R206 PolarHBondContact OD2-NH1 2.92Å; E175-R206 PolarHBondContact OE2-N 3.27Å; R206-G208 PolarHBondContact O-N 3.29Å
207	E	63.9	Low	74.4	Confident	96 Å²	96	65 Å²	65	45%	0.449	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.3	171.5	-61	179.7	176.3	0	0	112.5	E175 N179 S205 K209	E175-E207 HydrophobicContact CB-CG 4.39Å; E175-E207 WeakPolarHBondContact OE2-CB 3.39Å; E175-E207 PolarHBondContact OE2-N 3Å; N179-E207 PolarHBondContact ND2-OE1 3.37Å; N179-E207 PolarHBondContact ND2-OE2 3.06Å; S205-E207 VanDerWaalsContact C-N 3.34Å; E207-K209 HydrophobicContact CB-CD 4.14Å; E207-K209 HydrophobicContact CB-CG 4.34Å; E207-K209 PolarHBondContact O-N 3.29Å; E207-K209 VanDerWaalsContact OE2-CE 3.24Å; E207-K209 WeakPolarHBondContact OE2-CE 3.43Å; E207-K209 IonicContact OE2-NZ 2.72Å; E207-K209 PolarHBondContact OE2-NZ 3.19Å
208	G	75.3	Confident	74.5	Confident	64 Å²	64	64.9 Å²	64.9	66%	0.66	34%	0.344	S	S	*	.			trans	70.6	7.9	177.4	0	0	0	0	0	115.5	S205 R206	S205-G208 PolarHBondContact O-N 3.24Å; S205-G208 VanDerWaalsContact OG-C 3.28Å; S205-G208 WeakPolarHBondContact OG-CA 3.45Å; S205-G208 PolarHBondContact OG-N 3.36Å; R206-G208 PolarHBondContact O-N 3.29Å
209	K	74	Confident	74.7	Confident	42 Å²	42	64.4 Å²	64.4	18%	0.183	34%	0.342	C	S	.	.			trans	-67.6	130.9	-178.2	-71.3	163.7	168	173.8	0	112	E175 S205 E207 Q213 L214	E175-K209 VanDerWaalsContact OE1-CD 3.3Å; E175-K209 WeakPolarHBondContact OE1-CD 3.32Å; S205-K209 WeakPolarHBondContact CB-O 3.48Å; S205-K209 PolarHBondContact OG-N 2.9Å; S205-K209 PolarHBondContact OG-O 3.36Å; E207-K209 HydrophobicContact CB-CD 4.14Å; E207-K209 HydrophobicContact CB-CG 4.34Å; E207-K209 PolarHBondContact O-N 3.29Å; E207-K209 VanDerWaalsContact OE2-CE 3.24Å; E207-K209 WeakPolarHBondContact OE2-CE 3.43Å; E207-K209 IonicContact OE2-NZ 2.72Å; E207-K209 PolarHBondContact OE2-NZ 3.19Å; K209-Q213 VanDerWaalsContact CA-OE1 3.3Å; K209-Q213 HydrophobicContact CB-CB 4.45Å; K209-L214 HydrophobicContact CB-CD2 4.28Å; K209-L214 HydrophobicContact CB-CG 4.12Å; K209-L214 HydrophobicContact CD-CD2 4.11Å
210	S	79.1	Confident	74.9	Confident	53 Å²	53	64.2 Å²	64.2	37%	0.371	34%	0.341	S	S	.	.			trans	-66.2	153.9	175.2	77.2	0	0	0	0	111.7	F212 Q213 L214	S210-F212 PolarHBondContact O-N 3.48Å; S210-F212 VanDerWaalsContact O-N 3.14Å; S210-Q213 VanDerWaalsContact N-OE1 3.11Å; S210-Q213 WeakPolarHBondContact O-CA 3.47Å; S210-Q213 WeakPolarHBondContact O-CB 3.25Å; S210-Q213 PolarHBondContact O-N 2.99Å; S210-Q213 WeakPolarHBondContact OG-CG 3.38Å; S210-Q213 PolarHBondContact OG-N 2.72Å; S210-Q213 VanDerWaalsContact OG-N 3.12Å; S210-L214 PolarHBondContact O-N 3.25Å
211	K	76.8	Confident	75	Confident	70 Å²	70	61.1 Å²	61.1	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-55.3	-33	175.1	-65.4	-166.5	-177.7	-170.1	0	111.9	D201 L214 W215	D201-K211 PolarHBondContact O-NZ 2.93Å; D201-K211 IonicContact OD1-NZ 3.74Å; D201-K211 PolarHBondContact OD1-NZ 3.47Å; K211-L214 PolarHBondContact O-N 2.99Å; K211-W215 VanDerWaalsContact O-CB 3.27Å; K211-W215 WeakPolarHBondContact O-CB 3.5Å; K211-W215 PolarHBondContact O-N 2.89Å
212	F	76.9	Confident	75.5	Confident	37 Å²	37	54.5 Å²	54.5	16%	0.162	29%	0.289	C	S	.	.	H	α-helix	trans	-68.5	-38.9	172.9	-179.1	-107.5	0	0	0	113.2	S210 W215 N216 Y245 Q248 L252	S210-F212 PolarHBondContact O-N 3.48Å; S210-F212 VanDerWaalsContact O-N 3.14Å; F212-W215 PolarHBondContact O-N 3.49Å; F212-N216 WeakPolarHBondContact CE1-ND2 3.35Å; F212-N216 VanDerWaalsContact CZ-ND2 3.26Å; F212-N216 WeakPolarHBondContact CZ-ND2 3.26Å; F212-N216 WeakPolarHBondContact O-CB 3.16Å; F212-N216 PolarHBondContact O-N 3.2Å; F212-Y245 HydrophobicContact CB-CE1 4.18Å; F212-Y245 HydrophobicContact CD2-CD1 4.06Å; F212-Y245 AromaticContact CD2-CD2 3.83Å; F212-Y245 HydrophobicContact CD2-CD2 3.83Å; F212-Y245 HydrophobicContact CD2-CE1 4.38Å; F212-Y245 HydrophobicContact CD2-CE2 4.15Å; F212-Y245 AromaticContact CD2-CG 3.77Å; F212-Y245 HydrophobicContact CD2-CG 3.77Å; F212-Y245 HydrophobicContact CE2-CD2 4.41Å; F212-Y245 HydrophobicContact CE2-CG 4.31Å; F212-Q248 HydrophobicContact CZ-CB 3.91Å; F212-Q248 HydrophobicContact CZ-CG 4.25Å; F212-Q248 VanDerWaalsContact CZ-OE1 3.24Å; F212-L252 HydrophobicContact CE2-CD2 3.91Å; F212-L252 HydrophobicContact CZ-CD2 4.15Å
213	Q	82.1	Confident	76	Confident	97 Å²	97	49.5 Å²	49.5	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-66.2	-37.2	173.5	-74.2	170.5	-10.1	0	0	112.5	K209 S210 W215 Q217	K209-Q213 VanDerWaalsContact CA-OE1 3.3Å; K209-Q213 HydrophobicContact CB-CB 4.45Å; S210-Q213 VanDerWaalsContact N-OE1 3.11Å; S210-Q213 WeakPolarHBondContact O-CA 3.47Å; S210-Q213 WeakPolarHBondContact O-CB 3.25Å; S210-Q213 PolarHBondContact O-N 2.99Å; S210-Q213 WeakPolarHBondContact OG-CG 3.38Å; S210-Q213 PolarHBondContact OG-N 2.72Å; S210-Q213 VanDerWaalsContact OG-N 3.12Å; Q213-W215 VanDerWaalsContact C-N 3.34Å; Q213-Q217 WeakPolarHBondContact O-CB 3.44Å; Q213-Q217 VanDerWaalsContact O-CG 3.31Å; Q213-Q217 WeakPolarHBondContact O-CG 3.39Å; Q213-Q217 PolarHBondContact O-N 2.94Å; Q213-Q217 PolarHBondContact O-NE2 3.35Å
214	L	78.1	Confident	76.6	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-66.9	-37.5	172.6	-68.7	167.3	0	0	0	111.3	E175 L194 I197 F203 K209 S210 K211 Q217 L218	E175-L214 HydrophobicContact CG-CD2 4.36Å; L194-L214 HydrophobicContact CD2-CD2 4.27Å; I197-L214 HydrophobicContact CG2-CD1 3.98Å; F203-L214 HydrophobicContact CD1-CD1 4.35Å; F203-L214 HydrophobicContact CE1-CD1 4.02Å; K209-L214 HydrophobicContact CB-CD2 4.28Å; K209-L214 HydrophobicContact CB-CG 4.12Å; K209-L214 HydrophobicContact CD-CD2 4.11Å; S210-L214 PolarHBondContact O-N 3.25Å; K211-L214 PolarHBondContact O-N 2.99Å; L214-Q217 WeakPolarHBondContact O-CB 3.25Å; L214-Q217 PolarHBondContact O-N 3.48Å; L214-L218 PolarHBondContact O-N 3.29Å
215	W	81.4	Confident	76.8	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-67.7	-41.2	175.1	-162.3	87.9	0	0	0	112.7	I198 K211 F212 Q213 Q217 L218 C219 I237 I238 Y245 L252	I198-W215 HydrophobicContact CD1-CB 4.22Å; I198-W215 HydrophobicContact CD1-CG 4.35Å; K211-W215 VanDerWaalsContact O-CB 3.27Å; K211-W215 WeakPolarHBondContact O-CB 3.5Å; K211-W215 PolarHBondContact O-N 2.89Å; F212-W215 PolarHBondContact O-N 3.49Å; Q213-W215 VanDerWaalsContact C-N 3.34Å; W215-Q217 VanDerWaalsContact C-N 3.33Å; W215-Q217 PolarHBondContact O-N 2.91Å; W215-L218 WeakPolarHBondContact O-CB 3.44Å; W215-L218 PolarHBondContact O-N 3Å; W215-C219 VanDerWaalsContact CE3-SG 3.57Å; W215-C219 WeakPolarHBondContact CH2-SG 3.4Å; W215-C219 WeakPolarHBondContact CZ3-SG 3.24Å; W215-C219 PolarHBondContact O-N 3.28Å; W215-C219 PolarHBondContact O-SG 3Å; W215-I237 WeakPolarHBondContact CZ2-O 3.45Å; W215-I238 HydrophobicContact CH2-CB 4.39Å; W215-I238 HydrophobicContact CH2-CG2 4.05Å; W215-I238 WeakPolarHBondContact CH2-O 3.38Å; W215-Y245 HydrophobicContact CB-CE2 4.11Å; W215-Y245 HydrophobicContact CD2-CD2 4.41Å; W215-Y245 HydrophobicContact CD2-CE2 4.24Å; W215-Y245 AromaticContact CG-CE2 3.93Å; W215-Y245 HydrophobicContact CG-CE2 3.93Å; W215-L252 HydrophobicContact CE3-CD2 4.28Å; W215-L252 HydrophobicContact CH2-CB 4.25Å; W215-L252 HydrophobicContact CH2-CD1 4.12Å; W215-L252 HydrophobicContact CH2-CG 4.5Å; W215-L252 HydrophobicContact CZ3-CB 4.09Å; W215-L252 HydrophobicContact CZ3-CD1 3.74Å; W215-L252 HydrophobicContact CZ3-CD2 3.6Å; W215-L252 HydrophobicContact CZ3-CG 3.96Å
216	N	82.8	Confident	77	Confident	35 Å²	35	48.9 Å²	48.9	19%	0.187	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-31.7	171.1	-76.3	-7.8	0	0	0	112.5	F212 N220	F212-N216 WeakPolarHBondContact CE1-ND2 3.35Å; F212-N216 VanDerWaalsContact CZ-ND2 3.26Å; F212-N216 WeakPolarHBondContact CZ-ND2 3.26Å; F212-N216 WeakPolarHBondContact O-CB 3.16Å; F212-N216 PolarHBondContact O-N 3.2Å; N216-N220 VanDerWaalsContact O-CB 3.26Å; N216-N220 WeakPolarHBondContact O-CB 3.23Å; N216-N220 PolarHBondContact O-N 3.43Å; N216-N220 PolarHBondContact O-ND2 3.26Å
217	Q	81.8	Confident	77	Confident	50 Å²	50	47.7 Å²	47.7	23%	0.234	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-42.3	170	-79.8	160.6	67.3	0	0	111.1	Q213 L214 W215 N220 L221	Q213-Q217 WeakPolarHBondContact O-CB 3.44Å; Q213-Q217 VanDerWaalsContact O-CG 3.31Å; Q213-Q217 WeakPolarHBondContact O-CG 3.39Å; Q213-Q217 PolarHBondContact O-N 2.94Å; Q213-Q217 PolarHBondContact O-NE2 3.35Å; L214-Q217 WeakPolarHBondContact O-CB 3.25Å; L214-Q217 PolarHBondContact O-N 3.48Å; W215-Q217 VanDerWaalsContact C-N 3.33Å; W215-Q217 PolarHBondContact O-N 2.91Å; Q217-N220 PolarHBondContact O-N 2.97Å; Q217-L221 WeakPolarHBondContact O-CD1 3.49Å; Q217-L221 VanDerWaalsContact O-CG 3.25Å; Q217-L221 WeakPolarHBondContact O-CG 3.35Å; Q217-L221 PolarHBondContact O-N 2.79Å
218	L	81.6	Confident	77.1	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-49.6	172.8	177.3	57.3	0	0	0	111.6	A191 L194 I198 L214 W215 N220 L221 L222 I237	A191-L218 HydrophobicContact CB-CD1 3.78Å; L194-L218 HydrophobicContact CB-CB 4.19Å; L194-L218 HydrophobicContact CB-CD1 4.08Å; L194-L218 HydrophobicContact CB-CD2 4.48Å; L194-L218 HydrophobicContact CB-CG 4.49Å; L194-L218 HydrophobicContact CD1-CB 4.17Å; L194-L218 HydrophobicContact CD1-CD1 4.44Å; I198-L218 HydrophobicContact CD1-CB 3.94Å; I198-L218 HydrophobicContact CD1-CD2 3.58Å; I198-L218 HydrophobicContact CD1-CG 4.41Å; L214-L218 PolarHBondContact O-N 3.29Å; W215-L218 WeakPolarHBondContact O-CB 3.44Å; W215-L218 PolarHBondContact O-N 3Å; L218-N220 PolarHBondContact O-N 2.85Å; L218-L221 PolarHBondContact O-N 3Å; L218-L222 HydrophobicContact CD1-CD1 4.08Å; L218-L222 HydrophobicContact CD1-CG 4.13Å; L218-L222 HydrophobicContact CG-CD1 3.98Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 2.97Å; L218-I237 HydrophobicContact CD2-CG2 3.87Å
219	C	79.9	Confident	76.7	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-43.9	179	-61.9	0	0	0	0	111.7	W215 L221 L222 V223	W215-C219 VanDerWaalsContact CE3-SG 3.57Å; W215-C219 WeakPolarHBondContact CH2-SG 3.4Å; W215-C219 WeakPolarHBondContact CZ3-SG 3.24Å; W215-C219 PolarHBondContact O-N 3.28Å; W215-C219 PolarHBondContact O-SG 3Å; C219-L221 VanDerWaalsContact C-N 3.27Å; C219-L221 PolarHBondContact O-N 3.11Å; C219-L222 PolarHBondContact O-N 3.42Å; C219-V223 WeakPolarHBondContact O-CB 3.1Å; C219-V223 VanDerWaalsContact O-CG2 3.28Å; C219-V223 WeakPolarHBondContact O-CG2 3.46Å; C219-V223 PolarHBondContact O-N 3.43Å
220	N	81.6	Confident	76.2	Confident	80 Å²	80	49.5 Å²	49.5	43%	0.428	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-34.4	173.1	-91.6	-90.4	0	0	0	113.2	N216 Q217 L218 K224	N216-N220 VanDerWaalsContact O-CB 3.26Å; N216-N220 WeakPolarHBondContact O-CB 3.23Å; N216-N220 PolarHBondContact O-N 3.43Å; N216-N220 PolarHBondContact O-ND2 3.26Å; Q217-N220 PolarHBondContact O-N 2.97Å; L218-N220 PolarHBondContact O-N 2.85Å; N220-K224 WeakPolarHBondContact O-CB 3.5Å; N220-K224 WeakPolarHBondContact O-CD 3.5Å; N220-K224 WeakPolarHBondContact O-CG 3.48Å; N220-K224 PolarHBondContact O-N 2.79Å
221	L	78.7	Confident	75.5	Confident	18 Å²	18	50.1 Å²	50.1	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-75.9	-37.7	178	-73	165.7	0	0	0	112.6	I182 A190 L194 Q217 L218 C219 K224 N225	I182-L221 HydrophobicContact CD1-CD1 3.87Å; I182-L221 HydrophobicContact CD1-CD2 4.09Å; I182-L221 HydrophobicContact CG1-CD1 4.12Å; I182-L221 HydrophobicContact CG1-CD2 3.87Å; I182-L221 HydrophobicContact CG2-CD2 4.46Å; A190-L221 HydrophobicContact CB-CD1 4.48Å; L194-L221 HydrophobicContact CD1-CD1 3.47Å; L194-L221 VanDerWaalsContact CD1-CD1 3.47Å; Q217-L221 WeakPolarHBondContact O-CD1 3.49Å; Q217-L221 VanDerWaalsContact O-CG 3.25Å; Q217-L221 WeakPolarHBondContact O-CG 3.35Å; Q217-L221 PolarHBondContact O-N 2.79Å; L218-L221 PolarHBondContact O-N 3Å; C219-L221 VanDerWaalsContact C-N 3.27Å; C219-L221 PolarHBondContact O-N 3.11Å; L221-K224 PolarHBondContact O-N 3.4Å; L221-N225 PolarHBondContact O-N 2.95Å; L221-N225 VanDerWaalsContact O-N 3.08Å; L221-N225 PolarHBondContact O-ND2 2.83Å
222	L	79.1	Confident	75.1	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-52.5	172.3	-67.1	166.6	0	0	0	110.2	L218 C219 K224 N225 I229 A234 I237 Y259	L218-L222 HydrophobicContact CD1-CD1 4.08Å; L218-L222 HydrophobicContact CD1-CG 4.13Å; L218-L222 HydrophobicContact CG-CD1 3.98Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 2.97Å; C219-L222 PolarHBondContact O-N 3.42Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-K224 PolarHBondContact O-N 3.09Å; L222-N225 CarbonylContact O-C 3.43Å; L222-N225 PolarHBondContact O-N 3.37Å; L222-I229 HydrophobicContact CD2-CD1 4Å; L222-I229 HydrophobicContact CD2-CG2 4.01Å; L222-A234 HydrophobicContact CB-CB 4.19Å; L222-A234 HydrophobicContact CD1-CB 4.03Å; L222-A234 HydrophobicContact CD2-CB 4.01Å; L222-A234 HydrophobicContact CG-CB 4.3Å; L222-I237 HydrophobicContact CD1-CG2 4.46Å; L222-Y259 HydrophobicContact CB-CD2 4.4Å
223	V	79.5	Confident	74.8	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-39	176	170.1	0	0	0	0	112.3	C219 S255 D258 R262	C219-V223 WeakPolarHBondContact O-CB 3.1Å; C219-V223 VanDerWaalsContact O-CG2 3.28Å; C219-V223 WeakPolarHBondContact O-CG2 3.46Å; C219-V223 PolarHBondContact O-N 3.43Å; V223-S255 WeakPolarHBondContact CG2-O 3.46Å; V223-D258 HydrophobicContact CG1-CB 4.13Å; V223-D258 WeakPolarHBondContact CG1-OD2 3.28Å; V223-D258 HydrophobicContact CG2-CB 4.43Å; V223-R262 WeakPolarHBondContact O-CD 3.3Å
224	K	78.8	Confident	74.5	Confident	132 Å²	132	50.3 Å²	50.3	57%	0.574	26%	0.258	S	S	*	.	H	α-helix	trans	-78.9	-16.2	180	-73.4	171.9	-174.2	176.5	0	114.7	N220 L221 L222	N220-K224 WeakPolarHBondContact O-CB 3.5Å; N220-K224 WeakPolarHBondContact O-CD 3.5Å; N220-K224 WeakPolarHBondContact O-CG 3.48Å; N220-K224 PolarHBondContact O-N 2.79Å; L221-K224 PolarHBondContact O-N 3.4Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-K224 PolarHBondContact O-N 3.09Å
225	N	69.7	Low	74.6	Confident	31 Å²	31	52 Å²	52	17%	0.166	27%	0.267	C	S	.	.			trans	-141.4	53.4	-177.8	-60.6	-92.4	0	0	0	114.7	A187 L221 L222 L227 K228 I229	A187-N225 HydrophobicContact CB-CB 4.02Å; L221-N225 PolarHBondContact O-N 2.95Å; L221-N225 VanDerWaalsContact O-N 3.08Å; L221-N225 PolarHBondContact O-ND2 2.83Å; L222-N225 CarbonylContact O-C 3.43Å; L222-N225 PolarHBondContact O-N 3.37Å; N225-L227 PolarHBondContact O-N 2.82Å; N225-K228 HydrophobicContact CB-CB 4.23Å; N225-K228 HydrophobicContact CB-CD 4.11Å; N225-K228 HydrophobicContact CB-CG 4.33Å; N225-K228 PolarHBondContact O-N 3.06Å; N225-K228 VanDerWaalsContact O-N 3.15Å; N225-K228 WeakPolarHBondContact OD1-CD 3.24Å; N225-K228 WeakPolarHBondContact OD1-CE 3.28Å; N225-K228 PolarHBondContact OD1-NZ 2.95Å; N225-I229 HydrophobicContact CB-CD1 4.19Å; N225-I229 HydrophobicContact CB-CG1 4.45Å; N225-I229 PolarHBondContact O-N 2.96Å
226	P	68.1	Low	74.7	Confident	22 Å²	22	55.1 Å²	55.1	14%	0.143	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-46.3	-172.5	-21.8	33.2	0	0	0	113.3	K228 Y259 R262 C263	P226-K228 VanDerWaalsContact C-N 3.26Å; P226-K228 PolarHBondContact O-N 3.24Å; P226-Y259 HydrophobicContact CB-CD2 4.17Å; P226-Y259 HydrophobicContact CB-CE2 3.73Å; P226-Y259 HydrophobicContact CG-CD2 4.21Å; P226-Y259 HydrophobicContact CG-CE2 4.25Å; P226-R262 HydrophobicContact CG-CB 3.84Å; P226-C263 VanDerWaalsContact CB-SG 3.51Å
227	L	68.5	Low	74.4	Confident	158 Å²	158	54.6 Å²	54.6	83%	0.827	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.7	-178.5	-62.1	179.4	0	0	0	114.7	N225	N225-L227 PolarHBondContact O-N 2.82Å
228	K	66	Low	74.4	Confident	109 Å²	109	52.2 Å²	52.2	47%	0.474	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-44.2	180	-59.7	-178.3	-168.7	156.7	0	110.7	N188 N225 P226 T230	N188-K228 PolarHBondContact ND2-O 2.82Å; N188-K228 PolarHBondContact OD1-O 3.43Å; N225-K228 HydrophobicContact CB-CB 4.23Å; N225-K228 HydrophobicContact CB-CD 4.11Å; N225-K228 HydrophobicContact CB-CG 4.33Å; N225-K228 PolarHBondContact O-N 3.06Å; N225-K228 VanDerWaalsContact O-N 3.15Å; N225-K228 WeakPolarHBondContact OD1-CD 3.24Å; N225-K228 WeakPolarHBondContact OD1-CE 3.28Å; N225-K228 PolarHBondContact OD1-NZ 2.95Å; P226-K228 VanDerWaalsContact C-N 3.26Å; P226-K228 PolarHBondContact O-N 3.24Å; K228-T230 VanDerWaalsContact C-N 3.32Å; K228-T230 PolarHBondContact O-N 3.4Å
229	I	65.1	Low	74.6	Confident	9 Å²	9	55 Å²	55	5%	0.046	28%	0.283	C	S	.	.			trans	-82	75.8	-165.8	-55.7	167.5	0	0	0	110.5	A187 A191 L222 N225 S231 L232	A187-I229 HydrophobicContact CB-CD1 4.24Å; A187-I229 HydrophobicContact CB-CG1 4.2Å; A191-I229 HydrophobicContact CB-CD1 4.12Å; A191-I229 HydrophobicContact CB-CG2 4.11Å; L222-I229 HydrophobicContact CD2-CD1 4Å; L222-I229 HydrophobicContact CD2-CG2 4.01Å; N225-I229 HydrophobicContact CB-CD1 4.19Å; N225-I229 HydrophobicContact CB-CG1 4.45Å; N225-I229 PolarHBondContact O-N 2.96Å; I229-S231 VanDerWaalsContact C-N 3.33Å; I229-L232 HydrophobicContact CG2-CB 4.17Å
230	T	64.4	Low	74.7	Confident	123 Å²	123	58.9 Å²	58.9	76%	0.755	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.5	176.8	53.5	0	0	0	0	113.9	K228	K228-T230 VanDerWaalsContact C-N 3.32Å; K228-T230 PolarHBondContact O-N 3.4Å
231	S	63.9	Low	74.5	Confident	65 Å²	65	55 Å²	55	46%	0.455	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.4	-173.2	51.8	0	0	0	0	114.8	I229	I229-S231 VanDerWaalsContact C-N 3.33Å
232	L	67.9	Low	74.6	Confident	36 Å²	36	55 Å²	55	19%	0.188	28%	0.281	C	S	.	.	S	Bend	trans	-135.6	130.6	-177.2	-68.2	177.5	0	0	0	109.9	A191 V192 I229 A234 I237	A191-L232 HydrophobicContact CB-CD1 3.91Å; A191-L232 WeakPolarHBondContact O-CD1 3.28Å; V192-L232 HydrophobicContact CG2-CD1 4.13Å; V192-L232 HydrophobicContact CG2-CD2 4.47Å; V192-L232 HydrophobicContact CG2-CG 4.1Å; I229-L232 HydrophobicContact CG2-CB 4.17Å; L232-A234 PolarHBondContact O-N 2.81Å; L232-I237 HydrophobicContact CB-CD1 3.87Å; L232-I237 HydrophobicContact CD1-CD1 4.03Å; L232-I237 HydrophobicContact CD2-CD1 4.2Å; L232-I237 HydrophobicContact CG-CD1 4.26Å
233	K	72.4	Confident	74.6	Confident	171 Å²	171	62.7 Å²	62.7	74%	0.743	32%	0.316	S	S	*	.			trans	-76.9	112.2	168.4	-62.6	-177.4	179.6	-177.7	0	107.9	D235 P236 I237	K233-D235 PolarHBondContact O-N 3.35Å; K233-P236 HydrophobicContact CB-CG 4.05Å; K233-I237 WeakPolarHBondContact O-CG1 3.18Å
234	A	75.8	Confident	74.6	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-42.2	-177.5	0	0	0	0	0	112.6	L222 L232 I237 I238 Y259	L222-A234 HydrophobicContact CB-CB 4.19Å; L222-A234 HydrophobicContact CD1-CB 4.03Å; L222-A234 HydrophobicContact CD2-CB 4.01Å; L222-A234 HydrophobicContact CG-CB 4.3Å; L232-A234 PolarHBondContact O-N 2.81Å; A234-I237 WeakPolarHBondContact O-CA 3.46Å; A234-I237 WeakPolarHBondContact O-CB 3.38Å; A234-I237 PolarHBondContact O-N 2.8Å; A234-I238 HydrophobicContact CB-CD1 4.34Å; A234-I238 WeakPolarHBondContact O-CG1 3.32Å; A234-I238 PolarHBondContact O-N 3.27Å; A234-Y259 HydrophobicContact CB-CD1 4.03Å; A234-Y259 HydrophobicContact CB-CD2 3.77Å; A234-Y259 HydrophobicContact CB-CE1 3.73Å; A234-Y259 HydrophobicContact CB-CE2 3.44Å; A234-Y259 VanDerWaalsContact CB-CE2 3.44Å; A234-Y259 HydrophobicContact CB-CG 4.05Å; A234-Y259 VanDerWaalsContact CB-CZ 3.43Å
235	D	79.8	Confident	74.5	Confident	39 Å²	39	63.5 Å²	63.5	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-57.5	-52.2	-173.4	173.5	106.4	0	0	0	113.5	K233 I237 I238 R239 L256 H260	K233-D235 PolarHBondContact O-N 3.35Å; D235-I237 VanDerWaalsContact C-N 3.27Å; D235-I237 PolarHBondContact O-N 3.14Å; D235-I238 PolarHBondContact O-N 2.94Å; D235-R239 VanDerWaalsContact CG-NE 3.32Å; D235-R239 WeakPolarHBondContact O-CB 3.39Å; D235-R239 VanDerWaalsContact O-CG 3.25Å; D235-R239 WeakPolarHBondContact O-CG 3.3Å; D235-R239 PolarHBondContact O-N 3.35Å; D235-R239 IonicContact OD1-CZ 2.65Å; D235-R239 IonicContact OD1-NE 2.66Å; D235-R239 PolarHBondContact OD1-NE 2.87Å; D235-R239 IonicContact OD1-NH2 3.81Å; D235-R239 VanDerWaalsContact OD2-CD 3.28Å; D235-R239 WeakPolarHBondContact OD2-CD 3.25Å; D235-R239 IonicContact OD2-CZ 2.65Å; D235-R239 IonicContact OD2-NE 3.62Å; D235-R239 PolarHBondContact OD2-NE 2.71Å; D235-L256 HydrophobicContact CB-CD1 4Å; D235-H260 IonicContact OD1-CE1 3.46Å; D235-H260 IonicContact OD1-NE2 3.31Å; D235-H260 PolarHBondContact OD1-NE2 3.5Å; D235-H260 VanDerWaalsContact OD1-NE2 3.16Å
236	P	82.3	Confident	74.8	Confident	68 Å²	68	66.5 Å²	66.5	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-31.3	171.4	-27.9	35.2	0	0	0	115.1	K233 Q240	K233-P236 HydrophobicContact CB-CG 4.05Å; P236-Q240 WeakPolarHBondContact O-CB 3.49Å; P236-Q240 PolarHBondContact O-N 2.7Å
237	I	78	Confident	75	Confident	24 Å²	24	72 Å²	72	12%	0.123	36%	0.363	C	S	.	.	H	α-helix	trans	-71.7	-47.8	179.1	-65.3	172.2	0	0	0	109.8	W215 L218 L222 L232 K233 A234 D235 Q240 G241	W215-I237 WeakPolarHBondContact CZ2-O 3.45Å; L218-I237 HydrophobicContact CD2-CG2 3.87Å; L222-I237 HydrophobicContact CD1-CG2 4.46Å; L232-I237 HydrophobicContact CB-CD1 3.87Å; L232-I237 HydrophobicContact CD1-CD1 4.03Å; L232-I237 HydrophobicContact CD2-CD1 4.2Å; L232-I237 HydrophobicContact CG-CD1 4.26Å; K233-I237 WeakPolarHBondContact O-CG1 3.18Å; A234-I237 WeakPolarHBondContact O-CA 3.46Å; A234-I237 WeakPolarHBondContact O-CB 3.38Å; A234-I237 PolarHBondContact O-N 2.8Å; D235-I237 VanDerWaalsContact C-N 3.27Å; D235-I237 PolarHBondContact O-N 3.14Å; I237-Q240 WeakPolarHBondContact O-CB 3.36Å; I237-Q240 PolarHBondContact O-N 3.41Å; I237-Q240 VanDerWaalsContact O-N 3.14Å; I237-G241 PolarHBondContact O-N 3.01Å; I237-G241 VanDerWaalsContact O-N 3.14Å
238	I	81.7	Confident	75.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-42.8	-179.5	-60.7	168.4	0	0	0	109.9	W215 A234 D235 Q240 G241 I242 L252 L256	W215-I238 HydrophobicContact CH2-CB 4.39Å; W215-I238 HydrophobicContact CH2-CG2 4.05Å; W215-I238 WeakPolarHBondContact CH2-O 3.38Å; A234-I238 HydrophobicContact CB-CD1 4.34Å; A234-I238 WeakPolarHBondContact O-CG1 3.32Å; A234-I238 PolarHBondContact O-N 3.27Å; D235-I238 PolarHBondContact O-N 2.94Å; I238-Q240 VanDerWaalsContact C-N 3.35Å; I238-Q240 PolarHBondContact O-N 3.12Å; I238-G241 PolarHBondContact O-N 3.08Å; I238-G241 VanDerWaalsContact O-N 3.1Å; I238-I242 HydrophobicContact CG2-CD1 4.28Å; I238-I242 PolarHBondContact O-N 2.85Å; I238-L252 WeakPolarHBondContact CG2-O 3.28Å; I238-L256 HydrophobicContact CB-CD1 4.19Å; I238-L256 HydrophobicContact CD1-CB 4.5Å; I238-L256 HydrophobicContact CD1-CD1 3.95Å; I238-L256 HydrophobicContact CG2-CB 3.82Å; I238-L256 HydrophobicContact CG2-CD1 4.42Å; I238-L256 HydrophobicContact CG2-CG 4.47Å
239	R	84.3	Confident	76.1	Confident	59 Å²	59	64.6 Å²	64.6	22%	0.223	33%	0.327	C	S	.	.	H	α-helix	trans	-57.8	-41.3	170.5	-69.4	170.4	-178.6	-76.1	-6.1	112.9	D235 G241 I242 H243 L256 E275	D235-R239 VanDerWaalsContact CG-NE 3.32Å; D235-R239 WeakPolarHBondContact O-CB 3.39Å; D235-R239 VanDerWaalsContact O-CG 3.25Å; D235-R239 WeakPolarHBondContact O-CG 3.3Å; D235-R239 PolarHBondContact O-N 3.35Å; D235-R239 IonicContact OD1-CZ 2.65Å; D235-R239 IonicContact OD1-NE 2.66Å; D235-R239 PolarHBondContact OD1-NE 2.87Å; D235-R239 IonicContact OD1-NH2 3.81Å; D235-R239 VanDerWaalsContact OD2-CD 3.28Å; D235-R239 WeakPolarHBondContact OD2-CD 3.25Å; D235-R239 IonicContact OD2-CZ 2.65Å; D235-R239 IonicContact OD2-NE 3.62Å; D235-R239 PolarHBondContact OD2-NE 2.71Å; R239-G241 VanDerWaalsContact C-N 3.27Å; R239-G241 PolarHBondContact O-N 2.89Å; R239-I242 PolarHBondContact O-N 3.25Å; R239-H243 PolarHBondContact O-CD2 3.27Å; R239-H243 PolarHBondContact O-N 3.35Å; R239-H243 VanDerWaalsContact O-N 3.11Å; R239-L256 HydrophobicContact CG-CD2 4.19Å; R239-E275 IonicContact CZ-OE1 2.81Å; R239-E275 IonicContact CZ-OE2 3.93Å; R239-E275 VanDerWaalsContact CZ-OE2 3.25Å; R239-E275 IonicContact NH1-OE1 2.66Å; R239-E275 PolarHBondContact NH1-OE1 2.92Å; R239-E275 IonicContact NH1-OE2 2.69Å; R239-E275 PolarHBondContact NH1-OE2 3.18Å; R239-E275 IonicContact NH2-OE1 3.05Å; R239-E275 IonicContact NH2-OE2 3.29Å; R239-E275 PolarHBondContact NH2-OE2 3.48Å
240	Q	82.9	Confident	77	Confident	84 Å²	84	64.2 Å²	64.2	39%	0.393	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-34.5	175.6	-169.8	-179.7	35.1	0	0	112.4	P236 I237 I238 R244	P236-Q240 WeakPolarHBondContact O-CB 3.49Å; P236-Q240 PolarHBondContact O-N 2.7Å; I237-Q240 WeakPolarHBondContact O-CB 3.36Å; I237-Q240 PolarHBondContact O-N 3.41Å; I237-Q240 VanDerWaalsContact O-N 3.14Å; I238-Q240 VanDerWaalsContact C-N 3.35Å; I238-Q240 PolarHBondContact O-N 3.12Å; Q240-R244 WeakPolarHBondContact O-CG 3.2Å; Q240-R244 PolarHBondContact O-N 3.28Å; Q240-R244 VanDerWaalsContact O-N 3.11Å
241	G	78.5	Confident	77.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-75.7	-34.6	174.5	0	0	0	0	0	114.1	I237 I238 R239 H243 R244 Y245	I237-G241 PolarHBondContact O-N 3.01Å; I237-G241 VanDerWaalsContact O-N 3.14Å; I238-G241 PolarHBondContact O-N 3.08Å; I238-G241 VanDerWaalsContact O-N 3.1Å; R239-G241 VanDerWaalsContact C-N 3.27Å; R239-G241 PolarHBondContact O-N 2.89Å; G241-H243 PolarHBondContact O-N 2.84Å; G241-R244 CarbonylContact O-C 3.43Å; G241-R244 PolarHBondContact O-N 2.76Å; G241-Y245 WeakPolarHBondContact O-CB 3.4Å; G241-Y245 PolarHBondContact O-N 2.89Å
242	I	79.8	Confident	78.9	Confident	18 Å²	18	58.2 Å²	58.2	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-56	-39.3	170	-70.1	159.6	0	0	0	110.5	I238 R239 V249 L252 W253	I238-I242 HydrophobicContact CG2-CD1 4.28Å; I238-I242 PolarHBondContact O-N 2.85Å; R239-I242 PolarHBondContact O-N 3.25Å; I242-V249 HydrophobicContact CG2-CG1 4.12Å; I242-L252 HydrophobicContact CD1-CB 4.36Å; I242-L252 HydrophobicContact CG1-CB 3.7Å; I242-L252 HydrophobicContact CG1-CD1 4.2Å; I242-W253 HydrophobicContact CD1-CD2 3.69Å; I242-W253 HydrophobicContact CD1-CE3 3.9Å; I242-W253 HydrophobicContact CD1-CG 4.2Å; I242-W253 HydrophobicContact CD1-CH2 4.27Å; I242-W253 HydrophobicContact CD1-CZ2 4.08Å; I242-W253 HydrophobicContact CD1-CZ3 4.2Å; I242-W253 HydrophobicContact CG2-CZ2 4.21Å
243	H	79.5	Confident	80	Confident	161 Å²	161	56.9 Å²	56.9	75%	0.745	28%	0.278	S	S	*	.	H	α-helix	trans	-76.5	-22.4	173.5	-65.1	-57.3	0	0	0	115.2	R239 G241	R239-H243 PolarHBondContact O-CD2 3.27Å; R239-H243 PolarHBondContact O-N 3.35Å; R239-H243 VanDerWaalsContact O-N 3.11Å; G241-H243 PolarHBondContact O-N 2.84Å
244	R	79.2	Confident	80.7	Confident	101 Å²	101	50.5 Å²	50.5	38%	0.381	25%	0.252	S	S	.	.	H	α-helix	trans	-90.3	-26.4	178	-74.4	-174.8	-167.7	-171.1	11.7	113.8	I198 N199 Q240 G241	I198-R244 PolarHBondContact O-NH1 3.41Å; N199-R244 PolarHBondContact OD1-NH2 3.23Å; Q240-R244 WeakPolarHBondContact O-CG 3.2Å; Q240-R244 PolarHBondContact O-N 3.28Å; Q240-R244 VanDerWaalsContact O-N 3.11Å; G241-R244 CarbonylContact O-C 3.43Å; G241-R244 PolarHBondContact O-N 2.76Å
245	Y	76.2	Confident	81	Confident	55 Å²	55	51.4 Å²	51.4	22%	0.216	26%	0.258	C	S	.	.			trans	-130.3	81.9	-169.9	-60.8	-62	0	0	0	110.6	F212 W215 G241 D247 V249	F212-Y245 HydrophobicContact CB-CE1 4.18Å; F212-Y245 HydrophobicContact CD2-CD1 4.06Å; F212-Y245 AromaticContact CD2-CD2 3.83Å; F212-Y245 HydrophobicContact CD2-CD2 3.83Å; F212-Y245 HydrophobicContact CD2-CE1 4.38Å; F212-Y245 HydrophobicContact CD2-CE2 4.15Å; F212-Y245 AromaticContact CD2-CG 3.77Å; F212-Y245 HydrophobicContact CD2-CG 3.77Å; F212-Y245 HydrophobicContact CE2-CD2 4.41Å; F212-Y245 HydrophobicContact CE2-CG 4.31Å; W215-Y245 HydrophobicContact CB-CE2 4.11Å; W215-Y245 HydrophobicContact CD2-CD2 4.41Å; W215-Y245 HydrophobicContact CD2-CE2 4.24Å; W215-Y245 AromaticContact CG-CE2 3.93Å; W215-Y245 HydrophobicContact CG-CE2 3.93Å; G241-Y245 WeakPolarHBondContact O-CB 3.4Å; G241-Y245 PolarHBondContact O-N 2.89Å; Y245-D247 PolarHBondContact O-N 3.24Å; Y245-V249 WeakPolarHBondContact O-CG2 3.36Å
246	T	76.2	Confident	81.4	Confident	94 Å²	94	49.5 Å²	49.5	58%	0.577	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-62.2	-18.4	179.9	39.9	0	0	0	0	114.9	V249	T246-V249 WeakPolarHBondContact O-CG2 3.42Å
247	D	71.7	Confident	81.6	Confident	136 Å²	136	46.3 Å²	46.3	73%	0.727	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-94.6	-9.4	-157.8	-52.3	-8.3	0	0	0	113.9	Y245	Y245-D247 PolarHBondContact O-N 3.24Å
248	Q	75.4	Confident	82	Confident	94 Å²	94	47.8 Å²	47.8	44%	0.439	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-144.4	34.5	179.6	-60.9	-168.1	9.9	0	0	111.9	F212 G250 V251 L252	F212-Q248 HydrophobicContact CZ-CB 3.91Å; F212-Q248 HydrophobicContact CZ-CG 4.25Å; F212-Q248 VanDerWaalsContact CZ-OE1 3.24Å; Q248-G250 PolarHBondContact O-N 3.4Å; Q248-G250 VanDerWaalsContact O-N 3.17Å; Q248-V251 PolarHBondContact O-N 2.92Å; Q248-V251 VanDerWaalsContact O-N 3.15Å; Q248-L252 WeakPolarHBondContact O-CG 3.45Å
249	V	83.6	Confident	82.2	Confident	19 Å²	19	49.5 Å²	49.5	12%	0.115	24%	0.242	C	C	.	.	H	α-helix	trans	-55.9	-33.9	-170.5	164.4	0	0	0	0	113.2	I242 Y245 T246 V251 L252 W253 V280 D285	I242-V249 HydrophobicContact CG2-CG1 4.12Å; Y245-V249 WeakPolarHBondContact O-CG2 3.36Å; T246-V249 WeakPolarHBondContact O-CG2 3.42Å; V249-V251 PolarHBondContact O-N 3Å; V249-L252 PolarHBondContact O-N 3.25Å; V249-L252 VanDerWaalsContact O-N 3.12Å; V249-W253 VanDerWaalsContact CG1-NE1 3.33Å; V249-W253 PolarHBondContact O-N 3.02Å; V249-V280 HydrophobicContact CG1-CG2 4.14Å; V249-D285 PolarHBondContact N-OD1 2.92Å; V249-D285 VanDerWaalsContact N-OD1 3.1Å
250	G	82.7	Confident	82.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-39.7	178.8	0	0	0	0	0	113.6	Q248 L252 W253 N254 D285	Q248-G250 PolarHBondContact O-N 3.4Å; Q248-G250 VanDerWaalsContact O-N 3.17Å; G250-L252 PolarHBondContact O-N 3.1Å; G250-W253 PolarHBondContact O-N 3.38Å; G250-N254 WeakPolarHBondContact O-CB 3.25Å; G250-N254 VanDerWaalsContact O-CG 3.24Å; G250-N254 PolarHBondContact O-N 3.46Å; G250-N254 PolarHBondContact O-OD1 2.85Å; G250-D285 PolarHBondContact N-OD1 3.15Å
251	V	85.3	Confident	82.4	Confident	61 Å²	61	45.5 Å²	45.5	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-61.8	-34.5	174.9	-179.4	0	0	0	0	111	Q248 V249 S255	Q248-V251 PolarHBondContact O-N 2.92Å; Q248-V251 VanDerWaalsContact O-N 3.15Å; V249-V251 PolarHBondContact O-N 3Å; V251-S255 PolarHBondContact O-N 2.91Å
252	L	84.6	Confident	82.8	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-79.9	-41.4	-175.3	-35.6	-174.9	0	0	0	110.9	F212 W215 I238 I242 Q248 V249 G250 S255 L256	F212-L252 HydrophobicContact CE2-CD2 3.91Å; F212-L252 HydrophobicContact CZ-CD2 4.15Å; W215-L252 HydrophobicContact CE3-CD2 4.28Å; W215-L252 HydrophobicContact CH2-CB 4.25Å; W215-L252 HydrophobicContact CH2-CD1 4.12Å; W215-L252 HydrophobicContact CH2-CG 4.5Å; W215-L252 HydrophobicContact CZ3-CB 4.09Å; W215-L252 HydrophobicContact CZ3-CD1 3.74Å; W215-L252 HydrophobicContact CZ3-CD2 3.6Å; W215-L252 HydrophobicContact CZ3-CG 3.96Å; I238-L252 WeakPolarHBondContact CG2-O 3.28Å; I242-L252 HydrophobicContact CD1-CB 4.36Å; I242-L252 HydrophobicContact CG1-CB 3.7Å; I242-L252 HydrophobicContact CG1-CD1 4.2Å; Q248-L252 WeakPolarHBondContact O-CG 3.45Å; V249-L252 PolarHBondContact O-N 3.25Å; V249-L252 VanDerWaalsContact O-N 3.12Å; G250-L252 PolarHBondContact O-N 3.1Å; L252-S255 PolarHBondContact O-N 3.4Å; L252-S255 PolarHBondContact O-OG 3.42Å; L252-L256 PolarHBondContact O-N 3.37Å
253	W	90	Very high	82.9	Confident	8 Å²	8	52.4 Å²	52.4	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-45.7	169.2	-78	123.7	0	0	0	112.1	I242 V249 G250 S255 L256 A257 V272 E275 A276 S279 V289	I242-W253 HydrophobicContact CD1-CD2 3.69Å; I242-W253 HydrophobicContact CD1-CE3 3.9Å; I242-W253 HydrophobicContact CD1-CG 4.2Å; I242-W253 HydrophobicContact CD1-CH2 4.27Å; I242-W253 HydrophobicContact CD1-CZ2 4.08Å; I242-W253 HydrophobicContact CD1-CZ3 4.2Å; I242-W253 HydrophobicContact CG2-CZ2 4.21Å; V249-W253 VanDerWaalsContact CG1-NE1 3.33Å; V249-W253 PolarHBondContact O-N 3.02Å; G250-W253 PolarHBondContact O-N 3.38Å; W253-S255 VanDerWaalsContact C-N 3.27Å; W253-S255 PolarHBondContact O-N 2.88Å; W253-L256 HydrophobicContact CE3-CD2 4.05Å; W253-L256 HydrophobicContact CZ3-CD2 3.87Å; W253-L256 WeakPolarHBondContact O-CB 3.42Å; W253-L256 PolarHBondContact O-N 3.3Å; W253-A257 PolarHBondContact O-N 2.97Å; W253-V272 HydrophobicContact CE3-CG1 3.84Å; W253-V272 HydrophobicContact CZ3-CG1 4.16Å; W253-E275 HydrophobicContact CH2-CB 4.21Å; W253-E275 HydrophobicContact CH2-CG 3.75Å; W253-E275 HydrophobicContact CZ2-CG 4.45Å; W253-E275 HydrophobicContact CZ3-CB 4.34Å; W253-E275 HydrophobicContact CZ3-CG 4.32Å; W253-A276 HydrophobicContact CB-CB 3.7Å; W253-A276 HydrophobicContact CD2-CB 3.45Å; W253-A276 VanDerWaalsContact CD2-CB 3.45Å; W253-A276 HydrophobicContact CE3-CB 3.91Å; W253-A276 HydrophobicContact CG-CB 3.34Å; W253-S279 VanDerWaalsContact CZ2-OG 3.24Å; W253-S279 WeakPolarHBondContact CZ2-OG 3.35Å; W253-S279 PolarHBondContact NE1-OG 3.24Å; W253-V289 HydrophobicContact CB-CG2 4.06Å
254	N	87	Confident	83	Confident	38 Å²	38	53.2 Å²	53.2	20%	0.203	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-41.2	174.8	-71.3	0.9	0	0	0	110.3	G250 L256 A257 D258 Q288 A292	G250-N254 WeakPolarHBondContact O-CB 3.25Å; G250-N254 VanDerWaalsContact O-CG 3.24Å; G250-N254 PolarHBondContact O-N 3.46Å; G250-N254 PolarHBondContact O-OD1 2.85Å; N254-L256 VanDerWaalsContact C-N 3.32Å; N254-L256 PolarHBondContact O-N 2.79Å; N254-A257 PolarHBondContact O-N 3.2Å; N254-D258 WeakPolarHBondContact O-CB 3.46Å; N254-D258 PolarHBondContact O-N 3.04Å; N254-Q288 PolarHBondContact ND2-O 3.34Å; N254-A292 WeakPolarHBondContact ND2-CB 3.31Å
255	S	83.6	Confident	83.3	Confident	19 Å²	19	50.8 Å²	50.8	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-28.2	174.4	82.8	0	0	0	0	114.5	V223 V251 L252 W253 Y259	V223-S255 WeakPolarHBondContact CG2-O 3.46Å; V251-S255 PolarHBondContact O-N 2.91Å; L252-S255 PolarHBondContact O-N 3.4Å; L252-S255 PolarHBondContact O-OG 3.42Å; W253-S255 VanDerWaalsContact C-N 3.27Å; W253-S255 PolarHBondContact O-N 2.88Å; S255-Y259 WeakPolarHBondContact O-CB 3.41Å; S255-Y259 PolarHBondContact O-N 3.15Å; S255-Y259 VanDerWaalsContact O-N 3.12Å
256	L	86.5	Confident	83.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73.8	-43.4	174.4	-173.5	51.4	0	0	0	111.3	D235 I238 R239 L252 W253 N254 Y259 H260 V272	D235-L256 HydrophobicContact CB-CD1 4Å; I238-L256 HydrophobicContact CB-CD1 4.19Å; I238-L256 HydrophobicContact CD1-CB 4.5Å; I238-L256 HydrophobicContact CD1-CD1 3.95Å; I238-L256 HydrophobicContact CG2-CB 3.82Å; I238-L256 HydrophobicContact CG2-CD1 4.42Å; I238-L256 HydrophobicContact CG2-CG 4.47Å; R239-L256 HydrophobicContact CG-CD2 4.19Å; L252-L256 PolarHBondContact O-N 3.37Å; W253-L256 HydrophobicContact CE3-CD2 4.05Å; W253-L256 HydrophobicContact CZ3-CD2 3.87Å; W253-L256 WeakPolarHBondContact O-CB 3.42Å; W253-L256 PolarHBondContact O-N 3.3Å; N254-L256 VanDerWaalsContact C-N 3.32Å; N254-L256 PolarHBondContact O-N 2.79Å; L256-Y259 WeakPolarHBondContact O-CB 3.21Å; L256-Y259 PolarHBondContact O-N 3.11Å; L256-H260 PolarHBondContact O-CD2 3.46Å; L256-H260 PolarHBondContact O-N 3.11Å; L256-H260 VanDerWaalsContact O-N 3.12Å; L256-V272 HydrophobicContact CB-CG1 3.93Å; L256-V272 HydrophobicContact CD2-CG1 3.95Å; L256-V272 HydrophobicContact CD2-CG2 4.1Å; L256-V272 HydrophobicContact CG-CG1 3.74Å; L256-V272 HydrophobicContact CG-CG2 4.08Å
257	A	87	Confident	84.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-48.9	174.2	0	0	0	0	0	110.7	W253 N254 Y259 H260 I261 V272 Y273	W253-A257 PolarHBondContact O-N 2.97Å; N254-A257 PolarHBondContact O-N 3.2Å; A257-Y259 PolarHBondContact O-N 3.35Å; A257-H260 PolarHBondContact O-N 3.14Å; A257-I261 VanDerWaalsContact O-CG1 3.24Å; A257-I261 WeakPolarHBondContact O-CG1 3.42Å; A257-I261 PolarHBondContact O-N 3.18Å; A257-V272 HydrophobicContact CB-CG1 4.18Å; A257-Y273 HydrophobicContact CB-CD1 4.23Å; A257-Y273 HydrophobicContact CB-CD2 4.01Å; A257-Y273 HydrophobicContact CB-CE1 3.74Å; A257-Y273 HydrophobicContact CB-CE2 3.49Å; A257-Y273 VanDerWaalsContact CB-CE2 3.49Å; A257-Y273 HydrophobicContact CB-CG 4.35Å
258	D	86.8	Confident	84.9	Confident	56 Å²	56	49.5 Å²	49.5	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-55.1	-36	176.2	-153	8.8	0	0	0	111.8	V223 N254 R262	V223-D258 HydrophobicContact CG1-CB 4.13Å; V223-D258 WeakPolarHBondContact CG1-OD2 3.28Å; V223-D258 HydrophobicContact CG2-CB 4.43Å; N254-D258 WeakPolarHBondContact O-CB 3.46Å; N254-D258 PolarHBondContact O-N 3.04Å; D258-R262 WeakPolarHBondContact O-CB 3.29Å; D258-R262 WeakPolarHBondContact O-CD 3.38Å; D258-R262 WeakPolarHBondContact O-CG 3.43Å; D258-R262 PolarHBondContact O-N 3.42Å; D258-R262 PolarHBondContact O-NE 3.32Å; D258-R262 IonicContact OD1-CZ 2.68Å; D258-R262 IonicContact OD1-NE 3.4Å; D258-R262 PolarHBondContact OD1-NE 2.78Å; D258-R262 IonicContact OD1-NH2 3.73Å; D258-R262 PolarHBondContact OD1-NH2 2.98Å; D258-R262 IonicContact OD2-CZ 3.86Å; D258-R262 IonicContact OD2-NE 3.57Å; D258-R262 IonicContact OD2-NH2 3.6Å; D258-R262 PolarHBondContact OD2-NH2 2.95Å
259	Y	84.8	Confident	85.6	Confident	35 Å²	35	45 Å²	45	14%	0.137	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-48.5	170.8	176.7	-93.9	0	0	0	113.1	L222 P226 A234 S255 L256 A257 R262 C263	L222-Y259 HydrophobicContact CB-CD2 4.4Å; P226-Y259 HydrophobicContact CB-CD2 4.17Å; P226-Y259 HydrophobicContact CB-CE2 3.73Å; P226-Y259 HydrophobicContact CG-CD2 4.21Å; P226-Y259 HydrophobicContact CG-CE2 4.25Å; A234-Y259 HydrophobicContact CB-CD1 4.03Å; A234-Y259 HydrophobicContact CB-CD2 3.77Å; A234-Y259 HydrophobicContact CB-CE1 3.73Å; A234-Y259 HydrophobicContact CB-CE2 3.44Å; A234-Y259 VanDerWaalsContact CB-CE2 3.44Å; A234-Y259 HydrophobicContact CB-CG 4.05Å; A234-Y259 VanDerWaalsContact CB-CZ 3.43Å; S255-Y259 WeakPolarHBondContact O-CB 3.41Å; S255-Y259 PolarHBondContact O-N 3.15Å; S255-Y259 VanDerWaalsContact O-N 3.12Å; L256-Y259 WeakPolarHBondContact O-CB 3.21Å; L256-Y259 PolarHBondContact O-N 3.11Å; A257-Y259 PolarHBondContact O-N 3.35Å; Y259-R262 PolarHBondContact O-N 3.26Å; Y259-C263 PolarHBondContact O-N 3.36Å; Y259-C263 VanDerWaalsContact O-N 3.1Å; Y259-C263 PolarHBondContact O-SG 3.14Å
260	H	86.1	Confident	85.8	Confident	15 Å²	15	45.6 Å²	45.6	7%	0.069	23%	0.227	C	C	.	.	H	α-helix	trans	-68.7	-37.5	179.6	-72.1	-70.4	0	0	0	113	D235 L256 A257 R262 C263 E264 N265 R268 A269	D235-H260 IonicContact OD1-CE1 3.46Å; D235-H260 IonicContact OD1-NE2 3.31Å; D235-H260 PolarHBondContact OD1-NE2 3.5Å; D235-H260 VanDerWaalsContact OD1-NE2 3.16Å; L256-H260 PolarHBondContact O-CD2 3.46Å; L256-H260 PolarHBondContact O-N 3.11Å; L256-H260 VanDerWaalsContact O-N 3.12Å; A257-H260 PolarHBondContact O-N 3.14Å; H260-R262 VanDerWaalsContact C-N 3.3Å; H260-R262 PolarHBondContact O-N 2.78Å; H260-C263 CarbonylContact O-C 3.59Å; H260-C263 WeakPolarHBondContact O-CA 3.35Å; H260-C263 WeakPolarHBondContact O-CB 3.21Å; H260-C263 PolarHBondContact O-N 3.02Å; H260-E264 PolarHBondContact O-N 2.85Å; H260-N265 PolarHBondContact O-N 3.19Å; H260-R268 HydrophobicContact CB-CB 4.27Å; H260-A269 HydrophobicContact CB-CB 4.36Å
261	I	86.8	Confident	86.1	Confident	44 Å²	44	50.5 Å²	50.5	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-46.6	172.2	-67.2	166.4	0	0	0	109.9	A257 C263 E264 A269 Y273 F296	A257-I261 VanDerWaalsContact O-CG1 3.24Å; A257-I261 WeakPolarHBondContact O-CG1 3.42Å; A257-I261 PolarHBondContact O-N 3.18Å; I261-C263 PolarHBondContact O-N 2.89Å; I261-E264 WeakPolarHBondContact O-CA 3.46Å; I261-E264 PolarHBondContact O-N 2.94Å; I261-A269 HydrophobicContact CD1-CB 4.4Å; I261-A269 HydrophobicContact CG1-CB 3.6Å; I261-Y273 HydrophobicContact CD1-CE2 4.4Å; I261-F296 HydrophobicContact CD1-CD2 3.52Å; I261-F296 HydrophobicContact CD1-CE2 3.79Å; I261-F296 HydrophobicContact CD1-CG 4.34Å; I261-F296 HydrophobicContact CG1-CD2 3.97Å; I261-F296 HydrophobicContact CG1-CE2 3.66Å; I261-F296 HydrophobicContact CG1-CZ 4.44Å
262	R	85.4	Confident	86.3	Confident	116 Å²	116	47.8 Å²	47.8	44%	0.438	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.3	178.3	-62.3	166.3	-166.2	-130.8	5.5	114.4	V223 P226 D258 Y259 H260 E264	V223-R262 WeakPolarHBondContact O-CD 3.3Å; P226-R262 HydrophobicContact CG-CB 3.84Å; D258-R262 WeakPolarHBondContact O-CB 3.29Å; D258-R262 WeakPolarHBondContact O-CD 3.38Å; D258-R262 WeakPolarHBondContact O-CG 3.43Å; D258-R262 PolarHBondContact O-N 3.42Å; D258-R262 PolarHBondContact O-NE 3.32Å; D258-R262 IonicContact OD1-CZ 2.68Å; D258-R262 IonicContact OD1-NE 3.4Å; D258-R262 PolarHBondContact OD1-NE 2.78Å; D258-R262 IonicContact OD1-NH2 3.73Å; D258-R262 PolarHBondContact OD1-NH2 2.98Å; D258-R262 IonicContact OD2-CZ 3.86Å; D258-R262 IonicContact OD2-NE 3.57Å; D258-R262 IonicContact OD2-NH2 3.6Å; D258-R262 PolarHBondContact OD2-NH2 2.95Å; Y259-R262 PolarHBondContact O-N 3.26Å; H260-R262 VanDerWaalsContact C-N 3.3Å; H260-R262 PolarHBondContact O-N 2.78Å; R262-E264 VanDerWaalsContact C-N 3.33Å
263	C	82.2	Confident	86.6	Confident	47 Å²	47	48.3 Å²	48.3	32%	0.318	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	12.3	164.4	-63.5	0	0	0	0	111.8	P226 Y259 H260 I261 N265	P226-C263 VanDerWaalsContact CB-SG 3.51Å; Y259-C263 PolarHBondContact O-N 3.36Å; Y259-C263 VanDerWaalsContact O-N 3.1Å; Y259-C263 PolarHBondContact O-SG 3.14Å; H260-C263 CarbonylContact O-C 3.59Å; H260-C263 WeakPolarHBondContact O-CA 3.35Å; H260-C263 WeakPolarHBondContact O-CB 3.21Å; H260-C263 PolarHBondContact O-N 3.02Å; I261-C263 PolarHBondContact O-N 2.89Å; C263-N265 PolarHBondContact O-N 3.49Å
264	E	81.3	Confident	86.4	Confident	178 Å²	178	49.8 Å²	49.8	83%	0.832	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	10.3	-177.1	-60.7	170.6	-179	0	0	113.6	H260 I261 R262 L266	H260-E264 PolarHBondContact O-N 2.85Å; I261-E264 WeakPolarHBondContact O-CA 3.46Å; I261-E264 PolarHBondContact O-N 2.94Å; R262-E264 VanDerWaalsContact C-N 3.33Å; E264-L266 PolarHBondContact O-N 3.19Å; E264-L266 VanDerWaalsContact O-N 3.14Å
265	N	86.2	Confident	86.5	Confident	51 Å²	51	51.7 Å²	51.7	27%	0.273	26%	0.261	S	S	.	.			trans	-93.9	69.9	-176.8	-158.9	-43.6	0	0	0	110.7	H260 C263 A267 R268 A269	H260-N265 PolarHBondContact O-N 3.19Å; C263-N265 PolarHBondContact O-N 3.49Å; N265-A267 PolarHBondContact O-N 3.11Å; N265-R268 HydrophobicContact CB-CB 4.35Å; N265-R268 PolarHBondContact O-N 2.85Å; N265-R268 VanDerWaalsContact O-N 3.11Å; N265-R268 WeakPolarHBondContact OD1-CB 3.26Å; N265-R268 WeakPolarHBondContact OD1-CG 3.28Å; N265-R268 PolarHBondContact OD1-N 3.04Å; N265-A269 PolarHBondContact O-N 2.86Å
266	L	85.6	Confident	86.7	Confident	60 Å²	60	50.8 Å²	50.8	31%	0.314	25%	0.254	S	S	.	.	H	α-helix	trans	-58.1	-32.7	-178.5	-54.2	179.4	0	0	0	112.6	E264 A269 R270 F296 M300	E264-L266 PolarHBondContact O-N 3.19Å; E264-L266 VanDerWaalsContact O-N 3.14Å; L266-A269 PolarHBondContact O-N 3.09Å; L266-R270 WeakPolarHBondContact O-CG 3.48Å; L266-R270 PolarHBondContact O-N 2.91Å; L266-R270 VanDerWaalsContact O-N 3.17Å; L266-F296 HydrophobicContact CB-CZ 4.28Å; L266-F296 HydrophobicContact CD2-CE2 4.04Å; L266-F296 HydrophobicContact CD2-CZ 4.02Å; L266-M300 HydrophobicContact CD1-SD 3.71Å; L266-M300 HydrophobicContact CD2-SD 3.77Å; L266-M300 HydrophobicContact CG-SD 4.33Å
267	A	86.3	Confident	86.6	Confident	58 Å²	58	51.1 Å²	51.1	48%	0.479	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-49.4	174.1	0	0	0	0	0	111.6	N265 A269 R270 D271	N265-A267 PolarHBondContact O-N 3.11Å; A267-A269 VanDerWaalsContact C-N 3.3Å; A267-A269 PolarHBondContact O-N 2.8Å; A267-R270 WeakPolarHBondContact O-CB 3.48Å; A267-R270 PolarHBondContact O-N 3Å; A267-R270 VanDerWaalsContact O-N 3.1Å; A267-D271 VanDerWaalsContact O-CG 3.27Å; A267-D271 PolarHBondContact O-N 2.77Å
268	R	86.3	Confident	86.5	Confident	139 Å²	139	55.8 Å²	55.8	53%	0.525	28%	0.281	S	S	.	.	H	α-helix	trans	-67.5	-28	176.7	-75	-176.7	-176.9	144.9	4.3	114	H260 N265 R270 D271 V272	H260-R268 HydrophobicContact CB-CB 4.27Å; N265-R268 HydrophobicContact CB-CB 4.35Å; N265-R268 PolarHBondContact O-N 2.85Å; N265-R268 VanDerWaalsContact O-N 3.11Å; N265-R268 WeakPolarHBondContact OD1-CB 3.26Å; N265-R268 WeakPolarHBondContact OD1-CG 3.28Å; N265-R268 PolarHBondContact OD1-N 3.04Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R268-D271 PolarHBondContact O-N 3.44Å; R268-V272 VanDerWaalsContact O-CB 3.27Å; R268-V272 WeakPolarHBondContact O-CB 3.36Å; R268-V272 VanDerWaalsContact O-CG2 3.23Å; R268-V272 WeakPolarHBondContact O-CG2 3.23Å; R268-V272 PolarHBondContact O-N 3.42Å
269	A	88.8	Confident	86.4	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-44.9	170.4	0	0	0	0	0	110.8	H260 I261 N265 L266 A267 V272 Y273 F296	H260-A269 HydrophobicContact CB-CB 4.36Å; I261-A269 HydrophobicContact CD1-CB 4.4Å; I261-A269 HydrophobicContact CG1-CB 3.6Å; N265-A269 PolarHBondContact O-N 2.86Å; L266-A269 PolarHBondContact O-N 3.09Å; A267-A269 VanDerWaalsContact C-N 3.3Å; A267-A269 PolarHBondContact O-N 2.8Å; A269-V272 PolarHBondContact O-N 3.39Å; A269-Y273 WeakPolarHBondContact O-CD2 3.49Å; A269-Y273 PolarHBondContact O-N 3.41Å; A269-F296 HydrophobicContact CB-CE1 4.45Å; A269-F296 HydrophobicContact CB-CZ 4.11Å
270	R	87.6	Confident	86.3	Confident	32 Å²	32	54.6 Å²	54.6	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-47.8	173.9	-66.3	170.5	170.6	118.4	10.1	112.4	L266 A267 R268 V272 Y273 A274 Y293 F296 E297 Y324	L266-R270 WeakPolarHBondContact O-CG 3.48Å; L266-R270 PolarHBondContact O-N 2.91Å; L266-R270 VanDerWaalsContact O-N 3.17Å; A267-R270 WeakPolarHBondContact O-CB 3.48Å; A267-R270 PolarHBondContact O-N 3Å; A267-R270 VanDerWaalsContact O-N 3.1Å; R268-R270 VanDerWaalsContact C-N 3.33Å; R270-V272 VanDerWaalsContact C-N 3.25Å; R270-V272 PolarHBondContact O-N 3Å; R270-Y273 PolarHBondContact O-N 3.01Å; R270-A274 WeakPolarHBondContact O-CB 3.32Å; R270-A274 PolarHBondContact O-N 3.01Å; R270-Y293 HydrophobicContact CG-CE2 4.18Å; R270-F296 HydrophobicContact CG-CE1 3.85Å; R270-E297 WeakPolarHBondContact CD-OE1 3.13Å; R270-E297 VanDerWaalsContact CG-OE1 3.28Å; R270-E297 WeakPolarHBondContact CG-OE1 3.39Å; R270-E297 IonicContact CZ-OE1 3.28Å; R270-E297 IonicContact CZ-OE2 3.61Å; R270-E297 IonicContact NE-OE1 2.71Å; R270-E297 PolarHBondContact NE-OE1 3.24Å; R270-E297 IonicContact NE-OE2 3.83Å; R270-E297 PolarHBondContact NE-OE2 2.66Å; R270-E297 IonicContact NH2-OE1 3.44Å; R270-E297 PolarHBondContact NH2-OE1 3.45Å; R270-E297 IonicContact NH2-OE2 2.67Å; R270-E297 PolarHBondContact NH2-OE2 3.41Å; R270-Y324 VanDerWaalsContact NH2-CD1 3.27Å
271	D	89	Confident	86	Confident	102 Å²	102	57 Å²	57	55%	0.545	30%	0.3	S	S	.	.	H	α-helix	trans	-55.8	-43.6	176.9	-59.6	-31.2	0	0	0	110.9	A267 R268 A274 E275	A267-D271 VanDerWaalsContact O-CG 3.27Å; A267-D271 PolarHBondContact O-N 2.77Å; R268-D271 PolarHBondContact O-N 3.44Å; D271-A274 PolarHBondContact O-N 2.9Å; D271-E275 WeakPolarHBondContact O-CB 3.25Å; D271-E275 PolarHBondContact O-N 3.42Å
272	V	90.4	Very high	85.9	Confident	4 Å²	4	57 Å²	57	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-68.8	-41.2	178.7	163.3	0	0	0	0	112.4	W253 L256 A257 R268 A269 R270 E275 A276	W253-V272 HydrophobicContact CE3-CG1 3.84Å; W253-V272 HydrophobicContact CZ3-CG1 4.16Å; L256-V272 HydrophobicContact CB-CG1 3.93Å; L256-V272 HydrophobicContact CD2-CG1 3.95Å; L256-V272 HydrophobicContact CD2-CG2 4.1Å; L256-V272 HydrophobicContact CG-CG1 3.74Å; L256-V272 HydrophobicContact CG-CG2 4.08Å; A257-V272 HydrophobicContact CB-CG1 4.18Å; R268-V272 VanDerWaalsContact O-CB 3.27Å; R268-V272 WeakPolarHBondContact O-CB 3.36Å; R268-V272 VanDerWaalsContact O-CG2 3.23Å; R268-V272 WeakPolarHBondContact O-CG2 3.23Å; R268-V272 PolarHBondContact O-N 3.42Å; A269-V272 PolarHBondContact O-N 3.39Å; R270-V272 VanDerWaalsContact C-N 3.25Å; R270-V272 PolarHBondContact O-N 3Å; V272-E275 PolarHBondContact O-N 2.83Å; V272-A276 VanDerWaalsContact O-CB 3.29Å; V272-A276 WeakPolarHBondContact O-CB 3.16Å; V272-A276 PolarHBondContact O-N 3.19Å
273	Y	90.3	Very high	85.8	Confident	13 Å²	13	54 Å²	54	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-40.6	173.1	-77.1	-61.7	0	0	0	111.7	A257 I261 A269 R270 A276 L277 V289 A292 Y293 F296	A257-Y273 HydrophobicContact CB-CD1 4.23Å; A257-Y273 HydrophobicContact CB-CD2 4.01Å; A257-Y273 HydrophobicContact CB-CE1 3.74Å; A257-Y273 HydrophobicContact CB-CE2 3.49Å; A257-Y273 VanDerWaalsContact CB-CE2 3.49Å; A257-Y273 HydrophobicContact CB-CG 4.35Å; I261-Y273 HydrophobicContact CD1-CE2 4.4Å; A269-Y273 WeakPolarHBondContact O-CD2 3.49Å; A269-Y273 PolarHBondContact O-N 3.41Å; R270-Y273 PolarHBondContact O-N 3.01Å; Y273-A276 WeakPolarHBondContact O-CB 3.41Å; Y273-A276 PolarHBondContact O-N 3.27Å; Y273-L277 VanDerWaalsContact O-CG 3.25Å; Y273-L277 WeakPolarHBondContact O-CG 3.25Å; Y273-L277 PolarHBondContact O-N 2.84Å; Y273-V289 HydrophobicContact CD1-CG1 4.16Å; Y273-A292 HydrophobicContact CE1-CB 4.19Å; Y273-Y293 VanDerWaalsContact CB-CD2 3.48Å; Y273-Y293 HydrophobicContact CD1-CD2 4.33Å; Y273-Y293 HydrophobicContact CD1-CG 4.26Å; Y273-Y293 AromaticContact CD2-CD2 3.33Å; Y273-Y293 HydrophobicContact CD2-CD2 3.33Å; Y273-Y293 AromaticContact CD2-CE2 3.99Å; Y273-Y293 HydrophobicContact CD2-CE2 3.99Å; Y273-Y293 HydrophobicContact CD2-CG 4.07Å; Y273-Y293 HydrophobicContact CE2-CD2 4.07Å; Y273-Y293 AromaticContact CG-CD2 3.49Å; Y273-Y293 HydrophobicContact CG-CD2 3.49Å; Y273-Y293 VanDerWaalsContact CG-CD2 3.49Å; Y273-Y293 HydrophobicContact CG-CE2 4.25Å; Y273-Y293 AromaticContact CG-CG 3.77Å; Y273-Y293 HydrophobicContact CG-CG 3.77Å; Y273-F296 HydrophobicContact CD2-CD1 4.31Å; Y273-F296 HydrophobicContact CE2-CB 3.9Å; Y273-F296 HydrophobicContact CE2-CD1 4.07Å; Y273-F296 AromaticContact CE2-CG 3.92Å; Y273-F296 HydrophobicContact CE2-CG 3.92Å
274	A	86.8	Confident	86	Confident	39 Å²	39	61.3 Å²	61.3	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-40	175.3	0	0	0	0	0	112.1	R270 D271 N278	R270-A274 WeakPolarHBondContact O-CB 3.32Å; R270-A274 PolarHBondContact O-N 3.01Å; D271-A274 PolarHBondContact O-N 2.9Å; A274-N278 WeakPolarHBondContact O-CB 3.1Å; A274-N278 PolarHBondContact O-N 3.11Å; A274-N278 VanDerWaalsContact O-N 3.15Å; A274-N278 PolarHBondContact O-ND2 2.91Å
275	E	88	Confident	86.2	Confident	78 Å²	78	53.3 Å²	53.3	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-39.7	173.3	-167.2	-175.8	173.9	0	0	111.7	R239 W253 D271 V272 N278 S279	R239-E275 IonicContact CZ-OE1 2.81Å; R239-E275 IonicContact CZ-OE2 3.93Å; R239-E275 VanDerWaalsContact CZ-OE2 3.25Å; R239-E275 IonicContact NH1-OE1 2.66Å; R239-E275 PolarHBondContact NH1-OE1 2.92Å; R239-E275 IonicContact NH1-OE2 2.69Å; R239-E275 PolarHBondContact NH1-OE2 3.18Å; R239-E275 IonicContact NH2-OE1 3.05Å; R239-E275 IonicContact NH2-OE2 3.29Å; R239-E275 PolarHBondContact NH2-OE2 3.48Å; W253-E275 HydrophobicContact CH2-CB 4.21Å; W253-E275 HydrophobicContact CH2-CG 3.75Å; W253-E275 HydrophobicContact CZ2-CG 4.45Å; W253-E275 HydrophobicContact CZ3-CB 4.34Å; W253-E275 HydrophobicContact CZ3-CG 4.32Å; D271-E275 WeakPolarHBondContact O-CB 3.25Å; D271-E275 PolarHBondContact O-N 3.42Å; V272-E275 PolarHBondContact O-N 2.83Å; E275-N278 PolarHBondContact O-N 3.07Å; E275-S279 VanDerWaalsContact O-CB 3.28Å; E275-S279 WeakPolarHBondContact O-CB 3.5Å; E275-S279 PolarHBondContact O-N 3Å; E275-S279 PolarHBondContact O-OG 2.94Å
276	A	87.8	Confident	86.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-49.7	174.6	0	0	0	0	0	111.9	W253 V272 Y273 N278 S279 V280 V289	W253-A276 HydrophobicContact CB-CB 3.7Å; W253-A276 HydrophobicContact CD2-CB 3.45Å; W253-A276 VanDerWaalsContact CD2-CB 3.45Å; W253-A276 HydrophobicContact CE3-CB 3.91Å; W253-A276 HydrophobicContact CG-CB 3.34Å; V272-A276 VanDerWaalsContact O-CB 3.29Å; V272-A276 WeakPolarHBondContact O-CB 3.16Å; V272-A276 PolarHBondContact O-N 3.19Å; Y273-A276 WeakPolarHBondContact O-CB 3.41Å; Y273-A276 PolarHBondContact O-N 3.27Å; A276-N278 PolarHBondContact O-N 3.11Å; A276-S279 WeakPolarHBondContact CA-OG 3.23Å; A276-S279 PolarHBondContact O-N 2.66Å; A276-S279 PolarHBondContact O-OG 2.87Å; A276-V280 VanDerWaalsContact O-CB 3.28Å; A276-V280 WeakPolarHBondContact O-CB 3.36Å; A276-V280 WeakPolarHBondContact O-CG2 3.28Å; A276-V280 PolarHBondContact O-N 3.04Å; A276-V289 HydrophobicContact CB-CG1 3.48Å; A276-V289 VanDerWaalsContact CB-CG1 3.48Å; A276-V289 HydrophobicContact CB-CG2 4.24Å
277	L	85.7	Confident	86.3	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-26.3	179.2	-66.2	168.2	0	0	0	113.1	Y273 F286 V289 F290 Y293 L331 L338 R345	Y273-L277 VanDerWaalsContact O-CG 3.25Å; Y273-L277 WeakPolarHBondContact O-CG 3.25Å; Y273-L277 PolarHBondContact O-N 2.84Å; L277-F286 HydrophobicContact CD2-CD2 3.7Å; L277-F286 HydrophobicContact CD2-CE2 3.46Å; L277-F286 VanDerWaalsContact CD2-CE2 3.46Å; L277-F286 HydrophobicContact CD2-CZ 4.32Å; L277-V289 HydrophobicContact CD2-CB 4.35Å; L277-V289 HydrophobicContact CD2-CG1 3.78Å; L277-V289 HydrophobicContact CG-CG1 3.91Å; L277-F290 HydrophobicContact CD2-CB 3.92Å; L277-F290 HydrophobicContact CD2-CD2 4.25Å; L277-Y293 HydrophobicContact CD1-CD1 3.72Å; L277-Y293 HydrophobicContact CD1-CE1 4.2Å; L277-L331 HydrophobicContact CD1-CD1 4.41Å; L277-L338 HydrophobicContact CD1-CD1 4.47Å; L277-R345 PolarHBondContact O-NH2 3.08Å
278	N	85	Confident	86.5	Confident	99 Å²	99	52.1 Å²	52.1	53%	0.529	27%	0.265	S	S	.	.	H	α-helix	trans	-85.4	-34	174.5	-76.6	-54.5	0	0	0	113.9	A274 E275 A276 R345	A274-N278 WeakPolarHBondContact O-CB 3.1Å; A274-N278 PolarHBondContact O-N 3.11Å; A274-N278 VanDerWaalsContact O-N 3.15Å; A274-N278 PolarHBondContact O-ND2 2.91Å; E275-N278 PolarHBondContact O-N 3.07Å; A276-N278 PolarHBondContact O-N 3.11Å; N278-R345 PolarHBondContact O-NE 2.97Å; N278-R345 PolarHBondContact O-NH1 2.73Å; N278-R345 PolarHBondContact O-NH2 3.42Å
