A0A093HVY3_STRCA Loading...

Chloride channel protein

AlphaFold DB , UniProt , Accession A0A093HVY3, Species STRCA (Struthio camelus australis), Gene n/a, Length 760 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	26.3	Very low	238 Å²	238	134.5 Å²	134.5	100%	1.172	86%	0.855	S	S	*	*				0	122.8	0	-100.8	177.9	173.9	0	0	107.6
2	V	27.3	Very low	26.3	Very low	131 Å²	131	136.4 Å²	136.4	79%	0.794	85%	0.853	S	S	*	*			trans	72.1	130.1	163.1	-168.9	0	0	0	0	115.5
3	N	25.8	Very low	26.5	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	85%	0.854	S	S	*	*			cis	-158.3	136	-13.9	-113.6	-4.7	0	0	0	105.5
4	A	27.5	Very low	26.6	Very low	109 Å²	109	138.6 Å²	138.6	90%	0.901	84%	0.842	S	S	*	*			trans	-94.7	129.2	162.3	0	0	0	0	0	107.7
5	G	24.7	Very low	27	Very low	76 Å²	76	134.8 Å²	134.8	78%	0.784	82%	0.815	S	S	*	*			trans	-153.2	128.1	179.2	0	0	0	0	0	110.6
6	D	27.5	Very low	27.6	Very low	162 Å²	162	136.2 Å²	136.2	87%	0.866	81%	0.807	S	S	*	*			trans	-46.8	143.8	-176.9	-71.5	-51.7	0	0	0	116.1
7	M	24.6	Very low	28.4	Very low	188 Å²	188	133.6 Å²	133.6	93%	0.926	79%	0.788	S	S	*	*			trans	-132	105.1	143.6	-75.3	-167	79.5	0	0	109.9	G9	M7-G9 PolarHBondContact O-N 2.71Å
8	N	27.1	Very low	28.9	Very low	171 Å²	171	133.6 Å²	133.6	91%	0.914	78%	0.784	S	S	*	*			trans	-42.7	112	159.5	-103.8	-22.1	0	0	0	111
9	G	23.6	Very low	29.4	Very low	70 Å²	70	133.8 Å²	133.8	72%	0.722	78%	0.777	S	S	*	*			trans	-114.3	95.1	160.3	0	0	0	0	0	108	M7 G11	M7-G9 PolarHBondContact O-N 2.71Å; G9-G11 PolarHBondContact O-N 2.95Å
10	S	24.8	Very low	29.8	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	77%	0.773	S	S	*	*			trans	-59.7	92.3	164.2	52.4	0	0	0	0	108	N12	S10-N12 PolarHBondContact O-N 2.82Å
11	G	24	Very low	30.5	Very low	70 Å²	70	129.1 Å²	129.1	72%	0.722	75%	0.749	S	S	*	*			trans	-61.9	103.7	170.8	0	0	0	0	0	107.8	G9 L13	G9-G11 PolarHBondContact O-N 2.95Å; G11-L13 PolarHBondContact O-N 3.47Å
12	N	25.6	Very low	30.6	Very low	157 Å²	157	124.2 Å²	124.2	84%	0.84	74%	0.735	S	S	*	*			trans	-56	95.2	158.8	-82.1	-30.6	0	0	0	106.4	S10 M14	S10-N12 PolarHBondContact O-N 2.82Å; N12-M14 PolarHBondContact O-N 3.16Å
13	L	28.6	Very low	31.1	Very low	165 Å²	165	123.1 Å²	123.1	86%	0.864	72%	0.724	S	S	*	*			trans	-53.3	106	169.7	-165.9	81.7	0	0	0	105.7	G11 D15	G11-L13 PolarHBondContact O-N 3.47Å; L13-D15 PolarHBondContact O-N 2.81Å
14	M	28	Very low	31.9	Very low	139 Å²	139	116.9 Å²	116.9	69%	0.685	69%	0.692	S	S	*	*			trans	-49.7	119.8	179.3	-83.8	-168.2	-171.6	0	0	108.5	N12 F16	N12-M14 PolarHBondContact O-N 3.16Å; M14-F16 VanDerWaalsContact C-N 3.27Å; M14-F16 HydrophobicContact CB-CD1 4.46Å; M14-F16 HydrophobicContact CB-CD2 3.95Å; M14-F16 HydrophobicContact CB-CE1 3.96Å; M14-F16 HydrophobicContact CB-CE2 3.38Å; M14-F16 HydrophobicContact CB-CG 4.45Å; M14-F16 HydrophobicContact CB-CZ 3.39Å; M14-F16 HydrophobicContact CG-CZ 4.16Å; M14-F16 WeakPolarHBondContact O-CD2 3.42Å; M14-F16 WeakPolarHBondContact O-CE2 3.37Å; M14-F16 PolarHBondContact O-N 3.32Å; M14-F16 HydrophobicContact SD-CE1 3.97Å; M14-F16 HydrophobicContact SD-CZ 3.72Å
15	D	33.1	Very low	32.8	Very low	81 Å²	81	112.9 Å²	112.9	43%	0.433	66%	0.661	S	S	.	*			trans	-84.6	76.4	-171.6	-148.6	-17.9	0	0	0	108.1	L13 L17 D18 R695	L13-D15 PolarHBondContact O-N 2.81Å; D15-L17 PolarHBondContact O-N 2.9Å; D15-D18 PolarHBondContact O-N 2.6Å; D15-R695 IonicContact OD1-CZ 3.61Å; D15-R695 IonicContact OD1-NH1 3.13Å; D15-R695 PolarHBondContact OD1-NH1 3.42Å; D15-R695 IonicContact OD1-NH2 3.28Å; D15-R695 PolarHBondContact OD1-NH2 3.47Å; D15-R695 IonicContact OD2-CZ 3.58Å; D15-R695 IonicContact OD2-NH1 3.21Å; D15-R695 PolarHBondContact OD2-NH1 3.27Å; D15-R695 IonicContact OD2-NH2 2.86Å; D15-R695 PolarHBondContact OD2-NH2 2.83Å
16	F	36.9	Very low	34.1	Very low	157 Å²	157	112.7 Å²	112.7	69%	0.689	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	11.7	-169.2	-68.5	-75.9	0	0	0	115.7	M14	M14-F16 VanDerWaalsContact C-N 3.27Å; M14-F16 HydrophobicContact CB-CD1 4.46Å; M14-F16 HydrophobicContact CB-CD2 3.95Å; M14-F16 HydrophobicContact CB-CE1 3.96Å; M14-F16 HydrophobicContact CB-CE2 3.38Å; M14-F16 HydrophobicContact CB-CG 4.45Å; M14-F16 HydrophobicContact CB-CZ 3.39Å; M14-F16 HydrophobicContact CG-CZ 4.16Å; M14-F16 WeakPolarHBondContact O-CD2 3.42Å; M14-F16 WeakPolarHBondContact O-CE2 3.37Å; M14-F16 PolarHBondContact O-N 3.32Å; M14-F16 HydrophobicContact SD-CE1 3.97Å; M14-F16 HydrophobicContact SD-CZ 3.72Å
17	L	40.3	Very low	35.4	Very low	92 Å²	92	106.7 Å²	106.7	48%	0.482	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.8	6.4	172.3	-68.4	172.7	0	0	0	113.1	D15 E19	D15-L17 PolarHBondContact O-N 2.9Å; L17-E19 VanDerWaalsContact C-N 3.27Å; L17-E19 PolarHBondContact O-N 3.43Å
18	D	38.6	Very low	36.9	Very low	134 Å²	134	103.1 Å²	103.1	72%	0.717	59%	0.591	S	S	*	*			trans	-73.1	-11.1	-179.4	-95.6	-16.6	0	0	0	115.2	D15 P20	D15-D18 PolarHBondContact O-N 2.6Å; D18-P20 VanDerWaalsContact O-CD 3.28Å; D18-P20 WeakPolarHBondContact O-CD 3.38Å
19	E	36.8	Very low	38.3	Very low	138 Å²	138	97.5 Å²	97.5	65%	0.645	56%	0.561	S	S	*	*	S	Bend	trans	-84	114.4	170.1	-76.5	-168.3	152.4	0	0	110.6	L17 F21	L17-E19 VanDerWaalsContact C-N 3.27Å; L17-E19 PolarHBondContact O-N 3.43Å; E19-F21 PolarHBondContact O-N 2.91Å; E19-F21 VanDerWaalsContact O-N 3.11Å
20	P	38.8	Very low	40.2	Very low	109 Å²	109	99.1 Å²	99.1	71%	0.708	55%	0.548	S	S	*	.			trans	-59.8	122.1	171.4	24.2	-31	0	0	0	108.6	D18	D18-P20 VanDerWaalsContact O-CD 3.28Å; D18-P20 WeakPolarHBondContact O-CD 3.38Å
21	F	43.2	Very low	42.5	Very low	60 Å²	60	95.5 Å²	95.5	26%	0.263	52%	0.519	S	S	.	.			trans	-43.5	126.8	-177.3	-60.8	-69.2	0	0	0	112.4	E19 D23 V24 L656 N660 I696	E19-F21 PolarHBondContact O-N 2.91Å; E19-F21 VanDerWaalsContact O-N 3.11Å; F21-D23 PolarHBondContact O-N 3.2Å; F21-V24 HydrophobicContact CB-CB 4.23Å; F21-V24 HydrophobicContact CB-CG2 3.34Å; F21-V24 HydrophobicContact CD2-CG2 4.19Å; F21-V24 HydrophobicContact CG-CG2 4.07Å; F21-L656 HydrophobicContact CB-CD2 3.55Å; F21-L656 HydrophobicContact CD1-CD2 3.17Å; F21-L656 HydrophobicContact CD2-CD2 4.11Å; F21-L656 HydrophobicContact CE1-CD2 3.82Å; F21-L656 HydrophobicContact CG-CD2 3.33Å; F21-L656 HydrophobicContact CZ-CD2 4.5Å; F21-N660 WeakPolarHBondContact CD1-ND2 3.21Å; F21-N660 WeakPolarHBondContact CE1-ND2 3.31Å; F21-I696 HydrophobicContact CE2-CG2 4.44Å
22	P	35.4	Very low	44.9	Very low	135 Å²	135	93.4 Å²	93.4	88%	0.877	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.2	-166.3	20.9	-30.4	0	0	0	115.2
23	D	37.2	Very low	47.6	Very low	107 Å²	107	86 Å²	86	57%	0.572	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	17.6	-171.6	-129	-8.7	0	0	0	115	F21 G25 R652	F21-D23 PolarHBondContact O-N 3.2Å; D23-G25 VanDerWaalsContact C-N 3.27Å; D23-G25 PolarHBondContact O-N 3.21Å; D23-R652 PolarHBondContact O-NH2 3.47Å
24	V	43.4	Very low	50	Low	23 Å²	23	79.2 Å²	79.2	14%	0.139	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	34.2	-173	179.4	0	0	0	0	113.1	F21 R37 R41 L656	F21-V24 HydrophobicContact CB-CB 4.23Å; F21-V24 HydrophobicContact CB-CG2 3.34Å; F21-V24 HydrophobicContact CD2-CG2 4.19Å; F21-V24 HydrophobicContact CG-CG2 4.07Å; V24-R37 VanDerWaalsContact CG1-NH2 3.32Å; V24-R41 PolarHBondContact O-NH1 2.89Å; V24-L656 HydrophobicContact CG2-CD2 4.04Å
25	G	45.4	Very low	52.5	Low	24 Å²	24	74.7 Å²	74.7	25%	0.247	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-18.3	-170.9	0	0	0	0	0	117.1	D23	D23-G25 VanDerWaalsContact C-N 3.27Å; D23-G25 PolarHBondContact O-N 3.21Å
26	T	52.3	Low	54.7	Low	73 Å²	73	74.3 Å²	74.3	45%	0.448	39%	0.39	S	S	.	.			trans	-106.2	96.4	-164.5	45.9	0	0	0	0	111.8	R652	T26-R652 PolarHBondContact O-NH1 3.23Å; T26-R652 PolarHBondContact OG1-NH2 2.99Å; T26-R652 VanDerWaalsContact OG1-NH2 3.08Å
27	Y	55.3	Low	56.7	Low	36 Å²	36	69.5 Å²	69.5	14%	0.141	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-56.8	140.9	169.3	-62.4	-92.5	0	0	0	110.6	I33 D34 E38 I194 R196 E249	Y27-I33 HydrophobicContact CD2-CG2 3.99Å; Y27-I33 HydrophobicContact CE1-CB 4.36Å; Y27-I33 HydrophobicContact CE1-CG2 4.49Å; Y27-I33 HydrophobicContact CE2-CB 4.23Å; Y27-I33 HydrophobicContact CE2-CG2 3.91Å; Y27-I33 HydrophobicContact CG-CG2 4.31Å; Y27-D34 PolarHBondContact OH-N 2.73Å; Y27-E38 WeakPolarHBondContact CE2-OE1 3.18Å; Y27-E38 PolarHBondContact OH-OE1 3Å; Y27-I194 HydrophobicContact CD2-CD1 3.93Å; Y27-I194 HydrophobicContact CG-CD1 3.77Å; Y27-R196 PolarHBondContact O-NE 3.07Å; Y27-R196 PolarHBondContact O-NH2 2.68Å; Y27-E249 HydrophobicContact CD2-CG 3.76Å; Y27-E249 HydrophobicContact CE2-CB 4.18Å; Y27-E249 HydrophobicContact CE2-CG 3.86Å
28	E	55.3	Low	58.8	Low	113 Å²	113	65.3 Å²	65.3	53%	0.528	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-68.6	166.5	176.5	-77.2	172.9	-167.4	0	0	112.2	H31	E28-H31 WeakPolarHBondContact CB-CD2 3.48Å; E28-H31 WeakPolarHBondContact CB-NE2 3.4Å; E28-H31 PolarHBondContact O-N 2.92Å; E28-H31 IonicContact OE2-CD2 2.67Å; E28-H31 IonicContact OE2-CE1 2.76Å; E28-H31 IonicContact OE2-NE2 3.94Å; E28-H31 PolarHBondContact OE2-NE2 3.28Å
29	D	57.9	Low	60.8	Low	53 Å²	53	65.6 Å²	65.6	28%	0.283	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	144.6	179	-152.5	10.4	0	0	0	110.9	H31 R196	D29-H31 PolarHBondContact O-CD2 2.89Å; D29-H31 VanDerWaalsContact O-CD2 3.24Å; D29-H31 PolarHBondContact O-N 2.98Å; D29-R196 HydrophobicContact CB-CB 4.45Å; D29-R196 HydrophobicContact CB-CG 4.09Å; D29-R196 PolarHBondContact OD1-N 3.36Å
30	F	63.9	Low	63	Low	103 Å²	103	62 Å²	62	45%	0.452	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	26.5	-176.2	-55.9	-93.1	0	0	0	114.9	F193 I194	F30-F193 VanDerWaalsContact C-CE2 3.44Å; F30-F193 VanDerWaalsContact CA-CZ 3.48Å; F30-F193 HydrophobicContact CB-CE1 4.48Å; F30-F193 HydrophobicContact CB-CE2 4.17Å; F30-F193 HydrophobicContact CB-CZ 3.67Å; F30-F193 AromaticContact CD1-CE1 3.69Å; F30-F193 HydrophobicContact CD1-CE1 3.69Å; F30-F193 AromaticContact CD1-CZ 3.52Å; F30-F193 HydrophobicContact CD1-CZ 3.52Å; F30-F193 HydrophobicContact CE1-CE1 4.35Å; F30-F193 HydrophobicContact CG-CE1 4.44Å; F30-F193 HydrophobicContact CG-CZ 4.02Å; F30-F193 VanDerWaalsContact O-CE2 3.24Å; F30-F193 WeakPolarHBondContact O-CE2 3.44Å; F30-I194 WeakPolarHBondContact CA-O 3.46Å; F30-I194 PolarHBondContact N-O 2.87Å
31	H	72.8	Confident	65	Low	37 Å²	37	61 Å²	61	17%	0.171	31%	0.313	C	S	.	.			trans	-104.3	160.6	169.4	-74	-100.3	0	0	0	112.7	E28 D29 I194 R723	E28-H31 WeakPolarHBondContact CB-CD2 3.48Å; E28-H31 WeakPolarHBondContact CB-NE2 3.4Å; E28-H31 PolarHBondContact O-N 2.92Å; E28-H31 IonicContact OE2-CD2 2.67Å; E28-H31 IonicContact OE2-CE1 2.76Å; E28-H31 IonicContact OE2-NE2 3.94Å; E28-H31 PolarHBondContact OE2-NE2 3.28Å; D29-H31 PolarHBondContact O-CD2 2.89Å; D29-H31 VanDerWaalsContact O-CD2 3.24Å; D29-H31 PolarHBondContact O-N 2.98Å; H31-I194 PolarHBondContact O-N 3.35Å; H31-R723 PolarHBondContact ND1-NH2 3.02Å; H31-R723 VanDerWaalsContact ND1-NH2 3.16Å
32	T	74.7	Confident	67	Low	25 Å²	25	59.7 Å²	59.7	15%	0.153	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-98.9	139.9	174.8	55.6	0	0	0	0	111.3	G192 F193 K739	T32-G192 CarbonylContact C-O 3.47Å; T32-G192 VanDerWaalsContact CA-O 3.32Å; T32-G192 WeakPolarHBondContact CA-O 3.41Å; T32-F193 HydrophobicContact CG2-CD2 4.2Å; T32-K739 HydrophobicContact CG2-CD 4.23Å
33	I	81.4	Confident	69.3	Low	2 Å²	2	56 Å²	56	1%	0.01	28%	0.283	C	S	.	.			trans	-71.5	156.1	175.4	65.8	166.7	0	0	0	112.4	Y27 W35 G192 I194 E249	Y27-I33 HydrophobicContact CD2-CG2 3.99Å; Y27-I33 HydrophobicContact CE1-CB 4.36Å; Y27-I33 HydrophobicContact CE1-CG2 4.49Å; Y27-I33 HydrophobicContact CE2-CB 4.23Å; Y27-I33 HydrophobicContact CE2-CG2 3.91Å; Y27-I33 HydrophobicContact CG-CG2 4.31Å; I33-W35 HydrophobicContact CD1-CD2 3.65Å; I33-W35 VanDerWaalsContact CD1-CE2 3.46Å; I33-W35 HydrophobicContact CD1-CE3 4Å; I33-W35 HydrophobicContact CD1-CG 4.15Å; I33-W35 HydrophobicContact CD1-CH2 4.06Å; I33-W35 HydrophobicContact CD1-CZ2 3.71Å; I33-W35 HydrophobicContact CD1-CZ3 4.18Å; I33-W35 HydrophobicContact CG1-CD2 4.28Å; I33-W35 HydrophobicContact CG1-CG 4.34Å; I33-W35 HydrophobicContact CG1-CZ2 4.47Å; I33-G192 PolarHBondContact N-O 3.21Å; I33-I194 HydrophobicContact CG2-CD1 3.53Å; I33-I194 HydrophobicContact CG2-CG1 4.06Å; I33-E249 HydrophobicContact CG2-CB 3.94Å; I33-E249 HydrophobicContact CG2-CG 4.29Å
34	D	78.4	Confident	71.5	Confident	23 Å²	23	54.2 Å²	54.2	12%	0.123	27%	0.274	C	S	.	.			trans	-101.6	97.4	170.1	-175.6	-15.8	0	0	0	109.5	Y27 L36 R37 E38	Y27-D34 PolarHBondContact OH-N 2.73Å; D34-L36 VanDerWaalsContact C-N 3.29Å; D34-L36 PolarHBondContact O-N 2.95Å; D34-L36 PolarHBondContact OD1-N 3.45Å; D34-R37 HydrophobicContact CB-CB 3.91Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-R37 PolarHBondContact OD1-N 2.92Å; D34-E38 WeakPolarHBondContact O-CG 3.16Å; D34-E38 PolarHBondContact O-N 3.21Å
35	W	80.8	Confident	73.5	Confident	43 Å²	43	56.5 Å²	56.5	16%	0.163	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-35.5	-176	-70.8	91.3	0	0	0	113.3	I33 K39 L190 R253 L720 G721	I33-W35 HydrophobicContact CD1-CD2 3.65Å; I33-W35 VanDerWaalsContact CD1-CE2 3.46Å; I33-W35 HydrophobicContact CD1-CE3 4Å; I33-W35 HydrophobicContact CD1-CG 4.15Å; I33-W35 HydrophobicContact CD1-CH2 4.06Å; I33-W35 HydrophobicContact CD1-CZ2 3.71Å; I33-W35 HydrophobicContact CD1-CZ3 4.18Å; I33-W35 HydrophobicContact CG1-CD2 4.28Å; I33-W35 HydrophobicContact CG1-CG 4.34Å; I33-W35 HydrophobicContact CG1-CZ2 4.47Å; W35-K39 WeakPolarHBondContact O-CB 3.39Å; W35-K39 PolarHBondContact O-N 2.83Å; W35-L190 WeakPolarHBondContact CZ2-O 3.43Å; W35-R253 HydrophobicContact CH2-CB 4.12Å; W35-R253 HydrophobicContact CH2-CG 4.48Å; W35-L720 WeakPolarHBondContact CB-O 3.26Å; W35-G721 VanDerWaalsContact CD1-CA 3.46Å; W35-G721 VanDerWaalsContact CD1-O 3.26Å
36	L	80.1	Confident	75.5	Confident	74 Å²	74	60.1 Å²	60.1	39%	0.387	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-45.4	178.6	-73.2	176.4	0	0	0	110.6	D34 K39 S40 L722	D34-L36 VanDerWaalsContact C-N 3.29Å; D34-L36 PolarHBondContact O-N 2.95Å; D34-L36 PolarHBondContact OD1-N 3.45Å; L36-K39 PolarHBondContact O-N 3.32Å; L36-S40 PolarHBondContact O-N 2.97Å; L36-L722 HydrophobicContact CD1-CD2 3.4Å; L36-L722 VanDerWaalsContact CD1-CD2 3.4Å; L36-L722 HydrophobicContact CG-CD2 4.11Å
37	R	79	Confident	77.1	Confident	56 Å²	56	64.7 Å²	64.7	21%	0.211	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-46.9	177	-175.5	-177.5	174.5	155	12.4	111.8	V24 D34 K39 S40 R41 E653	V24-R37 VanDerWaalsContact CG1-NH2 3.32Å; D34-R37 HydrophobicContact CB-CB 3.91Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-R37 PolarHBondContact OD1-N 2.92Å; R37-K39 VanDerWaalsContact C-N 3.29Å; R37-K39 PolarHBondContact O-N 3.02Å; R37-S40 PolarHBondContact O-N 3.46Å; R37-R41 WeakPolarHBondContact O-CG 3.17Å; R37-R41 PolarHBondContact O-N 3.43Å; R37-E653 IonicContact CZ-OE1 3.28Å; R37-E653 IonicContact NH1-OE1 2.97Å; R37-E653 PolarHBondContact NH1-OE1 3.06Å; R37-E653 IonicContact NH2-OE1 3.87Å; R37-E653 PolarHBondContact NH2-OE1 3.39Å
38	E	83.1	Confident	78.6	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.019	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-38.1	178.2	-68.2	-55.4	142.2	0	0	112.2	Y27 D34 D42 N248 E249	Y27-E38 WeakPolarHBondContact CE2-OE1 3.18Å; Y27-E38 PolarHBondContact OH-OE1 3Å; D34-E38 WeakPolarHBondContact O-CG 3.16Å; D34-E38 PolarHBondContact O-N 3.21Å; E38-D42 PolarHBondContact O-N 2.93Å; E38-N248 PolarHBondContact O-ND2 3.16Å; E38-N248 VanDerWaalsContact O-ND2 3.15Å; E38-N248 WeakPolarHBondContact OE2-CA 3.41Å; E38-N248 VanDerWaalsContact OE2-CG 3.29Å; E38-N248 PolarHBondContact OE2-OD1 3.13Å; E38-E249 PolarHBondContact OE2-N 2.8Å
39	K	82.6	Confident	80.1	Confident	139 Å²	139	65.5 Å²	65.5	60%	0.604	30%	0.303	S	S	*	.	H	α-helix	trans	-68	-42.1	176.7	-173.7	176.4	-178.9	178.4	0	112.3	W35 L36 R37 D42 T43	W35-K39 WeakPolarHBondContact O-CB 3.39Å; W35-K39 PolarHBondContact O-N 2.83Å; L36-K39 PolarHBondContact O-N 3.32Å; R37-K39 VanDerWaalsContact C-N 3.29Å; R37-K39 PolarHBondContact O-N 3.02Å; K39-D42 PolarHBondContact O-N 2.97Å; K39-T43 WeakPolarHBondContact O-CB 3.12Å; K39-T43 PolarHBondContact O-N 2.61Å; K39-T43 PolarHBondContact O-OG1 3.45Å
40	S	81.6	Confident	81.4	Confident	63 Å²	63	65.7 Å²	65.7	44%	0.441	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-48.1	174	163.6	0	0	0	0	110.8	L36 R37 D42 T43 D44	L36-S40 PolarHBondContact O-N 2.97Å; R37-S40 PolarHBondContact O-N 3.46Å; S40-D42 VanDerWaalsContact C-N 3.32Å; S40-D42 PolarHBondContact O-N 2.8Å; S40-T43 WeakPolarHBondContact O-CB 3.5Å; S40-T43 PolarHBondContact O-N 3.15Å; S40-T43 VanDerWaalsContact O-N 3.1Å; S40-D44 PolarHBondContact O-N 2.91Å
41	R	80.9	Confident	82.5	Confident	89 Å²	89	63.9 Å²	63.9	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-57.4	-41.7	177.2	-73.5	177.8	72.4	149.9	6	113	V24 R37 R45	V24-R41 PolarHBondContact O-NH1 2.89Å; R37-R41 WeakPolarHBondContact O-CG 3.17Å; R37-R41 PolarHBondContact O-N 3.43Å; R41-R45 WeakPolarHBondContact O-CB 3.17Å; R41-R45 PolarHBondContact O-N 3.16Å
42	D	84.7	Confident	83.2	Confident	31 Å²	31	67.2 Å²	67.2	17%	0.166	32%	0.32	C	S	.	.	H	α-helix	trans	-68.2	-39.5	177.1	-167.9	45.6	0	0	0	111.9	E38 K39 S40 R45 H46 K251	E38-D42 PolarHBondContact O-N 2.93Å; K39-D42 PolarHBondContact O-N 2.97Å; S40-D42 VanDerWaalsContact C-N 3.32Å; S40-D42 PolarHBondContact O-N 2.8Å; D42-R45 PolarHBondContact O-N 3.36Å; D42-R45 IonicContact OD1-NE 2.59Å; D42-R45 IonicContact OD1-NH2 3.7Å; D42-H46 WeakPolarHBondContact O-CB 3.5Å; D42-H46 PolarHBondContact O-N 2.71Å; D42-K251 WeakPolarHBondContact OD2-CE 3.38Å; D42-K251 IonicContact OD2-NZ 2.78Å
43	T	85.4	Confident	83.7	Confident	58 Å²	58	67 Å²	67	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-45.3	178.6	-55.7	0	0	0	0	111.2	K39 S40 H46 R47	K39-T43 WeakPolarHBondContact O-CB 3.12Å; K39-T43 PolarHBondContact O-N 2.61Å; K39-T43 PolarHBondContact O-OG1 3.45Å; S40-T43 WeakPolarHBondContact O-CB 3.5Å; S40-T43 PolarHBondContact O-N 3.15Å; S40-T43 VanDerWaalsContact O-N 3.1Å; T43-H46 PolarHBondContact O-N 2.96Å; T43-R47 WeakPolarHBondContact O-CG 3.46Å; T43-R47 PolarHBondContact O-N 2.89Å
44	D	83.1	Confident	83.9	Confident	70 Å²	70	75.7 Å²	75.7	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-67.8	-39.6	178.5	-66.9	-26	0	0	0	111.9	S40 H46 R47 K48	S40-D44 PolarHBondContact O-N 2.91Å; D44-H46 VanDerWaalsContact C-N 3.32Å; D44-H46 PolarHBondContact O-N 3.32Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 IonicContact OD1-NH1 2.8Å; D44-K48 WeakPolarHBondContact O-CG 3.48Å; D44-K48 PolarHBondContact O-N 3.02Å
45	R	85.8	Confident	84.3	Confident	70 Å²	70	81.7 Å²	81.7	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-58.5	-45.8	172.2	-173.1	-175.3	80.6	102	16.3	110.9	R41 D42 K48 I49 D66 K244	R41-R45 WeakPolarHBondContact O-CB 3.17Å; R41-R45 PolarHBondContact O-N 3.16Å; D42-R45 PolarHBondContact O-N 3.36Å; D42-R45 IonicContact OD1-NE 2.59Å; D42-R45 IonicContact OD1-NH2 3.7Å; R45-K48 PolarHBondContact O-N 2.91Å; R45-I49 HydrophobicContact CG-CD1 4.05Å; R45-I49 WeakPolarHBondContact O-CG1 3.1Å; R45-I49 PolarHBondContact O-N 2.93Å; R45-D66 IonicContact CZ-OD1 3.02Å; R45-D66 IonicContact CZ-OD2 2.74Å; R45-D66 IonicContact NH1-OD1 3.99Å; R45-D66 PolarHBondContact NH1-OD1 2.97Å; R45-D66 IonicContact NH1-OD2 3.19Å; R45-D66 IonicContact NH2-OD1 3.93Å; R45-D66 PolarHBondContact NH2-OD1 2.82Å; R45-D66 IonicContact NH2-OD2 2.62Å; R45-D66 PolarHBondContact NH2-OD2 3.39Å; R45-K244 VanDerWaalsContact NH2-CE 3.34Å
46	H	85.9	Confident	84.8	Confident	100 Å²	100	82.4 Å²	82.4	46%	0.463	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-44.7	-179.3	-157.9	60.3	0	0	0	111.3	D42 T43 D44 K48 I49 T50	D42-H46 WeakPolarHBondContact O-CB 3.5Å; D42-H46 PolarHBondContact O-N 2.71Å; T43-H46 PolarHBondContact O-N 2.96Å; D44-H46 VanDerWaalsContact C-N 3.32Å; D44-H46 PolarHBondContact O-N 3.32Å; H46-K48 VanDerWaalsContact C-N 3.34Å; H46-K48 PolarHBondContact O-N 2.89Å; H46-I49 PolarHBondContact O-N 3.37Å; H46-T50 PolarHBondContact O-N 3.43Å; H46-T50 PolarHBondContact O-OG1 2.84Å