279	S	84.5	Confident	86.6	Confident	62 Å²	62	45.5 Å²	45.5	43%	0.434	24%	0.24	S	C	.	.	H	α-helix	trans	-86.2	-27.9	-177.5	58.4	0	0	0	0	114.1	W253 E275 A276 S281	W253-S279 VanDerWaalsContact CZ2-OG 3.24Å; W253-S279 WeakPolarHBondContact CZ2-OG 3.35Å; W253-S279 PolarHBondContact NE1-OG 3.24Å; E275-S279 VanDerWaalsContact O-CB 3.28Å; E275-S279 WeakPolarHBondContact O-CB 3.5Å; E275-S279 PolarHBondContact O-N 3Å; E275-S279 PolarHBondContact O-OG 2.94Å; A276-S279 WeakPolarHBondContact CA-OG 3.23Å; A276-S279 PolarHBondContact O-N 2.66Å; A276-S279 PolarHBondContact O-OG 2.87Å; S279-S281 PolarHBondContact O-N 2.71Å
280	V	82.8	Confident	86.7	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.024	24%	0.241	C	C	.	.			trans	-65.3	133.1	-175.6	161.6	0	0	0	0	112.3	V249 A276 T282 D285 F286 R345	V249-V280 HydrophobicContact CG1-CG2 4.14Å; A276-V280 VanDerWaalsContact O-CB 3.28Å; A276-V280 WeakPolarHBondContact O-CB 3.36Å; A276-V280 WeakPolarHBondContact O-CG2 3.28Å; A276-V280 PolarHBondContact O-N 3.04Å; V280-T282 WeakPolarHBondContact CG1-O 3.42Å; V280-D285 HydrophobicContact CG1-CB 3.64Å; V280-D285 HydrophobicContact CG2-CB 4.13Å; V280-F286 HydrophobicContact CG1-CB 3.9Å; V280-R345 PolarHBondContact O-NE 3.26Å; V280-R345 PolarHBondContact O-NH2 3.34Å
281	S	79.8	Confident	86.9	Confident	64 Å²	64	47.1 Å²	47.1	45%	0.448	25%	0.251	S	S	.	.			trans	-101.6	-29.9	178.1	58.1	0	0	0	0	113.9	S279 V342 Q346	S279-S281 PolarHBondContact O-N 2.71Å; S281-V342 VanDerWaalsContact O-CG1 3.31Å; S281-V342 WeakPolarHBondContact O-CG1 3.31Å; S281-Q346 WeakPolarHBondContact O-CG 3.21Å; S281-Q346 PolarHBondContact O-NE2 3.05Å
282	T	84	Confident	86.9	Confident	44 Å²	44	43.1 Å²	43.1	27%	0.27	23%	0.232	S	C	.	.	S	Bend	trans	-91	143.5	-179.5	102.9	0	0	0	0	111.8	V280 R284 D285 F286	V280-T282 WeakPolarHBondContact CG1-O 3.42Å; T282-R284 PolarHBondContact O-N 3.31Å; T282-R284 PolarHBondContact OG1-N 2.81Å; T282-D285 WeakPolarHBondContact CB-OD2 3.4Å; T282-D285 WeakPolarHBondContact CG2-OD2 3.41Å; T282-D285 PolarHBondContact OG1-N 3.44Å; T282-D285 PolarHBondContact OG1-OD2 2.88Å; T282-F286 WeakPolarHBondContact O-CB 3.49Å; T282-F286 PolarHBondContact O-N 3.02Å
283	V	83.8	Confident	86.8	Confident	53 Å²	53	44.5 Å²	44.5	32%	0.321	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-27.2	175.4	171.9	0	0	0	0	111.5	F286 T287 L339 V342 L343	V283-F286 PolarHBondContact O-N 3.26Å; V283-T287 PolarHBondContact O-N 2.69Å; V283-T287 PolarHBondContact O-OG1 2.97Å; V283-T287 VanDerWaalsContact O-OG1 3.1Å; V283-L339 HydrophobicContact CG1-CD1 3.97Å; V283-L339 HydrophobicContact CG2-CD1 4.04Å; V283-V342 HydrophobicContact CG2-CG1 3.99Å; V283-L343 HydrophobicContact CG2-CD2 3.97Å
284	R	85.4	Confident	86.8	Confident	202 Å²	202	45 Å²	45	76%	0.762	24%	0.244	S	C	*	.	H	α-helix	trans	-71.9	-49.3	-180	-68	-177.9	178.4	176	-0.8	111.8	T282 F286 T287 Q288	T282-R284 PolarHBondContact O-N 3.31Å; T282-R284 PolarHBondContact OG1-N 2.81Å; R284-F286 PolarHBondContact O-N 3.28Å; R284-T287 WeakPolarHBondContact CA-OG1 3.2Å; R284-T287 PolarHBondContact O-N 2.93Å; R284-T287 PolarHBondContact O-OG1 3.39Å; R284-Q288 WeakPolarHBondContact O-CG 3.31Å; R284-Q288 PolarHBondContact O-N 2.96Å
285	D	85.5	Confident	86.9	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.053	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-37.6	173	-62.1	-73.3	0	0	0	110.1	V249 G250 V280 T282 Q288 V289	V249-D285 PolarHBondContact N-OD1 2.92Å; V249-D285 VanDerWaalsContact N-OD1 3.1Å; G250-D285 PolarHBondContact N-OD1 3.15Å; V280-D285 HydrophobicContact CG1-CB 3.64Å; V280-D285 HydrophobicContact CG2-CB 4.13Å; T282-D285 WeakPolarHBondContact CB-OD2 3.4Å; T282-D285 WeakPolarHBondContact CG2-OD2 3.41Å; T282-D285 PolarHBondContact OG1-N 3.44Å; T282-D285 PolarHBondContact OG1-OD2 2.88Å; D285-Q288 PolarHBondContact O-N 3.21Å; D285-V289 WeakPolarHBondContact O-CB 3.44Å; D285-V289 VanDerWaalsContact O-CG2 3.31Å; D285-V289 WeakPolarHBondContact O-CG2 3.44Å; D285-V289 PolarHBondContact O-N 3.08Å
286	F	87	Confident	86.9	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-45.7	177.8	175.8	-99.4	0	0	0	111.6	L277 V280 T282 V283 R284 V289 F290 L338 L339 V342	L277-F286 HydrophobicContact CD2-CD2 3.7Å; L277-F286 HydrophobicContact CD2-CE2 3.46Å; L277-F286 VanDerWaalsContact CD2-CE2 3.46Å; L277-F286 HydrophobicContact CD2-CZ 4.32Å; V280-F286 HydrophobicContact CG1-CB 3.9Å; T282-F286 WeakPolarHBondContact O-CB 3.49Å; T282-F286 PolarHBondContact O-N 3.02Å; V283-F286 PolarHBondContact O-N 3.26Å; R284-F286 PolarHBondContact O-N 3.28Å; F286-V289 PolarHBondContact O-N 2.73Å; F286-F290 HydrophobicContact CE1-CB 4.35Å; F286-F290 HydrophobicContact CE1-CD2 4.48Å; F286-F290 HydrophobicContact CZ-CB 4.32Å; F286-F290 AromaticContact CZ-CD2 3.94Å; F286-F290 HydrophobicContact CZ-CD2 3.94Å; F286-F290 HydrophobicContact CZ-CG 4.38Å; F286-F290 WeakPolarHBondContact O-CB 3.26Å; F286-F290 PolarHBondContact O-N 3.49Å; F286-L338 HydrophobicContact CE2-CB 3.73Å; F286-L338 HydrophobicContact CZ-CB 3.59Å; F286-L339 HydrophobicContact CD1-CD1 4.05Å; F286-L339 HydrophobicContact CE1-CB 3.96Å; F286-L339 HydrophobicContact CE1-CD1 4.19Å; F286-L339 HydrophobicContact CZ-CB 4.44Å; F286-V342 HydrophobicContact CB-CG1 4.43Å; F286-V342 HydrophobicContact CB-CG2 3.96Å; F286-V342 HydrophobicContact CD1-CG2 4.49Å; F286-V342 HydrophobicContact CD2-CG2 3.51Å; F286-V342 HydrophobicContact CE2-CG2 4.13Å; F286-V342 HydrophobicContact CG-CG2 3.72Å
287	T	88.3	Confident	86.8	Confident	52 Å²	52	46.5 Å²	46.5	32%	0.319	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-46.1	173.1	42.2	0	0	0	0	111.9	V283 R284 V289 F290 D291	V283-T287 PolarHBondContact O-N 2.69Å; V283-T287 PolarHBondContact O-OG1 2.97Å; V283-T287 VanDerWaalsContact O-OG1 3.1Å; R284-T287 WeakPolarHBondContact CA-OG1 3.2Å; R284-T287 PolarHBondContact O-N 2.93Å; R284-T287 PolarHBondContact O-OG1 3.39Å; T287-V289 VanDerWaalsContact C-N 3.29Å; T287-V289 PolarHBondContact O-N 3.41Å; T287-F290 PolarHBondContact O-N 3.38Å; T287-D291 VanDerWaalsContact O-CB 3.26Å; T287-D291 WeakPolarHBondContact O-CB 3.11Å; T287-D291 PolarHBondContact O-N 2.8Å; T287-D291 VanDerWaalsContact O-OD2 3.14Å
288	Q	89	Confident	87	Confident	88 Å²	88	50.3 Å²	50.3	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-33.3	-179.7	-71.1	176.5	9.2	0	0	113.8	N254 R284 D285 A292	N254-Q288 PolarHBondContact ND2-O 3.34Å; R284-Q288 WeakPolarHBondContact O-CG 3.31Å; R284-Q288 PolarHBondContact O-N 2.96Å; D285-Q288 PolarHBondContact O-N 3.21Å; Q288-A292 VanDerWaalsContact O-CB 3.23Å; Q288-A292 WeakPolarHBondContact O-CB 3.46Å
289	V	89.8	Confident	87.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-81	-43.3	176.4	171.5	0	0	0	0	111.1	W253 Y273 A276 L277 D285 F286 T287 Y293	W253-V289 HydrophobicContact CB-CG2 4.06Å; Y273-V289 HydrophobicContact CD1-CG1 4.16Å; A276-V289 HydrophobicContact CB-CG1 3.48Å; A276-V289 VanDerWaalsContact CB-CG1 3.48Å; A276-V289 HydrophobicContact CB-CG2 4.24Å; L277-V289 HydrophobicContact CD2-CB 4.35Å; L277-V289 HydrophobicContact CD2-CG1 3.78Å; L277-V289 HydrophobicContact CG-CG1 3.91Å; D285-V289 WeakPolarHBondContact O-CB 3.44Å; D285-V289 VanDerWaalsContact O-CG2 3.31Å; D285-V289 WeakPolarHBondContact O-CG2 3.44Å; D285-V289 PolarHBondContact O-N 3.08Å; F286-V289 PolarHBondContact O-N 2.73Å; T287-V289 VanDerWaalsContact C-N 3.29Å; T287-V289 PolarHBondContact O-N 3.41Å; V289-Y293 VanDerWaalsContact O-CB 3.31Å; V289-Y293 WeakPolarHBondContact O-CB 3.43Å; V289-Y293 PolarHBondContact O-N 2.85Å
290	F	90.1	Very high	87.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-47.5	-179.3	-177.1	-81.9	0	0	0	111.5	L277 F286 T287 A292 Y293 A294 L331 M332 R335 L338	L277-F290 HydrophobicContact CD2-CB 3.92Å; L277-F290 HydrophobicContact CD2-CD2 4.25Å; F286-F290 HydrophobicContact CE1-CB 4.35Å; F286-F290 HydrophobicContact CE1-CD2 4.48Å; F286-F290 HydrophobicContact CZ-CB 4.32Å; F286-F290 AromaticContact CZ-CD2 3.94Å; F286-F290 HydrophobicContact CZ-CD2 3.94Å; F286-F290 HydrophobicContact CZ-CG 4.38Å; F286-F290 WeakPolarHBondContact O-CB 3.26Å; F286-F290 PolarHBondContact O-N 3.49Å; T287-F290 PolarHBondContact O-N 3.38Å; F290-A292 VanDerWaalsContact C-N 3.33Å; F290-A292 PolarHBondContact O-N 2.87Å; F290-Y293 PolarHBondContact O-N 3.1Å; F290-A294 HydrophobicContact CE1-CB 4.45Å; F290-A294 WeakPolarHBondContact O-CB 3.4Å; F290-A294 PolarHBondContact O-N 3.44Å; F290-L331 HydrophobicContact CD2-CD1 4.12Å; F290-L331 HydrophobicContact CE2-CD1 3.52Å; F290-L331 HydrophobicContact CE2-CG 3.75Å; F290-L331 HydrophobicContact CZ-CD1 4.2Å; F290-L331 HydrophobicContact CZ-CG 3.9Å; F290-M332 HydrophobicContact CE1-SD 4.2Å; F290-M332 HydrophobicContact CZ-SD 4.17Å; F290-R335 HydrophobicContact CD1-CG 4.36Å; F290-R335 HydrophobicContact CD2-CG 4.26Å; F290-R335 HydrophobicContact CE1-CB 4.41Å; F290-R335 HydrophobicContact CE1-CG 3.84Å; F290-R335 HydrophobicContact CE2-CB 3.78Å; F290-R335 HydrophobicContact CE2-CG 3.7Å; F290-R335 HydrophobicContact CZ-CB 3.61Å; F290-R335 HydrophobicContact CZ-CG 3.48Å; F290-R335 VanDerWaalsContact CZ-CG 3.48Å; F290-L338 HydrophobicContact CE2-CD1 4.47Å
291	D	91.4	Very high	87.3	Confident	64 Å²	64	46.8 Å²	46.8	34%	0.342	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-38.6	-178.2	-58.1	-25.4	0	0	0	109.7	T287 A294 E295 R335	T287-D291 VanDerWaalsContact O-CB 3.26Å; T287-D291 WeakPolarHBondContact O-CB 3.11Å; T287-D291 PolarHBondContact O-N 2.8Å; T287-D291 VanDerWaalsContact O-OD2 3.14Å; D291-A294 PolarHBondContact O-N 2.92Å; D291-E295 WeakPolarHBondContact O-CB 3.47Å; D291-E295 WeakPolarHBondContact O-CG 3.38Å; D291-E295 PolarHBondContact O-N 3.23Å; D291-R335 IonicContact OD1-NH2 3.45Å; D291-R335 PolarHBondContact OD1-NH2 2.69Å
292	A	89.2	Confident	87.8	Confident	17 Å²	17	48.7 Å²	48.7	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-32.5	172.4	0	0	0	0	0	113.9	N254 Y273 Q288 F290 F296	N254-A292 WeakPolarHBondContact ND2-CB 3.31Å; Y273-A292 HydrophobicContact CE1-CB 4.19Å; Q288-A292 VanDerWaalsContact O-CB 3.23Å; Q288-A292 WeakPolarHBondContact O-CB 3.46Å; F290-A292 VanDerWaalsContact C-N 3.33Å; F290-A292 PolarHBondContact O-N 2.87Å; A292-F296 WeakPolarHBondContact O-CB 3.29Å; A292-F296 PolarHBondContact O-N 3.33Å
293	Y	89.3	Confident	87.9	Confident	34 Å²	34	49.3 Å²	49.3	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-73.5	-37.2	174.8	-175.9	-142.1	0	0	0	111.8	R270 Y273 L277 V289 F290 F296 E297 L331	R270-Y293 HydrophobicContact CG-CE2 4.18Å; Y273-Y293 VanDerWaalsContact CB-CD2 3.48Å; Y273-Y293 HydrophobicContact CD1-CD2 4.33Å; Y273-Y293 HydrophobicContact CD1-CG 4.26Å; Y273-Y293 AromaticContact CD2-CD2 3.33Å; Y273-Y293 HydrophobicContact CD2-CD2 3.33Å; Y273-Y293 AromaticContact CD2-CE2 3.99Å; Y273-Y293 HydrophobicContact CD2-CE2 3.99Å; Y273-Y293 HydrophobicContact CD2-CG 4.07Å; Y273-Y293 HydrophobicContact CE2-CD2 4.07Å; Y273-Y293 AromaticContact CG-CD2 3.49Å; Y273-Y293 HydrophobicContact CG-CD2 3.49Å; Y273-Y293 VanDerWaalsContact CG-CD2 3.49Å; Y273-Y293 HydrophobicContact CG-CE2 4.25Å; Y273-Y293 AromaticContact CG-CG 3.77Å; Y273-Y293 HydrophobicContact CG-CG 3.77Å; L277-Y293 HydrophobicContact CD1-CD1 3.72Å; L277-Y293 HydrophobicContact CD1-CE1 4.2Å; V289-Y293 VanDerWaalsContact O-CB 3.31Å; V289-Y293 WeakPolarHBondContact O-CB 3.43Å; V289-Y293 PolarHBondContact O-N 2.85Å; F290-Y293 PolarHBondContact O-N 3.1Å; Y293-F296 HydrophobicContact CD2-CD1 4.1Å; Y293-F296 HydrophobicContact CE2-CD1 4.2Å; Y293-F296 WeakPolarHBondContact O-CB 3.24Å; Y293-F296 PolarHBondContact O-N 3.02Å; Y293-E297 HydrophobicContact CD2-CG 4.26Å; Y293-E297 HydrophobicContact CE2-CG 3.86Å; Y293-E297 VanDerWaalsContact CE2-OE1 3.32Å; Y293-E297 WeakPolarHBondContact CE2-OE1 3.29Å; Y293-E297 PolarHBondContact O-N 2.91Å; Y293-L331 HydrophobicContact CD1-CD1 3.73Å; Y293-L331 HydrophobicContact CD1-CD2 3.42Å; Y293-L331 VanDerWaalsContact CD1-CD2 3.42Å; Y293-L331 HydrophobicContact CD1-CG 4.23Å; Y293-L331 HydrophobicContact CE1-CD1 3.76Å; Y293-L331 HydrophobicContact CE1-CD2 3.72Å; Y293-L331 HydrophobicContact CE1-CG 4.33Å; Y293-L331 HydrophobicContact CG-CD2 4.08Å
294	A	89.5	Confident	87.8	Confident	22 Å²	22	49.4 Å²	49.4	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-45.8	172.2	0	0	0	0	0	111.3	F290 D291 F296 E297 E298 L331	F290-A294 HydrophobicContact CE1-CB 4.45Å; F290-A294 WeakPolarHBondContact O-CB 3.4Å; F290-A294 PolarHBondContact O-N 3.44Å; D291-A294 PolarHBondContact O-N 2.92Å; A294-F296 VanDerWaalsContact C-N 3.28Å; A294-F296 PolarHBondContact O-N 3.46Å; A294-E297 PolarHBondContact O-N 3.04Å; A294-E298 VanDerWaalsContact O-CB 3.23Å; A294-E298 WeakPolarHBondContact O-CB 3.45Å; A294-E298 PolarHBondContact O-N 3.07Å; A294-L331 HydrophobicContact CB-CD2 4.45Å
295	E	89.7	Confident	87.7	Confident	139 Å²	139	43.3 Å²	43.3	65%	0.65	23%	0.228	S	C	*	.	H	α-helix	trans	-58.4	-39	170.9	-76.6	-179.4	-175.9	0	0	111.9	D291 S299	D291-E295 WeakPolarHBondContact O-CB 3.47Å; D291-E295 WeakPolarHBondContact O-CG 3.38Å; D291-E295 PolarHBondContact O-N 3.23Å; E295-S299 WeakPolarHBondContact O-CB 3.41Å; E295-S299 PolarHBondContact O-N 3.17Å; E295-S299 PolarHBondContact O-OG 3.46Å
296	F	87.4	Confident	87.8	Confident	9 Å²	9	44.6 Å²	44.6	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-56.1	175.5	172.8	-105.4	0	0	0	112	I261 L266 A269 R270 Y273 A292 Y293 A294 E298 S299 M300	I261-F296 HydrophobicContact CD1-CD2 3.52Å; I261-F296 HydrophobicContact CD1-CE2 3.79Å; I261-F296 HydrophobicContact CD1-CG 4.34Å; I261-F296 HydrophobicContact CG1-CD2 3.97Å; I261-F296 HydrophobicContact CG1-CE2 3.66Å; I261-F296 HydrophobicContact CG1-CZ 4.44Å; L266-F296 HydrophobicContact CB-CZ 4.28Å; L266-F296 HydrophobicContact CD2-CE2 4.04Å; L266-F296 HydrophobicContact CD2-CZ 4.02Å; A269-F296 HydrophobicContact CB-CE1 4.45Å; A269-F296 HydrophobicContact CB-CZ 4.11Å; R270-F296 HydrophobicContact CG-CE1 3.85Å; Y273-F296 HydrophobicContact CD2-CD1 4.31Å; Y273-F296 HydrophobicContact CE2-CB 3.9Å; Y273-F296 HydrophobicContact CE2-CD1 4.07Å; Y273-F296 AromaticContact CE2-CG 3.92Å; Y273-F296 HydrophobicContact CE2-CG 3.92Å; A292-F296 WeakPolarHBondContact O-CB 3.29Å; A292-F296 PolarHBondContact O-N 3.33Å; Y293-F296 HydrophobicContact CD2-CD1 4.1Å; Y293-F296 HydrophobicContact CE2-CD1 4.2Å; Y293-F296 WeakPolarHBondContact O-CB 3.24Å; Y293-F296 PolarHBondContact O-N 3.02Å; A294-F296 VanDerWaalsContact C-N 3.28Å; A294-F296 PolarHBondContact O-N 3.46Å; F296-E298 VanDerWaalsContact C-N 3.33Å; F296-E298 PolarHBondContact O-N 2.78Å; F296-S299 PolarHBondContact O-N 3.31Å; F296-S299 VanDerWaalsContact O-N 3.16Å; F296-S299 PolarHBondContact O-OG 3.15Å; F296-M300 HydrophobicContact CD2-CE 4.48Å; F296-M300 HydrophobicContact CD2-CG 4.16Å; F296-M300 HydrophobicContact CE1-CG 4.08Å; F296-M300 HydrophobicContact CE2-CE 4.08Å; F296-M300 HydrophobicContact CE2-CG 3.67Å; F296-M300 HydrophobicContact CE2-SD 3.86Å; F296-M300 HydrophobicContact CZ-CG 3.64Å; F296-M300 HydrophobicContact CZ-SD 4.08Å; F296-M300 WeakPolarHBondContact O-CG 3.16Å; F296-M300 PolarHBondContact O-N 3.3Å
297	E	86.3	Confident	87.6	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-38.2	179.5	-66.6	-55.8	149.3	0	0	112.4	R270 Y293 A294 S299 M300 A301 L328	R270-E297 WeakPolarHBondContact CD-OE1 3.13Å; R270-E297 VanDerWaalsContact CG-OE1 3.28Å; R270-E297 WeakPolarHBondContact CG-OE1 3.39Å; R270-E297 IonicContact CZ-OE1 3.28Å; R270-E297 IonicContact CZ-OE2 3.61Å; R270-E297 IonicContact NE-OE1 2.71Å; R270-E297 PolarHBondContact NE-OE1 3.24Å; R270-E297 IonicContact NE-OE2 3.83Å; R270-E297 PolarHBondContact NE-OE2 2.66Å; R270-E297 IonicContact NH2-OE1 3.44Å; R270-E297 PolarHBondContact NH2-OE1 3.45Å; R270-E297 IonicContact NH2-OE2 2.67Å; R270-E297 PolarHBondContact NH2-OE2 3.41Å; Y293-E297 HydrophobicContact CD2-CG 4.26Å; Y293-E297 HydrophobicContact CE2-CG 3.86Å; Y293-E297 VanDerWaalsContact CE2-OE1 3.32Å; Y293-E297 WeakPolarHBondContact CE2-OE1 3.29Å; Y293-E297 PolarHBondContact O-N 2.91Å; A294-E297 PolarHBondContact O-N 3.04Å; E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 3.12Å; E297-M300 PolarHBondContact O-N 2.93Å; E297-A301 WeakPolarHBondContact O-CB 3.48Å; E297-A301 PolarHBondContact O-N 2.81Å; E297-L328 HydrophobicContact CB-CD1 4.39Å
298	E	88.8	Confident	87.2	Confident	86 Å²	86	45.3 Å²	45.3	40%	0.402	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-39.5	175.2	-158.9	-151.5	-165.3	0	0	111.1	A294 F296 K302 L328	A294-E298 VanDerWaalsContact O-CB 3.23Å; A294-E298 WeakPolarHBondContact O-CB 3.45Å; A294-E298 PolarHBondContact O-N 3.07Å; F296-E298 VanDerWaalsContact C-N 3.33Å; F296-E298 PolarHBondContact O-N 2.78Å; E298-K302 HydrophobicContact CG-CD 4.29Å; E298-K302 VanDerWaalsContact O-CB 3.3Å; E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 WeakPolarHBondContact O-CG 3.49Å; E298-K302 PolarHBondContact O-N 3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.49Å; E298-K302 IonicContact OE1-NZ 3.54Å; E298-K302 PolarHBondContact OE1-NZ 2.66Å; E298-K302 IonicContact OE2-NZ 3.58Å; E298-K302 PolarHBondContact OE2-NZ 3.43Å; E298-L328 HydrophobicContact CB-CD1 3.83Å; E298-L328 HydrophobicContact CG-CD1 4.18Å
299	S	88.2	Confident	86.8	Confident	51 Å²	51	49.3 Å²	49.3	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-35.1	174.5	78.9	0	0	0	0	112.7	E295 F296 E297 A303	E295-S299 WeakPolarHBondContact O-CB 3.41Å; E295-S299 PolarHBondContact O-N 3.17Å; E295-S299 PolarHBondContact O-OG 3.46Å; F296-S299 PolarHBondContact O-N 3.31Å; F296-S299 VanDerWaalsContact O-N 3.16Å; F296-S299 PolarHBondContact O-OG 3.15Å; E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 3.12Å; S299-A303 WeakPolarHBondContact O-CB 3.45Å; S299-A303 PolarHBondContact O-N 3.04Å
300	M	86	Confident	86.2	Confident	38 Å²	38	57.6 Å²	57.6	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-70.5	-45.5	176.3	-68.2	-60.1	97.3	0	0	111.2	L266 F296 E297 A303 K304	L266-M300 HydrophobicContact CD1-SD 3.71Å; L266-M300 HydrophobicContact CD2-SD 3.77Å; L266-M300 HydrophobicContact CG-SD 4.33Å; F296-M300 HydrophobicContact CD2-CE 4.48Å; F296-M300 HydrophobicContact CD2-CG 4.16Å; F296-M300 HydrophobicContact CE1-CG 4.08Å; F296-M300 HydrophobicContact CE2-CE 4.08Å; F296-M300 HydrophobicContact CE2-CG 3.67Å; F296-M300 HydrophobicContact CE2-SD 3.86Å; F296-M300 HydrophobicContact CZ-CG 3.64Å; F296-M300 HydrophobicContact CZ-SD 4.08Å; F296-M300 WeakPolarHBondContact O-CG 3.16Å; F296-M300 PolarHBondContact O-N 3.3Å; E297-M300 PolarHBondContact O-N 2.93Å; M300-A303 PolarHBondContact O-N 3.01Å; M300-K304 WeakPolarHBondContact O-CB 3.48Å; M300-K304 PolarHBondContact O-N 2.85Å
301	A	85.4	Confident	85.2	Confident	2 Å²	2	60.3 Å²	60.3	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-47.5	173.4	0	0	0	0	0	111.1	E297 A303 K304 M305 L325	E297-A301 WeakPolarHBondContact O-CB 3.48Å; E297-A301 PolarHBondContact O-N 2.81Å; A301-A303 PolarHBondContact O-N 3.29Å; A301-K304 PolarHBondContact O-N 2.93Å; A301-M305 HydrophobicContact CB-CE 4.34Å; A301-M305 WeakPolarHBondContact O-CB 3.44Å; A301-M305 WeakPolarHBondContact O-CE 3.33Å; A301-M305 WeakPolarHBondContact O-CG 3.39Å; A301-M305 PolarHBondContact O-N 3.4Å; A301-L325 HydrophobicContact CB-CD2 4.21Å
302	K	89.3	Confident	84.2	Confident	104 Å²	104	64.9 Å²	64.9	45%	0.452	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-42.9	175.2	-75.2	169.3	-180	171.3	0	112.7	E298 M305 A306	E298-K302 HydrophobicContact CG-CD 4.29Å; E298-K302 VanDerWaalsContact O-CB 3.3Å; E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 WeakPolarHBondContact O-CG 3.49Å; E298-K302 PolarHBondContact O-N 3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.49Å; E298-K302 IonicContact OE1-NZ 3.54Å; E298-K302 PolarHBondContact OE1-NZ 2.66Å; E298-K302 IonicContact OE2-NZ 3.58Å; E298-K302 PolarHBondContact OE2-NZ 3.43Å; K302-M305 HydrophobicContact CG-CE 4.36Å; K302-A306 VanDerWaalsContact O-CB 3.27Å; K302-A306 WeakPolarHBondContact O-CB 3.19Å; K302-A306 PolarHBondContact O-N 3.44Å
303	A	86.2	Confident	83.1	Confident	57 Å²	57	68 Å²	68	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-66.4	-38.4	178.7	0	0	0	0	0	112.5	S299 M300 A301 A307	S299-A303 WeakPolarHBondContact O-CB 3.45Å; S299-A303 PolarHBondContact O-N 3.04Å; M300-A303 PolarHBondContact O-N 3.01Å; A301-A303 PolarHBondContact O-N 3.29Å; A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.18Å
304	K	81.7	Confident	82.5	Confident	56 Å²	56	69 Å²	69	24%	0.243	38%	0.376	C	S	.	.	H	α-helix	trans	-72.4	-40.9	175.8	-95.3	-90.9	173.4	159.8	0	112.8	M300 A301 A307 L308 D317 D320 V321 Y324	M300-K304 WeakPolarHBondContact O-CB 3.48Å; M300-K304 PolarHBondContact O-N 2.85Å; A301-K304 PolarHBondContact O-N 2.93Å; K304-A307 WeakPolarHBondContact O-CB 3.5Å; K304-A307 PolarHBondContact O-N 2.86Å; K304-A307 VanDerWaalsContact O-N 3.15Å; K304-L308 PolarHBondContact O-N 2.88Å; K304-D317 IonicContact NZ-OD1 2.66Å; K304-D317 PolarHBondContact NZ-OD1 3.43Å; K304-D320 WeakPolarHBondContact CE-OD2 3.28Å; K304-D320 IonicContact NZ-OD2 2.68Å; K304-D320 PolarHBondContact NZ-OD2 2.88Å; K304-V321 HydrophobicContact CB-CG2 3.68Å; K304-Y324 HydrophobicContact CB-CD2 4.49Å; K304-Y324 HydrophobicContact CD-CE2 4.5Å; K304-Y324 HydrophobicContact CG-CD2 4.34Å; K304-Y324 HydrophobicContact CG-CE2 4.02Å
305	M	83.4	Confident	81.9	Confident	73 Å²	73	75.7 Å²	75.7	36%	0.36	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-44.6	170.8	-73.2	-175	-70.1	0	0	111.8	A301 K302 A307 L308 E309 V321	A301-M305 HydrophobicContact CB-CE 4.34Å; A301-M305 WeakPolarHBondContact O-CB 3.44Å; A301-M305 WeakPolarHBondContact O-CE 3.33Å; A301-M305 WeakPolarHBondContact O-CG 3.39Å; A301-M305 PolarHBondContact O-N 3.4Å; K302-M305 HydrophobicContact CG-CE 4.36Å; M305-A307 PolarHBondContact O-N 3.29Å; M305-L308 WeakPolarHBondContact O-CB 3.33Å; M305-L308 PolarHBondContact O-N 2.82Å; M305-E309 PolarHBondContact O-N 2.86Å; M305-V321 HydrophobicContact CG-CG1 3.68Å; M305-V321 HydrophobicContact CG-CG2 4.06Å; M305-V321 HydrophobicContact SD-CG1 4.28Å
306	A	87.2	Confident	81.5	Confident	38 Å²	38	75.3 Å²	75.3	31%	0.314	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-21.7	176.1	0	0	0	0	0	113.4	K302 Q310	K302-A306 VanDerWaalsContact O-CB 3.27Å; K302-A306 WeakPolarHBondContact O-CB 3.19Å; K302-A306 PolarHBondContact O-N 3.44Å; A306-Q310 WeakPolarHBondContact O-CG 3.49Å; A306-Q310 PolarHBondContact O-NE2 3.18Å
307	A	83	Confident	81.1	Confident	45 Å²	45	77 Å²	77	37%	0.372	42%	0.416	S	S	.	.	H	α-helix	trans	-76.2	-45.7	170.5	0	0	0	0	0	111.2	A303 K304 M305 E309 Q310 S311	A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 3.18Å; K304-A307 WeakPolarHBondContact O-CB 3.5Å; K304-A307 PolarHBondContact O-N 2.86Å; K304-A307 VanDerWaalsContact O-N 3.15Å; M305-A307 PolarHBondContact O-N 3.29Å; A307-E309 VanDerWaalsContact C-N 3.28Å; A307-E309 PolarHBondContact O-N 2.89Å; A307-Q310 WeakPolarHBondContact O-CA 3.36Å; A307-Q310 PolarHBondContact O-N 3.33Å; A307-S311 PolarHBondContact O-N 3.15Å; A307-S311 VanDerWaalsContact O-N 3.16Å; A307-S311 PolarHBondContact O-OG 3.31Å; A307-S311 VanDerWaalsContact O-OG 3.11Å
308	L	79.8	Confident	80.9	Confident	26 Å²	26	81.9 Å²	81.9	14%	0.136	44%	0.439	C	S	.	.	H	α-helix	trans	-54.3	-41	172.6	-81.9	176.4	0	0	0	112.5	K304 M305 Q310 S311 V313 D317 E318 V321	K304-L308 PolarHBondContact O-N 2.88Å; M305-L308 WeakPolarHBondContact O-CB 3.33Å; M305-L308 PolarHBondContact O-N 2.82Å; L308-Q310 PolarHBondContact O-N 3.27Å; L308-Q310 VanDerWaalsContact O-N 3.16Å; L308-S311 VanDerWaalsContact O-O 3.12Å; L308-V313 HydrophobicContact CD2-CB 4.38Å; L308-V313 HydrophobicContact CD2-CG1 3.95Å; L308-V313 HydrophobicContact CD2-CG2 4.21Å; L308-D317 HydrophobicContact CD2-CB 3.44Å; L308-D317 VanDerWaalsContact CD2-CB 3.44Å; L308-D317 HydrophobicContact CG-CB 4.19Å; L308-E318 HydrophobicContact CD1-CG 4.42Å; L308-E318 HydrophobicContact CD2-CG 4.48Å; L308-V321 HydrophobicContact CD1-CB 4.3Å; L308-V321 HydrophobicContact CD1-CG2 3.69Å
309	E	80.4	Confident	80.7	Confident	172 Å²	172	82.5 Å²	82.5	80%	0.804	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.9	175.3	-72.8	-176.8	168.8	0	0	114.3	M305 A307	M305-E309 PolarHBondContact O-N 2.86Å; A307-E309 VanDerWaalsContact C-N 3.28Å; A307-E309 PolarHBondContact O-N 2.89Å
310	Q	78	Confident	80.5	Confident	173 Å²	173	82 Å²	82	81%	0.808	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-13.2	-175.1	-72.2	176.3	73.4	0	0	114.5	A306 A307 L308	A306-Q310 WeakPolarHBondContact O-CG 3.49Å; A306-Q310 PolarHBondContact O-NE2 3.18Å; A307-Q310 WeakPolarHBondContact O-CA 3.36Å; A307-Q310 PolarHBondContact O-N 3.33Å; L308-Q310 PolarHBondContact O-N 3.27Å; L308-Q310 VanDerWaalsContact O-N 3.16Å
311	S	69	Low	80.3	Confident	59 Å²	59	80.7 Å²	80.7	41%	0.413	43%	0.432	S	S	.	.	S	Bend	trans	-118.8	158.5	-179.3	53.6	0	0	0	0	112	A307 L308 V313	A307-S311 PolarHBondContact O-N 3.15Å; A307-S311 VanDerWaalsContact O-N 3.16Å; A307-S311 PolarHBondContact O-OG 3.31Å; A307-S311 VanDerWaalsContact O-OG 3.11Å; L308-S311 VanDerWaalsContact O-O 3.12Å; S311-V313 PolarHBondContact O-N 3.08Å; S311-V313 VanDerWaalsContact O-N 3.08Å
312	D	71.1	Confident	80.4	Confident	161 Å²	161	86.7 Å²	86.7	86%	0.861	46%	0.459	S	S	*	.			trans	-60.4	115.2	165.2	-68.7	-46.7	0	0	0	108.6	T314	D312-T314 PolarHBondContact O-N 3.04Å
313	V	65.5	Low	80.2	Confident	82 Å²	82	85.5 Å²	85.5	50%	0.497	46%	0.458	S	S	.	.			trans	-58.5	129.6	-171.7	174.6	0	0	0	0	111.2	L308 S311 E318	L308-V313 HydrophobicContact CD2-CB 4.38Å; L308-V313 HydrophobicContact CD2-CG1 3.95Å; L308-V313 HydrophobicContact CD2-CG2 4.21Å; S311-V313 PolarHBondContact O-N 3.08Å; S311-V313 VanDerWaalsContact O-N 3.08Å; V313-E318 HydrophobicContact CG1-CG 3.49Å; V313-E318 VanDerWaalsContact CG1-CG 3.49Å; V313-E318 WeakPolarHBondContact CG1-OE1 3.35Å
314	T	76.1	Confident	80	Confident	55 Å²	55	84 Å²	84	34%	0.337	44%	0.44	S	S	.	.			trans	-105.1	144.7	170.1	78.3	0	0	0	0	109.9	D312 D316 D317 E318	D312-T314 PolarHBondContact O-N 3.04Å; T314-D316 PolarHBondContact O-N 3.3Å; T314-D317 PolarHBondContact O-N 2.93Å; T314-D317 WeakPolarHBondContact OG1-CB 3.27Å; T314-D317 PolarHBondContact OG1-N 3.44Å; T314-D317 PolarHBondContact OG1-OD2 2.75Å; T314-E318 PolarHBondContact O-N 3Å; T314-E318 VanDerWaalsContact O-N 3.12Å
315	E	78	Confident	80.3	Confident	162 Å²	162	84.7 Å²	84.7	76%	0.757	45%	0.446	S	S	*	.	H	α-helix	trans	-57.2	-34.2	174.4	-62.2	175.9	176.6	0	0	110.8	E318 L319	E315-E318 PolarHBondContact O-N 3.3Å; E315-L319 WeakPolarHBondContact O-CB 3.35Å; E315-L319 WeakPolarHBondContact O-CD1 3.22Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.47Å; E315-L319 PolarHBondContact O-N 3.48Å
316	D	80.7	Confident	80.5	Confident	131 Å²	131	83.7 Å²	83.7	70%	0.701	45%	0.449	S	S	*	.	H	α-helix	trans	-63.1	-40.2	174.9	-70.8	-37.2	0	0	0	112.7	T314 D320	T314-D316 PolarHBondContact O-N 3.3Å; D316-D320 WeakPolarHBondContact O-CB 3.48Å; D316-D320 PolarHBondContact O-N 3.16Å
317	D	79	Confident	80.3	Confident	46 Å²	46	86.2 Å²	86.2	25%	0.246	45%	0.451	C	S	.	.	H	α-helix	trans	-76.3	-31.6	179	-76.8	-66.2	0	0	0	113	K304 L308 T314 D320 V321	K304-D317 IonicContact NZ-OD1 2.66Å; K304-D317 PolarHBondContact NZ-OD1 3.43Å; L308-D317 HydrophobicContact CD2-CB 3.44Å; L308-D317 VanDerWaalsContact CD2-CB 3.44Å; L308-D317 HydrophobicContact CG-CB 4.19Å; T314-D317 PolarHBondContact O-N 2.93Å; T314-D317 WeakPolarHBondContact OG1-CB 3.27Å; T314-D317 PolarHBondContact OG1-N 3.44Å; T314-D317 PolarHBondContact OG1-OD2 2.75Å; D317-D320 PolarHBondContact O-N 2.79Å; D317-V321 PolarHBondContact O-N 2.82Å; D317-V321 VanDerWaalsContact O-N 3.12Å
318	E	82.3	Confident	80.5	Confident	103 Å²	103	86.1 Å²	86.1	48%	0.481	44%	0.443	S	S	.	.	H	α-helix	trans	-63.6	-48.8	170.1	-67.3	-170.1	137.2	0	0	110.5	L308 V313 T314 E315 D320 V321 E322	L308-E318 HydrophobicContact CD1-CG 4.42Å; L308-E318 HydrophobicContact CD2-CG 4.48Å; V313-E318 HydrophobicContact CG1-CG 3.49Å; V313-E318 VanDerWaalsContact CG1-CG 3.49Å; V313-E318 WeakPolarHBondContact CG1-OE1 3.35Å; T314-E318 PolarHBondContact O-N 3Å; T314-E318 VanDerWaalsContact O-N 3.12Å; E315-E318 PolarHBondContact O-N 3.3Å; E318-D320 VanDerWaalsContact C-N 3.28Å; E318-D320 PolarHBondContact O-N 2.95Å; E318-V321 PolarHBondContact O-N 3.31Å; E318-V321 VanDerWaalsContact O-N 3.08Å; E318-E322 PolarHBondContact O-N 3Å
319	L	84.5	Confident	80.8	Confident	99 Å²	99	91 Å²	91	52%	0.518	47%	0.466	S	S	.	.	H	α-helix	trans	-59.8	-35.8	175.3	-72.4	169.1	0	0	0	112.5	E315 L323	E315-L319 WeakPolarHBondContact O-CB 3.35Å; E315-L319 WeakPolarHBondContact O-CD1 3.22Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.47Å; E315-L319 PolarHBondContact O-N 3.48Å; L319-L323 WeakPolarHBondContact O-CB 3.26Å; L319-L323 PolarHBondContact O-N 3.34Å
320	D	83.2	Confident	81	Confident	39 Å²	39	85.4 Å²	85.4	21%	0.209	45%	0.446	C	S	.	.	H	α-helix	trans	-66.8	-37.4	175.7	-153.9	35.6	0	0	0	111.1	K304 D316 D317 E318 L323 Y324	K304-D320 WeakPolarHBondContact CE-OD2 3.28Å; K304-D320 IonicContact NZ-OD2 2.68Å; K304-D320 PolarHBondContact NZ-OD2 2.88Å; D316-D320 WeakPolarHBondContact O-CB 3.48Å; D316-D320 PolarHBondContact O-N 3.16Å; D317-D320 PolarHBondContact O-N 2.79Å; E318-D320 VanDerWaalsContact C-N 3.28Å; E318-D320 PolarHBondContact O-N 2.95Å; D320-L323 PolarHBondContact O-N 3.13Å; D320-Y324 HydrophobicContact CB-CE2 4.34Å; D320-Y324 WeakPolarHBondContact O-CD2 3.36Å; D320-Y324 VanDerWaalsContact O-CE2 3.23Å; D320-Y324 WeakPolarHBondContact O-CE2 3.39Å; D320-Y324 PolarHBondContact O-N 3.26Å; D320-Y324 VanDerWaalsContact O-N 3.08Å; D320-Y324 PolarHBondContact OD1-OH 2.92Å; D320-Y324 WeakPolarHBondContact OD2-CE2 3.36Å; D320-Y324 PolarHBondContact OD2-OH 3.33Å
321	V	82.5	Confident	81.3	Confident	12 Å²	12	77.9 Å²	77.9	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-67.8	-47.7	172.3	166.5	0	0	0	0	112.2	K304 M305 L308 D317 E318 L323 Y324 L325	K304-V321 HydrophobicContact CB-CG2 3.68Å; M305-V321 HydrophobicContact CG-CG1 3.68Å; M305-V321 HydrophobicContact CG-CG2 4.06Å; M305-V321 HydrophobicContact SD-CG1 4.28Å; L308-V321 HydrophobicContact CD1-CB 4.3Å; L308-V321 HydrophobicContact CD1-CG2 3.69Å; D317-V321 PolarHBondContact O-N 2.82Å; D317-V321 VanDerWaalsContact O-N 3.12Å; E318-V321 PolarHBondContact O-N 3.31Å; E318-V321 VanDerWaalsContact O-N 3.08Å; V321-L323 PolarHBondContact O-N 3.22Å; V321-Y324 PolarHBondContact O-N 3.49Å; V321-L325 HydrophobicContact CG1-CD1 3.96Å; V321-L325 HydrophobicContact CG1-CG 4.36Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.41Å
322	E	87	Confident	82	Confident	127 Å²	127	79.4 Å²	79.4	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-55.9	-39.7	174.7	-70.4	-167.9	156.1	0	0	110.9	E318 L325 A326	E318-E322 PolarHBondContact O-N 3Å; E322-L325 PolarHBondContact O-N 3.16Å; E322-A326 VanDerWaalsContact O-CB 3.29Å; E322-A326 WeakPolarHBondContact O-CB 3.49Å; E322-A326 PolarHBondContact O-N 3.3Å
323	L	86.2	Confident	82.6	Confident	79 Å²	79	77.8 Å²	77.8	41%	0.414	40%	0.404	S	S	.	.	H	α-helix	trans	-67.4	-32.1	176.7	-176.2	62.5	0	0	0	113.3	L319 D320 V321 R327	L319-L323 WeakPolarHBondContact O-CB 3.26Å; L319-L323 PolarHBondContact O-N 3.34Å; D320-L323 PolarHBondContact O-N 3.13Å; V321-L323 PolarHBondContact O-N 3.22Å; L323-R327 WeakPolarHBondContact O-CB 3.25Å; L323-R327 VanDerWaalsContact O-CD 3.27Å; L323-R327 WeakPolarHBondContact O-CD 3.49Å; L323-R327 WeakPolarHBondContact O-CG 3.37Å; L323-R327 PolarHBondContact O-N 3.15Å
324	Y	82.3	Confident	83.3	Confident	27 Å²	27	77.6 Å²	77.6	11%	0.106	40%	0.397	C	S	.	.	H	α-helix	trans	-74.7	-37.9	171.1	-64.9	-55.4	0	0	0	112.3	R270 K304 D320 V321 R327 L328	R270-Y324 VanDerWaalsContact NH2-CD1 3.27Å; K304-Y324 HydrophobicContact CB-CD2 4.49Å; K304-Y324 HydrophobicContact CD-CE2 4.5Å; K304-Y324 HydrophobicContact CG-CD2 4.34Å; K304-Y324 HydrophobicContact CG-CE2 4.02Å; D320-Y324 HydrophobicContact CB-CE2 4.34Å; D320-Y324 WeakPolarHBondContact O-CD2 3.36Å; D320-Y324 VanDerWaalsContact O-CE2 3.23Å; D320-Y324 WeakPolarHBondContact O-CE2 3.39Å; D320-Y324 PolarHBondContact O-N 3.26Å; D320-Y324 VanDerWaalsContact O-N 3.08Å; D320-Y324 PolarHBondContact OD1-OH 2.92Å; D320-Y324 WeakPolarHBondContact OD2-CE2 3.36Å; D320-Y324 PolarHBondContact OD2-OH 3.33Å; V321-Y324 PolarHBondContact O-N 3.49Å; Y324-R327 PolarHBondContact O-N 3.47Å; Y324-L328 PolarHBondContact O-N 2.88Å
325	L	86.3	Confident	83.7	Confident	70 Å²	70	79.5 Å²	79.5	37%	0.366	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-49.1	176.6	-67.3	174.2	0	0	0	111.3	A301 V321 E322 R327 L328 E329	A301-L325 HydrophobicContact CB-CD2 4.21Å; V321-L325 HydrophobicContact CG1-CD1 3.96Å; V321-L325 HydrophobicContact CG1-CG 4.36Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.41Å; E322-L325 PolarHBondContact O-N 3.16Å; L325-R327 VanDerWaalsContact C-N 3.26Å; L325-R327 PolarHBondContact O-N 2.86Å; L325-L328 PolarHBondContact O-N 3.14Å; L325-E329 WeakPolarHBondContact O-CG 3.45Å; L325-E329 PolarHBondContact O-N 3.5Å
326	A	88.4	Confident	84	Confident	52 Å²	52	74.5 Å²	74.5	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-33.2	175.5	0	0	0	0	0	112.7	E322 S330	E322-A326 VanDerWaalsContact O-CB 3.29Å; E322-A326 WeakPolarHBondContact O-CB 3.49Å; E322-A326 PolarHBondContact O-N 3.3Å; A326-S330 VanDerWaalsContact O-CB 3.31Å; A326-S330 WeakPolarHBondContact O-CB 3.47Å; A326-S330 PolarHBondContact O-N 3.02Å; A326-S330 PolarHBondContact O-OG 3.23Å
327	R	83.6	Confident	84.1	Confident	91 Å²	91	69.1 Å²	69.1	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-46.3	170.5	-81	168.2	-178.7	146.4	1	111.7	L323 Y324 L325 S330 L331	L323-R327 WeakPolarHBondContact O-CB 3.25Å; L323-R327 VanDerWaalsContact O-CD 3.27Å; L323-R327 WeakPolarHBondContact O-CD 3.49Å; L323-R327 WeakPolarHBondContact O-CG 3.37Å; L323-R327 PolarHBondContact O-N 3.15Å; Y324-R327 PolarHBondContact O-N 3.47Å; L325-R327 VanDerWaalsContact C-N 3.26Å; L325-R327 PolarHBondContact O-N 2.86Å; R327-S330 PolarHBondContact O-N 2.82Å; R327-S330 PolarHBondContact O-OG 3.1Å; R327-L331 WeakPolarHBondContact O-CB 3.3Å; R327-L331 PolarHBondContact O-N 3.16Å
328	L	86.1	Confident	84.3	Confident	42 Å²	42	68.5 Å²	68.5	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-43.5	179	-174.6	151.8	0	0	0	111.6	E297 E298 Y324 L325 L331 M332	E297-L328 HydrophobicContact CB-CD1 4.39Å; E298-L328 HydrophobicContact CB-CD1 3.83Å; E298-L328 HydrophobicContact CG-CD1 4.18Å; Y324-L328 PolarHBondContact O-N 2.88Å; L325-L328 PolarHBondContact O-N 3.14Å; L328-L331 PolarHBondContact O-N 3Å; L328-M332 HydrophobicContact CD2-CG 4.27Å; L328-M332 WeakPolarHBondContact O-CG 3.35Å; L328-M332 PolarHBondContact O-N 3.43Å
329	E	86.7	Confident	84.4	Confident	129 Å²	129	66.6 Å²	66.6	60%	0.603	34%	0.34	S	S	*	.	H	α-helix	trans	-58.2	-48.8	172.1	-70.8	179.6	164.7	0	0	110.8	L325 L331 M332 D333	L325-E329 WeakPolarHBondContact O-CG 3.45Å; L325-E329 PolarHBondContact O-N 3.5Å; E329-L331 VanDerWaalsContact C-N 3.3Å; E329-L331 PolarHBondContact O-N 2.64Å; E329-M332 PolarHBondContact O-N 3.23Å; E329-M332 VanDerWaalsContact O-N 3.12Å; E329-D333 PolarHBondContact O-N 3.21Å
330	S	83.7	Confident	84.4	Confident	55 Å²	55	62.1 Å²	62.1	39%	0.385	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-38.6	176.7	80.7	0	0	0	0	112.5	A326 R327 M332 D333 H334	A326-S330 VanDerWaalsContact O-CB 3.31Å; A326-S330 WeakPolarHBondContact O-CB 3.47Å; A326-S330 PolarHBondContact O-N 3.02Å; A326-S330 PolarHBondContact O-OG 3.23Å; R327-S330 PolarHBondContact O-N 2.82Å; R327-S330 PolarHBondContact O-OG 3.1Å; S330-M332 VanDerWaalsContact C-N 3.34Å; S330-M332 PolarHBondContact O-N 2.92Å; S330-D333 PolarHBondContact O-N 3.12Å; S330-H334 WeakPolarHBondContact O-CB 3.18Å; S330-H334 PolarHBondContact O-N 3.21Å; S330-H334 PolarHBondContact O-ND1 2.97Å
331	L	85	Confident	84.4	Confident	15 Å²	15	61.2 Å²	61.2	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-39.2	177.2	177.1	61.9	0	0	0	111.6	L277 F290 Y293 A294 R327 L328 E329 H334 R335 L338	L277-L331 HydrophobicContact CD1-CD1 4.41Å; F290-L331 HydrophobicContact CD2-CD1 4.12Å; F290-L331 HydrophobicContact CE2-CD1 3.52Å; F290-L331 HydrophobicContact CE2-CG 3.75Å; F290-L331 HydrophobicContact CZ-CD1 4.2Å; F290-L331 HydrophobicContact CZ-CG 3.9Å; Y293-L331 HydrophobicContact CD1-CD1 3.73Å; Y293-L331 HydrophobicContact CD1-CD2 3.42Å; Y293-L331 VanDerWaalsContact CD1-CD2 3.42Å; Y293-L331 HydrophobicContact CD1-CG 4.23Å; Y293-L331 HydrophobicContact CE1-CD1 3.76Å; Y293-L331 HydrophobicContact CE1-CD2 3.72Å; Y293-L331 HydrophobicContact CE1-CG 4.33Å; Y293-L331 HydrophobicContact CG-CD2 4.08Å; A294-L331 HydrophobicContact CB-CD2 4.45Å; R327-L331 WeakPolarHBondContact O-CB 3.3Å; R327-L331 PolarHBondContact O-N 3.16Å; L328-L331 PolarHBondContact O-N 3Å; E329-L331 VanDerWaalsContact C-N 3.3Å; E329-L331 PolarHBondContact O-N 2.64Å; L331-H334 PolarHBondContact O-N 2.93Å; L331-R335 PolarHBondContact O-N 2.8Å; L331-R335 VanDerWaalsContact O-N 3.08Å; L331-L338 HydrophobicContact CD1-CD1 4.34Å
332	M	83.2	Confident	84.2	Confident	90 Å²	90	60.6 Å²	60.6	44%	0.443	31%	0.31	S	S	.	.	H	α-helix	trans	-68.2	-43.6	177.1	-70.8	-64.8	-72.5	0	0	111.8	F290 L328 E329 S330 H334 R335	F290-M332 HydrophobicContact CE1-SD 4.2Å; F290-M332 HydrophobicContact CZ-SD 4.17Å; L328-M332 HydrophobicContact CD2-CG 4.27Å; L328-M332 WeakPolarHBondContact O-CG 3.35Å; L328-M332 PolarHBondContact O-N 3.43Å; E329-M332 PolarHBondContact O-N 3.23Å; E329-M332 VanDerWaalsContact O-N 3.12Å; S330-M332 VanDerWaalsContact C-N 3.34Å; S330-M332 PolarHBondContact O-N 2.92Å; M332-H334 VanDerWaalsContact C-N 3.34Å; M332-H334 PolarHBondContact O-N 3.2Å; M332-R335 WeakPolarHBondContact O-CB 3.24Å; M332-R335 PolarHBondContact O-N 2.88Å
333	D	84.3	Confident	83.9	Confident	128 Å²	128	57 Å²	57	68%	0.684	29%	0.294	S	S	*	.	H	α-helix	trans	-65.7	-34	174.8	-81.3	-11.2	0	0	0	112.8	E329 S330 R335 P336	E329-D333 PolarHBondContact O-N 3.21Å; S330-D333 PolarHBondContact O-N 3.12Å; D333-R335 VanDerWaalsContact C-N 3.34Å; D333-P336 VanDerWaalsContact O-CD 3.23Å; D333-P336 WeakPolarHBondContact O-CD 3.32Å
334	H	81	Confident	83.6	Confident	77 Å²	77	53.7 Å²	53.7	36%	0.356	28%	0.277	S	S	.	.	H	α-helix	trans	-79.3	-12	175.2	-73.6	79.5	0	0	0	113.4	S330 L331 M332 P336 L337 L338 Q364	S330-H334 WeakPolarHBondContact O-CB 3.18Å; S330-H334 PolarHBondContact O-N 3.21Å; S330-H334 PolarHBondContact O-ND1 2.97Å; L331-H334 PolarHBondContact O-N 2.93Å; M332-H334 VanDerWaalsContact C-N 3.34Å; M332-H334 PolarHBondContact O-N 3.2Å; H334-P336 VanDerWaalsContact C-CD 3.47Å; H334-L337 WeakPolarHBondContact O-CB 3.4Å; H334-L337 PolarHBondContact O-N 3.47Å; H334-L338 HydrophobicContact CB-CD1 4.2Å; H334-L338 HydrophobicContact CB-CG 4.37Å; H334-L338 WeakPolarHBondContact O-CB 3.38Å; H334-L338 WeakPolarHBondContact O-CG 3.3Å; H334-L338 PolarHBondContact O-N 3.35Å; H334-Q364 PolarHBondContact NE2-NE2 3.21Å
335	R	84.6	Confident	83.4	Confident	95 Å²	95	56.5 Å²	56.5	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-51.5	-44.3	-179.3	-168.2	-177.2	-165.4	-175.6	10.5	113.8	F290 D291 L331 M332 D333 L339	F290-R335 HydrophobicContact CD1-CG 4.36Å; F290-R335 HydrophobicContact CD2-CG 4.26Å; F290-R335 HydrophobicContact CE1-CB 4.41Å; F290-R335 HydrophobicContact CE1-CG 3.84Å; F290-R335 HydrophobicContact CE2-CB 3.78Å; F290-R335 HydrophobicContact CE2-CG 3.7Å; F290-R335 HydrophobicContact CZ-CB 3.61Å; F290-R335 HydrophobicContact CZ-CG 3.48Å; F290-R335 VanDerWaalsContact CZ-CG 3.48Å; D291-R335 IonicContact OD1-NH2 3.45Å; D291-R335 PolarHBondContact OD1-NH2 2.69Å; L331-R335 PolarHBondContact O-N 2.8Å; L331-R335 VanDerWaalsContact O-N 3.08Å; M332-R335 WeakPolarHBondContact O-CB 3.24Å; M332-R335 PolarHBondContact O-N 2.88Å; D333-R335 VanDerWaalsContact C-N 3.34Å; R335-L339 VanDerWaalsContact O-CB 3.28Å; R335-L339 WeakPolarHBondContact O-CB 3.44Å; R335-L339 PolarHBondContact O-N 2.85Å
336	P	84.2	Confident	82.9	Confident	57 Å²	57	57 Å²	57	37%	0.37	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-36.9	177.9	-19.7	35	0	0	0	112.8	D333 H334 N340 L360	D333-P336 VanDerWaalsContact O-CD 3.23Å; D333-P336 WeakPolarHBondContact O-CD 3.32Å; H334-P336 VanDerWaalsContact C-CD 3.47Å; P336-N340 WeakPolarHBondContact O-CB 3.2Å; P336-N340 PolarHBondContact O-N 3.19Å; P336-L360 HydrophobicContact CB-CD1 3.85Å; P336-L360 HydrophobicContact CB-CD2 3.8Å; P336-L360 HydrophobicContact CB-CG 4.44Å
337	L	82.4	Confident	82.2	Confident	19 Å²	19	59.1 Å²	59.1	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-68.9	-42.7	178.4	-63.7	169.8	0	0	0	111.3	H334 N340 S341 L360 L361	H334-L337 WeakPolarHBondContact O-CB 3.4Å; H334-L337 PolarHBondContact O-N 3.47Å; L337-N340 PolarHBondContact O-N 3.01Å; L337-S341 PolarHBondContact O-N 3.32Å; L337-L360 HydrophobicContact CD2-CB 3.58Å; L337-L360 HydrophobicContact CD2-CD1 4.47Å; L337-L361 HydrophobicContact CD1-CD2 4.45Å; L337-L361 HydrophobicContact CD2-CD2 3.7Å; L337-L361 HydrophobicContact CD2-CG 4.01Å
338	L	82.6	Confident	82	Confident	33 Å²	33	57.2 Å²	57.2	17%	0.173	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-47.4	175.5	-69.9	171.9	0	0	0	111.3	L277 F286 F290 L331 H334 N340 S341 V342	L277-L338 HydrophobicContact CD1-CD1 4.47Å; F286-L338 HydrophobicContact CE2-CB 3.73Å; F286-L338 HydrophobicContact CZ-CB 3.59Å; F290-L338 HydrophobicContact CE2-CD1 4.47Å; L331-L338 HydrophobicContact CD1-CD1 4.34Å; H334-L338 HydrophobicContact CB-CD1 4.2Å; H334-L338 HydrophobicContact CB-CG 4.37Å; H334-L338 WeakPolarHBondContact O-CB 3.38Å; H334-L338 WeakPolarHBondContact O-CG 3.3Å; H334-L338 PolarHBondContact O-N 3.35Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 2.8Å; L338-S341 WeakPolarHBondContact O-CA 3.48Å; L338-S341 WeakPolarHBondContact O-CB 3.34Å; L338-S341 PolarHBondContact O-N 2.91Å; L338-S341 VanDerWaalsContact O-N 3.07Å; L338-S341 PolarHBondContact O-OG 3.49Å; L338-V342 PolarHBondContact O-N 3.09Å
339	L	85.4	Confident	81.5	Confident	62 Å²	62	57.5 Å²	57.5	33%	0.325	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-41.7	175.1	178.8	60.8	0	0	0	111.8	V283 F286 R335 S341 V342 L343	V283-L339 HydrophobicContact CG1-CD1 3.97Å; V283-L339 HydrophobicContact CG2-CD1 4.04Å; F286-L339 HydrophobicContact CD1-CD1 4.05Å; F286-L339 HydrophobicContact CE1-CB 3.96Å; F286-L339 HydrophobicContact CE1-CD1 4.19Å; F286-L339 HydrophobicContact CZ-CB 4.44Å; R335-L339 VanDerWaalsContact O-CB 3.28Å; R335-L339 WeakPolarHBondContact O-CB 3.44Å; R335-L339 PolarHBondContact O-N 2.85Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.04Å; L339-V342 WeakPolarHBondContact O-CB 3.49Å; L339-V342 PolarHBondContact O-N 2.98Å; L339-L343 WeakPolarHBondContact O-CG 3.4Å; L339-L343 PolarHBondContact O-N 2.94Å; L339-L343 VanDerWaalsContact O-N 3.11Å
340	N	83.2	Confident	81.1	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.032	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-42	172.8	175.7	-90.5	0	0	0	111.7	P336 L337 L338 V342 L343 L344 D353 R357 L360	P336-N340 WeakPolarHBondContact O-CB 3.2Å; P336-N340 PolarHBondContact O-N 3.19Å; L337-N340 PolarHBondContact O-N 3.01Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 2.8Å; N340-V342 VanDerWaalsContact C-N 3.3Å; N340-V342 PolarHBondContact O-N 3.04Å; N340-L343 PolarHBondContact O-N 3.12Å; N340-L344 WeakPolarHBondContact O-CG 3.25Å; N340-L344 PolarHBondContact O-N 2.84Å; N340-L344 WeakPolarHBondContact OD1-CD1 3.31Å; N340-D353 PolarHBondContact ND2-O 3.16Å; N340-R357 WeakPolarHBondContact OD1-CB 3.39Å; N340-R357 WeakPolarHBondContact OD1-CD 3.38Å; N340-R357 WeakPolarHBondContact OD1-CG 3.22Å; N340-L360 HydrophobicContact CB-CD1 4.22Å
341	S	83.6	Confident	80.8	Confident	19 Å²	19	50 Å²	50	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-36.2	175.2	84.2	0	0	0	0	112.9	L337 L338 L339 L344 R345	L337-S341 PolarHBondContact O-N 3.32Å; L338-S341 WeakPolarHBondContact O-CA 3.48Å; L338-S341 WeakPolarHBondContact O-CB 3.34Å; L338-S341 PolarHBondContact O-N 2.91Å; L338-S341 VanDerWaalsContact O-N 3.07Å; L338-S341 PolarHBondContact O-OG 3.49Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.04Å; S341-L344 PolarHBondContact O-N 3.26Å; S341-R345 WeakPolarHBondContact O-CG 3.26Å; S341-R345 PolarHBondContact O-N 3.49Å; S341-R345 PolarHBondContact OG-NH1 2.97Å
342	V	79	Confident	80.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-44.1	174.7	176.3	0	0	0	0	111.1	S281 V283 F286 L338 L339 N340 L344 R345 Q346	S281-V342 VanDerWaalsContact O-CG1 3.31Å; S281-V342 WeakPolarHBondContact O-CG1 3.31Å; V283-V342 HydrophobicContact CG2-CG1 3.99Å; F286-V342 HydrophobicContact CB-CG1 4.43Å; F286-V342 HydrophobicContact CB-CG2 3.96Å; F286-V342 HydrophobicContact CD1-CG2 4.49Å; F286-V342 HydrophobicContact CD2-CG2 3.51Å; F286-V342 HydrophobicContact CE2-CG2 4.13Å; F286-V342 HydrophobicContact CG-CG2 3.72Å; L338-V342 PolarHBondContact O-N 3.09Å; L339-V342 WeakPolarHBondContact O-CB 3.49Å; L339-V342 PolarHBondContact O-N 2.98Å; N340-V342 VanDerWaalsContact C-N 3.3Å; N340-V342 PolarHBondContact O-N 3.04Å; V342-L344 VanDerWaalsContact C-N 3.33Å; V342-L344 PolarHBondContact O-N 3.49Å; V342-R345 PolarHBondContact O-N 3.12Å; V342-Q346 WeakPolarHBondContact O-CG 3.41Å; V342-Q346 PolarHBondContact O-N 3.23Å
343	L	80.1	Confident	80.4	Confident	50 Å²	50	47 Å²	47	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-62.4	-39.8	176.4	-65.9	173	0	0	0	111.9	V283 L339 N340 Q346 N347	V283-L343 HydrophobicContact CG2-CD2 3.97Å; L339-L343 WeakPolarHBondContact O-CG 3.4Å; L339-L343 PolarHBondContact O-N 2.94Å; L339-L343 VanDerWaalsContact O-N 3.11Å; N340-L343 PolarHBondContact O-N 3.12Å; L343-Q346 WeakPolarHBondContact O-CB 3.33Å; L343-Q346 PolarHBondContact O-N 2.92Å; L343-N347 PolarHBondContact O-N 2.93Å
344	L	80.5	Confident	80.4	Confident	11 Å²	11	41.3 Å²	41.3	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-69.8	-32.5	174.9	-67.6	175.7	0	0	0	112.8	N340 S341 V342 Q346 N347 P348 D353 W354 R357	N340-L344 WeakPolarHBondContact O-CG 3.25Å; N340-L344 PolarHBondContact O-N 2.84Å; N340-L344 WeakPolarHBondContact OD1-CD1 3.31Å; S341-L344 PolarHBondContact O-N 3.26Å; V342-L344 VanDerWaalsContact C-N 3.33Å; V342-L344 PolarHBondContact O-N 3.49Å; L344-Q346 VanDerWaalsContact C-N 3.3Å; L344-Q346 PolarHBondContact O-N 3.09Å; L344-N347 CarbonylContact O-C 3.56Å; L344-N347 PolarHBondContact O-N 3.28Å; L344-P348 VanDerWaalsContact O-CA 3.3Å; L344-P348 WeakPolarHBondContact O-CA 3.17Å; L344-P348 VanDerWaalsContact O-CD 3.3Å; L344-P348 WeakPolarHBondContact O-CD 3.46Å; L344-P348 WeakPolarHBondContact O-CG 3.48Å; L344-D353 HydrophobicContact CD2-CB 3.68Å; L344-D353 HydrophobicContact CG-CB 4.32Å; L344-W354 HydrophobicContact CB-CZ2 4.41Å; L344-W354 HydrophobicContact CD1-CD2 3.91Å; L344-W354 HydrophobicContact CD1-CE3 3.85Å; L344-W354 HydrophobicContact CD1-CH2 3.82Å; L344-W354 HydrophobicContact CD1-CZ2 3.93Å; L344-W354 HydrophobicContact CD1-CZ3 3.81Å; L344-W354 HydrophobicContact CD2-CD2 3.85Å; L344-W354 HydrophobicContact CD2-CG 3.93Å; L344-W354 HydrophobicContact CD2-CZ2 4.07Å; L344-W354 HydrophobicContact CG-CZ2 4.37Å; L344-R357 HydrophobicContact CD1-CB 4.42Å; L344-R357 VanDerWaalsContact CD1-CD 3.42Å
345	R	78.2	Confident	80.4	Confident	85 Å²	85	40.2 Å²	40.2	32%	0.321	21%	0.207	S	C	.	.	H	α-helix	trans	-67.3	-27.5	169.6	-74.4	-168.4	-62.9	-95.7	11	112.9	L277 N278 V280 S341 V342	L277-R345 PolarHBondContact O-NH2 3.08Å; N278-R345 PolarHBondContact O-NE 2.97Å; N278-R345 PolarHBondContact O-NH1 2.73Å; N278-R345 PolarHBondContact O-NH2 3.42Å; V280-R345 PolarHBondContact O-NE 3.26Å; V280-R345 PolarHBondContact O-NH2 3.34Å; S341-R345 WeakPolarHBondContact O-CG 3.26Å; S341-R345 PolarHBondContact O-N 3.49Å; S341-R345 PolarHBondContact OG-NH1 2.97Å; V342-R345 PolarHBondContact O-N 3.12Å
346	Q	75	Confident	80.2	Confident	81 Å²	81	40.6 Å²	40.6	38%	0.379	21%	0.211	S	C	.	.	H	α-helix	trans	-75.9	-45.7	171.4	-67.6	172.9	14	0	0	112.3	S281 V342 L343 L344	S281-Q346 WeakPolarHBondContact O-CG 3.21Å; S281-Q346 PolarHBondContact O-NE2 3.05Å; V342-Q346 WeakPolarHBondContact O-CG 3.41Å; V342-Q346 PolarHBondContact O-N 3.23Å; L343-Q346 WeakPolarHBondContact O-CB 3.33Å; L343-Q346 PolarHBondContact O-N 2.92Å; L344-Q346 VanDerWaalsContact C-N 3.3Å; L344-Q346 PolarHBondContact O-N 3.09Å
347	N	75.2	Confident	80	Confident	96 Å²	96	40 Å²	40	51%	0.513	20%	0.202	S	C	.	.			trans	-135.4	79.8	-175.2	-68.6	-76.4	0	0	0	111.6	L343 L344 H349 N350	L343-N347 PolarHBondContact O-N 2.93Å; L344-N347 CarbonylContact O-C 3.56Å; L344-N347 PolarHBondContact O-N 3.28Å; N347-H349 PolarHBondContact O-N 3.45Å; N347-N350 HydrophobicContact CB-CB 4.14Å; N347-N350 PolarHBondContact O-N 3.44Å
348	P	78.6	Confident	79.7	Confident	52 Å²	52	39.7 Å²	39.7	34%	0.338	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.2	-179.2	-25.2	33.8	0	0	0	114.6	L344 W354 S379 V380	L344-P348 VanDerWaalsContact O-CA 3.3Å; L344-P348 WeakPolarHBondContact O-CA 3.17Å; L344-P348 VanDerWaalsContact O-CD 3.3Å; L344-P348 WeakPolarHBondContact O-CD 3.46Å; L344-P348 WeakPolarHBondContact O-CG 3.48Å; P348-W354 PolarHBondContact O-NE1 2.91Å; P348-S379 PolarHBondContact O-OG 3.16Å; P348-V380 WeakPolarHBondContact O-CG2 3.49Å
349	H	74.4	Confident	79.6	Confident	48 Å²	48	43.7 Å²	43.7	22%	0.222	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.7	179.9	-45.5	-41.9	0	0	0	114	N347 V351 S379 D381 K384 S385 T386	N347-H349 PolarHBondContact O-N 3.45Å; H349-V351 PolarHBondContact O-N 2.77Å; H349-S379 PolarHBondContact CE1-O 2.95Å; H349-S379 PolarHBondContact ND1-O 3.14Å; H349-D381 IonicContact CE1-OD2 3.14Å; H349-D381 IonicContact NE2-OD2 3.99Å; H349-K384 HydrophobicContact CB-CB 4.4Å; H349-K384 VanDerWaalsContact NE2-CD 3.27Å; H349-K384 WeakPolarHBondContact NE2-CD 3.38Å; H349-S385 WeakPolarHBondContact O-CA 3.48Å; H349-T386 PolarHBondContact O-N 3.01Å
350	N	80	Confident	79.2	Confident	25 Å²	25	44 Å²	44	13%	0.134	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-82.4	103.2	177.1	-174.1	1.7	0	0	0	111.8	N347 A352 D353 W354 T386	N347-N350 HydrophobicContact CB-CB 4.14Å; N347-N350 PolarHBondContact O-N 3.44Å; N350-A352 VanDerWaalsContact C-N 3.31Å; N350-A352 PolarHBondContact O-N 2.96Å; N350-A352 PolarHBondContact OD1-N 3.32Å; N350-D353 HydrophobicContact CB-CB 4.38Å; N350-D353 PolarHBondContact ND2-OD2 3.02Å; N350-D353 PolarHBondContact O-N 3.41Å; N350-W354 VanDerWaalsContact O-CD1 3.25Å; N350-W354 PolarHBondContact O-N 2.97Å; N350-T386 PolarHBondContact OD1-O 3.1Å
351	V	75.7	Confident	78.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-36.3	-179.7	170.5	0	0	0	0	112.5	H349 D353 W354 L355 V380 P390 S392 L393	H349-V351 PolarHBondContact O-N 2.77Å; V351-D353 VanDerWaalsContact C-N 3.33Å; V351-D353 PolarHBondContact O-N 3.35Å; V351-W354 PolarHBondContact O-N 3.03Å; V351-L355 HydrophobicContact CG1-CD1 4.31Å; V351-L355 WeakPolarHBondContact O-CG 3.49Å; V351-L355 PolarHBondContact O-N 3.17Å; V351-V380 HydrophobicContact CG2-CG1 3.87Å; V351-P390 HydrophobicContact CG2-CG 4.48Å; V351-S392 VanDerWaalsContact CG1-OG 3.32Å; V351-S392 WeakPolarHBondContact CG1-OG 3.16Å; V351-L393 HydrophobicContact CG1-CD1 4.47Å; V351-L393 HydrophobicContact CG1-CD2 4.14Å; V351-L393 HydrophobicContact CG1-CG 4.01Å; V351-L393 HydrophobicContact CG2-CD1 4.26Å
352	A	81	Confident	78.3	Confident	31 Å²	31	49.2 Å²	49.2	26%	0.256	24%	0.24	S	C	.	.	H	α-helix	trans	-67.9	-31.3	-179.3	0	0	0	0	0	113.1	N350 L355 K356 A387	N350-A352 VanDerWaalsContact C-N 3.31Å; N350-A352 PolarHBondContact O-N 2.96Å; N350-A352 PolarHBondContact OD1-N 3.32Å; A352-L355 PolarHBondContact O-N 2.86Å; A352-K356 VanDerWaalsContact O-CG 3.31Å; A352-K356 WeakPolarHBondContact O-CG 3.46Å; A352-K356 PolarHBondContact O-N 3.11Å; A352-A387 VanDerWaalsContact CB-O 3.31Å; A352-A387 WeakPolarHBondContact CB-O 3.37Å
353	D	80.6	Confident	77.8	Confident	11 Å²	11	54 Å²	54	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-78.5	-30.4	178.1	-69.1	-22.9	0	0	0	111.9	N340 L344 N350 V351 K356 R357	N340-D353 PolarHBondContact ND2-O 3.16Å; L344-D353 HydrophobicContact CD2-CB 3.68Å; L344-D353 HydrophobicContact CG-CB 4.32Å; N350-D353 HydrophobicContact CB-CB 4.38Å; N350-D353 PolarHBondContact ND2-OD2 3.02Å; N350-D353 PolarHBondContact O-N 3.41Å; V351-D353 VanDerWaalsContact C-N 3.33Å; V351-D353 PolarHBondContact O-N 3.35Å; D353-K356 PolarHBondContact O-N 2.66Å; D353-K356 WeakPolarHBondContact OD1-CD 3.3Å; D353-K356 WeakPolarHBondContact OD1-CE 3.46Å; D353-K356 IonicContact OD1-NZ 3.41Å; D353-K356 PolarHBondContact OD1-NZ 3.23Å; D353-R357 PolarHBondContact O-N 3.49Å
354	W	84	Confident	76.9	Confident	9 Å²	9	55.3 Å²	55.3	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-64.8	-40.8	167.4	-75.5	110.9	0	0	0	112.4	L344 P348 N350 V351 R357 V358 A372 E375 G376 S379 L393	L344-W354 HydrophobicContact CB-CZ2 4.41Å; L344-W354 HydrophobicContact CD1-CD2 3.91Å; L344-W354 HydrophobicContact CD1-CE3 3.85Å; L344-W354 HydrophobicContact CD1-CH2 3.82Å; L344-W354 HydrophobicContact CD1-CZ2 3.93Å; L344-W354 HydrophobicContact CD1-CZ3 3.81Å; L344-W354 HydrophobicContact CD2-CD2 3.85Å; L344-W354 HydrophobicContact CD2-CG 3.93Å; L344-W354 HydrophobicContact CD2-CZ2 4.07Å; L344-W354 HydrophobicContact CG-CZ2 4.37Å; P348-W354 PolarHBondContact O-NE1 2.91Å; N350-W354 VanDerWaalsContact O-CD1 3.25Å; N350-W354 PolarHBondContact O-N 2.97Å; V351-W354 PolarHBondContact O-N 3.03Å; W354-R357 WeakPolarHBondContact O-CB 3.38Å; W354-R357 PolarHBondContact O-N 2.65Å; W354-V358 PolarHBondContact O-N 2.56Å; W354-V358 VanDerWaalsContact O-N 3.1Å; W354-A372 WeakPolarHBondContact CZ3-O 3.41Å; W354-E375 HydrophobicContact CH2-CB 3.97Å; W354-E375 VanDerWaalsContact CH2-CD 3.45Å; W354-E375 HydrophobicContact CH2-CG 3.52Å; W354-E375 HydrophobicContact CZ3-CB 3.82Å; W354-E375 HydrophobicContact CZ3-CG 3.84Å; W354-E375 WeakPolarHBondContact CZ3-OE2 3.34Å; W354-G376 VanDerWaalsContact CE2-CA 3.45Å; W354-S379 WeakPolarHBondContact CZ2-OG 3.43Å; W354-S379 PolarHBondContact NE1-OG 2.9Å; W354-L393 HydrophobicContact CB-CD1 4.5Å; W354-L393 HydrophobicContact CB-CD2 3.8Å
355	L	81.3	Confident	76.6	Confident	55 Å²	55	56 Å²	56	29%	0.288	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-46.6	172.8	-70	173.9	0	0	0	111	V351 A352 R357 V358 E359 F373 L393	V351-L355 HydrophobicContact CG1-CD1 4.31Å; V351-L355 WeakPolarHBondContact O-CG 3.49Å; V351-L355 PolarHBondContact O-N 3.17Å; A352-L355 PolarHBondContact O-N 2.86Å; L355-R357 VanDerWaalsContact C-N 3.28Å; L355-R357 PolarHBondContact O-N 2.91Å; L355-V358 WeakPolarHBondContact O-CB 3.46Å; L355-V358 PolarHBondContact O-N 3.1Å; L355-V358 VanDerWaalsContact O-N 3.16Å; L355-E359 VanDerWaalsContact O-CG 3.31Å; L355-E359 WeakPolarHBondContact O-CG 3.4Å; L355-E359 PolarHBondContact O-N 3.06Å; L355-F373 HydrophobicContact CD2-CE1 4.17Å; L355-L393 HydrophobicContact CD2-CD2 3.99Å; L355-L393 HydrophobicContact CG-CD2 4.1Å
356	K	79.8	Confident	76.4	Confident	102 Å²	102	52.9 Å²	52.9	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-57	-38.8	173.5	-68.7	168.3	-157.8	164.6	0	112.6	A352 D353 E359 L360	A352-K356 VanDerWaalsContact O-CG 3.31Å; A352-K356 WeakPolarHBondContact O-CG 3.46Å; A352-K356 PolarHBondContact O-N 3.11Å; D353-K356 PolarHBondContact O-N 2.66Å; D353-K356 WeakPolarHBondContact OD1-CD 3.3Å; D353-K356 WeakPolarHBondContact OD1-CE 3.46Å; D353-K356 IonicContact OD1-NZ 3.41Å; D353-K356 PolarHBondContact OD1-NZ 3.23Å; K356-E359 PolarHBondContact O-N 3.12Å; K356-L360 WeakPolarHBondContact O-CG 3.34Å; K356-L360 PolarHBondContact O-N 2.92Å
357	R	78.5	Confident	76.6	Confident	46 Å²	46	59 Å²	59	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-52.5	174.9	-169.2	165.9	165.3	83.4	-15	110.4	N340 L344 D353 W354 L355 E359 L360 L361 A372 E375	N340-R357 WeakPolarHBondContact OD1-CB 3.39Å; N340-R357 WeakPolarHBondContact OD1-CD 3.38Å; N340-R357 WeakPolarHBondContact OD1-CG 3.22Å; L344-R357 HydrophobicContact CD1-CB 4.42Å; L344-R357 VanDerWaalsContact CD1-CD 3.42Å; D353-R357 PolarHBondContact O-N 3.49Å; W354-R357 WeakPolarHBondContact O-CB 3.38Å; W354-R357 PolarHBondContact O-N 2.65Å; L355-R357 VanDerWaalsContact C-N 3.28Å; L355-R357 PolarHBondContact O-N 2.91Å; R357-E359 VanDerWaalsContact C-N 3.27Å; R357-E359 PolarHBondContact O-N 3.45Å; R357-L360 PolarHBondContact O-N 3.04Å; R357-L361 HydrophobicContact CG-CD1 3.89Å; R357-L361 WeakPolarHBondContact O-CB 3.15Å; R357-L361 WeakPolarHBondContact O-CG 3.1Å; R357-L361 PolarHBondContact O-N 3.23Å; R357-A372 HydrophobicContact CG-CB 4.03Å; R357-E375 IonicContact CZ-OE2 3.16Å; R357-E375 IonicContact NE-OE2 2.87Å; R357-E375 PolarHBondContact NE-OE2 3.33Å; R357-E375 VanDerWaalsContact NE-OE2 3.16Å; R357-E375 IonicContact NH2-OE1 2.73Å; R357-E375 IonicContact NH2-OE2 3.25Å; R357-E375 PolarHBondContact NH2-OE2 3.28Å
358	V	76.8	Confident	76.7	Confident	12 Å²	12	58.6 Å²	58.6	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-36.4	175.6	169.7	0	0	0	0	112.1	W354 L355 K362 Q369 A372 F373	W354-V358 PolarHBondContact O-N 2.56Å; W354-V358 VanDerWaalsContact O-N 3.1Å; L355-V358 WeakPolarHBondContact O-CB 3.46Å; L355-V358 PolarHBondContact O-N 3.1Å; L355-V358 VanDerWaalsContact O-N 3.16Å; V358-K362 PolarHBondContact O-N 3.07Å; V358-Q369 HydrophobicContact CG1-CB 4.26Å; V358-Q369 HydrophobicContact CG1-CG 4.4Å; V358-Q369 PolarHBondContact O-NE2 3.29Å; V358-A372 HydrophobicContact CG2-CB 4.29Å; V358-F373 HydrophobicContact CB-CE2 4.24Å; V358-F373 HydrophobicContact CB-CZ 4.18Å; V358-F373 HydrophobicContact CG1-CD2 4.27Å; V358-F373 HydrophobicContact CG1-CE2 3.54Å; V358-F373 HydrophobicContact CG1-CZ 3.73Å; V358-F373 HydrophobicContact CG2-CD1 3.99Å; V358-F373 HydrophobicContact CG2-CD2 3.8Å; V358-F373 HydrophobicContact CG2-CE1 3.92Å; V358-F373 HydrophobicContact CG2-CE2 3.76Å; V358-F373 HydrophobicContact CG2-CG 3.92Å; V358-F373 HydrophobicContact CG2-CZ 3.81Å
359	E	80.7	Confident	76.8	Confident	116 Å²	116	57 Å²	57	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-70.1	-35.6	177.6	-63.7	-145.5	105.8	0	0	113.9	L355 K356 R357 K362	L355-E359 VanDerWaalsContact O-CG 3.31Å; L355-E359 WeakPolarHBondContact O-CG 3.4Å; L355-E359 PolarHBondContact O-N 3.06Å; K356-E359 PolarHBondContact O-N 3.12Å; R357-E359 VanDerWaalsContact C-N 3.27Å; R357-E359 PolarHBondContact O-N 3.45Å; E359-K362 WeakPolarHBondContact O-CB 3.41Å; E359-K362 VanDerWaalsContact O-CD 3.25Å; E359-K362 WeakPolarHBondContact O-CD 3.5Å; E359-K362 VanDerWaalsContact O-CG 3.23Å; E359-K362 WeakPolarHBondContact O-CG 3.28Å; E359-K362 IonicContact OE1-NZ 3.79Å; E359-K362 PolarHBondContact OE1-NZ 3.37Å
360	L	76.5	Confident	77.1	Confident	68 Å²	68	55.2 Å²	55.2	36%	0.356	28%	0.276	S	S	.	.	H	α-helix	trans	-72.4	-40.2	173.7	-67	168.4	0	0	0	111.2	P336 L337 N340 K356 R357 K362 S363	P336-L360 HydrophobicContact CB-CD1 3.85Å; P336-L360 HydrophobicContact CB-CD2 3.8Å; P336-L360 HydrophobicContact CB-CG 4.44Å; L337-L360 HydrophobicContact CD2-CB 3.58Å; L337-L360 HydrophobicContact CD2-CD1 4.47Å; N340-L360 HydrophobicContact CB-CD1 4.22Å; K356-L360 WeakPolarHBondContact O-CG 3.34Å; K356-L360 PolarHBondContact O-N 2.92Å; R357-L360 PolarHBondContact O-N 3.04Å; L360-K362 PolarHBondContact O-N 3.46Å; L360-S363 PolarHBondContact O-OG 2.91Å
361	L	77	Confident	77.3	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	3	176.2	-66.9	172.7	0	0	0	114.4	L337 R357 S363 Q364 G365 E368 Q369 A372	L337-L361 HydrophobicContact CD1-CD2 4.45Å; L337-L361 HydrophobicContact CD2-CD2 3.7Å; L337-L361 HydrophobicContact CD2-CG 4.01Å; R357-L361 HydrophobicContact CG-CD1 3.89Å; R357-L361 WeakPolarHBondContact O-CB 3.15Å; R357-L361 WeakPolarHBondContact O-CG 3.1Å; R357-L361 PolarHBondContact O-N 3.23Å; L361-S363 PolarHBondContact O-N 3.46Å; L361-Q364 PolarHBondContact O-N 3.45Å; L361-G365 PolarHBondContact O-N 2.91Å; L361-E368 HydrophobicContact CD2-CB 4.4Å; L361-Q369 HydrophobicContact CB-CG 3.92Å; L361-A372 HydrophobicContact CD1-CB 3.44Å; L361-A372 VanDerWaalsContact CD1-CB 3.44Å
362	K	70.8	Confident	77.4	Confident	124 Å²	124	56.4 Å²	56.4	54%	0.539	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.3	172.7	-74.6	173	-172.4	152.4	0	112.9	V358 E359 L360 Q369	V358-K362 PolarHBondContact O-N 3.07Å; E359-K362 WeakPolarHBondContact O-CB 3.41Å; E359-K362 VanDerWaalsContact O-CD 3.25Å; E359-K362 WeakPolarHBondContact O-CD 3.5Å; E359-K362 VanDerWaalsContact O-CG 3.23Å; E359-K362 WeakPolarHBondContact O-CG 3.28Å; E359-K362 IonicContact OE1-NZ 3.79Å; E359-K362 PolarHBondContact OE1-NZ 3.37Å; L360-K362 PolarHBondContact O-N 3.46Å; K362-Q369 VanDerWaalsContact CG-NE2 3.26Å
363	S	68.1	Low	77.4	Confident	101 Å²	101	55.2 Å²	55.2	71%	0.706	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-39.4	178.3	51.6	0	0	0	0	113.6	L360 L361	L360-S363 PolarHBondContact O-OG 2.91Å; L361-S363 PolarHBondContact O-N 3.46Å
364	Q	63.2	Low	77.4	Confident	77 Å²	77	58.3 Å²	58.3	36%	0.36	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.1	-174.9	-64.1	177.3	-60.1	0	0	112.9	H334 L361 E368	H334-Q364 PolarHBondContact NE2-NE2 3.21Å; L361-Q364 PolarHBondContact O-N 3.45Å; Q364-E368 VanDerWaalsContact CB-OE2 3.23Å; Q364-E368 WeakPolarHBondContact CB-OE2 3.31Å
365	G	73.4	Confident	77.4	Confident	26 Å²	26	61.9 Å²	61.9	27%	0.268	31%	0.31	S	S	.	.			trans	114.2	166.3	161.8	0	0	0	0	0	115	L361 R367 E368 Q369	L361-G365 PolarHBondContact O-N 2.91Å; G365-R367 PolarHBondContact O-N 2.94Å; G365-R367 VanDerWaalsContact O-N 3.08Å; G365-E368 PolarHBondContact O-N 3.05Å; G365-Q369 PolarHBondContact O-N 3.41Å
366	A	74.8	Confident	77.3	Confident	20 Å²	20	59.2 Å²	59.2	17%	0.165	30%	0.296	C	S	.	.	H	α-helix	trans	-56.8	-32.5	-167.3	0	0	0	0	0	114.9	E368 Q369 I370 H404	A366-E368 VanDerWaalsContact C-N 3.31Å; A366-E368 PolarHBondContact O-N 3.38Å; A366-Q369 PolarHBondContact O-N 3.39Å; A366-I370 WeakPolarHBondContact O-CB 3.33Å; A366-I370 VanDerWaalsContact O-CG1 3.28Å; A366-I370 WeakPolarHBondContact O-CG1 3.19Å; A366-I370 PolarHBondContact O-N 2.96Å; A366-H404 WeakPolarHBondContact CB-NE2 3.49Å
367	R	78.6	Confident	77.3	Confident	210 Å²	210	56.2 Å²	56.2	79%	0.792	29%	0.285	S	S	*	.	H	α-helix	trans	-60.9	-39.5	177.6	-177.2	177	178.3	170.4	-0.6	112.1	G365 A371	G365-R367 PolarHBondContact O-N 2.94Å; G365-R367 VanDerWaalsContact O-N 3.08Å; R367-A371 PolarHBondContact O-N 3.09Å
368	E	76.9	Confident	77.5	Confident	86 Å²	86	59.9 Å²	59.9	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-79.5	-32.9	-179.7	-59.9	-166	174.6	0	0	111.5	L361 Q364 G365 A366 A371 A372	L361-E368 HydrophobicContact CD2-CB 4.4Å; Q364-E368 VanDerWaalsContact CB-OE2 3.23Å; Q364-E368 WeakPolarHBondContact CB-OE2 3.31Å; G365-E368 PolarHBondContact O-N 3.05Å; A366-E368 VanDerWaalsContact C-N 3.31Å; A366-E368 PolarHBondContact O-N 3.38Å; E368-A371 WeakPolarHBondContact O-CB 3.34Å; E368-A371 PolarHBondContact O-N 3.29Å; E368-A372 WeakPolarHBondContact O-CB 3.41Å; E368-A372 PolarHBondContact O-N 3.49Å
369	Q	80.5	Confident	77.6	Confident	19 Å²	19	60.8 Å²	60.8	9%	0.089	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-43.2	168.8	-60	-171.4	-58.1	0	0	112.1	V358 L361 K362 G365 A366 A372 F373 L400	V358-Q369 HydrophobicContact CG1-CB 4.26Å; V358-Q369 HydrophobicContact CG1-CG 4.4Å; V358-Q369 PolarHBondContact O-NE2 3.29Å; L361-Q369 HydrophobicContact CB-CG 3.92Å; K362-Q369 VanDerWaalsContact CG-NE2 3.26Å; G365-Q369 PolarHBondContact O-N 3.41Å; A366-Q369 PolarHBondContact O-N 3.39Å; Q369-A372 PolarHBondContact O-N 2.96Å; Q369-F373 WeakPolarHBondContact O-CD2 3.48Å; Q369-F373 PolarHBondContact O-N 2.75Å; Q369-L400 HydrophobicContact CB-CD1 3.54Å
370	I	80.2	Confident	77.3	Confident	11 Å²	11	55.9 Å²	55.9	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-42.6	173.8	-71.2	164.5	0	0	0	110.3	A366 F373 M374 L397 L400 Y401 L874	A366-I370 WeakPolarHBondContact O-CB 3.33Å; A366-I370 VanDerWaalsContact O-CG1 3.28Å; A366-I370 WeakPolarHBondContact O-CG1 3.19Å; A366-I370 PolarHBondContact O-N 2.96Å; I370-F373 PolarHBondContact O-N 3.1Å; I370-M374 HydrophobicContact CG2-CE 4.06Å; I370-M374 HydrophobicContact CG2-SD 4.4Å; I370-M374 WeakPolarHBondContact O-CG 3.37Å; I370-M374 PolarHBondContact O-N 3.41Å; I370-L397 HydrophobicContact CB-CD1 4.39Å; I370-L397 HydrophobicContact CG1-CD1 4.03Å; I370-L397 HydrophobicContact CG2-CD1 4.27Å; I370-L400 HydrophobicContact CG1-CD1 4.34Å; I370-Y401 HydrophobicContact CD1-CD1 4.49Å; I370-Y401 HydrophobicContact CD1-CE1 4Å; I370-Y401 WeakPolarHBondContact CG2-OH 3.11Å; I370-L874 HydrophobicContact CD1-CD1 3.52Å
371	A	84	Confident	77.1	Confident	48 Å²	48	55.8 Å²	55.8	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-47.8	175.1	0	0	0	0	0	112.3	R367 E368 F373 M374 E375	R367-A371 PolarHBondContact O-N 3.09Å; E368-A371 WeakPolarHBondContact O-CB 3.34Å; E368-A371 PolarHBondContact O-N 3.29Å; A371-F373 PolarHBondContact O-N 3.31Å; A371-M374 PolarHBondContact O-N 2.96Å; A371-E375 WeakPolarHBondContact O-CB 3.45Å; A371-E375 PolarHBondContact O-N 3.14Å
372	A	79.8	Confident	76.7	Confident	2 Å²	2	56.7 Å²	56.7	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-32.8	177.8	0	0	0	0	0	113.3	W354 R357 V358 L361 E368 Q369 G376	W354-A372 WeakPolarHBondContact CZ3-O 3.41Å; R357-A372 HydrophobicContact CG-CB 4.03Å; V358-A372 HydrophobicContact CG2-CB 4.29Å; L361-A372 HydrophobicContact CD1-CB 3.44Å; L361-A372 VanDerWaalsContact CD1-CB 3.44Å; E368-A372 WeakPolarHBondContact O-CB 3.41Å; E368-A372 PolarHBondContact O-N 3.49Å; Q369-A372 PolarHBondContact O-N 2.96Å; A372-G376 PolarHBondContact O-N 3.16Å
373	F	79.5	Confident	76.6	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-42.6	170.1	-88.5	-54.5	0	0	0	112.1	L355 V358 Q369 I370 A371 G376 I377 L393 G396 L397 L400	L355-F373 HydrophobicContact CD2-CE1 4.17Å; V358-F373 HydrophobicContact CB-CE2 4.24Å; V358-F373 HydrophobicContact CB-CZ 4.18Å; V358-F373 HydrophobicContact CG1-CD2 4.27Å; V358-F373 HydrophobicContact CG1-CE2 3.54Å; V358-F373 HydrophobicContact CG1-CZ 3.73Å; V358-F373 HydrophobicContact CG2-CD1 3.99Å; V358-F373 HydrophobicContact CG2-CD2 3.8Å; V358-F373 HydrophobicContact CG2-CE1 3.92Å; V358-F373 HydrophobicContact CG2-CE2 3.76Å; V358-F373 HydrophobicContact CG2-CG 3.92Å; V358-F373 HydrophobicContact CG2-CZ 3.81Å; Q369-F373 WeakPolarHBondContact O-CD2 3.48Å; Q369-F373 PolarHBondContact O-N 2.75Å; I370-F373 PolarHBondContact O-N 3.1Å; A371-F373 PolarHBondContact O-N 3.31Å; F373-G376 PolarHBondContact O-N 3.24Å; F373-I377 VanDerWaalsContact O-CB 3.29Å; F373-I377 WeakPolarHBondContact O-CB 3.36Å; F373-I377 WeakPolarHBondContact O-CD1 3.35Å; F373-I377 WeakPolarHBondContact O-CG1 3.11Å; F373-I377 PolarHBondContact O-N 2.93Å; F373-L393 HydrophobicContact CD1-CB 4.32Å; F373-L393 HydrophobicContact CD1-CD2 4.22Å; F373-L393 WeakPolarHBondContact CD1-O 3.3Å; F373-L393 HydrophobicContact CE1-CB 4.49Å; F373-L393 HydrophobicContact CE1-CD2 4.1Å; F373-L393 WeakPolarHBondContact CE1-O 3.3Å; F373-G396 VanDerWaalsContact CZ-C 3.43Å; F373-L397 HydrophobicContact CB-CB 4.11Å; F373-L397 HydrophobicContact CB-CD1 3.84Å; F373-L397 HydrophobicContact CB-CD2 4.27Å; F373-L397 HydrophobicContact CB-CG 4.29Å; F373-L397 HydrophobicContact CD1-CB 4.36Å; F373-L397 HydrophobicContact CD2-CB 4.05Å; F373-L397 HydrophobicContact CD2-CD1 4.03Å; F373-L397 HydrophobicContact CG-CB 3.95Å; F373-L397 HydrophobicContact CG-CD1 4.23Å; F373-L400 HydrophobicContact CD2-CD1 3.8Å; F373-L400 HydrophobicContact CE2-CD1 3.61Å; F373-L400 HydrophobicContact CE2-CG 4.05Å
374	M	81.8	Confident	76.6	Confident	76 Å²	76	54.3 Å²	54.3	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-44.4	175.5	-70.2	-173.1	-57.9	0	0	111.4	I370 A371 I377 T378	I370-M374 HydrophobicContact CG2-CE 4.06Å; I370-M374 HydrophobicContact CG2-SD 4.4Å; I370-M374 WeakPolarHBondContact O-CG 3.37Å; I370-M374 PolarHBondContact O-N 3.41Å; A371-M374 PolarHBondContact O-N 2.96Å; M374-I377 PolarHBondContact O-N 3.46Å; M374-T378 WeakPolarHBondContact O-CG2 2.99Å; M374-T378 PolarHBondContact O-N 3.41Å; M374-T378 PolarHBondContact O-OG1 3.19Å
375	E	82.4	Confident	76.4	Confident	83 Å²	83	52.2 Å²	52.2	39%	0.388	29%	0.286	S	S	.	.	H	α-helix	trans	-54.5	-54.1	174.5	-164.4	-172	-176.6	0	0	110.5	W354 R357 A371 I377 T378 S379	W354-E375 HydrophobicContact CH2-CB 3.97Å; W354-E375 VanDerWaalsContact CH2-CD 3.45Å; W354-E375 HydrophobicContact CH2-CG 3.52Å; W354-E375 HydrophobicContact CZ3-CB 3.82Å; W354-E375 HydrophobicContact CZ3-CG 3.84Å; W354-E375 WeakPolarHBondContact CZ3-OE2 3.34Å; R357-E375 IonicContact CZ-OE2 3.16Å; R357-E375 IonicContact NE-OE2 2.87Å; R357-E375 PolarHBondContact NE-OE2 3.33Å; R357-E375 VanDerWaalsContact NE-OE2 3.16Å; R357-E375 IonicContact NH2-OE1 2.73Å; R357-E375 IonicContact NH2-OE2 3.25Å; R357-E375 PolarHBondContact NH2-OE2 3.28Å; A371-E375 WeakPolarHBondContact O-CB 3.45Å; A371-E375 PolarHBondContact O-N 3.14Å; E375-I377 PolarHBondContact O-N 3.37Å; E375-T378 PolarHBondContact O-N 3.02Å; E375-T378 VanDerWaalsContact O-N 3.08Å; E375-T378 PolarHBondContact O-OG1 2.81Å; E375-S379 PolarHBondContact O-N 3.22Å
376	G	80.7	Confident	75.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-34	177.7	0	0	0	0	0	114.5	W354 A372 F373 T378 S379 V380	W354-G376 VanDerWaalsContact CE2-CA 3.45Å; A372-G376 PolarHBondContact O-N 3.16Å; F373-G376 PolarHBondContact O-N 3.24Å; G376-T378 VanDerWaalsContact C-N 3.29Å; G376-T378 PolarHBondContact O-N 2.88Å; G376-S379 PolarHBondContact O-N 3.18Å; G376-V380 VanDerWaalsContact O-CB 3.26Å; G376-V380 WeakPolarHBondContact O-CB 3.09Å; G376-V380 WeakPolarHBondContact O-CG2 3.25Å; G376-V380 PolarHBondContact O-N 2.73Å
377	I	80	Confident	74.8	Confident	39 Å²	39	58 Å²	58	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-35	172.3	-78.2	165.1	0	0	0	111.1	F373 M374 E375 L393 W394 L397	F373-I377 VanDerWaalsContact O-CB 3.29Å; F373-I377 WeakPolarHBondContact O-CB 3.36Å; F373-I377 WeakPolarHBondContact O-CD1 3.35Å; F373-I377 WeakPolarHBondContact O-CG1 3.11Å; F373-I377 PolarHBondContact O-N 2.93Å; M374-I377 PolarHBondContact O-N 3.46Å; E375-I377 PolarHBondContact O-N 3.37Å; I377-L393 HydrophobicContact CG1-CB 4.35Å; I377-W394 HydrophobicContact CB-CZ2 4.4Å; I377-W394 HydrophobicContact CD1-CD2 3.9Å; I377-W394 HydrophobicContact CD1-CE3 3.82Å; I377-W394 HydrophobicContact CD1-CH2 4.2Å; I377-W394 HydrophobicContact CD1-CZ2 4.23Å; I377-W394 HydrophobicContact CD1-CZ3 3.99Å; I377-W394 HydrophobicContact CG1-CD2 4.28Å; I377-W394 HydrophobicContact CG1-CZ2 4.17Å; I377-W394 HydrophobicContact CG2-CH2 3.6Å; I377-W394 HydrophobicContact CG2-CZ2 3.37Å; I377-W394 HydrophobicContact CG2-CZ3 4.43Å; I377-L397 HydrophobicContact CD1-CD2 3.64Å
378	T	81.4	Confident	74	Confident	122 Å²	122	49.5 Å²	49.5	75%	0.748	30%	0.299	S	S	*	.	H	α-helix	trans	-79.4	-24.3	175.8	57	0	0	0	0	114.3	M374 E375 G376	M374-T378 WeakPolarHBondContact O-CG2 2.99Å; M374-T378 PolarHBondContact O-N 3.41Å; M374-T378 PolarHBondContact O-OG1 3.19Å; E375-T378 PolarHBondContact O-N 3.02Å; E375-T378 VanDerWaalsContact O-N 3.08Å; E375-T378 PolarHBondContact O-OG1 2.81Å; G376-T378 VanDerWaalsContact C-N 3.29Å; G376-T378 PolarHBondContact O-N 2.88Å
379	S	78.7	Confident	73.5	Confident	32 Å²	32	52 Å²	52	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-96.2	-22.2	-178.2	80.2	0	0	0	0	114.9	P348 H349 W354 E375 G376 D381	P348-S379 PolarHBondContact O-OG 3.16Å; H349-S379 PolarHBondContact CE1-O 2.95Å; H349-S379 PolarHBondContact ND1-O 3.14Å; W354-S379 WeakPolarHBondContact CZ2-OG 3.43Å; W354-S379 PolarHBondContact NE1-OG 2.9Å; E375-S379 PolarHBondContact O-N 3.22Å; G376-S379 PolarHBondContact O-N 3.18Å; S379-D381 PolarHBondContact O-N 2.97Å
380	V	76.1	Confident	73.2	Confident	12 Å²	12	51.5 Å²	51.5	7%	0.073	30%	0.303	C	S	.	.			trans	-90.3	97.4	-176.2	177.6	0	0	0	0	110.4	P348 V351 G376 P382 L393	P348-V380 WeakPolarHBondContact O-CG2 3.49Å; V351-V380 HydrophobicContact CG2-CG1 3.87Å; G376-V380 VanDerWaalsContact O-CB 3.26Å; G376-V380 WeakPolarHBondContact O-CB 3.09Å; G376-V380 WeakPolarHBondContact O-CG2 3.25Å; G376-V380 PolarHBondContact O-N 2.73Å; V380-P382 VanDerWaalsContact O-CD 3.24Å; V380-P382 WeakPolarHBondContact O-CD 3.33Å; V380-L393 HydrophobicContact CB-CD1 4.4Å; V380-L393 HydrophobicContact CG2-CD1 4Å
381	D	70.8	Confident	72.8	Confident	66 Å²	66	51.2 Å²	51.2	35%	0.353	30%	0.302	S	S	.	.			trans	-57.6	118.1	164.6	-87.3	-36.7	0	0	0	110.1	H349 S379 A383 K384 S385	H349-D381 IonicContact CE1-OD2 3.14Å; H349-D381 IonicContact NE2-OD2 3.99Å; S379-D381 PolarHBondContact O-N 2.97Å; D381-A383 PolarHBondContact O-N 3.05Å; D381-K384 HydrophobicContact CB-CB 4.05Å; D381-K384 HydrophobicContact CB-CD 3.97Å; D381-K384 HydrophobicContact CB-CG 4.06Å; D381-K384 PolarHBondContact O-N 2.91Å; D381-K384 WeakPolarHBondContact OD2-CD 3.38Å; D381-K384 VanDerWaalsContact OD2-CE 3.23Å; D381-K384 WeakPolarHBondContact OD2-CE 3.39Å; D381-K384 IonicContact OD2-NZ 3.91Å; D381-K384 PolarHBondContact OD2-NZ 3.35Å; D381-S385 PolarHBondContact O-N 3.5Å
382	P	68.8	Low	72.7	Confident	31 Å²	31	50.4 Å²	50.4	20%	0.201	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-5.6	176.8	-20	32.3	0	0	0	114.4	V380 V420 F422	V380-P382 VanDerWaalsContact O-CD 3.24Å; V380-P382 WeakPolarHBondContact O-CD 3.33Å; P382-V420 HydrophobicContact CB-CG1 4.31Å; P382-V420 HydrophobicContact CG-CG1 3.49Å; P382-V420 VanDerWaalsContact CG-CG1 3.49Å; P382-F422 HydrophobicContact CB-CD1 4.01Å
383	A	69	Low	72.7	Confident	60 Å²	60	50.5 Å²	50.5	50%	0.496	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-17.6	176.4	0	0	0	0	0	113.9	D381 M423	D381-A383 PolarHBondContact O-N 3.05Å; A383-M423 HydrophobicContact CB-CE 3.8Å
384	K	67.6	Low	73	Confident	115 Å²	115	51.6 Å²	51.6	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-3.8	-176.3	-57.8	172.2	-171.4	156.7	0	112.9	H349 D381 T386	H349-K384 HydrophobicContact CB-CB 4.4Å; H349-K384 VanDerWaalsContact NE2-CD 3.27Å; H349-K384 WeakPolarHBondContact NE2-CD 3.38Å; D381-K384 HydrophobicContact CB-CB 4.05Å; D381-K384 HydrophobicContact CB-CD 3.97Å; D381-K384 HydrophobicContact CB-CG 4.06Å; D381-K384 PolarHBondContact O-N 2.91Å; D381-K384 WeakPolarHBondContact OD2-CD 3.38Å; D381-K384 VanDerWaalsContact OD2-CE 3.23Å; D381-K384 WeakPolarHBondContact OD2-CE 3.39Å; D381-K384 IonicContact OD2-NZ 3.91Å; D381-K384 PolarHBondContact OD2-NZ 3.35Å; K384-T386 PolarHBondContact O-N 2.97Å; K384-T386 VanDerWaalsContact O-N 3.12Å; K384-T386 PolarHBondContact O-OG1 3.24Å
385	S	60.2	Low	73	Confident	33 Å²	33	48.7 Å²	48.7	23%	0.231	28%	0.284	C	S	.	.			trans	-51.5	116.3	-177.6	55.4	0	0	0	0	111.7	H349 D381 P390	H349-S385 WeakPolarHBondContact O-CA 3.48Å; D381-S385 PolarHBondContact O-N 3.5Å; S385-P390 VanDerWaalsContact CB-CG 3.44Å; S385-P390 VanDerWaalsContact OG-CG 3.24Å; S385-P390 WeakPolarHBondContact OG-CG 3.21Å
386	T	56.8	Low	72.9	Confident	95 Å²	95	45.6 Å²	45.6	58%	0.583	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-113.9	147.5	-178	-60.9	0	0	0	0	109	H349 N350 K384 G388	H349-T386 PolarHBondContact O-N 3.01Å; N350-T386 PolarHBondContact OD1-O 3.1Å; K384-T386 PolarHBondContact O-N 2.97Å; K384-T386 VanDerWaalsContact O-N 3.12Å; K384-T386 PolarHBondContact O-OG1 3.24Å; T386-G388 VanDerWaalsContact C-N 3.31Å; T386-G388 PolarHBondContact O-N 3.26Å
387	A	57.7	Low	73	Confident	72 Å²	72	45.8 Å²	45.8	60%	0.595	28%	0.275	S	S	*	.	S	Bend	trans	54.9	34.1	176.8	0	0	0	0	0	116.2	A352	A352-A387 VanDerWaalsContact CB-O 3.31Å; A352-A387 WeakPolarHBondContact CB-O 3.37Å
388	G	61.2	Low	72.9	Confident	32 Å²	32	44 Å²	44	33%	0.33	27%	0.267	S	S	.	.	S	Bend	trans	173.8	156.6	164.6	0	0	0	0	0	113	T386 P390	T386-G388 VanDerWaalsContact C-N 3.31Å; T386-G388 PolarHBondContact O-N 3.26Å; G388-P390 WeakPolarHBondContact O-CD 3.43Å
389	R	65.4	Low	73	Confident	138 Å²	138	43.4 Å²	43.4	52%	0.521	25%	0.251	S	S	.	.			trans	-74.1	118.7	174.7	-91.3	-169.7	-176	137	-2.6	109.8	S391 S392 E426 D427	R389-S391 PolarHBondContact O-N 2.95Å; R389-S391 VanDerWaalsContact O-N 3.1Å; R389-S392 WeakPolarHBondContact O-CB 3.16Å; R389-S392 PolarHBondContact O-N 3.22Å; R389-S392 PolarHBondContact O-OG 3.38Å; R389-E426 IonicContact CZ-OE2 2.8Å; R389-E426 IonicContact NE-OE2 2.66Å; R389-E426 IonicContact NH2-OE2 2.69Å; R389-E426 PolarHBondContact NH2-OE2 2.67Å; R389-D427 VanDerWaalsContact CB-OD1 3.23Å; R389-D427 WeakPolarHBondContact CB-OD1 3.45Å; R389-D427 WeakPolarHBondContact CG-OD1 3.43Å
390	P	74.6	Confident	73	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.058	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29	179.7	-29.8	38.3	0	0	0	114.1	V351 S385 G388 S392 L393 F422	V351-P390 HydrophobicContact CG2-CG 4.48Å; S385-P390 VanDerWaalsContact CB-CG 3.44Å; S385-P390 VanDerWaalsContact OG-CG 3.24Å; S385-P390 WeakPolarHBondContact OG-CG 3.21Å; G388-P390 WeakPolarHBondContact O-CD 3.43Å; P390-S392 PolarHBondContact O-N 3.4Å; P390-L393 PolarHBondContact O-N 3.23Å; P390-F422 HydrophobicContact CB-CD1 3.93Å; P390-F422 HydrophobicContact CB-CE1 3.8Å
391	S	71.9	Confident	73.3	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-54.8	-29.9	172.4	53.1	0	0	0	0	113.6	R389 L393 W394 T395 D427	R389-S391 PolarHBondContact O-N 2.95Å; R389-S391 VanDerWaalsContact O-N 3.1Å; S391-L393 VanDerWaalsContact C-N 3.28Å; S391-L393 PolarHBondContact O-N 2.92Å; S391-W394 PolarHBondContact O-N 3.47Å; S391-T395 WeakPolarHBondContact O-CG2 3.34Å; S391-T395 PolarHBondContact O-N 3.13Å; S391-T395 PolarHBondContact O-OG1 3.34Å; S391-D427 VanDerWaalsContact CB-O 3.31Å; S391-D427 WeakPolarHBondContact CB-O 3.29Å; S391-D427 VanDerWaalsContact CB-OD1 3.25Å; S391-D427 WeakPolarHBondContact CB-OD1 3.29Å; S391-D427 PolarHBondContact N-OD1 3.33Å; S391-D427 VanDerWaalsContact N-OD1 3.12Å; S391-D427 PolarHBondContact OG-OD1 3.48Å
392	S	81.7	Confident	73.9	Confident	31 Å²	31	40.9 Å²	40.9	22%	0.217	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-23.2	179.7	64.6	0	0	0	0	114.7	V351 R389 P390 G396	V351-S392 VanDerWaalsContact CG1-OG 3.32Å; V351-S392 WeakPolarHBondContact CG1-OG 3.16Å; R389-S392 WeakPolarHBondContact O-CB 3.16Å; R389-S392 PolarHBondContact O-N 3.22Å; R389-S392 PolarHBondContact O-OG 3.38Å; P390-S392 PolarHBondContact O-N 3.4Å; S392-G396 PolarHBondContact O-N 2.94Å
393	L	80	Confident	74.6	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-72.8	-43.9	171.3	-61.1	179.6	0	0	0	110.8	V351 W354 L355 F373 I377 V380 P390 S391 G396 L397	V351-L393 HydrophobicContact CG1-CD1 4.47Å; V351-L393 HydrophobicContact CG1-CD2 4.14Å; V351-L393 HydrophobicContact CG1-CG 4.01Å; V351-L393 HydrophobicContact CG2-CD1 4.26Å; W354-L393 HydrophobicContact CB-CD1 4.5Å; W354-L393 HydrophobicContact CB-CD2 3.8Å; L355-L393 HydrophobicContact CD2-CD2 3.99Å; L355-L393 HydrophobicContact CG-CD2 4.1Å; F373-L393 HydrophobicContact CD1-CB 4.32Å; F373-L393 HydrophobicContact CD1-CD2 4.22Å; F373-L393 WeakPolarHBondContact CD1-O 3.3Å; F373-L393 HydrophobicContact CE1-CB 4.49Å; F373-L393 HydrophobicContact CE1-CD2 4.1Å; F373-L393 WeakPolarHBondContact CE1-O 3.3Å; I377-L393 HydrophobicContact CG1-CB 4.35Å; V380-L393 HydrophobicContact CB-CD1 4.4Å; V380-L393 HydrophobicContact CG2-CD1 4Å; P390-L393 PolarHBondContact O-N 3.23Å; S391-L393 VanDerWaalsContact C-N 3.28Å; S391-L393 PolarHBondContact O-N 2.92Å; L393-G396 PolarHBondContact O-N 3.1Å; L393-L397 WeakPolarHBondContact O-CB 3.18Å; L393-L397 PolarHBondContact O-N 3.42Å
394	W	85.2	Confident	75.1	Confident	30 Å²	30	47.5 Å²	47.5	11%	0.114	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-42	178.1	-68.6	100.6	0	0	0	112.6	I377 S391 S398 V413 K416 A417 V420 F422 I431	I377-W394 HydrophobicContact CB-CZ2 4.4Å; I377-W394 HydrophobicContact CD1-CD2 3.9Å; I377-W394 HydrophobicContact CD1-CE3 3.82Å; I377-W394 HydrophobicContact CD1-CH2 4.2Å; I377-W394 HydrophobicContact CD1-CZ2 4.23Å; I377-W394 HydrophobicContact CD1-CZ3 3.99Å; I377-W394 HydrophobicContact CG1-CD2 4.28Å; I377-W394 HydrophobicContact CG1-CZ2 4.17Å; I377-W394 HydrophobicContact CG2-CH2 3.6Å; I377-W394 HydrophobicContact CG2-CZ2 3.37Å; I377-W394 HydrophobicContact CG2-CZ3 4.43Å; S391-W394 PolarHBondContact O-N 3.47Å; W394-S398 WeakPolarHBondContact O-CB 3.4Å; W394-S398 PolarHBondContact O-N 2.91Å; W394-V413 HydrophobicContact CE3-CG1 3.79Å; W394-V413 HydrophobicContact CZ3-CG1 4.12Å; W394-V413 WeakPolarHBondContact CZ3-O 3.37Å; W394-K416 HydrophobicContact CH2-CB 4.34Å; W394-K416 HydrophobicContact CZ3-CB 4.25Å; W394-A417 HydrophobicContact CB-CB 3.96Å; W394-A417 HydrophobicContact CD2-CB 3.41Å; W394-A417 VanDerWaalsContact CD2-CB 3.41Å; W394-A417 HydrophobicContact CE3-CB 3.43Å; W394-A417 VanDerWaalsContact CE3-CB 3.43Å; W394-A417 HydrophobicContact CG-CB 3.67Å; W394-A417 HydrophobicContact CZ3-CB 4.02Å; W394-V420 HydrophobicContact CZ2-CG2 3.74Å; W394-F422 AromaticContact CD1-CZ 3.96Å; W394-F422 AromaticContact NE1-CZ 3.98Å; W394-I431 HydrophobicContact CB-CD1 4.35Å; W394-I431 HydrophobicContact CB-CG1 4.2Å; W394-I431 HydrophobicContact CG-CD1 4.46Å
395	T	82.3	Confident	75.5	Confident	15 Å²	15	48.3 Å²	48.3	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-73.8	-33.6	176.3	65.2	0	0	0	0	111.6	S391 S398 R399 E434	S391-T395 WeakPolarHBondContact O-CG2 3.34Å; S391-T395 PolarHBondContact O-N 3.13Å; S391-T395 PolarHBondContact O-OG1 3.34Å; T395-S398 PolarHBondContact O-N 3.36Å; T395-R399 VanDerWaalsContact O-CB 3.28Å; T395-R399 WeakPolarHBondContact O-CB 3.5Å; T395-R399 WeakPolarHBondContact O-CD 3.26Å; T395-R399 WeakPolarHBondContact O-CG 3.13Å; T395-R399 PolarHBondContact O-N 3.48Å; T395-E434 HydrophobicContact CG2-CB 3.78Å; T395-E434 HydrophobicContact CG2-CG 3.62Å
396	G	80.6	Confident	76.5	Confident	17 Å²	17	48.1 Å²	48.1	18%	0.175	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-49	169.8	0	0	0	0	0	112.6	F373 S392 L393 R399 L400	F373-G396 VanDerWaalsContact CZ-C 3.43Å; S392-G396 PolarHBondContact O-N 2.94Å; L393-G396 PolarHBondContact O-N 3.1Å; G396-R399 PolarHBondContact O-N 2.93Å; G396-L400 PolarHBondContact O-N 3.23Å; G396-L400 VanDerWaalsContact O-N 3.14Å
397	L	82.1	Confident	77.7	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-44.8	176.1	-178	57.3	0	0	0	112.1	I370 F373 I377 L393 R399 L400 Y401 V413	I370-L397 HydrophobicContact CB-CD1 4.39Å; I370-L397 HydrophobicContact CG1-CD1 4.03Å; I370-L397 HydrophobicContact CG2-CD1 4.27Å; F373-L397 HydrophobicContact CB-CB 4.11Å; F373-L397 HydrophobicContact CB-CD1 3.84Å; F373-L397 HydrophobicContact CB-CD2 4.27Å; F373-L397 HydrophobicContact CB-CG 4.29Å; F373-L397 HydrophobicContact CD1-CB 4.36Å; F373-L397 HydrophobicContact CD2-CB 4.05Å; F373-L397 HydrophobicContact CD2-CD1 4.03Å; F373-L397 HydrophobicContact CG-CB 3.95Å; F373-L397 HydrophobicContact CG-CD1 4.23Å; I377-L397 HydrophobicContact CD1-CD2 3.64Å; L393-L397 WeakPolarHBondContact O-CB 3.18Å; L393-L397 PolarHBondContact O-N 3.42Å; L397-R399 VanDerWaalsContact C-N 3.33Å; L397-R399 PolarHBondContact O-N 2.9Å; L397-L400 PolarHBondContact O-N 2.96Å; L397-L400 VanDerWaalsContact O-N 3.09Å; L397-Y401 HydrophobicContact CD1-CD2 3.94Å; L397-Y401 HydrophobicContact CD1-CE2 3.48Å; L397-Y401 VanDerWaalsContact CD1-CE2 3.48Å; L397-Y401 HydrophobicContact CD2-CE2 4.3Å; L397-Y401 HydrophobicContact CG-CD2 4.02Å; L397-Y401 HydrophobicContact CG-CE2 3.74Å; L397-Y401 WeakPolarHBondContact O-CD2 3.39Å; L397-Y401 PolarHBondContact O-N 3.37Å; L397-Y401 VanDerWaalsContact O-N 3.12Å; L397-V413 HydrophobicContact CB-CG1 4.41Å; L397-V413 HydrophobicContact CD2-CG1 3.82Å; L397-V413 HydrophobicContact CD2-CG2 4.11Å; L397-V413 HydrophobicContact CG-CG1 4.02Å; L397-V413 HydrophobicContact CG-CG2 4.44Å
398	S	78.1	Confident	78.9	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-57.9	-45.1	175.1	-174.3	0	0	0	0	111.9	W394 T395 L400 Y401 E402 L414	W394-S398 WeakPolarHBondContact O-CB 3.4Å; W394-S398 PolarHBondContact O-N 2.91Å; T395-S398 PolarHBondContact O-N 3.36Å; S398-L400 PolarHBondContact O-N 3.49Å; S398-Y401 PolarHBondContact O-N 3.2Å; S398-E402 WeakPolarHBondContact O-CB 3.4Å; S398-E402 PolarHBondContact O-N 2.96Å; S398-L414 WeakPolarHBondContact OG-CD1 3.31Å
399	R	83.6	Confident	80	Confident	109 Å²	109	47.9 Å²	47.9	41%	0.411	23%	0.231	S	C	.	.	H	α-helix	trans	-69.7	-13.2	177.9	-71.6	167.5	175.1	-147.6	1.3	113.7	T395 G396 L397 K403 E434	T395-R399 VanDerWaalsContact O-CB 3.28Å; T395-R399 WeakPolarHBondContact O-CB 3.5Å; T395-R399 WeakPolarHBondContact O-CD 3.26Å; T395-R399 WeakPolarHBondContact O-CG 3.13Å; T395-R399 PolarHBondContact O-N 3.48Å; G396-R399 PolarHBondContact O-N 2.93Å; L397-R399 VanDerWaalsContact C-N 3.33Å; L397-R399 PolarHBondContact O-N 2.9Å; R399-K403 WeakPolarHBondContact O-CD 3.43Å; R399-K403 VanDerWaalsContact O-CG 3.28Å; R399-K403 WeakPolarHBondContact O-CG 3.45Å; R399-E434 IonicContact CZ-OE1 2.87Å; R399-E434 IonicContact CZ-OE2 2.71Å; R399-E434 VanDerWaalsContact CZ-OE2 3.24Å; R399-E434 IonicContact NE-OE1 3.04Å; R399-E434 IonicContact NE-OE2 2.66Å; R399-E434 PolarHBondContact NE-OE2 3.45Å; R399-E434 IonicContact NH2-OE1 2.7Å; R399-E434 PolarHBondContact NH2-OE1 2.87Å; R399-E434 IonicContact NH2-OE2 3.27Å; R399-E434 PolarHBondContact NH2-OE2 3.5Å
400	L	79.6	Confident	80.8	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-81.2	-49.6	165.4	-68.9	-169.9	0	0	0	111.1	Q369 I370 F373 G396 L397 S398 E402 K403 H404	Q369-L400 HydrophobicContact CB-CD1 3.54Å; I370-L400 HydrophobicContact CG1-CD1 4.34Å; F373-L400 HydrophobicContact CD2-CD1 3.8Å; F373-L400 HydrophobicContact CE2-CD1 3.61Å; F373-L400 HydrophobicContact CE2-CG 4.05Å; G396-L400 PolarHBondContact O-N 3.23Å; G396-L400 VanDerWaalsContact O-N 3.14Å; L397-L400 PolarHBondContact O-N 2.96Å; L397-L400 VanDerWaalsContact O-N 3.09Å; S398-L400 PolarHBondContact O-N 3.49Å; L400-E402 PolarHBondContact O-N 3.47Å; L400-K403 HydrophobicContact CD2-CD 4.49Å; L400-K403 WeakPolarHBondContact O-CB 3.47Å; L400-K403 PolarHBondContact O-N 2.96Å; L400-H404 PolarHBondContact O-CD2 3.36Å; L400-H404 PolarHBondContact O-N 3.49Å; L400-H404 VanDerWaalsContact O-N 3.15Å
401	Y	82.7	Confident	81.3	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.027	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-35.8	176.9	-75	-67	0	0	0	112.5	I370 L397 S398 H404 N405 Q406 D409 V413	I370-Y401 HydrophobicContact CD1-CD1 4.49Å; I370-Y401 HydrophobicContact CD1-CE1 4Å; I370-Y401 WeakPolarHBondContact CG2-OH 3.11Å; L397-Y401 HydrophobicContact CD1-CD2 3.94Å; L397-Y401 HydrophobicContact CD1-CE2 3.48Å; L397-Y401 VanDerWaalsContact CD1-CE2 3.48Å; L397-Y401 HydrophobicContact CD2-CE2 4.3Å; L397-Y401 HydrophobicContact CG-CD2 4.02Å; L397-Y401 HydrophobicContact CG-CE2 3.74Å; L397-Y401 WeakPolarHBondContact O-CD2 3.39Å; L397-Y401 PolarHBondContact O-N 3.37Å; L397-Y401 VanDerWaalsContact O-N 3.12Å; S398-Y401 PolarHBondContact O-N 3.2Å; Y401-H404 CarbonylContact O-C 3.59Å; Y401-H404 PolarHBondContact O-N 2.91Å; Y401-N405 PolarHBondContact O-N 3.47Å; Y401-Q406 HydrophobicContact CD1-CB 3.87Å; Y401-Q406 PolarHBondContact O-N 2.82Å; Y401-D409 HydrophobicContact CD1-CB 3.87Å; Y401-D409 HydrophobicContact CE1-CB 3.95Å; Y401-D409 HydrophobicContact CG-CB 4.31Å; Y401-V413 HydrophobicContact CD2-CG2 4.06Å; Y401-V413 HydrophobicContact CE2-CG2 3.73Å
402	E	82.1	Confident	82	Confident	34 Å²	34	45.9 Å²	45.9	16%	0.159	23%	0.228	C	C	.	.	H	α-helix	trans	-55.5	-48.5	169.9	-172.2	-179.2	167.1	0	0	111.9	S398 L400 H404 N405 M438 R441	S398-E402 WeakPolarHBondContact O-CB 3.4Å; S398-E402 PolarHBondContact O-N 2.96Å; L400-E402 PolarHBondContact O-N 3.47Å; E402-H404 PolarHBondContact O-N 3.27Å; E402-N405 PolarHBondContact O-N 2.68Å; E402-N405 VanDerWaalsContact O-N 3.08Å; E402-M438 HydrophobicContact CG-CG 4.49Å; E402-R441 WeakPolarHBondContact OE1-CD 3.34Å; E402-R441 IonicContact OE1-CZ 3.66Å; E402-R441 IonicContact OE1-NE 3.53Å; E402-R441 IonicContact OE1-NH1 2.73Å; E402-R441 PolarHBondContact OE1-NH1 3.44Å; E402-R441 IonicContact OE2-NH1 2.76Å; E402-R441 PolarHBondContact OE2-NH1 2.8Å
403	K	83.5	Confident	82.1	Confident	155 Å²	155	44.7 Å²	44.7	67%	0.674	22%	0.219	S	C	*	.	H	α-helix	trans	-65.7	-21.2	176.7	-73.3	171.8	-178.1	-178.5	0	114.4	R399 L400	R399-K403 WeakPolarHBondContact O-CD 3.43Å; R399-K403 VanDerWaalsContact O-CG 3.28Å; R399-K403 WeakPolarHBondContact O-CG 3.45Å; L400-K403 HydrophobicContact CD2-CD 4.49Å; L400-K403 WeakPolarHBondContact O-CB 3.47Å; L400-K403 PolarHBondContact O-N 2.96Å
404	H	79.8	Confident	82.3	Confident	74 Å²	74	44.5 Å²	44.5	34%	0.343	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	13.8	175.6	-64.1	-61.6	0	0	0	112.8	A366 L400 Y401 E402 Q406	A366-H404 WeakPolarHBondContact CB-NE2 3.49Å; L400-H404 PolarHBondContact O-CD2 3.36Å; L400-H404 PolarHBondContact O-N 3.49Å; L400-H404 VanDerWaalsContact O-N 3.15Å; Y401-H404 CarbonylContact O-C 3.59Å; Y401-H404 PolarHBondContact O-N 2.91Å; E402-H404 PolarHBondContact O-N 3.27Å; H404-Q406 PolarHBondContact O-N 2.97Å
405	N	76.4	Confident	82.3	Confident	133 Å²	133	47.9 Å²	47.9	71%	0.711	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	15.3	-178.2	-59.3	-43.2	0	0	0	114.6	Y401 E402 L407	Y401-N405 PolarHBondContact O-N 3.47Å; E402-N405 PolarHBondContact O-N 2.68Å; E402-N405 VanDerWaalsContact O-N 3.08Å; N405-L407 PolarHBondContact O-N 3.38Å
406	Q	81.8	Confident	82.4	Confident	29 Å²	29	50.5 Å²	50.5	14%	0.136	25%	0.245	C	C	.	.			trans	-84.5	61	-179	-74.8	-169.3	-96.2	0	0	111.2	Y401 H404 N408 D409 A410 L874	Y401-Q406 HydrophobicContact CD1-CB 3.87Å; Y401-Q406 PolarHBondContact O-N 2.82Å; H404-Q406 PolarHBondContact O-N 2.97Å; Q406-N408 PolarHBondContact O-N 3.01Å; Q406-D409 HydrophobicContact CB-CB 4.19Å; Q406-D409 PolarHBondContact NE2-OD2 2.82Å; Q406-D409 PolarHBondContact O-N 2.82Å; Q406-D409 VanDerWaalsContact O-N 3.12Å; Q406-A410 PolarHBondContact O-N 3.37Å; Q406-L874 VanDerWaalsContact OE1-CG 3.27Å
407	L	81.6	Confident	82.5	Confident	36 Å²	36	49.7 Å²	49.7	19%	0.188	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-32.9	-172.2	-50	-169.6	0	0	0	112.8	N405 R411 H442	N405-L407 PolarHBondContact O-N 3.38Å; L407-R411 WeakPolarHBondContact O-CB 3.31Å; L407-R411 WeakPolarHBondContact O-CD 3.2Å; L407-R411 WeakPolarHBondContact O-CG 3.42Å; L407-R411 PolarHBondContact O-N 3.41Å; L407-H442 HydrophobicContact CD1-CB 4.14Å; L407-H442 WeakPolarHBondContact CD2-NE2 3.41Å
408	N	83.1	Confident	82.3	Confident	115 Å²	115	50.7 Å²	50.7	62%	0.615	24%	0.243	S	C	*	.	H	α-helix	trans	-69.5	-39.5	177.6	-64.9	-24.6	0	0	0	111.9	Q406 R411 V412	Q406-N408 PolarHBondContact O-N 3.01Å; N408-R411 PolarHBondContact O-N 3.17Å; N408-R411 PolarHBondContact OD1-NH1 2.74Å; N408-V412 WeakPolarHBondContact O-CG2 3.17Å; N408-V412 PolarHBondContact O-N 3.49Å
409	D	83.3	Confident	82.3	Confident	43 Å²	43	53 Å²	53	23%	0.23	27%	0.267	C	S	.	.	H	α-helix	trans	-71.2	-38.7	175.3	-59.1	-68.4	0	0	0	111	Y401 Q406 R411 V412 V413	Y401-D409 HydrophobicContact CD1-CB 3.87Å; Y401-D409 HydrophobicContact CE1-CB 3.95Å; Y401-D409 HydrophobicContact CG-CB 4.31Å; Q406-D409 HydrophobicContact CB-CB 4.19Å; Q406-D409 PolarHBondContact NE2-OD2 2.82Å; Q406-D409 PolarHBondContact O-N 2.82Å; Q406-D409 VanDerWaalsContact O-N 3.12Å; D409-R411 PolarHBondContact O-N 3.24Å; D409-V412 PolarHBondContact O-N 2.87Å; D409-V413 WeakPolarHBondContact O-CB 3.45Å; D409-V413 VanDerWaalsContact O-CG2 3.3Å; D409-V413 WeakPolarHBondContact O-CG2 3.44Å; D409-V413 PolarHBondContact O-N 3.15Å
410	A	82.7	Confident	82	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-47.1	171.6	0	0	0	0	0	112	Q406 V413 L414 M438	Q406-A410 PolarHBondContact O-N 3.37Å; A410-V413 PolarHBondContact O-N 3.37Å; A410-L414 WeakPolarHBondContact O-CB 3.37Å; A410-L414 VanDerWaalsContact O-CG 3.31Å; A410-L414 WeakPolarHBondContact O-CG 3.42Å; A410-L414 PolarHBondContact O-N 3.47Å; A410-M438 HydrophobicContact CB-CE 4.27Å
411	R	84.8	Confident	81.7	Confident	53 Å²	53	52.4 Å²	52.4	20%	0.2	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-47.2	174	-74.9	163.1	174	162.6	-5.3	111.8	L407 N408 D409 V413 L414 E415 M438 E439	L407-R411 WeakPolarHBondContact O-CB 3.31Å; L407-R411 WeakPolarHBondContact O-CD 3.2Å; L407-R411 WeakPolarHBondContact O-CG 3.42Å; L407-R411 PolarHBondContact O-N 3.41Å; N408-R411 PolarHBondContact O-N 3.17Å; N408-R411 PolarHBondContact OD1-NH1 2.74Å; D409-R411 PolarHBondContact O-N 3.24Å; R411-V413 VanDerWaalsContact C-N 3.33Å; R411-V413 PolarHBondContact O-N 3.36Å; R411-L414 PolarHBondContact O-N 2.71Å; R411-E415 WeakPolarHBondContact O-CB 3.45Å; R411-E415 WeakPolarHBondContact O-CG 3.28Å; R411-E415 PolarHBondContact O-N 2.84Å; R411-M438 HydrophobicContact CG-CE 3.9Å; R411-E439 WeakPolarHBondContact CG-OE1 3.31Å; R411-E439 IonicContact CZ-OE1 3.17Å; R411-E439 IonicContact CZ-OE2 3.46Å; R411-E439 IonicContact NE-OE1 2.67Å; R411-E439 PolarHBondContact NE-OE1 2.86Å; R411-E439 IonicContact NE-OE2 3.55Å; R411-E439 PolarHBondContact NE-OE2 3.21Å; R411-E439 IonicContact NH2-OE1 3.88Å; R411-E439 IonicContact NH2-OE2 3.04Å; R411-E439 PolarHBondContact NH2-OE2 3.19Å
412	V	86.1	Confident	81.3	Confident	56 Å²	56	52.4 Å²	52.4	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-35.9	177.9	167.1	0	0	0	0	112.2	N408 D409 K416	N408-V412 WeakPolarHBondContact O-CG2 3.17Å; N408-V412 PolarHBondContact O-N 3.49Å; D409-V412 PolarHBondContact O-N 2.87Å; V412-K416 HydrophobicContact CG1-CD 3.91Å; V412-K416 VanDerWaalsContact CG1-CE 3.47Å; V412-K416 VanDerWaalsContact CG1-NZ 3.31Å; V412-K416 WeakPolarHBondContact O-CB 3.47Å; V412-K416 WeakPolarHBondContact O-CD 3.47Å; V412-K416 WeakPolarHBondContact O-CG 3.32Å; V412-K416 PolarHBondContact O-N 3.03Å
413	V	84.5	Confident	80.8	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-45.8	173.1	164.7	0	0	0	0	111	W394 L397 Y401 D409 A410 R411 K416 A417	W394-V413 HydrophobicContact CE3-CG1 3.79Å; W394-V413 HydrophobicContact CZ3-CG1 4.12Å; W394-V413 WeakPolarHBondContact CZ3-O 3.37Å; L397-V413 HydrophobicContact CB-CG1 4.41Å; L397-V413 HydrophobicContact CD2-CG1 3.82Å; L397-V413 HydrophobicContact CD2-CG2 4.11Å; L397-V413 HydrophobicContact CG-CG1 4.02Å; L397-V413 HydrophobicContact CG-CG2 4.44Å; Y401-V413 HydrophobicContact CD2-CG2 4.06Å; Y401-V413 HydrophobicContact CE2-CG2 3.73Å; D409-V413 WeakPolarHBondContact O-CB 3.45Å; D409-V413 VanDerWaalsContact O-CG2 3.3Å; D409-V413 WeakPolarHBondContact O-CG2 3.44Å; D409-V413 PolarHBondContact O-N 3.15Å; A410-V413 PolarHBondContact O-N 3.37Å; R411-V413 VanDerWaalsContact C-N 3.33Å; R411-V413 PolarHBondContact O-N 3.36Å; V413-K416 PolarHBondContact O-N 3.02Å; V413-A417 WeakPolarHBondContact O-CB 3.28Å; V413-A417 PolarHBondContact O-N 2.68Å
414	L	83.4	Confident	80.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.2	-41.9	178.3	-69.4	162.8	0	0	0	111.8	S398 A410 R411 K416 A417 T418 I431 W435 M438	S398-L414 WeakPolarHBondContact OG-CD1 3.31Å; A410-L414 WeakPolarHBondContact O-CB 3.37Å; A410-L414 VanDerWaalsContact O-CG 3.31Å; A410-L414 WeakPolarHBondContact O-CG 3.42Å; A410-L414 PolarHBondContact O-N 3.47Å; R411-L414 PolarHBondContact O-N 2.71Å; L414-K416 PolarHBondContact O-N 3.38Å; L414-A417 WeakPolarHBondContact O-CA 3.32Å; L414-A417 VanDerWaalsContact O-CB 3.31Å; L414-A417 WeakPolarHBondContact O-CB 3.47Å; L414-A417 PolarHBondContact O-N 3.28Å; L414-A417 VanDerWaalsContact O-N 3.15Å; L414-T418 WeakPolarHBondContact O-CG2 3.4Å; L414-T418 PolarHBondContact O-N 2.71Å; L414-I431 HydrophobicContact CD2-CG2 4.12Å; L414-W435 HydrophobicContact CB-CB 4.43Å; L414-W435 HydrophobicContact CB-CD2 4.02Å; L414-W435 HydrophobicContact CB-CE3 4.23Å; L414-W435 HydrophobicContact CB-CG 4.14Å; L414-W435 HydrophobicContact CD1-CB 3.79Å; L414-W435 HydrophobicContact CD1-CD2 4.38Å; L414-W435 HydrophobicContact CD1-CG 3.68Å; L414-W435 HydrophobicContact CD2-CB 4.35Å; L414-W435 HydrophobicContact CG-CB 4.42Å; L414-W435 HydrophobicContact CG-CG 4.44Å; L414-M438 HydrophobicContact CD1-CE 3.61Å
415	E	85.9	Confident	80.4	Confident	102 Å²	102	51.4 Å²	51.4	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-57.3	-49.8	172.1	-78.6	-173	158.6	0	0	111.4	R411 A417 T418 G419 W435	R411-E415 WeakPolarHBondContact O-CB 3.45Å; R411-E415 WeakPolarHBondContact O-CG 3.28Å; R411-E415 PolarHBondContact O-N 2.84Å; E415-A417 VanDerWaalsContact C-N 3.28Å; E415-A417 PolarHBondContact O-N 3.07Å; E415-T418 PolarHBondContact O-N 2.94Å; E415-T418 VanDerWaalsContact O-N 3.12Å; E415-T418 PolarHBondContact O-OG1 2.83Å; E415-G419 PolarHBondContact O-N 3.5Å; E415-W435 HydrophobicContact CG-CH2 3.29Å; E415-W435 HydrophobicContact CG-CZ2 3.92Å; E415-W435 HydrophobicContact CG-CZ3 3.97Å
416	K	85.2	Confident	80.5	Confident	70 Å²	70	50.3 Å²	50.3	30%	0.304	27%	0.274	S	S	.	.	H	α-helix	trans	-58.2	-40.7	174.8	-73.6	166.7	-179.1	169.7	0	111.3	W394 V412 V413 L414 T418 G419 V870 F871	W394-K416 HydrophobicContact CH2-CB 4.34Å; W394-K416 HydrophobicContact CZ3-CB 4.25Å; V412-K416 HydrophobicContact CG1-CD 3.91Å; V412-K416 VanDerWaalsContact CG1-CE 3.47Å; V412-K416 VanDerWaalsContact CG1-NZ 3.31Å; V412-K416 WeakPolarHBondContact O-CB 3.47Å; V412-K416 WeakPolarHBondContact O-CD 3.47Å; V412-K416 WeakPolarHBondContact O-CG 3.32Å; V412-K416 PolarHBondContact O-N 3.03Å; V413-K416 PolarHBondContact O-N 3.02Å; L414-K416 PolarHBondContact O-N 3.38Å; K416-T418 PolarHBondContact O-N 3.36Å; K416-G419 PolarHBondContact O-N 3.43Å; K416-V870 PolarHBondContact NZ-O 2.92Å; K416-F871 HydrophobicContact CD-CE1 3.63Å; K416-F871 HydrophobicContact CD-CZ 3.87Å
417	A	82.4	Confident	80.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-40	175.1	0	0	0	0	0	112.8	W394 V413 L414 E415 G419 V420 F422 I431	W394-A417 HydrophobicContact CB-CB 3.96Å; W394-A417 HydrophobicContact CD2-CB 3.41Å; W394-A417 VanDerWaalsContact CD2-CB 3.41Å; W394-A417 HydrophobicContact CE3-CB 3.43Å; W394-A417 VanDerWaalsContact CE3-CB 3.43Å; W394-A417 HydrophobicContact CG-CB 3.67Å; W394-A417 HydrophobicContact CZ3-CB 4.02Å; V413-A417 WeakPolarHBondContact O-CB 3.28Å; V413-A417 PolarHBondContact O-N 2.68Å; L414-A417 WeakPolarHBondContact O-CA 3.32Å; L414-A417 VanDerWaalsContact O-CB 3.31Å; L414-A417 WeakPolarHBondContact O-CB 3.47Å; L414-A417 PolarHBondContact O-N 3.28Å; L414-A417 VanDerWaalsContact O-N 3.15Å; E415-A417 VanDerWaalsContact C-N 3.28Å; E415-A417 PolarHBondContact O-N 3.07Å; A417-G419 PolarHBondContact O-N 3.35Å; A417-V420 WeakPolarHBondContact O-CB 3.34Å; A417-V420 PolarHBondContact O-N 2.71Å; A417-V420 VanDerWaalsContact O-N 3.09Å; A417-F422 WeakPolarHBondContact O-CE2 3.21Å; A417-I431 HydrophobicContact CB-CD1 3.89Å; A417-I431 HydrophobicContact CB-CG1 4.21Å; A417-I431 HydrophobicContact CB-CG2 3.8Å
418	T	78.5	Confident	80.5	Confident	24 Å²	24	47.4 Å²	47.4	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-23.6	177	67.3	0	0	0	0	113.3	L414 E415 K416 V420 L428 I431 W432 W435 Q473	L414-T418 WeakPolarHBondContact O-CG2 3.4Å; L414-T418 PolarHBondContact O-N 2.71Å; E415-T418 PolarHBondContact O-N 2.94Å; E415-T418 VanDerWaalsContact O-N 3.12Å; E415-T418 PolarHBondContact O-OG1 2.83Å; K416-T418 PolarHBondContact O-N 3.36Å; T418-V420 VanDerWaalsContact C-N 3.28Å; T418-V420 PolarHBondContact O-N 3.21Å; T418-L428 HydrophobicContact CG2-CD1 4.34Å; T418-I431 HydrophobicContact CG2-CG2 3.99Å; T418-W432 HydrophobicContact CG2-CD2 4.06Å; T418-W432 VanDerWaalsContact CG2-CE2 3.44Å; T418-W432 HydrophobicContact CG2-CH2 4.3Å; T418-W432 HydrophobicContact CG2-CZ2 3.6Å; T418-W435 HydrophobicContact CG2-CE3 4.41Å; T418-W435 HydrophobicContact CG2-CZ3 4.3Å; T418-Q473 PolarHBondContact O-NE2 3.3Å
419	G	78	Confident	80.5	Confident	52 Å²	52	42.1 Å²	42.1	54%	0.536	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.2	173.7	0	0	0	0	0	114.7	E415 K416 A417	E415-G419 PolarHBondContact O-N 3.5Å; K416-G419 PolarHBondContact O-N 3.43Å; A417-G419 PolarHBondContact O-N 3.35Å
420	V	76.1	Confident	80.6	Confident	35 Å²	35	40.8 Å²	40.8	21%	0.212	23%	0.227	C	C	.	.	S	Bend	trans	-80.2	133	-173.4	178.4	0	0	0	0	111.9	P382 W394 A417 T418 F422	P382-V420 HydrophobicContact CB-CG1 4.31Å; P382-V420 HydrophobicContact CG-CG1 3.49Å; P382-V420 VanDerWaalsContact CG-CG1 3.49Å; W394-V420 HydrophobicContact CZ2-CG2 3.74Å; A417-V420 WeakPolarHBondContact O-CB 3.34Å; A417-V420 PolarHBondContact O-N 2.71Å; A417-V420 VanDerWaalsContact O-N 3.09Å; T418-V420 VanDerWaalsContact C-N 3.28Å; T418-V420 PolarHBondContact O-N 3.21Å; V420-F422 HydrophobicContact CB-CD2 4.39Å; V420-F422 HydrophobicContact CB-CE1 4.31Å; V420-F422 HydrophobicContact CB-CE2 3.74Å; V420-F422 HydrophobicContact CB-CZ 3.68Å; V420-F422 HydrophobicContact CG1-CD1 4.23Å; V420-F422 HydrophobicContact CG1-CD2 4.44Å; V420-F422 HydrophobicContact CG1-CE1 3.8Å; V420-F422 HydrophobicContact CG1-CE2 4.05Å; V420-F422 HydrophobicContact CG1-CZ 3.7Å; V420-F422 VanDerWaalsContact O-CD2 3.25Å; V420-F422 WeakPolarHBondContact O-CD2 3.21Å; V420-F422 PolarHBondContact O-N 2.88Å
421	A	74.2	Confident	80.7	Confident	78 Å²	78	40.8 Å²	40.8	65%	0.645	23%	0.227	S	C	*	.			trans	-81.4	73.5	179.4	0	0	0	0	0	112.4
422	F	73.1	Confident	80.8	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.026	22%	0.223	C	C	.	.			trans	-62.5	151.1	169.8	-54.3	-75.5	0	0	0	111.8	P382 P390 W394 A417 V420 D427 L428 I431 V472	P382-F422 HydrophobicContact CB-CD1 4.01Å; P390-F422 HydrophobicContact CB-CD1 3.93Å; P390-F422 HydrophobicContact CB-CE1 3.8Å; W394-F422 AromaticContact CD1-CZ 3.96Å; W394-F422 AromaticContact NE1-CZ 3.98Å; A417-F422 WeakPolarHBondContact O-CE2 3.21Å; V420-F422 HydrophobicContact CB-CD2 4.39Å; V420-F422 HydrophobicContact CB-CE1 4.31Å; V420-F422 HydrophobicContact CB-CE2 3.74Å; V420-F422 HydrophobicContact CB-CZ 3.68Å; V420-F422 HydrophobicContact CG1-CD1 4.23Å; V420-F422 HydrophobicContact CG1-CD2 4.44Å; V420-F422 HydrophobicContact CG1-CE1 3.8Å; V420-F422 HydrophobicContact CG1-CE2 4.05Å; V420-F422 HydrophobicContact CG1-CZ 3.7Å; V420-F422 VanDerWaalsContact O-CD2 3.25Å; V420-F422 WeakPolarHBondContact O-CD2 3.21Å; V420-F422 PolarHBondContact O-N 2.88Å; F422-D427 HydrophobicContact CB-CB 4.06Å; F422-D427 HydrophobicContact CD1-CB 4.05Å; F422-D427 HydrophobicContact CD2-CB 4.46Å; F422-D427 HydrophobicContact CG-CB 3.92Å; F422-L428 HydrophobicContact CD2-CB 4.22Å; F422-L428 HydrophobicContact CE2-CD1 4.46Å; F422-I431 HydrophobicContact CD2-CD1 4.37Å; F422-I431 HydrophobicContact CE1-CD1 4.33Å; F422-I431 HydrophobicContact CE2-CD1 3.34Å; F422-I431 HydrophobicContact CZ-CD1 3.32Å; F422-V472 WeakPolarHBondContact O-CB 3.24Å; F422-V472 WeakPolarHBondContact O-CG2 3.27Å
423	M	72.3	Confident	80.8	Confident	115 Å²	115	37 Å²	37	57%	0.567	21%	0.207	S	C	*	.	S	Bend	trans	-74.9	-29.8	171.8	-75.8	-163	165.5	0	0	113.8	A383	A383-M423 HydrophobicContact CB-CE 3.8Å
424	H	75.8	Confident	80.7	Confident	120 Å²	120	38.2 Å²	38.2	56%	0.556	21%	0.213	S	C	*	.			trans	-108.7	133.5	-174.9	-60.9	-69.8	0	0	0	111.8	E426 D427	H424-E426 PolarHBondContact O-N 3.31Å; H424-D427 PolarHBondContact O-N 2.91Å
425	V	78.4	Confident	80.8	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-25.3	176.3	-167.8	0	0	0	0	111.7	D427 L428 A429 Y465 V472 R475 L476	V425-D427 PolarHBondContact O-N 3.15Å; V425-L428 PolarHBondContact O-N 2.89Å; V425-A429 VanDerWaalsContact O-CB 3.23Å; V425-A429 WeakPolarHBondContact O-CB 3.42Å; V425-A429 PolarHBondContact O-N 3.17Å; V425-Y465 HydrophobicContact CB-CE2 4.01Å; V425-Y465 HydrophobicContact CG1-CE2 4.14Å; V425-Y465 HydrophobicContact CG2-CD2 4.4Å; V425-Y465 HydrophobicContact CG2-CE2 3.71Å; V425-V472 HydrophobicContact CB-CG1 4.29Å; V425-V472 HydrophobicContact CG1-CG1 4.46Å; V425-V472 HydrophobicContact CG2-CG1 4.14Å; V425-V472 HydrophobicContact CG2-CG2 4.09Å; V425-R475 HydrophobicContact CG2-CB 3.92Å; V425-L476 HydrophobicContact CG1-CD1 4.06Å
426	E	80	Confident	80.7	Confident	110 Å²	110	33.9 Å²	33.9	51%	0.514	19%	0.192	S	C	.	.	H	α-helix	trans	-63.2	-34.7	174.7	-62.6	-175.2	177.8	0	0	113.7	R389 H424 A429 A430	R389-E426 IonicContact CZ-OE2 2.8Å; R389-E426 IonicContact NE-OE2 2.66Å; R389-E426 IonicContact NH2-OE2 2.69Å; R389-E426 PolarHBondContact NH2-OE2 2.67Å; H424-E426 PolarHBondContact O-N 3.31Å; E426-A429 CarbonylContact O-C 3.52Å; E426-A429 PolarHBondContact O-N 2.8Å; E426-A430 WeakPolarHBondContact O-CB 3.48Å; E426-A430 PolarHBondContact O-N 3.32Å
427	D	78.5	Confident	80.7	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-45.3	178.2	-81.4	-70.9	0	0	0	111.4	R389 S391 F422 H424 V425 A429 A430 I431	R389-D427 VanDerWaalsContact CB-OD1 3.23Å; R389-D427 WeakPolarHBondContact CB-OD1 3.45Å; R389-D427 WeakPolarHBondContact CG-OD1 3.43Å; S391-D427 VanDerWaalsContact CB-O 3.31Å; S391-D427 WeakPolarHBondContact CB-O 3.29Å; S391-D427 VanDerWaalsContact CB-OD1 3.25Å; S391-D427 WeakPolarHBondContact CB-OD1 3.29Å; S391-D427 PolarHBondContact N-OD1 3.33Å; S391-D427 VanDerWaalsContact N-OD1 3.12Å; S391-D427 PolarHBondContact OG-OD1 3.48Å; F422-D427 HydrophobicContact CB-CB 4.06Å; F422-D427 HydrophobicContact CD1-CB 4.05Å; F422-D427 HydrophobicContact CD2-CB 4.46Å; F422-D427 HydrophobicContact CG-CB 3.92Å; H424-D427 PolarHBondContact O-N 2.91Å; V425-D427 PolarHBondContact O-N 3.15Å; D427-A429 VanDerWaalsContact C-N 3.33Å; D427-A429 PolarHBondContact O-N 2.97Å; D427-A430 WeakPolarHBondContact O-CB 3.45Å; D427-A430 PolarHBondContact O-N 3.18Å; D427-A430 VanDerWaalsContact O-N 3.08Å; D427-I431 PolarHBondContact O-N 3.26Å; D427-I431 VanDerWaalsContact O-N 3.15Å
428	L	83.4	Confident	80.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-41	174.6	-173.7	56	0	0	0	110.6	T418 F422 V425 A430 I431 W432 V472 Q473 L476	T418-L428 HydrophobicContact CG2-CD1 4.34Å; F422-L428 HydrophobicContact CD2-CB 4.22Å; F422-L428 HydrophobicContact CE2-CD1 4.46Å; V425-L428 PolarHBondContact O-N 2.89Å; L428-A430 PolarHBondContact O-N 3.33Å; L428-I431 PolarHBondContact O-N 3Å; L428-W432 PolarHBondContact O-N 2.89Å; L428-V472 HydrophobicContact CB-CG1 3.8Å; L428-V472 HydrophobicContact CD2-CG1 3.82Å; L428-V472 HydrophobicContact CG-CG1 4.47Å; L428-Q473 HydrophobicContact CD2-CB 4.29Å; L428-Q473 HydrophobicContact CD2-CG 3.85Å; L428-L476 HydrophobicContact CB-CD1 4.07Å; L428-L476 HydrophobicContact CD2-CB 4.41Å; L428-L476 HydrophobicContact CD2-CD1 3.98Å; L428-L476 HydrophobicContact CD2-CD2 4.02Å; L428-L476 HydrophobicContact CD2-CG 4.37Å; L428-L476 HydrophobicContact CG-CD1 3.79Å; L428-L476 HydrophobicContact CG-CD2 4.14Å
429	A	83.6	Confident	81.1	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-18	172.7	0	0	0	0	0	113.9	V425 E426 D427 C433 L476 R481 L482	V425-A429 VanDerWaalsContact O-CB 3.23Å; V425-A429 WeakPolarHBondContact O-CB 3.42Å; V425-A429 PolarHBondContact O-N 3.17Å; E426-A429 CarbonylContact O-C 3.52Å; E426-A429 PolarHBondContact O-N 2.8Å; D427-A429 VanDerWaalsContact C-N 3.33Å; D427-A429 PolarHBondContact O-N 2.97Å; A429-C433 WeakPolarHBondContact O-CB 3.39Å; A429-C433 PolarHBondContact O-N 3.28Å; A429-C433 PolarHBondContact O-SG 2.95Å; A429-L476 HydrophobicContact CB-CD1 4.27Å; A429-R481 PolarHBondContact O-NH2 3.49Å; A429-L482 HydrophobicContact CB-CD1 4.13Å; A429-L482 HydrophobicContact CB-CD2 4.44Å; A429-L482 HydrophobicContact CB-CG 3.92Å
430	A	85.4	Confident	81.3	Confident	15 Å²	15	32.8 Å²	32.8	12%	0.124	17%	0.173	C	C	.	.	H	α-helix	trans	-74.3	-48.2	170	0	0	0	0	0	111.2	E426 D427 L428 W432 C433 E434	E426-A430 WeakPolarHBondContact O-CB 3.48Å; E426-A430 PolarHBondContact O-N 3.32Å; D427-A430 WeakPolarHBondContact O-CB 3.45Å; D427-A430 PolarHBondContact O-N 3.18Å; D427-A430 VanDerWaalsContact O-N 3.08Å; L428-A430 PolarHBondContact O-N 3.33Å; A430-W432 PolarHBondContact O-N 2.92Å; A430-C433 PolarHBondContact O-N 3.15Å; A430-E434 WeakPolarHBondContact O-CB 3.41Å; A430-E434 VanDerWaalsContact O-CG 3.27Å; A430-E434 WeakPolarHBondContact O-CG 3.41Å; A430-E434 PolarHBondContact O-N 3Å