47	R	87.1	Confident	85.2	Confident	169 Å²	169	85.5 Å²	85.5	64%	0.638	41%	0.412	S	S	*	.	H	α-helix	trans	-56.3	-45.9	174.2	-73.8	172.7	177.3	178.3	-3.5	112.1	T43 D44 I49 T50 S51	T43-R47 WeakPolarHBondContact O-CG 3.46Å; T43-R47 PolarHBondContact O-N 2.89Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 IonicContact OD1-NH1 2.8Å; R47-I49 PolarHBondContact O-N 2.9Å; R47-T50 PolarHBondContact O-N 2.91Å; R47-S51 WeakPolarHBondContact O-CB 3.33Å; R47-S51 PolarHBondContact O-N 2.88Å; R47-S51 PolarHBondContact O-OG 3.34Å
48	K	86.8	Confident	85.6	Confident	133 Å²	133	91 Å²	91	58%	0.578	43%	0.433	S	S	*	.	H	α-helix	trans	-62.5	-38.7	177.5	-73.1	178.1	-178	-172	0	112.8	D44 R45 H46 S51 K52	D44-K48 WeakPolarHBondContact O-CG 3.48Å; D44-K48 PolarHBondContact O-N 3.02Å; R45-K48 PolarHBondContact O-N 2.91Å; H46-K48 VanDerWaalsContact C-N 3.34Å; H46-K48 PolarHBondContact O-N 2.89Å; K48-S51 PolarHBondContact O-OG 2.8Å; K48-K52 WeakPolarHBondContact O-CB 3.33Å; K48-K52 WeakPolarHBondContact O-CG 3.48Å; K48-K52 PolarHBondContact O-N 3Å
49	I	85.8	Confident	85.9	Confident	33 Å²	33	92.5 Å²	92.5	17%	0.169	44%	0.44	C	S	.	.	H	α-helix	trans	-70.8	-44.4	177.3	-67.1	166.8	0	0	0	110.1	R45 H46 R47 S51 K52 S53	R45-I49 HydrophobicContact CG-CD1 4.05Å; R45-I49 WeakPolarHBondContact O-CG1 3.1Å; R45-I49 PolarHBondContact O-N 2.93Å; H46-I49 PolarHBondContact O-N 3.37Å; R47-I49 PolarHBondContact O-N 2.9Å; I49-S51 PolarHBondContact O-N 2.91Å; I49-K52 PolarHBondContact O-N 3.18Å; I49-S53 WeakPolarHBondContact O-CB 3.41Å; I49-S53 PolarHBondContact O-N 2.87Å
50	T	85.4	Confident	86.1	Confident	58 Å²	58	91.2 Å²	91.2	36%	0.356	44%	0.435	S	S	.	.	H	α-helix	trans	-65.5	-39.1	179.2	-53.6	0	0	0	0	111.8	H46 R47 S53	H46-T50 PolarHBondContact O-N 3.43Å; H46-T50 PolarHBondContact O-OG1 2.84Å; R47-T50 PolarHBondContact O-N 2.91Å; T50-S53 PolarHBondContact O-N 3.34Å; T50-S53 PolarHBondContact O-OG 2.83Å
51	S	87.8	Confident	86.4	Confident	64 Å²	64	92.3 Å²	92.3	45%	0.448	44%	0.435	S	S	.	.	H	α-helix	trans	-63.3	-48.4	175.6	66.6	0	0	0	0	111.5	R47 K48 I49 S53 K54	R47-S51 WeakPolarHBondContact O-CB 3.33Å; R47-S51 PolarHBondContact O-N 2.88Å; R47-S51 PolarHBondContact O-OG 3.34Å; K48-S51 PolarHBondContact O-OG 2.8Å; I49-S51 PolarHBondContact O-N 2.91Å; S51-S53 VanDerWaalsContact C-N 3.31Å; S51-S53 PolarHBondContact O-N 2.84Å; S51-K54 PolarHBondContact O-N 3.24Å
52	K	86.4	Confident	86.6	Confident	107 Å²	107	93 Å²	93	47%	0.465	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-29.6	179	-72.4	-172.8	175.4	-162.2	0	113.9	K48 I49 K54 E55 E59	K48-K52 WeakPolarHBondContact O-CB 3.33Å; K48-K52 WeakPolarHBondContact O-CG 3.48Å; K48-K52 PolarHBondContact O-N 3Å; I49-K52 PolarHBondContact O-N 3.18Å; K52-K54 PolarHBondContact O-N 3.04Å; K52-K54 VanDerWaalsContact O-N 3.11Å; K52-E55 WeakPolarHBondContact O-CB 3.38Å; K52-E55 PolarHBondContact O-N 3.48Å; K52-E59 HydrophobicContact CB-CG 4.48Å; K52-E59 WeakPolarHBondContact O-CB 3.49Å
53	S	84.9	Confident	86.7	Confident	21 Å²	21	92.8 Å²	92.8	15%	0.147	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.4	177.4	71.8	0	0	0	0	114.1	I49 T50 S51 E55	I49-S53 WeakPolarHBondContact O-CB 3.41Å; I49-S53 PolarHBondContact O-N 2.87Å; T50-S53 PolarHBondContact O-N 3.34Å; T50-S53 PolarHBondContact O-OG 2.83Å; S51-S53 VanDerWaalsContact C-N 3.31Å; S51-S53 PolarHBondContact O-N 2.84Å; S53-E55 VanDerWaalsContact C-N 3.34Å
54	K	85.8	Confident	86.8	Confident	184 Å²	184	93.9 Å²	93.9	80%	0.8	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.8	175.6	-62.8	-177	179.5	-177.1	0	113.2	S51 K52	S51-K54 PolarHBondContact O-N 3.24Å; K52-K54 PolarHBondContact O-N 3.04Å; K52-K54 VanDerWaalsContact O-N 3.11Å
55	E	87.7	Confident	86.9	Confident	150 Å²	150	96.1 Å²	96.1	70%	0.701	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-29.9	-174.1	-61.6	174.2	176.1	0	0	112.6	K52 S53	K52-E55 WeakPolarHBondContact O-CB 3.38Å; K52-E55 PolarHBondContact O-N 3.48Å; S53-E55 VanDerWaalsContact C-N 3.34Å
56	S	90.6	Very high	87	Confident	58 Å²	58	94 Å²	94	41%	0.406	45%	0.449	S	S	.	.			trans	-152.7	146.9	-174.9	177	0	0	0	0	113.3	W58 E59 F60	S56-W58 PolarHBondContact O-N 2.9Å; S56-W58 PolarHBondContact OG-N 2.86Å; S56-E59 PolarHBondContact O-N 3.19Å; S56-F60 PolarHBondContact O-N 3.24Å
57	I	89.1	Confident	87	Confident	138 Å²	138	91.8 Å²	91.8	71%	0.708	45%	0.448	S	S	*	.	H	α-helix	trans	-58.9	-35.5	173	-62	171.7	0	0	0	111	F60 I61	I57-F60 WeakPolarHBondContact O-CB 3.29Å; I57-F60 PolarHBondContact O-N 2.83Å; I57-I61 HydrophobicContact CG2-CD1 4.23Å; I57-I61 WeakPolarHBondContact O-CG1 3.35Å; I57-I61 PolarHBondContact O-N 3.24Å
58	W	87.8	Confident	87.1	Confident	172 Å²	172	91.6 Å²	91.6	65%	0.652	45%	0.448	S	S	*	.	H	α-helix	trans	-70	-40.4	179.6	-165.3	75.9	0	0	0	112.1	S56 F60 I61 K62	S56-W58 PolarHBondContact O-N 2.9Å; S56-W58 PolarHBondContact OG-N 2.86Å; W58-F60 VanDerWaalsContact C-N 3.31Å; W58-I61 PolarHBondContact O-N 3.37Å; W58-K62 HydrophobicContact CZ3-CD 4.47Å; W58-K62 WeakPolarHBondContact O-CB 3.13Å; W58-K62 PolarHBondContact O-N 2.88Å
59	E	88.1	Confident	87.3	Confident	36 Å²	36	85.8 Å²	85.8	17%	0.168	42%	0.424	C	S	.	.	H	α-helix	trans	-69.8	-30.2	173.6	-72.2	-66.6	160.1	0	0	111.7	K52 S56 K62 S63	K52-E59 HydrophobicContact CB-CG 4.48Å; K52-E59 WeakPolarHBondContact O-CB 3.49Å; S56-E59 PolarHBondContact O-N 3.19Å; E59-K62 PolarHBondContact O-N 3.34Å; E59-K62 IonicContact OE1-NZ 2.6Å; E59-K62 IonicContact OE2-NZ 2.65Å; E59-S63 WeakPolarHBondContact O-CB 3.35Å; E59-S63 PolarHBondContact O-N 3.33Å
60	F	87.1	Confident	87.5	Confident	112 Å²	112	84.2 Å²	84.2	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-47.9	169.1	-178.5	-100.3	0	0	0	112.1	S56 I57 W58 K62 S63 L64	S56-F60 PolarHBondContact O-N 3.24Å; I57-F60 WeakPolarHBondContact O-CB 3.29Å; I57-F60 PolarHBondContact O-N 2.83Å; W58-F60 VanDerWaalsContact C-N 3.31Å; F60-K62 VanDerWaalsContact C-N 3.31Å; F60-K62 PolarHBondContact O-N 3.12Å; F60-S63 WeakPolarHBondContact O-CB 3.29Å; F60-S63 PolarHBondContact O-N 2.9Å; F60-L64 HydrophobicContact CD1-CD1 4.39Å; F60-L64 HydrophobicContact CE1-CD1 3.64Å; F60-L64 HydrophobicContact CZ-CD1 3.85Å; F60-L64 PolarHBondContact O-N 3.3Å
61	I	88.1	Confident	87.9	Confident	86 Å²	86	86.6 Å²	86.6	44%	0.441	42%	0.418	S	S	.	.	H	α-helix	trans	-59.1	-43.4	175.5	-69.6	167.2	0	0	0	110.7	I57 W58 S63 L64 L65	I57-I61 HydrophobicContact CG2-CD1 4.23Å; I57-I61 WeakPolarHBondContact O-CG1 3.35Å; I57-I61 PolarHBondContact O-N 3.24Å; W58-I61 PolarHBondContact O-N 3.37Å; I61-S63 VanDerWaalsContact C-N 3.35Å; I61-S63 PolarHBondContact O-N 2.98Å; I61-L64 WeakPolarHBondContact O-CB 3.27Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.17Å; I61-L65 HydrophobicContact CG2-CD1 4.07Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CG 3.21Å; I61-L65 PolarHBondContact O-N 2.96Å
62	K	86	Confident	88.3	Confident	104 Å²	104	86.3 Å²	86.3	45%	0.452	41%	0.414	S	S	.	.	H	α-helix	trans	-63.5	-38.7	177.8	-172.4	176.9	175.1	-174.3	0	112.8	W58 E59 F60 L64 L65 D66	W58-K62 HydrophobicContact CZ3-CD 4.47Å; W58-K62 WeakPolarHBondContact O-CB 3.13Å; W58-K62 PolarHBondContact O-N 2.88Å; E59-K62 PolarHBondContact O-N 3.34Å; E59-K62 IonicContact OE1-NZ 2.6Å; E59-K62 IonicContact OE2-NZ 2.65Å; F60-K62 VanDerWaalsContact C-N 3.31Å; F60-K62 PolarHBondContact O-N 3.12Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L65 PolarHBondContact O-N 2.92Å; K62-D66 PolarHBondContact O-N 3.26Å
63	S	86.8	Confident	88.7	Confident	26 Å²	26	81.2 Å²	81.2	18%	0.182	39%	0.391	C	S	.	.	H	α-helix	trans	-61.9	-42.6	172.3	-177.2	0	0	0	0	111.5	E59 F60 I61 D66 A67	E59-S63 WeakPolarHBondContact O-CB 3.35Å; E59-S63 PolarHBondContact O-N 3.33Å; F60-S63 WeakPolarHBondContact O-CB 3.29Å; F60-S63 PolarHBondContact O-N 2.9Å; I61-S63 VanDerWaalsContact C-N 3.35Å; I61-S63 PolarHBondContact O-N 2.98Å; S63-D66 PolarHBondContact O-N 3.05Å; S63-A67 PolarHBondContact O-N 3.38Å
64	L	86.8	Confident	89.3	Confident	81 Å²	81	80.2 Å²	80.2	42%	0.424	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-41.8	177.9	-137.6	144.3	0	0	0	111.7	F60 I61 K62 A67 W68	F60-L64 HydrophobicContact CD1-CD1 4.39Å; F60-L64 HydrophobicContact CE1-CD1 3.64Å; F60-L64 HydrophobicContact CZ-CD1 3.85Å; F60-L64 PolarHBondContact O-N 3.3Å; I61-L64 WeakPolarHBondContact O-CB 3.27Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-L64 VanDerWaalsContact O-N 3.17Å; K62-L64 VanDerWaalsContact C-N 3.34Å; L64-A67 WeakPolarHBondContact O-CB 3.42Å; L64-A67 PolarHBondContact O-N 3.03Å; L64-W68 WeakPolarHBondContact O-CB 3.44Å; L64-W68 PolarHBondContact O-N 2.88Å
65	L	85.6	Confident	89.8	Confident	116 Å²	116	74.8 Å²	74.8	61%	0.607	36%	0.364	S	S	*	.	H	α-helix	trans	-62.8	-40.6	172.2	-72.8	171.7	0	0	0	112.3	I61 K62 A67 W68 S69	I61-L65 HydrophobicContact CG2-CD1 4.07Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CG 3.21Å; I61-L65 PolarHBondContact O-N 2.96Å; K62-L65 PolarHBondContact O-N 2.92Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.81Å; L65-W68 PolarHBondContact O-N 3.2Å; L65-S69 WeakPolarHBondContact O-CB 3.48Å; L65-S69 PolarHBondContact O-N 2.77Å
66	D	86.8	Confident	90.3	Very high	25 Å²	25	70.4 Å²	70.4	13%	0.134	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-37.5	174.9	-169.5	87.3	0	0	0	111.3	R45 K62 S63 S69 K244	R45-D66 IonicContact CZ-OD1 3.02Å; R45-D66 IonicContact CZ-OD2 2.74Å; R45-D66 IonicContact NH1-OD1 3.99Å; R45-D66 PolarHBondContact NH1-OD1 2.97Å; R45-D66 IonicContact NH1-OD2 3.19Å; R45-D66 IonicContact NH2-OD1 3.93Å; R45-D66 PolarHBondContact NH2-OD1 2.82Å; R45-D66 IonicContact NH2-OD2 2.62Å; R45-D66 PolarHBondContact NH2-OD2 3.39Å; K62-D66 PolarHBondContact O-N 3.26Å; S63-D66 PolarHBondContact O-N 3.05Å; D66-S69 PolarHBondContact O-OG 3.42Å; D66-K244 PolarHBondContact O-NZ 3.24Å; D66-K244 IonicContact OD1-NZ 3.84Å; D66-K244 IonicContact OD2-NZ 3.94Å; D66-K244 PolarHBondContact OD2-NZ 3.49Å
67	A	86.1	Confident	90.6	Very high	54 Å²	54	67.6 Å²	67.6	45%	0.446	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-44	174.9	0	0	0	0	0	112.1	S63 L64 L65	S63-A67 PolarHBondContact O-N 3.38Å; L64-A67 WeakPolarHBondContact O-CB 3.42Å; L64-A67 PolarHBondContact O-N 3.03Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 2.81Å
68	W	89.9	Confident	91	Very high	166 Å²	166	61 Å²	61	63%	0.629	29%	0.292	S	S	*	.	H	α-helix	trans	-74.4	-26.5	179.6	-88	56.7	0	0	0	114.2	L64 L65 G70 W71 V72	L64-W68 WeakPolarHBondContact O-CB 3.44Å; L64-W68 PolarHBondContact O-N 2.88Å; L65-W68 PolarHBondContact O-N 3.2Å; W68-G70 PolarHBondContact O-N 3.36Å; W68-W71 PolarHBondContact O-N 3.24Å; W68-V72 PolarHBondContact O-N 2.79Å
69	S	90.5	Very high	91.4	Very high	11 Å²	11	56.4 Å²	56.4	8%	0.077	28%	0.28	C	S	.	.	H	α-helix	trans	-50.6	-34	-176	65.1	0	0	0	0	113.9	L65 D66 V73 K244	L65-S69 WeakPolarHBondContact O-CB 3.48Å; L65-S69 PolarHBondContact O-N 2.77Å; D66-S69 PolarHBondContact O-OG 3.42Å; S69-V73 WeakPolarHBondContact O-CB 3.45Å; S69-V73 WeakPolarHBondContact O-CG2 3.32Å; S69-V73 PolarHBondContact O-N 3.47Å; S69-K244 WeakPolarHBondContact OG-CD 3.4Å
70	G	90.7	Very high	91.8	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-43.1	176.6	0	0	0	0	0	113.6	W68 V73 M74 Y245	W68-G70 PolarHBondContact O-N 3.36Å; G70-V73 PolarHBondContact O-N 3Å; G70-M74 VanDerWaalsContact O-CG 3.31Å; G70-M74 WeakPolarHBondContact O-CG 3.27Å; G70-M74 PolarHBondContact O-N 3.12Å; G70-Y245 WeakPolarHBondContact CA-OH 3.28Å; G70-Y245 PolarHBondContact N-OH 3.47Å
71	W	94.3	Very high	92.3	Very high	107 Å²	107	51.9 Å²	51.9	41%	0.405	26%	0.262	S	S	.	.	H	α-helix	trans	-69.8	-39	178.9	-65.3	99.1	0	0	0	111.8	W68 V73 M74 L75 F296	W68-W71 PolarHBondContact O-N 3.24Å; W71-V73 PolarHBondContact O-N 2.81Å; W71-M74 PolarHBondContact O-N 3.27Å; W71-L75 WeakPolarHBondContact O-CB 2.92Å; W71-L75 PolarHBondContact O-N 3.46Å; W71-F296 HydrophobicContact CE3-CB 4.12Å; W71-F296 AromaticContact CE3-CD1 3.68Å; W71-F296 HydrophobicContact CE3-CD1 3.68Å; W71-F296 HydrophobicContact CE3-CD2 4.31Å; W71-F296 HydrophobicContact CE3-CE1 4.13Å; W71-F296 AromaticContact CE3-CG 3.76Å; W71-F296 HydrophobicContact CE3-CG 3.76Å; W71-F296 HydrophobicContact CZ3-CB 3.62Å; W71-F296 HydrophobicContact CZ3-CD1 4.07Å; W71-F296 HydrophobicContact CZ3-CD2 4.13Å; W71-F296 AromaticContact CZ3-CG 3.67Å; W71-F296 HydrophobicContact CZ3-CG 3.67Å
72	V	94.9	Very high	92.6	Very high	58 Å²	58	47.8 Å²	47.8	35%	0.352	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-44.3	174.8	177.8	0	0	0	0	110.9	W68 M74 L75 L76 F242	W68-V72 PolarHBondContact O-N 2.79Å; V72-M74 PolarHBondContact O-N 2.84Å; V72-L75 WeakPolarHBondContact O-CB 3.45Å; V72-L75 PolarHBondContact O-N 3.22Å; V72-L76 HydrophobicContact CG1-CD1 4.22Å; V72-L76 WeakPolarHBondContact O-CG 3.37Å; V72-L76 PolarHBondContact O-N 3.37Å; V72-F242 HydrophobicContact CG1-CZ 4.37Å
73	V	95.6	Very high	93.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-44.6	175.3	169.9	0	0	0	0	111.1	S69 G70 W71 L75 L76 I77 F238 F242 Y245 V255	S69-V73 WeakPolarHBondContact O-CB 3.45Å; S69-V73 WeakPolarHBondContact O-CG2 3.32Å; S69-V73 PolarHBondContact O-N 3.47Å; G70-V73 PolarHBondContact O-N 3Å; W71-V73 PolarHBondContact O-N 2.81Å; V73-L75 PolarHBondContact O-N 2.89Å; V73-L76 PolarHBondContact O-N 3.47Å; V73-I77 HydrophobicContact CG1-CD1 3.61Å; V73-I77 HydrophobicContact CG1-CG1 4.38Å; V73-I77 WeakPolarHBondContact O-CD1 3.33Å; V73-I77 WeakPolarHBondContact O-CG1 3.43Å; V73-I77 PolarHBondContact O-N 3.16Å; V73-F238 HydrophobicContact CG1-CB 4.43Å; V73-F242 HydrophobicContact CG2-CD1 4.49Å; V73-F242 HydrophobicContact CG2-CD2 3.32Å; V73-F242 HydrophobicContact CG2-CE2 3.4Å; V73-F242 HydrophobicContact CG2-CG 3.92Å; V73-F242 HydrophobicContact CG2-CZ 4.03Å; V73-Y245 HydrophobicContact CG2-CD2 4.2Å; V73-Y245 HydrophobicContact CG2-CE2 3.96Å; V73-V255 HydrophobicContact CG1-CG1 3.82Å; V73-V255 HydrophobicContact CG1-CG2 4.42Å
74	M	96.4	Very high	93.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-41	177	-66.8	-46.5	135.8	0	0	112.9	G70 W71 V72 I77 G78 V255 A258 R293 F296 A297	G70-M74 VanDerWaalsContact O-CG 3.31Å; G70-M74 WeakPolarHBondContact O-CG 3.27Å; G70-M74 PolarHBondContact O-N 3.12Å; W71-M74 PolarHBondContact O-N 3.27Å; V72-M74 PolarHBondContact O-N 2.84Å; M74-I77 PolarHBondContact O-N 3.08Å; M74-G78 PolarHBondContact O-N 3.27Å; M74-V255 HydrophobicContact CE-CB 4.14Å; M74-V255 HydrophobicContact CE-CG1 3.97Å; M74-V255 HydrophobicContact CE-CG2 3.82Å; M74-A258 HydrophobicContact CE-CB 4.04Å; M74-A258 HydrophobicContact SD-CB 3.42Å; M74-A258 WeakPolarHBondContact SD-CB 3.3Å; M74-R293 HydrophobicContact CE-CB 4.44Å; M74-R293 HydrophobicContact CG-CB 3.88Å; M74-R293 HydrophobicContact CG-CG 4.32Å; M74-R293 HydrophobicContact SD-CB 4.31Å; M74-F296 HydrophobicContact CB-CD1 3.87Å; M74-F296 HydrophobicContact CB-CE1 4.37Å; M74-A297 HydrophobicContact CB-CB 4.01Å; M74-A297 HydrophobicContact CG-CB 4.37Å; M74-A297 HydrophobicContact SD-CB 4.08Å
75	L	97.1	Very high	93.9	Very high	69 Å²	69	42.4 Å²	42.4	36%	0.361	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-49.9	176.2	-178.7	73.1	0	0	0	110.8	W71 V72 V73 I77 G78 L79 F296 V300	W71-L75 WeakPolarHBondContact O-CB 2.92Å; W71-L75 PolarHBondContact O-N 3.46Å; V72-L75 WeakPolarHBondContact O-CB 3.45Å; V72-L75 PolarHBondContact O-N 3.22Å; V73-L75 PolarHBondContact O-N 2.89Å; L75-I77 VanDerWaalsContact C-N 3.35Å; L75-I77 PolarHBondContact O-N 2.96Å; L75-G78 PolarHBondContact O-N 3.28Å; L75-L79 HydrophobicContact CD1-CD1 4.49Å; L75-L79 HydrophobicContact CG-CD1 4.13Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 2.93Å; L75-F296 HydrophobicContact CB-CE1 4.12Å; L75-F296 HydrophobicContact CD1-CE1 4.48Å; L75-F296 HydrophobicContact CD1-CZ 4.22Å; L75-V300 HydrophobicContact CD1-CG1 4Å; L75-V300 HydrophobicContact CD1-CG2 3.95Å
76	L	97.3	Very high	94.2	Very high	58 Å²	58	36.9 Å²	36.9	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-39.6	-179.8	-68.5	174.3	0	0	0	112.4	V72 V73 L80 F238	V72-L76 HydrophobicContact CG1-CD1 4.22Å; V72-L76 WeakPolarHBondContact O-CG 3.37Å; V72-L76 PolarHBondContact O-N 3.37Å; V73-L76 PolarHBondContact O-N 3.47Å; L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 PolarHBondContact O-N 2.79Å; L76-F238 HydrophobicContact CB-CD1 3.94Å; L76-F238 HydrophobicContact CB-CD2 4.13Å; L76-F238 HydrophobicContact CB-CE1 3.81Å; L76-F238 HydrophobicContact CB-CE2 3.97Å; L76-F238 HydrophobicContact CB-CG 4.12Å; L76-F238 HydrophobicContact CB-CZ 3.83Å; L76-F238 HydrophobicContact CD1-CD1 3.9Å; L76-F238 HydrophobicContact CD1-CE1 3.99Å; L76-F238 HydrophobicContact CG-CE1 4.34Å; L76-F238 WeakPolarHBondContact O-CE2 3.43Å
77	I	97	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-47.1	175.1	-68.7	165.6	0	0	0	110.4	V73 M74 L75 L80 A81 F238 V255 A259	V73-I77 HydrophobicContact CG1-CD1 3.61Å; V73-I77 HydrophobicContact CG1-CG1 4.38Å; V73-I77 WeakPolarHBondContact O-CD1 3.33Å; V73-I77 WeakPolarHBondContact O-CG1 3.43Å; V73-I77 PolarHBondContact O-N 3.16Å; M74-I77 PolarHBondContact O-N 3.08Å; L75-I77 VanDerWaalsContact C-N 3.35Å; L75-I77 PolarHBondContact O-N 2.96Å; I77-L80 PolarHBondContact O-N 3.35Å; I77-A81 WeakPolarHBondContact O-CB 3.19Å; I77-A81 PolarHBondContact O-N 3.23Å; I77-F238 HydrophobicContact CG1-CB 4.3Å; I77-F238 HydrophobicContact CG1-CD2 3.78Å; I77-F238 HydrophobicContact CG1-CG 4.43Å; I77-V255 HydrophobicContact CD1-CG1 3.33Å; I77-A259 HydrophobicContact CG2-CB 3.91Å
78	G	97.1	Very high	94.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-47.4	179.7	0	0	0	0	0	112.3	M74 L75 L80 A81 G82 A301	M74-G78 PolarHBondContact O-N 3.27Å; L75-G78 PolarHBondContact O-N 3.28Å; G78-L80 PolarHBondContact O-N 2.83Å; G78-A81 PolarHBondContact O-N 3.12Å; G78-G82 PolarHBondContact O-N 3.19Å; G78-A301 WeakPolarHBondContact O-CA 3.39Å
79	L	97.6	Very high	94.9	Very high	75 Å²	75	30 Å²	30	39%	0.393	16%	0.16	S	C	.	.	H	α-helix	trans	-59.7	-48.2	177.3	-69.4	171.6	0	0	0	111.6	L75 T83 V300	L75-L79 HydrophobicContact CD1-CD1 4.49Å; L75-L79 HydrophobicContact CG-CD1 4.13Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 2.93Å; L79-T83 WeakPolarHBondContact O-CB 3.22Å; L79-T83 WeakPolarHBondContact O-CG2 3.46Å; L79-T83 PolarHBondContact O-N 3.5Å; L79-T83 PolarHBondContact O-OG1 2.88Å; L79-V300 HydrophobicContact CD2-CG1 4.12Å; L79-V300 HydrophobicContact CG-CG1 4Å
80	L	96.8	Very high	94.9	Very high	49 Å²	49	32.6 Å²	32.6	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-70	-41	-178.5	-175.2	61.1	0	0	0	112.3	L76 I77 G78 T83 L84 C234 F238	L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 PolarHBondContact O-N 2.79Å; I77-L80 PolarHBondContact O-N 3.35Å; G78-L80 PolarHBondContact O-N 2.83Å; L80-T83 WeakPolarHBondContact CA-OG1 3.4Å; L80-T83 PolarHBondContact O-OG1 2.97Å; L80-L84 HydrophobicContact CD1-CD1 4.17Å; L80-L84 HydrophobicContact CD1-CG 4.18Å; L80-L84 HydrophobicContact CG-CD1 4.05Å; L80-L84 HydrophobicContact CG-CG 4.46Å; L80-L84 WeakPolarHBondContact O-CB 3.43Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 2.7Å; L80-C234 HydrophobicContact CD2-CB 3.97Å; L80-C234 HydrophobicContact CG-CB 4.41Å; L80-F238 HydrophobicContact CB-CE2 3.84Å; L80-F238 HydrophobicContact CB-CZ 4.27Å; L80-F238 HydrophobicContact CD2-CE2 3.52Å; L80-F238 HydrophobicContact CD2-CZ 3.89Å; L80-F238 HydrophobicContact CG-CE2 4.33Å
81	A	96.4	Very high	95	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.033	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-43.7	177.5	0	0	0	0	0	111.7	I77 G78 L84 A85 A231	I77-A81 WeakPolarHBondContact O-CB 3.19Å; I77-A81 PolarHBondContact O-N 3.23Å; G78-A81 PolarHBondContact O-N 3.12Å; A81-L84 PolarHBondContact O-N 2.76Å; A81-A85 WeakPolarHBondContact O-CB 3.39Å; A81-A85 PolarHBondContact O-N 3.01Å; A81-A231 HydrophobicContact CB-CB 4.17Å
82	G	95.7	Very high	94.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-42.8	177.3	0	0	0	0	0	113.3	G78 A85 G86	G78-G82 PolarHBondContact O-N 3.19Å; G82-A85 PolarHBondContact O-N 2.68Å; G82-G86 PolarHBondContact O-N 3.27Å