431	I	84.8	Confident	81.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.5	-45.9	175.7	-70.9	153.8	0	0	0	111.4	W394 L414 A417 T418 F422 D427 L428 E434 W435	W394-I431 HydrophobicContact CB-CD1 4.35Å; W394-I431 HydrophobicContact CB-CG1 4.2Å; W394-I431 HydrophobicContact CG-CD1 4.46Å; L414-I431 HydrophobicContact CD2-CG2 4.12Å; A417-I431 HydrophobicContact CB-CD1 3.89Å; A417-I431 HydrophobicContact CB-CG1 4.21Å; A417-I431 HydrophobicContact CB-CG2 3.8Å; T418-I431 HydrophobicContact CG2-CG2 3.99Å; F422-I431 HydrophobicContact CD2-CD1 4.37Å; F422-I431 HydrophobicContact CE1-CD1 4.33Å; F422-I431 HydrophobicContact CE2-CD1 3.34Å; F422-I431 HydrophobicContact CZ-CD1 3.32Å; D427-I431 PolarHBondContact O-N 3.26Å; D427-I431 VanDerWaalsContact O-N 3.15Å; L428-I431 PolarHBondContact O-N 3Å; I431-E434 PolarHBondContact O-N 2.96Å; I431-W435 WeakPolarHBondContact O-CB 3.31Å; I431-W435 PolarHBondContact O-N 2.78Å
432	W	87.5	Confident	82.2	Confident	27 Å²	27	34.4 Å²	34.4	10%	0.102	16%	0.161	C	C	.	.	H	α-helix	trans	-69.8	-36.7	179.1	-77.4	104.7	0	0	0	114.1	T418 L428 A430 W435 A436 L451 K454 A455 L476 L482	T418-W432 HydrophobicContact CG2-CD2 4.06Å; T418-W432 VanDerWaalsContact CG2-CE2 3.44Å; T418-W432 HydrophobicContact CG2-CH2 4.3Å; T418-W432 HydrophobicContact CG2-CZ2 3.6Å; L428-W432 PolarHBondContact O-N 2.89Å; A430-W432 PolarHBondContact O-N 2.92Å; W432-W435 AromaticContact CE3-CE3 3.84Å; W432-W435 HydrophobicContact CE3-CE3 3.84Å; W432-W435 HydrophobicContact CE3-CZ3 4.21Å; W432-W435 HydrophobicContact CH2-CE3 4.4Å; W432-W435 AromaticContact CH2-CZ3 3.93Å; W432-W435 HydrophobicContact CH2-CZ3 3.93Å; W432-W435 AromaticContact CZ3-CE3 3.74Å; W432-W435 HydrophobicContact CZ3-CE3 3.74Å; W432-W435 AromaticContact CZ3-CZ3 3.65Å; W432-W435 HydrophobicContact CZ3-CZ3 3.65Å; W432-A436 WeakPolarHBondContact O-CB 3.5Å; W432-A436 PolarHBondContact O-N 3.19Å; W432-L451 HydrophobicContact CZ3-CB 4.19Å; W432-L451 HydrophobicContact CZ3-CD2 4.21Å; W432-L451 WeakPolarHBondContact CZ3-O 3.18Å; W432-K454 HydrophobicContact CH2-CB 4.5Å; W432-A455 HydrophobicContact CD2-CB 3.7Å; W432-A455 HydrophobicContact CE3-CB 3.8Å; W432-A455 HydrophobicContact CG-CB 4.14Å; W432-A455 HydrophobicContact CH2-CB 4.35Å; W432-A455 HydrophobicContact CZ2-CB 4.27Å; W432-A455 HydrophobicContact CZ3-CB 4.13Å; W432-L476 VanDerWaalsContact CD1-CD2 3.46Å; W432-L476 HydrophobicContact CG-CD2 4.28Å; W432-L476 VanDerWaalsContact NE1-CD2 3.31Å; W432-L482 HydrophobicContact CB-CD1 4Å; W432-L482 HydrophobicContact CB-CD2 3.53Å; W432-L482 HydrophobicContact CB-CG 4.44Å; W432-L482 HydrophobicContact CG-CD1 4.39Å
433	C	85.3	Confident	82.5	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.02	20%	0.197	C	C	.	.	H	α-helix	trans	-65	-46	172.1	-75.9	0	0	0	0	111.3	A429 A430 W435 A436 E437 R481 L482 L485	A429-C433 WeakPolarHBondContact O-CB 3.39Å; A429-C433 PolarHBondContact O-N 3.28Å; A429-C433 PolarHBondContact O-SG 2.95Å; A430-C433 PolarHBondContact O-N 3.15Å; C433-W435 VanDerWaalsContact C-N 3.3Å; C433-W435 PolarHBondContact O-N 3.37Å; C433-A436 PolarHBondContact O-N 3.04Å; C433-E437 WeakPolarHBondContact O-CB 3.4Å; C433-E437 WeakPolarHBondContact O-CG 3.23Å; C433-E437 PolarHBondContact O-N 3.42Å; C433-R481 VanDerWaalsContact SG-CZ 3.52Å; C433-R481 PolarHBondContact SG-NH2 3.46Å; C433-L482 VanDerWaalsContact SG-CD2 3.59Å; C433-L485 HydrophobicContact CB-CD2 3.95Å
434	E	82.3	Confident	83.1	Confident	31 Å²	31	39.9 Å²	39.9	15%	0.145	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-29.1	-177.8	-66.7	-101.8	-174.7	0	0	112	T395 R399 A430 I431 M438 R441	T395-E434 HydrophobicContact CG2-CB 3.78Å; T395-E434 HydrophobicContact CG2-CG 3.62Å; R399-E434 IonicContact CZ-OE1 2.87Å; R399-E434 IonicContact CZ-OE2 2.71Å; R399-E434 VanDerWaalsContact CZ-OE2 3.24Å; R399-E434 IonicContact NE-OE1 3.04Å; R399-E434 IonicContact NE-OE2 2.66Å; R399-E434 PolarHBondContact NE-OE2 3.45Å; R399-E434 IonicContact NH2-OE1 2.7Å; R399-E434 PolarHBondContact NH2-OE1 2.87Å; R399-E434 IonicContact NH2-OE2 3.27Å; R399-E434 PolarHBondContact NH2-OE2 3.5Å; A430-E434 WeakPolarHBondContact O-CB 3.41Å; A430-E434 VanDerWaalsContact O-CG 3.27Å; A430-E434 WeakPolarHBondContact O-CG 3.41Å; A430-E434 PolarHBondContact O-N 3Å; I431-E434 PolarHBondContact O-N 2.96Å; E434-M438 VanDerWaalsContact O-CB 3.28Å; E434-M438 WeakPolarHBondContact O-CB 3.37Å; E434-M438 PolarHBondContact O-N 2.68Å; E434-R441 IonicContact OE2-NH2 2.69Å
435	W	85.9	Confident	83.3	Confident	9 Å²	9	35.6 Å²	35.6	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-51.2	167.6	-167.6	1	0	0	0	111.2	L414 E415 T418 I431 W432 C433 E437 M438 E439 L451	L414-W435 HydrophobicContact CB-CB 4.43Å; L414-W435 HydrophobicContact CB-CD2 4.02Å; L414-W435 HydrophobicContact CB-CE3 4.23Å; L414-W435 HydrophobicContact CB-CG 4.14Å; L414-W435 HydrophobicContact CD1-CB 3.79Å; L414-W435 HydrophobicContact CD1-CD2 4.38Å; L414-W435 HydrophobicContact CD1-CG 3.68Å; L414-W435 HydrophobicContact CD2-CB 4.35Å; L414-W435 HydrophobicContact CG-CB 4.42Å; L414-W435 HydrophobicContact CG-CG 4.44Å; E415-W435 HydrophobicContact CG-CH2 3.29Å; E415-W435 HydrophobicContact CG-CZ2 3.92Å; E415-W435 HydrophobicContact CG-CZ3 3.97Å; T418-W435 HydrophobicContact CG2-CE3 4.41Å; T418-W435 HydrophobicContact CG2-CZ3 4.3Å; I431-W435 WeakPolarHBondContact O-CB 3.31Å; I431-W435 PolarHBondContact O-N 2.78Å; W432-W435 AromaticContact CE3-CE3 3.84Å; W432-W435 HydrophobicContact CE3-CE3 3.84Å; W432-W435 HydrophobicContact CE3-CZ3 4.21Å; W432-W435 HydrophobicContact CH2-CE3 4.4Å; W432-W435 AromaticContact CH2-CZ3 3.93Å; W432-W435 HydrophobicContact CH2-CZ3 3.93Å; W432-W435 AromaticContact CZ3-CE3 3.74Å; W432-W435 HydrophobicContact CZ3-CE3 3.74Å; W432-W435 AromaticContact CZ3-CZ3 3.65Å; W432-W435 HydrophobicContact CZ3-CZ3 3.65Å; C433-W435 VanDerWaalsContact C-N 3.3Å; C433-W435 PolarHBondContact O-N 3.37Å; W435-E437 VanDerWaalsContact C-N 3.31Å; W435-E437 PolarHBondContact O-N 2.92Å; W435-M438 PolarHBondContact O-N 3.33Å; W435-M438 VanDerWaalsContact O-N 3.15Å; W435-E439 PolarHBondContact NE1-OE1 3.34Å; W435-E439 WeakPolarHBondContact O-CG 3.32Å; W435-E439 PolarHBondContact O-N 2.85Å; W435-L451 HydrophobicContact CD2-CD1 3.92Å; W435-L451 HydrophobicContact CD2-CD2 4.18Å; W435-L451 VanDerWaalsContact CE2-CD1 3.49Å; W435-L451 HydrophobicContact CE3-CD2 4.17Å; W435-L451 HydrophobicContact CG-CD1 4.15Å; W435-L451 HydrophobicContact CH2-CD2 3.36Å; W435-L451 HydrophobicContact CZ2-CD1 3.9Å; W435-L451 HydrophobicContact CZ2-CD2 3.37Å; W435-L451 HydrophobicContact CZ2-CG 4.28Å; W435-L451 HydrophobicContact CZ3-CD2 3.79Å
436	A	84.4	Confident	83.5	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-41.6	177.1	0	0	0	0	0	112	W432 C433 E439 M440 A448 L452 L485	W432-A436 WeakPolarHBondContact O-CB 3.5Å; W432-A436 PolarHBondContact O-N 3.19Å; C433-A436 PolarHBondContact O-N 3.04Å; A436-E439 PolarHBondContact O-N 3.25Å; A436-M440 WeakPolarHBondContact O-CB 3.35Å; A436-M440 WeakPolarHBondContact O-CG 3.38Å; A436-M440 PolarHBondContact O-N 3.42Å; A436-A448 HydrophobicContact CB-CB 4.31Å; A436-L452 HydrophobicContact CB-CD1 3.96Å; A436-L452 HydrophobicContact CB-CD2 3.99Å; A436-L452 HydrophobicContact CB-CG 3.92Å; A436-L485 HydrophobicContact CB-CD2 4.03Å
437	E	84.9	Confident	83.6	Confident	69 Å²	69	36.9 Å²	36.9	32%	0.322	18%	0.181	S	C	.	.	H	α-helix	trans	-64.2	-39.2	174.4	-73	178	-140.4	0	0	112.8	C433 W435 M440 R441	C433-E437 WeakPolarHBondContact O-CB 3.4Å; C433-E437 WeakPolarHBondContact O-CG 3.23Å; C433-E437 PolarHBondContact O-N 3.42Å; W435-E437 VanDerWaalsContact C-N 3.31Å; W435-E437 PolarHBondContact O-N 2.92Å; E437-M440 WeakPolarHBondContact O-CB 3.44Å; E437-M440 PolarHBondContact O-N 3.46Å; E437-R441 WeakPolarHBondContact O-CG 3.27Å; E437-R441 PolarHBondContact O-N 2.92Å; E437-R441 IonicContact OE2-CZ 2.71Å; E437-R441 IonicContact OE2-NH2 2.73Å; E437-R441 PolarHBondContact OE2-NH2 3.12Å
438	M	84.6	Confident	83.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-46.3	175.8	177.4	-86.6	-73.3	0	0	111.2	E402 A410 R411 L414 E434 W435 M440 R441 H442	E402-M438 HydrophobicContact CG-CG 4.49Å; A410-M438 HydrophobicContact CB-CE 4.27Å; R411-M438 HydrophobicContact CG-CE 3.9Å; L414-M438 HydrophobicContact CD1-CE 3.61Å; E434-M438 VanDerWaalsContact O-CB 3.28Å; E434-M438 WeakPolarHBondContact O-CB 3.37Å; E434-M438 PolarHBondContact O-N 2.68Å; W435-M438 PolarHBondContact O-N 3.33Å; W435-M438 VanDerWaalsContact O-N 3.15Å; M438-M440 VanDerWaalsContact C-N 3.26Å; M438-M440 PolarHBondContact O-N 2.99Å; M438-R441 PolarHBondContact O-N 3.3Å; M438-R441 VanDerWaalsContact O-N 3.13Å; M438-H442 PolarHBondContact O-CD2 2.82Å; M438-H442 PolarHBondContact O-N 3.09Å
439	E	83.9	Confident	83.7	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-33.3	175.5	-58.5	-74.2	172.4	0	0	111.8	R411 W435 A436 H442 D443 Q444 A447 A448 L451	R411-E439 WeakPolarHBondContact CG-OE1 3.31Å; R411-E439 IonicContact CZ-OE1 3.17Å; R411-E439 IonicContact CZ-OE2 3.46Å; R411-E439 IonicContact NE-OE1 2.67Å; R411-E439 PolarHBondContact NE-OE1 2.86Å; R411-E439 IonicContact NE-OE2 3.55Å; R411-E439 PolarHBondContact NE-OE2 3.21Å; R411-E439 IonicContact NH2-OE1 3.88Å; R411-E439 IonicContact NH2-OE2 3.04Å; R411-E439 PolarHBondContact NH2-OE2 3.19Å; W435-E439 PolarHBondContact NE1-OE1 3.34Å; W435-E439 WeakPolarHBondContact O-CG 3.32Å; W435-E439 PolarHBondContact O-N 2.85Å; A436-E439 PolarHBondContact O-N 3.25Å; E439-H442 CarbonylContact O-C 3.52Å; E439-H442 PolarHBondContact O-N 3.25Å; E439-D443 PolarHBondContact O-N 3.47Å; E439-Q444 PolarHBondContact O-N 3.18Å; E439-A447 HydrophobicContact CB-CB 4.47Å; E439-A448 HydrophobicContact CB-CB 4.18Å; E439-L451 HydrophobicContact CG-CD1 3.76Å
440	M	83.7	Confident	83.6	Confident	50 Å²	50	44.9 Å²	44.9	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-34.5	172.6	-76.8	-58.2	-54	0	0	113.7	A436 E437 M438 H442 D443 P445 A448 L489 F493	A436-M440 WeakPolarHBondContact O-CB 3.35Å; A436-M440 WeakPolarHBondContact O-CG 3.38Å; A436-M440 PolarHBondContact O-N 3.42Å; E437-M440 WeakPolarHBondContact O-CB 3.44Å; E437-M440 PolarHBondContact O-N 3.46Å; M438-M440 VanDerWaalsContact C-N 3.26Å; M438-M440 PolarHBondContact O-N 2.99Å; M440-H442 PolarHBondContact O-N 2.66Å; M440-D443 PolarHBondContact O-N 3.26Å; M440-P445 HydrophobicContact CE-CB 4.38Å; M440-P445 HydrophobicContact SD-CB 3.7Å; M440-A448 HydrophobicContact CG-CB 4.03Å; M440-A448 HydrophobicContact SD-CB 4.15Å; M440-L489 HydrophobicContact CE-CD2 3.91Å; M440-L489 HydrophobicContact CG-CD1 4.12Å; M440-L489 HydrophobicContact CG-CD2 3.97Å; M440-L489 HydrophobicContact SD-CD1 4.32Å; M440-L489 HydrophobicContact SD-CD2 3.62Å; M440-F493 HydrophobicContact CE-CD2 4.4Å; M440-F493 HydrophobicContact CE-CE2 3.48Å; M440-F493 VanDerWaalsContact CE-CE2 3.48Å; M440-F493 HydrophobicContact CE-CZ 3.74Å; M440-F493 HydrophobicContact SD-CE2 4.25Å
441	R	84.8	Confident	83.5	Confident	97 Å²	97	44.8 Å²	44.8	37%	0.366	21%	0.209	S	C	.	.	H	α-helix	trans	-71.6	-15	174.3	-68	163.6	-150.4	158.7	7.7	112.8	E402 E434 E437 M438	E402-R441 WeakPolarHBondContact OE1-CD 3.34Å; E402-R441 IonicContact OE1-CZ 3.66Å; E402-R441 IonicContact OE1-NE 3.53Å; E402-R441 IonicContact OE1-NH1 2.73Å; E402-R441 PolarHBondContact OE1-NH1 3.44Å; E402-R441 IonicContact OE2-NH1 2.76Å; E402-R441 PolarHBondContact OE2-NH1 2.8Å; E434-R441 IonicContact OE2-NH2 2.69Å; E437-R441 WeakPolarHBondContact O-CG 3.27Å; E437-R441 PolarHBondContact O-N 2.92Å; E437-R441 IonicContact OE2-CZ 2.71Å; E437-R441 IonicContact OE2-NH2 2.73Å; E437-R441 PolarHBondContact OE2-NH2 3.12Å; M438-R441 PolarHBondContact O-N 3.3Å; M438-R441 VanDerWaalsContact O-N 3.13Å
442	H	82.9	Confident	83.3	Confident	51 Å²	51	44.8 Å²	44.8	24%	0.236	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	24.5	177.5	-63.6	-56.7	0	0	0	113.2	L407 M438 E439 M440 Q444	L407-H442 HydrophobicContact CD1-CB 4.14Å; L407-H442 WeakPolarHBondContact CD2-NE2 3.41Å; M438-H442 PolarHBondContact O-CD2 2.82Å; M438-H442 PolarHBondContact O-N 3.09Å; E439-H442 CarbonylContact O-C 3.52Å; E439-H442 PolarHBondContact O-N 3.25Å; M440-H442 PolarHBondContact O-N 2.66Å; H442-Q444 VanDerWaalsContact C-N 3.27Å; H442-Q444 PolarHBondContact O-N 3.25Å
443	D	80.3	Confident	83	Confident	147 Å²	147	44.3 Å²	44.3	79%	0.786	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	32.2	174.7	-60.5	-44.7	0	0	0	114.8	E439 M440 P445	E439-D443 PolarHBondContact O-N 3.47Å; M440-D443 PolarHBondContact O-N 3.26Å; D443-P445 WeakPolarHBondContact O-CD 3.36Å
444	Q	83.9	Confident	82.8	Confident	89 Å²	89	50.2 Å²	50.2	42%	0.416	24%	0.238	S	C	.	.			trans	-114.5	61.4	176.3	-63.6	-173.6	15.1	0	0	112.4	E439 H442 E446 A447 A448	E439-Q444 PolarHBondContact O-N 3.18Å; H442-Q444 VanDerWaalsContact C-N 3.27Å; H442-Q444 PolarHBondContact O-N 3.25Å; Q444-E446 VanDerWaalsContact C-N 3.28Å; Q444-E446 PolarHBondContact O-N 2.9Å; Q444-A447 HydrophobicContact CB-CB 3.92Å; Q444-A447 WeakPolarHBondContact O-CA 3.23Å; Q444-A447 WeakPolarHBondContact O-CB 3.42Å; Q444-A447 PolarHBondContact O-N 2.64Å; Q444-A448 PolarHBondContact O-N 3.1Å; Q444-A448 VanDerWaalsContact O-N 3.15Å
445	P	80.7	Confident	82.5	Confident	29 Å²	29	49.1 Å²	49.1	19%	0.188	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-34.1	-178.8	26.1	-34.7	0	0	0	112.8	M440 D443 A447 A448 L449 F493	M440-P445 HydrophobicContact CE-CB 4.38Å; M440-P445 HydrophobicContact SD-CB 3.7Å; D443-P445 WeakPolarHBondContact O-CD 3.36Å; P445-A447 PolarHBondContact O-N 3.37Å; P445-A448 PolarHBondContact O-N 3.23Å; P445-L449 WeakPolarHBondContact O-CB 3.33Å; P445-L449 WeakPolarHBondContact O-CG 3.46Å; P445-L449 PolarHBondContact O-N 3.04Å; P445-F493 HydrophobicContact CB-CB 4.15Å; P445-F493 HydrophobicContact CB-CD1 3.65Å; P445-F493 HydrophobicContact CB-CD2 3.83Å; P445-F493 HydrophobicContact CB-CE1 3.94Å; P445-F493 HydrophobicContact CB-CE2 4.14Å; P445-F493 HydrophobicContact CB-CG 3.59Å; P445-F493 HydrophobicContact CB-CZ 4.18Å; P445-F493 HydrophobicContact CG-CD1 3.68Å; P445-F493 HydrophobicContact CG-CE1 3.88Å; P445-F493 HydrophobicContact CG-CG 4.14Å
446	E	82.8	Confident	81.8	Confident	127 Å²	127	48.9 Å²	48.9	59%	0.593	23%	0.234	S	C	*	.	H	α-helix	trans	-61.3	-33.1	172.5	-72.1	-167.9	-147.6	0	0	112.9	Q444 R450	Q444-E446 VanDerWaalsContact C-N 3.28Å; Q444-E446 PolarHBondContact O-N 2.9Å; E446-R450 VanDerWaalsContact O-CB 3.29Å; E446-R450 WeakPolarHBondContact O-CB 3.43Å; E446-R450 WeakPolarHBondContact O-CG 3.42Å; E446-R450 PolarHBondContact O-N 3.12Å; E446-R450 PolarHBondContact O-NE 2.95Å; E446-R450 IonicContact OE2-CZ 2.84Å; E446-R450 IonicContact OE2-NE 2.77Å; E446-R450 IonicContact OE2-NH2 3.73Å; E446-R450 PolarHBondContact OE2-NH2 3.24Å
447	A	82.2	Confident	81.2	Confident	17 Å²	17	53.4 Å²	53.4	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-70.6	-47.1	175.5	0	0	0	0	0	109.9	E439 Q444 P445 L449 R450 L451	E439-A447 HydrophobicContact CB-CB 4.47Å; Q444-A447 HydrophobicContact CB-CB 3.92Å; Q444-A447 WeakPolarHBondContact O-CA 3.23Å; Q444-A447 WeakPolarHBondContact O-CB 3.42Å; Q444-A447 PolarHBondContact O-N 2.64Å; P445-A447 PolarHBondContact O-N 3.37Å; A447-L449 PolarHBondContact O-N 3.46Å; A447-R450 PolarHBondContact O-N 3.02Å; A447-L451 WeakPolarHBondContact O-CB 3.35Å; A447-L451 WeakPolarHBondContact O-CD1 3.25Å; A447-L451 WeakPolarHBondContact O-CG 3.31Å; A447-L451 PolarHBondContact O-N 3.3Å
448	A	83.3	Confident	80.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.6	-47	174.6	0	0	0	0	0	112.4	A436 E439 M440 Q444 P445 L451 L452 L489	A436-A448 HydrophobicContact CB-CB 4.31Å; E439-A448 HydrophobicContact CB-CB 4.18Å; M440-A448 HydrophobicContact CG-CB 4.03Å; M440-A448 HydrophobicContact SD-CB 4.15Å; Q444-A448 PolarHBondContact O-N 3.1Å; Q444-A448 VanDerWaalsContact O-N 3.15Å; P445-A448 PolarHBondContact O-N 3.23Å; A448-L451 PolarHBondContact O-N 2.85Å; A448-L452 PolarHBondContact O-N 3.49Å; A448-L489 HydrophobicContact CB-CD1 4.06Å
449	L	80.8	Confident	79.4	Confident	25 Å²	25	55.1 Å²	55.1	13%	0.131	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-45.3	174.8	-73.4	-179	0	0	0	112.4	P445 A447 L451 G453 Y486 L489 E490 F493	P445-L449 WeakPolarHBondContact O-CB 3.33Å; P445-L449 WeakPolarHBondContact O-CG 3.46Å; P445-L449 PolarHBondContact O-N 3.04Å; A447-L449 PolarHBondContact O-N 3.46Å; L449-L451 VanDerWaalsContact C-N 3.25Å; L449-L451 PolarHBondContact O-N 3.08Å; L449-G453 PolarHBondContact O-N 3.27Å; L449-Y486 HydrophobicContact CD2-CD2 4.2Å; L449-Y486 HydrophobicContact CD2-CE2 4.04Å; L449-L489 HydrophobicContact CD2-CB 3.76Å; L449-E490 HydrophobicContact CD2-CG 3.77Å; L449-F493 HydrophobicContact CD1-CB 4.08Å
450	R	82.2	Confident	78.3	Confident	152 Å²	152	61.3 Å²	61.3	57%	0.574	33%	0.327	S	S	*	.	H	α-helix	trans	-65.2	-27.8	176.4	-75.1	-177.8	-109.2	139.6	-13.2	112.6	E446 A447 K454	E446-R450 VanDerWaalsContact O-CB 3.29Å; E446-R450 WeakPolarHBondContact O-CB 3.43Å; E446-R450 WeakPolarHBondContact O-CG 3.42Å; E446-R450 PolarHBondContact O-N 3.12Å; E446-R450 PolarHBondContact O-NE 2.95Å; E446-R450 IonicContact OE2-CZ 2.84Å; E446-R450 IonicContact OE2-NE 2.77Å; E446-R450 IonicContact OE2-NH2 3.73Å; E446-R450 PolarHBondContact OE2-NH2 3.24Å; A447-R450 PolarHBondContact O-N 3.02Å; R450-K454 VanDerWaalsContact O-CG 3.32Å; R450-K454 WeakPolarHBondContact O-CG 3.42Å; R450-K454 PolarHBondContact O-N 3.15Å
451	L	82.5	Confident	77.3	Confident	12 Å²	12	68.2 Å²	68.2	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-79.5	-48.4	177.1	-71.5	165.6	0	0	0	112.3	W432 W435 E439 A447 A448 L449 G453 K454 A455	W432-L451 HydrophobicContact CZ3-CB 4.19Å; W432-L451 HydrophobicContact CZ3-CD2 4.21Å; W432-L451 WeakPolarHBondContact CZ3-O 3.18Å; W435-L451 HydrophobicContact CD2-CD1 3.92Å; W435-L451 HydrophobicContact CD2-CD2 4.18Å; W435-L451 VanDerWaalsContact CE2-CD1 3.49Å; W435-L451 HydrophobicContact CE3-CD2 4.17Å; W435-L451 HydrophobicContact CG-CD1 4.15Å; W435-L451 HydrophobicContact CH2-CD2 3.36Å; W435-L451 HydrophobicContact CZ2-CD1 3.9Å; W435-L451 HydrophobicContact CZ2-CD2 3.37Å; W435-L451 HydrophobicContact CZ2-CG 4.28Å; W435-L451 HydrophobicContact CZ3-CD2 3.79Å; E439-L451 HydrophobicContact CG-CD1 3.76Å; A447-L451 WeakPolarHBondContact O-CB 3.35Å; A447-L451 WeakPolarHBondContact O-CD1 3.25Å; A447-L451 WeakPolarHBondContact O-CG 3.31Å; A447-L451 PolarHBondContact O-N 3.3Å; A448-L451 PolarHBondContact O-N 2.85Å; L449-L451 VanDerWaalsContact C-N 3.25Å; L449-L451 PolarHBondContact O-N 3.08Å; L451-G453 VanDerWaalsContact C-N 3.26Å; L451-G453 PolarHBondContact O-N 2.93Å; L451-K454 HydrophobicContact CD2-CD 4.44Å; L451-K454 WeakPolarHBondContact O-CB 3.11Å; L451-K454 PolarHBondContact O-N 3.49Å; L451-K454 VanDerWaalsContact O-N 3.12Å; L451-A455 PolarHBondContact O-N 3.31Å
452	L	81.4	Confident	76.2	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-32.4	173.5	-65.5	-179.3	0	0	0	111.7	A436 A448 A455 T456 L482 L485 Y486 L489	A436-L452 HydrophobicContact CB-CD1 3.96Å; A436-L452 HydrophobicContact CB-CD2 3.99Å; A436-L452 HydrophobicContact CB-CG 3.92Å; A448-L452 PolarHBondContact O-N 3.49Å; L452-A455 PolarHBondContact O-N 2.59Å; L452-T456 WeakPolarHBondContact O-CB 3.24Å; L452-T456 WeakPolarHBondContact O-CG2 3.25Å; L452-T456 PolarHBondContact O-N 3.12Å; L452-T456 PolarHBondContact O-OG1 3.05Å; L452-L482 HydrophobicContact CD2-CD2 3.94Å; L452-L485 HydrophobicContact CD1-CB 4.47Å; L452-L485 HydrophobicContact CD1-CD2 4.18Å; L452-L485 HydrophobicContact CD1-CG 3.95Å; L452-Y486 HydrophobicContact CB-CD2 3.66Å; L452-Y486 HydrophobicContact CB-CE2 4.48Å; L452-Y486 HydrophobicContact CB-CG 4.06Å; L452-Y486 HydrophobicContact CD1-CD2 4.39Å; L452-L489 HydrophobicContact CD1-CD1 3.89Å
453	G	79.5	Confident	75	Confident	17 Å²	17	71.7 Å²	71.7	18%	0.175	37%	0.367	C	S	.	.	H	α-helix	trans	-58.3	-44.6	168.9	0	0	0	0	0	112.8	L449 L451 T456 T457	L449-G453 PolarHBondContact O-N 3.27Å; L451-G453 VanDerWaalsContact C-N 3.26Å; L451-G453 PolarHBondContact O-N 2.93Å; G453-T456 PolarHBondContact O-N 2.98Å; G453-T456 PolarHBondContact O-OG1 2.88Å; G453-T457 PolarHBondContact O-N 2.83Å
454	K	81.9	Confident	74.2	Confident	128 Å²	128	70.1 Å²	70.1	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-64.1	-40.2	172.1	-70.1	166.3	-177.1	179.6	0	112.2	W432 R450 L451 T456 T457	W432-K454 HydrophobicContact CH2-CB 4.5Å; R450-K454 VanDerWaalsContact O-CG 3.32Å; R450-K454 WeakPolarHBondContact O-CG 3.42Å; R450-K454 PolarHBondContact O-N 3.15Å; L451-K454 HydrophobicContact CD2-CD 4.44Å; L451-K454 WeakPolarHBondContact O-CB 3.11Å; L451-K454 PolarHBondContact O-N 3.49Å; L451-K454 VanDerWaalsContact O-N 3.12Å; K454-T456 VanDerWaalsContact C-N 3.32Å; K454-T456 PolarHBondContact O-N 3.02Å; K454-T457 PolarHBondContact O-OG1 3.12Å
455	A	76.3	Confident	73	Confident	7 Å²	7	69.2 Å²	69.2	6%	0.058	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-27	-179.3	0	0	0	0	0	113.5	W432 L451 L452 L476 L482	W432-A455 HydrophobicContact CD2-CB 3.7Å; W432-A455 HydrophobicContact CE3-CB 3.8Å; W432-A455 HydrophobicContact CG-CB 4.14Å; W432-A455 HydrophobicContact CH2-CB 4.35Å; W432-A455 HydrophobicContact CZ2-CB 4.27Å; W432-A455 HydrophobicContact CZ3-CB 4.13Å; L451-A455 PolarHBondContact O-N 3.31Å; L452-A455 PolarHBondContact O-N 2.59Å; A455-L476 HydrophobicContact CB-CD2 4.03Å; A455-L482 HydrophobicContact CB-CD1 4.31Å
456	T	70.2	Confident	72	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-97.2	-8.8	-176.9	53.8	0	0	0	0	114.7	L452 G453 K454 A458 W483 Y486	L452-T456 WeakPolarHBondContact O-CB 3.24Å; L452-T456 WeakPolarHBondContact O-CG2 3.25Å; L452-T456 PolarHBondContact O-N 3.12Å; L452-T456 PolarHBondContact O-OG1 3.05Å; G453-T456 PolarHBondContact O-N 2.98Å; G453-T456 PolarHBondContact O-OG1 2.88Å; K454-T456 VanDerWaalsContact C-N 3.32Å; K454-T456 PolarHBondContact O-N 3.02Å; T456-A458 PolarHBondContact O-N 3.49Å; T456-W483 HydrophobicContact CG2-CD2 3.99Å; T456-W483 HydrophobicContact CG2-CE3 4.19Å; T456-W483 HydrophobicContact CG2-CH2 4.19Å; T456-W483 HydrophobicContact CG2-CZ2 3.97Å; T456-W483 HydrophobicContact CG2-CZ3 4.3Å; T456-Y486 HydrophobicContact CG2-CD1 4.08Å
457	T	73.2	Confident	71.1	Confident	97 Å²	97	74.6 Å²	74.6	60%	0.595	37%	0.37	S	S	*	.			trans	-60.2	115	172.3	44.6	0	0	0	0	110.7	G453 K454	G453-T457 PolarHBondContact O-N 2.83Å; K454-T457 PolarHBondContact O-OG1 3.12Å
458	A	65.6	Low	70.1	Confident	55 Å²	55	84.8 Å²	84.8	46%	0.455	41%	0.405	S	S	.	.			trans	-64.2	135.9	176.3	0	0	0	0	0	110.7	T456	T456-A458 PolarHBondContact O-N 3.49Å
459	P	65.8	Low	69	Low	50 Å²	50	89.5 Å²	89.5	33%	0.325	44%	0.438	S	S	.	.			trans	-62.2	151.6	172.8	27.2	-33.8	0	0	0	110.6	R461 V463 H477	P459-R461 PolarHBondContact O-N 3.25Å; P459-R461 VanDerWaalsContact O-N 3.07Å; P459-R461 VanDerWaalsContact O-O 3.14Å; P459-V463 HydrophobicContact CG-CB 4.44Å; P459-V463 HydrophobicContact CG-CG2 3.77Å; P459-H477 WeakPolarHBondContact CD-ND1 3.37Å
460	S	61.1	Low	68.3	Low	133 Å²	133	91.1 Å²	91.1	93%	0.93	45%	0.445	S	S	*	.	S	Bend	trans	-68.1	-7.4	-177.6	58	0	0	0	0	114.6
461	R	63.2	Low	67.5	Low	195 Å²	195	87.2 Å²	87.2	74%	0.736	44%	0.439	S	S	*	.	S	Bend	trans	-103.3	145.5	171	-65.3	-178.9	178.5	174.2	0.1	109.6	P459 V463	P459-R461 PolarHBondContact O-N 3.25Å; P459-R461 VanDerWaalsContact O-N 3.07Å; P459-R461 VanDerWaalsContact O-O 3.14Å; R461-V463 PolarHBondContact O-N 3.4Å; R461-V463 VanDerWaalsContact O-N 3.07Å
462	K	59.7	Low	66.8	Low	216 Å²	216	86.9 Å²	86.9	94%	0.939	44%	0.438	S	S	*	.			trans	-75.3	97.5	173.4	-69.1	-175.2	178.6	-178.3	0	109.5
463	V	59.7	Low	66.2	Low	5 Å²	5	91.4 Å²	91.4	3%	0.03	46%	0.459	C	S	.	.			trans	-91.8	129.2	179.7	178.1	0	0	0	0	110.2	P459 R461 E470 A474 R475 K478	P459-V463 HydrophobicContact CG-CB 4.44Å; P459-V463 HydrophobicContact CG-CG2 3.77Å; R461-V463 PolarHBondContact O-N 3.4Å; R461-V463 VanDerWaalsContact O-N 3.07Å; V463-E470 HydrophobicContact CG1-CB 4.39Å; V463-E470 WeakPolarHBondContact CG1-OE2 3.41Å; V463-E470 WeakPolarHBondContact CG2-OE2 3.42Å; V463-A474 HydrophobicContact CG1-CB 4.16Å; V463-A474 HydrophobicContact CG2-CB 4.22Å; V463-R475 HydrophobicContact CG1-CG 3.8Å; V463-K478 WeakPolarHBondContact O-CE 3.33Å; V463-K478 PolarHBondContact O-NZ 2.73Å
464	D	61.7	Low	65.7	Low	114 Å²	114	91.5 Å²	91.5	61%	0.61	46%	0.458	S	S	*	.			trans	-87.6	139.8	174.8	-85.3	-33.9	0	0	0	112.9	Y466 D467 R475 K478	D464-Y466 PolarHBondContact O-N 2.95Å; D464-Y466 VanDerWaalsContact O-N 3.17Å; D464-D467 PolarHBondContact O-N 2.89Å; D464-R475 WeakPolarHBondContact O-CD 3.36Å; D464-K478 IonicContact OD1-NZ 2.88Å
465	Y	60.2	Low	65.1	Low	70 Å²	70	86.4 Å²	86.4	28%	0.275	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.9	-171.3	-172.3	-112.1	0	0	0	113.3	V425 R475 K478	V425-Y465 HydrophobicContact CB-CE2 4.01Å; V425-Y465 HydrophobicContact CG1-CE2 4.14Å; V425-Y465 HydrophobicContact CG2-CD2 4.4Å; V425-Y465 HydrophobicContact CG2-CE2 3.71Å; Y465-R475 HydrophobicContact CD2-CB 4.29Å; Y465-R475 WeakPolarHBondContact O-CD 3.1Å; Y465-R475 PolarHBondContact O-NH1 3.2Å; Y465-K478 HydrophobicContact CD2-CB 3.68Å; Y465-K478 HydrophobicContact CD2-CD 4.44Å; Y465-K478 HydrophobicContact CE2-CB 4.2Å; Y465-K478 HydrophobicContact CG-CB 4.45Å
466	Y	60	Low	64.9	Low	196 Å²	196	86.4 Å²	86.4	77%	0.769	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-8.5	-174.2	-57.6	-72.3	0	0	0	113.9	D464 R468	D464-Y466 PolarHBondContact O-N 2.95Å; D464-Y466 VanDerWaalsContact O-N 3.17Å; Y466-R468 PolarHBondContact O-N 3.47Å
467	D	61.9	Low	65	Low	74 Å²	74	86.7 Å²	86.7	40%	0.396	44%	0.435	S	S	.	.			trans	-70.9	104	177.7	-169.9	-22	0	0	0	109.8	D464 S469 R475	D464-D467 PolarHBondContact O-N 2.89Å; D467-S469 VanDerWaalsContact CG-OG 3.3Å; D467-S469 PolarHBondContact O-N 2.97Å; D467-S469 VanDerWaalsContact OD1-CB 3.3Å; D467-S469 WeakPolarHBondContact OD1-CB 3.48Å; D467-S469 PolarHBondContact OD1-N 3.08Å; D467-S469 PolarHBondContact OD1-OG 3.32Å; D467-S469 PolarHBondContact OD2-OG 2.67Å; D467-R475 PolarHBondContact O-NE 3.24Å; D467-R475 PolarHBondContact O-NH2 2.82Å; D467-R475 VanDerWaalsContact O-NH2 3.13Å
468	R	61.2	Low	65.1	Low	231 Å²	231	84.8 Å²	84.8	87%	0.872	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.2	-177.7	-66.3	-173	179.6	-170.1	-0.5	113.5	Y466	Y466-R468 PolarHBondContact O-N 3.47Å
469	S	61.6	Low	65.7	Low	98 Å²	98	82.5 Å²	82.5	69%	0.685	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-30.5	-178.9	71.6	0	0	0	0	113.4	D467	D467-S469 VanDerWaalsContact CG-OG 3.3Å; D467-S469 PolarHBondContact O-N 2.97Å; D467-S469 VanDerWaalsContact OD1-CB 3.3Å; D467-S469 WeakPolarHBondContact OD1-CB 3.48Å; D467-S469 PolarHBondContact OD1-N 3.08Å; D467-S469 PolarHBondContact OD1-OG 3.32Å; D467-S469 PolarHBondContact OD2-OG 2.67Å
470	E	64.7	Low	66.5	Low	60 Å²	60	83.6 Å²	83.6	28%	0.28	40%	0.402	S	S	.	.	S	Bend	trans	-83	143.5	179	-72.7	-148.4	-179.3	0	0	112.5	V463 R475	V463-E470 HydrophobicContact CG1-CB 4.39Å; V463-E470 WeakPolarHBondContact CG1-OE2 3.41Å; V463-E470 WeakPolarHBondContact CG2-OE2 3.42Å; E470-R475 PolarHBondContact O-NE 3.04Å; E470-R475 PolarHBondContact O-NH2 3.47Å
471	P	66.6	Low	67.4	Low	70 Å²	70	83.3 Å²	83.3	46%	0.455	38%	0.381	S	S	.	.			trans	-60.8	141.8	-178.7	26	-35	0	0	0	111.5	Q473 A474	P471-Q473 PolarHBondContact O-N 3.32Å; P471-Q473 VanDerWaalsContact O-N 3.08Å; P471-A474 HydrophobicContact CG-CB 4.38Å; P471-A474 WeakPolarHBondContact O-CB 3.42Å; P471-A474 PolarHBondContact O-N 3.46Å
472	V	66.4	Low	68.4	Low	5 Å²	5	74 Å²	74	3%	0.03	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-28.5	-176.9	150.3	0	0	0	0	113.3	F422 V425 L428 A474 R475 L476	F422-V472 WeakPolarHBondContact O-CB 3.24Å; F422-V472 WeakPolarHBondContact O-CG2 3.27Å; V425-V472 HydrophobicContact CB-CG1 4.29Å; V425-V472 HydrophobicContact CG1-CG1 4.46Å; V425-V472 HydrophobicContact CG2-CG1 4.14Å; V425-V472 HydrophobicContact CG2-CG2 4.09Å; L428-V472 HydrophobicContact CB-CG1 3.8Å; L428-V472 HydrophobicContact CD2-CG1 3.82Å; L428-V472 HydrophobicContact CG-CG1 4.47Å; V472-A474 VanDerWaalsContact C-N 3.28Å; V472-A474 PolarHBondContact O-N 2.91Å; V472-R475 CarbonylContact O-C 3.59Å; V472-R475 PolarHBondContact O-N 2.9Å; V472-L476 PolarHBondContact O-N 3.22Å
473	Q	68.8	Low	69.7	Low	95 Å²	95	63.8 Å²	63.8	44%	0.444	30%	0.301	S	S	.	.	H	α-helix	trans	-49.4	-45.5	168.6	-66.9	165.6	-11	0	0	112.7	T418 L428 P471 R475 L476	T418-Q473 PolarHBondContact O-NE2 3.3Å; L428-Q473 HydrophobicContact CD2-CB 4.29Å; L428-Q473 HydrophobicContact CD2-CG 3.85Å; P471-Q473 PolarHBondContact O-N 3.32Å; P471-Q473 VanDerWaalsContact O-N 3.08Å; Q473-R475 PolarHBondContact O-N 2.7Å; Q473-L476 WeakPolarHBondContact O-CB 3.1Å; Q473-L476 PolarHBondContact O-N 3.3Å
474	A	69.8	Low	70.9	Confident	19 Å²	19	65.1 Å²	65.1	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-68.9	-24.7	-178.9	0	0	0	0	0	112.6	V463 P471 V472 H477	V463-A474 HydrophobicContact CG1-CB 4.16Å; V463-A474 HydrophobicContact CG2-CB 4.22Å; P471-A474 HydrophobicContact CG-CB 4.38Å; P471-A474 WeakPolarHBondContact O-CB 3.42Å; P471-A474 PolarHBondContact O-N 3.46Å; V472-A474 VanDerWaalsContact C-N 3.28Å; V472-A474 PolarHBondContact O-N 2.91Å; A474-H477 PolarHBondContact O-CE1 3.16Å; A474-H477 PolarHBondContact O-ND1 2.75Å
475	R	69.2	Low	72	Confident	20 Å²	20	61.3 Å²	61.3	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-90.9	-11.5	178.7	-59.2	-171.3	-112.2	153.4	2.1	113.6	V425 V463 D464 Y465 D467 E470 V472 Q473 H477 K478	V425-R475 HydrophobicContact CG2-CB 3.92Å; V463-R475 HydrophobicContact CG1-CG 3.8Å; D464-R475 WeakPolarHBondContact O-CD 3.36Å; Y465-R475 HydrophobicContact CD2-CB 4.29Å; Y465-R475 WeakPolarHBondContact O-CD 3.1Å; Y465-R475 PolarHBondContact O-NH1 3.2Å; D467-R475 PolarHBondContact O-NE 3.24Å; D467-R475 PolarHBondContact O-NH2 2.82Å; D467-R475 VanDerWaalsContact O-NH2 3.13Å; E470-R475 PolarHBondContact O-NE 3.04Å; E470-R475 PolarHBondContact O-NH2 3.47Å; V472-R475 CarbonylContact O-C 3.59Å; V472-R475 PolarHBondContact O-N 2.9Å; Q473-R475 PolarHBondContact O-N 2.7Å; R475-H477 VanDerWaalsContact C-N 3.26Å; R475-H477 PolarHBondContact O-N 3.24Å; R475-K478 PolarHBondContact O-N 3.32Å
476	L	72.4	Confident	73.2	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.037	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-56.2	-38	-175	-169.1	65.9	0	0	0	113.4	V425 L428 A429 W432 A455 V472 Q473 K478 S479 L482	V425-L476 HydrophobicContact CG1-CD1 4.06Å; L428-L476 HydrophobicContact CB-CD1 4.07Å; L428-L476 HydrophobicContact CD2-CB 4.41Å; L428-L476 HydrophobicContact CD2-CD1 3.98Å; L428-L476 HydrophobicContact CD2-CD2 4.02Å; L428-L476 HydrophobicContact CD2-CG 4.37Å; L428-L476 HydrophobicContact CG-CD1 3.79Å; L428-L476 HydrophobicContact CG-CD2 4.14Å; A429-L476 HydrophobicContact CB-CD1 4.27Å; W432-L476 VanDerWaalsContact CD1-CD2 3.46Å; W432-L476 HydrophobicContact CG-CD2 4.28Å; W432-L476 VanDerWaalsContact NE1-CD2 3.31Å; A455-L476 HydrophobicContact CB-CD2 4.03Å; V472-L476 PolarHBondContact O-N 3.22Å; Q473-L476 WeakPolarHBondContact O-CB 3.1Å; Q473-L476 PolarHBondContact O-N 3.3Å; L476-K478 PolarHBondContact O-N 2.87Å; L476-S479 WeakPolarHBondContact O-CB 3.25Å; L476-S479 PolarHBondContact O-N 3.14Å; L476-S479 PolarHBondContact O-OG 3.2Å; L476-L482 HydrophobicContact CD1-CD1 3.47Å; L476-L482 VanDerWaalsContact CD1-CD1 3.47Å; L476-L482 HydrophobicContact CD2-CD1 3.96Å; L476-L482 HydrophobicContact CG-CD1 3.59Å
477	H	71.4	Confident	74.3	Confident	11 Å²	11	49.2 Å²	49.2	5%	0.051	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.3	-8.6	177.3	78.7	-84.2	0	0	0	114.5	P459 A474 R475 W483 I511	P459-H477 WeakPolarHBondContact CD-ND1 3.37Å; A474-H477 PolarHBondContact O-CE1 3.16Å; A474-H477 PolarHBondContact O-ND1 2.75Å; R475-H477 VanDerWaalsContact C-N 3.26Å; R475-H477 PolarHBondContact O-N 3.24Å; H477-W483 PolarHBondContact O-NE1 2.58Å; H477-I511 VanDerWaalsContact O-CD1 3.25Å; H477-I511 WeakPolarHBondContact O-CD1 3.01Å
478	K	75	Confident	75.4	Confident	56 Å²	56	49.6 Å²	49.6	24%	0.243	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-100.2	0.1	173.7	-71.2	179.7	174.7	175.5	0	114.1	V463 D464 Y465 R475 L476 L480	V463-K478 WeakPolarHBondContact O-CE 3.33Å; V463-K478 PolarHBondContact O-NZ 2.73Å; D464-K478 IonicContact OD1-NZ 2.88Å; Y465-K478 HydrophobicContact CD2-CB 3.68Å; Y465-K478 HydrophobicContact CD2-CD 4.44Å; Y465-K478 HydrophobicContact CE2-CB 4.2Å; Y465-K478 HydrophobicContact CG-CB 4.45Å; R475-K478 PolarHBondContact O-N 3.32Å; L476-K478 PolarHBondContact O-N 2.87Å; K478-L480 PolarHBondContact O-N 3.26Å
479	S	79.1	Confident	76.5	Confident	8 Å²	8	39.2 Å²	39.2	6%	0.056	21%	0.207	C	C	.	.			trans	-79.4	111.9	-178.3	64.4	0	0	0	0	112.3	L476 R481 L482 W483	L476-S479 WeakPolarHBondContact O-CB 3.25Å; L476-S479 PolarHBondContact O-N 3.14Å; L476-S479 PolarHBondContact O-OG 3.2Å; S479-R481 PolarHBondContact O-N 3.47Å; S479-R481 VanDerWaalsContact O-N 3.15Å; S479-L482 PolarHBondContact O-N 2.94Å; S479-W483 PolarHBondContact O-N 2.78Å
480	L	81.8	Confident	77.5	Confident	73 Å²	73	35 Å²	35	38%	0.382	18%	0.176	S	C	.	.	H	α-helix	trans	-53.7	-34.6	-179.6	175.9	62.7	0	0	0	113.3	K478 W483 S484 I511 T513 I516	K478-L480 PolarHBondContact O-N 3.26Å; L480-W483 PolarHBondContact O-N 2.86Å; L480-S484 PolarHBondContact O-N 2.94Å; L480-I511 HydrophobicContact CB-CG2 3.93Å; L480-I511 HydrophobicContact CD1-CG2 4.02Å; L480-T513 HydrophobicContact CD1-CG2 4.11Å; L480-T513 HydrophobicContact CD2-CG2 3.89Å; L480-I516 HydrophobicContact CD1-CD1 3.5Å; L480-I516 VanDerWaalsContact CD1-CD1 3.5Å
481	R	81.8	Confident	78.4	Confident	126 Å²	126	35.2 Å²	35.2	48%	0.475	18%	0.177	S	C	.	.	H	α-helix	trans	-76	-31.6	-174.5	-159.2	-176.4	75.6	126.4	4.6	114.3	A429 C433 S479 S484 L485	A429-R481 PolarHBondContact O-NH2 3.49Å; C433-R481 VanDerWaalsContact SG-CZ 3.52Å; C433-R481 PolarHBondContact SG-NH2 3.46Å; S479-R481 PolarHBondContact O-N 3.47Å; S479-R481 VanDerWaalsContact O-N 3.15Å; R481-S484 PolarHBondContact O-OG 3.23Å; R481-L485 PolarHBondContact O-N 2.91Å
482	L	84.2	Confident	79.1	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-72.2	-38.2	169.9	-71.7	-178.9	0	0	0	110.6	A429 W432 C433 L452 A455 L476 S479 Y486	A429-L482 HydrophobicContact CB-CD1 4.13Å; A429-L482 HydrophobicContact CB-CD2 4.44Å; A429-L482 HydrophobicContact CB-CG 3.92Å; W432-L482 HydrophobicContact CB-CD1 4Å; W432-L482 HydrophobicContact CB-CD2 3.53Å; W432-L482 HydrophobicContact CB-CG 4.44Å; W432-L482 HydrophobicContact CG-CD1 4.39Å; C433-L482 VanDerWaalsContact SG-CD2 3.59Å; L452-L482 HydrophobicContact CD2-CD2 3.94Å; A455-L482 HydrophobicContact CB-CD1 4.31Å; L476-L482 HydrophobicContact CD1-CD1 3.47Å; L476-L482 VanDerWaalsContact CD1-CD1 3.47Å; L476-L482 HydrophobicContact CD2-CD1 3.96Å; L476-L482 HydrophobicContact CG-CD1 3.59Å; S479-L482 PolarHBondContact O-N 2.94Å; L482-Y486 WeakPolarHBondContact O-CB 3.36Å; L482-Y486 PolarHBondContact O-N 3.29Å
483	W	87	Confident	79.6	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-43.7	175	-85.3	112.1	0	0	0	112.7	T456 H477 S479 L480 Y486 T487 A502 R505 M506 L509	T456-W483 HydrophobicContact CG2-CD2 3.99Å; T456-W483 HydrophobicContact CG2-CE3 4.19Å; T456-W483 HydrophobicContact CG2-CH2 4.19Å; T456-W483 HydrophobicContact CG2-CZ2 3.97Å; T456-W483 HydrophobicContact CG2-CZ3 4.3Å; H477-W483 PolarHBondContact O-NE1 2.58Å; S479-W483 PolarHBondContact O-N 2.78Å; L480-W483 PolarHBondContact O-N 2.86Å; W483-Y486 AromaticContact CE3-CD1 3.83Å; W483-Y486 HydrophobicContact CE3-CD1 3.83Å; W483-Y486 AromaticContact CZ3-CD1 3.67Å; W483-Y486 HydrophobicContact CZ3-CD1 3.67Å; W483-Y486 AromaticContact CZ3-CE1 3.9Å; W483-Y486 HydrophobicContact CZ3-CE1 3.9Å; W483-Y486 PolarHBondContact O-N 2.91Å; W483-T487 PolarHBondContact O-N 3.08Å; W483-T487 PolarHBondContact O-OG1 3.13Å; W483-T487 VanDerWaalsContact O-OG1 3.11Å; W483-A502 HydrophobicContact CZ3-CB 4.44Å; W483-A502 WeakPolarHBondContact CZ3-O 3.39Å; W483-R505 HydrophobicContact CH2-CB 3.58Å; W483-R505 HydrophobicContact CH2-CG 4.43Å; W483-R505 HydrophobicContact CZ2-CB 4.34Å; W483-R505 HydrophobicContact CZ3-CB 4.13Å; W483-M506 HydrophobicContact CB-CE 3.85Å; W483-M506 HydrophobicContact CB-CG 4.05Å; W483-M506 HydrophobicContact CB-SD 3.74Å; W483-M506 HydrophobicContact CD2-CG 3.6Å; W483-M506 HydrophobicContact CD2-SD 4.45Å; W483-M506 HydrophobicContact CE3-CE 3.96Å; W483-M506 HydrophobicContact CE3-CG 3.41Å; W483-M506 VanDerWaalsContact CE3-CG 3.41Å; W483-M506 HydrophobicContact CE3-SD 4.35Å; W483-M506 HydrophobicContact CG-CG 3.9Å; W483-M506 HydrophobicContact CG-SD 4.25Å; W483-M506 HydrophobicContact CZ3-CG 4.08Å; W483-M506 VanDerWaalsContact O-CE 3.23Å; W483-M506 WeakPolarHBondContact O-CE 3.48Å; W483-L509 HydrophobicContact CZ2-CD1 3.55Å
484	S	84.8	Confident	79.9	Confident	33 Å²	33	37 Å²	37	23%	0.231	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-52.2	176.3	66.6	0	0	0	0	111.3	L480 R481 Y486 T487 D488	L480-S484 PolarHBondContact O-N 2.94Å; R481-S484 PolarHBondContact O-OG 3.23Å; S484-Y486 PolarHBondContact O-N 2.88Å; S484-T487 PolarHBondContact O-N 2.75Å; S484-T487 PolarHBondContact O-OG1 3.03Å; S484-D488 PolarHBondContact O-N 3.09Å; S484-D488 VanDerWaalsContact O-OD1 3.13Å
485	L	84.3	Confident	80.3	Confident	33 Å²	33	40 Å²	40	17%	0.173	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-35.4	177.1	-178.6	63.3	0	0	0	112.1	C433 A436 L452 R481 D488 L489	C433-L485 HydrophobicContact CB-CD2 3.95Å; A436-L485 HydrophobicContact CB-CD2 4.03Å; L452-L485 HydrophobicContact CD1-CB 4.47Å; L452-L485 HydrophobicContact CD1-CD2 4.18Å; L452-L485 HydrophobicContact CD1-CG 3.95Å; R481-L485 PolarHBondContact O-N 2.91Å; L485-D488 PolarHBondContact O-N 2.63Å; L485-L489 HydrophobicContact CD1-CD1 4.28Å; L485-L489 HydrophobicContact CD1-CG 4.27Å; L485-L489 HydrophobicContact CG-CD1 4.29Å; L485-L489 WeakPolarHBondContact O-CB 3.23Å; L485-L489 WeakPolarHBondContact O-CG 3.39Å; L485-L489 PolarHBondContact O-N 3.07Å
486	Y	84.7	Confident	80.8	Confident	11 Å²	11	41.6 Å²	41.6	4%	0.043	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-39.7	176.2	-178.6	-132.2	0	0	0	112.1	L449 L452 T456 L482 W483 S484 E490 A502	L449-Y486 HydrophobicContact CD2-CD2 4.2Å; L449-Y486 HydrophobicContact CD2-CE2 4.04Å; L452-Y486 HydrophobicContact CB-CD2 3.66Å; L452-Y486 HydrophobicContact CB-CE2 4.48Å; L452-Y486 HydrophobicContact CB-CG 4.06Å; L452-Y486 HydrophobicContact CD1-CD2 4.39Å; T456-Y486 HydrophobicContact CG2-CD1 4.08Å; L482-Y486 WeakPolarHBondContact O-CB 3.36Å; L482-Y486 PolarHBondContact O-N 3.29Å; W483-Y486 AromaticContact CE3-CD1 3.83Å; W483-Y486 HydrophobicContact CE3-CD1 3.83Å; W483-Y486 AromaticContact CZ3-CD1 3.67Å; W483-Y486 HydrophobicContact CZ3-CD1 3.67Å; W483-Y486 AromaticContact CZ3-CE1 3.9Å; W483-Y486 HydrophobicContact CZ3-CE1 3.9Å; W483-Y486 PolarHBondContact O-N 2.91Å; S484-Y486 PolarHBondContact O-N 2.88Å; Y486-E490 HydrophobicContact CD2-CG 3.93Å; Y486-E490 HydrophobicContact CE1-CG 4.44Å; Y486-E490 HydrophobicContact CE2-CG 3.45Å; Y486-E490 VanDerWaalsContact CE2-CG 3.45Å; Y486-E490 WeakPolarHBondContact CE2-OE1 3.13Å; Y486-E490 WeakPolarHBondContact O-CB 3.22Å; Y486-E490 VanDerWaalsContact O-CG 3.25Å; Y486-E490 WeakPolarHBondContact O-CG 3.38Å; Y486-E490 PolarHBondContact O-N 2.97Å; Y486-E490 PolarHBondContact OH-OE1 3.05Å; Y486-A502 HydrophobicContact CD1-CB 4.12Å; Y486-A502 HydrophobicContact CE1-CB 3.59Å
487	T	83.2	Confident	81.3	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-69.7	-40	170.3	37.1	0	0	0	0	113.3	W483 S484 L489 E490 E491 A502 Y503 M506	W483-T487 PolarHBondContact O-N 3.08Å; W483-T487 PolarHBondContact O-OG1 3.13Å; W483-T487 VanDerWaalsContact O-OG1 3.11Å; S484-T487 PolarHBondContact O-N 2.75Å; S484-T487 PolarHBondContact O-OG1 3.03Å; T487-L489 PolarHBondContact O-N 3.23Å; T487-E490 PolarHBondContact O-N 3.28Å; T487-E490 VanDerWaalsContact O-N 3.16Å; T487-E491 WeakPolarHBondContact O-CB 3.4Å; T487-E491 WeakPolarHBondContact O-CG 3.38Å; T487-E491 PolarHBondContact O-N 3.03Å; T487-A502 HydrophobicContact CG2-CB 4.37Å; T487-Y503 HydrophobicContact CG2-CD1 3.83Å; T487-Y503 HydrophobicContact CG2-CD2 3.99Å; T487-Y503 HydrophobicContact CG2-CE1 3.54Å; T487-Y503 HydrophobicContact CG2-CE2 3.7Å; T487-Y503 HydrophobicContact CG2-CG 4.04Å; T487-Y503 VanDerWaalsContact CG2-CZ 3.44Å; T487-M506 HydrophobicContact CG2-CE 3.21Å; T487-M506 WeakPolarHBondContact OG1-CE 3.15Å
488	D	85.6	Confident	81.9	Confident	81 Å²	81	50.8 Å²	50.8	43%	0.433	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-32.3	-179.6	-54.1	-22.2	0	0	0	110.6	S484 L485 S492	S484-D488 PolarHBondContact O-N 3.09Å; S484-D488 VanDerWaalsContact O-OD1 3.13Å; L485-D488 PolarHBondContact O-N 2.63Å; D488-S492 PolarHBondContact O-OG 3.21Å
489	L	83.2	Confident	82.2	Confident	14 Å²	14	48.2 Å²	48.2	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-82	-35.1	172.7	-67.5	-178.7	0	0	0	114.1	M440 A448 L449 L452 L485 T487 S492 F493	M440-L489 HydrophobicContact CE-CD2 3.91Å; M440-L489 HydrophobicContact CG-CD1 4.12Å; M440-L489 HydrophobicContact CG-CD2 3.97Å; M440-L489 HydrophobicContact SD-CD1 4.32Å; M440-L489 HydrophobicContact SD-CD2 3.62Å; A448-L489 HydrophobicContact CB-CD1 4.06Å; L449-L489 HydrophobicContact CD2-CB 3.76Å; L452-L489 HydrophobicContact CD1-CD1 3.89Å; L485-L489 HydrophobicContact CD1-CD1 4.28Å; L485-L489 HydrophobicContact CD1-CG 4.27Å; L485-L489 HydrophobicContact CG-CD1 4.29Å; L485-L489 WeakPolarHBondContact O-CB 3.23Å; L485-L489 WeakPolarHBondContact O-CG 3.39Å; L485-L489 PolarHBondContact O-N 3.07Å; T487-L489 PolarHBondContact O-N 3.23Å; L489-S492 WeakPolarHBondContact CA-OG 3.36Å; L489-S492 PolarHBondContact O-N 3.13Å; L489-S492 PolarHBondContact O-OG 2.8Å; L489-F493 HydrophobicContact CD2-CD2 4.31Å; L489-F493 HydrophobicContact CD2-CE2 4.25Å; L489-F493 PolarHBondContact O-N 2.88Å
490	E	83.4	Confident	82.5	Confident	9 Å²	9	50.4 Å²	50.4	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-68.5	-39.3	172.6	-74.8	-82	179	0	0	111	L449 Y486 T487 S492 G494 T498 T499 A502	L449-E490 HydrophobicContact CD2-CG 3.77Å; Y486-E490 HydrophobicContact CD2-CG 3.93Å; Y486-E490 HydrophobicContact CE1-CG 4.44Å; Y486-E490 HydrophobicContact CE2-CG 3.45Å; Y486-E490 VanDerWaalsContact CE2-CG 3.45Å; Y486-E490 WeakPolarHBondContact CE2-OE1 3.13Å; Y486-E490 WeakPolarHBondContact O-CB 3.22Å; Y486-E490 VanDerWaalsContact O-CG 3.25Å; Y486-E490 WeakPolarHBondContact O-CG 3.38Å; Y486-E490 PolarHBondContact O-N 2.97Å; Y486-E490 PolarHBondContact OH-OE1 3.05Å; T487-E490 PolarHBondContact O-N 3.28Å; T487-E490 VanDerWaalsContact O-N 3.16Å; E490-S492 PolarHBondContact O-N 2.76Å; E490-G494 WeakPolarHBondContact O-CA 3.18Å; E490-G494 PolarHBondContact O-N 3.43Å; E490-G494 WeakPolarHBondContact OE2-CA 3.09Å; E490-T498 WeakPolarHBondContact OE2-CB 3.04Å; E490-T498 PolarHBondContact OE2-OG1 3.33Å; E490-T499 HydrophobicContact CB-CG2 3.73Å; E490-T499 WeakPolarHBondContact O-CG2 3.41Å; E490-A502 HydrophobicContact CG-CB 4.42Å
491	E	83.3	Confident	82.6	Confident	65 Å²	65	48.6 Å²	48.6	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-27.9	176.3	-75	-168.8	137.8	0	0	112.3	T487 Y503 F523	T487-E491 WeakPolarHBondContact O-CB 3.4Å; T487-E491 WeakPolarHBondContact O-CG 3.38Å; T487-E491 PolarHBondContact O-N 3.03Å; E491-Y503 HydrophobicContact CG-CE2 4.11Å; E491-Y503 PolarHBondContact OE1-OH 3.32Å; E491-F523 HydrophobicContact CB-CD2 4.46Å; E491-F523 HydrophobicContact CG-CD2 3.95Å; E491-F523 HydrophobicContact CG-CE2 4.3Å
492	S	80.8	Confident	82.7	Confident	71 Å²	71	42.6 Å²	42.6	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-97.8	-29	-177.9	49.3	0	0	0	0	115.1	D488 L489 E490	D488-S492 PolarHBondContact O-OG 3.21Å; L489-S492 WeakPolarHBondContact CA-OG 3.36Å; L489-S492 PolarHBondContact O-N 3.13Å; L489-S492 PolarHBondContact O-OG 2.8Å; E490-S492 PolarHBondContact O-N 2.76Å
493	F	77.9	Confident	82.7	Confident	108 Å²	108	42.7 Å²	42.7	47%	0.474	23%	0.234	S	C	.	.	H	α-helix	trans	-131.7	-9.3	-177.5	-58.5	-83.2	0	0	0	114.8	M440 P445 L449 L489	M440-F493 HydrophobicContact CE-CD2 4.4Å; M440-F493 HydrophobicContact CE-CE2 3.48Å; M440-F493 VanDerWaalsContact CE-CE2 3.48Å; M440-F493 HydrophobicContact CE-CZ 3.74Å; M440-F493 HydrophobicContact SD-CE2 4.25Å; P445-F493 HydrophobicContact CB-CB 4.15Å; P445-F493 HydrophobicContact CB-CD1 3.65Å; P445-F493 HydrophobicContact CB-CD2 3.83Å; P445-F493 HydrophobicContact CB-CE1 3.94Å; P445-F493 HydrophobicContact CB-CE2 4.14Å; P445-F493 HydrophobicContact CB-CG 3.59Å; P445-F493 HydrophobicContact CB-CZ 4.18Å; P445-F493 HydrophobicContact CG-CD1 3.68Å; P445-F493 HydrophobicContact CG-CE1 3.88Å; P445-F493 HydrophobicContact CG-CG 4.14Å; L449-F493 HydrophobicContact CD1-CB 4.08Å; L489-F493 HydrophobicContact CD2-CD2 4.31Å; L489-F493 HydrophobicContact CD2-CE2 4.25Å; L489-F493 PolarHBondContact O-N 2.88Å
494	G	75.3	Confident	82.6	Confident	28 Å²	28	44.6 Å²	44.6	29%	0.289	25%	0.245	S	C	.	.	S	Bend	trans	-79.5	172.5	-175.4	0	0	0	0	0	114	E490	E490-G494 WeakPolarHBondContact O-CA 3.18Å; E490-G494 PolarHBondContact O-N 3.43Å; E490-G494 WeakPolarHBondContact OE2-CA 3.09Å
495	T	78.7	Confident	82.4	Confident	83 Å²	83	48.4 Å²	48.4	51%	0.509	25%	0.254	S	S	.	.			trans	-91.2	155.9	170.7	68.8	0	0	0	0	110.2	E497 T498 T499	T495-E497 PolarHBondContact O-N 2.98Å; T495-E497 VanDerWaalsContact O-N 3.09Å; T495-T498 PolarHBondContact N-OG1 3.41Å; T495-T498 PolarHBondContact O-N 2.9Å; T495-T498 PolarHBondContact O-OG1 3.05Å; T495-T498 VanDerWaalsContact O-OG1 3.08Å; T495-T498 WeakPolarHBondContact OG1-CG2 3.46Å; T495-T498 PolarHBondContact OG1-N 3.11Å; T495-T498 VanDerWaalsContact OG1-N 3.13Å; T495-T498 PolarHBondContact OG1-OG1 2.84Å; T495-T499 WeakPolarHBondContact O-CG2 3.37Å; T495-T499 PolarHBondContact O-N 3.15Å; T495-T499 PolarHBondContact O-OG1 3.39Å
496	F	78.8	Confident	82.4	Confident	52 Å²	52	46.9 Å²	46.9	23%	0.228	25%	0.246	C	C	.	.	H	α-helix	trans	-53.2	-31.4	174.3	174.6	-110.9	0	0	0	113.8	T499 K500 F523 L524 L527 Y529	F496-T499 WeakPolarHBondContact CA-OG1 3.23Å; F496-T499 PolarHBondContact O-OG1 3.14Å; F496-K500 HydrophobicContact CZ-CD 4.35Å; F496-K500 WeakPolarHBondContact O-CB 3.39Å; F496-K500 PolarHBondContact O-N 3.16Å; F496-F523 HydrophobicContact CD2-CE1 4.12Å; F496-L524 HydrophobicContact CE2-CD2 3.62Å; F496-L524 HydrophobicContact CZ-CD2 4.16Å; F496-L527 HydrophobicContact CD2-CD1 3.52Å; F496-L527 HydrophobicContact CE2-CD1 4.16Å; F496-L527 HydrophobicContact CG-CD1 4.43Å; F496-Y529 HydrophobicContact CD1-CE2 4.21Å; F496-Y529 HydrophobicContact CD2-CD2 4.22Å; F496-Y529 HydrophobicContact CD2-CE2 4.26Å; F496-Y529 HydrophobicContact CE1-CD1 4.31Å; F496-Y529 AromaticContact CE1-CD2 3.99Å; F496-Y529 HydrophobicContact CE1-CD2 3.99Å; F496-Y529 HydrophobicContact CE1-CE1 4.07Å; F496-Y529 AromaticContact CE1-CE2 3.74Å; F496-Y529 HydrophobicContact CE1-CE2 3.74Å; F496-Y529 HydrophobicContact CE1-CG 4.27Å; F496-Y529 AromaticContact CE1-CZ 3.78Å; F496-Y529 AromaticContact CE2-CD2 3.38Å; F496-Y529 HydrophobicContact CE2-CD2 3.38Å; F496-Y529 AromaticContact CE2-CE2 3.77Å; F496-Y529 HydrophobicContact CE2-CE2 3.77Å; F496-Y529 AromaticContact CE2-CG 3.92Å; F496-Y529 HydrophobicContact CE2-CG 3.92Å; F496-Y529 HydrophobicContact CG-CE2 4.45Å; F496-Y529 AromaticContact CZ-CD1 3.84Å; F496-Y529 HydrophobicContact CZ-CD1 3.84Å; F496-Y529 AromaticContact CZ-CD2 3.25Å; F496-Y529 HydrophobicContact CZ-CD2 3.25Å; F496-Y529 HydrophobicContact CZ-CE1 4.05Å; F496-Y529 AromaticContact CZ-CE2 3.49Å; F496-Y529 HydrophobicContact CZ-CE2 3.49Å; F496-Y529 VanDerWaalsContact CZ-CE2 3.49Å; F496-Y529 AromaticContact CZ-CG 3.44Å; F496-Y529 HydrophobicContact CZ-CG 3.44Å; F496-Y529 VanDerWaalsContact CZ-CG 3.44Å; F496-Y529 AromaticContact CZ-CZ 3.89Å
497	E	83.1	Confident	82.3	Confident	158 Å²	158	46.9 Å²	46.9	74%	0.738	25%	0.247	S	C	*	.	H	α-helix	trans	-79.3	-35.9	178.1	-61.7	-170.8	173	0	0	112.1	T495 A501	T495-E497 PolarHBondContact O-N 2.98Å; T495-E497 VanDerWaalsContact O-N 3.09Å; E497-A501 WeakPolarHBondContact O-CB 3.5Å; E497-A501 PolarHBondContact O-N 3.35Å
498	T	83.6	Confident	82.4	Confident	54 Å²	54	52.8 Å²	52.8	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-75.9	-40.7	178.1	54.7	0	0	0	0	112.5	E490 T495 A501 A502	E490-T498 WeakPolarHBondContact OE2-CB 3.04Å; E490-T498 PolarHBondContact OE2-OG1 3.33Å; T495-T498 PolarHBondContact N-OG1 3.41Å; T495-T498 PolarHBondContact O-N 2.9Å; T495-T498 PolarHBondContact O-OG1 3.05Å; T495-T498 VanDerWaalsContact O-OG1 3.08Å; T495-T498 WeakPolarHBondContact OG1-CG2 3.46Å; T495-T498 PolarHBondContact OG1-N 3.11Å; T495-T498 VanDerWaalsContact OG1-N 3.13Å; T495-T498 PolarHBondContact OG1-OG1 2.84Å; T498-A501 PolarHBondContact O-N 2.93Å; T498-A502 WeakPolarHBondContact O-CB 3.36Å; T498-A502 PolarHBondContact O-N 3.31Å
499	T	82.7	Confident	82.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-50.6	172.7	54.9	0	0	0	0	111.3	E490 T495 F496 A501 A502 Y503 F523	E490-T499 HydrophobicContact CB-CG2 3.73Å; E490-T499 WeakPolarHBondContact O-CG2 3.41Å; T495-T499 WeakPolarHBondContact O-CG2 3.37Å; T495-T499 PolarHBondContact O-N 3.15Å; T495-T499 PolarHBondContact O-OG1 3.39Å; F496-T499 WeakPolarHBondContact CA-OG1 3.23Å; F496-T499 PolarHBondContact O-OG1 3.14Å; T499-A501 VanDerWaalsContact C-N 3.33Å; T499-A501 PolarHBondContact O-N 3.02Å; T499-A502 WeakPolarHBondContact O-CB 3.12Å; T499-A502 PolarHBondContact O-N 3.36Å; T499-A502 VanDerWaalsContact O-N 3.13Å; T499-Y503 WeakPolarHBondContact O-CD2 3.46Å; T499-Y503 PolarHBondContact O-N 2.83Å; T499-F523 HydrophobicContact CG2-CE1 4.26Å; T499-F523 HydrophobicContact CG2-CE2 4.19Å; T499-F523 HydrophobicContact CG2-CZ 3.67Å; T499-F523 WeakPolarHBondContact OG1-CE1 3.37Å; T499-F523 WeakPolarHBondContact OG1-CZ 3.45Å
500	K	83.5	Confident	82	Confident	55 Å²	55	60.2 Å²	60.2	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-41.3	178.5	-170.6	-175.3	-174.6	-178.8	0	111.6	F496 D504 Y520 D532	F496-K500 HydrophobicContact CZ-CD 4.35Å; F496-K500 WeakPolarHBondContact O-CB 3.39Å; F496-K500 PolarHBondContact O-N 3.16Å; K500-D504 WeakPolarHBondContact O-CB 3.16Å; K500-D504 PolarHBondContact O-N 3.31Å; K500-Y520 HydrophobicContact CG-CE2 4.21Å; K500-Y520 WeakPolarHBondContact CG-OH 3.43Å; K500-D532 IonicContact NZ-OD2 2.94Å; K500-D532 PolarHBondContact NZ-OD2 3.33Å
501	A	85.2	Confident	81.7	Confident	35 Å²	35	61 Å²	61	29%	0.289	31%	0.307	S	S	.	.	H	α-helix	trans	-67.2	-35	174.7	0	0	0	0	0	112.9	E497 T498 T499 R505	E497-A501 WeakPolarHBondContact O-CB 3.5Å; E497-A501 PolarHBondContact O-N 3.35Å; T498-A501 PolarHBondContact O-N 2.93Å; T499-A501 VanDerWaalsContact C-N 3.33Å; T499-A501 PolarHBondContact O-N 3.02Å; A501-R505 WeakPolarHBondContact O-CB 3.2Å; A501-R505 WeakPolarHBondContact O-CD 3.4Å; A501-R505 WeakPolarHBondContact O-CG 3.46Å; A501-R505 PolarHBondContact O-N 3.41Å
502	A	83.6	Confident	81.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-47	175.4	0	0	0	0	0	111.5	W483 Y486 T487 E490 T498 T499 R505 M506	W483-A502 HydrophobicContact CZ3-CB 4.44Å; W483-A502 WeakPolarHBondContact CZ3-O 3.39Å; Y486-A502 HydrophobicContact CD1-CB 4.12Å; Y486-A502 HydrophobicContact CE1-CB 3.59Å; T487-A502 HydrophobicContact CG2-CB 4.37Å; E490-A502 HydrophobicContact CG-CB 4.42Å; T498-A502 WeakPolarHBondContact O-CB 3.36Å; T498-A502 PolarHBondContact O-N 3.31Å; T499-A502 WeakPolarHBondContact O-CB 3.12Å; T499-A502 PolarHBondContact O-N 3.36Å; T499-A502 VanDerWaalsContact O-N 3.13Å; A502-R505 PolarHBondContact O-N 2.97Å; A502-M506 PolarHBondContact O-N 3.13Å; A502-M506 VanDerWaalsContact O-N 3.13Å
503	Y	84.6	Confident	81.4	Confident	2 Å²	2	57 Å²	57	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-44.9	175.8	-82.3	-65.6	0	0	0	113.1	T487 E491 T499 R505 M506 I507 I516 Y520	T487-Y503 HydrophobicContact CG2-CD1 3.83Å; T487-Y503 HydrophobicContact CG2-CD2 3.99Å; T487-Y503 HydrophobicContact CG2-CE1 3.54Å; T487-Y503 HydrophobicContact CG2-CE2 3.7Å; T487-Y503 HydrophobicContact CG2-CG 4.04Å; T487-Y503 VanDerWaalsContact CG2-CZ 3.44Å; E491-Y503 HydrophobicContact CG-CE2 4.11Å; E491-Y503 PolarHBondContact OE1-OH 3.32Å; T499-Y503 WeakPolarHBondContact O-CD2 3.46Å; T499-Y503 PolarHBondContact O-N 2.83Å; Y503-R505 VanDerWaalsContact C-N 3.3Å; Y503-R505 PolarHBondContact O-N 3.04Å; Y503-M506 HydrophobicContact CD1-CE 4.48Å; Y503-M506 PolarHBondContact O-N 2.94Å; Y503-M506 VanDerWaalsContact O-N 3.17Å; Y503-I507 WeakPolarHBondContact O-CG1 3.35Å; Y503-I507 PolarHBondContact O-N 3.13Å; Y503-I507 VanDerWaalsContact O-N 3.14Å; Y503-I516 HydrophobicContact CD1-CG2 3.96Å; Y503-I516 HydrophobicContact CE1-CG2 3.84Å; Y503-I516 WeakPolarHBondContact CE1-O 3.16Å; Y503-Y520 VanDerWaalsContact CB-CD2 3.48Å; Y503-Y520 HydrophobicContact CD1-CD1 4.39Å; Y503-Y520 HydrophobicContact CD1-CD2 4.25Å; Y503-Y520 AromaticContact CD1-CG 3.86Å; Y503-Y520 HydrophobicContact CD1-CG 3.86Å; Y503-Y520 AromaticContact CD2-CD2 3.41Å; Y503-Y520 HydrophobicContact CD2-CD2 3.41Å; Y503-Y520 VanDerWaalsContact CD2-CD2 3.41Å; Y503-Y520 HydrophobicContact CD2-CE2 4.02Å; Y503-Y520 AromaticContact CD2-CG 3.89Å; Y503-Y520 HydrophobicContact CD2-CG 3.89Å; Y503-Y520 HydrophobicContact CE2-CD2 4.19Å; Y503-Y520 HydrophobicContact CG-CD1 4.1Å; Y503-Y520 AromaticContact CG-CD2 3.46Å; Y503-Y520 HydrophobicContact CG-CD2 3.46Å; Y503-Y520 VanDerWaalsContact CG-CD2 3.46Å; Y503-Y520 HydrophobicContact CG-CE2 4.03Å; Y503-Y520 AromaticContact CG-CG 3.5Å; Y503-Y520 HydrophobicContact CG-CG 3.5Å; Y503-Y520 VanDerWaalsContact CG-CG 3.5Å
504	D	84.1	Confident	81.6	Confident	41 Å²	41	53.1 Å²	53.1	22%	0.219	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-37.5	176.3	-88.2	3.3	0	0	0	111.7	K500 I507 D508 Y520 K539	K500-D504 WeakPolarHBondContact O-CB 3.16Å; K500-D504 PolarHBondContact O-N 3.31Å; D504-I507 PolarHBondContact O-N 2.71Å; D504-D508 PolarHBondContact O-N 3.37Å; D504-Y520 WeakPolarHBondContact OD1-CE1 3.47Å; D504-Y520 PolarHBondContact OD1-OH 3.22Å; D504-K539 IonicContact OD1-NZ 3.89Å; D504-K539 PolarHBondContact OD1-NZ 2.8Å; D504-K539 IonicContact OD2-NZ 2.69Å; D504-K539 PolarHBondContact OD2-NZ 3.03Å