83	T	95.6	Very high	94.5	Very high	57 Å²	57	27.7 Å²	27.7	35%	0.35	16%	0.156	S	C	.	.	H	α-helix	trans	-64.2	-45.1	175	47.6	0	0	0	0	112.8	L79 L80 G86 V87 T304 I308	L79-T83 WeakPolarHBondContact O-CB 3.22Å; L79-T83 WeakPolarHBondContact O-CG2 3.46Å; L79-T83 PolarHBondContact O-N 3.5Å; L79-T83 PolarHBondContact O-OG1 2.88Å; L80-T83 WeakPolarHBondContact CA-OG1 3.4Å; L80-T83 PolarHBondContact O-OG1 2.97Å; T83-G86 PolarHBondContact O-N 3.46Å; T83-V87 WeakPolarHBondContact O-CG2 3.29Å; T83-V87 PolarHBondContact O-N 3.01Å; T83-T304 HydrophobicContact CG2-CG2 3.77Å; T83-I308 HydrophobicContact CG2-CD1 4.13Å
84	L	96	Very high	94.2	Very high	40 Å²	40	31.1 Å²	31.1	21%	0.209	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-40.9	176.6	-72.8	174.9	0	0	0	112.2	L80 A81 V87 I88 L204 V230 C234	L80-L84 HydrophobicContact CD1-CD1 4.17Å; L80-L84 HydrophobicContact CD1-CG 4.18Å; L80-L84 HydrophobicContact CG-CD1 4.05Å; L80-L84 HydrophobicContact CG-CG 4.46Å; L80-L84 WeakPolarHBondContact O-CB 3.43Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 2.7Å; A81-L84 PolarHBondContact O-N 2.76Å; L84-V87 PolarHBondContact O-N 2.97Å; L84-I88 WeakPolarHBondContact O-CD1 3.17Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 2.86Å; L84-L204 HydrophobicContact CD1-CD1 4.16Å; L84-V230 HydrophobicContact CD1-CG1 4.09Å; L84-C234 VanDerWaalsContact CD1-SG 3.58Å
85	A	94.6	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-48.4	175.9	0	0	0	0	0	111.5	A81 G82 V87 I88 D89 L227 V266 L305	A81-A85 WeakPolarHBondContact O-CB 3.39Å; A81-A85 PolarHBondContact O-N 3.01Å; G82-A85 PolarHBondContact O-N 2.68Å; A85-V87 VanDerWaalsContact C-N 3.31Å; A85-V87 PolarHBondContact O-N 3.39Å; A85-I88 WeakPolarHBondContact O-CB 3.15Å; A85-I88 PolarHBondContact O-N 3.46Å; A85-D89 VanDerWaalsContact O-CG 3.29Å; A85-D89 PolarHBondContact O-N 3.38Å; A85-L227 HydrophobicContact CB-CD2 4.23Å; A85-V266 HydrophobicContact CB-CB 3.7Å; A85-V266 HydrophobicContact CB-CG1 4.45Å; A85-V266 HydrophobicContact CB-CG2 3.64Å; A85-L305 HydrophobicContact CB-CD1 4.38Å
86	G	92.4	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-38.6	177.8	0	0	0	0	0	113.2	G82 T83 D89 L90	G82-G86 PolarHBondContact O-N 3.27Å; T83-G86 PolarHBondContact O-N 3.46Å; G86-D89 PolarHBondContact O-N 3.16Å; G86-L90 WeakPolarHBondContact O-CD1 3.16Å; G86-L90 WeakPolarHBondContact O-CG 3.46Å; G86-L90 PolarHBondContact O-N 3.01Å; G86-L90 VanDerWaalsContact O-N 3.11Å
87	V	93.5	Very high	93.3	Very high	92 Å²	92	28 Å²	28	56%	0.558	15%	0.153	S	C	*	.	H	α-helix	trans	-66.6	-40.1	174	171.4	0	0	0	0	111.7	T83 L84 A85 D89 A91	T83-V87 WeakPolarHBondContact O-CG2 3.29Å; T83-V87 PolarHBondContact O-N 3.01Å; L84-V87 PolarHBondContact O-N 2.97Å; A85-V87 VanDerWaalsContact C-N 3.31Å; A85-V87 PolarHBondContact O-N 3.39Å; V87-D89 VanDerWaalsContact C-N 3.34Å; V87-A91 WeakPolarHBondContact O-CB 3.01Å; V87-A91 PolarHBondContact O-N 3.46Å
88	I	94.1	Very high	93	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-43.2	176.4	-71.4	161.4	0	0	0	110.2	L84 A85 A91 V92 T208 L211 V212 K223 L227	L84-I88 WeakPolarHBondContact O-CD1 3.17Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 2.86Å; A85-I88 WeakPolarHBondContact O-CB 3.15Å; A85-I88 PolarHBondContact O-N 3.46Å; I88-A91 PolarHBondContact O-N 3.17Å; I88-V92 HydrophobicContact CG2-CG2 4.13Å; I88-V92 VanDerWaalsContact O-CB 3.31Å; I88-V92 WeakPolarHBondContact O-CB 3.4Å; I88-V92 WeakPolarHBondContact O-CG2 3.16Å; I88-V92 PolarHBondContact O-N 3.35Å; I88-T208 HydrophobicContact CD1-CG2 4.23Å; I88-L211 HydrophobicContact CD1-CD2 4.36Å; I88-L211 HydrophobicContact CG2-CD2 4.28Å; I88-V212 HydrophobicContact CB-CG2 4.47Å; I88-V212 HydrophobicContact CG1-CG2 4.34Å; I88-V212 HydrophobicContact CG2-CG2 4.23Å; I88-K223 HydrophobicContact CG2-CD 4.21Å; I88-L227 HydrophobicContact CD1-CD2 3.63Å
89	D	90.2	Very high	92.7	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.032	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-54.9	-179.4	-65.8	-16	0	0	0	111.3	A85 G86 V87 A91 V92 D93 K223 P310	A85-D89 VanDerWaalsContact O-CG 3.29Å; A85-D89 PolarHBondContact O-N 3.38Å; G86-D89 PolarHBondContact O-N 3.16Å; V87-D89 VanDerWaalsContact C-N 3.34Å; D89-A91 VanDerWaalsContact C-N 3.28Å; D89-A91 PolarHBondContact O-N 3.39Å; D89-V92 PolarHBondContact O-N 2.96Å; D89-V92 VanDerWaalsContact O-N 3.14Å; D89-D93 VanDerWaalsContact O-CG 3.31Å; D89-D93 PolarHBondContact O-N 2.94Å; D89-K223 WeakPolarHBondContact OD1-CD 3.3Å; D89-K223 WeakPolarHBondContact OD1-CE 3.3Å; D89-K223 IonicContact OD1-NZ 3.9Å; D89-K223 PolarHBondContact OD1-NZ 2.96Å; D89-P310 HydrophobicContact CB-CB 4.06Å; D89-P310 HydrophobicContact CB-CG 4.43Å
90	L	89.2	Confident	92.1	Very high	64 Å²	64	28.3 Å²	28.3	34%	0.335	15%	0.152	S	C	.	.	H	α-helix	trans	-56	-42.3	177.3	-72.5	163.2	0	0	0	112.5	G86 W94 I308 P310	G86-L90 WeakPolarHBondContact O-CD1 3.16Å; G86-L90 WeakPolarHBondContact O-CG 3.46Å; G86-L90 PolarHBondContact O-N 3.01Å; G86-L90 VanDerWaalsContact O-N 3.11Å; L90-W94 WeakPolarHBondContact O-CB 3.36Å; L90-W94 PolarHBondContact O-N 2.98Å; L90-I308 HydrophobicContact CD1-CG2 4.07Å; L90-P310 HydrophobicContact CD2-CB 4.22Å; L90-P310 HydrophobicContact CG-CB 3.99Å
91	A	92.8	Very high	91.7	Very high	25 Å²	25	26 Å²	26	21%	0.207	14%	0.14	C	C	.	.	H	α-helix	trans	-71.8	-36.9	-179.7	0	0	0	0	0	112.4	V87 I88 D89 M95 V212	V87-A91 WeakPolarHBondContact O-CB 3.01Å; V87-A91 PolarHBondContact O-N 3.46Å; I88-A91 PolarHBondContact O-N 3.17Å; D89-A91 VanDerWaalsContact C-N 3.28Å; D89-A91 PolarHBondContact O-N 3.39Å; A91-M95 VanDerWaalsContact O-CB 3.23Å; A91-M95 WeakPolarHBondContact O-CB 3.48Å; A91-M95 VanDerWaalsContact O-CG 3.25Å; A91-M95 WeakPolarHBondContact O-CG 3.48Å; A91-M95 PolarHBondContact O-N 2.9Å; A91-V212 HydrophobicContact CB-CG1 3.76Å; A91-V212 HydrophobicContact CB-CG2 4.03Å
92	V	91.9	Very high	91.4	Very high	4 Å²	4	27 Å²	27	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-46.3	177.9	163	0	0	0	0	110.5	I88 D89 M95 T96 V212 V215 S216	I88-V92 HydrophobicContact CG2-CG2 4.13Å; I88-V92 VanDerWaalsContact O-CB 3.31Å; I88-V92 WeakPolarHBondContact O-CB 3.4Å; I88-V92 WeakPolarHBondContact O-CG2 3.16Å; I88-V92 PolarHBondContact O-N 3.35Å; D89-V92 PolarHBondContact O-N 2.96Å; D89-V92 VanDerWaalsContact O-N 3.14Å; V92-M95 PolarHBondContact O-N 2.98Å; V92-T96 VanDerWaalsContact O-CB 3.26Å; V92-T96 WeakPolarHBondContact O-CB 3.1Å; V92-T96 PolarHBondContact O-N 3.49Å; V92-T96 PolarHBondContact O-OG1 3.47Å; V92-V212 HydrophobicContact CG2-CB 4.23Å; V92-V212 HydrophobicContact CG2-CG1 4.08Å; V92-V212 HydrophobicContact CG2-CG2 4.25Å; V92-V215 HydrophobicContact CG1-CB 4.21Å; V92-V215 HydrophobicContact CG1-CG1 3.59Å; V92-V215 HydrophobicContact CG2-CB 4.23Å; V92-V215 HydrophobicContact CG2-CG1 4.43Å; V92-S216 PolarHBondContact O-OG 3.27Å
93	D	87.1	Confident	91	Very high	34 Å²	34	27.2 Å²	27.2	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-52.9	-177	-61.8	-15.5	0	0	0	109.5	D89 M95 T96 D97	D89-D93 VanDerWaalsContact O-CG 3.31Å; D89-D93 PolarHBondContact O-N 2.94Å; D93-M95 PolarHBondContact O-N 3.39Å; D93-T96 PolarHBondContact O-N 2.89Å; D93-T96 VanDerWaalsContact O-N 3.14Å; D93-D97 VanDerWaalsContact O-CG 3.31Å; D93-D97 PolarHBondContact O-N 3.35Å; D93-D97 VanDerWaalsContact O-N 3.08Å
94	W	89.2	Confident	90.4	Very high	72 Å²	72	28.9 Å²	28.9	27%	0.273	15%	0.154	S	C	.	.	H	α-helix	trans	-56.1	-47.6	175.9	169	60.4	0	0	0	113.7	L90 T96 D97 L98 F107	L90-W94 WeakPolarHBondContact O-CB 3.36Å; L90-W94 PolarHBondContact O-N 2.98Å; W94-T96 VanDerWaalsContact C-N 3.3Å; W94-T96 PolarHBondContact O-N 3.48Å; W94-D97 PolarHBondContact O-N 3.24Å; W94-L98 HydrophobicContact CD2-CD1 4.34Å; W94-L98 HydrophobicContact CH2-CD1 4.4Å; W94-L98 HydrophobicContact CZ2-CD1 3.8Å; W94-L98 PolarHBondContact O-N 3.21Å; W94-F107 HydrophobicContact CH2-CE1 4.32Å; W94-F107 HydrophobicContact CZ2-CD1 4.03Å; W94-F107 AromaticContact CZ2-CE1 3.51Å; W94-F107 HydrophobicContact CZ2-CE1 3.51Å; W94-F107 HydrophobicContact CZ2-CZ 4.04Å; W94-F107 PolarHBondContact NE1-O 3.29Å
95	M	92	Very high	89.8	Confident	28 Å²	28	30.1 Å²	30.1	14%	0.138	17%	0.165	C	C	.	.	H	α-helix	trans	-71.6	-24.4	-179.4	-72.6	-166.7	69.7	0	0	113.1	A91 V92 D93 F163 V212 L213 S216	A91-M95 VanDerWaalsContact O-CB 3.23Å; A91-M95 WeakPolarHBondContact O-CB 3.48Å; A91-M95 VanDerWaalsContact O-CG 3.25Å; A91-M95 WeakPolarHBondContact O-CG 3.48Å; A91-M95 PolarHBondContact O-N 2.9Å; V92-M95 PolarHBondContact O-N 2.98Å; D93-M95 PolarHBondContact O-N 3.39Å; M95-F163 HydrophobicContact CE-CD1 3.72Å; M95-F163 HydrophobicContact CE-CE1 3.37Å; M95-F163 HydrophobicContact CE-CE2 4.42Å; M95-F163 HydrophobicContact CE-CG 4.39Å; M95-F163 HydrophobicContact CE-CZ 3.76Å; M95-F163 VanDerWaalsContact O-CE2 3.29Å; M95-F163 WeakPolarHBondContact O-CE2 3.36Å; M95-V212 HydrophobicContact CB-CG1 4.48Å; M95-V212 HydrophobicContact CG-CG1 4.27Å; M95-V212 HydrophobicContact SD-CG1 3.5Å; M95-V212 WeakPolarHBondContact SD-CG1 3.33Å; M95-L213 HydrophobicContact CE-CD2 3.48Å; M95-L213 VanDerWaalsContact CE-CD2 3.48Å; M95-L213 HydrophobicContact SD-CD2 4.37Å; M95-S216 WeakPolarHBondContact CB-OG 3.41Å
96	T	90.8	Very high	89.2	Confident	13 Å²	13	30.7 Å²	30.7	8%	0.08	17%	0.17	C	C	.	.	H	α-helix	trans	-72.1	-43	175.1	-59.6	0	0	0	0	110.3	V92 D93 W94 L98 K99 S216	V92-T96 VanDerWaalsContact O-CB 3.26Å; V92-T96 WeakPolarHBondContact O-CB 3.1Å; V92-T96 PolarHBondContact O-N 3.49Å; V92-T96 PolarHBondContact O-OG1 3.47Å; D93-T96 PolarHBondContact O-N 2.89Å; D93-T96 VanDerWaalsContact O-N 3.14Å; W94-T96 VanDerWaalsContact C-N 3.3Å; W94-T96 PolarHBondContact O-N 3.48Å; T96-L98 VanDerWaalsContact C-N 3.28Å; T96-L98 PolarHBondContact O-N 3.13Å; T96-K99 WeakPolarHBondContact O-CB 3.19Å; T96-K99 VanDerWaalsContact O-CE 3.24Å; T96-K99 WeakPolarHBondContact O-CE 3.32Å; T96-K99 PolarHBondContact O-N 2.94Å; T96-S216 WeakPolarHBondContact OG1-CA 3.48Å; T96-S216 PolarHBondContact OG1-OG 3.4Å
97	D	89.6	Confident	88.9	Confident	22 Å²	22	35.7 Å²	35.7	12%	0.118	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-30.1	-179.3	-62.9	-20.7	0	0	0	112.9	D93 W94 K99 E100 G101 S110 H111 W132	D93-D97 VanDerWaalsContact O-CG 3.31Å; D93-D97 PolarHBondContact O-N 3.35Å; D93-D97 VanDerWaalsContact O-N 3.08Å; W94-D97 PolarHBondContact O-N 3.24Å; D97-K99 PolarHBondContact O-N 3.06Å; D97-E100 PolarHBondContact O-N 3.15Å; D97-G101 PolarHBondContact O-N 2.63Å; D97-G101 VanDerWaalsContact O-O 3.12Å; D97-S110 VanDerWaalsContact OD2-CA 3.29Å; D97-S110 WeakPolarHBondContact OD2-CA 3.29Å; D97-S110 VanDerWaalsContact OD2-CB 3.22Å; D97-S110 WeakPolarHBondContact OD2-CB 3.3Å; D97-H111 PolarHBondContact OD2-N 3.03Å; D97-W132 HydrophobicContact CB-CH2 3.56Å; D97-W132 HydrophobicContact CB-CZ2 4.01Å
98	L	90.5	Very high	88.4	Confident	9 Å²	9	39.8 Å²	39.8	5%	0.047	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-22.8	172.9	-105	156.5	0	0	0	113.7	W94 T96 G101 V102 F107 W135 W159 F163	W94-L98 HydrophobicContact CD2-CD1 4.34Å; W94-L98 HydrophobicContact CH2-CD1 4.4Å; W94-L98 HydrophobicContact CZ2-CD1 3.8Å; W94-L98 PolarHBondContact O-N 3.21Å; T96-L98 VanDerWaalsContact C-N 3.28Å; T96-L98 PolarHBondContact O-N 3.13Å; L98-G101 WeakPolarHBondContact CA-O 3.25Å; L98-V102 HydrophobicContact CD2-CG2 4.09Å; L98-F107 HydrophobicContact CD1-CZ 4.46Å; L98-F107 HydrophobicContact CD2-CE2 4.18Å; L98-F107 HydrophobicContact CD2-CZ 4.24Å; L98-W135 HydrophobicContact CD2-CZ2 4.03Å; L98-W135 WeakPolarHBondContact O-CZ2 3.42Å; L98-W135 PolarHBondContact O-NE1 3.36Å; L98-W159 HydrophobicContact CD2-CH2 4.34Å; L98-W159 HydrophobicContact CD2-CZ2 4.15Å; L98-F163 HydrophobicContact CB-CZ 4.49Å
99	K	90.3	Very high	87.8	Confident	7 Å²	7	43.7 Å²	43.7	3%	0.03	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-28	174	-65.3	-178.1	-63.1	-168.1	0	113.2	T96 D97 Y156 W159 A160 F163 S216	T96-K99 WeakPolarHBondContact O-CB 3.19Å; T96-K99 VanDerWaalsContact O-CE 3.24Å; T96-K99 WeakPolarHBondContact O-CE 3.32Å; T96-K99 PolarHBondContact O-N 2.94Å; D97-K99 PolarHBondContact O-N 3.06Å; K99-Y156 HydrophobicContact CB-CD2 3.7Å; K99-Y156 HydrophobicContact CB-CE2 3.98Å; K99-Y156 HydrophobicContact CB-CG 4.5Å; K99-Y156 HydrophobicContact CD-CD2 4.41Å; K99-Y156 HydrophobicContact CD-CE2 4.08Å; K99-W159 HydrophobicContact CG-CB 3.98Å; K99-A160 HydrophobicContact CD-CB 4.48Å; K99-F163 HydrophobicContact CG-CE2 4.26Å; K99-S216 VanDerWaalsContact CD-O 3.28Å; K99-S216 WeakPolarHBondContact CD-O 3.22Å; K99-S216 WeakPolarHBondContact CE-O 3.45Å; K99-S216 PolarHBondContact NZ-O 3.49Å
100	E	86.1	Confident	87.4	Confident	65 Å²	65	43.8 Å²	43.8	30%	0.304	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-38.2	-177	-61	-158	156.1	0	0	112.3	D97 R391	D97-E100 PolarHBondContact O-N 3.15Å; E100-R391 IonicContact OE1-CZ 2.82Å; E100-R391 IonicContact OE1-NE 3.3Å; E100-R391 PolarHBondContact OE1-NE 3.44Å; E100-R391 IonicContact OE1-NH2 3.04Å
101	G	88.6	Confident	87	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-168.6	-177.1	0	0	0	0	0	113.8	D97 L98 W132 Q133	D97-G101 PolarHBondContact O-N 2.63Å; D97-G101 VanDerWaalsContact O-O 3.12Å; L98-G101 WeakPolarHBondContact CA-O 3.25Å; G101-W132 WeakPolarHBondContact O-CH2 3.45Å; G101-W132 WeakPolarHBondContact O-CZ2 3.49Å; G101-Q133 CarbonylContact C-O 3.53Å; G101-Q133 WeakPolarHBondContact CA-O 3.48Å
102	V	89.8	Confident	86.1	Confident	25 Å²	25	48.2 Å²	48.2	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146	179.9	177.7	0	0	0	0	109.7	L98 F107 Q133 W135	L98-V102 HydrophobicContact CD2-CG2 4.09Å; V102-F107 HydrophobicContact CG1-CD2 3.64Å; V102-F107 HydrophobicContact CG1-CE2 4.12Å; V102-F107 HydrophobicContact CG2-CE2 4.37Å; V102-Q133 PolarHBondContact N-O 2.93Å; V102-Q133 PolarHBondContact O-N 3Å; V102-Q133 VanDerWaalsContact O-N 3.07Å; V102-W135 HydrophobicContact CG2-CH2 3.69Å; V102-W135 HydrophobicContact CG2-CZ2 3.69Å; V102-W135 HydrophobicContact CG2-CZ3 4.38Å
103	C	86.9	Confident	85.5	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.5	172.3	-170.2	0	0	0	0	111.3	S105 A106 C114 W132	C103-S105 PolarHBondContact SG-OG 3.02Å; C103-A106 WeakPolarHBondContact CB-O 3.27Å; C103-A106 CarbonylContact O-C 3.48Å; C103-C114 HydrophobicContact CB-CB 3.68Å; C103-C114 WeakPolarHBondContact CB-SG 3.49Å; C103-C114 WeakPolarHBondContact SG-CB 3.18Å; C103-C114 CovalentContact SG-SG 2.03Å; C103-C114 PolarHBondContact SG-SG 2.95Å; C103-W132 HydrophobicContact CB-CE3 3.91Å; C103-W132 HydrophobicContact CB-CZ3 4.01Å
104	L	83.7	Confident	85.1	Confident	93 Å²	93	49.1 Å²	49.1	49%	0.487	23%	0.231	S	C	.	.	S	Bend	trans	-73.3	-30.3	-179.5	-71.1	179.1	0	0	0	113.7	Q131 Q133 L138	L104-Q131 PolarHBondContact N-O 3.35Å; L104-Q133 HydrophobicContact CD1-CG 3.88Å; L104-Q133 HydrophobicContact CG-CG 4.14Å; L104-L138 HydrophobicContact CD2-CD1 4.16Å
105	S	82.4	Confident	84.5	Confident	65 Å²	65	46.7 Å²	46.7	46%	0.455	23%	0.225	S	C	.	.	S	Bend	trans	-70.4	-43.2	-177.2	64.3	0	0	0	0	111.9	C103	C103-S105 PolarHBondContact SG-OG 3.02Å
106	A	83.1	Confident	83.3	Confident	12 Å²	12	51.6 Å²	51.6	10%	0.099	24%	0.242	C	C	.	.			trans	-150.5	128.6	173.2	0	0	0	0	0	111.1	C103 W108 Y109	C103-A106 WeakPolarHBondContact CB-O 3.27Å; C103-A106 CarbonylContact O-C 3.48Å; A106-W108 HydrophobicContact CB-CD2 4.5Å; A106-W108 HydrophobicContact CB-CZ2 4.3Å; A106-W108 PolarHBondContact O-N 3.26Å; A106-Y109 HydrophobicContact CB-CD1 4.33Å; A106-Y109 HydrophobicContact CB-CD2 3.66Å; A106-Y109 HydrophobicContact CB-CE1 4.41Å; A106-Y109 HydrophobicContact CB-CE2 3.75Å; A106-Y109 HydrophobicContact CB-CG 3.96Å; A106-Y109 PolarHBondContact O-N 3.42Å
107	F	85.1	Confident	81.9	Confident	105 Å²	105	54.6 Å²	54.6	46%	0.461	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.7	-176.9	177.5	-110.3	0	0	0	114.1	W94 L98 V102	W94-F107 HydrophobicContact CH2-CE1 4.32Å; W94-F107 HydrophobicContact CZ2-CD1 4.03Å; W94-F107 AromaticContact CZ2-CE1 3.51Å; W94-F107 HydrophobicContact CZ2-CE1 3.51Å; W94-F107 HydrophobicContact CZ2-CZ 4.04Å; W94-F107 PolarHBondContact NE1-O 3.29Å; L98-F107 HydrophobicContact CD1-CZ 4.46Å; L98-F107 HydrophobicContact CD2-CE2 4.18Å; L98-F107 HydrophobicContact CD2-CZ 4.24Å; V102-F107 HydrophobicContact CG1-CD2 3.64Å; V102-F107 HydrophobicContact CG1-CE2 4.12Å; V102-F107 HydrophobicContact CG2-CE2 4.37Å
108	W	83	Confident	80.5	Confident	178 Å²	178	55 Å²	55	67%	0.674	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	4.6	-176.7	45.8	77.7	0	0	0	114.3	A106	A106-W108 HydrophobicContact CB-CD2 4.5Å; A106-W108 HydrophobicContact CB-CZ2 4.3Å; A106-W108 PolarHBondContact O-N 3.26Å
109	Y	82.1	Confident	78.8	Confident	86 Å²	86	62.2 Å²	62.2	34%	0.337	30%	0.304	S	S	.	.			trans	-86	134.9	174.2	-70.1	-15.7	0	0	0	111.4	A106 Q113 T117	A106-Y109 HydrophobicContact CB-CD1 4.33Å; A106-Y109 HydrophobicContact CB-CD2 3.66Å; A106-Y109 HydrophobicContact CB-CE1 4.41Å; A106-Y109 HydrophobicContact CB-CE2 3.75Å; A106-Y109 HydrophobicContact CB-CG 3.96Å; A106-Y109 PolarHBondContact O-N 3.42Å; Y109-Q113 HydrophobicContact CG-CB 4.39Å; Y109-T117 HydrophobicContact CE2-CG2 4.37Å
110	S	82.1	Confident	77.1	Confident	8 Å²	8	67.1 Å²	67.1	6%	0.056	33%	0.327	C	S	.	.			trans	-66.6	165.7	166.3	62.9	0	0	0	0	110.6	D97 E112 Q113 C114	D97-S110 VanDerWaalsContact OD2-CA 3.29Å; D97-S110 WeakPolarHBondContact OD2-CA 3.29Å; D97-S110 VanDerWaalsContact OD2-CB 3.22Å; D97-S110 WeakPolarHBondContact OD2-CB 3.3Å; S110-E112 VanDerWaalsContact C-N 3.35Å; S110-E112 PolarHBondContact O-N 3.37Å; S110-Q113 PolarHBondContact O-N 3.15Å; S110-Q113 VanDerWaalsContact OG-CG 3.26Å; S110-Q113 WeakPolarHBondContact OG-CG 3.32Å; S110-Q113 PolarHBondContact OG-N 2.81Å; S110-C114 VanDerWaalsContact O-CB 3.32Å; S110-C114 WeakPolarHBondContact O-CB 3.41Å; S110-C114 PolarHBondContact O-N 2.93Å
111	H	79.6	Confident	75.3	Confident	77 Å²	77	70.4 Å²	70.4	36%	0.356	35%	0.351	S	S	.	.	H	α-helix	trans	-53.9	-50.7	177.3	176.9	-89.1	0	0	0	111.1	D97 Q113 C114 C115 W132	D97-H111 PolarHBondContact OD2-N 3.03Å; H111-Q113 PolarHBondContact O-N 3.17Å; H111-C114 WeakPolarHBondContact O-CB 2.96Å; H111-C114 PolarHBondContact O-N 3.34Å; H111-C115 PolarHBondContact O-N 2.93Å; H111-C115 PolarHBondContact O-SG 3.31Å; H111-W132 HydrophobicContact CB-CD2 4.33Å; H111-W132 HydrophobicContact CB-CE3 4.19Å; H111-W132 HydrophobicContact CB-CH2 4.16Å; H111-W132 HydrophobicContact CB-CZ2 4.24Å; H111-W132 HydrophobicContact CB-CZ3 4.11Å; H111-W132 AromaticContact CD2-CD1 3.59Å; H111-W132 AromaticContact CD2-CD2 3.52Å; H111-W132 AromaticContact CD2-CE2 3.61Å; H111-W132 AromaticContact CD2-CG 3.53Å; H111-W132 AromaticContact CD2-NE1 3.61Å
112	E	75.2	Confident	73.3	Confident	106 Å²	106	73.9 Å²	73.9	50%	0.495	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-44.6	178.8	-66.7	-169.4	163.4	0	0	112.6	S110 C114 C115 W116	S110-E112 VanDerWaalsContact C-N 3.35Å; S110-E112 PolarHBondContact O-N 3.37Å; E112-C114 VanDerWaalsContact C-N 3.34Å; E112-C114 PolarHBondContact O-N 2.73Å; E112-C115 PolarHBondContact O-N 3.37Å; E112-W116 PolarHBondContact O-N 3.4Å
113	Q	78	Confident	71.4	Confident	57 Å²	57	80.4 Å²	80.4	27%	0.266	40%	0.399	S	S	.	.	H	α-helix	trans	-64.9	-39.3	177.8	-70.5	172.6	-3.3	0	0	111.7	Y109 S110 H111 C115 W116 T117	Y109-Q113 HydrophobicContact CG-CB 4.39Å; S110-Q113 PolarHBondContact O-N 3.15Å; S110-Q113 VanDerWaalsContact OG-CG 3.26Å; S110-Q113 WeakPolarHBondContact OG-CG 3.32Å; S110-Q113 PolarHBondContact OG-N 2.81Å; H111-Q113 PolarHBondContact O-N 3.17Å; Q113-C115 VanDerWaalsContact C-N 3.34Å; Q113-C115 PolarHBondContact O-N 3.16Å; Q113-W116 PolarHBondContact O-N 2.84Å; Q113-T117 WeakPolarHBondContact O-CG2 3.44Å; Q113-T117 PolarHBondContact O-N 3.32Å; Q113-T117 PolarHBondContact O-OG1 2.87Å