505	R	81.9	Confident	82	Confident	114 Å²	114	56.7 Å²	56.7	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-41.3	172.6	-74.1	166.4	-168.7	172.7	7.1	112.9	W483 A501 A502 Y503 I507 D508 L509	W483-R505 HydrophobicContact CH2-CB 3.58Å; W483-R505 HydrophobicContact CH2-CG 4.43Å; W483-R505 HydrophobicContact CZ2-CB 4.34Å; W483-R505 HydrophobicContact CZ3-CB 4.13Å; A501-R505 WeakPolarHBondContact O-CB 3.2Å; A501-R505 WeakPolarHBondContact O-CD 3.4Å; A501-R505 WeakPolarHBondContact O-CG 3.46Å; A501-R505 PolarHBondContact O-N 3.41Å; A502-R505 PolarHBondContact O-N 2.97Å; Y503-R505 VanDerWaalsContact C-N 3.3Å; Y503-R505 PolarHBondContact O-N 3.04Å; R505-I507 VanDerWaalsContact C-N 3.29Å; R505-I507 PolarHBondContact O-N 3.43Å; R505-D508 PolarHBondContact O-N 3.26Å; R505-L509 WeakPolarHBondContact O-CB 3.25Å; R505-L509 VanDerWaalsContact O-CG 3.25Å; R505-L509 WeakPolarHBondContact O-CG 3.08Å; R505-L509 PolarHBondContact O-N 3.05Å
506	M	83.1	Confident	82.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-37.7	175.9	-76.2	-157.2	-134.4	0	0	113.1	W483 T487 A502 Y503 R510 I511 A512 I516	W483-M506 HydrophobicContact CB-CE 3.85Å; W483-M506 HydrophobicContact CB-CG 4.05Å; W483-M506 HydrophobicContact CB-SD 3.74Å; W483-M506 HydrophobicContact CD2-CG 3.6Å; W483-M506 HydrophobicContact CD2-SD 4.45Å; W483-M506 HydrophobicContact CE3-CE 3.96Å; W483-M506 HydrophobicContact CE3-CG 3.41Å; W483-M506 VanDerWaalsContact CE3-CG 3.41Å; W483-M506 HydrophobicContact CE3-SD 4.35Å; W483-M506 HydrophobicContact CG-CG 3.9Å; W483-M506 HydrophobicContact CG-SD 4.25Å; W483-M506 HydrophobicContact CZ3-CG 4.08Å; W483-M506 VanDerWaalsContact O-CE 3.23Å; W483-M506 WeakPolarHBondContact O-CE 3.48Å; T487-M506 HydrophobicContact CG2-CE 3.21Å; T487-M506 WeakPolarHBondContact OG1-CE 3.15Å; A502-M506 PolarHBondContact O-N 3.13Å; A502-M506 VanDerWaalsContact O-N 3.13Å; Y503-M506 HydrophobicContact CD1-CE 4.48Å; Y503-M506 PolarHBondContact O-N 2.94Å; Y503-M506 VanDerWaalsContact O-N 3.17Å; M506-R510 PolarHBondContact O-N 3.24Å; M506-I511 PolarHBondContact O-N 3.31Å; M506-A512 HydrophobicContact CB-CB 4.27Å; M506-I516 HydrophobicContact CE-CG2 4.3Å; M506-I516 HydrophobicContact SD-CD1 3.92Å; M506-I516 HydrophobicContact SD-CG2 3.72Å
507	I	83.5	Confident	82.6	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-46.6	178.8	-70.1	170.3	0	0	0	109.7	Y503 D504 R505 L509 R510 A512 I517 Y520 K539 L543	Y503-I507 WeakPolarHBondContact O-CG1 3.35Å; Y503-I507 PolarHBondContact O-N 3.13Å; Y503-I507 VanDerWaalsContact O-N 3.14Å; D504-I507 PolarHBondContact O-N 2.71Å; R505-I507 VanDerWaalsContact C-N 3.29Å; R505-I507 PolarHBondContact O-N 3.43Å; I507-L509 VanDerWaalsContact C-N 3.35Å; I507-L509 PolarHBondContact O-N 2.64Å; I507-R510 PolarHBondContact O-N 2.88Å; I507-A512 HydrophobicContact CG1-CB 4.3Å; I507-I517 HydrophobicContact CD1-CG1 4.3Å; I507-I517 HydrophobicContact CG1-CD1 4.48Å; I507-I517 HydrophobicContact CG1-CG1 4.33Å; I507-Y520 HydrophobicContact CD1-CD1 3.81Å; I507-Y520 HydrophobicContact CD1-CE1 3.72Å; I507-K539 HydrophobicContact CD1-CD 4.35Å; I507-K539 HydrophobicContact CG2-CB 4.01Å; I507-K539 HydrophobicContact CG2-CD 3.9Å; I507-K539 HydrophobicContact CG2-CG 4.48Å; I507-L543 HydrophobicContact CB-CD1 4.45Å; I507-L543 HydrophobicContact CG2-CD1 3.86Å
508	D	83.7	Confident	82.7	Confident	126 Å²	126	45.2 Å²	45.2	67%	0.674	22%	0.221	S	C	*	.	H	α-helix	trans	-63.4	-38.4	176.9	-73.8	-14.9	0	0	0	112.5	D504 R505 R510	D504-D508 PolarHBondContact O-N 3.37Å; R505-D508 PolarHBondContact O-N 3.26Å; D508-R510 PolarHBondContact O-N 3.24Å
509	L	81.3	Confident	82.8	Confident	49 Å²	49	44.9 Å²	44.9	26%	0.257	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.1	173.8	-68.2	173.6	0	0	0	113.8	W483 R505 I507 I511	W483-L509 HydrophobicContact CZ2-CD1 3.55Å; R505-L509 WeakPolarHBondContact O-CB 3.25Å; R505-L509 VanDerWaalsContact O-CG 3.25Å; R505-L509 WeakPolarHBondContact O-CG 3.08Å; R505-L509 PolarHBondContact O-N 3.05Å; I507-L509 VanDerWaalsContact C-N 3.35Å; I507-L509 PolarHBondContact O-N 2.64Å; L509-I511 VanDerWaalsContact C-N 3.31Å; L509-I511 HydrophobicContact CB-CD1 3.52Å; L509-I511 HydrophobicContact CB-CG1 3.89Å; L509-I511 HydrophobicContact CD1-CD1 3.83Å; L509-I511 HydrophobicContact CG-CD1 4.31Å; L509-I511 PolarHBondContact O-N 3.07Å
510	R	79.2	Confident	82.9	Confident	203 Å²	203	45 Å²	45	77%	0.766	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	31.8	-179	-49.4	-172.6	173.9	-178.3	-4.5	115	M506 I507 D508 L543	M506-R510 PolarHBondContact O-N 3.24Å; I507-R510 PolarHBondContact O-N 2.88Å; D508-R510 PolarHBondContact O-N 3.24Å; R510-L543 HydrophobicContact CB-CD2 4.39Å; R510-L543 HydrophobicContact CG-CD2 3.79Å
511	I	76.9	Confident	82.9	Confident	26 Å²	26	42.4 Å²	42.4	13%	0.133	21%	0.207	C	C	.	.			trans	-93.6	-24.8	179.1	-52.2	156.6	0	0	0	111	H477 L480 M506 L509	H477-I511 VanDerWaalsContact O-CD1 3.25Å; H477-I511 WeakPolarHBondContact O-CD1 3.01Å; L480-I511 HydrophobicContact CB-CG2 3.93Å; L480-I511 HydrophobicContact CD1-CG2 4.02Å; M506-I511 PolarHBondContact O-N 3.31Å; L509-I511 VanDerWaalsContact C-N 3.31Å; L509-I511 HydrophobicContact CB-CD1 3.52Å; L509-I511 HydrophobicContact CB-CG1 3.89Å; L509-I511 HydrophobicContact CD1-CD1 3.83Å; L509-I511 HydrophobicContact CG-CD1 4.31Å; L509-I511 PolarHBondContact O-N 3.07Å
512	A	76.4	Confident	83	Confident	8 Å²	8	44 Å²	44	7%	0.066	21%	0.21	C	C	.	.			trans	-53.3	137.3	-176	0	0	0	0	0	113	M506 I507 I516 I517 F544	M506-A512 HydrophobicContact CB-CB 4.27Å; I507-A512 HydrophobicContact CG1-CB 4.3Å; A512-I516 HydrophobicContact CB-CB 4.44Å; A512-I516 HydrophobicContact CB-CG2 3.87Å; A512-I517 HydrophobicContact CB-CD1 3.89Å; A512-I517 HydrophobicContact CB-CG1 4.21Å; A512-F544 VanDerWaalsContact O-CZ 3.27Å; A512-F544 WeakPolarHBondContact O-CZ 3.43Å
513	T	82.3	Confident	83	Confident	44 Å²	44	45.3 Å²	45.3	27%	0.27	22%	0.216	S	C	.	.			trans	-89.7	164.5	168.7	64	0	0	0	0	110.6	L480 Q515 I516 I517 F544	L480-T513 HydrophobicContact CD1-CG2 4.11Å; L480-T513 HydrophobicContact CD2-CG2 3.89Å; T513-Q515 PolarHBondContact O-N 3.07Å; T513-I516 HydrophobicContact CG2-CD1 4.47Å; T513-I516 PolarHBondContact O-N 2.84Å; T513-I516 VanDerWaalsContact O-N 3.13Å; T513-I516 WeakPolarHBondContact OG1-CG1 3.3Å; T513-I516 PolarHBondContact OG1-N 3.06Å; T513-I517 PolarHBondContact O-N 2.99Å; T513-F544 VanDerWaalsContact C-CZ 3.48Å
514	P	81.2	Confident	83	Confident	26 Å²	26	45.2 Å²	45.2	17%	0.169	22%	0.215	C	C	.	.	H	α-helix	trans	-54.5	-36.7	171.9	-27.6	36.4	0	0	0	112.6	I517 M518 F544 N548 I552	P514-I517 PolarHBondContact O-N 3.24Å; P514-M518 WeakPolarHBondContact O-CG 3.38Å; P514-M518 PolarHBondContact O-N 3.45Å; P514-F544 HydrophobicContact CB-CE2 4.3Å; P514-F544 HydrophobicContact CG-CD1 4.47Å; P514-F544 HydrophobicContact CG-CD2 4.3Å; P514-F544 HydrophobicContact CG-CE1 4.14Å; P514-F544 HydrophobicContact CG-CE2 3.92Å; P514-F544 HydrophobicContact CG-CZ 3.85Å; P514-N548 HydrophobicContact CG-CB 4.01Å; P514-I552 HydrophobicContact CB-CD1 4.1Å; P514-I552 HydrophobicContact CB-CG1 4.36Å
515	Q	83.5	Confident	83	Confident	102 Å²	102	44.1 Å²	44.1	48%	0.477	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-45.1	176.1	-170.3	62.1	50.6	0	0	112.3	T513 I517 M518 N519	T513-Q515 PolarHBondContact O-N 3.07Å; Q515-I517 PolarHBondContact O-N 2.93Å; Q515-M518 PolarHBondContact O-N 3.16Å; Q515-M518 VanDerWaalsContact O-N 3.11Å; Q515-N519 PolarHBondContact NE2-OD1 3.26Å; Q515-N519 PolarHBondContact O-N 3.02Å; Q515-N519 PolarHBondContact O-OD1 3.04Å; Q515-N519 VanDerWaalsContact O-OD1 3.06Å
516	I	85.3	Confident	83.2	Confident	17 Å²	17	46 Å²	46	9%	0.087	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-36.6	177.7	-76.6	171	0	0	0	111.4	L480 Y503 M506 A512 T513 Y520	L480-I516 HydrophobicContact CD1-CD1 3.5Å; L480-I516 VanDerWaalsContact CD1-CD1 3.5Å; Y503-I516 HydrophobicContact CD1-CG2 3.96Å; Y503-I516 HydrophobicContact CE1-CG2 3.84Å; Y503-I516 WeakPolarHBondContact CE1-O 3.16Å; M506-I516 HydrophobicContact CE-CG2 4.3Å; M506-I516 HydrophobicContact SD-CD1 3.92Å; M506-I516 HydrophobicContact SD-CG2 3.72Å; A512-I516 HydrophobicContact CB-CB 4.44Å; A512-I516 HydrophobicContact CB-CG2 3.87Å; T513-I516 HydrophobicContact CG2-CD1 4.47Å; T513-I516 PolarHBondContact O-N 2.84Å; T513-I516 VanDerWaalsContact O-N 3.13Å; T513-I516 WeakPolarHBondContact OG1-CG1 3.3Å; T513-I516 PolarHBondContact OG1-N 3.06Å; I516-Y520 WeakPolarHBondContact O-CB 3.48Å; I516-Y520 PolarHBondContact O-N 2.96Å
517	I	85.4	Confident	83.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-74.5	-34.3	176.1	-76.6	154	0	0	0	111.9	I507 A512 T513 P514 Q515 A521 F544	I507-I517 HydrophobicContact CD1-CG1 4.3Å; I507-I517 HydrophobicContact CG1-CD1 4.48Å; I507-I517 HydrophobicContact CG1-CG1 4.33Å; A512-I517 HydrophobicContact CB-CD1 3.89Å; A512-I517 HydrophobicContact CB-CG1 4.21Å; T513-I517 PolarHBondContact O-N 2.99Å; P514-I517 PolarHBondContact O-N 3.24Å; Q515-I517 PolarHBondContact O-N 2.93Å; I517-A521 WeakPolarHBondContact O-CB 3.48Å; I517-A521 PolarHBondContact O-N 2.79Å; I517-F544 HydrophobicContact CD1-CE2 3.51Å; I517-F544 HydrophobicContact CD1-CZ 3.93Å
518	M	85	Confident	83	Confident	34 Å²	34	54.5 Å²	54.5	17%	0.167	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-42.8	170.7	-69.9	-173.6	-62.3	0	0	112.1	P514 Q515 A521 L522 T555	P514-M518 WeakPolarHBondContact O-CG 3.38Å; P514-M518 PolarHBondContact O-N 3.45Å; Q515-M518 PolarHBondContact O-N 3.16Å; Q515-M518 VanDerWaalsContact O-N 3.11Å; M518-A521 PolarHBondContact O-N 2.86Å; M518-L522 WeakPolarHBondContact O-CB 3.35Å; M518-L522 VanDerWaalsContact O-CG 3.27Å; M518-L522 WeakPolarHBondContact O-CG 3.09Å; M518-L522 PolarHBondContact O-N 3.04Å; M518-T555 HydrophobicContact SD-CG2 4.17Å
519	N	86	Confident	82.9	Confident	47 Å²	47	54 Å²	54	25%	0.251	26%	0.257	S	S	.	.	H	α-helix	trans	-59.1	-52.6	173.6	-73.6	32.9	0	0	0	110.9	Q515 A521 L522 F523	Q515-N519 PolarHBondContact NE2-OD1 3.26Å; Q515-N519 PolarHBondContact O-N 3.02Å; Q515-N519 PolarHBondContact O-OD1 3.04Å; Q515-N519 VanDerWaalsContact O-OD1 3.06Å; N519-A521 VanDerWaalsContact C-N 3.28Å; N519-A521 PolarHBondContact O-N 3.36Å; N519-L522 PolarHBondContact O-N 2.84Å; N519-F523 PolarHBondContact O-N 2.72Å
520	Y	84.5	Confident	82.8	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-54.4	-43.7	177.6	-177.9	-154.2	0	0	0	112.5	K500 Y503 D504 I507 I516 L524 A536	K500-Y520 HydrophobicContact CG-CE2 4.21Å; K500-Y520 WeakPolarHBondContact CG-OH 3.43Å; Y503-Y520 VanDerWaalsContact CB-CD2 3.48Å; Y503-Y520 HydrophobicContact CD1-CD1 4.39Å; Y503-Y520 HydrophobicContact CD1-CD2 4.25Å; Y503-Y520 AromaticContact CD1-CG 3.86Å; Y503-Y520 HydrophobicContact CD1-CG 3.86Å; Y503-Y520 AromaticContact CD2-CD2 3.41Å; Y503-Y520 HydrophobicContact CD2-CD2 3.41Å; Y503-Y520 VanDerWaalsContact CD2-CD2 3.41Å; Y503-Y520 HydrophobicContact CD2-CE2 4.02Å; Y503-Y520 AromaticContact CD2-CG 3.89Å; Y503-Y520 HydrophobicContact CD2-CG 3.89Å; Y503-Y520 HydrophobicContact CE2-CD2 4.19Å; Y503-Y520 HydrophobicContact CG-CD1 4.1Å; Y503-Y520 AromaticContact CG-CD2 3.46Å; Y503-Y520 HydrophobicContact CG-CD2 3.46Å; Y503-Y520 VanDerWaalsContact CG-CD2 3.46Å; Y503-Y520 HydrophobicContact CG-CE2 4.03Å; Y503-Y520 AromaticContact CG-CG 3.5Å; Y503-Y520 HydrophobicContact CG-CG 3.5Å; Y503-Y520 VanDerWaalsContact CG-CG 3.5Å; D504-Y520 WeakPolarHBondContact OD1-CE1 3.47Å; D504-Y520 PolarHBondContact OD1-OH 3.22Å; I507-Y520 HydrophobicContact CD1-CD1 3.81Å; I507-Y520 HydrophobicContact CD1-CE1 3.72Å; I516-Y520 WeakPolarHBondContact O-CB 3.48Å; I516-Y520 PolarHBondContact O-N 2.96Å; Y520-L524 HydrophobicContact CD2-CD1 3.84Å; Y520-L524 HydrophobicContact CD2-CG 3.96Å; Y520-L524 HydrophobicContact CE1-CD1 4.48Å; Y520-L524 HydrophobicContact CE2-CD1 3.48Å; Y520-L524 VanDerWaalsContact CE2-CD1 3.48Å; Y520-L524 HydrophobicContact CE2-CD2 4.19Å; Y520-L524 HydrophobicContact CE2-CG 3.84Å; Y520-L524 HydrophobicContact CG-CD1 4.48Å; Y520-L524 WeakPolarHBondContact O-CB 3.47Å; Y520-L524 VanDerWaalsContact O-CG 3.26Å; Y520-L524 WeakPolarHBondContact O-CG 3.26Å; Y520-L524 PolarHBondContact O-N 3.14Å; Y520-A536 HydrophobicContact CD1-CB 3.51Å; Y520-A536 HydrophobicContact CE1-CB 3.63Å; Y520-A536 HydrophobicContact CG-CB 4.25Å
521	A	84.8	Confident	82.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.3	-40.2	177.1	0	0	0	0	0	112.3	I517 M518 N519 L524 E525 A533 Y537	I517-A521 WeakPolarHBondContact O-CB 3.48Å; I517-A521 PolarHBondContact O-N 2.79Å; M518-A521 PolarHBondContact O-N 2.86Å; N519-A521 VanDerWaalsContact C-N 3.28Å; N519-A521 PolarHBondContact O-N 3.36Å; A521-L524 PolarHBondContact O-N 3.4Å; A521-E525 WeakPolarHBondContact O-CG 3.47Å; A521-E525 PolarHBondContact O-N 3.17Å; A521-A533 HydrophobicContact CB-CB 4.45Å; A521-Y537 HydrophobicContact CB-CD1 4.01Å; A521-Y537 HydrophobicContact CB-CD2 4.12Å; A521-Y537 HydrophobicContact CB-CE1 3.5Å; A521-Y537 HydrophobicContact CB-CE2 3.63Å; A521-Y537 HydrophobicContact CB-CG 4.31Å
522	L	86	Confident	83.1	Confident	69 Å²	69	48.1 Å²	48.1	36%	0.361	24%	0.237	S	C	.	.	H	α-helix	trans	-63.6	-45.5	175	-72.2	167.6	0	0	0	111.9	M518 N519 L524 E525 E526	M518-L522 WeakPolarHBondContact O-CB 3.35Å; M518-L522 VanDerWaalsContact O-CG 3.27Å; M518-L522 WeakPolarHBondContact O-CG 3.09Å; M518-L522 PolarHBondContact O-N 3.04Å; N519-L522 PolarHBondContact O-N 2.84Å; L522-L524 VanDerWaalsContact C-N 3.3Å; L522-L524 PolarHBondContact O-N 2.63Å; L522-E525 WeakPolarHBondContact O-CA 3.5Å; L522-E525 WeakPolarHBondContact O-CB 3.45Å; L522-E525 PolarHBondContact O-N 2.7Å; L522-E526 WeakPolarHBondContact O-CG 3.25Å; L522-E526 PolarHBondContact O-N 3.28Å
523	F	84	Confident	83.5	Confident	27 Å²	27	47.8 Å²	47.8	12%	0.118	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-43	173.4	176.1	-92.3	0	0	0	111.9	E491 F496 T499 N519 L527	E491-F523 HydrophobicContact CB-CD2 4.46Å; E491-F523 HydrophobicContact CG-CD2 3.95Å; E491-F523 HydrophobicContact CG-CE2 4.3Å; F496-F523 HydrophobicContact CD2-CE1 4.12Å; T499-F523 HydrophobicContact CG2-CE1 4.26Å; T499-F523 HydrophobicContact CG2-CE2 4.19Å; T499-F523 HydrophobicContact CG2-CZ 3.67Å; T499-F523 WeakPolarHBondContact OG1-CE1 3.37Å; T499-F523 WeakPolarHBondContact OG1-CZ 3.45Å; N519-F523 PolarHBondContact O-N 2.72Å; F523-L527 HydrophobicContact CD1-CD1 4.22Å; F523-L527 HydrophobicContact CE1-CD1 3.55Å; F523-L527 HydrophobicContact CE2-CD1 3.94Å; F523-L527 HydrophobicContact CZ-CD1 3.38Å; F523-L527 PolarHBondContact O-N 3.05Å; F523-L527 VanDerWaalsContact O-N 3.16Å
524	L	85.9	Confident	83.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.4	-27.3	174.9	-68.6	179.4	0	0	0	113.3	F496 Y520 A521 L522 N528 Y529 D532 A533 A536	F496-L524 HydrophobicContact CE2-CD2 3.62Å; F496-L524 HydrophobicContact CZ-CD2 4.16Å; Y520-L524 HydrophobicContact CD2-CD1 3.84Å; Y520-L524 HydrophobicContact CD2-CG 3.96Å; Y520-L524 HydrophobicContact CE1-CD1 4.48Å; Y520-L524 HydrophobicContact CE2-CD1 3.48Å; Y520-L524 VanDerWaalsContact CE2-CD1 3.48Å; Y520-L524 HydrophobicContact CE2-CD2 4.19Å; Y520-L524 HydrophobicContact CE2-CG 3.84Å; Y520-L524 HydrophobicContact CG-CD1 4.48Å; Y520-L524 WeakPolarHBondContact O-CB 3.47Å; Y520-L524 VanDerWaalsContact O-CG 3.26Å; Y520-L524 WeakPolarHBondContact O-CG 3.26Å; Y520-L524 PolarHBondContact O-N 3.14Å; A521-L524 PolarHBondContact O-N 3.4Å; L522-L524 VanDerWaalsContact C-N 3.3Å; L522-L524 PolarHBondContact O-N 2.63Å; L524-N528 PolarHBondContact O-N 3.42Å; L524-Y529 CarbonylContact O-C 3.57Å; L524-Y529 WeakPolarHBondContact O-CA 3.31Å; L524-Y529 PolarHBondContact O-N 2.95Å; L524-D532 HydrophobicContact CD1-CB 4.01Å; L524-A533 HydrophobicContact CB-CB 3.74Å; L524-A536 HydrophobicContact CD1-CB 4.24Å
525	E	83.3	Confident	83.8	Confident	19 Å²	19	49.1 Å²	49.1	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-74.1	-43.8	172.7	-75.6	-179.4	-179.2	0	0	112.4	A521 L522 L527 N528 F530 A533 K559	A521-E525 WeakPolarHBondContact O-CG 3.47Å; A521-E525 PolarHBondContact O-N 3.17Å; L522-E525 WeakPolarHBondContact O-CA 3.5Å; L522-E525 WeakPolarHBondContact O-CB 3.45Å; L522-E525 PolarHBondContact O-N 2.7Å; E525-L527 VanDerWaalsContact C-N 3.32Å; E525-L527 PolarHBondContact O-N 3.38Å; E525-N528 WeakPolarHBondContact O-CA 3.33Å; E525-N528 PolarHBondContact O-N 3.43Å; E525-F530 HydrophobicContact CB-CD1 4.29Å; E525-F530 HydrophobicContact CB-CE1 4.18Å; E525-F530 HydrophobicContact CG-CD1 3.91Å; E525-F530 HydrophobicContact CG-CE1 4.23Å; E525-A533 HydrophobicContact CG-CB 4.03Å; E525-K559 WeakPolarHBondContact OE1-CB 3.46Å; E525-K559 WeakPolarHBondContact OE1-CD 3.47Å; E525-K559 VanDerWaalsContact OE1-CG 3.25Å; E525-K559 WeakPolarHBondContact OE1-CG 3.44Å; E525-K559 VanDerWaalsContact OE2-CD 3.31Å; E525-K559 WeakPolarHBondContact OE2-CD 3.41Å; E525-K559 WeakPolarHBondContact OE2-CE 3.25Å; E525-K559 IonicContact OE2-NZ 3.24Å; E525-K559 PolarHBondContact OE2-NZ 2.95Å
526	E	84.9	Confident	83.8	Confident	153 Å²	153	44.4 Å²	44.4	72%	0.715	21%	0.212	S	C	*	.	H	α-helix	trans	-60.8	-41.9	177.2	-72.4	-177.7	-179.3	0	0	111.4	L522 N528	L522-E526 WeakPolarHBondContact O-CG 3.25Å; L522-E526 PolarHBondContact O-N 3.28Å; E526-N528 PolarHBondContact O-N 3.07Å; E526-N528 PolarHBondContact O-ND2 2.94Å
527	L	82.9	Confident	83.8	Confident	76 Å²	76	43.7 Å²	43.7	40%	0.398	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	8.4	173.1	-62.3	179.4	0	0	0	113.9	F496 F523 E525 Y529	F496-L527 HydrophobicContact CD2-CD1 3.52Å; F496-L527 HydrophobicContact CE2-CD1 4.16Å; F496-L527 HydrophobicContact CG-CD1 4.43Å; F523-L527 HydrophobicContact CD1-CD1 4.22Å; F523-L527 HydrophobicContact CE1-CD1 3.55Å; F523-L527 HydrophobicContact CE2-CD1 3.94Å; F523-L527 HydrophobicContact CZ-CD1 3.38Å; F523-L527 PolarHBondContact O-N 3.05Å; F523-L527 VanDerWaalsContact O-N 3.16Å; E525-L527 VanDerWaalsContact C-N 3.32Å; E525-L527 PolarHBondContact O-N 3.38Å; L527-Y529 HydrophobicContact CB-CD2 3.87Å; L527-Y529 HydrophobicContact CB-CE2 4.35Å; L527-Y529 WeakPolarHBondContact O-CD2 3.27Å; L527-Y529 WeakPolarHBondContact O-CE2 3.34Å; L527-Y529 PolarHBondContact O-N 3.43Å
528	N	80.3	Confident	83.7	Confident	113 Å²	113	47 Å²	47	60%	0.604	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	17.1	175.9	-69.2	-102.6	0	0	0	115.8	L524 E525 E526 F530	L524-N528 PolarHBondContact O-N 3.42Å; E525-N528 WeakPolarHBondContact O-CA 3.33Å; E525-N528 PolarHBondContact O-N 3.43Å; E526-N528 PolarHBondContact O-N 3.07Å; E526-N528 PolarHBondContact O-ND2 2.94Å; N528-F530 VanDerWaalsContact C-CD2 3.46Å; N528-F530 HydrophobicContact CB-CD2 4.37Å; N528-F530 HydrophobicContact CB-CE2 3.68Å; N528-F530 HydrophobicContact CB-CZ 4.35Å; N528-F530 WeakPolarHBondContact O-CD2 3.46Å; N528-F530 WeakPolarHBondContact O-CE2 3.06Å; N528-F530 PolarHBondContact O-N 3.02Å; N528-F530 WeakPolarHBondContact OD1-CE2 3.43Å
529	Y	81	Confident	83.6	Confident	115 Å²	115	48.8 Å²	48.8	45%	0.451	23%	0.23	S	C	.	.			trans	-88.5	45.5	175.1	-71.5	-80.8	0	0	0	112.6	F496 L524 L527 E531 D532 A533	F496-Y529 HydrophobicContact CD1-CE2 4.21Å; F496-Y529 HydrophobicContact CD2-CD2 4.22Å; F496-Y529 HydrophobicContact CD2-CE2 4.26Å; F496-Y529 HydrophobicContact CE1-CD1 4.31Å; F496-Y529 AromaticContact CE1-CD2 3.99Å; F496-Y529 HydrophobicContact CE1-CD2 3.99Å; F496-Y529 HydrophobicContact CE1-CE1 4.07Å; F496-Y529 AromaticContact CE1-CE2 3.74Å; F496-Y529 HydrophobicContact CE1-CE2 3.74Å; F496-Y529 HydrophobicContact CE1-CG 4.27Å; F496-Y529 AromaticContact CE1-CZ 3.78Å; F496-Y529 AromaticContact CE2-CD2 3.38Å; F496-Y529 HydrophobicContact CE2-CD2 3.38Å; F496-Y529 AromaticContact CE2-CE2 3.77Å; F496-Y529 HydrophobicContact CE2-CE2 3.77Å; F496-Y529 AromaticContact CE2-CG 3.92Å; F496-Y529 HydrophobicContact CE2-CG 3.92Å; F496-Y529 HydrophobicContact CG-CE2 4.45Å; F496-Y529 AromaticContact CZ-CD1 3.84Å; F496-Y529 HydrophobicContact CZ-CD1 3.84Å; F496-Y529 AromaticContact CZ-CD2 3.25Å; F496-Y529 HydrophobicContact CZ-CD2 3.25Å; F496-Y529 HydrophobicContact CZ-CE1 4.05Å; F496-Y529 AromaticContact CZ-CE2 3.49Å; F496-Y529 HydrophobicContact CZ-CE2 3.49Å; F496-Y529 VanDerWaalsContact CZ-CE2 3.49Å; F496-Y529 AromaticContact CZ-CG 3.44Å; F496-Y529 HydrophobicContact CZ-CG 3.44Å; F496-Y529 VanDerWaalsContact CZ-CG 3.44Å; F496-Y529 AromaticContact CZ-CZ 3.89Å; L524-Y529 CarbonylContact O-C 3.57Å; L524-Y529 WeakPolarHBondContact O-CA 3.31Å; L524-Y529 PolarHBondContact O-N 2.95Å; L527-Y529 HydrophobicContact CB-CD2 3.87Å; L527-Y529 HydrophobicContact CB-CE2 4.35Å; L527-Y529 WeakPolarHBondContact O-CD2 3.27Å; L527-Y529 WeakPolarHBondContact O-CE2 3.34Å; L527-Y529 PolarHBondContact O-N 3.43Å; Y529-E531 VanDerWaalsContact C-N 3.26Å; Y529-E531 PolarHBondContact O-N 3.43Å; Y529-E531 VanDerWaalsContact O-N 3.07Å; Y529-D532 WeakPolarHBondContact O-CA 3.32Å; Y529-D532 PolarHBondContact O-N 3.04Å; Y529-A533 PolarHBondContact O-N 3.38Å
530	F	79.1	Confident	83.4	Confident	36 Å²	36	46.5 Å²	46.5	16%	0.158	22%	0.218	C	C	.	.	H	α-helix	trans	-53	-33.8	-174	-52.4	-92.2	0	0	0	115	E525 N528 D532 A533 F534 R563	E525-F530 HydrophobicContact CB-CD1 4.29Å; E525-F530 HydrophobicContact CB-CE1 4.18Å; E525-F530 HydrophobicContact CG-CD1 3.91Å; E525-F530 HydrophobicContact CG-CE1 4.23Å; N528-F530 VanDerWaalsContact C-CD2 3.46Å; N528-F530 HydrophobicContact CB-CD2 4.37Å; N528-F530 HydrophobicContact CB-CE2 3.68Å; N528-F530 HydrophobicContact CB-CZ 4.35Å; N528-F530 WeakPolarHBondContact O-CD2 3.46Å; N528-F530 WeakPolarHBondContact O-CE2 3.06Å; N528-F530 PolarHBondContact O-N 3.02Å; N528-F530 WeakPolarHBondContact OD1-CE2 3.43Å; F530-D532 VanDerWaalsContact C-N 3.26Å; F530-D532 PolarHBondContact O-N 3.17Å; F530-A533 WeakPolarHBondContact O-CB 3.31Å; F530-A533 PolarHBondContact O-N 2.82Å; F530-F534 HydrophobicContact CB-CE2 4.09Å; F530-F534 HydrophobicContact CB-CZ 4.4Å; F530-F534 WeakPolarHBondContact O-CD2 3.41Å; F530-F534 WeakPolarHBondContact O-CG 3.47Å; F530-F534 PolarHBondContact O-N 2.77Å; F530-R563 VanDerWaalsContact CE2-NE 3.34Å; F530-R563 VanDerWaalsContact CG-CD 3.4Å; F530-R563 VanDerWaalsContact CG-CZ 3.46Å
531	E	81.2	Confident	83.2	Confident	88 Å²	88	47.7 Å²	47.7	41%	0.411	23%	0.226	S	C	.	.	H	α-helix	trans	-71.2	-20.9	177.4	-65.6	-152.9	161	0	0	113.2	Y529 K535 Y564 K568	Y529-E531 VanDerWaalsContact C-N 3.26Å; Y529-E531 PolarHBondContact O-N 3.43Å; Y529-E531 VanDerWaalsContact O-N 3.07Å; E531-K535 VanDerWaalsContact O-CE 3.24Å; E531-K535 WeakPolarHBondContact O-CE 3.04Å; E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 3.22Å; E531-Y564 PolarHBondContact OE1-OH 2.88Å; E531-Y564 VanDerWaalsContact OE1-OH 3.06Å; E531-K568 IonicContact OE1-NZ 2.67Å; E531-K568 PolarHBondContact OE1-NZ 2.65Å
532	D	82.9	Confident	83	Confident	32 Å²	32	51.8 Å²	51.8	17%	0.171	26%	0.26	C	S	.	.	H	α-helix	trans	-85.8	-33.3	167.2	-72.6	-23.2	0	0	0	111.6	K500 L524 Y529 F530 F534 K535 A536	K500-D532 IonicContact NZ-OD2 2.94Å; K500-D532 PolarHBondContact NZ-OD2 3.33Å; L524-D532 HydrophobicContact CD1-CB 4.01Å; Y529-D532 WeakPolarHBondContact O-CA 3.32Å; Y529-D532 PolarHBondContact O-N 3.04Å; F530-D532 VanDerWaalsContact C-N 3.26Å; F530-D532 PolarHBondContact O-N 3.17Å; D532-F534 VanDerWaalsContact C-N 3.29Å; D532-F534 PolarHBondContact O-N 3.34Å; D532-K535 CarbonylContact O-C 3.54Å; D532-K535 WeakPolarHBondContact O-CA 3.16Å; D532-K535 WeakPolarHBondContact O-CB 3.46Å; D532-K535 PolarHBondContact O-N 2.88Å; D532-K535 WeakPolarHBondContact OD1-CD 3.45Å; D532-K535 WeakPolarHBondContact OD1-CE 3.39Å; D532-K535 IonicContact OD1-NZ 3.84Å; D532-K535 PolarHBondContact OD1-NZ 2.93Å; D532-A536 PolarHBondContact O-N 3.24Å
533	A	85.1	Confident	82.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-43	170.6	0	0	0	0	0	111.4	A521 L524 E525 Y529 F530 K535 A536 Y537	A521-A533 HydrophobicContact CB-CB 4.45Å; L524-A533 HydrophobicContact CB-CB 3.74Å; E525-A533 HydrophobicContact CG-CB 4.03Å; Y529-A533 PolarHBondContact O-N 3.38Å; F530-A533 WeakPolarHBondContact O-CB 3.31Å; F530-A533 PolarHBondContact O-N 2.82Å; A533-K535 VanDerWaalsContact C-N 3.34Å; A533-K535 PolarHBondContact O-N 3.11Å; A533-A536 WeakPolarHBondContact O-CB 3.42Å; A533-A536 PolarHBondContact O-N 2.96Å; A533-A536 VanDerWaalsContact O-N 3.13Å; A533-Y537 VanDerWaalsContact O-CD2 3.31Å; A533-Y537 WeakPolarHBondContact O-CD2 3.37Å; A533-Y537 PolarHBondContact O-N 3.31Å
534	F	84.2	Confident	82.4	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-34.1	174	-59.8	-35.2	0	0	0	112.7	F530 D532 Y537 E538 Y556 K559 F560 Y564	F530-F534 HydrophobicContact CB-CE2 4.09Å; F530-F534 HydrophobicContact CB-CZ 4.4Å; F530-F534 WeakPolarHBondContact O-CD2 3.41Å; F530-F534 WeakPolarHBondContact O-CG 3.47Å; F530-F534 PolarHBondContact O-N 2.77Å; D532-F534 VanDerWaalsContact C-N 3.29Å; D532-F534 PolarHBondContact O-N 3.34Å; F534-Y537 HydrophobicContact CD1-CD2 4.22Å; F534-E538 WeakPolarHBondContact O-CB 3.48Å; F534-E538 VanDerWaalsContact O-CG 3.23Å; F534-E538 WeakPolarHBondContact O-CG 3.27Å; F534-E538 PolarHBondContact O-N 3.2Å; F534-Y556 HydrophobicContact CB-CE2 3.73Å; F534-Y556 AromaticContact CD1-CD2 3.56Å; F534-Y556 HydrophobicContact CD1-CD2 3.56Å; F534-Y556 AromaticContact CD1-CE2 3.26Å; F534-Y556 HydrophobicContact CD1-CE2 3.26Å; F534-Y556 HydrophobicContact CE1-CD2 4.11Å; F534-Y556 HydrophobicContact CE1-CE2 4.04Å; F534-Y556 HydrophobicContact CG-CD2 4.39Å; F534-Y556 AromaticContact CG-CE2 3.66Å; F534-Y556 HydrophobicContact CG-CE2 3.66Å; F534-K559 HydrophobicContact CE1-CB 4.42Å; F534-F560 HydrophobicContact CD2-CD2 4.35Å; F534-F560 HydrophobicContact CE1-CB 4.4Å; F534-F560 HydrophobicContact CE1-CD2 4.33Å; F534-F560 HydrophobicContact CE2-CD2 4.18Å; F534-F560 HydrophobicContact CZ-CD2 4.16Å; F534-Y564 HydrophobicContact CD2-CE2 4.23Å; F534-Y564 HydrophobicContact CE2-CD2 4.22Å; F534-Y564 AromaticContact CE2-CE2 3.54Å; F534-Y564 HydrophobicContact CE2-CE2 3.54Å; F534-Y564 HydrophobicContact CZ-CE2 4.36Å
535	K	84.5	Confident	81.8	Confident	98 Å²	98	62.6 Å²	62.6	43%	0.426	30%	0.3	S	S	.	.	H	α-helix	trans	-68.4	-36	170.2	-67.1	165.7	-154.7	159.9	0	111.9	E531 D532 A533 E538 K539	E531-K535 VanDerWaalsContact O-CE 3.24Å; E531-K535 WeakPolarHBondContact O-CE 3.04Å; E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 3.22Å; D532-K535 CarbonylContact O-C 3.54Å; D532-K535 WeakPolarHBondContact O-CA 3.16Å; D532-K535 WeakPolarHBondContact O-CB 3.46Å; D532-K535 PolarHBondContact O-N 2.88Å; D532-K535 WeakPolarHBondContact OD1-CD 3.45Å; D532-K535 WeakPolarHBondContact OD1-CE 3.39Å; D532-K535 IonicContact OD1-NZ 3.84Å; D532-K535 PolarHBondContact OD1-NZ 2.93Å; A533-K535 VanDerWaalsContact C-N 3.34Å; A533-K535 PolarHBondContact O-N 3.11Å; K535-E538 PolarHBondContact O-N 3.21Å; K535-K539 WeakPolarHBondContact O-CB 3.33Å; K535-K539 WeakPolarHBondContact O-CG 3.46Å; K535-K539 PolarHBondContact O-N 3.13Å
536	A	84	Confident	81	Confident	2 Å²	2	64.9 Å²	64.9	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-44.5	175.8	0	0	0	0	0	111.2	Y520 L524 D532 A533 K539 G540	Y520-A536 HydrophobicContact CD1-CB 3.51Å; Y520-A536 HydrophobicContact CE1-CB 3.63Å; Y520-A536 HydrophobicContact CG-CB 4.25Å; L524-A536 HydrophobicContact CD1-CB 4.24Å; D532-A536 PolarHBondContact O-N 3.24Å; A533-A536 WeakPolarHBondContact O-CB 3.42Å; A533-A536 PolarHBondContact O-N 2.96Å; A533-A536 VanDerWaalsContact O-N 3.13Å; A536-K539 PolarHBondContact O-N 3.18Å; A536-G540 PolarHBondContact O-N 3.24Å
537	Y	84.5	Confident	80.5	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-46.9	170.4	-70.4	-53	0	0	0	112	A521 A533 F534 K539 G540 V541 I552 T555 Y556	A521-Y537 HydrophobicContact CB-CD1 4.01Å; A521-Y537 HydrophobicContact CB-CD2 4.12Å; A521-Y537 HydrophobicContact CB-CE1 3.5Å; A521-Y537 HydrophobicContact CB-CE2 3.63Å; A521-Y537 HydrophobicContact CB-CG 4.31Å; A533-Y537 VanDerWaalsContact O-CD2 3.31Å; A533-Y537 WeakPolarHBondContact O-CD2 3.37Å; A533-Y537 PolarHBondContact O-N 3.31Å; F534-Y537 HydrophobicContact CD1-CD2 4.22Å; Y537-K539 PolarHBondContact O-N 3.06Å; Y537-G540 PolarHBondContact O-N 2.91Å; Y537-G540 VanDerWaalsContact O-N 3.16Å; Y537-V541 WeakPolarHBondContact O-CB 3.24Å; Y537-V541 VanDerWaalsContact O-CG2 3.32Å; Y537-V541 WeakPolarHBondContact O-CG2 3.33Å; Y537-V541 PolarHBondContact O-N 3.45Å; Y537-I552 HydrophobicContact CD1-CG2 3.91Å; Y537-T555 WeakPolarHBondContact CE1-OG1 3.43Å; Y537-Y556 AromaticContact CD2-CD2 3.76Å; Y537-Y556 HydrophobicContact CD2-CD2 3.76Å; Y537-Y556 AromaticContact CD2-CG 3.88Å; Y537-Y556 HydrophobicContact CD2-CG 3.88Å; Y537-Y556 HydrophobicContact CG-CD1 4.46Å; Y537-Y556 HydrophobicContact CG-CD2 4.26Å; Y537-Y556 AromaticContact CG-CG 3.93Å; Y537-Y556 HydrophobicContact CG-CG 3.93Å
538	E	84.3	Confident	79.9	Confident	71 Å²	71	61.1 Å²	61.1	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-42.9	177.2	-74.2	165	-175.4	0	0	112.5	F534 K535 A542 Y556 R571	F534-E538 WeakPolarHBondContact O-CB 3.48Å; F534-E538 VanDerWaalsContact O-CG 3.23Å; F534-E538 WeakPolarHBondContact O-CG 3.27Å; F534-E538 PolarHBondContact O-N 3.2Å; K535-E538 PolarHBondContact O-N 3.21Å; E538-A542 PolarHBondContact O-N 3.4Å; E538-A542 VanDerWaalsContact O-N 3.14Å; E538-Y556 HydrophobicContact CG-CE1 3.78Å; E538-Y556 PolarHBondContact OE1-OH 3.33Å; E538-R571 IonicContact OE1-CZ 3.87Å; E538-R571 IonicContact OE1-NH2 3.38Å; E538-R571 PolarHBondContact OE1-NH2 2.78Å; E538-R571 IonicContact OE2-NH2 3.37Å
539	K	82.5	Confident	79.8	Confident	70 Å²	70	56 Å²	56	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-43.6	172.2	-72.4	-173.5	-166.5	-174.6	0	111.7	D504 I507 K535 A536 Y537 A542 L543	D504-K539 IonicContact OD1-NZ 3.89Å; D504-K539 PolarHBondContact OD1-NZ 2.8Å; D504-K539 IonicContact OD2-NZ 2.69Å; D504-K539 PolarHBondContact OD2-NZ 3.03Å; I507-K539 HydrophobicContact CD1-CD 4.35Å; I507-K539 HydrophobicContact CG2-CB 4.01Å; I507-K539 HydrophobicContact CG2-CD 3.9Å; I507-K539 HydrophobicContact CG2-CG 4.48Å; K535-K539 WeakPolarHBondContact O-CB 3.33Å; K535-K539 WeakPolarHBondContact O-CG 3.46Å; K535-K539 PolarHBondContact O-N 3.13Å; A536-K539 PolarHBondContact O-N 3.18Å; Y537-K539 PolarHBondContact O-N 3.06Å; K539-A542 PolarHBondContact O-N 3.13Å; K539-L543 PolarHBondContact O-N 3.03Å
540	G	81.4	Confident	79.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-42.6	178.8	0	0	0	0	0	113.5	A536 Y537 A542 L543 F544	A536-G540 PolarHBondContact O-N 3.24Å; Y537-G540 PolarHBondContact O-N 2.91Å; Y537-G540 VanDerWaalsContact O-N 3.16Å; G540-A542 PolarHBondContact O-N 2.85Å; G540-L543 PolarHBondContact O-N 3.07Å; G540-L543 VanDerWaalsContact O-N 3.11Å; G540-F544 VanDerWaalsContact O-CD2 3.24Å; G540-F544 WeakPolarHBondContact O-CD2 3.13Å; G540-F544 PolarHBondContact O-N 2.95Å
541	V	80.4	Confident	79.5	Confident	29 Å²	29	55.5 Å²	55.5	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-34.5	173.3	167.5	0	0	0	0	111.7	Y537 V549 I552 W553	Y537-V541 WeakPolarHBondContact O-CB 3.24Å; Y537-V541 VanDerWaalsContact O-CG2 3.32Å; Y537-V541 WeakPolarHBondContact O-CG2 3.33Å; Y537-V541 PolarHBondContact O-N 3.45Å; V541-V549 HydrophobicContact CB-CG1 4.13Å; V541-V549 HydrophobicContact CG1-CG1 3.99Å; V541-V549 HydrophobicContact CG2-CG1 3.86Å; V541-I552 HydrophobicContact CG2-CG2 3.88Å; V541-W553 HydrophobicContact CG1-CH2 4.46Å; V541-W553 HydrophobicContact CG1-CZ2 3.62Å; V541-W553 HydrophobicContact CG2-CD2 4.14Å; V541-W553 HydrophobicContact CG2-CZ2 4.31Å
542	A	81.2	Confident	79.6	Confident	85 Å²	85	51.3 Å²	51.3	70%	0.702	25%	0.253	S	S	*	.	H	α-helix	trans	-74.2	-20.8	177	0	0	0	0	0	114.3	E538 K539 G540	E538-A542 PolarHBondContact O-N 3.4Å; E538-A542 VanDerWaalsContact O-N 3.14Å; K539-A542 PolarHBondContact O-N 3.13Å; G540-A542 PolarHBondContact O-N 2.85Å
543	L	80.1	Confident	79.6	Confident	55 Å²	55	50.4 Å²	50.4	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-86.8	-43	179.1	-75.3	176.3	0	0	0	113.4	I507 R510 K539 G540	I507-L543 HydrophobicContact CB-CD1 4.45Å; I507-L543 HydrophobicContact CG2-CD1 3.86Å; R510-L543 HydrophobicContact CB-CD2 4.39Å; R510-L543 HydrophobicContact CG-CD2 3.79Å; K539-L543 PolarHBondContact O-N 3.03Å; G540-L543 PolarHBondContact O-N 3.07Å; G540-L543 VanDerWaalsContact O-N 3.11Å
544	F	76.1	Confident	79.5	Confident	48 Å²	48	51.6 Å²	51.6	21%	0.211	26%	0.257	C	S	.	.			trans	-90.3	165.5	-171.1	-60.7	-60.6	0	0	0	114.2	A512 T513 P514 I517 G540 V549 I552	A512-F544 VanDerWaalsContact O-CZ 3.27Å; A512-F544 WeakPolarHBondContact O-CZ 3.43Å; T513-F544 VanDerWaalsContact C-CZ 3.48Å; P514-F544 HydrophobicContact CB-CE2 4.3Å; P514-F544 HydrophobicContact CG-CD1 4.47Å; P514-F544 HydrophobicContact CG-CD2 4.3Å; P514-F544 HydrophobicContact CG-CE1 4.14Å; P514-F544 HydrophobicContact CG-CE2 3.92Å; P514-F544 HydrophobicContact CG-CZ 3.85Å; I517-F544 HydrophobicContact CD1-CE2 3.51Å; I517-F544 HydrophobicContact CD1-CZ 3.93Å; G540-F544 VanDerWaalsContact O-CD2 3.24Å; G540-F544 WeakPolarHBondContact O-CD2 3.13Å; G540-F544 PolarHBondContact O-N 2.95Å; F544-V549 HydrophobicContact CB-CG2 4.04Å; F544-I552 HydrophobicContact CD2-CD1 3.35Å; F544-I552 HydrophobicContact CE2-CD1 3.65Å; F544-I552 HydrophobicContact CG-CD1 4.46Å
545	R	74.2	Confident	79.4	Confident	221 Å²	221	53.4 Å²	53.4	83%	0.834	27%	0.269	S	S	*	.			trans	-118.1	155.7	171.6	-60.7	-176	-178.8	-159	0.1	109.4	N548 V549	R545-N548 PolarHBondContact O-N 3.5Å; R545-V549 WeakPolarHBondContact O-CG2 3.35Å
546	W	66.7	Low	79.3	Confident	66 Å²	66	48.8 Å²	48.8	25%	0.25	25%	0.248	C	C	.	.	S	Bend	trans	-56.8	138.3	173.8	-59.8	97.1	0	0	0	109.7	V549 Y550 K582 C583 P584 Y587 L591	W546-V549 HydrophobicContact CD2-CB 4.47Å; W546-V549 HydrophobicContact CG-CG2 4.5Å; W546-Y550 HydrophobicContact CZ3-CD2 4.39Å; W546-K582 HydrophobicContact CZ2-CB 4.46Å; W546-K582 PolarHBondContact NE1-O 2.66Å; W546-C583 HydrophobicContact CH2-CB 3.99Å; W546-C583 HydrophobicContact CZ2-CB 3.99Å; W546-P584 HydrophobicContact CD2-CG 4.36Å; W546-P584 HydrophobicContact CE3-CG 4.4Å; W546-P584 HydrophobicContact CG-CG 4.43Å; W546-Y587 HydrophobicContact CE3-CD2 4.47Å; W546-L591 HydrophobicContact CH2-CD1 4.16Å
547	P	73.5	Confident	79.2	Confident	70 Å²	70	48.8 Å²	48.8	46%	0.455	25%	0.248	S	C	.	.	S	Bend	cis	-80.9	-33.8	16.2	-17.4	33.6	0	0	0	116.5	V549 Y550 Y587	P547-V549 PolarHBondContact O-N 2.82Å; P547-Y550 VanDerWaalsContact O-CB 3.31Å; P547-Y550 WeakPolarHBondContact O-CB 3.25Å; P547-Y550 PolarHBondContact O-N 3.07Å; P547-Y587 HydrophobicContact CB-CE2 4.19Å
548	N	70.1	Confident	79.1	Confident	80 Å²	80	50.6 Å²	50.6	43%	0.428	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.4	-161.6	-56.2	20.9	0	0	0	115.8	P514 R545 Y550	P514-N548 HydrophobicContact CG-CB 4.01Å; R545-N548 PolarHBondContact O-N 3.5Å; N548-Y550 PolarHBondContact O-N 2.93Å
549	V	78.1	Confident	78.9	Confident	5 Å²	5	50 Å²	50	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-21.3	172.9	-148.7	0	0	0	0	112.2	V541 F544 R545 W546 P547 D551 I552 W553	V541-V549 HydrophobicContact CB-CG1 4.13Å; V541-V549 HydrophobicContact CG1-CG1 3.99Å; V541-V549 HydrophobicContact CG2-CG1 3.86Å; F544-V549 HydrophobicContact CB-CG2 4.04Å; R545-V549 WeakPolarHBondContact O-CG2 3.35Å; W546-V549 HydrophobicContact CD2-CB 4.47Å; W546-V549 HydrophobicContact CG-CG2 4.5Å; P547-V549 PolarHBondContact O-N 2.82Å; V549-D551 PolarHBondContact O-N 3.44Å; V549-I552 PolarHBondContact O-N 3.46Å; V549-W553 WeakPolarHBondContact O-CB 3.3Å; V549-W553 VanDerWaalsContact O-CD1 3.29Å; V549-W553 PolarHBondContact O-N 3.06Å
550	Y	76.8	Confident	78.8	Confident	57 Å²	57	46.9 Å²	46.9	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-59.3	-46	179.3	175.3	-102.5	0	0	0	111.8	W546 P547 N548 W553 A554 Y587 A590 L591	W546-Y550 HydrophobicContact CZ3-CD2 4.39Å; P547-Y550 VanDerWaalsContact O-CB 3.31Å; P547-Y550 WeakPolarHBondContact O-CB 3.25Å; P547-Y550 PolarHBondContact O-N 3.07Å; N548-Y550 PolarHBondContact O-N 2.93Å; Y550-W553 PolarHBondContact O-N 3.12Å; Y550-A554 VanDerWaalsContact O-CB 3.28Å; Y550-A554 WeakPolarHBondContact O-CB 3.24Å; Y550-A554 PolarHBondContact O-N 3.44Å; Y550-Y587 HydrophobicContact CD1-CD1 4.42Å; Y550-Y587 HydrophobicContact CD2-CD1 4.1Å; Y550-Y587 AromaticContact CD2-CG 3.92Å; Y550-Y587 HydrophobicContact CD2-CG 3.92Å; Y550-Y587 HydrophobicContact CE2-CD1 4.21Å; Y550-Y587 HydrophobicContact CE2-CG 4.32Å; Y550-Y587 HydrophobicContact CG-CD1 4.19Å; Y550-Y587 HydrophobicContact CG-CG 4.2Å; Y550-A590 HydrophobicContact CE2-CB 4.33Å; Y550-A590 VanDerWaalsContact OH-CB 3.3Å; Y550-A590 WeakPolarHBondContact OH-CB 3.13Å; Y550-L591 HydrophobicContact CD2-CD1 4.38Å; Y550-L591 HydrophobicContact CE2-CD1 4.49Å; Y550-L591 HydrophobicContact CE2-CG 4.31Å
551	D	78.8	Confident	78.8	Confident	84 Å²	84	48.5 Å²	48.5	45%	0.449	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-41.2	-177.7	-50.8	-57.7	0	0	0	110.8	V549 A554 T555	V549-D551 PolarHBondContact O-N 3.44Å; D551-A554 PolarHBondContact O-N 3.43Å; D551-T555 PolarHBondContact O-N 3Å; D551-T555 PolarHBondContact O-OG1 2.86Å; D551-T555 VanDerWaalsContact O-OG1 3.08Å
552	I	81.9	Confident	78.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-42.5	175.6	-55.9	176.7	0	0	0	111	P514 Y537 V541 F544 V549 T555 Y556	P514-I552 HydrophobicContact CB-CD1 4.1Å; P514-I552 HydrophobicContact CB-CG1 4.36Å; Y537-I552 HydrophobicContact CD1-CG2 3.91Å; V541-I552 HydrophobicContact CG2-CG2 3.88Å; F544-I552 HydrophobicContact CD2-CD1 3.35Å; F544-I552 HydrophobicContact CE2-CD1 3.65Å; F544-I552 HydrophobicContact CG-CD1 4.46Å; V549-I552 PolarHBondContact O-N 3.46Å; I552-T555 PolarHBondContact O-OG1 3.16Å; I552-T555 VanDerWaalsContact O-OG1 3.05Å; I552-Y556 WeakPolarHBondContact O-CB 3.44Å; I552-Y556 PolarHBondContact O-N 3.46Å
553	W	84	Confident	78.3	Confident	13 Å²	13	55.1 Å²	55.1	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-41.2	173.6	-85.8	126.4	0	0	0	112	V541 V549 Y550 Y556 L557 L575 Q578 C579	V541-W553 HydrophobicContact CG1-CH2 4.46Å; V541-W553 HydrophobicContact CG1-CZ2 3.62Å; V541-W553 HydrophobicContact CG2-CD2 4.14Å; V541-W553 HydrophobicContact CG2-CZ2 4.31Å; V549-W553 WeakPolarHBondContact O-CB 3.3Å; V549-W553 VanDerWaalsContact O-CD1 3.29Å; V549-W553 PolarHBondContact O-N 3.06Å; Y550-W553 PolarHBondContact O-N 3.12Å; W553-Y556 AromaticContact CE3-CD1 3.93Å; W553-Y556 HydrophobicContact CE3-CD1 3.93Å; W553-Y556 AromaticContact CZ3-CD1 3.77Å; W553-Y556 HydrophobicContact CZ3-CD1 3.77Å; W553-Y556 HydrophobicContact CZ3-CE1 4.03Å; W553-Y556 PolarHBondContact O-N 3.11Å; W553-L557 HydrophobicContact CB-CD1 4.28Å; W553-L557 HydrophobicContact CE3-CD1 4.08Å; W553-L557 HydrophobicContact CE3-CD2 4.3Å; W553-L557 HydrophobicContact CE3-CG 4.04Å; W553-L557 HydrophobicContact CZ3-CD2 4.42Å; W553-L557 WeakPolarHBondContact O-CB 3.48Å; W553-L557 WeakPolarHBondContact O-CD1 3.5Å; W553-L557 WeakPolarHBondContact O-CG 3.32Å; W553-L557 PolarHBondContact O-N 3.23Å; W553-L575 HydrophobicContact CH2-CD2 4.46Å; W553-L575 HydrophobicContact CZ3-CB 4.37Å; W553-L575 HydrophobicContact CZ3-CD2 4.32Å; W553-Q578 HydrophobicContact CH2-CB 4.34Å; W553-C579 VanDerWaalsContact CD1-SG 3.53Å; W553-C579 HydrophobicContact CD2-CB 3.85Å; W553-C579 VanDerWaalsContact CD2-SG 3.58Å; W553-C579 HydrophobicContact CE3-CB 4.1Å; W553-C579 HydrophobicContact CG-CB 4.35Å; W553-C579 HydrophobicContact CH2-CB 4.14Å; W553-C579 HydrophobicContact CZ2-CB 3.88Å; W553-C579 HydrophobicContact CZ3-CB 4.25Å
554	A	82.1	Confident	77.8	Confident	26 Å²	26	53.6 Å²	53.6	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-45.1	179.3	0	0	0	0	0	111.1	Y550 D551 S558	Y550-A554 VanDerWaalsContact O-CB 3.28Å; Y550-A554 WeakPolarHBondContact O-CB 3.24Å; Y550-A554 PolarHBondContact O-N 3.44Å; D551-A554 PolarHBondContact O-N 3.43Å; A554-S558 WeakPolarHBondContact O-CB 3.39Å; A554-S558 PolarHBondContact O-N 3.06Å; A554-S558 PolarHBondContact O-OG 3.13Å
555	T	82	Confident	77.2	Confident	39 Å²	39	53.2 Å²	53.2	24%	0.239	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-46.9	173.9	53	0	0	0	0	112.1	M518 Y537 D551 I552 L557 S558 K559	M518-T555 HydrophobicContact SD-CG2 4.17Å; Y537-T555 WeakPolarHBondContact CE1-OG1 3.43Å; D551-T555 PolarHBondContact O-N 3Å; D551-T555 PolarHBondContact O-OG1 2.86Å; D551-T555 VanDerWaalsContact O-OG1 3.08Å; I552-T555 PolarHBondContact O-OG1 3.16Å; I552-T555 VanDerWaalsContact O-OG1 3.05Å; T555-L557 PolarHBondContact O-N 3.05Å; T555-S558 PolarHBondContact O-N 3.08Å; T555-S558 PolarHBondContact O-OG 2.65Å; T555-S558 VanDerWaalsContact O-OG 3.13Å; T555-K559 VanDerWaalsContact O-CB 3.3Å; T555-K559 WeakPolarHBondContact O-CB 3.48Å; T555-K559 WeakPolarHBondContact O-CG 3.23Å; T555-K559 PolarHBondContact O-N 3.4Å
556	Y	83.3	Confident	76.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-47.8	179.9	-178	-166.5	0	0	0	111	F534 Y537 E538 I552 W553 K559 F560 R571 L575	F534-Y556 HydrophobicContact CB-CE2 3.73Å; F534-Y556 AromaticContact CD1-CD2 3.56Å; F534-Y556 HydrophobicContact CD1-CD2 3.56Å; F534-Y556 AromaticContact CD1-CE2 3.26Å; F534-Y556 HydrophobicContact CD1-CE2 3.26Å; F534-Y556 HydrophobicContact CE1-CD2 4.11Å; F534-Y556 HydrophobicContact CE1-CE2 4.04Å; F534-Y556 HydrophobicContact CG-CD2 4.39Å; F534-Y556 AromaticContact CG-CE2 3.66Å; F534-Y556 HydrophobicContact CG-CE2 3.66Å; Y537-Y556 AromaticContact CD2-CD2 3.76Å; Y537-Y556 HydrophobicContact CD2-CD2 3.76Å; Y537-Y556 AromaticContact CD2-CG 3.88Å; Y537-Y556 HydrophobicContact CD2-CG 3.88Å; Y537-Y556 HydrophobicContact CG-CD1 4.46Å; Y537-Y556 HydrophobicContact CG-CD2 4.26Å; Y537-Y556 AromaticContact CG-CG 3.93Å; Y537-Y556 HydrophobicContact CG-CG 3.93Å; E538-Y556 HydrophobicContact CG-CE1 3.78Å; E538-Y556 PolarHBondContact OE1-OH 3.33Å; I552-Y556 WeakPolarHBondContact O-CB 3.44Å; I552-Y556 PolarHBondContact O-N 3.46Å; W553-Y556 AromaticContact CE3-CD1 3.93Å; W553-Y556 HydrophobicContact CE3-CD1 3.93Å; W553-Y556 AromaticContact CZ3-CD1 3.77Å; W553-Y556 HydrophobicContact CZ3-CD1 3.77Å; W553-Y556 HydrophobicContact CZ3-CE1 4.03Å; W553-Y556 PolarHBondContact O-N 3.11Å; Y556-K559 PolarHBondContact O-N 2.83Å; Y556-F560 HydrophobicContact CD2-CB 4.49Å; Y556-F560 HydrophobicContact CE2-CB 4.47Å; Y556-F560 AromaticContact CE2-CD2 3.98Å; Y556-F560 HydrophobicContact CE2-CD2 3.98Å; Y556-F560 VanDerWaalsContact O-CB 3.25Å; Y556-F560 WeakPolarHBondContact O-CB 3.43Å; Y556-F560 PolarHBondContact O-N 3.14Å; Y556-R571 PolarHBondContact OH-NH2 3.34Å; Y556-L575 HydrophobicContact CE1-CD1 4.24Å; Y556-L575 HydrophobicContact CE1-CD2 3.7Å; Y556-L575 HydrophobicContact CE2-CD1 4.12Å; Y556-L575 WeakPolarHBondContact OH-CD1 3.41Å; Y556-L575 WeakPolarHBondContact OH-CD2 3.29Å
557	L	82.2	Confident	76.9	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-70.2	-36.9	-177.1	-64.6	165.8	0	0	0	112.2	W553 T555 I561 L575 F576 L591	W553-L557 HydrophobicContact CB-CD1 4.28Å; W553-L557 HydrophobicContact CE3-CD1 4.08Å; W553-L557 HydrophobicContact CE3-CD2 4.3Å; W553-L557 HydrophobicContact CE3-CG 4.04Å; W553-L557 HydrophobicContact CZ3-CD2 4.42Å; W553-L557 WeakPolarHBondContact O-CB 3.48Å; W553-L557 WeakPolarHBondContact O-CD1 3.5Å; W553-L557 WeakPolarHBondContact O-CG 3.32Å; W553-L557 PolarHBondContact O-N 3.23Å; T555-L557 PolarHBondContact O-N 3.05Å; L557-I561 WeakPolarHBondContact O-CB 3.23Å; L557-I561 WeakPolarHBondContact O-CD1 3.49Å; L557-I561 VanDerWaalsContact O-CG1 3.23Å; L557-I561 WeakPolarHBondContact O-CG1 3.35Å; L557-I561 PolarHBondContact O-N 3.26Å; L557-L575 HydrophobicContact CD2-CB 4.21Å; L557-F576 HydrophobicContact CB-CE1 4.42Å; L557-F576 HydrophobicContact CB-CZ 4.03Å; L557-F576 HydrophobicContact CD1-CD1 4.06Å; L557-F576 HydrophobicContact CD1-CE1 3.73Å; L557-F576 HydrophobicContact CD1-CZ 4.17Å; L557-F576 HydrophobicContact CD2-CD1 4.23Å; L557-F576 HydrophobicContact CD2-CD2 4.03Å; L557-F576 HydrophobicContact CD2-CE1 4.12Å; L557-F576 HydrophobicContact CD2-CE2 3.87Å; L557-F576 HydrophobicContact CD2-CG 4.19Å; L557-F576 HydrophobicContact CD2-CZ 3.93Å; L557-F576 HydrophobicContact CG-CE1 4.31Å; L557-F576 HydrophobicContact CG-CZ 4.26Å; L557-L591 HydrophobicContact CD1-CD2 3.66Å
558	S	82.3	Confident	77	Confident	41 Å²	41	48 Å²	48	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-47.4	174.5	70.2	0	0	0	0	111.5	A554 T555 F560 I561 E562	A554-S558 WeakPolarHBondContact O-CB 3.39Å; A554-S558 PolarHBondContact O-N 3.06Å; A554-S558 PolarHBondContact O-OG 3.13Å; T555-S558 PolarHBondContact O-N 3.08Å; T555-S558 PolarHBondContact O-OG 2.65Å; T555-S558 VanDerWaalsContact O-OG 3.13Å; S558-F560 VanDerWaalsContact C-N 3.33Å; S558-F560 PolarHBondContact O-N 3.29Å; S558-I561 WeakPolarHBondContact O-CB 3.28Å; S558-I561 PolarHBondContact O-N 3.15Å; S558-E562 WeakPolarHBondContact O-CB 3.14Å; S558-E562 WeakPolarHBondContact O-CG 3.21Å; S558-E562 PolarHBondContact O-N 3.21Å
559	K	78.9	Confident	77.2	Confident	58 Å²	58	45.8 Å²	45.8	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-36	178.5	-65.9	-71.1	-169.2	154.7	0	112.4	E525 F534 T555 Y556 R563	E525-K559 WeakPolarHBondContact OE1-CB 3.46Å; E525-K559 WeakPolarHBondContact OE1-CD 3.47Å; E525-K559 VanDerWaalsContact OE1-CG 3.25Å; E525-K559 WeakPolarHBondContact OE1-CG 3.44Å; E525-K559 VanDerWaalsContact OE2-CD 3.31Å; E525-K559 WeakPolarHBondContact OE2-CD 3.41Å; E525-K559 WeakPolarHBondContact OE2-CE 3.25Å; E525-K559 IonicContact OE2-NZ 3.24Å; E525-K559 PolarHBondContact OE2-NZ 2.95Å; F534-K559 HydrophobicContact CE1-CB 4.42Å; T555-K559 VanDerWaalsContact O-CB 3.3Å; T555-K559 WeakPolarHBondContact O-CB 3.48Å; T555-K559 WeakPolarHBondContact O-CG 3.23Å; T555-K559 PolarHBondContact O-N 3.4Å; Y556-K559 PolarHBondContact O-N 2.83Å; K559-R563 WeakPolarHBondContact O-CB 3.37Å; K559-R563 PolarHBondContact O-N 3.33Å; K559-R563 VanDerWaalsContact O-N 3.12Å
560	F	81.2	Confident	77.3	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-41.2	173.6	-164.5	-77.7	0	0	0	111.8	F534 Y556 S558 Y564 K568 R571 A572 L575	F534-F560 HydrophobicContact CD2-CD2 4.35Å; F534-F560 HydrophobicContact CE1-CB 4.4Å; F534-F560 HydrophobicContact CE1-CD2 4.33Å; F534-F560 HydrophobicContact CE2-CD2 4.18Å; F534-F560 HydrophobicContact CZ-CD2 4.16Å; Y556-F560 HydrophobicContact CD2-CB 4.49Å; Y556-F560 HydrophobicContact CE2-CB 4.47Å; Y556-F560 AromaticContact CE2-CD2 3.98Å; Y556-F560 HydrophobicContact CE2-CD2 3.98Å; Y556-F560 VanDerWaalsContact O-CB 3.25Å; Y556-F560 WeakPolarHBondContact O-CB 3.43Å; Y556-F560 PolarHBondContact O-N 3.14Å; S558-F560 VanDerWaalsContact C-N 3.33Å; S558-F560 PolarHBondContact O-N 3.29Å; F560-Y564 HydrophobicContact CD1-CD2 4.07Å; F560-Y564 AromaticContact CD2-CD2 3.89Å; F560-Y564 HydrophobicContact CD2-CD2 3.89Å; F560-Y564 HydrophobicContact CD2-CE2 4.23Å; F560-Y564 AromaticContact CE1-CD2 3.71Å; F560-Y564 HydrophobicContact CE1-CD2 3.71Å; F560-Y564 HydrophobicContact CE1-CG 4.26Å; F560-Y564 AromaticContact CE2-CD2 3.56Å; F560-Y564 HydrophobicContact CE2-CD2 3.56Å; F560-Y564 AromaticContact CE2-CE2 3.76Å; F560-Y564 HydrophobicContact CE2-CE2 3.76Å; F560-Y564 HydrophobicContact CG-CD2 4.14Å; F560-Y564 AromaticContact CZ-CD2 3.46Å; F560-Y564 HydrophobicContact CZ-CD2 3.46Å; F560-Y564 VanDerWaalsContact CZ-CD2 3.46Å; F560-Y564 AromaticContact CZ-CE2 3.99Å; F560-Y564 HydrophobicContact CZ-CE2 3.99Å; F560-Y564 HydrophobicContact CZ-CG 4.29Å; F560-Y564 WeakPolarHBondContact O-CB 3.39Å; F560-Y564 PolarHBondContact O-N 3.09Å; F560-K568 HydrophobicContact CZ-CB 4.27Å; F560-R571 HydrophobicContact CE2-CG 4.13Å; F560-R571 HydrophobicContact CZ-CB 4.11Å; F560-R571 HydrophobicContact CZ-CG 3.89Å; F560-A572 HydrophobicContact CD1-CB 4.07Å; F560-A572 HydrophobicContact CE1-CB 3.66Å; F560-L575 HydrophobicContact CD2-CD1 3.76Å; F560-L575 HydrophobicContact CE2-CD1 3.72Å; F560-L575 HydrophobicContact CG-CD1 4.27Å; F560-L575 HydrophobicContact CZ-CD1 4.22Å
561	I	80.2	Confident	77.5	Confident	34 Å²	34	53.1 Å²	53.1	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-55.2	174.3	-74	165.2	0	0	0	110.5	L557 S558 R563 Y564 G565 F576 L598	L557-I561 WeakPolarHBondContact O-CB 3.23Å; L557-I561 WeakPolarHBondContact O-CD1 3.49Å; L557-I561 VanDerWaalsContact O-CG1 3.23Å; L557-I561 WeakPolarHBondContact O-CG1 3.35Å; L557-I561 PolarHBondContact O-N 3.26Å; S558-I561 WeakPolarHBondContact O-CB 3.28Å; S558-I561 PolarHBondContact O-N 3.15Å; I561-R563 PolarHBondContact O-N 3.13Å; I561-Y564 PolarHBondContact O-N 3.45Å; I561-G565 PolarHBondContact O-N 3.02Å; I561-G565 VanDerWaalsContact O-N 3.09Å; I561-F576 HydrophobicContact CD1-CE2 4.36Å; I561-F576 HydrophobicContact CD1-CZ 4.14Å; I561-L598 HydrophobicContact CD1-CB 4.48Å; I561-L598 HydrophobicContact CD1-CD1 4.23Å; I561-L598 HydrophobicContact CG1-CD1 3.76Å; I561-L598 HydrophobicContact CG1-CG 4.37Å
562	E	79.3	Confident	77.6	Confident	142 Å²	142	49.2 Å²	49.2	66%	0.664	26%	0.256	S	S	*	.	H	α-helix	trans	-54	-40.3	-177.6	-75.8	171.8	-180	0	0	112.2	S558	S558-E562 WeakPolarHBondContact O-CB 3.14Å; S558-E562 WeakPolarHBondContact O-CG 3.21Å; S558-E562 PolarHBondContact O-N 3.21Å
563	R	72.4	Confident	77.7	Confident	110 Å²	110	51 Å²	51	42%	0.415	26%	0.263	S	S	.	.	H	α-helix	trans	-87.1	-38.8	-177.5	-170.5	166.5	-170.4	-100.1	2.5	114.9	F530 K559 I561	F530-R563 VanDerWaalsContact CE2-NE 3.34Å; F530-R563 VanDerWaalsContact CG-CD 3.4Å; F530-R563 VanDerWaalsContact CG-CZ 3.46Å; K559-R563 WeakPolarHBondContact O-CB 3.37Å; K559-R563 PolarHBondContact O-N 3.33Å; K559-R563 VanDerWaalsContact O-N 3.12Å; I561-R563 PolarHBondContact O-N 3.13Å
564	Y	70.7	Confident	77.7	Confident	23 Å²	23	54.6 Å²	54.6	9%	0.09	28%	0.283	C	S	.	.	H	α-helix	trans	-97.2	-22.7	-171.1	-79.7	-55.9	0	0	0	115.7	E531 F534 F560 I561 G566 N567 K568	E531-Y564 PolarHBondContact OE1-OH 2.88Å; E531-Y564 VanDerWaalsContact OE1-OH 3.06Å; F534-Y564 HydrophobicContact CD2-CE2 4.23Å; F534-Y564 HydrophobicContact CE2-CD2 4.22Å; F534-Y564 AromaticContact CE2-CE2 3.54Å; F534-Y564 HydrophobicContact CE2-CE2 3.54Å; F534-Y564 HydrophobicContact CZ-CE2 4.36Å; F560-Y564 HydrophobicContact CD1-CD2 4.07Å; F560-Y564 AromaticContact CD2-CD2 3.89Å; F560-Y564 HydrophobicContact CD2-CD2 3.89Å; F560-Y564 HydrophobicContact CD2-CE2 4.23Å; F560-Y564 AromaticContact CE1-CD2 3.71Å; F560-Y564 HydrophobicContact CE1-CD2 3.71Å; F560-Y564 HydrophobicContact CE1-CG 4.26Å; F560-Y564 AromaticContact CE2-CD2 3.56Å; F560-Y564 HydrophobicContact CE2-CD2 3.56Å; F560-Y564 AromaticContact CE2-CE2 3.76Å; F560-Y564 HydrophobicContact CE2-CE2 3.76Å; F560-Y564 HydrophobicContact CG-CD2 4.14Å; F560-Y564 AromaticContact CZ-CD2 3.46Å; F560-Y564 HydrophobicContact CZ-CD2 3.46Å; F560-Y564 VanDerWaalsContact CZ-CD2 3.46Å; F560-Y564 AromaticContact CZ-CE2 3.99Å; F560-Y564 HydrophobicContact CZ-CE2 3.99Å; F560-Y564 HydrophobicContact CZ-CG 4.29Å; F560-Y564 WeakPolarHBondContact O-CB 3.39Å; F560-Y564 PolarHBondContact O-N 3.09Å; I561-Y564 PolarHBondContact O-N 3.45Å; Y564-G566 PolarHBondContact O-N 2.98Å; Y564-N567 WeakPolarHBondContact O-CB 3.31Å; Y564-N567 PolarHBondContact O-N 3.23Å; Y564-K568 HydrophobicContact CD1-CB 4.32Å; Y564-K568 HydrophobicContact CD1-CD 4.02Å; Y564-K568 HydrophobicContact CD1-CG 3.97Å; Y564-K568 HydrophobicContact CD2-CD 4.43Å; Y564-K568 HydrophobicContact CE1-CD 3.66Å; Y564-K568 HydrophobicContact CE1-CG 4.09Å; Y564-K568 HydrophobicContact CE2-CD 4.05Å; Y564-K568 HydrophobicContact CG-CB 4.23Å; Y564-K568 HydrophobicContact CG-CD 4.41Å; Y564-K568 HydrophobicContact CG-CG 4.37Å; Y564-K568 PolarHBondContact OH-NZ 3.17Å; Y564-K568 VanDerWaalsContact OH-NZ 3.13Å
565	G	62.2	Low	77.7	Confident	41 Å²	41	53.5 Å²	53.5	42%	0.423	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.3	37.1	159.1	0	0	0	0	0	118.6	I561 H602	I561-G565 PolarHBondContact O-N 3.02Å; I561-G565 VanDerWaalsContact O-N 3.09Å; G565-H602 WeakPolarHBondContact CA-NE2 3.41Å; G565-H602 PolarHBondContact O-CE1 3.13Å; G565-H602 PolarHBondContact O-ND1 3.34Å
566	G	65.3	Low	77.6	Confident	29 Å²	29	51.8 Å²	51.8	30%	0.299	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.1	-19.2	-176.6	0	0	0	0	0	117	Y564 L569	Y564-G566 PolarHBondContact O-N 2.98Å; G566-L569 WeakPolarHBondContact O-CG 3.18Å
567	N	70	Confident	77.6	Confident	144 Å²	144	54.7 Å²	54.7	77%	0.77	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.5	-173.5	-73.3	-31.5	0	0	0	115.1	Y564	Y564-N567 WeakPolarHBondContact O-CB 3.31Å; Y564-N567 PolarHBondContact O-N 3.23Å
568	K	74.4	Confident	77.5	Confident	74 Å²	74	59.3 Å²	59.3	32%	0.322	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	50.5	-178.6	-66.3	-167.3	-176.1	-178.6	0	111.9	E531 F560 Y564 E570 R571 A572	E531-K568 IonicContact OE1-NZ 2.67Å; E531-K568 PolarHBondContact OE1-NZ 2.65Å; F560-K568 HydrophobicContact CZ-CB 4.27Å; Y564-K568 HydrophobicContact CD1-CB 4.32Å; Y564-K568 HydrophobicContact CD1-CD 4.02Å; Y564-K568 HydrophobicContact CD1-CG 3.97Å; Y564-K568 HydrophobicContact CD2-CD 4.43Å; Y564-K568 HydrophobicContact CE1-CD 3.66Å; Y564-K568 HydrophobicContact CE1-CG 4.09Å; Y564-K568 HydrophobicContact CE2-CD 4.05Å; Y564-K568 HydrophobicContact CG-CB 4.23Å; Y564-K568 HydrophobicContact CG-CD 4.41Å; Y564-K568 HydrophobicContact CG-CG 4.37Å; Y564-K568 PolarHBondContact OH-NZ 3.17Å; Y564-K568 VanDerWaalsContact OH-NZ 3.13Å; K568-E570 PolarHBondContact O-N 3.05Å; K568-R571 PolarHBondContact O-N 3.41Å; K568-A572 PolarHBondContact O-N 2.87Å; K568-A572 VanDerWaalsContact O-N 3.08Å
569	L	76.1	Confident	77.1	Confident	33 Å²	33	57.4 Å²	57.4	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-60.6	-38.7	-174	-70	170.2	0	0	0	114	G566 A572 R573 L598 H602	G566-L569 WeakPolarHBondContact O-CG 3.18Å; L569-A572 WeakPolarHBondContact O-CB 3.39Å; L569-A572 PolarHBondContact O-N 2.85Å; L569-A572 VanDerWaalsContact O-N 3.17Å; L569-R573 WeakPolarHBondContact O-CD 3.49Å; L569-R573 WeakPolarHBondContact O-CG 3.45Å; L569-R573 PolarHBondContact O-N 3.48Å; L569-L598 HydrophobicContact CD2-CD2 3.51Å; L569-H602 HydrophobicContact CD1-CB 4.1Å; L569-H602 VanDerWaalsContact CD1-O 3.22Å; L569-H602 WeakPolarHBondContact CD1-O 3.4Å; L569-H602 HydrophobicContact CD2-CB 3.62Å; L569-H602 HydrophobicContact CG-CB 4.42Å