114	C	79	Confident	69.5	Low	0 Å²	0	86.5 Å²	86.5	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-59.5	-47.1	176	-166.8	0	0	0	0	110.6	C103 S110 H111 E112 T117 W132	C103-C114 HydrophobicContact CB-CB 3.68Å; C103-C114 WeakPolarHBondContact CB-SG 3.49Å; C103-C114 WeakPolarHBondContact SG-CB 3.18Å; C103-C114 CovalentContact SG-SG 2.03Å; C103-C114 PolarHBondContact SG-SG 2.95Å; S110-C114 VanDerWaalsContact O-CB 3.32Å; S110-C114 WeakPolarHBondContact O-CB 3.41Å; S110-C114 PolarHBondContact O-N 2.93Å; H111-C114 WeakPolarHBondContact O-CB 2.96Å; H111-C114 PolarHBondContact O-N 3.34Å; E112-C114 VanDerWaalsContact C-N 3.34Å; E112-C114 PolarHBondContact O-N 2.73Å; C114-T117 PolarHBondContact O-N 3.2Å; C114-T117 PolarHBondContact O-OG1 3.11Å; C114-W132 HydrophobicContact CB-CE3 4.08Å
115	C	75.7	Confident	67.5	Low	20 Å²	20	85 Å²	85	14%	0.135	42%	0.424	C	S	.	.	H	α-helix	trans	-75.2	-25.6	-177.5	-53.5	0	0	0	0	113.6	H111 E112 Q113 S118 C129	H111-C115 PolarHBondContact O-N 2.93Å; H111-C115 PolarHBondContact O-SG 3.31Å; E112-C115 PolarHBondContact O-N 3.37Å; Q113-C115 VanDerWaalsContact C-N 3.34Å; Q113-C115 PolarHBondContact O-N 3.16Å; C115-S118 PolarHBondContact O-OG 2.81Å; C115-C129 WeakPolarHBondContact CA-SG 3.38Å; C115-C129 HydrophobicContact CB-CB 3.93Å; C115-C129 WeakPolarHBondContact CB-SG 3.18Å; C115-C129 WeakPolarHBondContact SG-CB 3.35Å; C115-C129 CovalentContact SG-SG 2.03Å; C115-C129 PolarHBondContact SG-SG 2.91Å
116	W	68.4	Low	65.8	Low	132 Å²	132	89.4 Å²	89.4	50%	0.5	43%	0.43	S	S	.	.	H	α-helix	trans	-73.3	-27.1	172.1	-80.3	-17.9	0	0	0	114.1	E112 Q113 S118	E112-W116 PolarHBondContact O-N 3.4Å; Q113-W116 PolarHBondContact O-N 2.84Å; W116-S118 VanDerWaalsContact C-N 3.31Å; W116-S118 PolarHBondContact O-N 3Å
117	T	61.3	Low	64.2	Low	76 Å²	76	94.9 Å²	94.9	47%	0.466	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.8	-179.1	57.1	0	0	0	0	114.4	Y109 Q113 C114 N119	Y109-T117 HydrophobicContact CE2-CG2 4.37Å; Q113-T117 WeakPolarHBondContact O-CG2 3.44Å; Q113-T117 PolarHBondContact O-N 3.32Å; Q113-T117 PolarHBondContact O-OG1 2.87Å; C114-T117 PolarHBondContact O-N 3.2Å; C114-T117 PolarHBondContact O-OG1 3.11Å; T117-N119 PolarHBondContact O-N 3.35Å
118	S	58.8	Low	62.8	Low	29 Å²	29	97 Å²	97	20%	0.203	47%	0.467	C	S	.	.			trans	-75.2	124.7	177.8	62	0	0	0	0	111.6	C115 W116 E120	C115-S118 PolarHBondContact O-OG 2.81Å; W116-S118 VanDerWaalsContact C-N 3.31Å; W116-S118 PolarHBondContact O-N 3Å; S118-E120 PolarHBondContact O-N 2.73Å
119	N	56.8	Low	62.1	Low	162 Å²	162	88.9 Å²	88.9	87%	0.866	44%	0.437	S	S	*	.			trans	-73.7	6.8	178.2	-88.5	-15.1	0	0	0	114.7	T117	T117-N119 PolarHBondContact O-N 3.35Å
120	E	54.4	Low	61.5	Low	110 Å²	110	87.9 Å²	87.9	51%	0.514	44%	0.441	S	S	.	.			trans	-86.6	133	-175.6	-61.1	-156.4	166.6	0	0	111.5	S118	S118-E120 PolarHBondContact O-N 2.73Å
121	T	46.7	Very low	61.4	Low	133 Å²	133	91.2 Å²	91.2	82%	0.816	46%	0.456	S	S	*	.			trans	-104	3.6	-165.6	50.9	0	0	0	0	113.8
122	T	48.4	Very low	61.6	Low	75 Å²	75	88.7 Å²	88.7	46%	0.46	44%	0.443	S	S	.	.			trans	-94.6	130.7	179.8	30.6	0	0	0	0	112.2	D124 D125 R126	T122-D124 PolarHBondContact O-N 2.65Å; T122-D125 PolarHBondContact O-N 2.99Å; T122-D125 PolarHBondContact OG1-OD2 2.71Å; T122-R126 PolarHBondContact O-N 3.03Å
123	F	48.4	Very low	62.2	Low	162 Å²	162	86 Å²	86	71%	0.711	43%	0.431	S	S	*	.	H	α-helix	trans	-63.2	-34.3	-174.2	-72.6	-90.4	0	0	0	114	D125 L408	F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 3.39Å; F123-L408 HydrophobicContact CE1-CD2 4.32Å
124	D	46.8	Very low	62.6	Low	131 Å²	131	88 Å²	88	70%	0.701	44%	0.439	S	S	*	.	H	α-helix	trans	-71.7	-21.2	178	-98.2	-32.9	0	0	0	114	T122	T122-D124 PolarHBondContact O-N 2.65Å
125	D	42	Very low	63.1	Low	62 Å²	62	89.7 Å²	89.7	33%	0.332	45%	0.445	S	S	.	.	H	α-helix	trans	-94.9	-17.3	-179.6	-62.5	-49	0	0	0	112.2	T122 F123 K128 C129	T122-D125 PolarHBondContact O-N 2.99Å; T122-D125 PolarHBondContact OG1-OD2 2.71Å; F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 3.39Å; D125-K128 PolarHBondContact O-N 2.97Å; D125-C129 PolarHBondContact O-N 2.94Å; D125-C129 VanDerWaalsContact O-N 3.15Å
126	R	46.4	Very low	63.6	Low	156 Å²	156	88.8 Å²	88.8	59%	0.589	44%	0.439	S	S	*	.	H	α-helix	trans	-67	-38	176.5	-139.8	-176.8	-170.4	-165.7	1.7	112.1	T122 K128	T122-R126 PolarHBondContact O-N 3.03Å; R126-K128 VanDerWaalsContact C-N 3.31Å
127	D	49.4	Very low	64.4	Low	128 Å²	128	84.4 Å²	84.4	68%	0.684	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.5	174.3	-86.9	-0.5	0	0	0	112.9	S410	D127-S410 PolarHBondContact OD2-OG 3.11Å
128	K	55.6	Low	65.5	Low	150 Å²	150	84.8 Å²	84.8	65%	0.652	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.4	-179.4	-70.8	176.6	-173.8	160.4	0	114.1	D125 R126	D125-K128 PolarHBondContact O-N 2.97Å; R126-K128 VanDerWaalsContact C-N 3.31Å
129	C	69.2	Low	66.8	Low	6 Å²	6	88.4 Å²	88.4	4%	0.041	44%	0.439	C	S	.	.			trans	29	72	173	-170.6	0	0	0	0	113.4	C115 D125 Q131 W132	C115-C129 WeakPolarHBondContact CA-SG 3.38Å; C115-C129 HydrophobicContact CB-CB 3.93Å; C115-C129 WeakPolarHBondContact CB-SG 3.18Å; C115-C129 WeakPolarHBondContact SG-CB 3.35Å; C115-C129 CovalentContact SG-SG 2.03Å; C115-C129 PolarHBondContact SG-SG 2.91Å; D125-C129 PolarHBondContact O-N 2.94Å; D125-C129 VanDerWaalsContact O-N 3.15Å; C129-Q131 PolarHBondContact O-N 3.13Å; C129-W132 HydrophobicContact CB-CB 4.38Å; C129-W132 PolarHBondContact O-N 2.63Å
130	P	70	Confident	68.1	Low	65 Å²	65	84.1 Å²	84.1	42%	0.422	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.3	-165.3	24	-35	0	0	0	114.6
131	Q	79.9	Confident	69.4	Low	79 Å²	79	85.8 Å²	85.8	37%	0.369	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-18.6	176.2	-64.7	-62	-56.9	0	0	113.3	L104 C129	L104-Q131 PolarHBondContact N-O 3.35Å; C129-Q131 PolarHBondContact O-N 3.13Å
132	W	84.3	Confident	70.9	Confident	24 Å²	24	83.9 Å²	83.9	9%	0.091	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.1	175.8	-174.5	-97.8	0	0	0	109.7	D97 G101 C103 H111 C114 C129	D97-W132 HydrophobicContact CB-CH2 3.56Å; D97-W132 HydrophobicContact CB-CZ2 4.01Å; G101-W132 WeakPolarHBondContact O-CH2 3.45Å; G101-W132 WeakPolarHBondContact O-CZ2 3.49Å; C103-W132 HydrophobicContact CB-CE3 3.91Å; C103-W132 HydrophobicContact CB-CZ3 4.01Å; H111-W132 HydrophobicContact CB-CD2 4.33Å; H111-W132 HydrophobicContact CB-CE3 4.19Å; H111-W132 HydrophobicContact CB-CH2 4.16Å; H111-W132 HydrophobicContact CB-CZ2 4.24Å; H111-W132 HydrophobicContact CB-CZ3 4.11Å; H111-W132 AromaticContact CD2-CD1 3.59Å; H111-W132 AromaticContact CD2-CD2 3.52Å; H111-W132 AromaticContact CD2-CE2 3.61Å; H111-W132 AromaticContact CD2-CG 3.53Å; H111-W132 AromaticContact CD2-NE1 3.61Å; C114-W132 HydrophobicContact CB-CE3 4.08Å; C129-W132 HydrophobicContact CB-CB 4.38Å; C129-W132 PolarHBondContact O-N 2.63Å
133	Q	86.3	Confident	71.9	Confident	49 Å²	49	83.7 Å²	83.7	23%	0.229	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.5	176	-70.9	-161.7	-18.1	0	0	111.1	G101 V102 L104 E137	G101-Q133 CarbonylContact C-O 3.53Å; G101-Q133 WeakPolarHBondContact CA-O 3.48Å; V102-Q133 PolarHBondContact N-O 2.93Å; V102-Q133 PolarHBondContact O-N 3Å; V102-Q133 VanDerWaalsContact O-N 3.07Å; L104-Q133 HydrophobicContact CD1-CG 3.88Å; L104-Q133 HydrophobicContact CG-CG 4.14Å; Q133-E137 HydrophobicContact CB-CB 4.4Å
134	K	86.8	Confident	73.1	Confident	100 Å²	100	84 Å²	84	44%	0.435	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	156	167.1	-68	171.8	-173.9	157.9	0	109.4	S136 E137 L138	K134-S136 PolarHBondContact O-N 3.2Å; K134-S136 VanDerWaalsContact O-N 3.13Å; K134-E137 PolarHBondContact N-OE2 3.31Å; K134-E137 WeakPolarHBondContact O-CB 3.4Å; K134-E137 PolarHBondContact O-N 2.98Å; K134-L138 PolarHBondContact O-N 3.4Å; K134-L138 VanDerWaalsContact O-N 3.08Å
135	W	88.8	Confident	74.9	Confident	35 Å²	35	80 Å²	80	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-57.9	-32.1	179.9	-70.6	108.4	0	0	0	114.1	L98 V102 L138 L139 N152 L155 W159	L98-W135 HydrophobicContact CD2-CZ2 4.03Å; L98-W135 WeakPolarHBondContact O-CZ2 3.42Å; L98-W135 PolarHBondContact O-NE1 3.36Å; V102-W135 HydrophobicContact CG2-CH2 3.69Å; V102-W135 HydrophobicContact CG2-CZ2 3.69Å; V102-W135 HydrophobicContact CG2-CZ3 4.38Å; W135-L138 HydrophobicContact CE3-CD2 4.05Å; W135-L138 HydrophobicContact CZ3-CD2 3.95Å; W135-L139 WeakPolarHBondContact O-CB 3.22Å; W135-L139 WeakPolarHBondContact O-CG 3.25Å; W135-L139 PolarHBondContact O-N 3.25Å; W135-N152 PolarHBondContact N-OD1 2.87Å; W135-L155 HydrophobicContact CB-CB 4.46Å; W135-L155 HydrophobicContact CB-CD1 3.33Å; W135-L155 HydrophobicContact CD2-CD1 4.3Å; W135-L155 HydrophobicContact CG-CB 4.34Å; W135-L155 HydrophobicContact CG-CD1 3.78Å; W135-W159 AromaticContact CE2-NE1 3.59Å; W135-W159 HydrophobicContact CH2-CZ2 4.18Å; W135-W159 AromaticContact CZ2-CE2 3.89Å; W135-W159 HydrophobicContact CZ2-CZ2 4.03Å; W135-W159 AromaticContact CZ2-NE1 3.31Å; W135-W159 VanDerWaalsContact CZ2-NE1 3.31Å; W135-W159 AromaticContact NE1-NE1 3.84Å
136	S	86.3	Confident	77	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-66.2	-37.6	175	61.7	0	0	0	0	113.6	K134 V140 N141 Q142 N152	K134-S136 PolarHBondContact O-N 3.2Å; K134-S136 VanDerWaalsContact O-N 3.13Å; S136-V140 WeakPolarHBondContact O-CA 3.27Å; S136-V140 WeakPolarHBondContact O-CB 3.47Å; S136-V140 PolarHBondContact O-N 3.14Å; S136-N141 PolarHBondContact O-N 3.16Å; S136-Q142 CarbonylContact C-O 3.6Å; S136-Q142 PolarHBondContact OG-O 3.29Å; S136-N152 WeakPolarHBondContact CB-ND2 3.46Å; S136-N152 WeakPolarHBondContact CB-OD1 3.33Å; S136-N152 PolarHBondContact N-OD1 2.76Å; S136-N152 PolarHBondContact OG-ND2 2.86Å; S136-N152 PolarHBondContact OG-OD1 2.74Å
137	E	85.1	Confident	78.9	Confident	40 Å²	40	76.5 Å²	76.5	19%	0.187	42%	0.417	C	S	.	.	H	α-helix	trans	-70.3	-41.3	178.3	-68.4	162.6	-178.2	0	0	109.8	Q133 K134 N141 S143	Q133-E137 HydrophobicContact CB-CB 4.4Å; K134-E137 PolarHBondContact N-OE2 3.31Å; K134-E137 WeakPolarHBondContact O-CB 3.4Å; K134-E137 PolarHBondContact O-N 2.98Å; E137-N141 WeakPolarHBondContact O-CA 3.43Å; E137-N141 PolarHBondContact O-N 2.85Å; E137-S143 WeakPolarHBondContact OE1-CB 3.31Å
138	L	86	Confident	80.6	Confident	85 Å²	85	70.5 Å²	70.5	45%	0.445	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-40.7	178.1	-168.9	75.4	0	0	0	113	L104 K134 W135	L104-L138 HydrophobicContact CD2-CD1 4.16Å; K134-L138 PolarHBondContact O-N 3.4Å; K134-L138 VanDerWaalsContact O-N 3.08Å; W135-L138 HydrophobicContact CE3-CD2 4.05Å; W135-L138 HydrophobicContact CZ3-CD2 3.95Å
139	L	86.3	Confident	82.2	Confident	105 Å²	105	68.4 Å²	68.4	55%	0.55	37%	0.374	S	S	.	.	H	α-helix	trans	-91.8	-35.5	-172.2	-69.6	171.1	0	0	0	114.1	W135 L151 L155	W135-L139 WeakPolarHBondContact O-CB 3.22Å; W135-L139 WeakPolarHBondContact O-CG 3.25Å; W135-L139 PolarHBondContact O-N 3.25Å; L139-L151 HydrophobicContact CB-CD2 4.07Å; L139-L151 HydrophobicContact CD1-CD1 4.37Å; L139-L151 HydrophobicContact CD1-CD2 4.14Å; L139-L155 HydrophobicContact CD1-CD1 3.62Å
140	V	83.1	Confident	83.3	Confident	72 Å²	72	73.4 Å²	73.4	44%	0.436	40%	0.399	S	S	.	.	H	α-helix	trans	-120.8	-3.9	-171.5	-175.2	0	0	0	0	111.6	S136 Q142 L151	S136-V140 WeakPolarHBondContact O-CA 3.27Å; S136-V140 WeakPolarHBondContact O-CB 3.47Å; S136-V140 PolarHBondContact O-N 3.14Å; V140-Q142 HydrophobicContact CG1-CB 4.34Å; V140-Q142 HydrophobicContact CG1-CG 4.22Å; V140-Q142 PolarHBondContact O-N 3.04Å; V140-Q142 VanDerWaalsContact O-N 3.16Å; V140-L151 HydrophobicContact CG2-CD2 3.54Å
141	N	81.5	Confident	84.3	Confident	145 Å²	145	72.2 Å²	72.2	78%	0.775	39%	0.389	S	S	*	.	S	Bend	trans	54.7	29.6	-178.4	-142.7	17.7	0	0	0	112.9	S136 E137	S136-N141 PolarHBondContact O-N 3.16Å; E137-N141 WeakPolarHBondContact O-CA 3.43Å; E137-N141 PolarHBondContact O-N 2.85Å
142	Q	78.2	Confident	84.8	Confident	92 Å²	92	69.2 Å²	69.2	43%	0.43	38%	0.376	S	S	.	.			trans	-124.8	122.6	176.9	-72.4	-174.3	-18.8	0	0	109.7	S136 V140 S147	S136-Q142 CarbonylContact C-O 3.6Å; S136-Q142 PolarHBondContact OG-O 3.29Å; V140-Q142 HydrophobicContact CG1-CB 4.34Å; V140-Q142 HydrophobicContact CG1-CG 4.22Å; V140-Q142 PolarHBondContact O-N 3.04Å; V140-Q142 VanDerWaalsContact O-N 3.16Å; Q142-S147 PolarHBondContact OE1-OG 2.89Å
143	S	70.1	Confident	85.2	Confident	72 Å²	72	70.7 Å²	70.7	50%	0.503	38%	0.382	S	S	.	.	S	Bend	trans	-85.5	-31.6	177.3	52.6	0	0	0	0	113	E137	E137-S143 WeakPolarHBondContact OE1-CB 3.31Å
144	E	73.4	Confident	85.6	Confident	168 Å²	168	74.7 Å²	74.7	79%	0.785	40%	0.399	S	S	*	.	S	Bend	trans	-129.7	139.5	-173	-64.3	-176.6	179.5	0	0	112.1
145	G	84.4	Confident	85.9	Confident	47 Å²	47	70.8 Å²	70.8	49%	0.485	38%	0.383	S	S	.	.	S	Bend	trans	138.2	166.8	177	0	0	0	0	0	114.1	S147 A148 Y149	G145-S147 VanDerWaalsContact C-N 3.33Å; G145-S147 PolarHBondContact O-N 3.3Å; G145-A148 PolarHBondContact O-N 2.94Å; G145-Y149 PolarHBondContact O-N 3.47Å
146	A	85.4	Confident	86.1	Confident	77 Å²	77	69.4 Å²	69.4	64%	0.636	38%	0.377	S	S	*	.	H	α-helix	trans	-63.6	-37.7	179.3	0	0	0	0	0	112.4	Y149 I150	A146-Y149 PolarHBondContact O-N 3.47Å; A146-I150 WeakPolarHBondContact O-CD1 3.14Å; A146-I150 WeakPolarHBondContact O-CG1 3.47Å; A146-I150 PolarHBondContact O-N 2.98Å
147	S	86.1	Confident	86.5	Confident	67 Å²	67	70.9 Å²	70.9	47%	0.469	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-46.8	175.3	46.9	0	0	0	0	112.1	Q142 G145 I150 L151	Q142-S147 PolarHBondContact OE1-OG 2.89Å; G145-S147 VanDerWaalsContact C-N 3.33Å; G145-S147 PolarHBondContact O-N 3.3Å; S147-I150 PolarHBondContact O-N 3.19Å; S147-L151 WeakPolarHBondContact O-CB 3.41Å; S147-L151 PolarHBondContact O-N 2.99Å
148	A	86.8	Confident	87	Confident	3 Å²	3	72.5 Å²	72.5	3%	0.025	39%	0.393	C	S	.	.	H	α-helix	trans	-62.7	-44.2	178.2	0	0	0	0	0	111.6	G145 L151 N152	G145-A148 PolarHBondContact O-N 2.94Å; A148-L151 PolarHBondContact O-N 3.36Å; A148-N152 WeakPolarHBondContact O-CB 3.39Å; A148-N152 PolarHBondContact O-N 3.25Å; A148-N152 PolarHBondContact O-ND2 3.45Å; A148-N152 VanDerWaalsContact O-ND2 3.12Å
149	Y	88.9	Confident	87.4	Confident	105 Å²	105	71.3 Å²	71.3	41%	0.412	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-47.4	176.3	-176.3	-93.1	0	0	0	112.4	G145 A146 L151 N152 Y153 Y385	G145-Y149 PolarHBondContact O-N 3.47Å; A146-Y149 PolarHBondContact O-N 3.47Å; Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 2.91Å; Y149-N152 PolarHBondContact O-N 3.2Å; Y149-Y153 VanDerWaalsContact O-CB 3.27Å; Y149-Y153 WeakPolarHBondContact O-CB 3.31Å; Y149-Y153 PolarHBondContact O-N 2.62Å; Y149-Y385 HydrophobicContact CD2-CE1 4.23Å; Y149-Y385 HydrophobicContact CE1-CE1 4.15Å; Y149-Y385 HydrophobicContact CE2-CD1 4.37Å; Y149-Y385 AromaticContact CE2-CE1 3.63Å; Y149-Y385 HydrophobicContact CE2-CE1 3.63Å; Y149-Y385 AromaticContact CZ-CD1 3.96Å; Y149-Y385 AromaticContact CZ-CE1 3.58Å
150	I	91.1	Very high	87.9	Confident	111 Å²	111	66.3 Å²	66.3	57%	0.569	36%	0.357	S	S	*	.	H	α-helix	trans	-62.6	-40.8	179.5	-67.8	164.2	0	0	0	111	A146 S147 Y153 F154	A146-I150 WeakPolarHBondContact O-CD1 3.14Å; A146-I150 WeakPolarHBondContact O-CG1 3.47Å; A146-I150 PolarHBondContact O-N 2.98Å; S147-I150 PolarHBondContact O-N 3.19Å; I150-Y153 PolarHBondContact O-N 3.5Å; I150-F154 WeakPolarHBondContact O-CB 3.19Å; I150-F154 PolarHBondContact O-N 3.4Å
151	L	91.1	Very high	88.5	Confident	41 Å²	41	65.2 Å²	65.2	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-47.7	179	-179.5	61.2	0	0	0	111.9	L139 V140 S147 A148 Y149 Y153 F154 L155	L139-L151 HydrophobicContact CB-CD2 4.07Å; L139-L151 HydrophobicContact CD1-CD1 4.37Å; L139-L151 HydrophobicContact CD1-CD2 4.14Å; V140-L151 HydrophobicContact CG2-CD2 3.54Å; S147-L151 WeakPolarHBondContact O-CB 3.41Å; S147-L151 PolarHBondContact O-N 2.99Å; A148-L151 PolarHBondContact O-N 3.36Å; Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 2.91Å; L151-Y153 VanDerWaalsContact C-N 3.27Å; L151-Y153 PolarHBondContact O-N 3.46Å; L151-F154 PolarHBondContact O-N 2.78Å; L151-L155 HydrophobicContact CD1-CD1 3.91Å; L151-L155 HydrophobicContact CD1-CG 4.27Å; L151-L155 HydrophobicContact CG-CD1 4.01Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 3Å
152	N	90.7	Very high	89.3	Confident	16 Å²	16	60.9 Å²	60.9	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-39.6	176.1	-71.3	-35.5	0	0	0	111.2	W135 S136 A148 Y149 L155 Y156 Y385	W135-N152 PolarHBondContact N-OD1 2.87Å; S136-N152 WeakPolarHBondContact CB-ND2 3.46Å; S136-N152 WeakPolarHBondContact CB-OD1 3.33Å; S136-N152 PolarHBondContact N-OD1 2.76Å; S136-N152 PolarHBondContact OG-ND2 2.86Å; S136-N152 PolarHBondContact OG-OD1 2.74Å; A148-N152 WeakPolarHBondContact O-CB 3.39Å; A148-N152 PolarHBondContact O-N 3.25Å; A148-N152 PolarHBondContact O-ND2 3.45Å; A148-N152 VanDerWaalsContact O-ND2 3.12Å; Y149-N152 PolarHBondContact O-N 3.2Å; N152-L155 PolarHBondContact O-N 3.26Å; N152-Y156 VanDerWaalsContact O-CB 3.29Å; N152-Y156 WeakPolarHBondContact O-CB 3.36Å; N152-Y156 PolarHBondContact O-N 3.45Å; N152-Y385 WeakPolarHBondContact CB-OH 3.31Å
153	Y	92.8	Very high	90.2	Very high	55 Å²	55	57.1 Å²	57.1	22%	0.216	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-46	176.6	-175.2	-161.7	0	0	0	112.2	Y149 I150 L151 Y156 I157 I382 Y385	Y149-Y153 VanDerWaalsContact O-CB 3.27Å; Y149-Y153 WeakPolarHBondContact O-CB 3.31Å; Y149-Y153 PolarHBondContact O-N 2.62Å; I150-Y153 PolarHBondContact O-N 3.5Å; L151-Y153 VanDerWaalsContact C-N 3.27Å; L151-Y153 PolarHBondContact O-N 3.46Å; Y153-Y156 PolarHBondContact O-N 3.36Å; Y153-I157 HydrophobicContact CD2-CD1 3.76Å; Y153-I157 HydrophobicContact CD2-CG1 4.13Å; Y153-I157 HydrophobicContact CE2-CD1 3.38Å; Y153-I157 HydrophobicContact CE2-CG1 3.92Å; Y153-I157 WeakPolarHBondContact O-CG1 3.3Å; Y153-I157 PolarHBondContact O-N 3.22Å; Y153-I157 VanDerWaalsContact O-N 3.16Å; Y153-I382 VanDerWaalsContact OH-CA 3.29Å; Y153-I382 WeakPolarHBondContact OH-CA 3.21Å; Y153-I382 WeakPolarHBondContact OH-CG2 3.42Å; Y153-I382 PolarHBondContact OH-O 3.33Å; Y153-Y385 HydrophobicContact CD1-CD1 4.34Å; Y153-Y385 AromaticContact CD2-CD1 3.34Å; Y153-Y385 HydrophobicContact CD2-CD1 3.34Å; Y153-Y385 HydrophobicContact CD2-CD2 4.01Å; Y153-Y385 HydrophobicContact CD2-CE1 4.03Å; Y153-Y385 AromaticContact CD2-CG 3.34Å; Y153-Y385 HydrophobicContact CD2-CG 3.34Å; Y153-Y385 VanDerWaalsContact CE2-CB 3.47Å; Y153-Y385 AromaticContact CE2-CD1 3.99Å; Y153-Y385 HydrophobicContact CE2-CD1 3.99Å; Y153-Y385 AromaticContact CE2-CG 3.85Å; Y153-Y385 HydrophobicContact CE2-CG 3.85Å; Y153-Y385 AromaticContact CG-CD1 3.56Å; Y153-Y385 HydrophobicContact CG-CD1 3.56Å; Y153-Y385 AromaticContact CG-CE1 3.88Å; Y153-Y385 HydrophobicContact CG-CE1 3.88Å; Y153-Y385 HydrophobicContact CG-CG 4.05Å
154	F	93.7	Very high	91.4	Very high	132 Å²	132	53.7 Å²	53.7	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-62	-44.8	177.2	176.9	-100.4	0	0	0	112.2	I150 L151 I157 M158	I150-F154 WeakPolarHBondContact O-CB 3.19Å; I150-F154 PolarHBondContact O-N 3.4Å; L151-F154 PolarHBondContact O-N 2.78Å; F154-I157 PolarHBondContact O-N 2.95Å; F154-M158 WeakPolarHBondContact O-CB 3.22Å; F154-M158 PolarHBondContact O-N 3.15Å
155	L	93.1	Very high	92.5	Very high	19 Å²	19	51 Å²	51	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-68.9	-36.7	-179.5	-70.8	171.5	0	0	0	112.5	W135 L139 L151 N152 I157 M158 W159	W135-L155 HydrophobicContact CB-CB 4.46Å; W135-L155 HydrophobicContact CB-CD1 3.33Å; W135-L155 HydrophobicContact CD2-CD1 4.3Å; W135-L155 HydrophobicContact CG-CB 4.34Å; W135-L155 HydrophobicContact CG-CD1 3.78Å; L139-L155 HydrophobicContact CD1-CD1 3.62Å; L151-L155 HydrophobicContact CD1-CD1 3.91Å; L151-L155 HydrophobicContact CD1-CG 4.27Å; L151-L155 HydrophobicContact CG-CD1 4.01Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 3Å; N152-L155 PolarHBondContact O-N 3.26Å; L155-I157 PolarHBondContact O-N 3.25Å; L155-M158 HydrophobicContact CD2-CE 4.08Å; L155-M158 PolarHBondContact O-N 2.82Å; L155-W159 VanDerWaalsContact O-CD1 3.31Å; L155-W159 PolarHBondContact O-N 3.31Å
156	Y	93.6	Very high	93.1	Very high	6 Å²	6	52.6 Å²	52.6	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-56.9	-48.5	171.8	-178	-86.7	0	0	0	111.4	K99 N152 Y153 A160 A381 Y385 R391	K99-Y156 HydrophobicContact CB-CD2 3.7Å; K99-Y156 HydrophobicContact CB-CE2 3.98Å; K99-Y156 HydrophobicContact CB-CG 4.5Å; K99-Y156 HydrophobicContact CD-CD2 4.41Å; K99-Y156 HydrophobicContact CD-CE2 4.08Å; N152-Y156 VanDerWaalsContact O-CB 3.29Å; N152-Y156 WeakPolarHBondContact O-CB 3.36Å; N152-Y156 PolarHBondContact O-N 3.45Å; Y153-Y156 PolarHBondContact O-N 3.36Å; Y156-A160 WeakPolarHBondContact O-CB 3.37Å; Y156-A160 PolarHBondContact O-N 3.14Å; Y156-A381 HydrophobicContact CD1-CB 4.3Å; Y156-A381 HydrophobicContact CE1-CB 4.1Å; Y156-Y385 AromaticContact CD1-CD2 3.82Å; Y156-Y385 HydrophobicContact CD1-CD2 3.82Å; Y156-Y385 AromaticContact CD2-CD2 3.95Å; Y156-Y385 HydrophobicContact CD2-CD2 3.95Å; Y156-Y385 HydrophobicContact CD2-CE2 4.22Å; Y156-Y385 HydrophobicContact CE1-CD2 4.41Å; Y156-Y385 AromaticContact CG-CD2 3.57Å; Y156-Y385 HydrophobicContact CG-CD2 3.57Å; Y156-Y385 HydrophobicContact CG-CE2 4.02Å; Y156-R391 HydrophobicContact CE2-CG 3.89Å; Y156-R391 PolarHBondContact OH-O 2.9Å
157	I	95	Very high	93.6	Very high	30 Å²	30	49 Å²	49	15%	0.154	24%	0.24	C	C	.	.	H	α-helix	trans	-63.2	-44.8	177.1	-66	166.2	0	0	0	110.6	Y153 F154 L155 W159 A160 L161 A381 I382	Y153-I157 HydrophobicContact CD2-CD1 3.76Å; Y153-I157 HydrophobicContact CD2-CG1 4.13Å; Y153-I157 HydrophobicContact CE2-CD1 3.38Å; Y153-I157 HydrophobicContact CE2-CG1 3.92Å; Y153-I157 WeakPolarHBondContact O-CG1 3.3Å; Y153-I157 PolarHBondContact O-N 3.22Å; Y153-I157 VanDerWaalsContact O-N 3.16Å; F154-I157 PolarHBondContact O-N 2.95Å; L155-I157 PolarHBondContact O-N 3.25Å; I157-W159 PolarHBondContact O-N 3.04Å; I157-A160 PolarHBondContact O-N 3.27Å; I157-L161 HydrophobicContact CG2-CD1 3.75Å; I157-L161 HydrophobicContact CG2-CG 4.17Å; I157-L161 WeakPolarHBondContact O-CB 3.2Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 3.35Å; I157-A381 HydrophobicContact CG1-CB 4.03Å; I157-I382 HydrophobicContact CD1-CG1 3.76Å; I157-I382 HydrophobicContact CG1-CG1 4.41Å
158	M	95.4	Very high	94	Very high	75 Å²	75	45.8 Å²	45.8	37%	0.369	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-48	-177.6	-171.8	-78.5	-68.8	0	0	111.7	F154 L155 L161 C162	F154-M158 WeakPolarHBondContact O-CB 3.22Å; F154-M158 PolarHBondContact O-N 3.15Å; L155-M158 HydrophobicContact CD2-CE 4.08Å; L155-M158 PolarHBondContact O-N 2.82Å; M158-L161 PolarHBondContact O-N 3.01Å; M158-C162 WeakPolarHBondContact O-CB 2.93Å; M158-C162 PolarHBondContact O-N 3.33Å
159	W	95.6	Very high	94.4	Very high	59 Å²	59	47.3 Å²	47.3	22%	0.223	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-44	176.5	-82	116.3	0	0	0	112.4	L98 K99 W135 L155 I157 L161 C162 F163	L98-W159 HydrophobicContact CD2-CH2 4.34Å; L98-W159 HydrophobicContact CD2-CZ2 4.15Å; K99-W159 HydrophobicContact CG-CB 3.98Å; W135-W159 AromaticContact CE2-NE1 3.59Å; W135-W159 HydrophobicContact CH2-CZ2 4.18Å; W135-W159 AromaticContact CZ2-CE2 3.89Å; W135-W159 HydrophobicContact CZ2-CZ2 4.03Å; W135-W159 AromaticContact CZ2-NE1 3.31Å; W135-W159 VanDerWaalsContact CZ2-NE1 3.31Å; W135-W159 AromaticContact NE1-NE1 3.84Å; L155-W159 VanDerWaalsContact O-CD1 3.31Å; L155-W159 PolarHBondContact O-N 3.31Å; I157-W159 PolarHBondContact O-N 3.04Å; W159-L161 VanDerWaalsContact C-N 3.33Å; W159-L161 PolarHBondContact O-N 3.4Å; W159-C162 WeakPolarHBondContact O-CB 3.09Å; W159-C162 PolarHBondContact O-N 3.22Å; W159-F163 HydrophobicContact CB-CE2 4.39Å; W159-F163 HydrophobicContact CD2-CZ 4.34Å; W159-F163 HydrophobicContact CE3-CD1 4.43Å; W159-F163 AromaticContact CE3-CE1 3.58Å; W159-F163 HydrophobicContact CE3-CE1 3.58Å; W159-F163 HydrophobicContact CE3-CE2 4.25Å; W159-F163 AromaticContact CE3-CZ 3.48Å; W159-F163 HydrophobicContact CE3-CZ 3.48Å; W159-F163 VanDerWaalsContact CE3-CZ 3.48Å; W159-F163 AromaticContact CZ3-CE1 3.78Å; W159-F163 HydrophobicContact CZ3-CE1 3.78Å; W159-F163 AromaticContact CZ3-CZ 3.95Å; W159-F163 HydrophobicContact CZ3-CZ 3.95Å; W159-F163 WeakPolarHBondContact O-CD2 3.47Å; W159-F163 WeakPolarHBondContact O-CG 3.41Å; W159-F163 PolarHBondContact O-N 2.94Å
160	A	95.6	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-45.6	176.3	0	0	0	0	0	112	K99 Y156 I157 A164 S217 T377 A381	K99-A160 HydrophobicContact CD-CB 4.48Å; Y156-A160 WeakPolarHBondContact O-CB 3.37Å; Y156-A160 PolarHBondContact O-N 3.14Å; I157-A160 PolarHBondContact O-N 3.27Å; A160-A164 WeakPolarHBondContact O-CB 3.36Å; A160-A164 PolarHBondContact O-N 3.04Å; A160-A164 VanDerWaalsContact O-N 3.08Å; A160-S217 WeakPolarHBondContact CB-O 3.22Å; A160-T377 HydrophobicContact CB-CG2 4.12Å; A160-A381 HydrophobicContact CB-CB 4.12Å
161	L	96.9	Very high	94.8	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-66.8	-39.7	177.4	-68.1	176.8	0	0	0	112.5	I157 M158 W159 A164 F165 I374 T377 A378	I157-L161 HydrophobicContact CG2-CD1 3.75Å; I157-L161 HydrophobicContact CG2-CG 4.17Å; I157-L161 WeakPolarHBondContact O-CB 3.2Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.24Å; I157-L161 PolarHBondContact O-N 3.35Å; M158-L161 PolarHBondContact O-N 3.01Å; W159-L161 VanDerWaalsContact C-N 3.33Å; W159-L161 PolarHBondContact O-N 3.4Å; L161-A164 PolarHBondContact O-N 2.93Å; L161-F165 VanDerWaalsContact O-CB 3.24Å; L161-F165 WeakPolarHBondContact O-CB 3.31Å; L161-F165 PolarHBondContact O-N 3.1Å; L161-I374 HydrophobicContact CD2-CG2 4.06Å; L161-I374 WeakPolarHBondContact CD2-O 3.46Å; L161-T377 HydrophobicContact CD2-CG2 4.05Å; L161-A378 HydrophobicContact CD2-CB 3.87Å
162	C	96.9	Very high	94.8	Very high	55 Å²	55	43.5 Å²	43.5	37%	0.372	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-50	177.1	-174.9	0	0	0	0	111.3	M158 W159 A164 F165 L166	M158-C162 WeakPolarHBondContact O-CB 2.93Å; M158-C162 PolarHBondContact O-N 3.33Å; W159-C162 WeakPolarHBondContact O-CB 3.09Å; W159-C162 PolarHBondContact O-N 3.22Å; C162-A164 PolarHBondContact O-N 3.45Å; C162-F165 PolarHBondContact O-N 3.32Å; C162-L166 WeakPolarHBondContact O-CB 3.31Å; C162-L166 PolarHBondContact O-N 3.19Å
163	F	96.8	Very high	94.9	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.053	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-44.2	178.6	-62.5	-29.2	0	0	0	112.3	M95 L98 K99 W159 F165 L166 A167 L213	M95-F163 HydrophobicContact CE-CD1 3.72Å; M95-F163 HydrophobicContact CE-CE1 3.37Å; M95-F163 HydrophobicContact CE-CE2 4.42Å; M95-F163 HydrophobicContact CE-CG 4.39Å; M95-F163 HydrophobicContact CE-CZ 3.76Å; M95-F163 VanDerWaalsContact O-CE2 3.29Å; M95-F163 WeakPolarHBondContact O-CE2 3.36Å; L98-F163 HydrophobicContact CB-CZ 4.49Å; K99-F163 HydrophobicContact CG-CE2 4.26Å; W159-F163 HydrophobicContact CB-CE2 4.39Å; W159-F163 HydrophobicContact CD2-CZ 4.34Å; W159-F163 HydrophobicContact CE3-CD1 4.43Å; W159-F163 AromaticContact CE3-CE1 3.58Å; W159-F163 HydrophobicContact CE3-CE1 3.58Å; W159-F163 HydrophobicContact CE3-CE2 4.25Å; W159-F163 AromaticContact CE3-CZ 3.48Å; W159-F163 HydrophobicContact CE3-CZ 3.48Å; W159-F163 VanDerWaalsContact CE3-CZ 3.48Å; W159-F163 AromaticContact CZ3-CE1 3.78Å; W159-F163 HydrophobicContact CZ3-CE1 3.78Å; W159-F163 AromaticContact CZ3-CZ 3.95Å; W159-F163 HydrophobicContact CZ3-CZ 3.95Å; W159-F163 WeakPolarHBondContact O-CD2 3.47Å; W159-F163 WeakPolarHBondContact O-CG 3.41Å; W159-F163 PolarHBondContact O-N 2.94Å; F163-F165 PolarHBondContact O-N 3.02Å; F163-L166 PolarHBondContact O-N 3.37Å; F163-A167 VanDerWaalsContact O-CB 3.32Å; F163-A167 WeakPolarHBondContact O-CB 3.34Å; F163-A167 PolarHBondContact O-N 2.8Å; F163-L213 HydrophobicContact CB-CD2 4.46Å; F163-L213 HydrophobicContact CD1-CD2 4.05Å
164	A	96.4	Very high	94.8	Very high	1 Å²	1	51 Å²	51	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-41.2	178	0	0	0	0	0	112.5	A160 L161 C162 A167 V168 V373 T377	A160-A164 WeakPolarHBondContact O-CB 3.36Å; A160-A164 PolarHBondContact O-N 3.04Å; A160-A164 VanDerWaalsContact O-N 3.08Å; L161-A164 PolarHBondContact O-N 2.93Å; C162-A164 PolarHBondContact O-N 3.45Å; A164-A167 PolarHBondContact O-N 2.96Å; A164-V168 WeakPolarHBondContact O-CG1 3.28Å; A164-V168 PolarHBondContact O-N 3.13Å; A164-V373 HydrophobicContact CB-CG1 4.17Å; A164-T377 HydrophobicContact CB-CG2 3.78Å; A164-T377 VanDerWaalsContact CB-OG1 3.28Å; A164-T377 WeakPolarHBondContact CB-OG1 3.19Å
165	F	96.6	Very high	94.7	Very high	111 Å²	111	44.9 Å²	44.9	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-45.6	176.5	174.9	-106.3	0	0	0	112.1	L161 C162 F163 V168 S169 V370 I374	L161-F165 VanDerWaalsContact O-CB 3.24Å; L161-F165 WeakPolarHBondContact O-CB 3.31Å; L161-F165 PolarHBondContact O-N 3.1Å; C162-F165 PolarHBondContact O-N 3.32Å; F163-F165 PolarHBondContact O-N 3.02Å; F165-V168 WeakPolarHBondContact O-CG1 3.35Å; F165-S169 VanDerWaalsContact O-CB 3.27Å; F165-S169 WeakPolarHBondContact O-CB 3.33Å; F165-S169 PolarHBondContact O-N 3.21Å; F165-S169 VanDerWaalsContact O-N 3.08Å; F165-S169 PolarHBondContact O-OG 2.7Å; F165-V370 HydrophobicContact CD2-CG1 4.23Å; F165-V370 HydrophobicContact CE2-CG1 4.26Å; F165-I374 HydrophobicContact CD2-CD1 3.86Å
166	L	96.2	Very high	94.4	Very high	81 Å²	81	47.9 Å²	47.9	42%	0.424	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-42.4	179.4	-162.1	129.1	0	0	0	110.9	C162 F163 S169 L170 L213	C162-L166 WeakPolarHBondContact O-CB 3.31Å; C162-L166 PolarHBondContact O-N 3.19Å; F163-L166 PolarHBondContact O-N 3.37Å; L166-S169 PolarHBondContact O-N 3.03Å; L166-L170 HydrophobicContact CD2-CD1 3.66Å; L166-L170 HydrophobicContact CD2-CG 4.33Å; L166-L170 WeakPolarHBondContact O-CG 3.48Å; L166-L170 PolarHBondContact O-N 3.13Å; L166-L213 HydrophobicContact CD2-CD1 3.23Å; L166-L213 HydrophobicContact CD2-CD2 4.03Å; L166-L213 HydrophobicContact CD2-CG 4.28Å; L166-L213 HydrophobicContact CG-CD1 4.46Å
167	A	95.8	Very high	94.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-54.5	176.9	0	0	0	0	0	112.6	F163 A164 S169 L170 V171 L213 V214	F163-A167 VanDerWaalsContact O-CB 3.32Å; F163-A167 WeakPolarHBondContact O-CB 3.34Å; F163-A167 PolarHBondContact O-N 2.8Å; A164-A167 PolarHBondContact O-N 2.96Å; A167-S169 VanDerWaalsContact C-N 3.28Å; A167-S169 PolarHBondContact O-N 3.49Å; A167-L170 PolarHBondContact O-N 3.34Å; A167-V171 VanDerWaalsContact O-CG2 3.26Å; A167-V171 WeakPolarHBondContact O-CG2 3.46Å; A167-V171 PolarHBondContact O-N 2.75Å; A167-V171 VanDerWaalsContact O-N 3.09Å; A167-L213 HydrophobicContact CB-CB 3.89Å; A167-L213 HydrophobicContact CB-CD1 4.49Å; A167-V214 HydrophobicContact CB-CG2 3.63Å
168	V	95.3	Very high	94	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-32.4	-177.5	70.5	0	0	0	0	112.1	A164 F165 R172 V370 V373 I464	A164-V168 WeakPolarHBondContact O-CG1 3.28Å; A164-V168 PolarHBondContact O-N 3.13Å; F165-V168 WeakPolarHBondContact O-CG1 3.35Å; V168-R172 VanDerWaalsContact O-CB 3.27Å; V168-R172 WeakPolarHBondContact O-CB 3.31Å; V168-R172 PolarHBondContact O-N 2.87Å; V168-V370 HydrophobicContact CG1-CB 4.2Å; V168-V370 HydrophobicContact CG1-CG1 3.85Å; V168-V370 HydrophobicContact CG1-CG2 4.1Å; V168-V370 HydrophobicContact CG2-CG2 4.04Å; V168-V373 HydrophobicContact CB-CB 4.41Å; V168-V373 HydrophobicContact CB-CG1 4.34Å; V168-V373 HydrophobicContact CB-CG2 4.42Å; V168-V373 HydrophobicContact CG2-CB 4.39Å; V168-V373 HydrophobicContact CG2-CG2 4.03Å; V168-I464 HydrophobicContact CB-CG2 3.89Å; V168-I464 HydrophobicContact CG2-CG2 4.09Å
169	S	94.7	Very high	93.7	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	25%	0.245	C	C	.	.	H	α-helix	trans	-67	-46	176.7	-61.7	0	0	0	0	111.6	F165 L166 A167 R172 V173	F165-S169 VanDerWaalsContact O-CB 3.27Å; F165-S169 WeakPolarHBondContact O-CB 3.33Å; F165-S169 PolarHBondContact O-N 3.21Å; F165-S169 VanDerWaalsContact O-N 3.08Å; F165-S169 PolarHBondContact O-OG 2.7Å; L166-S169 PolarHBondContact O-N 3.03Å; A167-S169 VanDerWaalsContact C-N 3.28Å; A167-S169 PolarHBondContact O-N 3.49Å; S169-R172 PolarHBondContact O-N 2.77Å; S169-V173 WeakPolarHBondContact O-CB 3.36Å; S169-V173 VanDerWaalsContact O-CG2 3.31Å; S169-V173 WeakPolarHBondContact O-CG2 2.91Å; S169-V173 PolarHBondContact O-N 3.15Å
170	L	94.7	Very high	93.5	Very high	37 Å²	37	46.7 Å²	46.7	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-46.1	177.1	-74.6	177.8	0	0	0	112.2	L166 A167 R172 F174 I206 V209 T210 L213	L166-L170 HydrophobicContact CD2-CD1 3.66Å; L166-L170 HydrophobicContact CD2-CG 4.33Å; L166-L170 WeakPolarHBondContact O-CG 3.48Å; L166-L170 PolarHBondContact O-N 3.13Å; A167-L170 PolarHBondContact O-N 3.34Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.35Å; L170-F174 HydrophobicContact CD2-CD2 3.78Å; L170-F174 HydrophobicContact CD2-CE2 3.69Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 PolarHBondContact O-N 3.11Å; L170-I206 HydrophobicContact CB-CG2 4.5Å; L170-V209 HydrophobicContact CD1-CG1 4.1Å; L170-T210 HydrophobicContact CB-CG2 3.58Å; L170-T210 HydrophobicContact CD1-CG2 3.93Å; L170-T210 HydrophobicContact CG-CG2 4.42Å; L170-L213 HydrophobicContact CD1-CD1 4.08Å
171	V	93.8	Very high	93.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-45.3	178.5	175.3	0	0	0	0	110.8	A167 A175 P176 A178 C179 T210 P465	A167-V171 VanDerWaalsContact O-CG2 3.26Å; A167-V171 WeakPolarHBondContact O-CG2 3.46Å; A167-V171 PolarHBondContact O-N 2.75Å; A167-V171 VanDerWaalsContact O-N 3.09Å; V171-A175 CarbonylContact O-C 3.55Å; V171-A175 PolarHBondContact O-N 3.38Å; V171-A175 VanDerWaalsContact O-O 3.09Å; V171-P176 WeakPolarHBondContact O-CA 2.93Å; V171-P176 VanDerWaalsContact O-N 3.17Å; V171-A178 HydrophobicContact CG1-CB 4.44Å; V171-C179 WeakPolarHBondContact CG1-SG 3.44Å; V171-T210 HydrophobicContact CG2-CG2 3.8Å; V171-P465 HydrophobicContact CG2-CG 4.3Å
172	R	91.5	Very high	93	Very high	140 Å²	140	44.6 Å²	44.6	53%	0.528	23%	0.231	S	C	.	.	H	α-helix	trans	-70.2	-39.3	-176.2	-173.4	178.3	-178.5	167.6	2.6	113.1	V168 S169 L170	V168-R172 VanDerWaalsContact O-CB 3.27Å; V168-R172 WeakPolarHBondContact O-CB 3.31Å; V168-R172 PolarHBondContact O-N 2.87Å; S169-R172 PolarHBondContact O-N 2.77Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.35Å
173	V	92	Very high	92.9	Very high	108 Å²	108	42.1 Å²	42.1	66%	0.655	21%	0.214	S	C	*	.	H	α-helix	trans	-81.9	-44.1	-174.4	174.5	0	0	0	0	111.6	S169	S169-V173 WeakPolarHBondContact O-CB 3.36Å; S169-V173 VanDerWaalsContact O-CG2 3.31Å; S169-V173 WeakPolarHBondContact O-CG2 2.91Å; S169-V173 PolarHBondContact O-N 3.15Å
174	F	92	Very high	92.7	Very high	120 Å²	120	41.8 Å²	41.8	53%	0.526	21%	0.214	S	C	.	.	H	α-helix	trans	-100.5	-39.8	-169.8	-65.6	-76.7	0	0	0	114.1	L170 I206	L170-F174 HydrophobicContact CD2-CD2 3.78Å; L170-F174 HydrophobicContact CD2-CE2 3.69Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 PolarHBondContact O-N 3.11Å; F174-I206 HydrophobicContact CB-CD1 3.58Å; F174-I206 HydrophobicContact CB-CG1 3.72Å; F174-I206 HydrophobicContact CD2-CD1 4.15Å; F174-I206 HydrophobicContact CG-CD1 3.97Å
175	A	90.5	Very high	92.5	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.033	22%	0.219	C	C	.	.			trans	-152	83.9	-171.9	0	0	0	0	0	112.8	V171 Y177 A178 T203 I206	V171-A175 CarbonylContact O-C 3.55Å; V171-A175 PolarHBondContact O-N 3.38Å; V171-A175 VanDerWaalsContact O-O 3.09Å; A175-Y177 PolarHBondContact O-N 3.36Å; A175-A178 HydrophobicContact CB-CB 4.34Å; A175-A178 VanDerWaalsContact O-CB 3.25Å; A175-A178 WeakPolarHBondContact O-CB 2.93Å; A175-A178 PolarHBondContact O-N 3.42Å; A175-T203 HydrophobicContact CB-CG2 4.29Å; A175-I206 HydrophobicContact CB-CB 3.8Å; A175-I206 HydrophobicContact CB-CG1 3.91Å; A175-I206 HydrophobicContact CB-CG2 3.98Å
176	P	88	Confident	92.3	Very high	82 Å²	82	37.8 Å²	37.8	53%	0.532	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-63	-27.1	-178.9	24.1	-34	0	0	0	113	V171 A178 C179	V171-P176 WeakPolarHBondContact O-CA 2.93Å; V171-P176 VanDerWaalsContact O-N 3.17Å; P176-A178 PolarHBondContact O-N 3.08Å; P176-C179 PolarHBondContact O-N 2.77Å; P176-C179 PolarHBondContact O-SG 2.93Å
177	Y	88.8	Confident	92.1	Very high	95 Å²	95	34.4 Å²	34.4	37%	0.373	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-66.8	-9.7	174.2	-68.7	-57.5	0	0	0	114.3	A175 C179 I195 Y198	A175-Y177 PolarHBondContact O-N 3.36Å; Y177-C179 VanDerWaalsContact C-N 3.25Å; Y177-C179 PolarHBondContact O-N 2.66Å; Y177-I195 HydrophobicContact CE1-CG2 4.47Å; Y177-Y198 AromaticContact CD1-CD2 3.93Å; Y177-Y198 HydrophobicContact CD1-CD2 3.93Å; Y177-Y198 HydrophobicContact CG-CD2 4.19Å; Y177-Y198 WeakPolarHBondContact O-CE2 2.99Å
178	A	89.9	Confident	91.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-73	-17.1	175.5	0	0	0	0	0	113.3	V171 A175 P176 I206 K207	V171-A178 HydrophobicContact CG1-CB 4.44Å; A175-A178 HydrophobicContact CB-CB 4.34Å; A175-A178 VanDerWaalsContact O-CB 3.25Å; A175-A178 WeakPolarHBondContact O-CB 2.93Å; A175-A178 PolarHBondContact O-N 3.42Å; P176-A178 PolarHBondContact O-N 3.08Å; A178-I206 HydrophobicContact CB-CG2 4.42Å; A178-K207 HydrophobicContact CB-CB 3.98Å; A178-K207 HydrophobicContact CB-CD 4.48Å; A178-K207 HydrophobicContact CB-CG 4.37Å; A178-K207 WeakPolarHBondContact O-CE 3.17Å; A178-K207 PolarHBondContact O-NZ 3.21Å
179	C	90.5	Very high	91.6	Very high	33 Å²	33	34.9 Å²	34.9	22%	0.223	18%	0.181	C	C	.	.			trans	-56.5	152.6	-179.6	-63.8	0	0	0	0	113.3	V171 P176 Y177 K463	V171-C179 WeakPolarHBondContact CG1-SG 3.44Å; P176-C179 PolarHBondContact O-N 2.77Å; P176-C179 PolarHBondContact O-SG 2.93Å; Y177-C179 VanDerWaalsContact C-N 3.25Å; Y177-C179 PolarHBondContact O-N 2.66Å; C179-K463 VanDerWaalsContact SG-C 3.59Å
180	G	91.2	Very high	91.4	Very high	17 Å²	17	33.6 Å²	33.6	18%	0.175	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	73.8	-174.9	173.6	0	0	0	0	0	114.3	K207 I464 S466	G180-K207 PolarHBondContact O-NZ 2.95Å; G180-I464 PolarHBondContact N-O 3.03Å; G180-S466 CarbonylContact C-O 3.57Å; G180-S466 WeakPolarHBondContact CA-OG 3.44Å; G180-S466 PolarHBondContact O-N 2.91Å
181	S	90.6	Very high	90.9	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.028	17%	0.165	C	C	.	.			trans	-67.6	-48.1	177.1	171.1	0	0	0	0	111.4	I183 K207 P226 S466	S181-I183 WeakPolarHBondContact OG-CD1 3.33Å; S181-K207 PolarHBondContact O-NZ 3.27Å; S181-P226 WeakPolarHBondContact O-CA 2.91Å; S181-S466 WeakPolarHBondContact CA-O 3.35Å; S181-S466 WeakPolarHBondContact CB-O 3.47Å; S181-S466 PolarHBondContact N-O 3.17Å; S181-S466 VanDerWaalsContact N-O 3.1Å
182	G	91.8	Very high	90.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	93.2	-9.7	-175.4	0	0	0	0	0	115.6	E185 I186 Y198	G182-E185 VanDerWaalsContact CA-OE2 3.3Å; G182-E185 WeakPolarHBondContact CA-OE2 3.49Å; G182-E185 PolarHBondContact O-N 3Å; G182-I186 WeakPolarHBondContact O-CB 3.35Å; G182-I186 WeakPolarHBondContact O-CD1 3.35Å; G182-I186 WeakPolarHBondContact O-CG1 3.24Å; G182-I186 PolarHBondContact O-N 3.24Å; G182-Y198 WeakPolarHBondContact CA-OH 3.32Å
183	I	93.9	Very high	90	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-46.2	170.4	-65	167.2	0	0	0	111.9	S181 E185 I186 K187 V228 F277 F469 Y572	S181-I183 WeakPolarHBondContact OG-CD1 3.33Å; I183-E185 VanDerWaalsContact C-N 3.33Å; I183-E185 PolarHBondContact O-N 3.24Å; I183-I186 PolarHBondContact O-N 2.88Å; I183-K187 VanDerWaalsContact O-CB 3.3Å; I183-K187 WeakPolarHBondContact O-CB 3.25Å; I183-K187 PolarHBondContact O-N 2.82Å; I183-V228 HydrophobicContact CD1-CG2 4.43Å; I183-V228 HydrophobicContact CG1-CB 4.34Å; I183-F277 HydrophobicContact CD1-CZ 4.19Å; I183-F469 HydrophobicContact CD1-CE2 4.32Å; I183-F469 HydrophobicContact CD1-CZ 3.95Å; I183-Y572 HydrophobicContact CB-CD1 4.01Å; I183-Y572 HydrophobicContact CB-CE1 3.87Å; I183-Y572 HydrophobicContact CD1-CE1 3.96Å; I183-Y572 HydrophobicContact CD1-CE2 4.35Å; I183-Y572 WeakPolarHBondContact CD1-OH 3.42Å; I183-Y572 HydrophobicContact CG1-CE1 4.48Å; I183-Y572 HydrophobicContact CG2-CD1 3.98Å; I183-Y572 HydrophobicContact CG2-CD2 4.17Å; I183-Y572 HydrophobicContact CG2-CE1 4.12Å; I183-Y572 HydrophobicContact CG2-CE2 4.33Å; I183-Y572 HydrophobicContact CG2-CG 3.99Å
184	P	92.8	Very high	89.6	Confident	6 Å²	6	21.2 Å²	21.2	4%	0.039	11%	0.112	C	C	.	.	H	α-helix	trans	-53.9	-47.8	176.5	-28.9	37.5	0	0	0	113	K187 T188 Y572 H575 I576	P184-K187 PolarHBondContact O-N 3.11Å; P184-T188 VanDerWaalsContact O-CG2 3.22Å; P184-T188 WeakPolarHBondContact O-CG2 3.41Å; P184-T188 PolarHBondContact O-N 3.06Å; P184-Y572 HydrophobicContact CG-CD1 3.83Å; P184-H575 HydrophobicContact CB-CB 4.43Å; P184-H575 HydrophobicContact CG-CB 4.11Å; P184-I576 HydrophobicContact CB-CG1 3.81Å