570	E	79.2	Confident	76.8	Confident	145 Å²	145	55.4 Å²	55.4	68%	0.678	28%	0.276	S	S	*	.	H	α-helix	trans	-64.5	-47.4	-179.5	-64.9	179.1	159.3	0	0	110.9	K568 A572 R573 D574	K568-E570 PolarHBondContact O-N 3.05Å; E570-A572 VanDerWaalsContact C-N 3.28Å; E570-A572 PolarHBondContact O-N 3.43Å; E570-R573 WeakPolarHBondContact O-CB 3.33Å; E570-R573 PolarHBondContact O-N 2.83Å; E570-D574 PolarHBondContact O-N 3.4Å
571	R	80.9	Confident	76.5	Confident	71 Å²	71	62.1 Å²	62.1	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-58.2	-38.2	170.8	-176.6	174.9	-180	179.9	2.5	112.6	E538 Y556 F560 K568 R573 D574 L575	E538-R571 IonicContact OE1-CZ 3.87Å; E538-R571 IonicContact OE1-NH2 3.38Å; E538-R571 PolarHBondContact OE1-NH2 2.78Å; E538-R571 IonicContact OE2-NH2 3.37Å; Y556-R571 PolarHBondContact OH-NH2 3.34Å; F560-R571 HydrophobicContact CE2-CG 4.13Å; F560-R571 HydrophobicContact CZ-CB 4.11Å; F560-R571 HydrophobicContact CZ-CG 3.89Å; K568-R571 PolarHBondContact O-N 3.41Å; R571-R573 VanDerWaalsContact C-N 3.33Å; R571-R573 PolarHBondContact O-N 2.9Å; R571-D574 PolarHBondContact O-N 2.92Å; R571-L575 HydrophobicContact CG-CD1 4.12Å; R571-L575 HydrophobicContact CG-CG 4.4Å; R571-L575 VanDerWaalsContact O-CG 3.25Å; R571-L575 WeakPolarHBondContact O-CG 3.42Å; R571-L575 PolarHBondContact O-N 3.26Å
572	A	81.3	Confident	75.9	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-45	175.6	0	0	0	0	0	111.6	F560 K568 L569 E570 L575 F576 L598	F560-A572 HydrophobicContact CD1-CB 4.07Å; F560-A572 HydrophobicContact CE1-CB 3.66Å; K568-A572 PolarHBondContact O-N 2.87Å; K568-A572 VanDerWaalsContact O-N 3.08Å; L569-A572 WeakPolarHBondContact O-CB 3.39Å; L569-A572 PolarHBondContact O-N 2.85Å; L569-A572 VanDerWaalsContact O-N 3.17Å; E570-A572 VanDerWaalsContact C-N 3.28Å; E570-A572 PolarHBondContact O-N 3.43Å; A572-L575 PolarHBondContact O-N 3.48Å; A572-F576 VanDerWaalsContact O-CD2 3.29Å; A572-F576 WeakPolarHBondContact O-CD2 3.25Å; A572-F576 PolarHBondContact O-N 3.42Å; A572-L598 HydrophobicContact CB-CD1 3.77Å
573	R	82.8	Confident	75.1	Confident	36 Å²	36	61.7 Å²	61.7	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-43.7	178.9	-66.7	161	169.3	154.2	2.2	111.5	L569 E570 R571 L575 F576 E577 Y595 E599	L569-R573 WeakPolarHBondContact O-CD 3.49Å; L569-R573 WeakPolarHBondContact O-CG 3.45Å; L569-R573 PolarHBondContact O-N 3.48Å; E570-R573 WeakPolarHBondContact O-CB 3.33Å; E570-R573 PolarHBondContact O-N 2.83Å; R571-R573 VanDerWaalsContact C-N 3.33Å; R571-R573 PolarHBondContact O-N 2.9Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 3.44Å; R573-F576 PolarHBondContact O-N 3.18Å; R573-E577 WeakPolarHBondContact O-CB 3.25Å; R573-E577 WeakPolarHBondContact O-CG 3.43Å; R573-E577 PolarHBondContact O-N 3.32Å; R573-Y595 WeakPolarHBondContact CA-OH 3.22Å; R573-Y595 HydrophobicContact CB-CE2 4.39Å; R573-Y595 WeakPolarHBondContact CB-OH 3.4Å; R573-Y595 HydrophobicContact CG-CE2 4.04Å; R573-Y595 PolarHBondContact O-OH 3.36Å; R573-E599 WeakPolarHBondContact CG-OE1 3.18Å; R573-E599 IonicContact CZ-OE1 3.43Å; R573-E599 IonicContact CZ-OE2 3.16Å; R573-E599 IonicContact NE-OE1 3.55Å; R573-E599 PolarHBondContact NE-OE1 2.85Å; R573-E599 IonicContact NE-OE2 2.75Å; R573-E599 IonicContact NH2-OE1 3.56Å; R573-E599 PolarHBondContact NH2-OE1 2.89Å; R573-E599 IonicContact NH2-OE2 2.72Å; R573-E599 PolarHBondContact NH2-OE2 3.33Å
574	D	84.6	Confident	75.1	Confident	89 Å²	89	58.7 Å²	58.7	48%	0.476	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-42.1	176.1	-58.6	-25.1	0	0	0	111.6	E570 R571 E577 Q578	E570-D574 PolarHBondContact O-N 3.4Å; R571-D574 PolarHBondContact O-N 2.92Å; D574-E577 PolarHBondContact O-N 3.38Å; D574-Q578 WeakPolarHBondContact O-CB 3.3Å; D574-Q578 VanDerWaalsContact O-CG 3.25Å; D574-Q578 WeakPolarHBondContact O-CG 3.49Å; D574-Q578 PolarHBondContact O-N 2.79Å; D574-Q578 PolarHBondContact O-NE2 2.83Å
575	L	82.5	Confident	74.9	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-44	176.7	-69.5	170.1	0	0	0	112.1	W553 Y556 L557 F560 R571 A572 R573 E577 C579	W553-L575 HydrophobicContact CH2-CD2 4.46Å; W553-L575 HydrophobicContact CZ3-CB 4.37Å; W553-L575 HydrophobicContact CZ3-CD2 4.32Å; Y556-L575 HydrophobicContact CE1-CD1 4.24Å; Y556-L575 HydrophobicContact CE1-CD2 3.7Å; Y556-L575 HydrophobicContact CE2-CD1 4.12Å; Y556-L575 WeakPolarHBondContact OH-CD1 3.41Å; Y556-L575 WeakPolarHBondContact OH-CD2 3.29Å; L557-L575 HydrophobicContact CD2-CB 4.21Å; F560-L575 HydrophobicContact CD2-CD1 3.76Å; F560-L575 HydrophobicContact CE2-CD1 3.72Å; F560-L575 HydrophobicContact CG-CD1 4.27Å; F560-L575 HydrophobicContact CZ-CD1 4.22Å; R571-L575 HydrophobicContact CG-CD1 4.12Å; R571-L575 HydrophobicContact CG-CG 4.4Å; R571-L575 VanDerWaalsContact O-CG 3.25Å; R571-L575 WeakPolarHBondContact O-CG 3.42Å; R571-L575 PolarHBondContact O-N 3.26Å; A572-L575 PolarHBondContact O-N 3.48Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 3.44Å; L575-E577 VanDerWaalsContact C-N 3.33Å; L575-E577 PolarHBondContact O-N 2.74Å; L575-C579 WeakPolarHBondContact O-CB 3.47Å; L575-C579 PolarHBondContact O-N 2.63Å
576	F	80.6	Confident	75.2	Confident	2 Å²	2	66 Å²	66	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-38.4	173.8	-88.5	-72.5	0	0	0	112	L557 I561 A572 R573 C579 L580 L591 L594 Y595 L598	L557-F576 HydrophobicContact CB-CE1 4.42Å; L557-F576 HydrophobicContact CB-CZ 4.03Å; L557-F576 HydrophobicContact CD1-CD1 4.06Å; L557-F576 HydrophobicContact CD1-CE1 3.73Å; L557-F576 HydrophobicContact CD1-CZ 4.17Å; L557-F576 HydrophobicContact CD2-CD1 4.23Å; L557-F576 HydrophobicContact CD2-CD2 4.03Å; L557-F576 HydrophobicContact CD2-CE1 4.12Å; L557-F576 HydrophobicContact CD2-CE2 3.87Å; L557-F576 HydrophobicContact CD2-CG 4.19Å; L557-F576 HydrophobicContact CD2-CZ 3.93Å; L557-F576 HydrophobicContact CG-CE1 4.31Å; L557-F576 HydrophobicContact CG-CZ 4.26Å; I561-F576 HydrophobicContact CD1-CE2 4.36Å; I561-F576 HydrophobicContact CD1-CZ 4.14Å; A572-F576 VanDerWaalsContact O-CD2 3.29Å; A572-F576 WeakPolarHBondContact O-CD2 3.25Å; A572-F576 PolarHBondContact O-N 3.42Å; R573-F576 PolarHBondContact O-N 3.18Å; F576-C579 PolarHBondContact O-N 2.96Å; F576-L580 WeakPolarHBondContact O-CB 3.35Å; F576-L580 WeakPolarHBondContact O-CG 3.36Å; F576-L580 PolarHBondContact O-N 3.41Å; F576-L591 WeakPolarHBondContact CE1-O 3.39Å; F576-L594 HydrophobicContact CE1-CB 4.04Å; F576-L594 HydrophobicContact CZ-CB 4.02Å; F576-Y595 HydrophobicContact CB-CD1 3.83Å; F576-Y595 HydrophobicContact CB-CD2 3.72Å; F576-Y595 HydrophobicContact CB-CE1 3.8Å; F576-Y595 HydrophobicContact CB-CE2 3.7Å; F576-Y595 HydrophobicContact CB-CG 3.77Å; F576-Y595 HydrophobicContact CD1-CD1 4.35Å; F576-Y595 HydrophobicContact CD1-CD2 4.15Å; F576-Y595 AromaticContact CD1-CG 3.79Å; F576-Y595 HydrophobicContact CD1-CG 3.79Å; F576-Y595 AromaticContact CD2-CD2 3.59Å; F576-Y595 HydrophobicContact CD2-CD2 3.59Å; F576-Y595 HydrophobicContact CD2-CE2 4.03Å; F576-Y595 HydrophobicContact CD2-CG 4.11Å; F576-Y595 HydrophobicContact CE1-CG 4.41Å; F576-Y595 HydrophobicContact CE2-CD2 4.26Å; F576-Y595 HydrophobicContact CG-CD1 4.17Å; F576-Y595 AromaticContact CG-CD2 3.54Å; F576-Y595 HydrophobicContact CG-CD2 3.54Å; F576-Y595 AromaticContact CG-CE2 4Å; F576-Y595 HydrophobicContact CG-CE2 4Å; F576-Y595 AromaticContact CG-CG 3.62Å; F576-Y595 HydrophobicContact CG-CG 3.62Å; F576-L598 HydrophobicContact CD2-CD1 4.18Å; F576-L598 HydrophobicContact CE2-CD1 3.6Å
577	E	81.7	Confident	75.1	Confident	61 Å²	61	68.8 Å²	68.8	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-71.8	-41.2	179.5	-75.3	171.9	-144.5	0	0	111.9	R573 D574 L575 C579 L580 E581 Y595 R607	R573-E577 WeakPolarHBondContact O-CB 3.25Å; R573-E577 WeakPolarHBondContact O-CG 3.43Å; R573-E577 PolarHBondContact O-N 3.32Å; D574-E577 PolarHBondContact O-N 3.38Å; L575-E577 VanDerWaalsContact C-N 3.33Å; L575-E577 PolarHBondContact O-N 2.74Å; E577-C579 VanDerWaalsContact C-N 3.3Å; E577-C579 PolarHBondContact O-N 3.32Å; E577-L580 PolarHBondContact O-N 3.37Å; E577-E581 WeakPolarHBondContact O-CG 3.46Å; E577-E581 PolarHBondContact O-N 3.37Å; E577-Y595 HydrophobicContact CG-CE1 4.27Å; E577-Y595 PolarHBondContact OE1-OH 3.14Å; E577-R607 IonicContact OE1-CZ 2.94Å; E577-R607 IonicContact OE1-NH1 3.68Å; E577-R607 IonicContact OE1-NH2 3.49Å; E577-R607 PolarHBondContact OE1-NH2 2.87Å
578	Q	81	Confident	75	Confident	100 Å²	100	62.1 Å²	62.1	47%	0.467	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-36.5	170.1	-74.1	172.9	49.6	0	0	113.4	W553 D574	W553-Q578 HydrophobicContact CH2-CB 4.34Å; D574-Q578 WeakPolarHBondContact O-CB 3.3Å; D574-Q578 VanDerWaalsContact O-CG 3.25Å; D574-Q578 WeakPolarHBondContact O-CG 3.49Å; D574-Q578 PolarHBondContact O-N 2.79Å; D574-Q578 PolarHBondContact O-NE2 2.83Å
579	C	74.5	Confident	74.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.1	-48.1	175.1	-172.4	0	0	0	0	110.9	W553 L575 F576 E577 K582 C583	W553-C579 VanDerWaalsContact CD1-SG 3.53Å; W553-C579 HydrophobicContact CD2-CB 3.85Å; W553-C579 VanDerWaalsContact CD2-SG 3.58Å; W553-C579 HydrophobicContact CE3-CB 4.1Å; W553-C579 HydrophobicContact CG-CB 4.35Å; W553-C579 HydrophobicContact CH2-CB 4.14Å; W553-C579 HydrophobicContact CZ2-CB 3.88Å; W553-C579 HydrophobicContact CZ3-CB 4.25Å; L575-C579 WeakPolarHBondContact O-CB 3.47Å; L575-C579 PolarHBondContact O-N 2.63Å; F576-C579 PolarHBondContact O-N 2.96Å; E577-C579 VanDerWaalsContact C-N 3.3Å; E577-C579 PolarHBondContact O-N 3.32Å; C579-K582 PolarHBondContact O-N 3.48Å; C579-C583 WeakPolarHBondContact O-CB 3.33Å; C579-C583 PolarHBondContact O-N 3.01Å
580	L	71.8	Confident	75	Confident	16 Å²	16	60.3 Å²	60.3	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-71.1	-28.8	-176.8	-71.1	172.2	0	0	0	114.1	F576 E577 K582 C583 L591 Y595	F576-L580 WeakPolarHBondContact O-CB 3.35Å; F576-L580 WeakPolarHBondContact O-CG 3.36Å; F576-L580 PolarHBondContact O-N 3.41Å; E577-L580 PolarHBondContact O-N 3.37Å; L580-K582 PolarHBondContact O-N 3.4Å; L580-C583 PolarHBondContact O-N 2.84Å; L580-L591 HydrophobicContact CD2-CB 4.26Å; L580-Y595 HydrophobicContact CD1-CD1 3.76Å; L580-Y595 HydrophobicContact CD1-CE1 4.08Å
581	E	75.4	Confident	74.8	Confident	147 Å²	147	53.5 Å²	53.5	69%	0.687	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.6	173.7	-85	-177.3	176.8	0	0	113.5	E577	E577-E581 WeakPolarHBondContact O-CG 3.46Å; E577-E581 PolarHBondContact O-N 3.37Å
582	K	67.3	Low	74.7	Confident	145 Å²	145	50.3 Å²	50.3	63%	0.63	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-4	-174.4	-63.4	171.4	-174.1	164.5	0	113	W546 C579 L580	W546-K582 HydrophobicContact CZ2-CB 4.46Å; W546-K582 PolarHBondContact NE1-O 2.66Å; C579-K582 PolarHBondContact O-N 3.48Å; L580-K582 PolarHBondContact O-N 3.4Å
583	C	63.7	Low	74.7	Confident	23 Å²	23	51.5 Å²	51.5	16%	0.155	25%	0.253	C	S	.	.			trans	-75.9	125.9	-169.2	-172.5	0	0	0	0	112.5	W546 C579 L580 L591	W546-C583 HydrophobicContact CH2-CB 3.99Å; W546-C583 HydrophobicContact CZ2-CB 3.99Å; C579-C583 WeakPolarHBondContact O-CB 3.33Å; C579-C583 PolarHBondContact O-N 3.01Å; L580-C583 PolarHBondContact O-N 2.84Å; C583-L591 HydrophobicContact CB-CD1 4.48Å
584	P	71.8	Confident	74.6	Confident	46 Å²	46	52.1 Å²	52.1	30%	0.299	26%	0.259	S	S	.	.			trans	-69.4	149.6	167.1	30.6	-34.3	0	0	0	110.6	W546 K586 Y587	W546-P584 HydrophobicContact CD2-CG 4.36Å; W546-P584 HydrophobicContact CE3-CG 4.4Å; W546-P584 HydrophobicContact CG-CG 4.43Å; P584-K586 PolarHBondContact O-N 3.4Å; P584-Y587 HydrophobicContact CG-CD2 4.06Å; P584-Y587 PolarHBondContact O-N 3.27Å
585	P	66.9	Low	74.4	Confident	62 Å²	62	48 Å²	48	40%	0.403	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-22.6	-168.6	24.7	-35.7	0	0	0	114.2	Y587 A588 A618 L620	P585-Y587 VanDerWaalsContact C-N 3.29Å; P585-Y587 PolarHBondContact O-N 3.17Å; P585-A588 PolarHBondContact O-N 3.08Å; P585-A618 WeakPolarHBondContact CB-O 3.44Å; P585-L620 HydrophobicContact CB-CD2 4.27Å; P585-L620 HydrophobicContact CB-CG 4.28Å; P585-L620 HydrophobicContact CG-CD2 4.25Å
586	K	66.9	Low	74.2	Confident	157 Å²	157	47.8 Å²	47.8	68%	0.683	24%	0.235	S	C	*	.	H	α-helix	trans	-60.8	-30.2	177.1	-72.7	-176.7	174.7	-170.4	0	114.4	P584 L620	P584-K586 PolarHBondContact O-N 3.4Å; K586-L620 HydrophobicContact CG-CD1 3.98Å
587	Y	63.8	Low	74.2	Confident	87 Å²	87	54.4 Å²	54.4	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-109.1	-8.4	-178.3	-61.5	-58.7	0	0	0	113.1	W546 P547 Y550 P584 P585 K589 A590	W546-Y587 HydrophobicContact CE3-CD2 4.47Å; P547-Y587 HydrophobicContact CB-CE2 4.19Å; Y550-Y587 HydrophobicContact CD1-CD1 4.42Å; Y550-Y587 HydrophobicContact CD2-CD1 4.1Å; Y550-Y587 AromaticContact CD2-CG 3.92Å; Y550-Y587 HydrophobicContact CD2-CG 3.92Å; Y550-Y587 HydrophobicContact CE2-CD1 4.21Å; Y550-Y587 HydrophobicContact CE2-CG 4.32Å; Y550-Y587 HydrophobicContact CG-CD1 4.19Å; Y550-Y587 HydrophobicContact CG-CG 4.2Å; P584-Y587 HydrophobicContact CG-CD2 4.06Å; P584-Y587 PolarHBondContact O-N 3.27Å; P585-Y587 VanDerWaalsContact C-N 3.29Å; P585-Y587 PolarHBondContact O-N 3.17Å; Y587-K589 VanDerWaalsContact C-N 3.3Å; Y587-K589 PolarHBondContact O-N 3.49Å; Y587-A590 PolarHBondContact O-N 2.93Å
588	A	69	Low	74	Confident	3 Å²	3	51.8 Å²	51.8	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-35	-175.6	0	0	0	0	0	112.7	P585 A590 L591 H592	P585-A588 PolarHBondContact O-N 3.08Å; A588-A590 PolarHBondContact O-N 3.05Å; A588-L591 PolarHBondContact O-N 3.44Å; A588-H592 WeakPolarHBondContact O-CB 3.47Å; A588-H592 PolarHBondContact O-CD2 3.44Å; A588-H592 PolarHBondContact O-N 3.4Å
589	K	71.6	Confident	73.9	Confident	36 Å²	36	47.1 Å²	47.1	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-54.1	-49.4	-179.7	-178.6	176	-178.5	-171.7	0	113	Y587 L593 V619 E623 E626 M627	Y587-K589 VanDerWaalsContact C-N 3.3Å; Y587-K589 PolarHBondContact O-N 3.49Å; K589-L593 HydrophobicContact CG-CD1 4.03Å; K589-L593 WeakPolarHBondContact O-CB 3.43Å; K589-L593 VanDerWaalsContact O-CG 3.23Å; K589-L593 WeakPolarHBondContact O-CG 3.2Å; K589-L593 PolarHBondContact O-N 3.48Å; K589-V619 HydrophobicContact CB-CG2 4.12Å; K589-E623 HydrophobicContact CD-CB 4.33Å; K589-E623 HydrophobicContact CD-CG 4.43Å; K589-E623 WeakPolarHBondContact CD-OE1 3.43Å; K589-E623 WeakPolarHBondContact CD-OE2 3.4Å; K589-E623 WeakPolarHBondContact CE-OE1 3.23Å; K589-E623 IonicContact NZ-OE1 3.75Å; K589-E623 PolarHBondContact NZ-OE1 3.05Å; K589-E626 IonicContact NZ-OE2 3.48Å; K589-E626 PolarHBondContact NZ-OE2 3.47Å; K589-M627 HydrophobicContact CG-SD 3.95Å
590	A	77	Confident	74.1	Confident	34 Å²	34	49.3 Å²	49.3	28%	0.281	24%	0.237	S	C	.	.	H	α-helix	trans	-65.8	-45.1	-179.3	0	0	0	0	0	111.8	Y550 Y587 A588 L593 L594	Y550-A590 HydrophobicContact CE2-CB 4.33Å; Y550-A590 VanDerWaalsContact OH-CB 3.3Å; Y550-A590 WeakPolarHBondContact OH-CB 3.13Å; Y587-A590 PolarHBondContact O-N 2.93Å; A588-A590 PolarHBondContact O-N 3.05Å; A590-L593 PolarHBondContact O-N 2.92Å; A590-L594 WeakPolarHBondContact O-CG 3.29Å; A590-L594 PolarHBondContact O-N 3.5Å
591	L	76.6	Confident	74.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-42.4	-179.9	-65.6	164.4	0	0	0	111.9	W546 Y550 L557 F576 L580 C583 A588 L594 Y595	W546-L591 HydrophobicContact CH2-CD1 4.16Å; Y550-L591 HydrophobicContact CD2-CD1 4.38Å; Y550-L591 HydrophobicContact CE2-CD1 4.49Å; Y550-L591 HydrophobicContact CE2-CG 4.31Å; L557-L591 HydrophobicContact CD1-CD2 3.66Å; F576-L591 WeakPolarHBondContact CE1-O 3.39Å; L580-L591 HydrophobicContact CD2-CB 4.26Å; C583-L591 HydrophobicContact CB-CD1 4.48Å; A588-L591 PolarHBondContact O-N 3.44Å; L591-L594 PolarHBondContact O-N 3.34Å; L591-Y595 WeakPolarHBondContact O-CB 3.34Å; L591-Y595 PolarHBondContact O-N 3.39Å
592	H	78.5	Confident	74.1	Confident	4 Å²	4	51 Å²	51	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-40.6	173.8	-81.9	-64.6	0	0	0	112.8	A588 L594 Y595 A596 A615 A618	A588-H592 WeakPolarHBondContact O-CB 3.47Å; A588-H592 PolarHBondContact O-CD2 3.44Å; A588-H592 PolarHBondContact O-N 3.4Å; H592-L594 VanDerWaalsContact C-N 3.35Å; H592-Y595 PolarHBondContact O-N 3.39Å; H592-A596 VanDerWaalsContact O-CB 3.29Å; H592-A596 WeakPolarHBondContact O-CB 3.49Å; H592-A596 PolarHBondContact O-N 2.99Å; H592-A615 HydrophobicContact CB-CB 3.57Å; H592-A618 WeakPolarHBondContact NE2-CB 3.42Å
593	L	81.1	Confident	74.2	Confident	29 Å²	29	45.4 Å²	45.4	15%	0.152	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-33.7	176.8	-71.9	171.3	0	0	0	112.2	K589 A590 R597 Y612 M627 I630	K589-L593 HydrophobicContact CG-CD1 4.03Å; K589-L593 WeakPolarHBondContact O-CB 3.43Å; K589-L593 VanDerWaalsContact O-CG 3.23Å; K589-L593 WeakPolarHBondContact O-CG 3.2Å; K589-L593 PolarHBondContact O-N 3.48Å; A590-L593 PolarHBondContact O-N 2.92Å; L593-R597 WeakPolarHBondContact O-CB 3.41Å; L593-R597 WeakPolarHBondContact O-CD 3.33Å; L593-R597 WeakPolarHBondContact O-CG 3.18Å; L593-R597 PolarHBondContact O-N 3.11Å; L593-R597 VanDerWaalsContact O-N 3.11Å; L593-Y612 HydrophobicContact CD2-CE1 4.22Å; L593-M627 HydrophobicContact CD1-SD 4.32Å; L593-M627 HydrophobicContact CD2-CE 3.96Å; L593-M627 HydrophobicContact CD2-SD 4.18Å; L593-M627 HydrophobicContact CG-CE 4.23Å; L593-M627 HydrophobicContact CG-SD 4.28Å; L593-I630 HydrophobicContact CD2-CD1 4Å; L593-I630 HydrophobicContact CD2-CG2 4.23Å
594	L	79.7	Confident	74.9	Confident	49 Å²	49	50.2 Å²	50.2	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-67.5	-45.5	170.7	-72.5	165.2	0	0	0	111.5	F576 A590 L591 H592 A596 R597 L598	F576-L594 HydrophobicContact CE1-CB 4.04Å; F576-L594 HydrophobicContact CZ-CB 4.02Å; A590-L594 WeakPolarHBondContact O-CG 3.29Å; A590-L594 PolarHBondContact O-N 3.5Å; L591-L594 PolarHBondContact O-N 3.34Å; H592-L594 VanDerWaalsContact C-N 3.35Å; L594-A596 PolarHBondContact O-N 3.46Å; L594-R597 PolarHBondContact O-N 3.34Å; L594-L598 PolarHBondContact O-N 3.01Å
595	Y	80.4	Confident	75	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-44.1	178.9	-166.8	-168.1	0	0	0	111.9	R573 F576 E577 L580 L591 H592 L598 E599 R607 I611	R573-Y595 WeakPolarHBondContact CA-OH 3.22Å; R573-Y595 HydrophobicContact CB-CE2 4.39Å; R573-Y595 WeakPolarHBondContact CB-OH 3.4Å; R573-Y595 HydrophobicContact CG-CE2 4.04Å; R573-Y595 PolarHBondContact O-OH 3.36Å; F576-Y595 HydrophobicContact CB-CD1 3.83Å; F576-Y595 HydrophobicContact CB-CD2 3.72Å; F576-Y595 HydrophobicContact CB-CE1 3.8Å; F576-Y595 HydrophobicContact CB-CE2 3.7Å; F576-Y595 HydrophobicContact CB-CG 3.77Å; F576-Y595 HydrophobicContact CD1-CD1 4.35Å; F576-Y595 HydrophobicContact CD1-CD2 4.15Å; F576-Y595 AromaticContact CD1-CG 3.79Å; F576-Y595 HydrophobicContact CD1-CG 3.79Å; F576-Y595 AromaticContact CD2-CD2 3.59Å; F576-Y595 HydrophobicContact CD2-CD2 3.59Å; F576-Y595 HydrophobicContact CD2-CE2 4.03Å; F576-Y595 HydrophobicContact CD2-CG 4.11Å; F576-Y595 HydrophobicContact CE1-CG 4.41Å; F576-Y595 HydrophobicContact CE2-CD2 4.26Å; F576-Y595 HydrophobicContact CG-CD1 4.17Å; F576-Y595 AromaticContact CG-CD2 3.54Å; F576-Y595 HydrophobicContact CG-CD2 3.54Å; F576-Y595 AromaticContact CG-CE2 4Å; F576-Y595 HydrophobicContact CG-CE2 4Å; F576-Y595 AromaticContact CG-CG 3.62Å; F576-Y595 HydrophobicContact CG-CG 3.62Å; E577-Y595 HydrophobicContact CG-CE1 4.27Å; E577-Y595 PolarHBondContact OE1-OH 3.14Å; L580-Y595 HydrophobicContact CD1-CD1 3.76Å; L580-Y595 HydrophobicContact CD1-CE1 4.08Å; L591-Y595 WeakPolarHBondContact O-CB 3.34Å; L591-Y595 PolarHBondContact O-N 3.39Å; H592-Y595 PolarHBondContact O-N 3.39Å; Y595-L598 WeakPolarHBondContact O-CB 3.49Å; Y595-L598 PolarHBondContact O-N 3.3Å; Y595-E599 HydrophobicContact CD2-CG 4.3Å; Y595-E599 HydrophobicContact CE2-CG 4.27Å; Y595-E599 PolarHBondContact O-N 3.39Å; Y595-E599 VanDerWaalsContact O-N 3.15Å; Y595-R607 PolarHBondContact OH-NH1 3.31Å; Y595-I611 HydrophobicContact CD1-CD1 3.86Å; Y595-I611 HydrophobicContact CD1-CG1 4.03Å; Y595-I611 HydrophobicContact CD1-CG2 3.77Å; Y595-I611 HydrophobicContact CD2-CD1 3.99Å; Y595-I611 HydrophobicContact CE1-CD1 3.75Å; Y595-I611 HydrophobicContact CE1-CG1 3.96Å; Y595-I611 HydrophobicContact CE2-CD1 3.86Å; Y595-I611 HydrophobicContact CG-CD1 4.02Å; Y595-I611 HydrophobicContact CG-CG2 4.06Å
596	A	79.3	Confident	75.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-42.1	178.2	0	0	0	0	0	111.8	H592 L594 L598 E599 E600 I611 Y612	H592-A596 VanDerWaalsContact O-CB 3.29Å; H592-A596 WeakPolarHBondContact O-CB 3.49Å; H592-A596 PolarHBondContact O-N 2.99Å; L594-A596 PolarHBondContact O-N 3.46Å; A596-L598 VanDerWaalsContact C-N 3.35Å; A596-L598 PolarHBondContact O-N 3.46Å; A596-E599 CarbonylContact O-C 3.55Å; A596-E599 PolarHBondContact O-N 3.29Å; A596-E599 VanDerWaalsContact O-N 3.13Å; A596-E600 WeakPolarHBondContact O-CG 3.42Å; A596-E600 PolarHBondContact O-N 3.18Å; A596-I611 HydrophobicContact CB-CG2 4.06Å; A596-Y612 HydrophobicContact CB-CD1 4.16Å; A596-Y612 HydrophobicContact CB-CD2 4.26Å; A596-Y612 HydrophobicContact CB-CE1 3.62Å; A596-Y612 HydrophobicContact CB-CE2 3.74Å; A596-Y612 HydrophobicContact CB-CG 4.44Å
597	R	79.6	Confident	76.1	Confident	141 Å²	141	52.2 Å²	52.2	53%	0.532	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-40.3	174.6	-77	171.2	-176.7	178.4	3.3	112.9	L593 L594 E599 E600 Q601	L593-R597 WeakPolarHBondContact O-CB 3.41Å; L593-R597 WeakPolarHBondContact O-CD 3.33Å; L593-R597 WeakPolarHBondContact O-CG 3.18Å; L593-R597 PolarHBondContact O-N 3.11Å; L593-R597 VanDerWaalsContact O-N 3.11Å; L594-R597 PolarHBondContact O-N 3.34Å; R597-E599 VanDerWaalsContact C-N 3.3Å; R597-E599 PolarHBondContact O-N 2.96Å; R597-E600 PolarHBondContact O-N 3.39Å; R597-Q601 WeakPolarHBondContact O-CB 3.41Å; R597-Q601 WeakPolarHBondContact O-CG 3.29Å; R597-Q601 PolarHBondContact O-N 3.33Å
598	L	78.3	Confident	76.9	Confident	6 Å²	6	48 Å²	48	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-44.4	174.2	-173.5	167.2	0	0	0	110.6	I561 L569 A572 F576 L594 Y595 A596 Q601 H602	I561-L598 HydrophobicContact CD1-CB 4.48Å; I561-L598 HydrophobicContact CD1-CD1 4.23Å; I561-L598 HydrophobicContact CG1-CD1 3.76Å; I561-L598 HydrophobicContact CG1-CG 4.37Å; L569-L598 HydrophobicContact CD2-CD2 3.51Å; A572-L598 HydrophobicContact CB-CD1 3.77Å; F576-L598 HydrophobicContact CD2-CD1 4.18Å; F576-L598 HydrophobicContact CE2-CD1 3.6Å; L594-L598 PolarHBondContact O-N 3.01Å; Y595-L598 WeakPolarHBondContact O-CB 3.49Å; Y595-L598 PolarHBondContact O-N 3.3Å; A596-L598 VanDerWaalsContact C-N 3.35Å; A596-L598 PolarHBondContact O-N 3.46Å; L598-Q601 PolarHBondContact O-N 2.96Å; L598-H602 PolarHBondContact O-N 3.07Å
599	E	79.2	Confident	77.5	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-78.2	-18.2	-179.6	-67.2	-95.7	-155.2	0	0	113.9	R573 Y595 A596 R597 G603 R607 A608 I611	R573-E599 WeakPolarHBondContact CG-OE1 3.18Å; R573-E599 IonicContact CZ-OE1 3.43Å; R573-E599 IonicContact CZ-OE2 3.16Å; R573-E599 IonicContact NE-OE1 3.55Å; R573-E599 PolarHBondContact NE-OE1 2.85Å; R573-E599 IonicContact NE-OE2 2.75Å; R573-E599 IonicContact NH2-OE1 3.56Å; R573-E599 PolarHBondContact NH2-OE1 2.89Å; R573-E599 IonicContact NH2-OE2 2.72Å; R573-E599 PolarHBondContact NH2-OE2 3.33Å; Y595-E599 HydrophobicContact CD2-CG 4.3Å; Y595-E599 HydrophobicContact CE2-CG 4.27Å; Y595-E599 PolarHBondContact O-N 3.39Å; Y595-E599 VanDerWaalsContact O-N 3.15Å; A596-E599 CarbonylContact O-C 3.55Å; A596-E599 PolarHBondContact O-N 3.29Å; A596-E599 VanDerWaalsContact O-N 3.13Å; R597-E599 VanDerWaalsContact C-N 3.3Å; R597-E599 PolarHBondContact O-N 2.96Å; E599-G603 CarbonylContact O-C 3.58Å; E599-G603 WeakPolarHBondContact O-CA 3.4Å; E599-G603 PolarHBondContact O-N 3.15Å; E599-G603 VanDerWaalsContact O-N 3.07Å; E599-G603 WeakPolarHBondContact OE2-CA 3.41Å; E599-R607 VanDerWaalsContact OE1-CD 3.24Å; E599-R607 WeakPolarHBondContact OE1-CD 3.19Å; E599-R607 IonicContact OE1-CZ 2.85Å; E599-R607 IonicContact OE1-NE 3.44Å; E599-R607 IonicContact OE1-NH1 2.67Å; E599-R607 PolarHBondContact OE1-NH1 3.47Å; E599-A608 HydrophobicContact CB-CB 4.04Å; E599-I611 HydrophobicContact CB-CD1 4.24Å; E599-I611 HydrophobicContact CG-CD1 3.64Å
600	E	77.3	Confident	78.1	Confident	46 Å²	46	55.8 Å²	55.8	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-73.4	-40.8	165.3	-74	-178.7	159.8	0	0	112	A596 R597 A608 Y612 R634	A596-E600 WeakPolarHBondContact O-CG 3.42Å; A596-E600 PolarHBondContact O-N 3.18Å; R597-E600 PolarHBondContact O-N 3.39Å; E600-A608 HydrophobicContact CG-CB 4.39Å; E600-Y612 PolarHBondContact OE1-OH 3.05Å; E600-Y612 VanDerWaalsContact OE1-OH 3.06Å; E600-R634 WeakPolarHBondContact OE1-CD 3.47Å; E600-R634 WeakPolarHBondContact OE1-CG 3.39Å; E600-R634 IonicContact OE1-CZ 3.34Å; E600-R634 IonicContact OE1-NE 2.73Å; E600-R634 PolarHBondContact OE1-NE 2.88Å; E600-R634 IonicContact OE1-NH2 3.83Å; E600-R634 IonicContact OE2-CZ 3.33Å; E600-R634 IonicContact OE2-NE 3.64Å; E600-R634 PolarHBondContact OE2-NE 3.27Å; E600-R634 IonicContact OE2-NH2 2.65Å; E600-R634 PolarHBondContact OE2-NH2 3.42Å
601	Q	78.4	Confident	78.3	Confident	132 Å²	132	54.6 Å²	54.6	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-80.4	-33.1	-175.1	-72.5	176.1	-19.1	0	0	113.5	R597 L598	R597-Q601 WeakPolarHBondContact O-CB 3.41Å; R597-Q601 WeakPolarHBondContact O-CG 3.29Å; R597-Q601 PolarHBondContact O-N 3.33Å; L598-Q601 PolarHBondContact O-N 2.96Å
602	H	69.2	Low	78.6	Confident	68 Å²	68	54.9 Å²	54.9	32%	0.315	25%	0.249	S	C	.	.	S	Bend	trans	-136	-7.8	-171.5	-51.7	-57.7	0	0	0	113.9	G565 L569 L598	G565-H602 WeakPolarHBondContact CA-NE2 3.41Å; G565-H602 PolarHBondContact O-CE1 3.13Å; G565-H602 PolarHBondContact O-ND1 3.34Å; L569-H602 HydrophobicContact CD1-CB 4.1Å; L569-H602 VanDerWaalsContact CD1-O 3.22Å; L569-H602 WeakPolarHBondContact CD1-O 3.4Å; L569-H602 HydrophobicContact CD2-CB 3.62Å; L569-H602 HydrophobicContact CG-CB 4.42Å; L598-H602 PolarHBondContact O-N 3.07Å
603	G	70.4	Confident	78.7	Confident	27 Å²	27	57.5 Å²	57.5	28%	0.278	26%	0.262	S	S	.	.	S	Bend	trans	-94.2	-169	-169.9	0	0	0	0	0	114.8	E599	E599-G603 CarbonylContact O-C 3.58Å; E599-G603 WeakPolarHBondContact O-CA 3.4Å; E599-G603 PolarHBondContact O-N 3.15Å; E599-G603 VanDerWaalsContact O-N 3.07Å; E599-G603 WeakPolarHBondContact OE2-CA 3.41Å
604	L	77.7	Confident	78.7	Confident	123 Å²	123	61 Å²	61	64%	0.644	27%	0.273	S	S	*	.			trans	-94.1	127.7	167.4	-71.6	166.3	0	0	0	108	R606 R607 A608	L604-R606 PolarHBondContact O-N 3.38Å; L604-R607 HydrophobicContact CB-CB 4.43Å; L604-R607 WeakPolarHBondContact O-CA 3.42Å; L604-R607 WeakPolarHBondContact O-CB 3.05Å; L604-R607 PolarHBondContact O-N 3.06Å; L604-A608 PolarHBondContact O-N 3.36Å; L604-A608 VanDerWaalsContact O-N 3.14Å
605	A	74.1	Confident	78.6	Confident	32 Å²	32	58.7 Å²	58.7	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-51.6	-32	179.7	0	0	0	0	0	113.9	A608 I609 L638	A605-A608 PolarHBondContact O-N 2.91Å; A605-I609 WeakPolarHBondContact O-CG1 3.39Å; A605-I609 PolarHBondContact O-N 3.42Å; A605-L638 HydrophobicContact CB-CB 4.25Å; A605-L638 HydrophobicContact CB-CD1 4.39Å; A605-L638 HydrophobicContact CB-CD2 4.08Å; A605-L638 HydrophobicContact CB-CG 4.49Å
606	R	79	Confident	78.2	Confident	202 Å²	202	58.8 Å²	58.8	76%	0.762	26%	0.261	S	S	*	.	H	α-helix	trans	-65.6	-33	173.5	-66.2	-178	-179.7	174.7	0.4	113.6	L604 R610	L604-R606 PolarHBondContact O-N 3.38Å; R606-R610 PolarHBondContact O-N 2.92Å
607	R	78.4	Confident	78.1	Confident	73 Å²	73	63.8 Å²	63.8	28%	0.275	29%	0.285	S	S	.	.	H	α-helix	trans	-77.6	-38.6	176.8	-158.6	167.6	-166.6	-69.6	-3.6	110.6	E577 Y595 E599 L604 R610 I611	E577-R607 IonicContact OE1-CZ 2.94Å; E577-R607 IonicContact OE1-NH1 3.68Å; E577-R607 IonicContact OE1-NH2 3.49Å; E577-R607 PolarHBondContact OE1-NH2 2.87Å; Y595-R607 PolarHBondContact OH-NH1 3.31Å; E599-R607 VanDerWaalsContact OE1-CD 3.24Å; E599-R607 WeakPolarHBondContact OE1-CD 3.19Å; E599-R607 IonicContact OE1-CZ 2.85Å; E599-R607 IonicContact OE1-NE 3.44Å; E599-R607 IonicContact OE1-NH1 2.67Å; E599-R607 PolarHBondContact OE1-NH1 3.47Å; L604-R607 HydrophobicContact CB-CB 4.43Å; L604-R607 WeakPolarHBondContact O-CA 3.42Å; L604-R607 WeakPolarHBondContact O-CB 3.05Å; L604-R607 PolarHBondContact O-N 3.06Å; R607-R610 PolarHBondContact O-N 3.25Å; R607-I611 HydrophobicContact CG-CD1 4.23Å; R607-I611 WeakPolarHBondContact O-CD1 3.28Å; R607-I611 VanDerWaalsContact O-CG1 3.27Å; R607-I611 WeakPolarHBondContact O-CG1 3.09Å; R607-I611 PolarHBondContact O-N 3.45Å
608	A	80.7	Confident	77.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.8	-47.6	169.7	0	0	0	0	0	111.8	E599 E600 L604 A605 R610 I611 Y612 L638	E599-A608 HydrophobicContact CB-CB 4.04Å; E600-A608 HydrophobicContact CG-CB 4.39Å; L604-A608 PolarHBondContact O-N 3.36Å; L604-A608 VanDerWaalsContact O-N 3.14Å; A605-A608 PolarHBondContact O-N 2.91Å; A608-R610 PolarHBondContact O-N 2.83Å; A608-I611 PolarHBondContact O-N 3.17Å; A608-I611 VanDerWaalsContact O-N 3.17Å; A608-Y612 VanDerWaalsContact O-CD2 3.24Å; A608-Y612 WeakPolarHBondContact O-CD2 3.4Å; A608-Y612 PolarHBondContact O-N 2.74Å; A608-L638 HydrophobicContact CB-CD1 4.23Å
609	I	81.6	Confident	77.3	Confident	22 Å²	22	58.7 Å²	58.7	11%	0.113	27%	0.274	C	S	.	.	H	α-helix	trans	-56	-51.9	173.7	-74.8	176.6	0	0	0	111.6	A605 I611 Y612 E613 Y631 I635 H639	A605-I609 WeakPolarHBondContact O-CG1 3.39Å; A605-I609 PolarHBondContact O-N 3.42Å; I609-I611 PolarHBondContact O-N 2.8Å; I609-Y612 WeakPolarHBondContact O-CA 3.38Å; I609-Y612 WeakPolarHBondContact O-CB 3.17Å; I609-Y612 PolarHBondContact O-N 2.66Å; I609-E613 PolarHBondContact O-N 3.45Å; I609-Y631 HydrophobicContact CG2-CE2 4.19Å; I609-I635 HydrophobicContact CD1-CG1 3.96Å; I609-I635 HydrophobicContact CG1-CG1 3.99Å; I609-H639 HydrophobicContact CD1-CB 4.37Å; I609-H639 WeakPolarHBondContact CD1-ND1 3.34Å
610	R	82.9	Confident	77	Confident	180 Å²	180	61.3 Å²	61.3	68%	0.679	29%	0.287	S	S	*	.	H	α-helix	trans	-58.8	-33.3	177.6	177.7	178.2	-76.5	-170.1	-5.1	113.2	R606 R607 A608 E613 R614	R606-R610 PolarHBondContact O-N 2.92Å; R607-R610 PolarHBondContact O-N 3.25Å; A608-R610 PolarHBondContact O-N 2.83Å; R610-E613 WeakPolarHBondContact CA-OE2 3.28Å; R610-R614 WeakPolarHBondContact O-CB 3.49Å; R610-R614 PolarHBondContact O-N 2.89Å
611	I	82.2	Confident	76.5	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.046	30%	0.302	C	S	.	.	H	α-helix	trans	-72.1	-38.3	176.7	-70.8	162.2	0	0	0	110.6	Y595 A596 E599 R607 A608 I609 A615	Y595-I611 HydrophobicContact CD1-CD1 3.86Å; Y595-I611 HydrophobicContact CD1-CG1 4.03Å; Y595-I611 HydrophobicContact CD1-CG2 3.77Å; Y595-I611 HydrophobicContact CD2-CD1 3.99Å; Y595-I611 HydrophobicContact CE1-CD1 3.75Å; Y595-I611 HydrophobicContact CE1-CG1 3.96Å; Y595-I611 HydrophobicContact CE2-CD1 3.86Å; Y595-I611 HydrophobicContact CG-CD1 4.02Å; Y595-I611 HydrophobicContact CG-CG2 4.06Å; A596-I611 HydrophobicContact CB-CG2 4.06Å; E599-I611 HydrophobicContact CB-CD1 4.24Å; E599-I611 HydrophobicContact CG-CD1 3.64Å; R607-I611 HydrophobicContact CG-CD1 4.23Å; R607-I611 WeakPolarHBondContact O-CD1 3.28Å; R607-I611 VanDerWaalsContact O-CG1 3.27Å; R607-I611 WeakPolarHBondContact O-CG1 3.09Å; R607-I611 PolarHBondContact O-N 3.45Å; A608-I611 PolarHBondContact O-N 3.17Å; A608-I611 VanDerWaalsContact O-N 3.17Å; I609-I611 PolarHBondContact O-N 2.8Å; I611-A615 VanDerWaalsContact O-CB 3.28Å; I611-A615 WeakPolarHBondContact O-CB 3.37Å; I611-A615 PolarHBondContact O-N 3.25Å
612	Y	82.6	Confident	76.1	Confident	6 Å²	6	64.8 Å²	64.8	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-65.1	-43.2	171.1	-76.7	-62.5	0	0	0	112.4	L593 A596 E600 A608 I609 A615 T616 I630 Y631 R634	L593-Y612 HydrophobicContact CD2-CE1 4.22Å; A596-Y612 HydrophobicContact CB-CD1 4.16Å; A596-Y612 HydrophobicContact CB-CD2 4.26Å; A596-Y612 HydrophobicContact CB-CE1 3.62Å; A596-Y612 HydrophobicContact CB-CE2 3.74Å; A596-Y612 HydrophobicContact CB-CG 4.44Å; E600-Y612 PolarHBondContact OE1-OH 3.05Å; E600-Y612 VanDerWaalsContact OE1-OH 3.06Å; A608-Y612 VanDerWaalsContact O-CD2 3.24Å; A608-Y612 WeakPolarHBondContact O-CD2 3.4Å; A608-Y612 PolarHBondContact O-N 2.74Å; I609-Y612 WeakPolarHBondContact O-CA 3.38Å; I609-Y612 WeakPolarHBondContact O-CB 3.17Å; I609-Y612 PolarHBondContact O-N 2.66Å; Y612-A615 WeakPolarHBondContact O-CB 3.35Å; Y612-A615 PolarHBondContact O-N 3.37Å; Y612-A615 VanDerWaalsContact O-N 3.12Å; Y612-T616 WeakPolarHBondContact O-CG2 3.42Å; Y612-T616 PolarHBondContact O-N 3.27Å; Y612-I630 HydrophobicContact CE1-CG2 3.78Å; Y612-Y631 HydrophobicContact CD2-CD2 4.5Å; Y612-Y631 HydrophobicContact CG-CD2 4.05Å; Y612-R634 HydrophobicContact CD2-CB 4.36Å; Y612-R634 HydrophobicContact CE2-CB 3.85Å; Y612-R634 HydrophobicContact CE2-CG 3.91Å
613	E	80.9	Confident	76.1	Confident	60 Å²	60	64 Å²	64	28%	0.28	31%	0.307	S	S	.	.	H	α-helix	trans	-53.8	-55.7	172.3	-70.7	178.9	129.1	0	0	110.8	I609 R610 A615 T616 E617 Y631 Q650	I609-E613 PolarHBondContact O-N 3.45Å; R610-E613 WeakPolarHBondContact CA-OE2 3.28Å; E613-A615 PolarHBondContact O-N 3.33Å; E613-T616 PolarHBondContact O-N 3.44Å; E613-T616 PolarHBondContact O-OG1 2.93Å; E613-E617 PolarHBondContact O-N 3.07Å; E613-Y631 HydrophobicContact CG-CE1 4.44Å; E613-Y631 HydrophobicContact CG-CE2 4.1Å; E613-Y631 WeakPolarHBondContact CG-OH 3.14Å; E613-Y631 PolarHBondContact OE1-OH 3.35Å; E613-Q650 PolarHBondContact OE1-NE2 2.84Å
614	R	81.5	Confident	76.3	Confident	103 Å²	103	66 Å²	66	39%	0.389	31%	0.306	S	S	.	.	H	α-helix	trans	-56.7	-35.9	176.4	-174.3	177.8	176.2	178.7	-0.8	112.3	R610 E617 A618	R610-R614 WeakPolarHBondContact O-CB 3.49Å; R610-R614 PolarHBondContact O-N 2.89Å; R614-E617 PolarHBondContact O-N 3.14Å; R614-A618 WeakPolarHBondContact O-CB 3.18Å; R614-A618 PolarHBondContact O-N 3.27Å
615	A	77.7	Confident	76.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.7	-38.9	176.8	0	0	0	0	0	112.6	H592 I611 Y612 E613 E617 A618 V619 M627	H592-A615 HydrophobicContact CB-CB 3.57Å; I611-A615 VanDerWaalsContact O-CB 3.28Å; I611-A615 WeakPolarHBondContact O-CB 3.37Å; I611-A615 PolarHBondContact O-N 3.25Å; Y612-A615 WeakPolarHBondContact O-CB 3.35Å; Y612-A615 PolarHBondContact O-N 3.37Å; Y612-A615 VanDerWaalsContact O-N 3.12Å; E613-A615 PolarHBondContact O-N 3.33Å; A615-E617 PolarHBondContact O-N 3.28Å; A615-A618 PolarHBondContact O-N 3.19Å; A615-V619 VanDerWaalsContact O-CB 3.28Å; A615-V619 WeakPolarHBondContact O-CB 3.27Å; A615-V619 WeakPolarHBondContact O-CG2 3.24Å; A615-V619 PolarHBondContact O-N 3.03Å; A615-V619 VanDerWaalsContact O-N 3.11Å; A615-M627 HydrophobicContact CB-CE 3.73Å
616	T	71.8	Confident	76.5	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-26.7	175.4	63.3	0	0	0	0	113.3	Y612 E613 R624 M627 F628 Y631	Y612-T616 WeakPolarHBondContact O-CG2 3.42Å; Y612-T616 PolarHBondContact O-N 3.27Å; E613-T616 PolarHBondContact O-N 3.44Å; E613-T616 PolarHBondContact O-OG1 2.93Å; T616-R624 PolarHBondContact O-NE 2.81Å; T616-M627 HydrophobicContact CG2-CB 4.27Å; T616-F628 HydrophobicContact CG2-CD1 3.89Å; T616-F628 HydrophobicContact CG2-CE1 3.7Å; T616-F628 HydrophobicContact CG2-CE2 4.34Å; T616-F628 HydrophobicContact CG2-CG 4.28Å; T616-F628 HydrophobicContact CG2-CZ 3.92Å; T616-Y631 HydrophobicContact CG2-CD1 4.28Å
617	E	77.4	Confident	76.3	Confident	105 Å²	105	56.1 Å²	56.1	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-84.7	-42.9	178.8	-62.1	-173.6	152.3	0	0	111.7	E613 R614 A615 V619 R624 R654	E613-E617 PolarHBondContact O-N 3.07Å; R614-E617 PolarHBondContact O-N 3.14Å; A615-E617 PolarHBondContact O-N 3.28Å; E617-V619 PolarHBondContact O-N 3.45Å; E617-R624 PolarHBondContact O-NH2 2.69Å; E617-R624 VanDerWaalsContact O-NH2 3.13Å; E617-R654 IonicContact OE1-CZ 3.61Å; E617-R654 IonicContact OE1-NE 3.44Å; E617-R654 PolarHBondContact OE1-NE 3.41Å; E617-R654 IonicContact OE1-NH2 2.68Å; E617-R654 PolarHBondContact OE1-NH2 3.33Å
618	A	71.5	Confident	76.4	Confident	39 Å²	39	52.6 Å²	52.6	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-72.7	-21.2	-178.8	0	0	0	0	0	114.8	P585 H592 R614 A615	P585-A618 WeakPolarHBondContact CB-O 3.44Å; H592-A618 WeakPolarHBondContact NE2-CB 3.42Å; R614-A618 WeakPolarHBondContact O-CB 3.18Å; R614-A618 PolarHBondContact O-N 3.27Å; A615-A618 PolarHBondContact O-N 3.19Å
619	V	68.7	Low	76.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	25%	0.254	C	S	.	.	S	Bend	trans	-85.1	149	-176.1	167.1	0	0	0	0	112.6	K589 A615 E617 E623 R624 M627	K589-V619 HydrophobicContact CB-CG2 4.12Å; A615-V619 VanDerWaalsContact O-CB 3.28Å; A615-V619 WeakPolarHBondContact O-CB 3.27Å; A615-V619 WeakPolarHBondContact O-CG2 3.24Å; A615-V619 PolarHBondContact O-N 3.03Å; A615-V619 VanDerWaalsContact O-N 3.11Å; E617-V619 PolarHBondContact O-N 3.45Å; V619-E623 HydrophobicContact CG1-CB 3.47Å; V619-E623 VanDerWaalsContact CG1-CB 3.47Å; V619-R624 PolarHBondContact O-NE 3.29Å; V619-R624 PolarHBondContact O-NH2 3.49Å; V619-M627 HydrophobicContact CB-CG 4.27Å; V619-M627 HydrophobicContact CG1-CG 3.92Å; V619-M627 HydrophobicContact CG2-CG 4.18Å
620	L	72.4	Confident	76.7	Confident	56 Å²	56	55.3 Å²	55.3	29%	0.293	26%	0.26	S	S	.	.			trans	-58.2	145	-180	-71.4	165.9	0	0	0	112.6	P585 K586 E622 E623 R624	P585-L620 HydrophobicContact CB-CD2 4.27Å; P585-L620 HydrophobicContact CB-CG 4.28Å; P585-L620 HydrophobicContact CG-CD2 4.25Å; K586-L620 HydrophobicContact CG-CD1 3.98Å; L620-E622 VanDerWaalsContact C-N 3.27Å; L620-E622 PolarHBondContact O-N 3.05Å; L620-E622 VanDerWaalsContact O-N 3.1Å; L620-E623 PolarHBondContact O-N 3.44Å; L620-R624 WeakPolarHBondContact O-CG 3.32Å; L620-R624 PolarHBondContact O-N 3.44Å; L620-R624 VanDerWaalsContact O-N 3.15Å
621	P	68.2	Low	76.7	Confident	80 Å²	80	46.9 Å²	46.9	52%	0.519	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-38.8	-172.4	-29.7	36.2	0	0	0	115.7	R624	P621-R624 WeakPolarHBondContact O-CB 3.5Å; P621-R624 PolarHBondContact O-N 2.68Å
622	E	68.4	Low	76.7	Confident	171 Å²	171	47.1 Å²	47.1	80%	0.799	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-47.5	178.4	-64.4	161.5	-162.8	0	0	111.9	L620 R624	L620-E622 VanDerWaalsContact C-N 3.27Å; L620-E622 PolarHBondContact O-N 3.05Å; L620-E622 VanDerWaalsContact O-N 3.1Å; E622-R624 VanDerWaalsContact C-N 3.31Å; E622-R624 PolarHBondContact O-N 2.74Å
623	E	70.4	Confident	76.8	Confident	52 Å²	52	52.7 Å²	52.7	24%	0.243	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.6	-176.6	-60	-164.4	111.1	0	0	113.2	K589 V619 L620 F625 E626 M627	K589-E623 HydrophobicContact CD-CB 4.33Å; K589-E623 HydrophobicContact CD-CG 4.43Å; K589-E623 WeakPolarHBondContact CD-OE1 3.43Å; K589-E623 WeakPolarHBondContact CD-OE2 3.4Å; K589-E623 WeakPolarHBondContact CE-OE1 3.23Å; K589-E623 IonicContact NZ-OE1 3.75Å; K589-E623 PolarHBondContact NZ-OE1 3.05Å; V619-E623 HydrophobicContact CG1-CB 3.47Å; V619-E623 VanDerWaalsContact CG1-CB 3.47Å; L620-E623 PolarHBondContact O-N 3.44Å; E623-F625 PolarHBondContact O-N 2.66Å; E623-E626 PolarHBondContact O-N 3.06Å; E623-E626 VanDerWaalsContact O-N 3.1Å; E623-M627 PolarHBondContact O-N 3.14Å; E623-M627 VanDerWaalsContact O-N 3.07Å
624	R	75.2	Confident	76.7	Confident	69 Å²	69	54 Å²	54	26%	0.26	26%	0.258	S	S	.	.	H	α-helix	trans	-56.3	-36.5	177	-73.4	179.2	-172.8	179	-8.5	112.1	T616 E617 V619 L620 P621 E622 E626 M627 F628 L655	T616-R624 PolarHBondContact O-NE 2.81Å; E617-R624 PolarHBondContact O-NH2 2.69Å; E617-R624 VanDerWaalsContact O-NH2 3.13Å; V619-R624 PolarHBondContact O-NE 3.29Å; V619-R624 PolarHBondContact O-NH2 3.49Å; L620-R624 WeakPolarHBondContact O-CG 3.32Å; L620-R624 PolarHBondContact O-N 3.44Å; L620-R624 VanDerWaalsContact O-N 3.15Å; P621-R624 WeakPolarHBondContact O-CB 3.5Å; P621-R624 PolarHBondContact O-N 2.68Å; E622-R624 VanDerWaalsContact C-N 3.31Å; E622-R624 PolarHBondContact O-N 2.74Å; R624-E626 VanDerWaalsContact C-N 3.34Å; R624-E626 PolarHBondContact O-N 3.44Å; R624-M627 PolarHBondContact O-N 2.9Å; R624-F628 HydrophobicContact CB-CD2 4.25Å; R624-F628 HydrophobicContact CB-CE2 4.23Å; R624-F628 WeakPolarHBondContact O-CD2 3.48Å; R624-F628 PolarHBondContact O-N 3.47Å; R624-L655 HydrophobicContact CB-CD2 4.38Å
625	F	76	Confident	76.7	Confident	45 Å²	45	49.2 Å²	49.2	20%	0.197	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-44.6	177.5	-177.2	-110.5	0	0	0	111.6	E623 F628 N629 L655 H659 M663	E623-F625 PolarHBondContact O-N 2.66Å; F625-F628 PolarHBondContact O-N 3.11Å; F625-N629 WeakPolarHBondContact CD1-ND2 3.25Å; F625-N629 VanDerWaalsContact CE1-ND2 3.34Å; F625-N629 WeakPolarHBondContact CE1-ND2 3.14Å; F625-N629 PolarHBondContact O-N 2.76Å; F625-N629 PolarHBondContact O-ND2 3.45Å; F625-L655 HydrophobicContact CB-CD2 4.34Å; F625-L655 HydrophobicContact CD2-CD1 4.37Å; F625-H659 AromaticContact CD1-ND1 3.77Å; F625-H659 HydrophobicContact CD2-CB 3.76Å; F625-H659 AromaticContact CD2-CG 3.78Å; F625-H659 AromaticContact CD2-ND1 3.23Å; F625-H659 WeakPolarHBondContact CD2-ND1 3.39Å; F625-H659 HydrophobicContact CE2-CB 4.23Å; F625-H659 AromaticContact CE2-ND1 3.7Å; F625-H659 AromaticContact CG-CE1 3.87Å; F625-H659 AromaticContact CG-ND1 3.25Å; F625-H659 VanDerWaalsContact CG-ND1 3.25Å; F625-H659 WeakPolarHBondContact CG-ND1 3.41Å; F625-M663 HydrophobicContact CD2-CE 3.94Å; F625-M663 HydrophobicContact CE2-CE 3.73Å; F625-M663 HydrophobicContact CE2-CG 4.39Å; F625-M663 HydrophobicContact CE2-SD 4.31Å
626	E	78.5	Confident	77	Confident	104 Å²	104	51.4 Å²	51.4	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-42.9	175.4	-61.1	-169.5	156.4	0	0	111.8	K589 E623 R624 F628 N629 I630	K589-E626 IonicContact NZ-OE2 3.48Å; K589-E626 PolarHBondContact NZ-OE2 3.47Å; E623-E626 PolarHBondContact O-N 3.06Å; E623-E626 VanDerWaalsContact O-N 3.1Å; R624-E626 VanDerWaalsContact C-N 3.34Å; R624-E626 PolarHBondContact O-N 3.44Å; E626-F628 PolarHBondContact O-N 2.82Å; E626-N629 WeakPolarHBondContact O-CB 3.35Å; E626-N629 PolarHBondContact O-N 3Å; E626-N629 VanDerWaalsContact O-N 3.16Å; E626-I630 WeakPolarHBondContact O-CG1 3.48Å; E626-I630 PolarHBondContact O-N 2.7Å
627	M	76	Confident	77.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-39.2	177.9	-66.5	-56.8	-63.2	0	0	112.5	K589 L593 A615 T616 V619 E623 R624 I630 Y631	K589-M627 HydrophobicContact CG-SD 3.95Å; L593-M627 HydrophobicContact CD1-SD 4.32Å; L593-M627 HydrophobicContact CD2-CE 3.96Å; L593-M627 HydrophobicContact CD2-SD 4.18Å; L593-M627 HydrophobicContact CG-CE 4.23Å; L593-M627 HydrophobicContact CG-SD 4.28Å; A615-M627 HydrophobicContact CB-CE 3.73Å; T616-M627 HydrophobicContact CG2-CB 4.27Å; V619-M627 HydrophobicContact CB-CG 4.27Å; V619-M627 HydrophobicContact CG1-CG 3.92Å; V619-M627 HydrophobicContact CG2-CG 4.18Å; E623-M627 PolarHBondContact O-N 3.14Å; E623-M627 VanDerWaalsContact O-N 3.07Å; R624-M627 PolarHBondContact O-N 2.9Å; M627-I630 PolarHBondContact O-N 2.73Å; M627-I630 HydrophobicContact SD-CD1 4.44Å; M627-Y631 WeakPolarHBondContact O-CB 3.35Å; M627-Y631 PolarHBondContact O-N 3.37Å
628	F	80.3	Confident	77.5	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-37.7	172.3	-79.6	-65.6	0	0	0	112.5	T616 R624 F625 E626 I630 Y631 I632 A651 R654 L655 M663	T616-F628 HydrophobicContact CG2-CD1 3.89Å; T616-F628 HydrophobicContact CG2-CE1 3.7Å; T616-F628 HydrophobicContact CG2-CE2 4.34Å; T616-F628 HydrophobicContact CG2-CG 4.28Å; T616-F628 HydrophobicContact CG2-CZ 3.92Å; R624-F628 HydrophobicContact CB-CD2 4.25Å; R624-F628 HydrophobicContact CB-CE2 4.23Å; R624-F628 WeakPolarHBondContact O-CD2 3.48Å; R624-F628 PolarHBondContact O-N 3.47Å; F625-F628 PolarHBondContact O-N 3.11Å; E626-F628 PolarHBondContact O-N 2.82Å; F628-I630 PolarHBondContact O-N 2.71Å; F628-Y631 HydrophobicContact CD1-CD1 4.04Å; F628-Y631 HydrophobicContact CE1-CD1 4.35Å; F628-Y631 PolarHBondContact O-N 3.23Å; F628-I632 WeakPolarHBondContact O-CB 3.49Å; F628-I632 WeakPolarHBondContact O-CD1 3.2Å; F628-I632 WeakPolarHBondContact O-CG1 3.18Å; F628-I632 PolarHBondContact O-N 3.41Å; F628-A651 HydrophobicContact CB-CB 4.31Å; F628-A651 HydrophobicContact CD1-CB 3.54Å; F628-A651 HydrophobicContact CD2-CB 4.34Å; F628-A651 HydrophobicContact CE1-CB 3.89Å; F628-A651 HydrophobicContact CG-CB 3.82Å; F628-A651 HydrophobicContact CZ-CB 4.44Å; F628-R654 HydrophobicContact CE2-CB 4.11Å; F628-R654 HydrophobicContact CZ-CB 3.93Å; F628-L655 HydrophobicContact CD2-CD1 4.15Å; F628-L655 HydrophobicContact CD2-CD2 3.84Å; F628-L655 HydrophobicContact CD2-CG 3.91Å; F628-L655 HydrophobicContact CE2-CD2 4.26Å; F628-L655 HydrophobicContact CE2-CG 4.17Å; F628-M663 HydrophobicContact CB-CE 3.88Å
629	N	84.3	Confident	77.5	Confident	31 Å²	31	54.8 Å²	54.8	17%	0.166	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-46.9	173	-81.3	-82.1	0	0	0	111.5	F625 E626 Q633 R666	F625-N629 WeakPolarHBondContact CD1-ND2 3.25Å; F625-N629 VanDerWaalsContact CE1-ND2 3.34Å; F625-N629 WeakPolarHBondContact CE1-ND2 3.14Å; F625-N629 PolarHBondContact O-N 2.76Å; F625-N629 PolarHBondContact O-ND2 3.45Å; E626-N629 WeakPolarHBondContact O-CB 3.35Å; E626-N629 PolarHBondContact O-N 3Å; E626-N629 VanDerWaalsContact O-N 3.16Å; N629-Q633 VanDerWaalsContact O-CG 3.32Å; N629-Q633 WeakPolarHBondContact O-CG 3.48Å; N629-Q633 PolarHBondContact O-N 2.76Å; N629-Q633 VanDerWaalsContact O-N 3.14Å; N629-R666 PolarHBondContact OD1-NH1 3.48Å
630	I	83.2	Confident	77.9	Confident	47 Å²	47	56 Å²	56	24%	0.241	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-49	177.3	-65.5	167	0	0	0	110.2	L593 Y612 E626 M627 F628 I632 Q633 R634	L593-I630 HydrophobicContact CD2-CD1 4Å; L593-I630 HydrophobicContact CD2-CG2 4.23Å; Y612-I630 HydrophobicContact CE1-CG2 3.78Å; E626-I630 WeakPolarHBondContact O-CG1 3.48Å; E626-I630 PolarHBondContact O-N 2.7Å; M627-I630 PolarHBondContact O-N 2.73Å; M627-I630 HydrophobicContact SD-CD1 4.44Å; F628-I630 PolarHBondContact O-N 2.71Å; I630-I632 PolarHBondContact O-N 2.78Å; I630-Q633 WeakPolarHBondContact O-CB 3.24Å; I630-Q633 PolarHBondContact O-N 3.14Å; I630-R634 HydrophobicContact CG2-CG 4.3Å; I630-R634 WeakPolarHBondContact O-CG 3.37Å; I630-R634 PolarHBondContact O-N 3.17Å
631	Y	82.7	Confident	78.2	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-44.1	-179.3	176.1	-135.9	0	0	0	113	I609 Y612 E613 T616 M627 F628 R634 I635 A647 Q650	I609-Y631 HydrophobicContact CG2-CE2 4.19Å; Y612-Y631 HydrophobicContact CD2-CD2 4.5Å; Y612-Y631 HydrophobicContact CG-CD2 4.05Å; E613-Y631 HydrophobicContact CG-CE1 4.44Å; E613-Y631 HydrophobicContact CG-CE2 4.1Å; E613-Y631 WeakPolarHBondContact CG-OH 3.14Å; E613-Y631 PolarHBondContact OE1-OH 3.35Å; T616-Y631 HydrophobicContact CG2-CD1 4.28Å; M627-Y631 WeakPolarHBondContact O-CB 3.35Å; M627-Y631 PolarHBondContact O-N 3.37Å; F628-Y631 HydrophobicContact CD1-CD1 4.04Å; F628-Y631 HydrophobicContact CE1-CD1 4.35Å; F628-Y631 PolarHBondContact O-N 3.23Å; Y631-R634 PolarHBondContact O-N 3.49Å; Y631-I635 HydrophobicContact CD1-CD1 4.38Å; Y631-I635 HydrophobicContact CD2-CD1 3.65Å; Y631-I635 HydrophobicContact CD2-CG1 4.08Å; Y631-I635 HydrophobicContact CE1-CD1 3.96Å; Y631-I635 HydrophobicContact CE2-CD1 3.17Å; Y631-I635 HydrophobicContact CE2-CG1 3.84Å; Y631-I635 HydrophobicContact CG-CD1 4.24Å; Y631-I635 WeakPolarHBondContact O-CG1 3.48Å; Y631-I635 PolarHBondContact O-N 3.42Å; Y631-A647 HydrophobicContact CD1-CB 3.85Å; Y631-A647 HydrophobicContact CE1-CB 3.48Å; Y631-A647 VanDerWaalsContact CE1-CB 3.48Å; Y631-Q650 VanDerWaalsContact CE1-OE1 3.24Å; Y631-Q650 PolarHBondContact OH-OE1 3.11Å
632	I	83.9	Confident	78.7	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-43.1	176.4	-70.4	162.8	0	0	0	111	F628 I630 A636 A647 Y648 M663	F628-I632 WeakPolarHBondContact O-CB 3.49Å; F628-I632 WeakPolarHBondContact O-CD1 3.2Å; F628-I632 WeakPolarHBondContact O-CG1 3.18Å; F628-I632 PolarHBondContact O-N 3.41Å; I630-I632 PolarHBondContact O-N 2.78Å; I632-A636 PolarHBondContact O-N 2.86Å; I632-A636 VanDerWaalsContact O-N 3.12Å; I632-A647 HydrophobicContact CG1-CB 4Å; I632-Y648 HydrophobicContact CD1-CD1 3.92Å; I632-Y648 HydrophobicContact CD1-CE1 3.79Å; I632-Y648 HydrophobicContact CD1-CG 4.49Å; I632-Y648 HydrophobicContact CG2-CE1 4.34Å; I632-Y648 HydrophobicContact CG2-CE2 3.88Å; I632-M663 HydrophobicContact CD1-CE 3.92Å; I632-M663 HydrophobicContact CD1-SD 3.91Å
633	Q	83.3	Confident	79.1	Confident	122 Å²	122	53 Å²	53	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-59.5	-46.4	173.6	-74.2	173.2	-9.4	0	0	111	N629 I630 I635 A636 D637	N629-Q633 VanDerWaalsContact O-CG 3.32Å; N629-Q633 WeakPolarHBondContact O-CG 3.48Å; N629-Q633 PolarHBondContact O-N 2.76Å; N629-Q633 VanDerWaalsContact O-N 3.14Å; I630-Q633 WeakPolarHBondContact O-CB 3.24Å; I630-Q633 PolarHBondContact O-N 3.14Å; Q633-I635 PolarHBondContact O-N 3.44Å; Q633-A636 WeakPolarHBondContact O-CB 3.2Å; Q633-A636 PolarHBondContact O-N 3.42Å; Q633-D637 PolarHBondContact O-N 2.96Å
634	R	78.5	Confident	79.6	Confident	87 Å²	87	50.5 Å²	50.5	33%	0.328	26%	0.26	S	S	.	.	H	α-helix	trans	-72.1	-29.1	-177.2	-65	-46.4	-142.4	-173.3	14.6	114.9	E600 Y612 I630 Y631 D637 L638	E600-R634 WeakPolarHBondContact OE1-CD 3.47Å; E600-R634 WeakPolarHBondContact OE1-CG 3.39Å; E600-R634 IonicContact OE1-CZ 3.34Å; E600-R634 IonicContact OE1-NE 2.73Å; E600-R634 PolarHBondContact OE1-NE 2.88Å; E600-R634 IonicContact OE1-NH2 3.83Å; E600-R634 IonicContact OE2-CZ 3.33Å; E600-R634 IonicContact OE2-NE 3.64Å; E600-R634 PolarHBondContact OE2-NE 3.27Å; E600-R634 IonicContact OE2-NH2 2.65Å; E600-R634 PolarHBondContact OE2-NH2 3.42Å; Y612-R634 HydrophobicContact CD2-CB 4.36Å; Y612-R634 HydrophobicContact CE2-CB 3.85Å; Y612-R634 HydrophobicContact CE2-CG 3.91Å; I630-R634 HydrophobicContact CG2-CG 4.3Å; I630-R634 WeakPolarHBondContact O-CG 3.37Å; I630-R634 PolarHBondContact O-N 3.17Å; Y631-R634 PolarHBondContact O-N 3.49Å; R634-D637 VanDerWaalsContact CD-OD2 3.25Å; R634-D637 WeakPolarHBondContact CD-OD2 3.5Å; R634-D637 IonicContact CZ-OD2 3.16Å; R634-D637 IonicContact NE-OD2 2.75Å; R634-D637 IonicContact NH1-OD2 3.7Å; R634-D637 PolarHBondContact NH1-OD2 3.23Å; R634-L638 WeakPolarHBondContact O-CB 3.48Å; R634-L638 WeakPolarHBondContact O-CG 3.43Å; R634-L638 PolarHBondContact O-N 3.41Å
635	I	82.7	Confident	80.1	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-40.1	168.7	-70.1	165.8	0	0	0	111	I609 Y631 Q633 D637 L638 H639 G640 H643 T644 A647	I609-I635 HydrophobicContact CD1-CG1 3.96Å; I609-I635 HydrophobicContact CG1-CG1 3.99Å; Y631-I635 HydrophobicContact CD1-CD1 4.38Å; Y631-I635 HydrophobicContact CD2-CD1 3.65Å; Y631-I635 HydrophobicContact CD2-CG1 4.08Å; Y631-I635 HydrophobicContact CE1-CD1 3.96Å; Y631-I635 HydrophobicContact CE2-CD1 3.17Å; Y631-I635 HydrophobicContact CE2-CG1 3.84Å; Y631-I635 HydrophobicContact CG-CD1 4.24Å; Y631-I635 WeakPolarHBondContact O-CG1 3.48Å; Y631-I635 PolarHBondContact O-N 3.42Å; Q633-I635 PolarHBondContact O-N 3.44Å; I635-D637 VanDerWaalsContact C-N 3.29Å; I635-D637 PolarHBondContact O-N 3.5Å; I635-L638 PolarHBondContact O-N 3.14Å; I635-H639 HydrophobicContact CG2-CB 4.45Å; I635-H639 PolarHBondContact O-N 3.16Å; I635-G640 PolarHBondContact O-N 3.01Å; I635-G640 VanDerWaalsContact O-N 3.15Å; I635-H643 VanDerWaalsContact CG2-C 3.44Å; I635-H643 HydrophobicContact CG2-CB 3.49Å; I635-H643 VanDerWaalsContact CG2-CB 3.49Å; I635-T644 HydrophobicContact CB-CG2 4.25Å; I635-T644 HydrophobicContact CG2-CG2 3.88Å; I635-A647 HydrophobicContact CD1-CB 3.45Å; I635-A647 VanDerWaalsContact CD1-CB 3.45Å
636	A	83.2	Confident	80.4	Confident	45 Å²	45	49.3 Å²	49.3	37%	0.372	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-42.4	175.7	0	0	0	0	0	111.3	I632 Q633 G640 T644	I632-A636 PolarHBondContact O-N 2.86Å; I632-A636 VanDerWaalsContact O-N 3.12Å; Q633-A636 WeakPolarHBondContact O-CB 3.2Å; Q633-A636 PolarHBondContact O-N 3.42Å; A636-G640 WeakPolarHBondContact O-CA 3.48Å; A636-G640 PolarHBondContact O-N 2.98Å; A636-T644 HydrophobicContact CB-CG2 3.77Å
637	D	82.1	Confident	80.6	Confident	105 Å²	105	44.3 Å²	44.3	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-63.5	-48.8	174	-65.2	-20.5	0	0	0	112.3	Q633 R634 I635	Q633-D637 PolarHBondContact O-N 2.96Å; R634-D637 VanDerWaalsContact CD-OD2 3.25Å; R634-D637 WeakPolarHBondContact CD-OD2 3.5Å; R634-D637 IonicContact CZ-OD2 3.16Å; R634-D637 IonicContact NE-OD2 2.75Å; R634-D637 IonicContact NH1-OD2 3.7Å; R634-D637 PolarHBondContact NH1-OD2 3.23Å; I635-D637 VanDerWaalsContact C-N 3.29Å; I635-D637 PolarHBondContact O-N 3.5Å
638	L	77.5	Confident	81	Confident	58 Å²	58	45.1 Å²	45.1	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-91.2	-35.4	-164.8	-69.7	173.5	0	0	0	115.8	A605 A608 R634 I635	A605-L638 HydrophobicContact CB-CB 4.25Å; A605-L638 HydrophobicContact CB-CD1 4.39Å; A605-L638 HydrophobicContact CB-CD2 4.08Å; A605-L638 HydrophobicContact CB-CG 4.49Å; A608-L638 HydrophobicContact CB-CD1 4.23Å; R634-L638 WeakPolarHBondContact O-CB 3.48Å; R634-L638 WeakPolarHBondContact O-CG 3.43Å; R634-L638 PolarHBondContact O-N 3.41Å; I635-L638 PolarHBondContact O-N 3.14Å
639	H	72.8	Confident	81.2	Confident	55 Å²	55	49.9 Å²	49.9	26%	0.255	27%	0.265	S	S	.	.	H	α-helix	trans	-125.9	-0.8	-174.9	-80.4	55.3	0	0	0	112.6	I609 I635 H643	I609-H639 HydrophobicContact CD1-CB 4.37Å; I609-H639 WeakPolarHBondContact CD1-ND1 3.34Å; I635-H639 HydrophobicContact CG2-CB 4.45Å; I635-H639 PolarHBondContact O-N 3.16Å; H639-H643 HydrophobicContact CB-CB 3.75Å
640	G	75.7	Confident	81.2	Confident	26 Å²	26	49.7 Å²	49.7	27%	0.268	26%	0.263	S	S	.	.			trans	76.8	174.8	-179.9	0	0	0	0	0	113.9	I635 A636 T642 H643	I635-G640 PolarHBondContact O-N 3.01Å; I635-G640 VanDerWaalsContact O-N 3.15Å; A636-G640 WeakPolarHBondContact O-CA 3.48Å; A636-G640 PolarHBondContact O-N 2.98Å; G640-T642 PolarHBondContact O-N 3.22Å; G640-T642 VanDerWaalsContact O-N 3.14Å; G640-H643 PolarHBondContact O-N 3.07Å