185	E	91.9	Very high	89.3	Confident	24 Å²	24	16.1 Å²	16.1	11%	0.112	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-42.1	-178.7	-66.5	76.4	-168.5	0	0	111.2	G182 I183 K187 T188 I189 I195 Y198 Y581	G182-E185 VanDerWaalsContact CA-OE2 3.3Å; G182-E185 WeakPolarHBondContact CA-OE2 3.49Å; G182-E185 PolarHBondContact O-N 3Å; I183-E185 VanDerWaalsContact C-N 3.33Å; I183-E185 PolarHBondContact O-N 3.24Å; E185-K187 VanDerWaalsContact C-N 3.33Å; E185-K187 PolarHBondContact O-N 3.15Å; E185-T188 WeakPolarHBondContact CA-OG1 3.49Å; E185-T188 PolarHBondContact O-N 2.87Å; E185-T188 PolarHBondContact O-OG1 3.47Å; E185-I189 VanDerWaalsContact O-CG1 3.31Å; E185-I189 WeakPolarHBondContact O-CG1 3.5Å; E185-I189 PolarHBondContact O-N 2.93Å; E185-I195 HydrophobicContact CB-CD1 4.47Å; E185-Y198 HydrophobicContact CB-CD1 4.2Å; E185-Y198 HydrophobicContact CB-CD2 4.39Å; E185-Y198 HydrophobicContact CB-CE1 3.53Å; E185-Y198 HydrophobicContact CB-CE2 3.79Å; E185-Y198 HydrophobicContact CG-CD2 4.41Å; E185-Y198 HydrophobicContact CG-CE1 4.37Å; E185-Y198 HydrophobicContact CG-CE2 3.69Å; E185-Y198 PolarHBondContact OE2-OH 3.45Å; E185-Y581 HydrophobicContact CG-CE2 4.04Å
186	I	93.6	Very high	88.8	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-61.2	-43	175.3	-67.3	159.3	0	0	0	110.9	G182 I183 T188 I189 L190 Y198 V228 H229 C232 V282	G182-I186 WeakPolarHBondContact O-CB 3.35Å; G182-I186 WeakPolarHBondContact O-CD1 3.35Å; G182-I186 WeakPolarHBondContact O-CG1 3.24Å; G182-I186 PolarHBondContact O-N 3.24Å; I183-I186 PolarHBondContact O-N 2.88Å; I186-T188 VanDerWaalsContact C-N 3.3Å; I186-T188 PolarHBondContact O-N 3Å; I186-I189 PolarHBondContact O-N 2.99Å; I186-I189 VanDerWaalsContact O-N 3.15Å; I186-L190 HydrophobicContact CG2-CD1 3.87Å; I186-L190 HydrophobicContact CG2-CG 4.31Å; I186-L190 WeakPolarHBondContact O-CB 3.49Å; I186-L190 WeakPolarHBondContact O-CG 3.5Å; I186-L190 PolarHBondContact O-N 3.18Å; I186-Y198 HydrophobicContact CG1-CE1 4.4Å; I186-V228 HydrophobicContact CD1-CG1 4.34Å; I186-H229 HydrophobicContact CD1-CB 3.82Å; I186-C232 HydrophobicContact CD1-CB 4.16Å; I186-C232 HydrophobicContact CG1-CB 4.44Å; I186-V282 HydrophobicContact CG2-CG1 3.86Å
187	K	91.8	Very high	88.5	Confident	10 Å²	10	19.9 Å²	19.9	4%	0.043	11%	0.108	C	C	.	.	H	α-helix	trans	-58.8	-42.7	175.3	-174.5	168.2	-175.1	156.3	0	111	I183 P184 E185 L190 S191 E281 E573 I576 F583	I183-K187 VanDerWaalsContact O-CB 3.3Å; I183-K187 WeakPolarHBondContact O-CB 3.25Å; I183-K187 PolarHBondContact O-N 2.82Å; P184-K187 PolarHBondContact O-N 3.11Å; E185-K187 VanDerWaalsContact C-N 3.33Å; E185-K187 PolarHBondContact O-N 3.15Å; K187-L190 PolarHBondContact O-N 3.05Å; K187-S191 PolarHBondContact O-N 3.38Å; K187-E281 WeakPolarHBondContact CD-O 3.44Å; K187-E281 VanDerWaalsContact CE-O 3.25Å; K187-E281 WeakPolarHBondContact CE-O 3.4Å; K187-E281 PolarHBondContact NZ-O 3.36Å; K187-E281 IonicContact NZ-OE2 3.82Å; K187-E573 IonicContact NZ-OE1 3.92Å; K187-E573 PolarHBondContact NZ-OE1 3.36Å; K187-I576 HydrophobicContact CB-CD1 4.24Å; K187-I576 HydrophobicContact CD-CD1 3.97Å; K187-I576 HydrophobicContact CG-CD1 4.14Å; K187-F583 HydrophobicContact CD-CE2 4.43Å; K187-F583 HydrophobicContact CD-CZ 4.06Å; K187-F583 HydrophobicContact CG-CE2 3.77Å; K187-F583 HydrophobicContact CG-CZ 3.89Å
188	T	89.5	Confident	88.5	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.3	-40.1	174.6	68.2	0	0	0	0	112.4	P184 E185 I186 S191 F193 I576 Y581	P184-T188 VanDerWaalsContact O-CG2 3.22Å; P184-T188 WeakPolarHBondContact O-CG2 3.41Å; P184-T188 PolarHBondContact O-N 3.06Å; E185-T188 WeakPolarHBondContact CA-OG1 3.49Å; E185-T188 PolarHBondContact O-N 2.87Å; E185-T188 PolarHBondContact O-OG1 3.47Å; I186-T188 VanDerWaalsContact C-N 3.3Å; I186-T188 PolarHBondContact O-N 3Å; T188-S191 WeakPolarHBondContact O-CB 3.37Å; T188-S191 PolarHBondContact O-N 3.42Å; T188-S191 PolarHBondContact O-OG 3.28Å; T188-F193 WeakPolarHBondContact O-CB 3.27Å; T188-F193 PolarHBondContact O-N 3.01Å; T188-I576 HydrophobicContact CG2-CD1 4Å; T188-I576 HydrophobicContact CG2-CG1 3.9Å; T188-I576 HydrophobicContact CG2-CG2 3.89Å; T188-Y581 HydrophobicContact CG2-CD2 3.85Å; T188-Y581 HydrophobicContact CG2-CG 4.07Å
189	I	90.6	Very high	88.6	Confident	10 Å²	10	16.4 Å²	16.4	5%	0.051	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-46.2	178	-69.9	166.4	0	0	0	110.4	E185 I186 S191 G192 F193 I195 Y198 L199 R253 L256	E185-I189 VanDerWaalsContact O-CG1 3.31Å; E185-I189 WeakPolarHBondContact O-CG1 3.5Å; E185-I189 PolarHBondContact O-N 2.93Å; I186-I189 PolarHBondContact O-N 2.99Å; I186-I189 VanDerWaalsContact O-N 3.15Å; I189-S191 VanDerWaalsContact C-N 3.3Å; I189-S191 PolarHBondContact O-N 3.39Å; I189-G192 WeakPolarHBondContact O-CA 3.48Å; I189-G192 PolarHBondContact O-N 3.48Å; I189-F193 VanDerWaalsContact CA-O 3.3Å; I189-F193 WeakPolarHBondContact CA-O 3.36Å; I189-I195 HydrophobicContact CD1-CB 4.47Å; I189-I195 HydrophobicContact CG1-CB 4.49Å; I189-I195 HydrophobicContact CG1-CD1 4.3Å; I189-I195 HydrophobicContact CG1-CG1 4.32Å; I189-Y198 HydrophobicContact CD1-CD1 3.72Å; I189-Y198 HydrophobicContact CD1-CE1 4.47Å; I189-Y198 HydrophobicContact CD1-CG 4.35Å; I189-L199 HydrophobicContact CD1-CD1 4.29Å; I189-L199 HydrophobicContact CD1-CG 4.32Å; I189-R253 PolarHBondContact O-NE 2.87Å; I189-R253 PolarHBondContact O-NH2 3.39Å; I189-L256 HydrophobicContact CG2-CD1 4.22Å
190	L	89.8	Confident	88.6	Confident	8 Å²	8	15.9 Å²	15.9	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-68.4	-27.1	178.8	-70.3	174.1	0	0	0	113.1	W35 I186 K187 G192 R253 L256 V282	W35-L190 WeakPolarHBondContact CZ2-O 3.43Å; I186-L190 HydrophobicContact CG2-CD1 3.87Å; I186-L190 HydrophobicContact CG2-CG 4.31Å; I186-L190 WeakPolarHBondContact O-CB 3.49Å; I186-L190 WeakPolarHBondContact O-CG 3.5Å; I186-L190 PolarHBondContact O-N 3.18Å; K187-L190 PolarHBondContact O-N 3.05Å; L190-G192 PolarHBondContact O-N 3.06Å; L190-G192 VanDerWaalsContact O-N 3.17Å; L190-R253 HydrophobicContact CD2-CB 3.83Å; L190-R253 HydrophobicContact CD2-CG 4.08Å; L190-R253 WeakPolarHBondContact CD2-O 3.32Å; L190-L256 HydrophobicContact CD2-CB 3.95Å; L190-V282 HydrophobicContact CD1-CB 4.43Å; L190-V282 HydrophobicContact CD1-CG1 3.22Å; L190-V282 WeakPolarHBondContact CD1-O 3.49Å
191	S	84.3	Confident	88.6	Confident	9 Å²	9	21.7 Å²	21.7	6%	0.063	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.4	169.5	84.6	0	0	0	0	113.7	K187 T188 I189	K187-S191 PolarHBondContact O-N 3.38Å; T188-S191 WeakPolarHBondContact O-CB 3.37Å; T188-S191 PolarHBondContact O-N 3.42Å; T188-S191 PolarHBondContact O-OG 3.28Å; I189-S191 VanDerWaalsContact C-N 3.3Å; I189-S191 PolarHBondContact O-N 3.39Å
192	G	81.9	Confident	88.7	Confident	1 Å²	1	30 Å²	30	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.3	0.3	176.3	0	0	0	0	0	114.6	T32 I33 I189 L190	T32-G192 CarbonylContact C-O 3.47Å; T32-G192 VanDerWaalsContact CA-O 3.32Å; T32-G192 WeakPolarHBondContact CA-O 3.41Å; I33-G192 PolarHBondContact N-O 3.21Å; I189-G192 WeakPolarHBondContact O-CA 3.48Å; I189-G192 PolarHBondContact O-N 3.48Å; L190-G192 PolarHBondContact O-N 3.06Å; L190-G192 VanDerWaalsContact O-N 3.17Å
193	F	84.3	Confident	88.8	Confident	5 Å²	5	30.4 Å²	30.4	2%	0.022	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-75.3	151.7	172.8	-162.4	-122.2	0	0	0	111	F30 T32 T188 I189 I195 R253 Y581 P582	F30-F193 VanDerWaalsContact C-CE2 3.44Å; F30-F193 VanDerWaalsContact CA-CZ 3.48Å; F30-F193 HydrophobicContact CB-CE1 4.48Å; F30-F193 HydrophobicContact CB-CE2 4.17Å; F30-F193 HydrophobicContact CB-CZ 3.67Å; F30-F193 AromaticContact CD1-CE1 3.69Å; F30-F193 HydrophobicContact CD1-CE1 3.69Å; F30-F193 AromaticContact CD1-CZ 3.52Å; F30-F193 HydrophobicContact CD1-CZ 3.52Å; F30-F193 HydrophobicContact CE1-CE1 4.35Å; F30-F193 HydrophobicContact CG-CE1 4.44Å; F30-F193 HydrophobicContact CG-CZ 4.02Å; F30-F193 VanDerWaalsContact O-CE2 3.24Å; F30-F193 WeakPolarHBondContact O-CE2 3.44Å; T32-F193 HydrophobicContact CG2-CD2 4.2Å; T188-F193 WeakPolarHBondContact O-CB 3.27Å; T188-F193 PolarHBondContact O-N 3.01Å; I189-F193 VanDerWaalsContact CA-O 3.3Å; I189-F193 WeakPolarHBondContact CA-O 3.36Å; F193-I195 HydrophobicContact CD1-CD1 4.2Å; F193-I195 HydrophobicContact CD1-CG1 3.74Å; F193-I195 HydrophobicContact CE1-CD1 4.49Å; F193-I195 HydrophobicContact CE1-CG1 3.96Å; F193-R253 PolarHBondContact O-NH2 3.37Å; F193-Y581 HydrophobicContact CE1-CD1 4.39Å; F193-P582 HydrophobicContact CD1-CG 4.42Å; F193-P582 HydrophobicContact CD2-CG 3.44Å; F193-P582 VanDerWaalsContact CD2-CG 3.44Å; F193-P582 HydrophobicContact CE1-CG 4.36Å; F193-P582 HydrophobicContact CE2-CG 3.36Å; F193-P582 HydrophobicContact CG-CG 3.97Å; F193-P582 HydrophobicContact CZ-CG 3.81Å
194	I	84.1	Confident	88.8	Confident	10 Å²	10	31.6 Å²	31.6	5%	0.051	16%	0.155	C	C	.	.			trans	-118.4	124.1	179.2	-67.8	173.5	0	0	0	109.1	Y27 F30 H31 I33 R196 R253	Y27-I194 HydrophobicContact CD2-CD1 3.93Å; Y27-I194 HydrophobicContact CG-CD1 3.77Å; F30-I194 WeakPolarHBondContact CA-O 3.46Å; F30-I194 PolarHBondContact N-O 2.87Å; H31-I194 PolarHBondContact O-N 3.35Å; I33-I194 HydrophobicContact CG2-CD1 3.53Å; I33-I194 HydrophobicContact CG2-CG1 4.06Å; I194-R196 HydrophobicContact CG2-CG 4.14Å; I194-R253 VanDerWaalsContact CG1-NH2 3.3Å
195	I	84.8	Confident	89	Confident	13 Å²	13	35.7 Å²	35.7	7%	0.067	18%	0.176	C	C	.	.			trans	-121.3	103.7	173.1	-51.5	174.7	0	0	0	107.1	Y177 E185 I189 F193 Y198 Y581	Y177-I195 HydrophobicContact CE1-CG2 4.47Å; E185-I195 HydrophobicContact CB-CD1 4.47Å; I189-I195 HydrophobicContact CD1-CB 4.47Å; I189-I195 HydrophobicContact CG1-CB 4.49Å; I189-I195 HydrophobicContact CG1-CD1 4.3Å; I189-I195 HydrophobicContact CG1-CG1 4.32Å; F193-I195 HydrophobicContact CD1-CD1 4.2Å; F193-I195 HydrophobicContact CD1-CG1 3.74Å; F193-I195 HydrophobicContact CE1-CD1 4.49Å; F193-I195 HydrophobicContact CE1-CG1 3.96Å; I195-Y198 HydrophobicContact CG2-CG 4.5Å; I195-Y581 HydrophobicContact CD1-CE1 4.41Å
196	R	80.6	Confident	89.1	Confident	119 Å²	119	35 Å²	35	45%	0.449	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	145.8	-178.1	-68	-173.7	174.9	-171	-2.1	110.7	Y27 D29 I194 Y198	Y27-R196 PolarHBondContact O-NE 3.07Å; Y27-R196 PolarHBondContact O-NH2 2.68Å; D29-R196 HydrophobicContact CB-CB 4.45Å; D29-R196 HydrophobicContact CB-CG 4.09Å; D29-R196 PolarHBondContact OD1-N 3.36Å; I194-R196 HydrophobicContact CG2-CG 4.14Å; R196-Y198 PolarHBondContact O-N 3.32Å; R196-Y198 VanDerWaalsContact O-N 3.12Å
197	G	82.4	Confident	89.3	Confident	46 Å²	46	34.9 Å²	34.9	47%	0.474	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-16.6	179.7	0	0	0	0	0	115.4	G200 T203	G197-G200 PolarHBondContact O-N 3.5Å; G197-G200 VanDerWaalsContact O-N 3.17Å; G197-T203 WeakPolarHBondContact O-CG2 3.28Å
198	Y	89.3	Confident	89.5	Confident	6 Å²	6	35.4 Å²	35.4	2%	0.024	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-49.8	178.8	-167.8	-100.9	0	0	0	112.5	Y177 G182 E185 I186 I189 I195 R196 G200 T203 H229	Y177-Y198 AromaticContact CD1-CD2 3.93Å; Y177-Y198 HydrophobicContact CD1-CD2 3.93Å; Y177-Y198 HydrophobicContact CG-CD2 4.19Å; Y177-Y198 WeakPolarHBondContact O-CE2 2.99Å; G182-Y198 WeakPolarHBondContact CA-OH 3.32Å; E185-Y198 HydrophobicContact CB-CD1 4.2Å; E185-Y198 HydrophobicContact CB-CD2 4.39Å; E185-Y198 HydrophobicContact CB-CE1 3.53Å; E185-Y198 HydrophobicContact CB-CE2 3.79Å; E185-Y198 HydrophobicContact CG-CD2 4.41Å; E185-Y198 HydrophobicContact CG-CE1 4.37Å; E185-Y198 HydrophobicContact CG-CE2 3.69Å; E185-Y198 PolarHBondContact OE2-OH 3.45Å; I186-Y198 HydrophobicContact CG1-CE1 4.4Å; I189-Y198 HydrophobicContact CD1-CD1 3.72Å; I189-Y198 HydrophobicContact CD1-CE1 4.47Å; I189-Y198 HydrophobicContact CD1-CG 4.35Å; I195-Y198 HydrophobicContact CG2-CG 4.5Å; R196-Y198 PolarHBondContact O-N 3.32Å; R196-Y198 VanDerWaalsContact O-N 3.12Å; Y198-G200 PolarHBondContact O-N 2.68Å; Y198-T203 WeakPolarHBondContact O-CB 3.37Å; Y198-T203 WeakPolarHBondContact O-CG2 3.33Å; Y198-T203 PolarHBondContact O-OG1 3.48Å; Y198-H229 AromaticContact CD1-CE1 3.97Å; Y198-H229 AromaticContact CD1-NE2 3.39Å; Y198-H229 WeakPolarHBondContact CD1-NE2 3.35Å; Y198-H229 AromaticContact CE1-CD2 3.55Å; Y198-H229 AromaticContact CE1-CE1 3.38Å; Y198-H229 WeakPolarHBondContact CE1-CE1 3.19Å; Y198-H229 AromaticContact CE1-NE2 3Å; Y198-H229 WeakPolarHBondContact CE1-NE2 3.31Å; Y198-H229 AromaticContact CZ-CE1 3.4Å; Y198-H229 AromaticContact CZ-ND1 3.97Å; Y198-H229 AromaticContact CZ-NE2 3.57Å; Y198-H229 PolarHBondContact O-NE2 3.28Å
199	L	91.6	Very high	89.8	Confident	16 Å²	16	38.6 Å²	38.6	8%	0.084	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	29	176.4	-58.5	172.1	0	0	0	112.9	I189 C232 N236 L256	I189-L199 HydrophobicContact CD1-CD1 4.29Å; I189-L199 HydrophobicContact CD1-CG 4.32Å; L199-C232 HydrophobicContact CD2-CB 3.95Å; L199-N236 HydrophobicContact CB-CB 3.78Å; L199-N236 HydrophobicContact CD1-CB 4.23Å; L199-N236 PolarHBondContact O-ND2 2.94Å; L199-L256 HydrophobicContact CD1-CD1 3.67Å; L199-L256 HydrophobicContact CD1-CD2 3.88Å; L199-L256 HydrophobicContact CD1-CG 4.45Å
200	G	90.4	Very high	90	Very high	22 Å²	22	38.1 Å²	38.1	23%	0.227	19%	0.194	C	C	.	.			trans	-72.7	165	-176.4	0	0	0	0	0	114.4	G197 Y198 T203 L204	G197-G200 PolarHBondContact O-N 3.5Å; G197-G200 VanDerWaalsContact O-N 3.17Å; Y198-G200 PolarHBondContact O-N 2.68Å; G200-T203 PolarHBondContact N-OG1 3.41Å; G200-T203 PolarHBondContact O-N 3.28Å; G200-T203 PolarHBondContact O-OG1 2.94Å; G200-L204 PolarHBondContact O-N 3.25Å; G200-L204 VanDerWaalsContact O-N 3.13Å
201	K	91.4	Very high	90.3	Very high	139 Å²	139	37.8 Å²	37.8	60%	0.604	19%	0.192	S	C	*	.	H	α-helix	trans	-68.4	-36.1	175.4	-56.4	-179.6	-173	179.1	0	112	L204 L205 F237	K201-L204 WeakPolarHBondContact O-CB 3.45Å; K201-L204 PolarHBondContact O-N 2.97Å; K201-L205 PolarHBondContact O-N 3.39Å; K201-L205 VanDerWaalsContact O-N 3.12Å; K201-F237 HydrophobicContact CD-CD2 4.12Å; K201-F237 HydrophobicContact CD-CE2 4.2Å; K201-F237 HydrophobicContact CG-CD2 4.17Å
202	W	91.6	Very high	90.8	Very high	180 Å²	180	38 Å²	38	68%	0.682	19%	0.193	S	C	*	.	H	α-helix	trans	-68.8	-37.2	175.7	-71.7	114.4	0	0	0	112.5	L204 L205 I206	W202-L204 VanDerWaalsContact C-N 3.35Å; W202-L205 PolarHBondContact O-N 3.39Å; W202-I206 WeakPolarHBondContact O-CB 3.33Å; W202-I206 WeakPolarHBondContact O-CG1 3.44Å; W202-I206 PolarHBondContact O-N 3.17Å
203	T	93.8	Very high	91.5	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.043	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-38.7	175.5	58.1	0	0	0	0	110.8	A175 G197 Y198 G200 K207	A175-T203 HydrophobicContact CB-CG2 4.29Å; G197-T203 WeakPolarHBondContact O-CG2 3.28Å; Y198-T203 WeakPolarHBondContact O-CB 3.37Å; Y198-T203 WeakPolarHBondContact O-CG2 3.33Å; Y198-T203 PolarHBondContact O-OG1 3.48Å; G200-T203 PolarHBondContact N-OG1 3.41Å; G200-T203 PolarHBondContact O-N 3.28Å; G200-T203 PolarHBondContact O-OG1 2.94Å; T203-K207 WeakPolarHBondContact O-CB 3.33Å; T203-K207 PolarHBondContact O-N 3.24Å
204	L	95.3	Very high	92	Very high	28 Å²	28	38.3 Å²	38.3	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-54.6	-57.7	171.1	177.7	61.5	0	0	0	111.6	L84 G200 K201 W202 K207 T208 V230 C233	L84-L204 HydrophobicContact CD1-CD1 4.16Å; G200-L204 PolarHBondContact O-N 3.25Å; G200-L204 VanDerWaalsContact O-N 3.13Å; K201-L204 WeakPolarHBondContact O-CB 3.45Å; K201-L204 PolarHBondContact O-N 2.97Å; W202-L204 VanDerWaalsContact C-N 3.35Å; L204-K207 PolarHBondContact O-N 3.17Å; L204-T208 HydrophobicContact CD1-CG2 4.23Å; L204-T208 WeakPolarHBondContact O-CG2 3.3Å; L204-T208 PolarHBondContact O-N 2.97Å; L204-T208 PolarHBondContact O-OG1 3.26Å; L204-V230 HydrophobicContact CD1-CB 4.4Å; L204-V230 HydrophobicContact CD1-CG1 3.72Å; L204-C233 HydrophobicContact CB-CB 3.9Å; L204-C233 HydrophobicContact CD1-CB 3.89Å; L204-C233 HydrophobicContact CG-CB 4.34Å
205	L	95.5	Very high	92.5	Very high	93 Å²	93	39.2 Å²	39.2	49%	0.487	20%	0.2	S	C	.	.	H	α-helix	trans	-63.7	-45.2	-175	-175.3	152.4	0	0	0	112.7	K201 W202 T208 V209	K201-L205 PolarHBondContact O-N 3.39Å; K201-L205 VanDerWaalsContact O-N 3.12Å; W202-L205 PolarHBondContact O-N 3.39Å; L205-T208 PolarHBondContact O-OG1 3.03Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 3.46Å
206	I	95.6	Very high	92.9	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-39.7	-179.1	-63.2	-64.2	0	0	0	110.4	L170 F174 A175 A178 W202 V209 T210	L170-I206 HydrophobicContact CB-CG2 4.5Å; F174-I206 HydrophobicContact CB-CD1 3.58Å; F174-I206 HydrophobicContact CB-CG1 3.72Å; F174-I206 HydrophobicContact CD2-CD1 4.15Å; F174-I206 HydrophobicContact CG-CD1 3.97Å; A175-I206 HydrophobicContact CB-CB 3.8Å; A175-I206 HydrophobicContact CB-CG1 3.91Å; A175-I206 HydrophobicContact CB-CG2 3.98Å; A178-I206 HydrophobicContact CB-CG2 4.42Å; W202-I206 WeakPolarHBondContact O-CB 3.33Å; W202-I206 WeakPolarHBondContact O-CG1 3.44Å; W202-I206 PolarHBondContact O-N 3.17Å; I206-V209 PolarHBondContact O-N 3.14Å; I206-T210 HydrophobicContact CG2-CG2 3.91Å; I206-T210 VanDerWaalsContact O-CB 3.28Å; I206-T210 WeakPolarHBondContact O-CB 3.49Å; I206-T210 VanDerWaalsContact O-CG2 3.22Å; I206-T210 WeakPolarHBondContact O-CG2 3.3Å; I206-T210 PolarHBondContact O-N 3.27Å; I206-T210 PolarHBondContact O-OG1 3.07Å
207	K	96.4	Very high	93.6	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-37.6	-179.6	-165.9	162.5	-174.2	142.8	0	111.8	A178 G180 S181 T203 L204 L211 H229 V230 P465	A178-K207 HydrophobicContact CB-CB 3.98Å; A178-K207 HydrophobicContact CB-CD 4.48Å; A178-K207 HydrophobicContact CB-CG 4.37Å; A178-K207 WeakPolarHBondContact O-CE 3.17Å; A178-K207 PolarHBondContact O-NZ 3.21Å; G180-K207 PolarHBondContact O-NZ 2.95Å; S181-K207 PolarHBondContact O-NZ 3.27Å; T203-K207 WeakPolarHBondContact O-CB 3.33Å; T203-K207 PolarHBondContact O-N 3.24Å; L204-K207 PolarHBondContact O-N 3.17Å; K207-L211 WeakPolarHBondContact O-CB 3.38Å; K207-L211 PolarHBondContact O-N 2.94Å; K207-H229 HydrophobicContact CD-CB 4.41Å; K207-H229 VanDerWaalsContact CD-ND1 3.28Å; K207-H229 WeakPolarHBondContact CD-ND1 3.36Å; K207-H229 PolarHBondContact NZ-ND1 3.02Å; K207-V230 HydrophobicContact CG-CG2 4.36Å; K207-P465 HydrophobicContact CG-CB 4.41Å; K207-P465 HydrophobicContact CG-CG 4.32Å
208	T	95.5	Very high	94	Very high	20 Å²	20	32 Å²	32	12%	0.123	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-49.2	175.9	53.9	0	0	0	0	111.8	I88 L204 L205 L211 V230	I88-T208 HydrophobicContact CD1-CG2 4.23Å; L204-T208 HydrophobicContact CD1-CG2 4.23Å; L204-T208 WeakPolarHBondContact O-CG2 3.3Å; L204-T208 PolarHBondContact O-N 2.97Å; L204-T208 PolarHBondContact O-OG1 3.26Å; L205-T208 PolarHBondContact O-OG1 3.03Å; T208-L211 PolarHBondContact O-N 3.48Å; T208-V230 HydrophobicContact CG2-CG1 3.79Å; T208-V230 HydrophobicContact CG2-CG2 4.02Å
209	V	96.1	Very high	94.2	Very high	68 Å²	68	32 Å²	32	41%	0.412	17%	0.166	S	C	.	.	H	α-helix	trans	-65.2	-45.1	179.6	175.3	0	0	0	0	111.8	L170 L205 I206 L211 V212 L213	L170-V209 HydrophobicContact CD1-CG1 4.1Å; L205-V209 WeakPolarHBondContact O-CG2 3.46Å; L205-V209 PolarHBondContact O-N 3.46Å; I206-V209 PolarHBondContact O-N 3.14Å; V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 PolarHBondContact O-N 2.7Å; V209-V212 PolarHBondContact O-N 3Å; V209-L213 HydrophobicContact CG1-CD1 4.16Å; V209-L213 PolarHBondContact O-N 3.18Å
210	T	95.7	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-73.1	-26.2	-177	55.9	0	0	0	0	112.6	L170 V171 I206 L213 V214 P465	L170-T210 HydrophobicContact CB-CG2 3.58Å; L170-T210 HydrophobicContact CD1-CG2 3.93Å; L170-T210 HydrophobicContact CG-CG2 4.42Å; V171-T210 HydrophobicContact CG2-CG2 3.8Å; I206-T210 HydrophobicContact CG2-CG2 3.91Å; I206-T210 VanDerWaalsContact O-CB 3.28Å; I206-T210 WeakPolarHBondContact O-CB 3.49Å; I206-T210 VanDerWaalsContact O-CG2 3.22Å; I206-T210 WeakPolarHBondContact O-CG2 3.3Å; I206-T210 PolarHBondContact O-N 3.27Å; I206-T210 PolarHBondContact O-OG1 3.07Å; T210-L213 PolarHBondContact O-N 2.96Å; T210-V214 WeakPolarHBondContact O-CB 3.33Å; T210-V214 WeakPolarHBondContact O-CG2 3.33Å; T210-V214 PolarHBondContact O-N 3.01Å; T210-P465 VanDerWaalsContact OG1-CG 3.28Å; T210-P465 WeakPolarHBondContact OG1-CG 3.5Å