641	V	78.7	Confident	81.1	Confident	63 Å²	63	47.5 Å²	47.5	38%	0.382	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-29.4	-165.2	-156.5	0	0	0	0	113	H643 T644 L670 L674	V641-H643 VanDerWaalsContact C-N 3.35Å; V641-H643 PolarHBondContact O-N 3.45Å; V641-T644 PolarHBondContact O-N 3.45Å; V641-T644 PolarHBondContact O-OG1 2.83Å; V641-L670 HydrophobicContact CG1-CD1 3.57Å; V641-L670 HydrophobicContact CG1-CD2 3.99Å; V641-L670 HydrophobicContact CG1-CG 3.73Å; V641-L674 HydrophobicContact CB-CD1 4.35Å; V641-L674 HydrophobicContact CB-CD2 4.08Å; V641-L674 HydrophobicContact CG1-CD1 3.88Å; V641-L674 HydrophobicContact CG1-CD2 4.02Å; V641-L674 HydrophobicContact CG1-CG 4.17Å
642	T	79.6	Confident	81.1	Confident	83 Å²	83	48.4 Å²	48.4	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-34.4	179.4	49.7	0	0	0	0	113.7	G640 R645	G640-T642 PolarHBondContact O-N 3.22Å; G640-T642 VanDerWaalsContact O-N 3.14Å; T642-R645 WeakPolarHBondContact O-CB 3.48Å; T642-R645 WeakPolarHBondContact O-CD 3.25Å; T642-R645 VanDerWaalsContact O-CG 3.25Å; T642-R645 WeakPolarHBondContact O-CG 3.23Å
643	H	77.1	Confident	81	Confident	99 Å²	99	54.9 Å²	54.9	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-81.3	-20.9	179.7	-79.6	-88	0	0	0	112.9	I635 H639 G640 V641 R645 S646	I635-H643 VanDerWaalsContact CG2-C 3.44Å; I635-H643 HydrophobicContact CG2-CB 3.49Å; I635-H643 VanDerWaalsContact CG2-CB 3.49Å; H639-H643 HydrophobicContact CB-CB 3.75Å; G640-H643 PolarHBondContact O-N 3.07Å; V641-H643 VanDerWaalsContact C-N 3.35Å; V641-H643 PolarHBondContact O-N 3.45Å; H643-R645 PolarHBondContact O-N 3.1Å; H643-R645 VanDerWaalsContact O-N 3.14Å; H643-S646 PolarHBondContact O-N 3.03Å
644	T	80.9	Confident	80.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-23.9	177.3	68.8	0	0	0	0	112.5	I635 A636 V641 S646 A647 Y648 L670	I635-T644 HydrophobicContact CB-CG2 4.25Å; I635-T644 HydrophobicContact CG2-CG2 3.88Å; A636-T644 HydrophobicContact CB-CG2 3.77Å; V641-T644 PolarHBondContact O-N 3.45Å; V641-T644 PolarHBondContact O-OG1 2.83Å; T644-S646 PolarHBondContact O-N 3.1Å; T644-A647 PolarHBondContact O-N 2.92Å; T644-A647 VanDerWaalsContact O-N 3.11Å; T644-Y648 VanDerWaalsContact O-CD2 3.23Å; T644-Y648 WeakPolarHBondContact O-CD2 3.49Å; T644-Y648 PolarHBondContact O-N 3.42Å; T644-L670 VanDerWaalsContact OG1-CD2 3.29Å; T644-L670 WeakPolarHBondContact OG1-CD2 3.27Å
645	R	84.3	Confident	80.6	Confident	32 Å²	32	49.5 Å²	49.5	12%	0.121	26%	0.262	C	S	.	.	H	α-helix	trans	-48.6	-53	173.6	-62.4	-177.7	160.6	149.4	-0.4	112.3	T642 H643 A647 Y648 E649 F667 E671 L674 E676	T642-R645 WeakPolarHBondContact O-CB 3.48Å; T642-R645 WeakPolarHBondContact O-CD 3.25Å; T642-R645 VanDerWaalsContact O-CG 3.25Å; T642-R645 WeakPolarHBondContact O-CG 3.23Å; H643-R645 PolarHBondContact O-N 3.1Å; H643-R645 VanDerWaalsContact O-N 3.14Å; R645-A647 VanDerWaalsContact C-N 3.3Å; R645-A647 PolarHBondContact O-N 3.31Å; R645-Y648 PolarHBondContact O-N 3.43Å; R645-Y648 VanDerWaalsContact O-N 3.14Å; R645-E649 WeakPolarHBondContact O-CG 3.41Å; R645-E649 PolarHBondContact O-N 3.23Å; R645-F667 HydrophobicContact CB-CE2 4.24Å; R645-F667 HydrophobicContact CB-CZ 4.43Å; R645-F667 HydrophobicContact CG-CE2 4.1Å; R645-E671 WeakPolarHBondContact CG-OE1 3.49Å; R645-E671 IonicContact CZ-OE1 3.17Å; R645-E671 IonicContact CZ-OE2 2.97Å; R645-E671 IonicContact NE-OE1 3.56Å; R645-E671 PolarHBondContact NE-OE1 3.23Å; R645-E671 IonicContact NE-OE2 3.19Å; R645-E671 PolarHBondContact NE-OE2 3.34Å; R645-E671 IonicContact NH2-OE1 2.71Å; R645-E671 PolarHBondContact NH2-OE1 3.43Å; R645-E671 IonicContact NH2-OE2 2.71Å; R645-E671 PolarHBondContact NH2-OE2 3.49Å; R645-L674 VanDerWaalsContact NH2-CD1 3.3Å; R645-E676 IonicContact CZ-OE1 2.84Å; R645-E676 IonicContact NH1-OE1 3.82Å; R645-E676 PolarHBondContact NH1-OE1 3.24Å; R645-E676 IonicContact NH2-OE1 3.24Å; R645-E676 PolarHBondContact NH2-OE1 3.15Å; R645-E676 IonicContact NH2-OE2 3.58Å
646	S	84	Confident	80.1	Confident	56 Å²	56	52.7 Å²	52.7	39%	0.392	28%	0.283	S	S	.	.	H	α-helix	trans	-67.5	-31	-178.4	-166.2	0	0	0	0	112.5	H643 T644 E649 Q650	H643-S646 PolarHBondContact O-N 3.03Å; T644-S646 PolarHBondContact O-N 3.1Å; S646-E649 WeakPolarHBondContact CA-OE2 3.33Å; S646-E649 PolarHBondContact O-N 2.87Å; S646-Q650 VanDerWaalsContact O-CB 3.31Å; S646-Q650 WeakPolarHBondContact O-CB 3.37Å; S646-Q650 WeakPolarHBondContact O-CG 3.2Å; S646-Q650 PolarHBondContact O-N 3.05Å
647	A	81.3	Confident	79.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-73.8	-32.3	173	0	0	0	0	0	113.3	Y631 I632 I635 T644 R645 A651	Y631-A647 HydrophobicContact CD1-CB 3.85Å; Y631-A647 HydrophobicContact CE1-CB 3.48Å; Y631-A647 VanDerWaalsContact CE1-CB 3.48Å; I632-A647 HydrophobicContact CG1-CB 4Å; I635-A647 HydrophobicContact CD1-CB 3.45Å; I635-A647 VanDerWaalsContact CD1-CB 3.45Å; T644-A647 PolarHBondContact O-N 2.92Å; T644-A647 VanDerWaalsContact O-N 3.11Å; R645-A647 VanDerWaalsContact C-N 3.3Å; R645-A647 PolarHBondContact O-N 3.31Å; A647-A651 WeakPolarHBondContact O-CB 3.45Å; A647-A651 PolarHBondContact O-N 2.88Å
648	Y	85	Confident	79.3	Confident	17 Å²	17	56.7 Å²	56.7	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-44.4	169	-79.1	-69.1	0	0	0	111.1	I632 T644 R645 A651 I652 M663 R666 F667 L670	I632-Y648 HydrophobicContact CD1-CD1 3.92Å; I632-Y648 HydrophobicContact CD1-CE1 3.79Å; I632-Y648 HydrophobicContact CD1-CG 4.49Å; I632-Y648 HydrophobicContact CG2-CE1 4.34Å; I632-Y648 HydrophobicContact CG2-CE2 3.88Å; T644-Y648 VanDerWaalsContact O-CD2 3.23Å; T644-Y648 WeakPolarHBondContact O-CD2 3.49Å; T644-Y648 PolarHBondContact O-N 3.42Å; R645-Y648 PolarHBondContact O-N 3.43Å; R645-Y648 VanDerWaalsContact O-N 3.14Å; Y648-A651 PolarHBondContact O-N 3.4Å; Y648-I652 WeakPolarHBondContact O-CB 3.17Å; Y648-I652 WeakPolarHBondContact O-CD1 3.36Å; Y648-I652 WeakPolarHBondContact O-CG1 3.28Å; Y648-I652 PolarHBondContact O-N 3.02Å; Y648-M663 HydrophobicContact CD1-CB 4.28Å; Y648-M663 HydrophobicContact CE1-SD 4.37Å; Y648-R666 HydrophobicContact CE1-CB 3.97Å; Y648-F667 HydrophobicContact CD1-CB 3.71Å; Y648-F667 HydrophobicContact CD1-CG 4.26Å; Y648-F667 HydrophobicContact CD2-CB 4.15Å; Y648-F667 AromaticContact CD2-CD2 3.59Å; Y648-F667 HydrophobicContact CD2-CD2 3.59Å; Y648-F667 HydrophobicContact CD2-CE2 4.29Å; Y648-F667 HydrophobicContact CD2-CG 4.06Å; Y648-F667 HydrophobicContact CE1-CB 4.17Å; Y648-F667 HydrophobicContact CE2-CD2 4.36Å; Y648-F667 HydrophobicContact CG-CB 3.7Å; Y648-F667 HydrophobicContact CG-CD1 4.47Å; Y648-F667 AromaticContact CG-CD2 3.74Å; Y648-F667 HydrophobicContact CG-CD2 3.74Å; Y648-F667 AromaticContact CG-CG 3.73Å; Y648-F667 HydrophobicContact CG-CG 3.73Å; Y648-L670 HydrophobicContact CD2-CD2 4.43Å; Y648-L670 HydrophobicContact CE2-CD1 4.07Å; Y648-L670 HydrophobicContact CE2-CD2 4.17Å
649	E	85.3	Confident	79.3	Confident	100 Å²	100	56.4 Å²	56.4	47%	0.467	29%	0.288	S	S	.	.	H	α-helix	trans	-57.2	-54.5	173.6	-68.5	161.6	173.3	0	0	111.2	R645 S646 A651 I652 E653	R645-E649 WeakPolarHBondContact O-CG 3.41Å; R645-E649 PolarHBondContact O-N 3.23Å; S646-E649 WeakPolarHBondContact CA-OE2 3.33Å; S646-E649 PolarHBondContact O-N 2.87Å; E649-A651 VanDerWaalsContact C-N 3.27Å; E649-A651 PolarHBondContact O-N 3.49Å; E649-I652 PolarHBondContact O-N 2.91Å; E649-I652 VanDerWaalsContact O-N 3.12Å; E649-E653 WeakPolarHBondContact O-CG 3.34Å; E649-E653 PolarHBondContact O-N 3.12Å
650	Q	83.3	Confident	79.5	Confident	27 Å²	27	54 Å²	54	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-36.7	176.1	-74.6	173.8	-4.1	0	0	113.1	E613 Y631 S646 R654	E613-Q650 PolarHBondContact OE1-NE2 2.84Å; Y631-Q650 VanDerWaalsContact CE1-OE1 3.24Å; Y631-Q650 PolarHBondContact OH-OE1 3.11Å; S646-Q650 VanDerWaalsContact O-CB 3.31Å; S646-Q650 WeakPolarHBondContact O-CB 3.37Å; S646-Q650 WeakPolarHBondContact O-CG 3.2Å; S646-Q650 PolarHBondContact O-N 3.05Å; Q650-R654 WeakPolarHBondContact O-CB 3.35Å; Q650-R654 WeakPolarHBondContact O-CD 3.07Å; Q650-R654 WeakPolarHBondContact O-CG 3.42Å; Q650-R654 PolarHBondContact O-N 3.17Å
651	A	82	Confident	79.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-71.2	-41.5	176.9	0	0	0	0	0	111.8	F628 A647 Y648 E649 E653 R654 L655	F628-A651 HydrophobicContact CB-CB 4.31Å; F628-A651 HydrophobicContact CD1-CB 3.54Å; F628-A651 HydrophobicContact CD2-CB 4.34Å; F628-A651 HydrophobicContact CE1-CB 3.89Å; F628-A651 HydrophobicContact CG-CB 3.82Å; F628-A651 HydrophobicContact CZ-CB 4.44Å; A647-A651 WeakPolarHBondContact O-CB 3.45Å; A647-A651 PolarHBondContact O-N 2.88Å; Y648-A651 PolarHBondContact O-N 3.4Å; E649-A651 VanDerWaalsContact C-N 3.27Å; E649-A651 PolarHBondContact O-N 3.49Å; A651-E653 VanDerWaalsContact C-N 3.34Å; A651-E653 PolarHBondContact O-N 3.28Å; A651-R654 PolarHBondContact O-N 2.95Å; A651-L655 HydrophobicContact CB-CD1 3.94Å; A651-L655 WeakPolarHBondContact O-CB 3.41Å; A651-L655 WeakPolarHBondContact O-CD1 3.43Å; A651-L655 WeakPolarHBondContact O-CG 3.44Å; A651-L655 PolarHBondContact O-N 3.01Å
652	I	81.2	Confident	79.7	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.118	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-39.2	179.9	-70.5	165.1	0	0	0	111	Y648 E649 C664 F667 Y686	Y648-I652 WeakPolarHBondContact O-CB 3.17Å; Y648-I652 WeakPolarHBondContact O-CD1 3.36Å; Y648-I652 WeakPolarHBondContact O-CG1 3.28Å; Y648-I652 PolarHBondContact O-N 3.02Å; E649-I652 PolarHBondContact O-N 2.91Å; E649-I652 VanDerWaalsContact O-N 3.12Å; I652-C664 HydrophobicContact CD1-CB 4.35Å; I652-C664 WeakPolarHBondContact CD1-SG 3.41Å; I652-C664 VanDerWaalsContact CG1-SG 3.5Å; I652-F667 HydrophobicContact CD1-CD1 4.01Å; I652-Y686 HydrophobicContact CG2-CD1 4.36Å; I652-Y686 HydrophobicContact CG2-CE1 3.45Å; I652-Y686 VanDerWaalsContact CG2-CE1 3.45Å
653	E	82.6	Confident	79.8	Confident	151 Å²	151	52.9 Å²	52.9	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-67.3	-33.3	174.8	-68.3	177.9	156.4	0	0	114	E649 A651	E649-E653 WeakPolarHBondContact O-CG 3.34Å; E649-E653 PolarHBondContact O-N 3.12Å; A651-E653 VanDerWaalsContact C-N 3.34Å; A651-E653 PolarHBondContact O-N 3.28Å
654	R	77.3	Confident	80	Confident	80 Å²	80	48.2 Å²	48.2	30%	0.302	23%	0.23	S	C	.	.	H	α-helix	trans	-103.4	-11.7	-169.2	-70.1	172.6	173.4	74.8	-9.6	114.9	E617 F628 Q650 A651	E617-R654 IonicContact OE1-CZ 3.61Å; E617-R654 IonicContact OE1-NE 3.44Å; E617-R654 PolarHBondContact OE1-NE 3.41Å; E617-R654 IonicContact OE1-NH2 2.68Å; E617-R654 PolarHBondContact OE1-NH2 3.33Å; F628-R654 HydrophobicContact CE2-CB 4.11Å; F628-R654 HydrophobicContact CZ-CB 3.93Å; Q650-R654 WeakPolarHBondContact O-CB 3.35Å; Q650-R654 WeakPolarHBondContact O-CD 3.07Å; Q650-R654 WeakPolarHBondContact O-CG 3.42Å; Q650-R654 PolarHBondContact O-N 3.17Å; A651-R654 PolarHBondContact O-N 2.95Å
655	L	75.2	Confident	80.2	Confident	15 Å²	15	50.9 Å²	50.9	8%	0.079	24%	0.244	C	C	.	.	S	Bend	trans	-97.2	146	-175.8	-76.2	172	0	0	0	113.1	R624 F625 F628 A651 H659 M663	R624-L655 HydrophobicContact CB-CD2 4.38Å; F625-L655 HydrophobicContact CB-CD2 4.34Å; F625-L655 HydrophobicContact CD2-CD1 4.37Å; F628-L655 HydrophobicContact CD2-CD1 4.15Å; F628-L655 HydrophobicContact CD2-CD2 3.84Å; F628-L655 HydrophobicContact CD2-CG 3.91Å; F628-L655 HydrophobicContact CE2-CD2 4.26Å; F628-L655 HydrophobicContact CE2-CG 4.17Å; A651-L655 HydrophobicContact CB-CD1 3.94Å; A651-L655 WeakPolarHBondContact O-CB 3.41Å; A651-L655 WeakPolarHBondContact O-CD1 3.43Å; A651-L655 WeakPolarHBondContact O-CG 3.44Å; A651-L655 PolarHBondContact O-N 3.01Å; L655-H659 HydrophobicContact CB-CB 3.99Å; L655-H659 HydrophobicContact CD1-CB 4.12Å; L655-H659 HydrophobicContact CD2-CB 3.98Å; L655-H659 HydrophobicContact CG-CB 4.26Å; L655-M663 HydrophobicContact CD1-CE 4.43Å; L655-M663 HydrophobicContact CD1-CG 3.68Å
656	P	73.9	Confident	80.1	Confident	71 Å²	71	54.9 Å²	54.9	46%	0.461	26%	0.259	S	S	.	.			trans	-58	155.7	168.3	-22.2	32.9	0	0	0	112.8	E658 H659 S660	P656-E658 PolarHBondContact O-N 3.05Å; P656-H659 WeakPolarHBondContact O-CA 3.29Å; P656-H659 PolarHBondContact O-N 2.71Å; P656-S660 PolarHBondContact O-N 3.13Å
657	E	73.3	Confident	80.2	Confident	118 Å²	118	52.9 Å²	52.9	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-57	-27.6	-169.6	-57.7	-170.3	160.1	0	0	115	S660 R661 M690	E657-S660 WeakPolarHBondContact CA-OG 3.49Å; E657-S660 PolarHBondContact O-OG 3.05Å; E657-R661 VanDerWaalsContact O-CG 3.29Å; E657-R661 WeakPolarHBondContact O-CG 3.5Å; E657-R661 PolarHBondContact O-N 3.45Å; E657-R661 PolarHBondContact O-NE 3.22Å; E657-M690 HydrophobicContact CB-CE 4.33Å; E657-M690 HydrophobicContact CG-CE 3.72Å; E657-M690 WeakPolarHBondContact OE1-CE 3.11Å
658	E	73.3	Confident	80.3	Confident	116 Å²	116	52.9 Å²	52.9	54%	0.542	24%	0.244	S	C	.	.	H	α-helix	trans	-73.1	-32.6	174.1	-49.6	-153.8	148.1	0	0	113.9	P656 K662	P656-E658 PolarHBondContact O-N 3.05Å; E658-K662 WeakPolarHBondContact O-CD 3.43Å; E658-K662 WeakPolarHBondContact O-CG 3.29Å
659	H	78.6	Confident	80.3	Confident	52 Å²	52	54.4 Å²	54.4	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-88.6	-36.8	-177.2	-67.9	-74.8	0	0	0	111	F625 L655 P656 K662 M663	F625-H659 AromaticContact CD1-ND1 3.77Å; F625-H659 HydrophobicContact CD2-CB 3.76Å; F625-H659 AromaticContact CD2-CG 3.78Å; F625-H659 AromaticContact CD2-ND1 3.23Å; F625-H659 WeakPolarHBondContact CD2-ND1 3.39Å; F625-H659 HydrophobicContact CE2-CB 4.23Å; F625-H659 AromaticContact CE2-ND1 3.7Å; F625-H659 AromaticContact CG-CE1 3.87Å; F625-H659 AromaticContact CG-ND1 3.25Å; F625-H659 VanDerWaalsContact CG-ND1 3.25Å; F625-H659 WeakPolarHBondContact CG-ND1 3.41Å; L655-H659 HydrophobicContact CB-CB 3.99Å; L655-H659 HydrophobicContact CD1-CB 4.12Å; L655-H659 HydrophobicContact CD2-CB 3.98Å; L655-H659 HydrophobicContact CG-CB 4.26Å; P656-H659 WeakPolarHBondContact O-CA 3.29Å; P656-H659 PolarHBondContact O-N 2.71Å; H659-K662 PolarHBondContact O-N 3.2Å; H659-M663 WeakPolarHBondContact O-CG 3.23Å; H659-M663 PolarHBondContact O-N 2.71Å
660	S	77.7	Confident	80.2	Confident	5 Å²	5	51 Å²	51	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-48.8	173.2	65.7	0	0	0	0	110.6	P656 E657 K662 M663 C664	P656-S660 PolarHBondContact O-N 3.13Å; E657-S660 WeakPolarHBondContact CA-OG 3.49Å; E657-S660 PolarHBondContact O-OG 3.05Å; S660-K662 VanDerWaalsContact C-N 3.31Å; S660-K662 PolarHBondContact O-N 2.69Å; S660-M663 CarbonylContact O-C 3.56Å; S660-M663 WeakPolarHBondContact O-CA 3.14Å; S660-M663 PolarHBondContact O-N 3.49Å; S660-C664 PolarHBondContact O-N 2.93Å; S660-C664 PolarHBondContact O-SG 3.3Å
661	R	75.2	Confident	80.3	Confident	44 Å²	44	49.7 Å²	49.7	17%	0.166	23%	0.232	C	C	.	.	H	α-helix	trans	-49.8	-46.2	173.8	-78.5	-179.3	-75.8	160.7	-4.2	113.6	E657 M663 C664 L665 M690 E696	E657-R661 VanDerWaalsContact O-CG 3.29Å; E657-R661 WeakPolarHBondContact O-CG 3.5Å; E657-R661 PolarHBondContact O-N 3.45Å; E657-R661 PolarHBondContact O-NE 3.22Å; R661-M663 VanDerWaalsContact C-N 3.34Å; R661-M663 PolarHBondContact O-N 3.42Å; R661-C664 PolarHBondContact O-N 3.12Å; R661-L665 PolarHBondContact O-N 2.9Å; R661-M690 HydrophobicContact CG-CB 4.12Å; R661-E696 VanDerWaalsContact CD-OE2 3.27Å; R661-E696 WeakPolarHBondContact CD-OE2 3.46Å; R661-E696 IonicContact CZ-OE1 3.51Å; R661-E696 IonicContact CZ-OE2 3.58Å; R661-E696 IonicContact NE-OE2 2.64Å; R661-E696 IonicContact NH1-OE1 3.26Å; R661-E696 PolarHBondContact NH1-OE1 3.23Å; R661-E696 IonicContact NH1-OE2 3.01Å; R661-E696 PolarHBondContact NH1-OE2 3.04Å
662	K	82.5	Confident	80.4	Confident	104 Å²	104	54.9 Å²	54.9	45%	0.452	25%	0.251	S	S	.	.	H	α-helix	trans	-65.6	-33.6	177.4	-69.9	166.3	-173	158.7	0	112.5	E658 H659 S660 R666	E658-K662 WeakPolarHBondContact O-CD 3.43Å; E658-K662 WeakPolarHBondContact O-CG 3.29Å; H659-K662 PolarHBondContact O-N 3.2Å; S660-K662 VanDerWaalsContact C-N 3.31Å; S660-K662 PolarHBondContact O-N 2.69Å; K662-R666 WeakPolarHBondContact O-CG 3.19Å
663	M	81	Confident	80.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-75.9	-41.9	173.6	-68.4	-54.7	-163.1	0	0	112.4	F625 F628 I632 Y648 L655 H659 S660 R661 L665 R666 F667	F625-M663 HydrophobicContact CD2-CE 3.94Å; F625-M663 HydrophobicContact CE2-CE 3.73Å; F625-M663 HydrophobicContact CE2-CG 4.39Å; F625-M663 HydrophobicContact CE2-SD 4.31Å; F628-M663 HydrophobicContact CB-CE 3.88Å; I632-M663 HydrophobicContact CD1-CE 3.92Å; I632-M663 HydrophobicContact CD1-SD 3.91Å; Y648-M663 HydrophobicContact CD1-CB 4.28Å; Y648-M663 HydrophobicContact CE1-SD 4.37Å; L655-M663 HydrophobicContact CD1-CE 4.43Å; L655-M663 HydrophobicContact CD1-CG 3.68Å; H659-M663 WeakPolarHBondContact O-CG 3.23Å; H659-M663 PolarHBondContact O-N 2.71Å; S660-M663 CarbonylContact O-C 3.56Å; S660-M663 WeakPolarHBondContact O-CA 3.14Å; S660-M663 PolarHBondContact O-N 3.49Å; R661-M663 VanDerWaalsContact C-N 3.34Å; R661-M663 PolarHBondContact O-N 3.42Å; M663-L665 VanDerWaalsContact C-N 3.34Å; M663-L665 PolarHBondContact O-N 3.43Å; M663-R666 PolarHBondContact O-N 3.15Å; M663-R666 VanDerWaalsContact O-N 3.17Å; M663-F667 WeakPolarHBondContact O-CB 3.38Å; M663-F667 PolarHBondContact O-N 3.42Å
664	C	82.7	Confident	80.4	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-39.7	177.5	-54.6	0	0	0	0	112.2	I652 S660 R661 R666 F667 A668 V683 C687	I652-C664 HydrophobicContact CD1-CB 4.35Å; I652-C664 WeakPolarHBondContact CD1-SG 3.41Å; I652-C664 VanDerWaalsContact CG1-SG 3.5Å; S660-C664 PolarHBondContact O-N 2.93Å; S660-C664 PolarHBondContact O-SG 3.3Å; R661-C664 PolarHBondContact O-N 3.12Å; C664-R666 PolarHBondContact O-N 2.91Å; C664-F667 WeakPolarHBondContact O-CB 3.48Å; C664-F667 PolarHBondContact O-N 2.84Å; C664-A668 WeakPolarHBondContact O-CB 3.43Å; C664-A668 PolarHBondContact O-N 3.46Å; C664-V683 HydrophobicContact CB-CG1 4.18Å; C664-V683 WeakPolarHBondContact O-CG1 3.4Å; C664-C687 WeakPolarHBondContact CB-SG 3.25Å
665	L	84	Confident	80.5	Confident	56 Å²	56	56 Å²	56	29%	0.293	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-46.1	173.5	-89.6	170.3	0	0	0	111.8	R661 M663 F667 A668 D669 F699 I702	R661-L665 PolarHBondContact O-N 2.9Å; M663-L665 VanDerWaalsContact C-N 3.34Å; M663-L665 PolarHBondContact O-N 3.43Å; L665-F667 VanDerWaalsContact C-N 3.32Å; L665-F667 PolarHBondContact O-N 2.76Å; L665-A668 PolarHBondContact O-N 2.94Å; L665-D669 WeakPolarHBondContact O-CB 3.45Å; L665-D669 PolarHBondContact O-N 3.17Å; L665-F699 HydrophobicContact CD2-CD2 3.9Å; L665-F699 HydrophobicContact CD2-CE2 4.39Å; L665-F699 HydrophobicContact CG-CD2 4.33Å; L665-I702 HydrophobicContact CD2-CD1 4.22Å
666	R	83.4	Confident	81	Confident	116 Å²	116	58.7 Å²	58.7	44%	0.438	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-34.6	176.3	-69.2	172.4	174	-174	-1.1	112.5	N629 Y648 K662 M663 C664 D669 L670	N629-R666 PolarHBondContact OD1-NH1 3.48Å; Y648-R666 HydrophobicContact CE1-CB 3.97Å; K662-R666 WeakPolarHBondContact O-CG 3.19Å; M663-R666 PolarHBondContact O-N 3.15Å; M663-R666 VanDerWaalsContact O-N 3.17Å; C664-R666 PolarHBondContact O-N 2.91Å; R666-D669 PolarHBondContact O-N 2.91Å; R666-L670 WeakPolarHBondContact O-CB 3.13Å; R666-L670 PolarHBondContact O-N 2.91Å
667	F	84.8	Confident	81.4	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.057	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-44.9	176	-173.6	-151.2	0	0	0	111.5	R645 Y648 I652 M663 C664 L665 D669 L670 E671 V683	R645-F667 HydrophobicContact CB-CE2 4.24Å; R645-F667 HydrophobicContact CB-CZ 4.43Å; R645-F667 HydrophobicContact CG-CE2 4.1Å; Y648-F667 HydrophobicContact CD1-CB 3.71Å; Y648-F667 HydrophobicContact CD1-CG 4.26Å; Y648-F667 HydrophobicContact CD2-CB 4.15Å; Y648-F667 AromaticContact CD2-CD2 3.59Å; Y648-F667 HydrophobicContact CD2-CD2 3.59Å; Y648-F667 HydrophobicContact CD2-CE2 4.29Å; Y648-F667 HydrophobicContact CD2-CG 4.06Å; Y648-F667 HydrophobicContact CE1-CB 4.17Å; Y648-F667 HydrophobicContact CE2-CD2 4.36Å; Y648-F667 HydrophobicContact CG-CB 3.7Å; Y648-F667 HydrophobicContact CG-CD1 4.47Å; Y648-F667 AromaticContact CG-CD2 3.74Å; Y648-F667 HydrophobicContact CG-CD2 3.74Å; Y648-F667 AromaticContact CG-CG 3.73Å; Y648-F667 HydrophobicContact CG-CG 3.73Å; I652-F667 HydrophobicContact CD1-CD1 4.01Å; M663-F667 WeakPolarHBondContact O-CB 3.38Å; M663-F667 PolarHBondContact O-N 3.42Å; C664-F667 WeakPolarHBondContact O-CB 3.48Å; C664-F667 PolarHBondContact O-N 2.84Å; L665-F667 VanDerWaalsContact C-N 3.32Å; L665-F667 PolarHBondContact O-N 2.76Å; F667-D669 VanDerWaalsContact C-N 3.29Å; F667-D669 PolarHBondContact O-N 3.48Å; F667-L670 HydrophobicContact CD2-CD2 4.26Å; F667-L670 WeakPolarHBondContact O-CB 3.47Å; F667-L670 PolarHBondContact O-N 2.85Å; F667-L670 VanDerWaalsContact O-N 3.09Å; F667-E671 HydrophobicContact CD2-CG 4.15Å; F667-E671 HydrophobicContact CE2-CG 3.9Å; F667-E671 WeakPolarHBondContact CE2-OE1 3.27Å; F667-E671 HydrophobicContact CZ-CG 4.48Å; F667-E671 WeakPolarHBondContact O-CG 3.31Å; F667-E671 PolarHBondContact O-N 3.06Å; F667-V683 HydrophobicContact CB-CG1 4.33Å; F667-V683 HydrophobicContact CD1-CB 4.4Å; F667-V683 HydrophobicContact CD1-CG1 3.93Å; F667-V683 HydrophobicContact CD1-CG2 3.47Å; F667-V683 VanDerWaalsContact CD1-CG2 3.47Å; F667-V683 HydrophobicContact CE1-CG2 3.51Å; F667-V683 HydrophobicContact CG-CG1 4.42Å; F667-V683 HydrophobicContact CG-CG2 4.21Å; F667-V683 HydrophobicContact CZ-CG2 4.28Å
668	A	83.3	Confident	82	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-38.5	173.4	0	0	0	0	0	111.8	C664 L665 L670 R672 V683 Y684	C664-A668 WeakPolarHBondContact O-CB 3.43Å; C664-A668 PolarHBondContact O-N 3.46Å; L665-A668 PolarHBondContact O-N 2.94Å; A668-L670 VanDerWaalsContact C-N 3.31Å; A668-L670 PolarHBondContact O-N 3.41Å; A668-R672 WeakPolarHBondContact O-CB 3.32Å; A668-R672 PolarHBondContact O-N 3.41Å; A668-V683 HydrophobicContact CB-CB 4.22Å; A668-V683 HydrophobicContact CB-CG1 3.87Å; A668-Y684 HydrophobicContact CB-CD1 4.2Å; A668-Y684 HydrophobicContact CB-CD2 4.29Å; A668-Y684 HydrophobicContact CB-CE1 3.78Å; A668-Y684 HydrophobicContact CB-CE2 3.86Å; A668-Y684 HydrophobicContact CB-CG 4.42Å
669	D	85.3	Confident	82.4	Confident	50 Å²	50	57.6 Å²	57.6	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-68	-28	174	-114.1	1.4	0	0	0	113.9	L665 R666 F667 R672 K673	L665-D669 WeakPolarHBondContact O-CB 3.45Å; L665-D669 PolarHBondContact O-N 3.17Å; R666-D669 PolarHBondContact O-N 2.91Å; F667-D669 VanDerWaalsContact C-N 3.29Å; F667-D669 PolarHBondContact O-N 3.48Å; D669-R672 IonicContact OD1-CZ 2.8Å; D669-R672 IonicContact OD1-NE 3.61Å; D669-R672 PolarHBondContact OD1-NE 2.77Å; D669-R672 IonicContact OD1-NH2 3.92Å; D669-R672 PolarHBondContact OD1-NH2 3.12Å; D669-R672 IonicContact OD2-NH2 2.68Å; D669-K673 VanDerWaalsContact O-CD 3.28Å; D669-K673 WeakPolarHBondContact O-CD 3.37Å; D669-K673 VanDerWaalsContact O-CG 3.23Å; D669-K673 WeakPolarHBondContact O-CG 3.47Å; D669-K673 PolarHBondContact O-N 2.86Å
670	L	83.8	Confident	82.7	Confident	28 Å²	28	55.1 Å²	55.1	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-75.3	-49	175.3	-175.3	117.3	0	0	0	110.8	V641 T644 Y648 R666 F667 A668 R672 K673 L674	V641-L670 HydrophobicContact CG1-CD1 3.57Å; V641-L670 HydrophobicContact CG1-CD2 3.99Å; V641-L670 HydrophobicContact CG1-CG 3.73Å; T644-L670 VanDerWaalsContact OG1-CD2 3.29Å; T644-L670 WeakPolarHBondContact OG1-CD2 3.27Å; Y648-L670 HydrophobicContact CD2-CD2 4.43Å; Y648-L670 HydrophobicContact CE2-CD1 4.07Å; Y648-L670 HydrophobicContact CE2-CD2 4.17Å; R666-L670 WeakPolarHBondContact O-CB 3.13Å; R666-L670 PolarHBondContact O-N 2.91Å; F667-L670 HydrophobicContact CD2-CD2 4.26Å; F667-L670 WeakPolarHBondContact O-CB 3.47Å; F667-L670 PolarHBondContact O-N 2.85Å; F667-L670 VanDerWaalsContact O-N 3.09Å; A668-L670 VanDerWaalsContact C-N 3.31Å; A668-L670 PolarHBondContact O-N 3.41Å; L670-R672 VanDerWaalsContact C-N 3.31Å; L670-R672 PolarHBondContact O-N 2.94Å; L670-K673 PolarHBondContact O-N 3.03Å; L670-K673 VanDerWaalsContact O-N 3.09Å; L670-L674 HydrophobicContact CD2-CD1 4.28Å; L670-L674 WeakPolarHBondContact O-CG 3.23Å; L670-L674 PolarHBondContact O-N 3.34Å
671	E	84.5	Confident	83.1	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-39.5	174	-66.2	-55.9	138.7	0	0	111.9	R645 F667 K673 L674 G675 E676 R679 A680	R645-E671 WeakPolarHBondContact CG-OE1 3.49Å; R645-E671 IonicContact CZ-OE1 3.17Å; R645-E671 IonicContact CZ-OE2 2.97Å; R645-E671 IonicContact NE-OE1 3.56Å; R645-E671 PolarHBondContact NE-OE1 3.23Å; R645-E671 IonicContact NE-OE2 3.19Å; R645-E671 PolarHBondContact NE-OE2 3.34Å; R645-E671 IonicContact NH2-OE1 2.71Å; R645-E671 PolarHBondContact NH2-OE1 3.43Å; R645-E671 IonicContact NH2-OE2 2.71Å; R645-E671 PolarHBondContact NH2-OE2 3.49Å; F667-E671 HydrophobicContact CD2-CG 4.15Å; F667-E671 HydrophobicContact CE2-CG 3.9Å; F667-E671 WeakPolarHBondContact CE2-OE1 3.27Å; F667-E671 HydrophobicContact CZ-CG 4.48Å; F667-E671 WeakPolarHBondContact O-CG 3.31Å; F667-E671 PolarHBondContact O-N 3.06Å; E671-K673 VanDerWaalsContact C-N 3.3Å; E671-K673 PolarHBondContact O-N 2.84Å; E671-L674 CarbonylContact O-C 3.6Å; E671-L674 PolarHBondContact O-N 3.41Å; E671-L674 VanDerWaalsContact O-N 3.13Å; E671-G675 PolarHBondContact O-N 3.29Å; E671-E676 PolarHBondContact O-N 3.47Å; E671-R679 HydrophobicContact CB-CB 4.38Å; E671-R679 HydrophobicContact CG-CB 4.04Å; E671-A680 HydrophobicContact CB-CB 3.92Å
672	R	84.3	Confident	83.6	Confident	109 Å²	109	58 Å²	58	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-57.9	-38.9	172.3	-178.1	171.1	75.7	110.5	-11.8	112.5	A668 D669 L670 G675 F706	A668-R672 WeakPolarHBondContact O-CB 3.32Å; A668-R672 PolarHBondContact O-N 3.41Å; D669-R672 IonicContact OD1-CZ 2.8Å; D669-R672 IonicContact OD1-NE 3.61Å; D669-R672 PolarHBondContact OD1-NE 2.77Å; D669-R672 IonicContact OD1-NH2 3.92Å; D669-R672 PolarHBondContact OD1-NH2 3.12Å; D669-R672 IonicContact OD2-NH2 2.68Å; L670-R672 VanDerWaalsContact C-N 3.31Å; L670-R672 PolarHBondContact O-N 2.94Å; R672-G675 PolarHBondContact O-N 3.4Å; R672-F706 HydrophobicContact CB-CE2 4.47Å; R672-F706 HydrophobicContact CG-CD2 4.32Å; R672-F706 HydrophobicContact CG-CE2 4.29Å
673	K	81.8	Confident	83.8	Confident	159 Å²	159	53.7 Å²	53.7	69%	0.691	27%	0.267	S	S	*	.	H	α-helix	trans	-75.7	-25.6	176.4	-73.4	163.4	-172.1	161.9	0	113.3	D669 L670 E671 G675	D669-K673 VanDerWaalsContact O-CD 3.28Å; D669-K673 WeakPolarHBondContact O-CD 3.37Å; D669-K673 VanDerWaalsContact O-CG 3.23Å; D669-K673 WeakPolarHBondContact O-CG 3.47Å; D669-K673 PolarHBondContact O-N 2.86Å; L670-K673 PolarHBondContact O-N 3.03Å; L670-K673 VanDerWaalsContact O-N 3.09Å; E671-K673 VanDerWaalsContact C-N 3.3Å; E671-K673 PolarHBondContact O-N 2.84Å; K673-G675 VanDerWaalsContact C-N 3.33Å
674	L	83	Confident	84	Confident	68 Å²	68	53.8 Å²	53.8	36%	0.356	27%	0.268	S	S	.	.	H	α-helix	trans	-82.9	-9.3	174	-67.6	176.2	0	0	0	113.3	V641 R645 L670 E671 E676	V641-L674 HydrophobicContact CB-CD1 4.35Å; V641-L674 HydrophobicContact CB-CD2 4.08Å; V641-L674 HydrophobicContact CG1-CD1 3.88Å; V641-L674 HydrophobicContact CG1-CD2 4.02Å; V641-L674 HydrophobicContact CG1-CG 4.17Å; R645-L674 VanDerWaalsContact NH2-CD1 3.3Å; L670-L674 HydrophobicContact CD2-CD1 4.28Å; L670-L674 WeakPolarHBondContact O-CG 3.23Å; L670-L674 PolarHBondContact O-N 3.34Å; E671-L674 CarbonylContact O-C 3.6Å; E671-L674 PolarHBondContact O-N 3.41Å; E671-L674 VanDerWaalsContact O-N 3.13Å; L674-E676 VanDerWaalsContact C-N 3.28Å; L674-E676 PolarHBondContact O-N 3.04Å
675	G	79.2	Confident	84.1	Confident	50 Å²	50	55.2 Å²	55.2	52%	0.515	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	4.3	-178.9	0	0	0	0	0	114.5	E671 R672 K673 I677	E671-G675 PolarHBondContact O-N 3.29Å; R672-G675 PolarHBondContact O-N 3.4Å; K673-G675 VanDerWaalsContact C-N 3.33Å; G675-I677 PolarHBondContact O-N 2.7Å
676	E	84.5	Confident	84.1	Confident	71 Å²	71	57.3 Å²	57.3	33%	0.332	28%	0.284	S	S	.	.			trans	-83.1	66.5	175.9	-68.3	-164.5	-125.5	0	0	110.4	R645 E671 L674 D678 R679 A680	R645-E676 IonicContact CZ-OE1 2.84Å; R645-E676 IonicContact NH1-OE1 3.82Å; R645-E676 PolarHBondContact NH1-OE1 3.24Å; R645-E676 IonicContact NH2-OE1 3.24Å; R645-E676 PolarHBondContact NH2-OE1 3.15Å; R645-E676 IonicContact NH2-OE2 3.58Å; E671-E676 PolarHBondContact O-N 3.47Å; L674-E676 VanDerWaalsContact C-N 3.28Å; L674-E676 PolarHBondContact O-N 3.04Å; E676-D678 PolarHBondContact O-N 2.93Å; E676-R679 HydrophobicContact CB-CB 4.29Å; E676-R679 HydrophobicContact CB-CG 4.47Å; E676-R679 VanDerWaalsContact CD-NH1 3.31Å; E676-R679 PolarHBondContact O-N 3.19Å; E676-R679 IonicContact OE1-NH1 3.66Å; E676-R679 PolarHBondContact OE1-NH1 2.9Å; E676-R679 IonicContact OE2-CZ 2.83Å; E676-R679 IonicContact OE2-NE 3.8Å; E676-R679 IonicContact OE2-NH1 2.8Å; E676-R679 PolarHBondContact OE2-NH1 2.85Å; E676-R679 IonicContact OE2-NH2 3.91Å; E676-A680 PolarHBondContact O-N 3.14Å; E676-A680 VanDerWaalsContact O-N 3.08Å
677	I	83.6	Confident	84	Confident	50 Å²	50	51.9 Å²	51.9	26%	0.256	26%	0.264	S	S	.	.	H	α-helix	trans	-50.9	-42.6	-174.8	-60.4	161.8	0	0	0	111.2	G675 R679 A680 R681 F706 H710	G675-I677 PolarHBondContact O-N 2.7Å; I677-R679 VanDerWaalsContact C-N 3.33Å; I677-R679 PolarHBondContact O-N 3.11Å; I677-A680 WeakPolarHBondContact O-CB 3.5Å; I677-A680 PolarHBondContact O-N 3.37Å; I677-R681 WeakPolarHBondContact O-CG 3.5Å; I677-R681 PolarHBondContact O-N 2.92Å; I677-F706 HydrophobicContact CB-CZ 4.45Å; I677-F706 HydrophobicContact CG2-CE1 4.31Å; I677-F706 HydrophobicContact CG2-CE2 4.32Å; I677-F706 HydrophobicContact CG2-CZ 3.61Å; I677-H710 HydrophobicContact CD1-CB 4.2Å; I677-H710 HydrophobicContact CG1-CB 4.42Å; I677-H710 HydrophobicContact CG2-CB 3.67Å
678	D	84.4	Confident	83.7	Confident	113 Å²	113	51.2 Å²	51.2	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-73	-22.5	-177.9	-60.5	-45	0	0	0	113.7	E676 R681 A682	E676-D678 PolarHBondContact O-N 2.93Å; D678-R681 WeakPolarHBondContact O-CB 3.49Å; D678-R681 IonicContact OD1-CZ 3.88Å; D678-R681 IonicContact OD1-NH1 3.58Å; D678-R681 PolarHBondContact OD1-NH1 3.14Å; D678-A682 PolarHBondContact O-N 3.39Å; D678-A682 VanDerWaalsContact O-N 3.1Å
679	R	82.8	Confident	83.5	Confident	119 Å²	119	57 Å²	57	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-74.6	-42.9	166.3	-72.8	-161.8	179.4	128.6	14.2	111.3	E671 E676 I677 R681 A682 V683	E671-R679 HydrophobicContact CB-CB 4.38Å; E671-R679 HydrophobicContact CG-CB 4.04Å; E676-R679 HydrophobicContact CB-CB 4.29Å; E676-R679 HydrophobicContact CB-CG 4.47Å; E676-R679 VanDerWaalsContact CD-NH1 3.31Å; E676-R679 PolarHBondContact O-N 3.19Å; E676-R679 IonicContact OE1-NH1 3.66Å; E676-R679 PolarHBondContact OE1-NH1 2.9Å; E676-R679 IonicContact OE2-CZ 2.83Å; E676-R679 IonicContact OE2-NE 3.8Å; E676-R679 IonicContact OE2-NH1 2.8Å; E676-R679 PolarHBondContact OE2-NH1 2.85Å; E676-R679 IonicContact OE2-NH2 3.91Å; I677-R679 VanDerWaalsContact C-N 3.33Å; I677-R679 PolarHBondContact O-N 3.11Å; R679-R681 PolarHBondContact O-N 2.87Å; R679-A682 PolarHBondContact O-N 3.26Å; R679-A682 VanDerWaalsContact O-N 3.08Å; R679-V683 WeakPolarHBondContact O-CG2 3.17Å; R679-V683 PolarHBondContact O-N 3.14Å
680	A	84.6	Confident	82.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.9	-40.5	172.5	0	0	0	0	0	111.2	E671 E676 I677 V683 Y684 F706	E671-A680 HydrophobicContact CB-CB 3.92Å; E676-A680 PolarHBondContact O-N 3.14Å; E676-A680 VanDerWaalsContact O-N 3.08Å; I677-A680 WeakPolarHBondContact O-CB 3.5Å; I677-A680 PolarHBondContact O-N 3.37Å; A680-V683 PolarHBondContact O-N 3.48Å; A680-Y684 HydrophobicContact CB-CE2 4.33Å; A680-Y684 WeakPolarHBondContact O-CD2 3.41Å; A680-Y684 PolarHBondContact O-N 3.06Å; A680-F706 HydrophobicContact CB-CE1 4.47Å; A680-F706 HydrophobicContact CB-CE2 3.8Å; A680-F706 HydrophobicContact CB-CZ 3.6Å
681	R	86.2	Confident	81.9	Confident	46 Å²	46	55.4 Å²	55.4	17%	0.174	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-50.3	170.2	-74.4	-175.1	171	111.1	12.6	113.2	I677 D678 R679 V683 Y684 A685 F706 E707 H710 G711	I677-R681 WeakPolarHBondContact O-CG 3.5Å; I677-R681 PolarHBondContact O-N 2.92Å; D678-R681 WeakPolarHBondContact O-CB 3.49Å; D678-R681 IonicContact OD1-CZ 3.88Å; D678-R681 IonicContact OD1-NH1 3.58Å; D678-R681 PolarHBondContact OD1-NH1 3.14Å; R679-R681 PolarHBondContact O-N 2.87Å; R681-V683 VanDerWaalsContact C-N 3.3Å; R681-V683 PolarHBondContact O-N 3.28Å; R681-Y684 PolarHBondContact O-N 3.12Å; R681-A685 WeakPolarHBondContact O-CB 3.33Å; R681-A685 PolarHBondContact O-N 3.28Å; R681-F706 HydrophobicContact CG-CE1 3.71Å; R681-F706 HydrophobicContact CG-CZ 4.29Å; R681-E707 WeakPolarHBondContact CG-OE1 3.39Å; R681-E707 IonicContact CZ-OE2 3.61Å; R681-E707 IonicContact NE-OE1 2.78Å; R681-E707 PolarHBondContact NE-OE1 2.92Å; R681-E707 IonicContact NE-OE2 3.78Å; R681-E707 PolarHBondContact NE-OE2 2.97Å; R681-E707 IonicContact NH2-OE2 2.68Å; R681-E707 PolarHBondContact NH2-OE2 3.27Å; R681-H710 PolarHBondContact NH2-O 2.95Å; R681-G711 VanDerWaalsContact NH2-CA 3.29Å
682	A	86.4	Confident	81.3	Confident	63 Å²	63	57 Å²	57	52%	0.521	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-40.6	178.8	0	0	0	0	0	111.6	D678 R679 A685 Y686	D678-A682 PolarHBondContact O-N 3.39Å; D678-A682 VanDerWaalsContact O-N 3.1Å; R679-A682 PolarHBondContact O-N 3.26Å; R679-A682 VanDerWaalsContact O-N 3.08Å; A682-A685 PolarHBondContact O-N 3.25Å; A682-Y686 WeakPolarHBondContact O-CB 3.32Å; A682-Y686 PolarHBondContact O-N 2.93Å
683	V	85.6	Confident	80.7	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-45.6	175	179.7	0	0	0	0	111.2	C664 F667 A668 R679 A680 R681 A685 Y686 C687	C664-V683 HydrophobicContact CB-CG1 4.18Å; C664-V683 WeakPolarHBondContact O-CG1 3.4Å; F667-V683 HydrophobicContact CB-CG1 4.33Å; F667-V683 HydrophobicContact CD1-CB 4.4Å; F667-V683 HydrophobicContact CD1-CG1 3.93Å; F667-V683 HydrophobicContact CD1-CG2 3.47Å; F667-V683 VanDerWaalsContact CD1-CG2 3.47Å; F667-V683 HydrophobicContact CE1-CG2 3.51Å; F667-V683 HydrophobicContact CG-CG1 4.42Å; F667-V683 HydrophobicContact CG-CG2 4.21Å; F667-V683 HydrophobicContact CZ-CG2 4.28Å; A668-V683 HydrophobicContact CB-CB 4.22Å; A668-V683 HydrophobicContact CB-CG1 3.87Å; R679-V683 WeakPolarHBondContact O-CG2 3.17Å; R679-V683 PolarHBondContact O-N 3.14Å; A680-V683 PolarHBondContact O-N 3.48Å; R681-V683 VanDerWaalsContact C-N 3.3Å; R681-V683 PolarHBondContact O-N 3.28Å; V683-A685 VanDerWaalsContact C-N 3.35Å; V683-A685 PolarHBondContact O-N 3.32Å; V683-Y686 PolarHBondContact O-N 3.49Å; V683-C687 PolarHBondContact O-N 3.3Å; V683-C687 PolarHBondContact O-SG 2.84Å
684	Y	85.4	Confident	80	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-40.5	174.5	-73.6	-60.7	0	0	0	112.3	A668 A680 R681 Y686 C687 A688 F699 I702 W703 F706	A668-Y684 HydrophobicContact CB-CD1 4.2Å; A668-Y684 HydrophobicContact CB-CD2 4.29Å; A668-Y684 HydrophobicContact CB-CE1 3.78Å; A668-Y684 HydrophobicContact CB-CE2 3.86Å; A668-Y684 HydrophobicContact CB-CG 4.42Å; A680-Y684 HydrophobicContact CB-CE2 4.33Å; A680-Y684 WeakPolarHBondContact O-CD2 3.41Å; A680-Y684 PolarHBondContact O-N 3.06Å; R681-Y684 PolarHBondContact O-N 3.12Å; Y684-Y686 VanDerWaalsContact C-N 3.32Å; Y684-Y686 PolarHBondContact O-N 2.96Å; Y684-C687 WeakPolarHBondContact O-CB 3.36Å; Y684-C687 PolarHBondContact O-N 2.67Å; Y684-A688 WeakPolarHBondContact O-CB 3.18Å; Y684-A688 PolarHBondContact O-N 2.77Å; Y684-F699 AromaticContact CD1-CE2 3.73Å; Y684-F699 HydrophobicContact CD1-CE2 3.73Å; Y684-F699 AromaticContact CD1-CZ 3.96Å; Y684-F699 HydrophobicContact CD1-CZ 3.96Å; Y684-F699 HydrophobicContact CE1-CE2 4.36Å; Y684-F699 WeakPolarHBondContact O-CZ 3.37Å; Y684-I702 HydrophobicContact CE1-CG2 4.11Å; Y684-W703 HydrophobicContact CD1-CB 3.95Å; Y684-W703 HydrophobicContact CD1-CG 4.06Å; Y684-W703 AromaticContact CD2-CD1 3.76Å; Y684-W703 HydrophobicContact CD2-CG 4.37Å; Y684-W703 HydrophobicContact CE1-CB 4.37Å; Y684-W703 HydrophobicContact CG-CB 4.22Å; Y684-W703 AromaticContact CG-CD1 3.64Å; Y684-W703 HydrophobicContact CG-CD2 4.35Å; Y684-W703 AromaticContact CG-CG 3.84Å; Y684-W703 HydrophobicContact CG-CG 3.84Å; Y684-F706 AromaticContact CD2-CD1 3.76Å; Y684-F706 HydrophobicContact CD2-CD1 3.76Å; Y684-F706 AromaticContact CD2-CE1 3.98Å; Y684-F706 HydrophobicContact CD2-CE1 3.98Å; Y684-F706 HydrophobicContact CD2-CG 4.12Å; Y684-F706 HydrophobicContact CE2-CB 3.98Å; Y684-F706 AromaticContact CE2-CD1 3.64Å; Y684-F706 HydrophobicContact CE2-CD1 3.64Å; Y684-F706 AromaticContact CE2-CD2 3.8Å; Y684-F706 HydrophobicContact CE2-CD2 3.8Å; Y684-F706 HydrophobicContact CE2-CE1 4.03Å; Y684-F706 HydrophobicContact CE2-CE2 4.17Å; Y684-F706 AromaticContact CE2-CG 3.51Å; Y684-F706 HydrophobicContact CE2-CG 3.51Å; Y684-F706 HydrophobicContact CE2-CZ 4.27Å
685	A	84.2	Confident	79.3	Confident	32 Å²	32	52.8 Å²	52.8	26%	0.264	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-31.8	176.4	0	0	0	0	0	112.9	R681 A682 V683 I722	R681-A685 WeakPolarHBondContact O-CB 3.33Å; R681-A685 PolarHBondContact O-N 3.28Å; A682-A685 PolarHBondContact O-N 3.25Å; V683-A685 VanDerWaalsContact C-N 3.35Å; V683-A685 PolarHBondContact O-N 3.32Å; A685-I722 HydrophobicContact CB-CD1 4.43Å
686	Y	84.2	Confident	78.6	Confident	100 Å²	100	53.4 Å²	53.4	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-71.9	-48	170.7	-178.3	-92	0	0	0	111.6	I652 A682 V683 Y684 A688 Q689	I652-Y686 HydrophobicContact CG2-CD1 4.36Å; I652-Y686 HydrophobicContact CG2-CE1 3.45Å; I652-Y686 VanDerWaalsContact CG2-CE1 3.45Å; A682-Y686 WeakPolarHBondContact O-CB 3.32Å; A682-Y686 PolarHBondContact O-N 2.93Å; V683-Y686 PolarHBondContact O-N 3.49Å; Y684-Y686 VanDerWaalsContact C-N 3.32Å; Y684-Y686 PolarHBondContact O-N 2.96Å; Y686-A688 PolarHBondContact O-N 2.94Å; Y686-Q689 WeakPolarHBondContact O-CB 3.43Å; Y686-Q689 PolarHBondContact O-N 3.36Å
687	C	80.9	Confident	78.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-50.6	-43.5	174.1	-65.8	0	0	0	0	111.7	C664 V683 Y684 Q689 M690 C691 F699	C664-C687 WeakPolarHBondContact CB-SG 3.25Å; V683-C687 PolarHBondContact O-N 3.3Å; V683-C687 PolarHBondContact O-SG 2.84Å; Y684-C687 WeakPolarHBondContact O-CB 3.36Å; Y684-C687 PolarHBondContact O-N 2.67Å; C687-Q689 PolarHBondContact O-N 3.02Å; C687-Q689 VanDerWaalsContact O-N 3.13Å; C687-M690 CarbonylContact O-C 3.59Å; C687-M690 WeakPolarHBondContact O-CA 3.46Å; C687-M690 PolarHBondContact O-N 3.09Å; C687-C691 WeakPolarHBondContact O-CB 3.44Å; C687-C691 PolarHBondContact O-N 3.42Å; C687-C691 PolarHBondContact O-SG 3.48Å; C687-F699 HydrophobicContact CB-CD2 4.17Å; C687-F699 HydrophobicContact CB-CE1 4.27Å; C687-F699 HydrophobicContact CB-CE2 3.21Å; C687-F699 HydrophobicContact CB-CZ 3.3Å
688	A	79.5	Confident	78	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-24.5	-177.9	0	0	0	0	0	113.8	Y684 Y686 M690 F699 W700 W703 I722 V726	Y684-A688 WeakPolarHBondContact O-CB 3.18Å; Y684-A688 PolarHBondContact O-N 2.77Å; Y686-A688 PolarHBondContact O-N 2.94Å; A688-M690 PolarHBondContact O-N 3.26Å; A688-F699 HydrophobicContact CB-CE1 4.28Å; A688-W700 HydrophobicContact CB-CH2 3.74Å; A688-W700 HydrophobicContact CB-CZ2 4.01Å; A688-W703 HydrophobicContact CB-CE3 4.4Å; A688-W703 HydrophobicContact CB-CH2 4.26Å; A688-W703 HydrophobicContact CB-CZ3 3.61Å; A688-I722 HydrophobicContact CB-CG2 3.81Å; A688-V726 HydrophobicContact CB-CG2 4.48Å; A688-V726 WeakPolarHBondContact O-CG1 3.39Å; A688-V726 VanDerWaalsContact O-CG2 3.24Å; A688-V726 WeakPolarHBondContact O-CG2 3.44Å
689	Q	78.5	Confident	77.9	Confident	122 Å²	122	52.7 Å²	52.7	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-73	-20.3	174.7	-55.9	-176.2	23.2	0	0	112.7	Y686 C687 Y730	Y686-Q689 WeakPolarHBondContact O-CB 3.43Å; Y686-Q689 PolarHBondContact O-N 3.36Å; C687-Q689 PolarHBondContact O-N 3.02Å; C687-Q689 VanDerWaalsContact O-N 3.13Å; Q689-Y730 PolarHBondContact O-OH 3.13Å
690	M	69.9	Low	77.9	Confident	41 Å²	41	47.2 Å²	47.2	20%	0.202	24%	0.241	C	C	.	.	H	α-helix	trans	-108.8	-17.5	-177.5	-44.5	-57	-71.1	0	0	113.2	E657 R661 C687 A688 Y730	E657-M690 HydrophobicContact CB-CE 4.33Å; E657-M690 HydrophobicContact CG-CE 3.72Å; E657-M690 WeakPolarHBondContact OE1-CE 3.11Å; R661-M690 HydrophobicContact CG-CB 4.12Å; C687-M690 CarbonylContact O-C 3.59Å; C687-M690 WeakPolarHBondContact O-CA 3.46Å; C687-M690 PolarHBondContact O-N 3.09Å; A688-M690 PolarHBondContact O-N 3.26Å; M690-Y730 PolarHBondContact O-OH 3.38Å
691	C	65.8	Low	77.8	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	26%	0.264	C	S	.	.	S	Bend	trans	-102.3	98	-172.3	-60.7	0	0	0	0	112	C687 P693 F699 W700	C687-C691 WeakPolarHBondContact O-CB 3.44Å; C687-C691 PolarHBondContact O-N 3.42Å; C687-C691 PolarHBondContact O-SG 3.48Å; C691-P693 WeakPolarHBondContact O-CD 3.37Å; C691-F699 HydrophobicContact CB-CB 4.47Å; C691-F699 HydrophobicContact CB-CD1 3.75Å; C691-F699 HydrophobicContact CB-CE1 4.24Å; C691-F699 HydrophobicContact CB-CG 4Å; C691-W700 PolarHBondContact O-NE1 2.92Å
692	D	72.8	Confident	77.7	Confident	33 Å²	33	53.1 Å²	53.1	18%	0.176	27%	0.271	C	S	.	.			trans	-61.3	120.4	-177.4	-160.1	-32.5	0	0	0	111.8	R694 T695 E696 Y730	D692-R694 PolarHBondContact O-N 3.09Å; D692-T695 PolarHBondContact O-N 2.91Å; D692-T695 PolarHBondContact O-OG1 2.85Å; D692-E696 PolarHBondContact O-N 3.49Å; D692-Y730 HydrophobicContact CB-CD1 4.34Å; D692-Y730 HydrophobicContact CB-CE1 4.29Å; D692-Y730 HydrophobicContact CB-CG 4.49Å; D692-Y730 WeakPolarHBondContact OD2-CD1 3.32Å
693	P	71.6	Confident	77.7	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.052	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-2.9	-172.4	-23.6	34	0	0	0	116.5	C691 W700 V726 Q727	C691-P693 WeakPolarHBondContact O-CD 3.37Å; P693-W700 HydrophobicContact CG-CZ2 3.86Å; P693-V726 HydrophobicContact CG-CB 4.36Å; P693-V726 HydrophobicContact CG-CG1 3.73Å; P693-Q727 HydrophobicContact CB-CB 4.47Å; P693-Q727 HydrophobicContact CG-CB 4.14Å
694	R	66.2	Low	77.6	Confident	140 Å²	140	55.4 Å²	55.4	53%	0.528	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-43.6	174.4	-75	-178	167.1	122.3	0.9	113.4	D692 N731	D692-R694 PolarHBondContact O-N 3.09Å; R694-N731 PolarHBondContact NH1-OD1 3.39Å; R694-N731 PolarHBondContact NH2-OD1 3.02Å
695	T	68.9	Low	77.6	Confident	100 Å²	100	61.3 Å²	61.3	61%	0.613	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-48	-175.1	50.3	0	0	0	0	110.9	D692 T697	D692-T695 PolarHBondContact O-N 2.91Å; D692-T695 PolarHBondContact O-OG1 2.85Å; T695-T697 PolarHBondContact O-N 3.44Å
696	E	65.2	Low	77.7	Confident	62 Å²	62	60 Å²	60	29%	0.29	28%	0.284	S	S	.	.			trans	-102	60.1	-170.9	-68.6	-174.1	138.6	0	0	112.6	R661 D692 Q698 F699	R661-E696 VanDerWaalsContact CD-OE2 3.27Å; R661-E696 WeakPolarHBondContact CD-OE2 3.46Å; R661-E696 IonicContact CZ-OE1 3.51Å; R661-E696 IonicContact CZ-OE2 3.58Å; R661-E696 IonicContact NE-OE2 2.64Å; R661-E696 IonicContact NH1-OE1 3.26Å; R661-E696 PolarHBondContact NH1-OE1 3.23Å; R661-E696 IonicContact NH1-OE2 3.01Å; R661-E696 PolarHBondContact NH1-OE2 3.04Å; D692-E696 PolarHBondContact O-N 3.49Å; E696-Q698 PolarHBondContact O-N 3.4Å; E696-Q698 VanDerWaalsContact O-N 3.15Å; E696-F699 HydrophobicContact CB-CB 4.32Å; E696-F699 PolarHBondContact O-N 3.19Å; E696-F699 VanDerWaalsContact O-N 3.12Å
697	T	76.5	Confident	77.7	Confident	71 Å²	71	55.6 Å²	55.6	44%	0.436	27%	0.267	S	S	.	.	H	α-helix	trans	-54.3	-31.5	174.3	56.3	0	0	0	0	113	T695 W700 Q701	T695-T697 PolarHBondContact O-N 3.44Å; T697-W700 PolarHBondContact O-N 2.69Å; T697-Q701 VanDerWaalsContact O-CG 3.32Å; T697-Q701 WeakPolarHBondContact O-CG 3.46Å; T697-Q701 PolarHBondContact O-N 3.37Å
698	Q	78.9	Confident	77.8	Confident	142 Å²	142	60.3 Å²	60.3	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-61.7	-43	176.5	-65.2	179.8	-3.4	0	0	113	E696 W700 Q701 I702	E696-Q698 PolarHBondContact O-N 3.4Å; E696-Q698 VanDerWaalsContact O-N 3.15Å; Q698-W700 VanDerWaalsContact C-N 3.32Å; Q698-W700 PolarHBondContact O-N 2.67Å; Q698-Q701 WeakPolarHBondContact O-CB 3.38Å; Q698-Q701 PolarHBondContact O-N 2.72Å; Q698-Q701 VanDerWaalsContact O-N 3.15Å; Q698-I702 WeakPolarHBondContact O-CG1 3.42Å; Q698-I702 PolarHBondContact O-N 3.32Å
699	F	81.5	Confident	78	Confident	6 Å²	6	65 Å²	65	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-46.3	176.4	171	-94.4	0	0	0	110.9	L665 Y684 C687 A688 C691 E696 Q701 I702 W703	L665-F699 HydrophobicContact CD2-CD2 3.9Å; L665-F699 HydrophobicContact CD2-CE2 4.39Å; L665-F699 HydrophobicContact CG-CD2 4.33Å; Y684-F699 AromaticContact CD1-CE2 3.73Å; Y684-F699 HydrophobicContact CD1-CE2 3.73Å; Y684-F699 AromaticContact CD1-CZ 3.96Å; Y684-F699 HydrophobicContact CD1-CZ 3.96Å; Y684-F699 HydrophobicContact CE1-CE2 4.36Å; Y684-F699 WeakPolarHBondContact O-CZ 3.37Å; C687-F699 HydrophobicContact CB-CD2 4.17Å; C687-F699 HydrophobicContact CB-CE1 4.27Å; C687-F699 HydrophobicContact CB-CE2 3.21Å; C687-F699 HydrophobicContact CB-CZ 3.3Å; A688-F699 HydrophobicContact CB-CE1 4.28Å; C691-F699 HydrophobicContact CB-CB 4.47Å; C691-F699 HydrophobicContact CB-CD1 3.75Å; C691-F699 HydrophobicContact CB-CE1 4.24Å; C691-F699 HydrophobicContact CB-CG 4Å; E696-F699 HydrophobicContact CB-CB 4.32Å; E696-F699 PolarHBondContact O-N 3.19Å; E696-F699 VanDerWaalsContact O-N 3.12Å; F699-Q701 VanDerWaalsContact C-N 3.27Å; F699-Q701 PolarHBondContact O-N 2.85Å; F699-I702 PolarHBondContact O-N 2.97Å; F699-W703 AromaticContact CE1-CE3 3.9Å; F699-W703 HydrophobicContact CE1-CE3 3.9Å; F699-W703 HydrophobicContact CZ-CE3 4.13Å; F699-W703 PolarHBondContact O-N 3.15Å
700	W	82.9	Confident	77.8	Confident	5 Å²	5	62.5 Å²	62.5	2%	0.019	31%	0.313	C	S	.	.	H	α-helix	trans	-71.7	-17.5	179	-67.3	98.2	0	0	0	113.9	A688 C691 P693 T697 Q698 W703 K704 M719 I722 R723 V726	A688-W700 HydrophobicContact CB-CH2 3.74Å; A688-W700 HydrophobicContact CB-CZ2 4.01Å; C691-W700 PolarHBondContact O-NE1 2.92Å; P693-W700 HydrophobicContact CG-CZ2 3.86Å; T697-W700 PolarHBondContact O-N 2.69Å; Q698-W700 VanDerWaalsContact C-N 3.32Å; Q698-W700 PolarHBondContact O-N 2.67Å; W700-W703 AromaticContact CE3-CE3 3.89Å; W700-W703 HydrophobicContact CE3-CE3 3.89Å; W700-W703 HydrophobicContact CE3-CZ3 4.22Å; W700-W703 HydrophobicContact CH2-CE3 4.16Å; W700-W703 AromaticContact CH2-CZ3 3.72Å; W700-W703 HydrophobicContact CH2-CZ3 3.72Å; W700-W703 AromaticContact CZ3-CE3 3.51Å; W700-W703 HydrophobicContact CZ3-CE3 3.51Å; W700-W703 AromaticContact CZ3-CZ3 3.36Å; W700-W703 HydrophobicContact CZ3-CZ3 3.36Å; W700-K704 VanDerWaalsContact O-CB 3.29Å; W700-K704 WeakPolarHBondContact O-CB 3.45Å; W700-K704 PolarHBondContact O-N 3.37Å; W700-M719 HydrophobicContact CE3-SD 4.37Å; W700-M719 HydrophobicContact CZ3-SD 4.43Å; W700-I722 HydrophobicContact CH2-CG2 4.42Å; W700-R723 HydrophobicContact CD2-CG 4.11Å; W700-R723 HydrophobicContact CE3-CB 3.91Å; W700-R723 HydrophobicContact CE3-CG 3.74Å; W700-R723 VanDerWaalsContact CH2-CA 3.45Å; W700-R723 HydrophobicContact CH2-CB 3.78Å; W700-R723 HydrophobicContact CH2-CG 4.02Å; W700-R723 HydrophobicContact CZ2-CG 4.38Å; W700-R723 HydrophobicContact CZ3-CB 3.39Å; W700-R723 HydrophobicContact CZ3-CG 3.69Å; W700-V726 HydrophobicContact CZ2-CG1 4.3Å
701	Q	83	Confident	78.1	Confident	105 Å²	105	61.9 Å²	61.9	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-76.9	-51.5	168.1	-73.9	163.3	-8.9	0	0	110.6	T697 Q698 F699 W703 K704 E705	T697-Q701 VanDerWaalsContact O-CG 3.32Å; T697-Q701 WeakPolarHBondContact O-CG 3.46Å; T697-Q701 PolarHBondContact O-N 3.37Å; Q698-Q701 WeakPolarHBondContact O-CB 3.38Å; Q698-Q701 PolarHBondContact O-N 2.72Å; Q698-Q701 VanDerWaalsContact O-N 3.15Å; F699-Q701 VanDerWaalsContact C-N 3.27Å; F699-Q701 PolarHBondContact O-N 2.85Å; Q701-W703 PolarHBondContact O-N 3.32Å; Q701-K704 WeakPolarHBondContact O-CB 3.45Å; Q701-K704 PolarHBondContact O-N 3.47Å; Q701-K704 VanDerWaalsContact O-N 3.09Å; Q701-E705 WeakPolarHBondContact O-CG 3.26Å; Q701-E705 PolarHBondContact O-N 2.92Å
702	I	84.5	Confident	78.6	Confident	64 Å²	64	67.7 Å²	67.7	33%	0.328	35%	0.348	S	S	.	.	H	α-helix	trans	-57.9	-46.3	179.3	-65.5	164	0	0	0	111.2	L665 Y684 Q698 F699 K704 E705 F706	L665-I702 HydrophobicContact CD2-CD1 4.22Å; Y684-I702 HydrophobicContact CE1-CG2 4.11Å; Q698-I702 WeakPolarHBondContact O-CG1 3.42Å; Q698-I702 PolarHBondContact O-N 3.32Å; F699-I702 PolarHBondContact O-N 2.97Å; I702-K704 PolarHBondContact O-N 2.86Å; I702-E705 PolarHBondContact O-N 3.09Å; I702-F706 WeakPolarHBondContact O-CB 3.49Å; I702-F706 PolarHBondContact O-N 3.39Å
703	W	85.7	Confident	78.8	Confident	7 Å²	7	72.5 Å²	72.5	3%	0.027	37%	0.369	C	S	.	.	H	α-helix	trans	-67	-35.2	177.4	-173	18.5	0	0	0	112.3	Y684 A688 F699 W700 Q701 F706 E707 M719 I722	Y684-W703 HydrophobicContact CD1-CB 3.95Å; Y684-W703 HydrophobicContact CD1-CG 4.06Å; Y684-W703 AromaticContact CD2-CD1 3.76Å; Y684-W703 HydrophobicContact CD2-CG 4.37Å; Y684-W703 HydrophobicContact CE1-CB 4.37Å; Y684-W703 HydrophobicContact CG-CB 4.22Å; Y684-W703 AromaticContact CG-CD1 3.64Å; Y684-W703 HydrophobicContact CG-CD2 4.35Å; Y684-W703 AromaticContact CG-CG 3.84Å; Y684-W703 HydrophobicContact CG-CG 3.84Å; A688-W703 HydrophobicContact CB-CE3 4.4Å; A688-W703 HydrophobicContact CB-CH2 4.26Å; A688-W703 HydrophobicContact CB-CZ3 3.61Å; F699-W703 AromaticContact CE1-CE3 3.9Å; F699-W703 HydrophobicContact CE1-CE3 3.9Å; F699-W703 HydrophobicContact CZ-CE3 4.13Å; F699-W703 PolarHBondContact O-N 3.15Å; W700-W703 AromaticContact CE3-CE3 3.89Å; W700-W703 HydrophobicContact CE3-CE3 3.89Å; W700-W703 HydrophobicContact CE3-CZ3 4.22Å; W700-W703 HydrophobicContact CH2-CE3 4.16Å; W700-W703 AromaticContact CH2-CZ3 3.72Å; W700-W703 HydrophobicContact CH2-CZ3 3.72Å; W700-W703 AromaticContact CZ3-CE3 3.51Å; W700-W703 HydrophobicContact CZ3-CE3 3.51Å; W700-W703 AromaticContact CZ3-CZ3 3.36Å; W700-W703 HydrophobicContact CZ3-CZ3 3.36Å; Q701-W703 PolarHBondContact O-N 3.32Å; W703-F706 PolarHBondContact O-N 3.15Å; W703-E707 PolarHBondContact NE1-OE1 2.99Å; W703-E707 PolarHBondContact O-N 3.23Å; W703-M719 HydrophobicContact CD2-CB 4.45Å; W703-M719 HydrophobicContact CD2-CG 3.52Å; W703-M719 HydrophobicContact CE3-CG 3.68Å; W703-M719 HydrophobicContact CG-CG 4.14Å; W703-M719 HydrophobicContact CH2-CB 4.19Å; W703-M719 HydrophobicContact CH2-CG 3.93Å; W703-M719 HydrophobicContact CZ2-CB 3.85Å; W703-M719 HydrophobicContact CZ2-CG 3.77Å; W703-M719 HydrophobicContact CZ3-CG 3.87Å; W703-I722 HydrophobicContact CH2-CB 4.1Å; W703-I722 HydrophobicContact CH2-CD1 3.85Å; W703-I722 HydrophobicContact CH2-CG2 3.95Å; W703-I722 HydrophobicContact CZ2-CD1 4.41Å; W703-I722 HydrophobicContact CZ3-CG2 4.14Å
704	K	84	Confident	79.2	Confident	120 Å²	120	77.1 Å²	77.1	52%	0.522	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-44.5	173.3	-177	-167.7	172.3	-162.9	0	111.5	W700 Q701 I702 F706 E707 V708 M719	W700-K704 VanDerWaalsContact O-CB 3.29Å; W700-K704 WeakPolarHBondContact O-CB 3.45Å; W700-K704 PolarHBondContact O-N 3.37Å; Q701-K704 WeakPolarHBondContact O-CB 3.45Å; Q701-K704 PolarHBondContact O-N 3.47Å; Q701-K704 VanDerWaalsContact O-N 3.09Å; I702-K704 PolarHBondContact O-N 2.86Å; K704-F706 VanDerWaalsContact C-N 3.3Å; K704-F706 PolarHBondContact O-N 3.24Å; K704-E707 PolarHBondContact O-N 3.42Å; K704-V708 HydrophobicContact CG-CG2 4.38Å; K704-V708 WeakPolarHBondContact O-CB 3.2Å; K704-V708 VanDerWaalsContact O-CG2 3.23Å; K704-V708 WeakPolarHBondContact O-CG2 3.25Å; K704-V708 PolarHBondContact O-N 3.34Å; K704-M719 HydrophobicContact CB-CE 4.12Å; K704-M719 HydrophobicContact CG-CE 4.21Å
705	E	85.9	Confident	79.8	Confident	125 Å²	125	72.3 Å²	72.3	58%	0.584	38%	0.38	S	S	*	.	H	α-helix	trans	-62.8	-38.8	176.6	-73	169.8	-165.2	0	0	111.4	Q701 I702 V708 T709	Q701-E705 WeakPolarHBondContact O-CG 3.26Å; Q701-E705 PolarHBondContact O-N 2.92Å; I702-E705 PolarHBondContact O-N 3.09Å; E705-V708 PolarHBondContact O-N 3.12Å; E705-T709 WeakPolarHBondContact O-CB 3.02Å; E705-T709 WeakPolarHBondContact O-CG2 3.42Å; E705-T709 PolarHBondContact O-N 3.41Å; E705-T709 PolarHBondContact O-OG1 3.27Å
706	F	84.3	Confident	80.3	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-62.1	-48.5	173.9	174.1	-95	0	0	0	113	R672 I677 A680 R681 Y684 I702 W703 K704 T709 H710	R672-F706 HydrophobicContact CB-CE2 4.47Å; R672-F706 HydrophobicContact CG-CD2 4.32Å; R672-F706 HydrophobicContact CG-CE2 4.29Å; I677-F706 HydrophobicContact CB-CZ 4.45Å; I677-F706 HydrophobicContact CG2-CE1 4.31Å; I677-F706 HydrophobicContact CG2-CE2 4.32Å; I677-F706 HydrophobicContact CG2-CZ 3.61Å; A680-F706 HydrophobicContact CB-CE1 4.47Å; A680-F706 HydrophobicContact CB-CE2 3.8Å; A680-F706 HydrophobicContact CB-CZ 3.6Å; R681-F706 HydrophobicContact CG-CE1 3.71Å; R681-F706 HydrophobicContact CG-CZ 4.29Å; Y684-F706 AromaticContact CD2-CD1 3.76Å; Y684-F706 HydrophobicContact CD2-CD1 3.76Å; Y684-F706 AromaticContact CD2-CE1 3.98Å; Y684-F706 HydrophobicContact CD2-CE1 3.98Å; Y684-F706 HydrophobicContact CD2-CG 4.12Å; Y684-F706 HydrophobicContact CE2-CB 3.98Å; Y684-F706 AromaticContact CE2-CD1 3.64Å; Y684-F706 HydrophobicContact CE2-CD1 3.64Å; Y684-F706 AromaticContact CE2-CD2 3.8Å; Y684-F706 HydrophobicContact CE2-CD2 3.8Å; Y684-F706 HydrophobicContact CE2-CE1 4.03Å; Y684-F706 HydrophobicContact CE2-CE2 4.17Å; Y684-F706 AromaticContact CE2-CG 3.51Å; Y684-F706 HydrophobicContact CE2-CG 3.51Å; Y684-F706 HydrophobicContact CE2-CZ 4.27Å; I702-F706 WeakPolarHBondContact O-CB 3.49Å; I702-F706 PolarHBondContact O-N 3.39Å; W703-F706 PolarHBondContact O-N 3.15Å; K704-F706 VanDerWaalsContact C-N 3.3Å; K704-F706 PolarHBondContact O-N 3.24Å; F706-T709 WeakPolarHBondContact CA-OG1 3.41Å; F706-T709 PolarHBondContact O-N 2.84Å; F706-T709 PolarHBondContact O-OG1 3.1Å; F706-H710 AromaticContact CD2-ND1 3.7Å; F706-H710 AromaticContact CE2-ND1 3.89Å; F706-H710 PolarHBondContact O-N 3.29Å; F706-H710 PolarHBondContact O-ND1 3.48Å
707	E	85	Confident	81.2	Confident	7 Å²	7	72.9 Å²	72.9	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-70.6	-29.2	176	-67.8	-59.4	159.4	0	0	112.9	R681 W703 K704 T709 G711 T715 L716 M719	R681-E707 WeakPolarHBondContact CG-OE1 3.39Å; R681-E707 IonicContact CZ-OE2 3.61Å; R681-E707 IonicContact NE-OE1 2.78Å; R681-E707 PolarHBondContact NE-OE1 2.92Å; R681-E707 IonicContact NE-OE2 3.78Å; R681-E707 PolarHBondContact NE-OE2 2.97Å; R681-E707 IonicContact NH2-OE2 2.68Å; R681-E707 PolarHBondContact NH2-OE2 3.27Å; W703-E707 PolarHBondContact NE1-OE1 2.99Å; W703-E707 PolarHBondContact O-N 3.23Å; K704-E707 PolarHBondContact O-N 3.42Å; E707-T709 VanDerWaalsContact C-N 3.27Å; E707-T709 PolarHBondContact O-N 2.98Å; E707-G711 WeakPolarHBondContact O-CA 3.45Å; E707-G711 PolarHBondContact O-N 3.06Å; E707-T715 VanDerWaalsContact OE2-CB 3.26Å; E707-T715 WeakPolarHBondContact OE2-CB 3.45Å; E707-T715 PolarHBondContact OE2-OG1 3.19Å; E707-L716 HydrophobicContact CB-CD1 4.04Å; E707-M719 HydrophobicContact CG-CB 4.46Å
708	V	84.1	Confident	81.3	Confident	100 Å²	100	73.3 Å²	73.3	61%	0.606	37%	0.369	S	S	*	.	H	α-helix	trans	-68.9	-26.3	172.5	166.4	0	0	0	0	112	K704 E705 L716	K704-V708 HydrophobicContact CG-CG2 4.38Å; K704-V708 WeakPolarHBondContact O-CB 3.2Å; K704-V708 VanDerWaalsContact O-CG2 3.23Å; K704-V708 WeakPolarHBondContact O-CG2 3.25Å; K704-V708 PolarHBondContact O-N 3.34Å; E705-V708 PolarHBondContact O-N 3.12Å; V708-L716 HydrophobicContact CG2-CD1 4.3Å
709	T	81.9	Confident	81.4	Confident	97 Å²	97	66.8 Å²	66.8	60%	0.595	34%	0.338	S	S	*	.	H	α-helix	trans	-94.4	-22.9	179.9	43.7	0	0	0	0	114.5	E705 F706 E707	E705-T709 WeakPolarHBondContact O-CB 3.02Å; E705-T709 WeakPolarHBondContact O-CG2 3.42Å; E705-T709 PolarHBondContact O-N 3.41Å; E705-T709 PolarHBondContact O-OG1 3.27Å; F706-T709 WeakPolarHBondContact CA-OG1 3.41Å; F706-T709 PolarHBondContact O-N 2.84Å; F706-T709 PolarHBondContact O-OG1 3.1Å; E707-T709 VanDerWaalsContact C-N 3.27Å; E707-T709 PolarHBondContact O-N 2.98Å
710	H	75.6	Confident	81.5	Confident	71 Å²	71	69.8 Å²	69.8	33%	0.329	35%	0.354	S	S	.	.	H	α-helix	trans	-132.6	0.8	-174	-51.7	83.3	0	0	0	114.7	I677 R681 F706	I677-H710 HydrophobicContact CD1-CB 4.2Å; I677-H710 HydrophobicContact CG1-CB 4.42Å; I677-H710 HydrophobicContact CG2-CB 3.67Å; R681-H710 PolarHBondContact NH2-O 2.95Å; F706-H710 AromaticContact CD2-ND1 3.7Å; F706-H710 AromaticContact CE2-ND1 3.89Å; F706-H710 PolarHBondContact O-N 3.29Å; F706-H710 PolarHBondContact O-ND1 3.48Å
711	G	76	Confident	81.6	Confident	28 Å²	28	77 Å²	77	29%	0.289	38%	0.381	S	S	.	.			trans	-109.7	167.1	-167.6	0	0	0	0	0	115.9	R681 E707 T715	R681-G711 VanDerWaalsContact NH2-CA 3.29Å; E707-G711 WeakPolarHBondContact O-CA 3.45Å; E707-G711 PolarHBondContact O-N 3.06Å; G711-T715 VanDerWaalsContact CA-OG1 3.29Å; G711-T715 WeakPolarHBondContact CA-OG1 3.39Å
712	N	75.4	Confident	81.7	Confident	125 Å²	125	73.8 Å²	73.8	67%	0.668	37%	0.367	S	S	*	.			trans	-102.4	168	170.8	-69	-32.4	0	0	0	109	D714 T715 L716	N712-D714 PolarHBondContact O-N 3.27Å; N712-D714 VanDerWaalsContact O-N 3.08Å; N712-T715 PolarHBondContact N-OG1 3.09Å; N712-T715 VanDerWaalsContact N-OG1 3.11Å; N712-T715 PolarHBondContact O-N 3.32Å; N712-T715 VanDerWaalsContact O-N 3.08Å; N712-T715 PolarHBondContact O-OG1 3.34Å; N712-T715 VanDerWaalsContact O-OG1 3.14Å; N712-L716 PolarHBondContact O-N 2.84Å; N712-L716 VanDerWaalsContact O-N 3.13Å
713	E	77.6	Confident	81.7	Confident	133 Å²	133	74.8 Å²	74.8	62%	0.621	37%	0.367	S	S	*	.	H	α-helix	trans	-52.2	-36	174.6	-63.4	-164.9	148.4	0	0	112.4	R717	E713-R717 WeakPolarHBondContact O-CB 3.31Å; E713-R717 WeakPolarHBondContact O-CD 3.29Å; E713-R717 WeakPolarHBondContact O-CG 3.46Å; E713-R717 PolarHBondContact O-N 2.93Å; E713-R717 IonicContact OE2-CZ 3.73Å; E713-R717 VanDerWaalsContact OE2-CZ 3.31Å; E713-R717 IonicContact OE2-NH1 2.75Å; E713-R717 PolarHBondContact OE2-NH1 3.22Å; E713-R717 IonicContact OE2-NH2 3.97Å; E713-R717 PolarHBondContact OE2-NH2 2.88Å
714	D	81.1	Confident	81.5	Confident	106 Å²	106	83.3 Å²	83.3	57%	0.567	40%	0.399	S	S	*	.	H	α-helix	trans	-74.7	-31.4	-178.8	-61.7	-43.8	0	0	0	113.9	N712 R717 E718	N712-D714 PolarHBondContact O-N 3.27Å; N712-D714 VanDerWaalsContact O-N 3.08Å; D714-R717 PolarHBondContact O-N 3.47Å; D714-R717 WeakPolarHBondContact OD1-CD 3.45Å; D714-R717 IonicContact OD1-CZ 3.68Å; D714-R717 IonicContact OD1-NE 2.68Å; D714-R717 IonicContact OD1-NH1 3.9Å; D714-R717 PolarHBondContact OD1-NH1 2.88Å; D714-E718 PolarHBondContact O-N 3.47Å
715	T	77.1	Confident	81.5	Confident	39 Å²	39	80.7 Å²	80.7	24%	0.239	40%	0.396	C	S	.	.	H	α-helix	trans	-73.1	-35.7	173.4	68.1	0	0	0	0	110.8	E707 G711 N712 E718 M719	E707-T715 VanDerWaalsContact OE2-CB 3.26Å; E707-T715 WeakPolarHBondContact OE2-CB 3.45Å; E707-T715 PolarHBondContact OE2-OG1 3.19Å; G711-T715 VanDerWaalsContact CA-OG1 3.29Å; G711-T715 WeakPolarHBondContact CA-OG1 3.39Å; N712-T715 PolarHBondContact N-OG1 3.09Å; N712-T715 VanDerWaalsContact N-OG1 3.11Å; N712-T715 PolarHBondContact O-N 3.32Å; N712-T715 VanDerWaalsContact O-N 3.08Å; N712-T715 PolarHBondContact O-OG1 3.34Å; N712-T715 VanDerWaalsContact O-OG1 3.14Å; T715-E718 PolarHBondContact O-N 2.95Å; T715-M719 PolarHBondContact O-N 3.13Å
716	L	80.2	Confident	81.3	Confident	56 Å²	56	75.1 Å²	75.1	29%	0.293	37%	0.37	S	S	.	.	H	α-helix	trans	-64.7	-41.5	170.5	-164.9	83.9	0	0	0	111.9	E707 V708 N712 E718 M719 L720	E707-L716 HydrophobicContact CB-CD1 4.04Å; V708-L716 HydrophobicContact CG2-CD1 4.3Å; N712-L716 PolarHBondContact O-N 2.84Å; N712-L716 VanDerWaalsContact O-N 3.13Å; L716-E718 VanDerWaalsContact C-N 3.32Å; L716-E718 PolarHBondContact O-N 3.45Å; L716-M719 HydrophobicContact CD1-CE 3.73Å; L716-M719 HydrophobicContact CG-CE 4.35Å; L716-M719 PolarHBondContact O-N 3.03Å; L716-L720 WeakPolarHBondContact O-CG 3.45Å; L716-L720 PolarHBondContact O-N 3.09Å
717	R	83.1	Confident	81.2	Confident	118 Å²	118	78.5 Å²	78.5	45%	0.445	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-40.8	173.5	-76.1	163.8	-177.3	135.4	11.9	111.3	E713 D714 L720 R721	E713-R717 WeakPolarHBondContact O-CB 3.31Å; E713-R717 WeakPolarHBondContact O-CD 3.29Å; E713-R717 WeakPolarHBondContact O-CG 3.46Å; E713-R717 PolarHBondContact O-N 2.93Å; E713-R717 IonicContact OE2-CZ 3.73Å; E713-R717 VanDerWaalsContact OE2-CZ 3.31Å; E713-R717 IonicContact OE2-NH1 2.75Å; E713-R717 PolarHBondContact OE2-NH1 3.22Å; E713-R717 IonicContact OE2-NH2 3.97Å; E713-R717 PolarHBondContact OE2-NH2 2.88Å; D714-R717 PolarHBondContact O-N 3.47Å; D714-R717 WeakPolarHBondContact OD1-CD 3.45Å; D714-R717 IonicContact OD1-CZ 3.68Å; D714-R717 IonicContact OD1-NE 2.68Å; D714-R717 IonicContact OD1-NH1 3.9Å; D714-R717 PolarHBondContact OD1-NH1 2.88Å; R717-L720 PolarHBondContact O-N 3.31Å; R717-R721 WeakPolarHBondContact O-CG 3.44Å; R717-R721 PolarHBondContact O-N 3.23Å
718	E	80.6	Confident	80.9	Confident	79 Å²	79	80.5 Å²	80.5	37%	0.369	40%	0.404	S	S	.	.	H	α-helix	trans	-71.9	-40.9	178.8	-159.5	56.6	-123.6	0	0	112.5	D714 T715 L716 L720 R721 I722	D714-E718 PolarHBondContact O-N 3.47Å; T715-E718 PolarHBondContact O-N 2.95Å; L716-E718 VanDerWaalsContact C-N 3.32Å; L716-E718 PolarHBondContact O-N 3.45Å; E718-L720 PolarHBondContact O-N 2.99Å; E718-R721 WeakPolarHBondContact O-CA 3.47Å; E718-R721 WeakPolarHBondContact O-CB 3.37Å; E718-R721 PolarHBondContact O-N 3.41Å; E718-R721 WeakPolarHBondContact OE1-CB 3.46Å; E718-R721 WeakPolarHBondContact OE1-CD 3.23Å; E718-R721 WeakPolarHBondContact OE2-CD 3.36Å; E718-R721 IonicContact OE2-CZ 3.31Å; E718-R721 IonicContact OE2-NE 2.67Å; E718-R721 IonicContact OE2-NH1 3.18Å; E718-R721 PolarHBondContact OE2-NH1 3.23Å; E718-I722 HydrophobicContact CG-CD1 4.31Å; E718-I722 WeakPolarHBondContact O-CG1 3.29Å; E718-I722 PolarHBondContact O-N 3.04Å
719	M	80.8	Confident	80.7	Confident	5 Å²	5	78.9 Å²	78.9	3%	0.025	39%	0.394	C	S	.	.	H	α-helix	trans	-56	-40.6	169.5	177	-84.8	-69.2	0	0	111.6	W700 W703 K704 E707 T715 L716 I722 R723	W700-M719 HydrophobicContact CE3-SD 4.37Å; W700-M719 HydrophobicContact CZ3-SD 4.43Å; W703-M719 HydrophobicContact CD2-CB 4.45Å; W703-M719 HydrophobicContact CD2-CG 3.52Å; W703-M719 HydrophobicContact CE3-CG 3.68Å; W703-M719 HydrophobicContact CG-CG 4.14Å; W703-M719 HydrophobicContact CH2-CB 4.19Å; W703-M719 HydrophobicContact CH2-CG 3.93Å; W703-M719 HydrophobicContact CZ2-CB 3.85Å; W703-M719 HydrophobicContact CZ2-CG 3.77Å; W703-M719 HydrophobicContact CZ3-CG 3.87Å; K704-M719 HydrophobicContact CB-CE 4.12Å; K704-M719 HydrophobicContact CG-CE 4.21Å; E707-M719 HydrophobicContact CG-CB 4.46Å; T715-M719 PolarHBondContact O-N 3.13Å; L716-M719 HydrophobicContact CD1-CE 3.73Å; L716-M719 HydrophobicContact CG-CE 4.35Å; L716-M719 PolarHBondContact O-N 3.03Å; M719-I722 PolarHBondContact O-N 3.28Å; M719-R723 WeakPolarHBondContact O-CB 3.44Å; M719-R723 PolarHBondContact O-N 2.81Å
720	L	82.7	Confident	80.1	Confident	69 Å²	69	75.8 Å²	75.8	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-71.8	-27.4	175.5	-69.8	173.4	0	0	0	113.8	L716 R717 E718 R724	L716-L720 WeakPolarHBondContact O-CG 3.45Å; L716-L720 PolarHBondContact O-N 3.09Å; R717-L720 PolarHBondContact O-N 3.31Å; E718-L720 PolarHBondContact O-N 2.99Å; L720-R724 VanDerWaalsContact O-CG 3.25Å; L720-R724 WeakPolarHBondContact O-CG 3.49Å; L720-R724 PolarHBondContact O-N 3.18Å
721	R	85.7	Confident	80.1	Confident	157 Å²	157	75.2 Å²	75.2	59%	0.592	37%	0.372	S	S	*	.	H	α-helix	trans	-69.2	-49.3	169.7	-76.2	165.7	171.4	175.9	-0.6	110.7	R717 E718 R723 R724 S725	R717-R721 WeakPolarHBondContact O-CG 3.44Å; R717-R721 PolarHBondContact O-N 3.23Å; E718-R721 WeakPolarHBondContact O-CA 3.47Å; E718-R721 WeakPolarHBondContact O-CB 3.37Å; E718-R721 PolarHBondContact O-N 3.41Å; E718-R721 WeakPolarHBondContact OE1-CB 3.46Å; E718-R721 WeakPolarHBondContact OE1-CD 3.23Å; E718-R721 WeakPolarHBondContact OE2-CD 3.36Å; E718-R721 IonicContact OE2-CZ 3.31Å; E718-R721 IonicContact OE2-NE 2.67Å; E718-R721 IonicContact OE2-NH1 3.18Å; E718-R721 PolarHBondContact OE2-NH1 3.23Å; R721-R723 VanDerWaalsContact C-N 3.31Å; R721-R723 PolarHBondContact O-N 3.47Å; R721-R724 PolarHBondContact O-N 2.97Å; R721-S725 PolarHBondContact O-N 3.43Å; R721-S725 PolarHBondContact O-OG 2.9Å
722	I	84.8	Confident	80.1	Confident	38 Å²	38	78.4 Å²	78.4	20%	0.195	39%	0.385	C	S	.	.	H	α-helix	trans	-59.1	-43.7	176.2	-64.2	166	0	0	0	110	A685 A688 W700 W703 E718 M719 R724 S725 V726	A685-I722 HydrophobicContact CB-CD1 4.43Å; A688-I722 HydrophobicContact CB-CG2 3.81Å; W700-I722 HydrophobicContact CH2-CG2 4.42Å; W703-I722 HydrophobicContact CH2-CB 4.1Å; W703-I722 HydrophobicContact CH2-CD1 3.85Å; W703-I722 HydrophobicContact CH2-CG2 3.95Å; W703-I722 HydrophobicContact CZ2-CD1 4.41Å; W703-I722 HydrophobicContact CZ3-CG2 4.14Å; E718-I722 HydrophobicContact CG-CD1 4.31Å; E718-I722 WeakPolarHBondContact O-CG1 3.29Å; E718-I722 PolarHBondContact O-N 3.04Å; M719-I722 PolarHBondContact O-N 3.28Å; I722-R724 VanDerWaalsContact C-N 3.3Å; I722-R724 PolarHBondContact O-N 3.08Å; I722-S725 WeakPolarHBondContact CA-OG 3.25Å; I722-S725 PolarHBondContact O-N 3.08Å; I722-S725 PolarHBondContact O-OG 3.23Å; I722-S725 VanDerWaalsContact O-OG 3.05Å; I722-V726 HydrophobicContact CG2-CG2 4.03Å; I722-V726 VanDerWaalsContact O-CB 3.27Å; I722-V726 WeakPolarHBondContact O-CB 3.4Å; I722-V726 WeakPolarHBondContact O-CG2 3.49Å; I722-V726 PolarHBondContact O-N 2.64Å
723	R	83.5	Confident	79.5	Confident	85 Å²	85	79.4 Å²	79.4	32%	0.321	38%	0.38	S	S	.	.	H	α-helix	trans	-56.6	-42.4	173.8	-168.1	173.6	174.5	171.4	1.4	112.8	W700 M719 R721 Q727	W700-R723 HydrophobicContact CD2-CG 4.11Å; W700-R723 HydrophobicContact CE3-CB 3.91Å; W700-R723 HydrophobicContact CE3-CG 3.74Å; W700-R723 VanDerWaalsContact CH2-CA 3.45Å; W700-R723 HydrophobicContact CH2-CB 3.78Å; W700-R723 HydrophobicContact CH2-CG 4.02Å; W700-R723 HydrophobicContact CZ2-CG 4.38Å; W700-R723 HydrophobicContact CZ3-CB 3.39Å; W700-R723 HydrophobicContact CZ3-CG 3.69Å; M719-R723 WeakPolarHBondContact O-CB 3.44Å; M719-R723 PolarHBondContact O-N 2.81Å; R721-R723 VanDerWaalsContact C-N 3.31Å; R721-R723 PolarHBondContact O-N 3.47Å; R723-Q727 WeakPolarHBondContact O-CB 3.32Å; R723-Q727 PolarHBondContact O-N 2.68Å
724	R	82.6	Confident	78.8	Confident	186 Å²	186	76.7 Å²	76.7	70%	0.702	37%	0.372	S	S	*	.	H	α-helix	trans	-72.7	-38.9	178.9	-72.8	171.6	-174	-171.6	3.3	112.6	L720 R721 I722 A728	L720-R724 VanDerWaalsContact O-CG 3.25Å; L720-R724 WeakPolarHBondContact O-CG 3.49Å; L720-R724 PolarHBondContact O-N 3.18Å; R721-R724 PolarHBondContact O-N 2.97Å; I722-R724 VanDerWaalsContact C-N 3.3Å; I722-R724 PolarHBondContact O-N 3.08Å; R724-A728 VanDerWaalsContact O-CB 3.25Å; R724-A728 WeakPolarHBondContact O-CB 3.21Å; R724-A728 PolarHBondContact O-N 3.46Å
725	S	84	Confident	78.1	Confident	64 Å²	64	75.5 Å²	75.5	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-69.8	-43.4	177.9	62.8	0	0	0	0	111.3	R721 I722 A728 T729	R721-S725 PolarHBondContact O-N 3.43Å; R721-S725 PolarHBondContact O-OG 2.9Å; I722-S725 WeakPolarHBondContact CA-OG 3.25Å; I722-S725 PolarHBondContact O-N 3.08Å; I722-S725 PolarHBondContact O-OG 3.23Å; I722-S725 VanDerWaalsContact O-OG 3.05Å; S725-A728 CarbonylContact O-C 3.46Å; S725-A728 WeakPolarHBondContact O-CB 3.24Å; S725-A728 PolarHBondContact O-N 3.23Å; S725-T729 PolarHBondContact O-N 3.48Å; S725-T729 PolarHBondContact O-OG1 2.89Å
726	V	81	Confident	77.5	Confident	9 Å²	9	79.5 Å²	79.5	6%	0.055	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-49	172.2	173	0	0	0	0	110.6	A688 P693 W700 I722 A728 T729 Y730	A688-V726 HydrophobicContact CB-CG2 4.48Å; A688-V726 WeakPolarHBondContact O-CG1 3.39Å; A688-V726 VanDerWaalsContact O-CG2 3.24Å; A688-V726 WeakPolarHBondContact O-CG2 3.44Å; P693-V726 HydrophobicContact CG-CB 4.36Å; P693-V726 HydrophobicContact CG-CG1 3.73Å; W700-V726 HydrophobicContact CZ2-CG1 4.3Å; I722-V726 HydrophobicContact CG2-CG2 4.03Å; I722-V726 VanDerWaalsContact O-CB 3.27Å; I722-V726 WeakPolarHBondContact O-CB 3.4Å; I722-V726 WeakPolarHBondContact O-CG2 3.49Å; I722-V726 PolarHBondContact O-N 2.64Å; V726-A728 PolarHBondContact O-N 3.39Å; V726-T729 WeakPolarHBondContact CA-OG1 3.18Å; V726-T729 PolarHBondContact O-N 3.26Å; V726-T729 PolarHBondContact O-OG1 3.4Å; V726-Y730 HydrophobicContact CG1-CD2 3.65Å; V726-Y730 HydrophobicContact CG1-CE2 3.76Å; V726-Y730 WeakPolarHBondContact O-CD2 3.27Å; V726-Y730 PolarHBondContact O-N 3.03Å
727	Q	81.6	Confident	76.7	Confident	76 Å²	76	80.4 Å²	80.4	36%	0.355	39%	0.394	S	S	.	.	H	α-helix	trans	-60.8	-33.4	176.1	-171.5	176.1	5.5	0	0	111.9	P693 R723 N731	P693-Q727 HydrophobicContact CB-CB 4.47Å; P693-Q727 HydrophobicContact CG-CB 4.14Å; R723-Q727 WeakPolarHBondContact O-CB 3.32Å; R723-Q727 PolarHBondContact O-N 2.68Å; Q727-N731 WeakPolarHBondContact O-CB 3.37Å; Q727-N731 PolarHBondContact O-N 2.78Å; Q727-N731 PolarHBondContact O-ND2 3.01Å; Q727-N731 VanDerWaalsContact O-ND2 3.14Å
728	A	79.8	Confident	75.8	Confident	49 Å²	49	76.9 Å²	76.9	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-70.4	-43.1	174.2	0	0	0	0	0	112.6	R724 S725 V726 N731 T732	R724-A728 VanDerWaalsContact O-CB 3.25Å; R724-A728 WeakPolarHBondContact O-CB 3.21Å; R724-A728 PolarHBondContact O-N 3.46Å; S725-A728 CarbonylContact O-C 3.46Å; S725-A728 WeakPolarHBondContact O-CB 3.24Å; S725-A728 PolarHBondContact O-N 3.23Å; V726-A728 PolarHBondContact O-N 3.39Å; A728-N731 PolarHBondContact O-N 3.04Å; A728-T732 WeakPolarHBondContact O-CG2 3.48Å; A728-T732 PolarHBondContact O-N 2.98Å; A728-T732 PolarHBondContact O-OG1 2.98Å
729	T	79	Confident	75	Confident	66 Å²	66	75.2 Å²	75.2	41%	0.405	39%	0.387	S	S	.	.	H	α-helix	trans	-69.5	-36.1	178.5	53.7	0	0	0	0	112.6	S725 V726 T732 R733	S725-T729 PolarHBondContact O-N 3.48Å; S725-T729 PolarHBondContact O-OG1 2.89Å; V726-T729 WeakPolarHBondContact CA-OG1 3.18Å; V726-T729 PolarHBondContact O-N 3.26Å; V726-T729 PolarHBondContact O-OG1 3.4Å; T729-T732 PolarHBondContact O-OG1 3.41Å; T729-R733 VanDerWaalsContact O-CB 3.32Å; T729-R733 WeakPolarHBondContact O-CB 3.2Å; T729-R733 WeakPolarHBondContact O-CG 3.32Å; T729-R733 PolarHBondContact O-N 3.38Å
730	Y	70.1	Confident	74	Confident	32 Å²	32	79.4 Å²	79.4	13%	0.125	41%	0.407	C	S	.	.	H	α-helix	trans	-72.2	-35.1	170.5	-78	-80.5	0	0	0	111.9	Q689 M690 D692 V726 R733 V734	Q689-Y730 PolarHBondContact O-OH 3.13Å; M690-Y730 PolarHBondContact O-OH 3.38Å; D692-Y730 HydrophobicContact CB-CD1 4.34Å; D692-Y730 HydrophobicContact CB-CE1 4.29Å; D692-Y730 HydrophobicContact CB-CG 4.49Å; D692-Y730 WeakPolarHBondContact OD2-CD1 3.32Å; V726-Y730 HydrophobicContact CG1-CD2 3.65Å; V726-Y730 HydrophobicContact CG1-CE2 3.76Å; V726-Y730 WeakPolarHBondContact O-CD2 3.27Å; V726-Y730 PolarHBondContact O-N 3.03Å; Y730-R733 PolarHBondContact O-N 3.41Å; Y730-V734 WeakPolarHBondContact O-CB 3.19Å; Y730-V734 VanDerWaalsContact O-CG2 3.25Å; Y730-V734 WeakPolarHBondContact O-CG2 3.49Å; Y730-V734 PolarHBondContact O-N 2.82Å
731	N	75.2	Confident	73	Confident	60 Å²	60	81.1 Å²	81.1	32%	0.321	42%	0.416	S	S	.	.	H	α-helix	trans	-62.1	-43.7	170.6	-83.2	-25.4	0	0	0	112.8	R694 Q727 A728 S735	R694-N731 PolarHBondContact NH1-OD1 3.39Å; R694-N731 PolarHBondContact NH2-OD1 3.02Å; Q727-N731 WeakPolarHBondContact O-CB 3.37Å; Q727-N731 PolarHBondContact O-N 2.78Å; Q727-N731 PolarHBondContact O-ND2 3.01Å; Q727-N731 VanDerWaalsContact O-ND2 3.14Å; A728-N731 PolarHBondContact O-N 3.04Å; N731-S735 VanDerWaalsContact O-CB 3.25Å; N731-S735 WeakPolarHBondContact O-CB 3.37Å; N731-S735 PolarHBondContact O-N 3.3Å
732	T	75.7	Confident	71.5	Confident	94 Å²	94	79.7 Å²	79.7	58%	0.577	42%	0.416	S	S	*	.	H	α-helix	trans	-71.3	-38.1	177.8	53.9	0	0	0	0	111.7	A728 T729 S735 F736	A728-T732 WeakPolarHBondContact O-CG2 3.48Å; A728-T732 PolarHBondContact O-N 2.98Å; A728-T732 PolarHBondContact O-OG1 2.98Å; T729-T732 PolarHBondContact O-OG1 3.41Å; T732-S735 PolarHBondContact O-N 2.93Å; T732-F736 WeakPolarHBondContact O-CB 3.46Å; T732-F736 PolarHBondContact O-N 3.48Å
733	R	63.5	Low	70	Confident	146 Å²	146	83 Å²	83	55%	0.551	43%	0.433	S	S	*	.	H	α-helix	trans	-59.4	-49	170.6	-76.6	170.4	177	176.3	-2.7	111.9	T729 Y730 F736 V737	T729-R733 VanDerWaalsContact O-CB 3.32Å; T729-R733 WeakPolarHBondContact O-CB 3.2Å; T729-R733 WeakPolarHBondContact O-CG 3.32Å; T729-R733 PolarHBondContact O-N 3.38Å; Y730-R733 PolarHBondContact O-N 3.41Å; R733-F736 PolarHBondContact O-N 2.84Å; R733-V737 WeakPolarHBondContact O-CB 3.5Å; R733-V737 VanDerWaalsContact O-CG2 3.29Å; R733-V737 WeakPolarHBondContact O-CG2 3.24Å; R733-V737 PolarHBondContact O-N 2.93Å
734	V	62.5	Low	68.5	Low	77 Å²	77	84.6 Å²	84.6	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-65.6	-40	178.5	170.2	0	0	0	0	111.4	Y730 A738	Y730-V734 WeakPolarHBondContact O-CB 3.19Å; Y730-V734 VanDerWaalsContact O-CG2 3.25Å; Y730-V734 WeakPolarHBondContact O-CG2 3.49Å; Y730-V734 PolarHBondContact O-N 2.82Å; V734-A738 WeakPolarHBondContact O-CB 3.13Å; V734-A738 PolarHBondContact O-N 3.16Å
735	S	66.5	Low	66.7	Low	80 Å²	80	82.8 Å²	82.8	56%	0.559	45%	0.448	S	S	*	.	H	α-helix	trans	-67.3	-36.4	175	-170.1	0	0	0	0	112.5	N731 T732 S739	N731-S735 VanDerWaalsContact O-CB 3.25Å; N731-S735 WeakPolarHBondContact O-CB 3.37Å; N731-S735 PolarHBondContact O-N 3.3Å; T732-S735 PolarHBondContact O-N 2.93Å; S735-S739 WeakPolarHBondContact O-CB 3.32Å; S735-S739 PolarHBondContact O-N 3.17Å; S735-S739 PolarHBondContact O-OG 3.32Å
736	F	65.3	Low	64.6	Low	123 Å²	123	87 Å²	87	54%	0.539	46%	0.461	S	S	.	.	H	α-helix	trans	-68.5	-49.5	176.3	-179.1	-99.8	0	0	0	110.6	T732 R733 A738 S739 Q740	T732-F736 WeakPolarHBondContact O-CB 3.46Å; T732-F736 PolarHBondContact O-N 3.48Å; R733-F736 PolarHBondContact O-N 2.84Å; F736-A738 VanDerWaalsContact C-N 3.33Å; F736-A738 PolarHBondContact O-N 2.96Å; F736-S739 WeakPolarHBondContact CA-OG 3.29Å; F736-S739 CarbonylContact O-C 3.52Å; F736-S739 PolarHBondContact O-N 2.85Å; F736-S739 VanDerWaalsContact O-N 3.16Å; F736-S739 PolarHBondContact O-OG 3.42Å; F736-Q740 VanDerWaalsContact O-CB 3.31Å; F736-Q740 WeakPolarHBondContact O-CB 3.12Å; F736-Q740 PolarHBondContact O-N 3.19Å
737	V	62.2	Low	62.5	Low	75 Å²	75	92.5 Å²	92.5	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-59.7	-41.1	174.4	170.2	0	0	0	0	111.3	R733 Q740 L741	R733-V737 WeakPolarHBondContact O-CB 3.5Å; R733-V737 VanDerWaalsContact O-CG2 3.29Å; R733-V737 WeakPolarHBondContact O-CG2 3.24Å; R733-V737 PolarHBondContact O-N 2.93Å; V737-Q740 PolarHBondContact O-N 2.86Å; V737-L741 HydrophobicContact CG1-CD1 3.89Å; V737-L741 HydrophobicContact CG1-CG 4.36Å; V737-L741 WeakPolarHBondContact O-CB 3.26Å; V737-L741 VanDerWaalsContact O-CG 3.26Å; V737-L741 WeakPolarHBondContact O-CG 3.13Å; V737-L741 PolarHBondContact O-N 3.45Å
738	A	65.8	Low	60.1	Low	44 Å²	44	94.1 Å²	94.1	36%	0.364	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-45.9	173.7	0	0	0	0	0	112	V734 F736 Q740 L741 Q742	V734-A738 WeakPolarHBondContact O-CB 3.13Å; V734-A738 PolarHBondContact O-N 3.16Å; F736-A738 VanDerWaalsContact C-N 3.33Å; F736-A738 PolarHBondContact O-N 2.96Å; A738-Q740 VanDerWaalsContact C-N 3.29Å; A738-Q740 PolarHBondContact O-N 3.4Å; A738-L741 PolarHBondContact O-N 3.37Å; A738-Q742 WeakPolarHBondContact O-CG 3.42Å; A738-Q742 PolarHBondContact O-N 3.45Å
739	S	63.2	Low	58	Low	45 Å²	45	97.8 Å²	97.8	32%	0.315	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-32.3	175.7	67.5	0	0	0	0	113	S735 F736 L743	S735-S739 WeakPolarHBondContact O-CB 3.32Å; S735-S739 PolarHBondContact O-N 3.17Å; S735-S739 PolarHBondContact O-OG 3.32Å; F736-S739 WeakPolarHBondContact CA-OG 3.29Å; F736-S739 CarbonylContact O-C 3.52Å; F736-S739 PolarHBondContact O-N 2.85Å; F736-S739 VanDerWaalsContact O-N 3.16Å; F736-S739 PolarHBondContact O-OG 3.42Å; S739-L743 WeakPolarHBondContact O-CB 3.25Å; S739-L743 WeakPolarHBondContact O-CD1 3.25Å; S739-L743 VanDerWaalsContact O-CG 3.24Å; S739-L743 WeakPolarHBondContact O-CG 3.16Å; S739-L743 PolarHBondContact O-N 3.3Å
740	Q	59.6	Low	55.9	Low	93 Å²	93	100.7 Å²	100.7	44%	0.435	54%	0.542	S	S	.	.	H	α-helix	trans	-80.6	-27	179.7	-163.7	167.4	27.3	0	0	112.3	F736 V737 A738 N744	F736-Q740 VanDerWaalsContact O-CB 3.31Å; F736-Q740 WeakPolarHBondContact O-CB 3.12Å; F736-Q740 PolarHBondContact O-N 3.19Å; V737-Q740 PolarHBondContact O-N 2.86Å; A738-Q740 VanDerWaalsContact C-N 3.29Å; A738-Q740 PolarHBondContact O-N 3.4Å; Q740-N744 WeakPolarHBondContact O-CB 3.38Å; Q740-N744 PolarHBondContact O-N 3.19Å; Q740-N744 PolarHBondContact O-ND2 2.94Å
741	L	60.7	Low	54.5	Low	104 Å²	104	106.4 Å²	106.4	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-67.8	-48	165.9	-74.8	165.4	0	0	0	110.4	V737 A738 L743 N744 E745	V737-L741 HydrophobicContact CG1-CD1 3.89Å; V737-L741 HydrophobicContact CG1-CG 4.36Å; V737-L741 WeakPolarHBondContact O-CB 3.26Å; V737-L741 VanDerWaalsContact O-CG 3.26Å; V737-L741 WeakPolarHBondContact O-CG 3.13Å; V737-L741 PolarHBondContact O-N 3.45Å; A738-L741 PolarHBondContact O-N 3.37Å; L741-L743 PolarHBondContact O-N 2.84Å; L741-N744 CarbonylContact O-C 3.45Å; L741-N744 WeakPolarHBondContact O-CA 3.36Å; L741-N744 WeakPolarHBondContact O-CB 3.4Å; L741-N744 PolarHBondContact O-N 2.92Å; L741-E745 PolarHBondContact O-N 3.39Å
742	Q	54.1	Low	53.2	Low	127 Å²	127	107.9 Å²	107.9	59%	0.593	58%	0.583	S	S	*	*	H	α-helix	trans	-59.6	-42.6	176.3	-72.3	-179.4	-46.7	0	0	112.5	A738 N744 E745	A738-Q742 WeakPolarHBondContact O-CG 3.42Å; A738-Q742 PolarHBondContact O-N 3.45Å; Q742-N744 PolarHBondContact O-N 3.42Å; Q742-E745 PolarHBondContact O-N 3.01Å; Q742-E745 VanDerWaalsContact O-N 3.1Å
743	L	54.7	Low	51.5	Low	108 Å²	108	110.9 Å²	110.9	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-66.1	-20.8	174.4	-73.1	166.9	0	0	0	113.7	S739 L741	S739-L743 WeakPolarHBondContact O-CB 3.25Å; S739-L743 WeakPolarHBondContact O-CD1 3.25Å; S739-L743 VanDerWaalsContact O-CG 3.24Å; S739-L743 WeakPolarHBondContact O-CG 3.16Å; S739-L743 PolarHBondContact O-N 3.3Å; L741-L743 PolarHBondContact O-N 2.84Å
744	N	51.7	Low	50.6	Low	119 Å²	119	111.2 Å²	111.2	64%	0.636	60%	0.6	S	S	*	*	H	α-helix	trans	-87.1	-18.2	172.7	-73.6	-13.3	0	0	0	112.9	Q740 L741 Q742	Q740-N744 WeakPolarHBondContact O-CB 3.38Å; Q740-N744 PolarHBondContact O-N 3.19Å; Q740-N744 PolarHBondContact O-ND2 2.94Å; L741-N744 CarbonylContact O-C 3.45Å; L741-N744 WeakPolarHBondContact O-CA 3.36Å; L741-N744 WeakPolarHBondContact O-CB 3.4Å; L741-N744 PolarHBondContact O-N 2.92Å; Q742-N744 PolarHBondContact O-N 3.42Å
745	E	44.5	Very low	50.3	Low	148 Å²	148	113 Å²	113	69%	0.692	60%	0.603	S	S	*	*	H	α-helix	trans	-76.4	-24.6	176.3	-73.3	177	153.2	0	0	112.7	L741 Q742 N747	L741-E745 PolarHBondContact O-N 3.39Å; Q742-E745 PolarHBondContact O-N 3.01Å; Q742-E745 VanDerWaalsContact O-N 3.1Å; E745-N747 VanDerWaalsContact C-N 3.27Å; E745-N747 PolarHBondContact O-N 3.14Å
746	E	40.4	Very low	49.6	Very low	153 Å²	153	115.1 Å²	115.1	72%	0.715	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-1.4	-179.2	-65.6	-167.4	146.7	0	0	115.1	P748	E746-P748 VanDerWaalsContact C-CD 3.44Å; E746-P748 WeakPolarHBondContact O-CD 3.45Å
747	N	37.2	Very low	48.8	Very low	124 Å²	124	114.2 Å²	114.2	66%	0.663	60%	0.602	S	S	*	*			trans	-122.3	68.6	-178.9	-73.7	-80.9	0	0	0	114.6	E745 T749	E745-N747 VanDerWaalsContact C-N 3.27Å; E745-N747 PolarHBondContact O-N 3.14Å; N747-T749 PolarHBondContact O-N 3.31Å
748	P	31.3	Very low	48.1	Very low	110 Å²	110	115.9 Å²	115.9	71%	0.714	61%	0.609	S	S	*	*			trans	-87.5	76.5	-178.7	35.8	-36.7	0	0	0	113.6	E746	E746-P748 VanDerWaalsContact C-CD 3.44Å; E746-P748 WeakPolarHBondContact O-CD 3.45Å
749	T	35.2	Very low	47.4	Very low	125 Å²	125	119.5 Å²	119.5	77%	0.767	62%	0.616	S	S	*	*			trans	-100.4	77.5	171.5	42.3	0	0	0	0	113.4	N747 N751	N747-T749 PolarHBondContact O-N 3.31Å; T749-N751 PolarHBondContact O-N 2.81Å
750	T	34.3	Very low	46.6	Very low	127 Å²	127	119.6 Å²	119.6	78%	0.779	62%	0.617	S	S	*	*	S	Bend	trans	31.2	88.1	139.5	58.5	0	0	0	0	117.3
751	N	41.8	Very low	45.8	Very low	152 Å²	152	121 Å²	121	81%	0.813	62%	0.623	S	S	*	*	S	Bend	trans	-174.6	-24.8	157.2	-98.3	-33.9	0	0	0	112.9	T749 E753	T749-N751 PolarHBondContact O-N 2.81Å; N751-E753 PolarHBondContact O-N 2.83Å
752	D	46.7	Very low	45	Very low	92 Å²	92	120.5 Å²	120.5	49%	0.492	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	-11.1	-162	-151.8	50.8	0	0	0	115.5	K756	D752-K756 VanDerWaalsContact OD2-CE 3.27Å; D752-K756 WeakPolarHBondContact OD2-CE 3.45Å; D752-K756 IonicContact OD2-NZ 3.65Å; D752-K756 PolarHBondContact OD2-NZ 2.95Å
753	E	40.4	Very low	44.3	Very low	157 Å²	157	121 Å²	121	73%	0.734	63%	0.627	S	S	*	*	H	α-helix	trans	-71.7	-32.5	-174.9	-60.8	-171.5	135.6	0	0	112.9	N751 Q755 K756 L757	N751-E753 PolarHBondContact O-N 2.83Å; E753-Q755 VanDerWaalsContact C-N 3.33Å; E753-Q755 PolarHBondContact O-N 2.81Å; E753-K756 PolarHBondContact O-N 2.73Å; E753-K756 VanDerWaalsContact O-N 3.11Å; E753-L757 PolarHBondContact O-N 3.1Å
754	M	45.4	Very low	43.7	Very low	153 Å²	153	121.3 Å²	121.3	75%	0.754	63%	0.628	S	S	*	*	H	α-helix	trans	-64.2	-38.2	179.4	-147.2	177	-63.1	0	0	111.5	K756 L757 D758	M754-K756 VanDerWaalsContact C-N 3.3Å; M754-K756 PolarHBondContact O-N 3.3Å; M754-L757 PolarHBondContact O-N 2.94Å; M754-D758 PolarHBondContact O-N 3.14Å
755	Q	55.3	Low	43.1	Very low	113 Å²	113	121.9 Å²	121.9	53%	0.528	63%	0.631	S	S	.	*	H	α-helix	trans	-74.5	-16.8	176	-65.1	-165.6	17.3	0	0	114	E753 K759	E753-Q755 VanDerWaalsContact C-N 3.33Å; E753-Q755 PolarHBondContact O-N 2.81Å; Q755-K759 WeakPolarHBondContact O-CD 3.18Å; Q755-K759 WeakPolarHBondContact O-CG 3.49Å; Q755-K759 PolarHBondContact O-N 2.97Å
756	K	51.8	Low	43	Very low	125 Å²	125	120.3 Å²	120.3	54%	0.543	63%	0.632	S	S	.	*	H	α-helix	trans	-80.4	-30.1	173.5	-71.4	167.1	-178.2	157.9	0	111.3	D752 E753 M754 S760	D752-K756 VanDerWaalsContact OD2-CE 3.27Å; D752-K756 WeakPolarHBondContact OD2-CE 3.45Å; D752-K756 IonicContact OD2-NZ 3.65Å; D752-K756 PolarHBondContact OD2-NZ 2.95Å; E753-K756 PolarHBondContact O-N 2.73Å; E753-K756 VanDerWaalsContact O-N 3.11Å; M754-K756 VanDerWaalsContact C-N 3.3Å; M754-K756 PolarHBondContact O-N 3.3Å; K756-S760 WeakPolarHBondContact O-CB 3.43Å; K756-S760 PolarHBondContact O-N 3.49Å; K756-S760 VanDerWaalsContact O-N 3.14Å; K756-S760 PolarHBondContact O-OG 3.49Å
757	L	48.9	Very low	42.8	Very low	105 Å²	105	118.2 Å²	118.2	55%	0.55	63%	0.629	S	S	.	*	H	α-helix	trans	-67.6	-46.7	171.6	-80.8	162.2	0	0	0	112.3	E753 M754 K759 S760 Q761	E753-L757 PolarHBondContact O-N 3.1Å; M754-L757 PolarHBondContact O-N 2.94Å; L757-K759 PolarHBondContact O-N 2.86Å; L757-S760 PolarHBondContact O-N 2.8Å; L757-S760 PolarHBondContact O-OG 2.68Å; L757-S760 VanDerWaalsContact O-OG 3.05Å; L757-Q761 WeakPolarHBondContact O-CG 3.49Å; L757-Q761 PolarHBondContact O-N 3.02Å
758	D	47.5	Very low	42.7	Very low	109 Å²	109	117.5 Å²	117.5	58%	0.583	63%	0.63	S	S	*	*	H	α-helix	trans	-59.1	-46.7	176.1	-84.8	-16.2	0	0	0	112.4	M754 S760 Q761 T762	M754-D758 PolarHBondContact O-N 3.14Å; D758-S760 PolarHBondContact O-N 3.11Å; D758-Q761 PolarHBondContact O-N 3.13Å; D758-T762 PolarHBondContact O-N 3.35Å; D758-T762 VanDerWaalsContact O-N 3.07Å
759	K	50.4	Low	43	Very low	120 Å²	120	121.6 Å²	121.6	52%	0.522	64%	0.636	S	S	.	*	H	α-helix	trans	-63.7	-44.4	-178.6	-72.1	168.7	-172.7	160	0	111.9	Q755 L757 Q761 T762 E763	Q755-K759 WeakPolarHBondContact O-CD 3.18Å; Q755-K759 WeakPolarHBondContact O-CG 3.49Å; Q755-K759 PolarHBondContact O-N 2.97Å; L757-K759 PolarHBondContact O-N 2.86Å; K759-Q761 PolarHBondContact O-N 3.33Å; K759-T762 PolarHBondContact O-N 3.29Å; K759-T762 VanDerWaalsContact O-N 3.14Å; K759-T762 PolarHBondContact O-OG1 3.19Å; K759-E763 PolarHBondContact O-N 3.47Å
760	S	47.5	Very low	42.7	Very low	48 Å²	48	121.3 Å²	121.3	34%	0.336	64%	0.639	S	S	.	*	H	α-helix	trans	-65.1	-35.4	176.3	50.8	0	0	0	0	113	K756 L757 D758 T762 E763 I764	K756-S760 WeakPolarHBondContact O-CB 3.43Å; K756-S760 PolarHBondContact O-N 3.49Å; K756-S760 VanDerWaalsContact O-N 3.14Å; K756-S760 PolarHBondContact O-OG 3.49Å; L757-S760 PolarHBondContact O-N 2.8Å; L757-S760 PolarHBondContact O-OG 2.68Å; L757-S760 VanDerWaalsContact O-OG 3.05Å; D758-S760 PolarHBondContact O-N 3.11Å; S760-T762 VanDerWaalsContact C-N 3.32Å; S760-T762 PolarHBondContact O-N 2.92Å; S760-E763 PolarHBondContact O-N 2.84Å; S760-I764 WeakPolarHBondContact O-CD1 3.4Å; S760-I764 VanDerWaalsContact O-CG1 3.29Å; S760-I764 WeakPolarHBondContact O-CG1 3.5Å; S760-I764 PolarHBondContact O-N 3.19Å
761	Q	42	Very low	42.6	Very low	121 Å²	121	120.6 Å²	120.6	57%	0.565	64%	0.639	S	S	*	*	H	α-helix	trans	-65.2	-31.8	172	-71.6	-174.4	33.8	0	0	113.3	L757 D758 K759 N765	L757-Q761 WeakPolarHBondContact O-CG 3.49Å; L757-Q761 PolarHBondContact O-N 3.02Å; D758-Q761 PolarHBondContact O-N 3.13Å; K759-Q761 PolarHBondContact O-N 3.33Å; Q761-N765 PolarHBondContact O-ND2 2.88Å; Q761-N765 VanDerWaalsContact O-ND2 3.14Å
762	T	44.6	Very low	42.2	Very low	94 Å²	94	122 Å²	122	58%	0.577	65%	0.646	S	S	*	*	H	α-helix	trans	-72	-32.6	174.4	57	0	0	0	0	113.8	D758 K759 S760	D758-T762 PolarHBondContact O-N 3.35Å; D758-T762 VanDerWaalsContact O-N 3.07Å; K759-T762 PolarHBondContact O-N 3.29Å; K759-T762 VanDerWaalsContact O-N 3.14Å; K759-T762 PolarHBondContact O-OG1 3.19Å; S760-T762 VanDerWaalsContact C-N 3.32Å; S760-T762 PolarHBondContact O-N 2.92Å
763	E	39	Very low	41.5	Very low	139 Å²	139	122.4 Å²	122.4	65%	0.65	66%	0.662	S	S	*	*	H	α-helix	trans	-77.9	-32.5	-178.2	-69.6	177.3	168.9	0	0	113.1	K759 S760 N765 V766	K759-E763 PolarHBondContact O-N 3.47Å; S760-E763 PolarHBondContact O-N 2.84Å; E763-N765 VanDerWaalsContact C-N 3.28Å; E763-N765 PolarHBondContact O-N 3.42Å; E763-V766 PolarHBondContact O-N 3.18Å
764	I	42.1	Very low	40.9	Very low	113 Å²	113	119.1 Å²	119.1	58%	0.579	67%	0.671	S	S	*	*	H	α-helix	trans	-64.2	-31.5	179.8	-68.9	164.7	0	0	0	112.1	S760 V766 T767	S760-I764 WeakPolarHBondContact O-CD1 3.4Å; S760-I764 VanDerWaalsContact O-CG1 3.29Å; S760-I764 WeakPolarHBondContact O-CG1 3.5Å; S760-I764 PolarHBondContact O-N 3.19Å; I764-V766 PolarHBondContact O-N 3.31Å; I764-V766 VanDerWaalsContact C-N 3.32Å; I764-T767 PolarHBondContact O-OG1 3.06Å
765	N	39.4	Very low	40.3	Very low	132 Å²	132	115.3 Å²	115.3	71%	0.706	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-6.8	-177.4	-79	-59.8	0	0	0	115	Q761 E763	Q761-N765 PolarHBondContact O-ND2 2.88Å; Q761-N765 VanDerWaalsContact O-ND2 3.14Å; E763-N765 VanDerWaalsContact C-N 3.28Å; E763-N765 PolarHBondContact O-N 3.42Å
766	V	41	Very low	39.3	Very low	115 Å²	115	121.4 Å²	121.4	70%	0.697	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-23.6	-175.9	-179.4	0	0	0	0	112.7	E763 I764 T768	E763-V766 PolarHBondContact O-N 3.18Å; I764-V766 PolarHBondContact O-N 3.31Å; I764-V766 VanDerWaalsContact C-N 3.32Å; V766-T768 PolarHBondContact O-N 3.26Å
767	T	37.9	Very low	38.3	Very low	108 Å²	108	121.3 Å²	121.3	66%	0.663	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-86.6	-7.3	-165.9	47.9	0	0	0	0	115.5	I764	I764-T767 PolarHBondContact O-OG1 3.06Å
768	T	34.9	Very low	37.3	Very low	110 Å²	110	123.1 Å²	123.1	68%	0.675	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-91	6.8	-171.7	53.1	0	0	0	0	115.8	V766	V766-T768 PolarHBondContact O-N 3.26Å
769	K	36	Very low	36.5	Very low	196 Å²	196	123.6 Å²	123.6	85%	0.852	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-124.6	19.8	-174.4	-73.6	-173.6	175.8	176.4	0	116.3
770	S	30.1	Very low	35.5	Very low	119 Å²	119	124.4 Å²	124.4	83%	0.832	72%	0.72	S	S	*	*			trans	-113.1	74.9	-179.5	-165.1	0	0	0	0	113.1
771	S	31	Very low	34.5	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	74%	0.744	S	S	*	*			trans	-159.1	35.3	179.3	55.4	0	0	0	0	116.2
772	L	34.1	Very low	34.1	Very low	181 Å²	181	133.8 Å²	133.8	95%	0.948	76%	0.756	S	S	*	*			trans	-141	132.7	165.5	-101.8	143.4	0	0	0	110.3
773	A	33.2	Very low	33.6	Very low	101 Å²	101	134.8 Å²	134.8	84%	0.835	77%	0.767	S	S	*	*			trans	-114.1	150.5	-162.6	0	0	0	0	0	113.9
774	G	27.8	Very low	33.1	Very low	89 Å²	89	133.5 Å²	133.5	92%	0.918	78%	0.78	S	S	*	*			trans	74.1	63.5	148.8	0	0	0	0	0	117.9
775	G	31.9	Very low	32.5	Very low	72 Å²	72	131.6 Å²	131.6	74%	0.742	79%	0.788	S	S	*	*			trans	-149.9	138.4	167.8	0	0	0	0	0	112.2
776	R	33.4	Very low	31.9	Very low	241 Å²	241	133.5 Å²	133.5	91%	0.909	80%	0.797	S	S	*	*			trans	-75.5	130.8	174.3	-66.4	177.5	179.5	169.9	-1	109.5	M778	R776-M778 PolarHBondContact O-N 3.14Å; R776-M778 VanDerWaalsContact O-N 3.15Å
777	P	32.1	Very low	31.3	Very low	123 Å²	123	139.4 Å²	139.4	80%	0.799	81%	0.807	S	S	*	*			trans	-73	107.4	172.9	28.9	-32.5	0	0	0	110
778	M	27.7	Very low	30.7	Very low	144 Å²	144	143.2 Å²	143.2	71%	0.709	82%	0.817	S	S	*	*			trans	-86.9	106.7	167.6	-172.1	176.9	83.7	0	0	108.4	R776 Q780	R776-M778 PolarHBondContact O-N 3.14Å; R776-M778 VanDerWaalsContact O-N 3.15Å; M778-Q780 HydrophobicContact CE-CB 4.18Å; M778-Q780 HydrophobicContact CE-CG 4.39Å; M778-Q780 VanDerWaalsContact CE-OE1 3.27Å; M778-Q780 PolarHBondContact O-N 2.78Å
779	V	31.4	Very low	30.5	Very low	118 Å²	118	146 Å²	146	72%	0.715	83%	0.826	S	S	*	*			trans	-77.7	93.8	177.4	-176.9	0	0	0	0	108.9	F781	V779-F781 HydrophobicContact CG1-CZ 4.5Å; V779-F781 HydrophobicContact CG1-CE2 3.7Å; V779-F781 HydrophobicContact CG1-CD2 3.96Å
780	Q	27.7	Very low	30	Very low	137 Å²	137	139.9 Å²	139.9	64%	0.64	82%	0.819	S	S	*	*			trans	-96.1	96.5	178.3	-165.2	169.7	12.5	0	0	109.6	M778 Q782	M778-Q780 HydrophobicContact CE-CB 4.18Å; M778-Q780 HydrophobicContact CE-CG 4.39Å; M778-Q780 VanDerWaalsContact CE-OE1 3.27Å; M778-Q780 PolarHBondContact O-N 2.78Å; Q780-Q782 PolarHBondContact O-N 2.84Å
781	F	27.5	Very low	30.1	Very low	189 Å²	189	141.6 Å²	141.6	83%	0.829	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-63.9	116.5	172.3	-81.1	-93.7	0	0	0	109.7	V779	V779-F781 HydrophobicContact CG1-CZ 4.5Å; V779-F781 HydrophobicContact CG1-CE2 3.7Å; V779-F781 HydrophobicContact CG1-CD2 3.96Å
782	Q	33.6	Very low	29.9	Very low	177 Å²	177	142.8 Å²	142.8	83%	0.827	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.8	125.4	166.5	-68.6	-171.2	-4.2	0	0	109.1	Q780	Q780-Q782 PolarHBondContact O-N 2.84Å
783	S	33.6	Very low	29.7	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.1	161.6	179.2	44	0	0	0	0	112	G785	S783-G785 PolarHBondContact O-N 2.87Å
784	A	28.4	Very low	29.5	Very low	112 Å²	112	142.8 Å²	142.8	93%	0.926	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63	130.5	175	0	0	0	0	0	111
785	G	29.1	Very low	29.6	Very low	72 Å²	72	146.7 Å²	146.7	74%	0.742	79%	0.788	S	S	*	*			trans	-162.6	108.1	178.2	0	0	0	0	0	111.7	S783 R787	S783-G785 PolarHBondContact O-N 2.87Å; G785-R787 PolarHBondContact O-N 3.05Å
786	I	26.6	Very low	29.7	Very low	173 Å²	173	151.1 Å²	151.1	89%	0.887	80%	0.795	S	S	*	*			trans	-75.4	113.2	177.3	-62.9	164.4	0	0	0	108.8
787	R	28.5	Very low	29.5	Very low	239 Å²	239	145 Å²	145	90%	0.902	78%	0.781	S	S	*	*			trans	-137.8	113.8	159	-75	-162.8	172.8	-179.4	-1.1	112	G785	G785-R787 PolarHBondContact O-N 3.05Å
788	Q	26.1	Very low	29.4	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.874	78%	0.775	S	S	*	*			trans	-86.6	116.8	169.4	176.6	-177	7.5	0	0	108.7
789	L	30.8	Very low	29.6	Very low	168 Å²	168	148.5 Å²	148.5	88%	0.88	78%	0.782	S	S	*	*			trans	-156.8	119.1	167.9	-105.7	168.5	0	0	0	107.9
790	G	25.5	Very low	29.6	Very low	68 Å²	68	149.5 Å²	149.5	70%	0.701	78%	0.779	S	S	*	*			trans	-108.6	149.6	174.6	0	0	0	0	0	111.4
791	L	31.3	Very low	29.8	Very low	155 Å²	155	151.7 Å²	151.7	81%	0.812	79%	0.787	S	S	*	*			trans	-164.8	106.4	164.7	-92.1	170.2	0	0	0	105.2
792	I	27.3	Very low	29.9	Very low	136 Å²	136	146.5 Å²	146.5	70%	0.697	78%	0.779	S	S	*	*				87	140.6	92.3	-80.5	-172.4	0	0	0	114.1
793	N	30.3	Very low	29.9	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	78%	0.776	S	S	*	*			trans	71.6	123.1	-174.4	-54.1	-32.2	0	0	0	114.3
794	E	28	Very low	29.9	Very low	144 Å²	144	142.9 Å²	142.9	67%	0.673	77%	0.768	S	S	*	*			cis	78.5	128.3	39.5	-66.7	-155	151.8	0	0	116.1
795	K	31.4	Very low	30.3	Very low	171 Å²	171	144.9 Å²	144.9	74%	0.743	76%	0.763	S	S	*	*			trans	66.1	136	177	-57.4	118.1	-177.9	164.4	0	113.3
796	D	33.5	Very low	30.7	Very low	166 Å²	166	147.6 Å²	147.6	89%	0.888	76%	0.76	S	S	*	*			cis	-129.2	-172.6	37	-97.1	-41.8	0	0	0	116
797	D	28.4	Very low	31.4	Very low	113 Å²	113	149 Å²	149	60%	0.604	76%	0.762	S	S	*	*			trans	-139.4	158.7	-148.8	-172.9	15.5	0	0	0	113.7
798	K	30.8	Very low	31.8	Very low	155 Å²	155	145.6 Å²	145.6	67%	0.674	76%	0.757	S	S	*	*			trans	57.9	117.5	170.5	-61.8	129	177.7	148	0	120.2
799	Q	32.5	Very low	32.4	Very low	184 Å²	184	143.9 Å²	143.9	86%	0.86	75%	0.752	S	S	*	*				155.5	150.4	117.4	-85.1	170.1	46.9	0	0	111.1
800	Q	31.1	Very low	32.7	Very low	140 Å²	140	142.7 Å²	142.7	65%	0.654	75%	0.747	S	S	*	*			cis	175.4	125.3	-36.5	-115.9	-167	43	0	0	106.7
801	K	30.9	Very low	33.1	Very low	183 Å²	183	146.8 Å²	146.8	80%	0.796	75%	0.751	S	S	*	*			trans	63.8	167.9	150.3	-61.9	172.8	-178.3	169.6	0	119
802	A	29.9	Very low	33.4	Very low	80 Å²	80	146.6 Å²	146.6	66%	0.661	75%	0.75	S	S	*	*			cis	-172.4	147.1	-38.5	0	0	0	0	0	110	T804	A802-T804 HydrophobicContact CB-CG2 4.42Å
803	S	34.4	Very low	33.8	Very low	112 Å²	112	146 Å²	146	78%	0.783	75%	0.753	S	S	*	*			trans	-169.3	103.9	160.3	53	0	0	0	0	108.3
804	T	32	Very low	34.2	Very low	104 Å²	104	146.5 Å²	146.5	64%	0.638	76%	0.756	S	S	*	*			cis	76.4	103	41.2	76.7	0	0	0	0	115.6	A802	A802-T804 HydrophobicContact CB-CG2 4.42Å
805	N	38.6	Very low	34.4	Very low	154 Å²	154	146.8 Å²	146.8	82%	0.824	76%	0.762	S	S	*	*			trans	174.8	107.9	143.2	-85.8	-3.3	0	0	0	104.2
806	I	37.4	Very low	34.7	Very low	129 Å²	129	147.9 Å²	147.9	66%	0.662	77%	0.77	S	S	*	*			cis	71.7	102.2	43	-49	172.7	0	0	0	112.5
807	E	39.9	Very low	34.7	Very low	202 Å²	202	143.2 Å²	143.2	94%	0.944	76%	0.761	S	S	*	*			trans	-135.3	156	130.7	-99.7	172.1	-167.6	0	0	106.7
808	E	37.5	Very low	35	Very low	168 Å²	168	146 Å²	146	79%	0.785	77%	0.77	S	S	*	*			trans	-142.7	-168.3	-153.1	-159.4	167.7	-151.9	0	0	110.7
809	I	39.6	Very low	35	Very low	151 Å²	151	146.1 Å²	146.1	77%	0.774	77%	0.773	S	S	*	*			trans	79	126.7	173.3	-51.9	163.2	0	0	0	113.8
810	D	37.2	Very low	34.9	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	77%	0.766	S	S	*	*			cis	-150.9	163.7	-10.6	-126	-23.6	0	0	0	110.5
811	I	33.5	Very low	34.9	Very low	153 Å²	153	145.6 Å²	145.6	79%	0.785	77%	0.771	S	S	*	*			trans	-134.3	130.7	170.9	-61.1	174.2	0	0	0	109.2
812	N	36.4	Very low	34.9	Very low	151 Å²	151	145 Å²	145	81%	0.807	77%	0.771	S	S	*	*			trans	-173.4	167.9	156.4	-92.7	-41.9	0	0	0	110.5
813	V	36.2	Very low	35.1	Very low	124 Å²	124	146.2 Å²	146.2	75%	0.752	78%	0.781	S	S	*	*			trans	72.3	122.6	169	-174.1	0	0	0	0	116
814	D	38.2	Very low	35.1	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	78%	0.78	S	S	*	*			cis	-157.2	174.5	-20.6	-102.5	-23	0	0	0	108.6
815	D	32.8	Very low	35.1	Very low	151 Å²	151	147.3 Å²	147.3	81%	0.807	79%	0.791	S	S	*	*			trans	-91.2	-178.4	166.3	-153.7	-22.7	0	0	0	109.9
816	E	37.2	Very low	34.8	Very low	193 Å²	193	146.4 Å²	146.4	90%	0.902	79%	0.787	S	S	*	*			trans	72.9	141.4	-172.3	-47.3	174.8	-172.5	0	0	114
817	G	34.8	Very low	34.6	Very low	68 Å²	68	144.9 Å²	144.9	70%	0.701	79%	0.787	S	S	*	*			cis	173.6	162.9	-6.7	0	0	0	0	0	111.6
818	E	33.2	Very low	34.2	Very low	171 Å²	171	143 Å²	143	80%	0.799	78%	0.781	S	S	*	*			trans	66.2	125.7	160.2	-64.4	168.4	-175.2	0	0	117.9
819	E	32.1	Very low	34	Very low	159 Å²	159	143.4 Å²	143.4	74%	0.743	78%	0.782	S	S	*	*				70.6	145.3	102.2	-62.2	179.2	-175.9	0	0	115
820	E	30.2	Very low	33.4	Very low	150 Å²	150	144.8 Å²	144.8	70%	0.701	79%	0.786	S	S	*	*			cis	-166.5	158.1	-15	-114.1	-175.6	172	0	0	108.4
821	E	31	Very low	33.3	Very low	163 Å²	163	146.3 Å²	146.3	76%	0.762	79%	0.788	S	S	*	*			trans	56.3	165.4	156.2	-63.9	-170.6	163.9	0	0	120.1
822	E	30.6	Very low	32.9	Very low	169 Å²	169	147.5 Å²	147.5	79%	0.79	79%	0.791	S	S	*	*			cis	-155.9	170.2	-25	-119.3	-157.7	167.2	0	0	110.2
823	A	35	Very low	32.8	Very low	106 Å²	106	147.3 Å²	147.3	88%	0.876	79%	0.788	S	S	*	*			trans	61.3	147.3	167.5	0	0	0	0	0	118.5
824	G	33	Very low	32.5	Very low	74 Å²	74	149 Å²	149	76%	0.763	79%	0.785	S	S	*	*			cis	174.1	-156.2	7.5	0	0	0	0	0	107.5
825	D	32.1	Very low	32.1	Very low	165 Å²	165	149 Å²	149	88%	0.882	78%	0.78	S	S	*	*			cis	179.6	127.6	-21.2	-171.4	67.2	0	0	0	105.2
826	D	32.6	Very low	32.1	Very low	135 Å²	135	148.3 Å²	148.3	72%	0.722	78%	0.782	S	S	*	*			cis	-158.4	171.7	-12.5	174.5	40.4	0	0	0	108.5
827	S	34	Very low	32	Very low	97 Å²	97	144.7 Å²	144.7	68%	0.678	77%	0.773	S	S	*	*			trans	72.4	168.3	160.8	82	0	0	0	0	119.1
828	M	31	Very low	31.9	Very low	164 Å²	164	147 Å²	147	81%	0.808	77%	0.769	S	S	*	*			cis	-175.7	158.4	-38.3	178.8	159.8	59.3	0	0	108.7
829	E	33.2	Very low	31.9	Very low	175 Å²	175	145.9 Å²	145.9	82%	0.818	76%	0.764	S	S	*	*			trans	147.7	151.7	141.9	-80.1	-170.9	174.3	0	0	115
830	E	27.9	Very low	32.1	Very low	180 Å²	180	144.8 Å²	144.8	84%	0.841	76%	0.763	S	S	*	*			trans	-106.2	158.1	-173.7	-52	163.3	119.1	0	0	111.5
831	Q	33.8	Very low	32.2	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	76%	0.761	S	S	*	*			trans	-164.3	136.4	146.6	-115.7	142	101.9	0	0	115.2
832	E	26.5	Very low	32.5	Very low	178 Å²	178	141.8 Å²	141.8	83%	0.832	76%	0.762	S	S	*	*			trans	-96.8	133.6	171.4	-53.4	178.2	120.7	0	0	111.9
833	I	34.3	Very low	32.6	Very low	147 Å²	147	139.1 Å²	139.1	75%	0.754	75%	0.753	S	S	*	*			trans	-148.7	117.1	149.6	-71.5	100.6	0	0	0	105
834	K	28.7	Very low	32.6	Very low	158 Å²	158	145.1 Å²	145.1	69%	0.687	76%	0.755	S	S	*	*			cis	84.4	135.7	49.9	-83.1	-171.6	156.3	-151.8	0	116.3
835	E	29.3	Very low	32.4	Very low	148 Å²	148	146.4 Å²	146.4	69%	0.692	75%	0.748	S	S	*	*			trans	62.8	105.9	157.2	-65.9	156.5	-144.7	0	0	115.8
836	T	34.4	Very low	32.5	Very low	137 Å²	137	145.8 Å²	145.8	84%	0.84	74%	0.743	S	S	*	*				173.1	160.3	94.7	32.5	0	0	0	0	110.3
837	V	33.4	Very low	32.4	Very low	118 Å²	118	143.9 Å²	143.9	72%	0.715	74%	0.74	S	S	*	*			cis	-167	149.1	-31.2	96	0	0	0	0	109.8
838	N	33.8	Very low	32.1	Very low	115 Å²	115	143.6 Å²	143.6	62%	0.615	74%	0.738	S	S	*	*			trans	62.3	156.7	162.7	-67.8	23.5	0	0	0	120
839	E	32.7	Very low	32	Very low	148 Å²	148	144.6 Å²	144.6	69%	0.692	74%	0.738	S	S	*	*			cis	-162.5	174.1	-21.2	-113.1	163.5	172.7	0	0	110.5
840	D	35.6	Very low	31.9	Very low	136 Å²	136	147 Å²	147	73%	0.727	74%	0.74	S	S	*	*			trans	68.8	146	158.3	-71.6	-21.8	0	0	0	122.2
841	N	34	Very low	31.9	Very low	123 Å²	123	149.3 Å²	149.3	66%	0.658	74%	0.741	S	S	*	*			cis	-166.2	-179.6	-38.4	-132.3	-51.6	0	0	0	111.1
842	T	37	Very low	31.6	Very low	127 Å²	127	152.8 Å²	152.8	78%	0.779	75%	0.746	S	S	*	*			trans	65.4	99.4	178.5	66.8	0	0	0	0	114
843	D	31.8	Very low	31.9	Very low	114 Å²	114	153.8 Å²	153.8	61%	0.61	75%	0.748	S	S	*	*			cis	70	110.1	39.6	-141.3	-5.5	0	0	0	114	T845	D843-T845 PolarHBondContact OD1-N 3.4Å
844	Y	35.9	Very low	31.8	Very low	232 Å²	232	151.2 Å²	151.2	91%	0.91	75%	0.748	S	S	*	*				-152.5	115.2	114.3	-111.3	-72	0	0	0	110.7
845	T	29	Very low	31.9	Very low	101 Å²	101	151.6 Å²	151.6	62%	0.62	75%	0.752	S	S	*	*			trans	-90.7	163.6	173.1	54.2	0	0	0	0	112.1	D843	D843-T845 PolarHBondContact OD1-N 3.4Å
846	I	34.1	Very low	32.1	Very low	152 Å²	152	149.1 Å²	149.1	78%	0.779	75%	0.749	S	S	*	*				179.7	99.3	128	-90	155.4	0	0	0	112.2
847	S	31	Very low	32	Very low	95 Å²	95	148.8 Å²	148.8	66%	0.664	74%	0.742	S	S	*	*				43.3	95.5	125.7	-55.1	0	0	0	0	122.8
848	S	27.1	Very low	31.8	Very low	91 Å²	91	149.9 Å²	149.9	64%	0.636	74%	0.744	S	S	*	*				88.2	152.7	108.1	85.4	0	0	0	0	122.4
849	K	28.3	Very low	31.9	Very low	184 Å²	184	151.4 Å²	151.4	80%	0.8	75%	0.75	S	S	*	*			trans	62.4	100.5	151.6	-65.7	162.2	-176.4	164.3	0	118.4
850	R	30.3	Very low	32	Very low	226 Å²	226	150.9 Å²	150.9	85%	0.853	75%	0.752	S	S	*	*				178.7	137.9	98.8	-97.4	160.8	176.7	-175.9	0.4	116.4
851	R	29.6	Very low	31.9	Very low	229 Å²	229	150.9 Å²	150.9	86%	0.864	75%	0.751	S	S	*	*			trans	59.4	118.6	140.9	-72.1	-179.9	165.9	178	-6.1	121.2
852	R	27	Very low	31.8	Very low	249 Å²	249	152.2 Å²	152.2	94%	0.94	75%	0.753	S	S	*	*			trans	-36.5	128.5	146.9	-60.7	172.4	175	172.6	-4.4	113.8
853	K	32.2	Very low	31.7	Very low	200 Å²	200	153.1 Å²	153.1	87%	0.87	75%	0.753	S	S	*	*			trans	-149.2	114.4	137.8	-89.8	-171.2	174.5	-172.4	0	104.5
854	A	32.7	Very low	31.7	Very low	92 Å²	92	155.2 Å²	155.2	76%	0.76	76%	0.759	S	S	*	*				85.2	122	89.6	0	0	0	0	0	111.4
855	H	30.6	Very low	32	Very low	167 Å²	167	149.6 Å²	149.6	77%	0.773	75%	0.751	S	S	*	*			trans	-55.2	156.5	169.1	-118.8	-34.7	0	0	0	110.5
856	P	32.6	Very low	32.3	Very low	95 Å²	95	149.3 Å²	149.3	62%	0.617	75%	0.749	S	S	*	*				-135.8	-153.8	76.5	36.8	-19.3	0	0	0	113.1
857	D	33.6	Very low	32.2	Very low	130 Å²	130	146 Å²	146	70%	0.695	74%	0.738	S	S	*	*			trans	74.2	84.5	163.8	-49.5	-21.8	0	0	0	116	I859	D857-I859 PolarHBondContact O-N 3.29Å
858	D	29.6	Very low	32.8	Very low	142 Å²	142	149 Å²	149	76%	0.759	75%	0.745	S	S	*	*			trans	-49.2	115.3	147.6	-54	-80	0	0	0	108.9	D860	D858-D860 VanDerWaalsContact C-N 3.31Å; D858-D860 PolarHBondContact O-N 2.85Å
859	I	34.9	Very low	33.8	Very low	147 Å²	147	149.5 Å²	149.5	75%	0.754	76%	0.755	S	S	*	*			trans	-86.6	87	162.3	-59.5	176.2	0	0	0	105.6	D857 I861	D857-I859 PolarHBondContact O-N 3.29Å; I859-I861 VanDerWaalsContact C-N 3.32Å; I859-I861 HydrophobicContact CG2-CG1 4.18Å; I859-I861 PolarHBondContact O-N 2.84Å
860	D	34.6	Very low	34.5	Very low	136 Å²	136	144.9 Å²	144.9	73%	0.727	74%	0.742	S	S	*	*			trans	-55.1	103.5	157.3	-80.4	-44.9	0	0	0	107.1	D858 E862	D858-D860 VanDerWaalsContact C-N 3.31Å; D858-D860 PolarHBondContact O-N 2.85Å; D860-E862 HydrophobicContact CB-CG 4.47Å; D860-E862 PolarHBondContact O-N 3.18Å
861	I	33.2	Very low	35.2	Very low	137 Å²	137	137.6 Å²	137.6	70%	0.703	72%	0.717	S	S	*	*			trans	-73.7	75.6	158.9	-54.8	-179.7	0	0	0	105.3	I859 N863	I859-I861 VanDerWaalsContact C-N 3.32Å; I859-I861 HydrophobicContact CG2-CG1 4.18Å; I859-I861 PolarHBondContact O-N 2.84Å; I861-N863 VanDerWaalsContact C-N 3.3Å; I861-N863 PolarHBondContact O-N 2.85Å
862	E	32.5	Very low	35.9	Very low	150 Å²	150	128.1 Å²	128.1	70%	0.701	69%	0.69	S	S	*	*			trans	-52.1	105.6	154.6	-73.5	-166.5	143.9	0	0	105.9	D860 Q864	D860-E862 HydrophobicContact CB-CG 4.47Å; D860-E862 PolarHBondContact O-N 3.18Å; E862-Q864 PolarHBondContact O-N 3.08Å
863	N	35.3	Very low	37.1	Very low	146 Å²	146	120.7 Å²	120.7	78%	0.781	68%	0.676	S	S	*	*			trans	-63.1	84.9	165	-80.6	-31.6	0	0	0	106.5	I861 P865	I861-N863 VanDerWaalsContact C-N 3.3Å; I861-N863 PolarHBondContact O-N 2.85Å; N863-P865 VanDerWaalsContact O-CD 3.3Å; N863-P865 WeakPolarHBondContact O-CD 3.37Å
864	Q	31.7	Very low	37.9	Very low	159 Å²	159	114.4 Å²	114.4	74%	0.743	65%	0.652	S	S	*	*			trans	-52.2	113.5	179.7	-72.4	-169.9	-9.8	0	0	107.1	E862 V866	E862-Q864 PolarHBondContact O-N 3.08Å; Q864-V866 PolarHBondContact O-N 3.08Å
865	P	43	Very low	38.7	Very low	113 Å²	113	118.3 Å²	118.3	73%	0.734	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-62.1	118.9	-173.4	23.2	-32.3	0	0	0	107.4	N863 P867	N863-P865 VanDerWaalsContact O-CD 3.3Å; N863-P865 WeakPolarHBondContact O-CD 3.37Å; P865-P867 WeakPolarHBondContact O-CD 3.1Å
866	V	34.2	Very low	39.4	Very low	96 Å²	96	118.6 Å²	118.6	58%	0.582	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-47.8	118.7	180	176.4	0	0	0	0	107.2	Q864 L868 F871	Q864-V866 PolarHBondContact O-N 3.08Å; V866-L868 PolarHBondContact O-N 2.94Å; V866-F871 HydrophobicContact CG1-CD2 3.92Å; V866-F871 HydrophobicContact CG1-CE2 3.69Å
867	P	32.1	Very low	39.7	Very low	83 Å²	83	119.5 Å²	119.5	54%	0.539	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-55	120.7	-164.5	-30.9	35.5	0	0	0	111.3	P865 A869 V870	P865-P867 WeakPolarHBondContact O-CD 3.1Å; P867-A869 PolarHBondContact O-N 2.87Å; P867-V870 HydrophobicContact CB-CG2 4.2Å; P867-V870 PolarHBondContact O-N 3.41Å; P867-V870 WeakPolarHBondContact O-CB 3.43Å
868	L	43.3	Very low	39.8	Very low	156 Å²	156	119.5 Å²	119.5	82%	0.817	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-10.9	-174.6	-72.4	163	0	0	0	113.6	V866 V870 F871	V866-L868 PolarHBondContact O-N 2.94Å; L868-V870 VanDerWaalsContact C-N 3.33Å; L868-F871 VanDerWaalsContact O-O 3.11Å
869	A	48	Very low	40.1	Very low	102 Å²	102	119.3 Å²	119.3	84%	0.843	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-9.2	170.2	0	0	0	0	0	114.8	P867	P867-A869 PolarHBondContact O-N 2.87Å
870	V	44.4	Very low	40.3	Very low	87 Å²	87	119.5 Å²	119.5	53%	0.527	66%	0.656	S	S	.	*	S	Bend	trans	-102.2	-11.2	-175	-177.7	0	0	0	0	112.7	K416 P867 L868	K416-V870 PolarHBondContact NZ-O 2.92Å; P867-V870 HydrophobicContact CB-CG2 4.2Å; P867-V870 PolarHBondContact O-N 3.41Å; P867-V870 WeakPolarHBondContact O-CB 3.43Å; L868-V870 VanDerWaalsContact C-N 3.33Å
871	F	44.7	Very low	40.4	Very low	74 Å²	74	121 Å²	121	33%	0.325	66%	0.664	S	S	.	*	S	Bend	trans	-140	107.3	175.4	-67.3	-102.5	0	0	0	107	K416 V866 L868 S873	K416-F871 HydrophobicContact CD-CE1 3.63Å; K416-F871 HydrophobicContact CD-CZ 3.87Å; V866-F871 HydrophobicContact CG1-CD2 3.92Å; V866-F871 HydrophobicContact CG1-CE2 3.69Å; L868-F871 VanDerWaalsContact O-O 3.11Å; F871-S873 PolarHBondContact O-N 3.03Å
872	G	44.9	Very low	40.7	Very low	29 Å²	29	122.3 Å²	122.3	30%	0.299	67%	0.673	S	S	.	*			trans	-59.5	125.1	-171.1	0	0	0	0	0	112.3
873	S	51.3	Low	41.1	Very low	94 Å²	94	122.3 Å²	122.3	66%	0.657	68%	0.677	S	S	*	*			trans	-56.9	147.1	158.5	54.4	0	0	0	0	109.3	F871 K875	F871-S873 PolarHBondContact O-N 3.03Å; S873-K875 PolarHBondContact O-N 2.68Å; S873-K875 VanDerWaalsContact O-N 3.08Å
874	L	49.7	Very low	41.2	Very low	67 Å²	67	119.9 Å²	119.9	35%	0.351	67%	0.672	S	S	.	*			trans	-44.4	124.4	162.2	-105.7	78.6	0	0	0	108.1	I370 Q406 K876	I370-L874 HydrophobicContact CD1-CD1 3.52Å; Q406-L874 VanDerWaalsContact OE1-CG 3.27Å; L874-K876 PolarHBondContact O-N 3.18Å
875	K	47.7	Very low	41.7	Very low	175 Å²	175	119.4 Å²	119.4	76%	0.761	67%	0.674	S	S	*	*			trans	-56.5	138.1	162.7	-97.4	-163.3	166.4	-151.7	0	107.3	S873	S873-K875 PolarHBondContact O-N 2.68Å; S873-K875 VanDerWaalsContact O-N 3.08Å
876	K	47.1	Very low	41.4	Very low	173 Å²	173	125.7 Å²	125.7	75%	0.752	70%	0.702	S	S	*	*			trans	-59.9	141.8	156.1	-73.3	-172.8	169.9	-166.1	0	107.6	L874 D878	L874-K876 PolarHBondContact O-N 3.18Å; K876-D878 PolarHBondContact O-N 2.67Å; K876-D878 VanDerWaalsContact O-N 3.15Å
877	T	38.3	Very low	41.8	Very low	113 Å²	113	127.2 Å²	127.2	69%	0.693	71%	0.708	S	S	*	*			trans	-67.5	102.5	156.7	42.1	0	0	0	0	106.2	D879	T877-D879 WeakPolarHBondContact CB-OD2 3.43Å; T877-D879 PolarHBondContact O-N 2.75Å
878	D	34.7	Very low	42.3	Very low	130 Å²	130	129.5 Å²	129.5	70%	0.695	72%	0.717	S	S	*	*			trans	-76.6	69.7	169.3	-56.2	-43	0	0	0	106.9	K876	K876-D878 PolarHBondContact O-N 2.67Å; K876-D878 VanDerWaalsContact O-N 3.15Å
879	D	37.1	Very low	42.2	Very low	139 Å²	139	128.1 Å²	128.1	74%	0.743	71%	0.711	S	S	*	*			trans	-125.4	37.2	179.3	-70.1	-64	0	0	0	109.9	T877	T877-D879 WeakPolarHBondContact CB-OD2 3.43Å; T877-D879 PolarHBondContact O-N 2.75Å
880	D	37.9	Very low	41.9	Very low	150 Å²	150	129.6 Å²	129.6	80%	0.802	70%	0.704	S	S	*	*			trans	-115.7	150.2	158.4	-75.7	-56.1	0	0	0	106.3
881	D	37.7	Very low	41.7	Very low	168 Å²	168	132.3 Å²	132.3	90%	0.898	72%	0.715	S	S	*	*			trans	74.1	77.1	-171.7	-57.8	-22.2	0	0	0	116.1
882	D	39.7	Very low	41.5	Very low	165 Å²	165	136.1 Å²	136.1	88%	0.882	74%	0.741	S	S	*	*			trans	-131.2	130.6	148.4	-145.6	-0.2	0	0	0	109
883	D	39.7	Very low	41.3	Very low	150 Å²	150	143.8 Å²	143.8	80%	0.802	77%	0.772	S	S	*	*			trans	-60.5	155.7	-145.9	-78.1	-41.4	0	0	0	119.8
884	S	39.1	Very low	40.5	Very low	95 Å²	95	147.6 Å²	147.6	66%	0.664	78%	0.781	S	S	*	*			trans	-43.9	151.4	163.8	54.4	0	0	0	0	117.4
885	D	42.3	Very low	39.7	Very low	149 Å²	149	154.3 Å²	154.3	80%	0.797	82%	0.817	S	S	*	*			trans	60	92.7	152	-63.8	-13	0	0	0	118.6
886	N	35.5	Very low	39	Very low	245 Å²	245	152.5 Å²	152.5	100%	1.31	82%	0.822	S	S	*	*				-160.6	0	128.1	-101.2	-84.3	0	0	0	111.8

Retrieved 886 of 886 residues in 614.4 ms (Link to these results)

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