211	L	95	Very high	94.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-44.7	173.2	-171.5	60.2	0	0	0	111.8	I88 K207 T208 V209 V214 V215 K223 P226 L227 P465	I88-L211 HydrophobicContact CD1-CD2 4.36Å; I88-L211 HydrophobicContact CG2-CD2 4.28Å; K207-L211 WeakPolarHBondContact O-CB 3.38Å; K207-L211 PolarHBondContact O-N 2.94Å; T208-L211 PolarHBondContact O-N 3.48Å; V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 PolarHBondContact O-N 2.7Å; L211-V214 PolarHBondContact O-N 3.13Å; L211-V215 HydrophobicContact CD1-CG2 4.42Å; L211-V215 WeakPolarHBondContact O-CG2 3.32Å; L211-V215 PolarHBondContact O-N 2.89Å; L211-V215 VanDerWaalsContact O-N 3.1Å; L211-K223 HydrophobicContact CD1-CB 4.24Å; L211-K223 HydrophobicContact CD2-CB 3.88Å; L211-K223 HydrophobicContact CG-CB 4.01Å; L211-P226 HydrophobicContact CD1-CB 3.56Å; L211-P226 HydrophobicContact CD1-CG 3.65Å; L211-P226 HydrophobicContact CD2-CB 3.78Å; L211-P226 HydrophobicContact CG-CB 4.29Å; L211-L227 HydrophobicContact CD2-CG 4.43Å; L211-P465 HydrophobicContact CD1-CB 4.13Å
212	V	95.9	Very high	94.3	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-57.1	-54	176.3	179.1	0	0	0	0	109.7	I88 A91 V92 M95 V209 V214 V215 S216	I88-V212 HydrophobicContact CB-CG2 4.47Å; I88-V212 HydrophobicContact CG1-CG2 4.34Å; I88-V212 HydrophobicContact CG2-CG2 4.23Å; A91-V212 HydrophobicContact CB-CG1 3.76Å; A91-V212 HydrophobicContact CB-CG2 4.03Å; V92-V212 HydrophobicContact CG2-CB 4.23Å; V92-V212 HydrophobicContact CG2-CG1 4.08Å; V92-V212 HydrophobicContact CG2-CG2 4.25Å; M95-V212 HydrophobicContact CB-CG1 4.48Å; M95-V212 HydrophobicContact CG-CG1 4.27Å; M95-V212 HydrophobicContact SD-CG1 3.5Å; M95-V212 WeakPolarHBondContact SD-CG1 3.33Å; V209-V212 PolarHBondContact O-N 3Å; V212-V214 PolarHBondContact O-N 2.65Å; V212-V215 PolarHBondContact O-N 3.12Å; V212-S216 WeakPolarHBondContact O-CB 3.48Å; V212-S216 PolarHBondContact O-N 2.91Å; V212-S216 PolarHBondContact O-OG 3.46Å
213	L	96.3	Very high	94.4	Very high	12 Å²	12	16.2 Å²	16.2	6%	0.063	10%	0.097	C	C	.	.	H	α-helix	trans	-59.5	-41.3	-178.6	-66	162.8	0	0	0	113.6	M95 F163 L166 A167 L170 V209 T210 S217	M95-L213 HydrophobicContact CE-CD2 3.48Å; M95-L213 VanDerWaalsContact CE-CD2 3.48Å; M95-L213 HydrophobicContact SD-CD2 4.37Å; F163-L213 HydrophobicContact CB-CD2 4.46Å; F163-L213 HydrophobicContact CD1-CD2 4.05Å; L166-L213 HydrophobicContact CD2-CD1 3.23Å; L166-L213 HydrophobicContact CD2-CD2 4.03Å; L166-L213 HydrophobicContact CD2-CG 4.28Å; L166-L213 HydrophobicContact CG-CD1 4.46Å; A167-L213 HydrophobicContact CB-CB 3.89Å; A167-L213 HydrophobicContact CB-CD1 4.49Å; L170-L213 HydrophobicContact CD1-CD1 4.08Å; V209-L213 HydrophobicContact CG1-CD1 4.16Å; V209-L213 PolarHBondContact O-N 3.18Å; T210-L213 PolarHBondContact O-N 2.96Å; L213-S217 WeakPolarHBondContact O-CB 3.2Å; L213-S217 PolarHBondContact O-N 2.6Å
214	V	95.5	Very high	94.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-67.5	-45.2	-179.3	170.4	0	0	0	0	111.1	A167 T210 L211 V212 S217 L219 L221 I464 P465	A167-V214 HydrophobicContact CB-CG2 3.63Å; T210-V214 WeakPolarHBondContact O-CB 3.33Å; T210-V214 WeakPolarHBondContact O-CG2 3.33Å; T210-V214 PolarHBondContact O-N 3.01Å; L211-V214 PolarHBondContact O-N 3.13Å; V212-V214 PolarHBondContact O-N 2.65Å; V214-S217 PolarHBondContact O-N 3.31Å; V214-S217 PolarHBondContact O-OG 3.01Å; V214-L219 HydrophobicContact CG1-CD1 4.38Å; V214-L221 HydrophobicContact CG1-CB 4.44Å; V214-L221 HydrophobicContact CG1-CD1 3.49Å; V214-L221 VanDerWaalsContact CG1-CD1 3.49Å; V214-I464 HydrophobicContact CG1-CD1 3.86Å; V214-I464 HydrophobicContact CG2-CB 3.96Å; V214-I464 HydrophobicContact CG2-CD1 4.13Å; V214-I464 HydrophobicContact CG2-CG1 4.49Å; V214-I464 HydrophobicContact CG2-CG2 4.41Å; V214-P465 WeakPolarHBondContact CG1-O 3.37Å
215	V	94.1	Very high	94	Very high	29 Å²	29	14.8 Å²	14.8	18%	0.176	9%	0.089	C	C	.	.	H	α-helix	trans	-66.8	-44	179.4	178.4	0	0	0	0	110	V92 L211 V212 S217 G218 K223	V92-V215 HydrophobicContact CG1-CB 4.21Å; V92-V215 HydrophobicContact CG1-CG1 3.59Å; V92-V215 HydrophobicContact CG2-CB 4.23Å; V92-V215 HydrophobicContact CG2-CG1 4.43Å; L211-V215 HydrophobicContact CD1-CG2 4.42Å; L211-V215 WeakPolarHBondContact O-CG2 3.32Å; L211-V215 PolarHBondContact O-N 2.89Å; L211-V215 VanDerWaalsContact O-N 3.1Å; V212-V215 PolarHBondContact O-N 3.12Å; V215-S217 PolarHBondContact O-N 2.66Å; V215-G218 PolarHBondContact O-N 3.42Å; V215-G218 VanDerWaalsContact O-N 3.1Å; V215-K223 HydrophobicContact CG2-CB 4.19Å
216	S	93.9	Very high	94	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64	-26.2	177.8	-55.8	0	0	0	0	113.4	V92 M95 T96 K99 V212 G218	V92-S216 PolarHBondContact O-OG 3.27Å; M95-S216 WeakPolarHBondContact CB-OG 3.41Å; T96-S216 WeakPolarHBondContact OG1-CA 3.48Å; T96-S216 PolarHBondContact OG1-OG 3.4Å; K99-S216 VanDerWaalsContact CD-O 3.28Å; K99-S216 WeakPolarHBondContact CD-O 3.22Å; K99-S216 WeakPolarHBondContact CE-O 3.45Å; K99-S216 PolarHBondContact NZ-O 3.49Å; V212-S216 WeakPolarHBondContact O-CB 3.48Å; V212-S216 PolarHBondContact O-N 2.91Å; V212-S216 PolarHBondContact O-OG 3.46Å; S216-G218 PolarHBondContact O-N 3.01Å
217	S	94.4	Very high	94	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.021	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.5	174.4	76.9	0	0	0	0	114.6	A160 L213 V214 V215 L219	A160-S217 WeakPolarHBondContact CB-O 3.22Å; L213-S217 WeakPolarHBondContact O-CB 3.2Å; L213-S217 PolarHBondContact O-N 2.6Å; V214-S217 PolarHBondContact O-N 3.31Å; V214-S217 PolarHBondContact O-OG 3.01Å; V215-S217 PolarHBondContact O-N 2.66Å; S217-L219 VanDerWaalsContact C-N 3.28Å; S217-L219 PolarHBondContact O-N 3.17Å; S217-L219 WeakPolarHBondContact OG-CD1 3.16Å; S217-L219 WeakPolarHBondContact OG-CG 3.49Å
218	G	90.8	Very high	94	Very high	24 Å²	24	10 Å²	10	25%	0.247	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	9.1	179.4	0	0	0	0	0	114.3	V215 S216	V215-G218 PolarHBondContact O-N 3.42Å; V215-G218 VanDerWaalsContact O-N 3.1Å; S216-G218 PolarHBondContact O-N 3.01Å
219	L	92.6	Very high	94	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.021	6%	0.058	C	C	.	.			trans	-59.6	146.8	168.5	-74.6	170.7	0	0	0	110.2	V214 S217 L221 I376 T377 T459 M462 I464	V214-L219 HydrophobicContact CG1-CD1 4.38Å; S217-L219 VanDerWaalsContact C-N 3.28Å; S217-L219 PolarHBondContact O-N 3.17Å; S217-L219 WeakPolarHBondContact OG-CD1 3.16Å; S217-L219 WeakPolarHBondContact OG-CG 3.49Å; L219-L221 HydrophobicContact CB-CD1 3.97Å; L219-L221 HydrophobicContact CB-CG 4.15Å; L219-L221 HydrophobicContact CD1-CD1 4.17Å; L219-L221 PolarHBondContact O-N 3.49Å; L219-I376 HydrophobicContact CD2-CG2 4.1Å; L219-T377 WeakPolarHBondContact CD2-OG1 3.43Å; L219-T459 HydrophobicContact CD2-CG2 4.03Å; L219-M462 HydrophobicContact CD1-CE 3.91Å; L219-M462 HydrophobicContact CD2-CE 4.09Å; L219-I464 HydrophobicContact CD1-CD1 3.61Å
220	S	92.6	Very high	94.1	Very high	2 Å²	2	6 Å²	6	1%	0.014	4%	0.04	C	C	.	.	S	Bend	trans	-75.7	72.1	177.8	-161.1	0	0	0	0	111.1	K452 T456 T459 P471	S220-K452 WeakPolarHBondContact OG-CD 3.37Å; S220-T456 WeakPolarHBondContact OG-CG2 3.32Å; S220-T459 PolarHBondContact O-OG1 3.4Å; S220-T459 VanDerWaalsContact O-OG1 3.05Å; S220-P471 WeakPolarHBondContact O-CG 3.33Å
221	L	92.8	Very high	94.1	Very high	8 Å²	8	6.1 Å²	6.1	4%	0.042	4%	0.041	C	C	.	.			trans	-142.1	155.7	-175.2	-64.5	176.1	0	0	0	109.2	V214 L219 M462 I464 S466	V214-L221 HydrophobicContact CG1-CB 4.44Å; V214-L221 HydrophobicContact CG1-CD1 3.49Å; V214-L221 VanDerWaalsContact CG1-CD1 3.49Å; L219-L221 HydrophobicContact CB-CD1 3.97Å; L219-L221 HydrophobicContact CB-CG 4.15Å; L219-L221 HydrophobicContact CD1-CD1 4.17Å; L219-L221 PolarHBondContact O-N 3.49Å; L221-M462 HydrophobicContact CD1-CE 4.39Å; L221-I464 HydrophobicContact CD1-CD1 3.75Å; L221-I464 HydrophobicContact CD1-CG1 4.35Å; L221-S466 VanDerWaalsContact CD2-CB 3.44Å
222	G	91.3	Very high	94.2	Very high	4 Å²	4	6.1 Å²	6.1	4%	0.041	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-120.1	162.2	176.8	0	0	0	0	0	113.9	G467	G222-G467 PolarHBondContact N-O 2.88Å; G222-G467 WeakPolarHBondContact O-CA 3.27Å; G222-G467 PolarHBondContact O-N 3.44Å
223	K	92.4	Very high	94.2	Very high	13 Å²	13	5.6 Å²	5.6	6%	0.057	4%	0.037	C	C	.	.	S	Bend	trans	-83.4	-24.5	175	58.1	-170.6	173.4	-176.3	0	114.4	I88 D89 L211 V215 G225 P226 L227	I88-K223 HydrophobicContact CG2-CD 4.21Å; D89-K223 WeakPolarHBondContact OD1-CD 3.3Å; D89-K223 WeakPolarHBondContact OD1-CE 3.3Å; D89-K223 IonicContact OD1-NZ 3.9Å; D89-K223 PolarHBondContact OD1-NZ 2.96Å; L211-K223 HydrophobicContact CD1-CB 4.24Å; L211-K223 HydrophobicContact CD2-CB 3.88Å; L211-K223 HydrophobicContact CG-CB 4.01Å; V215-K223 HydrophobicContact CG2-CB 4.19Å; K223-G225 PolarHBondContact O-N 3.22Å; K223-P226 VanDerWaalsContact O-CD 3.26Å; K223-P226 WeakPolarHBondContact O-CD 3.25Å; K223-L227 HydrophobicContact CG-CD1 4.33Å; K223-L227 WeakPolarHBondContact O-CG 3.49Å; K223-L227 PolarHBondContact O-N 3.08Å
224	E	90.8	Very high	94.2	Very high	5 Å²	5	5 Å²	5	2%	0.023	3%	0.034	C	C	.	.	H	α-helix	trans	-59.7	-43.5	-169.2	-46.4	-39.4	143.8	0	0	115.2	L227 A267 F268 F469 I470	E224-L227 PolarHBondContact O-N 3.17Å; E224-A267 HydrophobicContact CB-CB 3.9Å; E224-A267 HydrophobicContact CG-CB 4.35Å; E224-A267 VanDerWaalsContact OE2-C 3.28Å; E224-A267 WeakPolarHBondContact OE2-CA 3.32Å; E224-A267 WeakPolarHBondContact OE2-CB 3.46Å; E224-F268 HydrophobicContact CB-CE1 4.36Å; E224-F268 HydrophobicContact CB-CE2 4.26Å; E224-F268 HydrophobicContact CB-CZ 3.94Å; E224-F268 HydrophobicContact CG-CE1 3.93Å; E224-F268 HydrophobicContact CG-CZ 4.02Å; E224-F469 HydrophobicContact CB-CB 4.4Å; E224-F469 HydrophobicContact CB-CD2 3.87Å; E224-I470 HydrophobicContact CG-CD1 4.19Å; E224-I470 HydrophobicContact CG-CG1 3.66Å
225	G	91.5	Very high	94.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-63.7	-54.5	177.1	0	0	0	0	0	112.3	K223 L227 V228	K223-G225 PolarHBondContact O-N 3.22Å; G225-L227 VanDerWaalsContact C-N 3.26Å; G225-L227 PolarHBondContact O-N 2.65Å; G225-V228 WeakPolarHBondContact O-CB 3.48Å; G225-V228 PolarHBondContact O-N 2.85Å; G225-V228 VanDerWaalsContact O-N 3.16Å
226	P	95.4	Very high	94.3	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-55.1	-32	173.6	-33.1	39.4	0	0	0	115.7	S181 L211 K223 V228 H229 V230 P465	S181-P226 WeakPolarHBondContact O-CA 2.91Å; L211-P226 HydrophobicContact CD1-CB 3.56Å; L211-P226 HydrophobicContact CD1-CG 3.65Å; L211-P226 HydrophobicContact CD2-CB 3.78Å; L211-P226 HydrophobicContact CG-CB 4.29Å; K223-P226 VanDerWaalsContact O-CD 3.26Å; K223-P226 WeakPolarHBondContact O-CD 3.25Å; P226-V228 VanDerWaalsContact C-N 3.26Å; P226-V228 PolarHBondContact O-N 3.15Å; P226-H229 WeakPolarHBondContact O-CA 3.33Å; P226-H229 WeakPolarHBondContact O-CB 3.38Å; P226-H229 PolarHBondContact O-N 3.28Å; P226-V230 WeakPolarHBondContact O-CG2 3.14Å; P226-V230 PolarHBondContact O-N 3.35Å; P226-P465 HydrophobicContact CG-CB 4.46Å
227	L	95.1	Very high	94.3	Very high	4 Å²	4	8 Å²	8	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-60.7	-34.2	175.8	-78.3	173.5	0	0	0	112.6	A85 I88 L211 K223 E224 G225 H229 V230 A231 A267	A85-L227 HydrophobicContact CB-CD2 4.23Å; I88-L227 HydrophobicContact CD1-CD2 3.63Å; L211-L227 HydrophobicContact CD2-CG 4.43Å; K223-L227 HydrophobicContact CG-CD1 4.33Å; K223-L227 WeakPolarHBondContact O-CG 3.49Å; K223-L227 PolarHBondContact O-N 3.08Å; E224-L227 PolarHBondContact O-N 3.17Å; G225-L227 VanDerWaalsContact C-N 3.26Å; G225-L227 PolarHBondContact O-N 2.65Å; L227-H229 VanDerWaalsContact C-N 3.3Å; L227-H229 PolarHBondContact O-N 2.93Å; L227-V230 PolarHBondContact O-N 2.91Å; L227-A231 WeakPolarHBondContact O-CB 3.4Å; L227-A231 PolarHBondContact O-N 2.93Å; L227-A267 HydrophobicContact CB-CB 4.43Å; L227-A267 HydrophobicContact CD1-CB 4.05Å
228	V	96.2	Very high	94.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-59	-44	171.9	-172.4	0	0	0	0	110.7	I183 I186 G225 P226 A231 C232 A260 V264	I183-V228 HydrophobicContact CD1-CG2 4.43Å; I183-V228 HydrophobicContact CG1-CB 4.34Å; I186-V228 HydrophobicContact CD1-CG1 4.34Å; G225-V228 WeakPolarHBondContact O-CB 3.48Å; G225-V228 PolarHBondContact O-N 2.85Å; G225-V228 VanDerWaalsContact O-N 3.16Å; P226-V228 VanDerWaalsContact C-N 3.26Å; P226-V228 PolarHBondContact O-N 3.15Å; V228-A231 PolarHBondContact O-N 2.96Å; V228-C232 PolarHBondContact O-N 3.45Å; V228-C232 PolarHBondContact O-SG 3.48Å; V228-C232 VanDerWaalsContact O-SG 3.38Å; V228-A260 HydrophobicContact CG1-CB 3.81Å; V228-V264 HydrophobicContact CG2-CG2 3.45Å; V228-V264 VanDerWaalsContact CG2-CG2 3.45Å
229	H	96.3	Very high	94.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-68.2	-43.1	177.7	-174.3	-150.5	0	0	0	112.7	I186 Y198 K207 P226 L227 A231 C232 C233	I186-H229 HydrophobicContact CD1-CB 3.82Å; Y198-H229 AromaticContact CD1-CE1 3.97Å; Y198-H229 AromaticContact CD1-NE2 3.39Å; Y198-H229 WeakPolarHBondContact CD1-NE2 3.35Å; Y198-H229 AromaticContact CE1-CD2 3.55Å; Y198-H229 AromaticContact CE1-CE1 3.38Å; Y198-H229 WeakPolarHBondContact CE1-CE1 3.19Å; Y198-H229 AromaticContact CE1-NE2 3Å; Y198-H229 WeakPolarHBondContact CE1-NE2 3.31Å; Y198-H229 AromaticContact CZ-CE1 3.4Å; Y198-H229 AromaticContact CZ-ND1 3.97Å; Y198-H229 AromaticContact CZ-NE2 3.57Å; Y198-H229 PolarHBondContact O-NE2 3.28Å; K207-H229 HydrophobicContact CD-CB 4.41Å; K207-H229 VanDerWaalsContact CD-ND1 3.28Å; K207-H229 WeakPolarHBondContact CD-ND1 3.36Å; K207-H229 PolarHBondContact NZ-ND1 3.02Å; P226-H229 WeakPolarHBondContact O-CA 3.33Å; P226-H229 WeakPolarHBondContact O-CB 3.38Å; P226-H229 PolarHBondContact O-N 3.28Å; L227-H229 VanDerWaalsContact C-N 3.3Å; L227-H229 PolarHBondContact O-N 2.93Å; H229-A231 VanDerWaalsContact C-N 3.3Å; H229-A231 PolarHBondContact O-N 3.27Å; H229-C232 PolarHBondContact O-N 3.42Å; H229-C233 PolarHBondContact NE2-SG 3.46Å; H229-C233 PolarHBondContact O-N 2.82Å; H229-C233 PolarHBondContact O-SG 2.99Å; H229-C233 VanDerWaalsContact O-SG 3.39Å
230	V	96.8	Very high	94.2	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.018	6%	0.055	C	C	.	.	H	α-helix	trans	-56.1	-46.4	174.8	169.1	0	0	0	0	110.3	L84 L204 K207 T208 P226 L227 C233 C234	L84-V230 HydrophobicContact CD1-CG1 4.09Å; L204-V230 HydrophobicContact CD1-CB 4.4Å; L204-V230 HydrophobicContact CD1-CG1 3.72Å; K207-V230 HydrophobicContact CG-CG2 4.36Å; T208-V230 HydrophobicContact CG2-CG1 3.79Å; T208-V230 HydrophobicContact CG2-CG2 4.02Å; P226-V230 WeakPolarHBondContact O-CG2 3.14Å; P226-V230 PolarHBondContact O-N 3.35Å; L227-V230 PolarHBondContact O-N 2.91Å; V230-C233 WeakPolarHBondContact O-CB 3.23Å; V230-C233 PolarHBondContact O-N 3.24Å; V230-C234 PolarHBondContact O-N 2.99Å; V230-C234 PolarHBondContact O-SG 3.02Å
231	A	97.1	Very high	94.1	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.017	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-42.9	176.8	0	0	0	0	0	112.4	A81 L227 V228 H229 C233 C234 G235 A259 G263	A81-A231 HydrophobicContact CB-CB 4.17Å; L227-A231 WeakPolarHBondContact O-CB 3.4Å; L227-A231 PolarHBondContact O-N 2.93Å; V228-A231 PolarHBondContact O-N 2.96Å; H229-A231 VanDerWaalsContact C-N 3.3Å; H229-A231 PolarHBondContact O-N 3.27Å; A231-C233 VanDerWaalsContact C-N 3.31Å; A231-C233 PolarHBondContact O-N 3.04Å; A231-C234 VanDerWaalsContact O-CB 3.32Å; A231-C234 WeakPolarHBondContact O-CB 3.32Å; A231-C234 PolarHBondContact O-N 2.72Å; A231-C234 VanDerWaalsContact O-N 3.15Å; A231-G235 PolarHBondContact O-N 3.04Å; A231-A259 WeakPolarHBondContact CB-O 3.49Å; A231-A259 WeakPolarHBondContact O-CB 3.09Å; A231-G263 VanDerWaalsContact CB-CA 3.48Å
232	C	96.8	Very high	93.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-36	173.8	-71.3	0	0	0	0	113	I186 L199 V228 H229 G235 N236 L256	I186-C232 HydrophobicContact CD1-CB 4.16Å; I186-C232 HydrophobicContact CG1-CB 4.44Å; L199-C232 HydrophobicContact CD2-CB 3.95Å; V228-C232 PolarHBondContact O-N 3.45Å; V228-C232 PolarHBondContact O-SG 3.48Å; V228-C232 VanDerWaalsContact O-SG 3.38Å; H229-C232 PolarHBondContact O-N 3.42Å; C232-G235 WeakPolarHBondContact O-CA 3.47Å; C232-G235 PolarHBondContact O-N 2.86Å; C232-N236 PolarHBondContact O-N 2.75Å; C232-L256 HydrophobicContact CB-CD2 4.35Å; C232-L256 VanDerWaalsContact O-CD2 3.28Å; C232-L256 WeakPolarHBondContact O-CD2 3.37Å; C232-L256 PolarHBondContact SG-O 2.97Å
233	C	96.1	Very high	93.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-41.5	172.6	-71.9	0	0	0	0	111.8	L204 H229 V230 A231 G235 N236 F237	L204-C233 HydrophobicContact CB-CB 3.9Å; L204-C233 HydrophobicContact CD1-CB 3.89Å; L204-C233 HydrophobicContact CG-CB 4.34Å; H229-C233 PolarHBondContact NE2-SG 3.46Å; H229-C233 PolarHBondContact O-N 2.82Å; H229-C233 PolarHBondContact O-SG 2.99Å; H229-C233 VanDerWaalsContact O-SG 3.39Å; V230-C233 WeakPolarHBondContact O-CB 3.23Å; V230-C233 PolarHBondContact O-N 3.24Å; A231-C233 VanDerWaalsContact C-N 3.31Å; A231-C233 PolarHBondContact O-N 3.04Å; C233-G235 VanDerWaalsContact C-N 3.31Å; C233-G235 PolarHBondContact O-N 3.42Å; C233-N236 PolarHBondContact O-N 2.96Å; C233-F237 WeakPolarHBondContact O-CB 3.45Å; C233-F237 PolarHBondContact O-N 3.38Å
234	C	96.2	Very high	93.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-42.9	170.5	-62.7	0	0	0	0	111.3	L80 L84 V230 A231 N236 F237 F238	L80-C234 HydrophobicContact CD2-CB 3.97Å; L80-C234 HydrophobicContact CG-CB 4.41Å; L84-C234 VanDerWaalsContact CD1-SG 3.58Å; V230-C234 PolarHBondContact O-N 2.99Å; V230-C234 PolarHBondContact O-SG 3.02Å; A231-C234 VanDerWaalsContact O-CB 3.32Å; A231-C234 WeakPolarHBondContact O-CB 3.32Å; A231-C234 PolarHBondContact O-N 2.72Å; A231-C234 VanDerWaalsContact O-N 3.15Å; C234-N236 PolarHBondContact O-N 2.92Å; C234-F237 WeakPolarHBondContact O-CB 3.38Å; C234-F237 PolarHBondContact O-N 2.79Å; C234-F238 VanDerWaalsContact O-CD2 3.27Å; C234-F238 WeakPolarHBondContact O-CD2 3.36Å; C234-F238 PolarHBondContact O-N 2.71Å
235	G	95.5	Very high	93.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-45	174.3	0	0	0	0	0	113.1	A231 C232 C233 S239	A231-G235 PolarHBondContact O-N 3.04Å; C232-G235 WeakPolarHBondContact O-CA 3.47Å; C232-G235 PolarHBondContact O-N 2.86Å; C233-G235 VanDerWaalsContact C-N 3.31Å; C233-G235 PolarHBondContact O-N 3.42Å; G235-S239 WeakPolarHBondContact O-CB 3.29Å; G235-S239 PolarHBondContact O-N 2.95Å; G235-S239 PolarHBondContact O-OG 2.77Å
236	N	95	Very high	93	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.144	14%	0.139	C	C	.	.	H	α-helix	trans	-67.4	-39.1	176.4	-172.9	54.3	0	0	0	112.1	L199 C232 C233 C234 S239 S240 R252 L256	L199-N236 HydrophobicContact CB-CB 3.78Å; L199-N236 HydrophobicContact CD1-CB 4.23Å; L199-N236 PolarHBondContact O-ND2 2.94Å; C232-N236 PolarHBondContact O-N 2.75Å; C233-N236 PolarHBondContact O-N 2.96Å; C234-N236 PolarHBondContact O-N 2.92Å; N236-S239 PolarHBondContact O-N 3.47Å; N236-S240 PolarHBondContact O-N 2.88Å; N236-R252 PolarHBondContact OD1-NH1 2.95Å; N236-L256 HydrophobicContact CB-CD2 4.14Å
237	F	94.6	Very high	92.5	Very high	65 Å²	65	31.8 Å²	31.8	29%	0.285	17%	0.17	S	C	.	.	H	α-helix	trans	-57.1	-54.5	175.1	175.8	-99.3	0	0	0	111.3	K201 C233 C234 S240 L241	K201-F237 HydrophobicContact CD-CD2 4.12Å; K201-F237 HydrophobicContact CD-CE2 4.2Å; K201-F237 HydrophobicContact CG-CD2 4.17Å; C233-F237 WeakPolarHBondContact O-CB 3.45Å; C233-F237 PolarHBondContact O-N 3.38Å; C234-F237 WeakPolarHBondContact O-CB 3.38Å; C234-F237 PolarHBondContact O-N 2.79Å; F237-S240 PolarHBondContact O-N 3.22Å; F237-S240 PolarHBondContact O-OG 2.96Å; F237-L241 HydrophobicContact CE1-CD1 4.2Å
238	F	94.4	Very high	92.1	Very high	25 Å²	25	32.2 Å²	32.2	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-68.5	-37.1	178.5	-70.8	-64.6	0	0	0	112.6	V73 L76 I77 L80 C234 S240 L241 F242	V73-F238 HydrophobicContact CG1-CB 4.43Å; L76-F238 HydrophobicContact CB-CD1 3.94Å; L76-F238 HydrophobicContact CB-CD2 4.13Å; L76-F238 HydrophobicContact CB-CE1 3.81Å; L76-F238 HydrophobicContact CB-CE2 3.97Å; L76-F238 HydrophobicContact CB-CG 4.12Å; L76-F238 HydrophobicContact CB-CZ 3.83Å; L76-F238 HydrophobicContact CD1-CD1 3.9Å; L76-F238 HydrophobicContact CD1-CE1 3.99Å; L76-F238 HydrophobicContact CG-CE1 4.34Å; L76-F238 WeakPolarHBondContact O-CE2 3.43Å; I77-F238 HydrophobicContact CG1-CB 4.3Å; I77-F238 HydrophobicContact CG1-CD2 3.78Å; I77-F238 HydrophobicContact CG1-CG 4.43Å; L80-F238 HydrophobicContact CB-CE2 3.84Å; L80-F238 HydrophobicContact CB-CZ 4.27Å; L80-F238 HydrophobicContact CD2-CE2 3.52Å; L80-F238 HydrophobicContact CD2-CZ 3.89Å; L80-F238 HydrophobicContact CG-CE2 4.33Å; C234-F238 VanDerWaalsContact O-CD2 3.27Å; C234-F238 WeakPolarHBondContact O-CD2 3.36Å; C234-F238 PolarHBondContact O-N 2.71Å; F238-S240 PolarHBondContact O-N 3.28Å; F238-L241 HydrophobicContact CD1-CD1 3.97Å; F238-L241 HydrophobicContact CE1-CD1 4.5Å; F238-L241 WeakPolarHBondContact O-CB 3.23Å; F238-L241 PolarHBondContact O-N 3.41Å; F238-F242 WeakPolarHBondContact O-CD2 3.33Å
239	S	92.3	Very high	91.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-32.2	175.3	-64.4	0	0	0	0	112.6	G235 N236 L241 F242 S246 V255	G235-S239 WeakPolarHBondContact O-CB 3.29Å; G235-S239 PolarHBondContact O-N 2.95Å; G235-S239 PolarHBondContact O-OG 2.77Å; N236-S239 PolarHBondContact O-N 3.47Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 2.7Å; S239-F242 VanDerWaalsContact O-O 3.08Å; S239-S246 PolarHBondContact O-N 2.82Å; S239-V255 WeakPolarHBondContact OG-CG1 3.44Å
240	S	89.1	Confident	91.2	Very high	53 Å²	53	33.5 Å²	33.5	37%	0.371	18%	0.18	S	C	.	.	H	α-helix	trans	-70.1	-26.6	177.9	76.6	0	0	0	0	113.6	N236 F237 F238	N236-S240 PolarHBondContact O-N 2.88Å; F237-S240 PolarHBondContact O-N 3.22Å; F237-S240 PolarHBondContact O-OG 2.96Å; F238-S240 PolarHBondContact O-N 3.28Å
241	L	89.9	Confident	90.8	Very high	109 Å²	109	35.1 Å²	35.1	57%	0.571	19%	0.187	S	C	*	.	H	α-helix	trans	-75.2	-26.9	179.4	-62.9	174.9	0	0	0	112.5	F237 F238 S239	F237-L241 HydrophobicContact CE1-CD1 4.2Å; F238-L241 HydrophobicContact CD1-CD1 3.97Å; F238-L241 HydrophobicContact CE1-CD1 4.5Å; F238-L241 WeakPolarHBondContact O-CB 3.23Å; F238-L241 PolarHBondContact O-N 3.41Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 2.7Å
242	F	89.2	Confident	90.6	Very high	61 Å²	61	37.7 Å²	37.7	27%	0.268	20%	0.196	S	C	.	.	S	Bend	trans	-103.1	116.3	-179.5	-67.7	-88.9	0	0	0	110.7	V72 V73 F238 S239 K244 Y245 S246	V72-F242 HydrophobicContact CG1-CZ 4.37Å; V73-F242 HydrophobicContact CG2-CD1 4.49Å; V73-F242 HydrophobicContact CG2-CD2 3.32Å; V73-F242 HydrophobicContact CG2-CE2 3.4Å; V73-F242 HydrophobicContact CG2-CG 3.92Å; V73-F242 HydrophobicContact CG2-CZ 4.03Å; F238-F242 WeakPolarHBondContact O-CD2 3.33Å; S239-F242 VanDerWaalsContact O-O 3.08Å; F242-K244 PolarHBondContact O-N 3.33Å; F242-Y245 HydrophobicContact CB-CD2 3.88Å; F242-Y245 PolarHBondContact O-N 2.97Å; F242-S246 WeakPolarHBondContact O-CB 3.25Å; F242-S246 PolarHBondContact O-N 2.74Å
243	S	84.9	Confident	90.3	Very high	84 Å²	84	37.9 Å²	37.9	59%	0.587	20%	0.197	S	C	*	.	H	α-helix	trans	-56.4	-29.1	-178.1	64.7	0	0	0	0	113.9	Y245 K247	S243-Y245 VanDerWaalsContact C-N 3.35Å; S243-Y245 PolarHBondContact O-N 3.4Å; S243-K247 WeakPolarHBondContact O-CB 3.46Å; S243-K247 WeakPolarHBondContact O-CG 3.29Å; S243-K247 PolarHBondContact O-N 2.97Å; S243-K247 VanDerWaalsContact O-N 3.13Å
244	K	86.9	Confident	90.1	Very high	25 Å²	25	39.2 Å²	39.2	11%	0.109	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-44.1	173.1	174.3	173.6	-172.8	157.2	0	113.2	R45 D66 S69 F242	R45-K244 VanDerWaalsContact NH2-CE 3.34Å; D66-K244 PolarHBondContact O-NZ 3.24Å; D66-K244 IonicContact OD1-NZ 3.84Å; D66-K244 IonicContact OD2-NZ 3.94Å; D66-K244 PolarHBondContact OD2-NZ 3.49Å; S69-K244 WeakPolarHBondContact OG-CD 3.4Å; F242-K244 PolarHBondContact O-N 3.33Å
245	Y	89.3	Confident	90.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-94.1	-34.5	-177	-61	-72.9	0	0	0	111.4	G70 V73 F242 S243 K247 N248 K251 V255	G70-Y245 WeakPolarHBondContact CA-OH 3.28Å; G70-Y245 PolarHBondContact N-OH 3.47Å; V73-Y245 HydrophobicContact CG2-CD2 4.2Å; V73-Y245 HydrophobicContact CG2-CE2 3.96Å; F242-Y245 HydrophobicContact CB-CD2 3.88Å; F242-Y245 PolarHBondContact O-N 2.97Å; S243-Y245 VanDerWaalsContact C-N 3.35Å; S243-Y245 PolarHBondContact O-N 3.4Å; Y245-K247 PolarHBondContact O-N 2.93Å; Y245-N248 PolarHBondContact O-N 3.28Å; Y245-N248 VanDerWaalsContact O-O 3.11Å; Y245-K251 HydrophobicContact CD1-CB 3.87Å; Y245-K251 HydrophobicContact CE1-CB 4.23Å; Y245-V255 HydrophobicContact CD1-CG2 3.45Å; Y245-V255 VanDerWaalsContact CD1-CG2 3.45Å; Y245-V255 HydrophobicContact CE1-CG2 3.56Å; Y245-V255 HydrophobicContact CG-CG2 4.03Å
246	S	86.8	Confident	90.1	Very high	58 Å²	58	39.5 Å²	39.5	41%	0.406	20%	0.204	S	C	.	.	H	α-helix	trans	-63.6	-36.8	178.4	-175.2	0	0	0	0	113.1	S239 F242	S239-S246 PolarHBondContact O-N 2.82Å; F242-S246 WeakPolarHBondContact O-CB 3.25Å; F242-S246 PolarHBondContact O-N 2.74Å
247	K	83.6	Confident	90.1	Very high	149 Å²	149	38.4 Å²	38.4	65%	0.648	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.9	-178.2	-63.8	-174.4	177.2	-172.3	0	114.9	S243 Y245	S243-K247 WeakPolarHBondContact O-CB 3.46Å; S243-K247 WeakPolarHBondContact O-CG 3.29Å; S243-K247 PolarHBondContact O-N 2.97Å; S243-K247 VanDerWaalsContact O-N 3.13Å; Y245-K247 PolarHBondContact O-N 2.93Å
248	N	87.2	Confident	90.2	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.07	19%	0.185	C	C	.	.			trans	-127.5	108.2	-178.3	-174.9	-44	0	0	0	110.3	E38 Y245 G250 K251 R252	E38-N248 PolarHBondContact O-ND2 3.16Å; E38-N248 VanDerWaalsContact O-ND2 3.15Å; E38-N248 WeakPolarHBondContact OE2-CA 3.41Å; E38-N248 VanDerWaalsContact OE2-CG 3.29Å; E38-N248 PolarHBondContact OE2-OD1 3.13Å; Y245-N248 PolarHBondContact O-N 3.28Å; Y245-N248 VanDerWaalsContact O-O 3.11Å; N248-G250 VanDerWaalsContact C-N 3.32Å; N248-G250 PolarHBondContact O-N 3.26Å; N248-G250 WeakPolarHBondContact OD1-CA 3.41Å; N248-G250 PolarHBondContact OD1-N 3.23Å; N248-K251 HydrophobicContact CB-CB 4.14Å; N248-K251 HydrophobicContact CB-CG 4.33Å; N248-K251 PolarHBondContact O-N 2.98Å; N248-K251 PolarHBondContact OD1-N 3.11Å; N248-R252 WeakPolarHBondContact O-CB 3.21Å; N248-R252 PolarHBondContact O-N 2.8Å
249	E	85.4	Confident	90.3	Very high	19 Å²	19	34.1 Å²	34.1	9%	0.089	18%	0.18	C	C	.	.	H	α-helix	trans	-67.8	-28.9	-175.8	-78.3	-60.4	156.9	0	0	114	Y27 I33 E38 R252 R253	Y27-E249 HydrophobicContact CD2-CG 3.76Å; Y27-E249 HydrophobicContact CE2-CB 4.18Å; Y27-E249 HydrophobicContact CE2-CG 3.86Å; I33-E249 HydrophobicContact CG2-CB 3.94Å; I33-E249 HydrophobicContact CG2-CG 4.29Å; E38-E249 PolarHBondContact OE2-N 2.8Å; E249-R252 IonicContact OE1-CZ 3.68Å; E249-R252 VanDerWaalsContact OE1-CZ 3.24Å; E249-R252 IonicContact OE1-NE 2.66Å; E249-R252 PolarHBondContact OE1-NE 2.82Å; E249-R252 IonicContact OE1-NH2 3.9Å; E249-R252 PolarHBondContact OE1-NH2 3.33Å; E249-R252 IonicContact OE2-CZ 3.56Å; E249-R252 VanDerWaalsContact OE2-CZ 3.3Å; E249-R252 IonicContact OE2-NE 3.12Å; E249-R252 PolarHBondContact OE2-NE 3.08Å; E249-R252 IonicContact OE2-NH2 3.99Å; E249-R252 PolarHBondContact OE2-NH2 2.84Å; E249-R253 WeakPolarHBondContact O-CG 3.36Å; E249-R253 PolarHBondContact O-N 3.46Å; E249-R253 PolarHBondContact O-NH1 3.29Å; E249-R253 IonicContact OE2-CZ 3.39Å; E249-R253 IonicContact OE2-NH1 2.71Å; E249-R253 PolarHBondContact OE2-NH1 2.64Å
250	G	87.6	Confident	90.5	Very high	7 Å²	7	34.1 Å²	34.1	7%	0.072	18%	0.18	C	C	.	.	H	α-helix	trans	-69.9	-46.2	174.8	0	0	0	0	0	111.2	N248 R252 R253 E254	N248-G250 VanDerWaalsContact C-N 3.32Å; N248-G250 PolarHBondContact O-N 3.26Å; N248-G250 WeakPolarHBondContact OD1-CA 3.41Å; N248-G250 PolarHBondContact OD1-N 3.23Å; G250-R252 VanDerWaalsContact C-N 3.35Å; G250-R252 PolarHBondContact O-N 3.07Å; G250-R253 PolarHBondContact O-N 2.89Å; G250-E254 PolarHBondContact O-N 3.41Å
251	K	89.2	Confident	90.8	Very high	38 Å²	38	31.6 Å²	31.6	17%	0.165	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-35.6	175.2	-70.9	-54.2	-171.2	-170.3	0	112.8	D42 Y245 N248 R253 E254 V255	D42-K251 WeakPolarHBondContact OD2-CE 3.38Å; D42-K251 IonicContact OD2-NZ 2.78Å; Y245-K251 HydrophobicContact CD1-CB 3.87Å; Y245-K251 HydrophobicContact CE1-CB 4.23Å; N248-K251 HydrophobicContact CB-CB 4.14Å; N248-K251 HydrophobicContact CB-CG 4.33Å; N248-K251 PolarHBondContact O-N 2.98Å; N248-K251 PolarHBondContact OD1-N 3.11Å; K251-R253 VanDerWaalsContact C-N 3.29Å; K251-R253 PolarHBondContact O-N 3.5Å; K251-E254 VanDerWaalsContact CD-OE2 3.23Å; K251-E254 WeakPolarHBondContact CD-OE2 3.41Å; K251-E254 IonicContact NZ-OE1 2.62Å; K251-E254 PolarHBondContact NZ-OE1 2.99Å; K251-E254 IonicContact NZ-OE2 2.77Å; K251-E254 PolarHBondContact NZ-OE2 3.07Å; K251-E254 WeakPolarHBondContact O-CB 3.32Å; K251-E254 PolarHBondContact O-N 3.11Å; K251-V255 PolarHBondContact O-N 3.3Å
252	R	91.7	Very high	91.2	Very high	55 Å²	55	26.4 Å²	26.4	21%	0.208	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-41.5	173	-168.7	162.9	72.1	143.9	-5.6	111.8	N236 N248 E249 G250 V255 L256	N236-R252 PolarHBondContact OD1-NH1 2.95Å; N248-R252 WeakPolarHBondContact O-CB 3.21Å; N248-R252 PolarHBondContact O-N 2.8Å; E249-R252 IonicContact OE1-CZ 3.68Å; E249-R252 VanDerWaalsContact OE1-CZ 3.24Å; E249-R252 IonicContact OE1-NE 2.66Å; E249-R252 PolarHBondContact OE1-NE 2.82Å; E249-R252 IonicContact OE1-NH2 3.9Å; E249-R252 PolarHBondContact OE1-NH2 3.33Å; E249-R252 IonicContact OE2-CZ 3.56Å; E249-R252 VanDerWaalsContact OE2-CZ 3.3Å; E249-R252 IonicContact OE2-NE 3.12Å; E249-R252 PolarHBondContact OE2-NE 3.08Å; E249-R252 IonicContact OE2-NH2 3.99Å; E249-R252 PolarHBondContact OE2-NH2 2.84Å; G250-R252 VanDerWaalsContact C-N 3.35Å; G250-R252 PolarHBondContact O-N 3.07Å; R252-V255 WeakPolarHBondContact O-CB 3.13Å; R252-V255 PolarHBondContact O-N 3.15Å; R252-V255 VanDerWaalsContact O-N 3.11Å; R252-L256 WeakPolarHBondContact O-CG 3.43Å; R252-L256 PolarHBondContact O-N 3.22Å
253	R	91.4	Very high	91.5	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-34	177.3	-73.6	170.3	174.2	69.7	1.7	113.5	W35 I189 L190 F193 I194 E249 G250 K251 V255 L256 S257	W35-R253 HydrophobicContact CH2-CB 4.12Å; W35-R253 HydrophobicContact CH2-CG 4.48Å; I189-R253 PolarHBondContact O-NE 2.87Å; I189-R253 PolarHBondContact O-NH2 3.39Å; L190-R253 HydrophobicContact CD2-CB 3.83Å; L190-R253 HydrophobicContact CD2-CG 4.08Å; L190-R253 WeakPolarHBondContact CD2-O 3.32Å; F193-R253 PolarHBondContact O-NH2 3.37Å; I194-R253 VanDerWaalsContact CG1-NH2 3.3Å; E249-R253 WeakPolarHBondContact O-CG 3.36Å; E249-R253 PolarHBondContact O-N 3.46Å; E249-R253 PolarHBondContact O-NH1 3.29Å; E249-R253 IonicContact OE2-CZ 3.39Å; E249-R253 IonicContact OE2-NH1 2.71Å; E249-R253 PolarHBondContact OE2-NH1 2.64Å; G250-R253 PolarHBondContact O-N 2.89Å; K251-R253 VanDerWaalsContact C-N 3.29Å; K251-R253 PolarHBondContact O-N 3.5Å; R253-V255 PolarHBondContact O-N 2.88Å; R253-L256 PolarHBondContact O-N 2.95Å; R253-S257 WeakPolarHBondContact O-CB 3.21Å; R253-S257 PolarHBondContact O-N 3.48Å
254	E	92.8	Very high	92	Very high	31 Å²	31	19.5 Å²	19.5	15%	0.145	9%	0.094	C	C	.	.	H	α-helix	trans	-57.7	-39.7	169.4	-68	177.1	-170.1	0	0	111	G250 K251 A258 T290	G250-E254 PolarHBondContact O-N 3.41Å; K251-E254 VanDerWaalsContact CD-OE2 3.23Å; K251-E254 WeakPolarHBondContact CD-OE2 3.41Å; K251-E254 IonicContact NZ-OE1 2.62Å; K251-E254 PolarHBondContact NZ-OE1 2.99Å; K251-E254 IonicContact NZ-OE2 2.77Å; K251-E254 PolarHBondContact NZ-OE2 3.07Å; K251-E254 WeakPolarHBondContact O-CB 3.32Å; K251-E254 PolarHBondContact O-N 3.11Å; E254-A258 PolarHBondContact O-N 3.42Å; E254-T290 HydrophobicContact CB-CG2 4.2Å; E254-T290 WeakPolarHBondContact CG-OG1 3.23Å; E254-T290 WeakPolarHBondContact O-CG2 3.45Å
255	V	95.1	Very high	92.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-71	-41.2	176.4	-179.1	0	0	0	0	112.1	V73 M74 I77 S239 Y245 K251 R252 R253 S257 A258 A259	V73-V255 HydrophobicContact CG1-CG1 3.82Å; V73-V255 HydrophobicContact CG1-CG2 4.42Å; M74-V255 HydrophobicContact CE-CB 4.14Å; M74-V255 HydrophobicContact CE-CG1 3.97Å; M74-V255 HydrophobicContact CE-CG2 3.82Å; I77-V255 HydrophobicContact CD1-CG1 3.33Å; S239-V255 WeakPolarHBondContact OG-CG1 3.44Å; Y245-V255 HydrophobicContact CD1-CG2 3.45Å; Y245-V255 VanDerWaalsContact CD1-CG2 3.45Å; Y245-V255 HydrophobicContact CE1-CG2 3.56Å; Y245-V255 HydrophobicContact CG-CG2 4.03Å; K251-V255 PolarHBondContact O-N 3.3Å; R252-V255 WeakPolarHBondContact O-CB 3.13Å; R252-V255 PolarHBondContact O-N 3.15Å; R252-V255 VanDerWaalsContact O-N 3.11Å; R253-V255 PolarHBondContact O-N 2.88Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 3.43Å; V255-A258 PolarHBondContact O-N 3.38Å; V255-A259 WeakPolarHBondContact O-CB 3.36Å; V255-A259 PolarHBondContact O-N 2.8Å
256	L	95.3	Very high	92.6	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-36.7	177.5	-65.9	175.9	0	0	0	112.4	I189 L190 L199 C232 N236 R252 R253 A259 A260	I189-L256 HydrophobicContact CG2-CD1 4.22Å; L190-L256 HydrophobicContact CD2-CB 3.95Å; L199-L256 HydrophobicContact CD1-CD1 3.67Å; L199-L256 HydrophobicContact CD1-CD2 3.88Å; L199-L256 HydrophobicContact CD1-CG 4.45Å; C232-L256 HydrophobicContact CB-CD2 4.35Å; C232-L256 VanDerWaalsContact O-CD2 3.28Å; C232-L256 WeakPolarHBondContact O-CD2 3.37Å; C232-L256 PolarHBondContact SG-O 2.97Å; N236-L256 HydrophobicContact CB-CD2 4.14Å; R252-L256 WeakPolarHBondContact O-CG 3.43Å; R252-L256 PolarHBondContact O-N 3.22Å; R253-L256 PolarHBondContact O-N 2.95Å; L256-A259 PolarHBondContact O-N 3.44Å; L256-A260 PolarHBondContact O-N 3.47Å
257	S	94.9	Very high	92.8	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.028	8%	0.075	C	C	.	.	H	α-helix	trans	-64.8	-41.7	174.4	174.7	0	0	0	0	111.9	R253 V255 A260 A261 S278 S283 F286	R253-S257 WeakPolarHBondContact O-CB 3.21Å; R253-S257 PolarHBondContact O-N 3.48Å; V255-S257 VanDerWaalsContact C-N 3.31Å; V255-S257 PolarHBondContact O-N 3.43Å; S257-A260 PolarHBondContact O-N 3.02Å; S257-A261 PolarHBondContact O-N 2.84Å; S257-S278 PolarHBondContact O-OG 3.08Å; S257-S278 PolarHBondContact OG-OG 2.88Å; S257-S283 PolarHBondContact OG-OG 2.76Å; S257-F286 WeakPolarHBondContact OG-CD2 3.33Å; S257-F286 WeakPolarHBondContact OG-CE2 3.31Å
258	A	96.3	Very high	93.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.4	-38.3	172.7	0	0	0	0	0	112.7	M74 E254 V255 A261 A262 S294	M74-A258 HydrophobicContact CE-CB 4.04Å; M74-A258 HydrophobicContact SD-CB 3.42Å; M74-A258 WeakPolarHBondContact SD-CB 3.3Å; E254-A258 PolarHBondContact O-N 3.42Å; V255-A258 PolarHBondContact O-N 3.38Å; A258-A261 WeakPolarHBondContact O-CB 3.31Å; A258-A261 PolarHBondContact O-N 3.46Å; A258-A262 PolarHBondContact O-N 3.43Å; A258-S294 VanDerWaalsContact CA-OG 3.27Å; A258-S294 WeakPolarHBondContact CA-OG 3.37Å; A258-S294 WeakPolarHBondContact CB-OG 3.42Å
259	A	97.1	Very high	93.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.2	-37.3	175.6	0	0	0	0	0	112.2	I77 A231 V255 L256 A261 A262 G263	I77-A259 HydrophobicContact CG2-CB 3.91Å; A231-A259 WeakPolarHBondContact CB-O 3.49Å; A231-A259 WeakPolarHBondContact O-CB 3.09Å; V255-A259 WeakPolarHBondContact O-CB 3.36Å; V255-A259 PolarHBondContact O-N 2.8Å; L256-A259 PolarHBondContact O-N 3.44Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A262 PolarHBondContact O-N 2.73Å; A259-G263 PolarHBondContact O-N 2.74Å
260	A	96.4	Very high	93.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.5	-42.8	173.5	0	0	0	0	0	111.6	V228 L256 S257 G263 V264 V282	V228-A260 HydrophobicContact CG1-CB 3.81Å; L256-A260 PolarHBondContact O-N 3.47Å; S257-A260 PolarHBondContact O-N 3.02Å; A260-G263 PolarHBondContact O-N 3.37Å; A260-V264 PolarHBondContact O-N 2.97Å; A260-V264 VanDerWaalsContact O-N 3.07Å; A260-V282 HydrophobicContact CB-CG1 3.96Å
261	A	96.8	Very high	93.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61	-43.8	174.4	0	0	0	0	0	112	S257 A258 A259 G263 V264 S265 G274 V275	S257-A261 PolarHBondContact O-N 2.84Å; A258-A261 WeakPolarHBondContact O-CB 3.31Å; A258-A261 PolarHBondContact O-N 3.46Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A261-G263 VanDerWaalsContact C-N 3.33Å; A261-G263 PolarHBondContact O-N 3.1Å; A261-V264 PolarHBondContact O-N 3.46Å; A261-S265 WeakPolarHBondContact O-CB 3.47Å; A261-S265 PolarHBondContact O-N 2.94Å; A261-G274 WeakPolarHBondContact CA-O 3.28Å; A261-V275 HydrophobicContact CB-CG2 4.17Å
262	A	97.3	Very high	94.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.3	-38.8	175	0	0	0	0	0	112.5	A258 A259 S265 V266 A297 A301	A258-A262 PolarHBondContact O-N 3.43Å; A259-A262 PolarHBondContact O-N 2.73Å; A262-S265 WeakPolarHBondContact O-CB 3.43Å; A262-S265 PolarHBondContact O-N 3.34Å; A262-V266 WeakPolarHBondContact O-CG2 3.31Å; A262-V266 PolarHBondContact O-N 2.98Å; A262-A297 HydrophobicContact CB-CB 4.26Å; A262-A301 HydrophobicContact CB-CB 4.08Å
263	G	96.3	Very high	94.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.1	-43.4	175.9	0	0	0	0	0	113.4	A231 A259 A260 A261 V266 A267	A231-G263 VanDerWaalsContact CB-CA 3.48Å; A259-G263 PolarHBondContact O-N 2.74Å; A260-G263 PolarHBondContact O-N 3.37Å; A261-G263 VanDerWaalsContact C-N 3.33Å; A261-G263 PolarHBondContact O-N 3.1Å; G263-V266 WeakPolarHBondContact O-CG2 3.42Å; G263-A267 VanDerWaalsContact O-CB 3.27Å; G263-A267 WeakPolarHBondContact O-CB 3.14Å; G263-A267 PolarHBondContact O-N 3.46Å
264	V	94.8	Very high	94.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-69.7	-36.3	174.4	178.9	0	0	0	0	111.6	V228 A260 A261 V266 A267 F268 F277 I538	V228-V264 HydrophobicContact CG2-CG2 3.45Å; V228-V264 VanDerWaalsContact CG2-CG2 3.45Å; A260-V264 PolarHBondContact O-N 2.97Å; A260-V264 VanDerWaalsContact O-N 3.07Å; A261-V264 PolarHBondContact O-N 3.46Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 3.42Å; V264-A267 WeakPolarHBondContact O-CB 3.39Å; V264-A267 PolarHBondContact O-N 2.99Å; V264-F268 HydrophobicContact CG1-CD2 3.74Å; V264-F268 HydrophobicContact CG1-CE2 4.1Å; V264-F268 PolarHBondContact O-N 3.5Å; V264-F277 HydrophobicContact CB-CD1 4.37Å; V264-F277 HydrophobicContact CG1-CB 4.26Å; V264-F277 HydrophobicContact CG1-CD1 4.49Å; V264-F277 HydrophobicContact CG1-CG 4.29Å; V264-F277 HydrophobicContact CG2-CD1 3.43Å; V264-F277 VanDerWaalsContact CG2-CD1 3.43Å; V264-F277 HydrophobicContact CG2-CE1 3.59Å; V264-F277 HydrophobicContact CG2-CG 4.02Å; V264-F277 HydrophobicContact CG2-CZ 4.32Å; V264-I538 HydrophobicContact CG1-CD1 4.1Å
265	S	94.9	Very high	94.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.6	-38.2	176.6	-179.4	0	0	0	0	113	A261 A262 G269 A270 P271 A298	A261-S265 WeakPolarHBondContact O-CB 3.47Å; A261-S265 PolarHBondContact O-N 2.94Å; A262-S265 WeakPolarHBondContact O-CB 3.43Å; A262-S265 PolarHBondContact O-N 3.34Å; S265-G269 CarbonylContact O-C 3.4Å; S265-G269 WeakPolarHBondContact O-CA 3.24Å; S265-G269 PolarHBondContact O-N 3.47Å; S265-A270 PolarHBondContact O-N 2.83Å; S265-P271 VanDerWaalsContact OG-CA 3.26Å; S265-P271 WeakPolarHBondContact OG-CA 3.18Å; S265-A298 PolarHBondContact OG-O 2.83Å
266	V	93.5	Very high	94.5	Very high	5 Å²	5	9.6 Å²	9.6	3%	0.03	6%	0.055	C	C	.	.	H	α-helix	trans	-81	-29.3	176.5	-63	0	0	0	0	112.3	A85 A262 G263 V264 A301 L305	A85-V266 HydrophobicContact CB-CB 3.7Å; A85-V266 HydrophobicContact CB-CG1 4.45Å; A85-V266 HydrophobicContact CB-CG2 3.64Å; A262-V266 WeakPolarHBondContact O-CG2 3.31Å; A262-V266 PolarHBondContact O-N 2.98Å; G263-V266 WeakPolarHBondContact O-CG2 3.42Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 3.42Å; V266-A301 HydrophobicContact CG1-CB 3.41Å; V266-A301 VanDerWaalsContact CG1-CB 3.41Å; V266-L305 HydrophobicContact CB-CD2 4.23Å; V266-L305 VanDerWaalsContact O-CD2 3.25Å; V266-L305 WeakPolarHBondContact O-CD2 3.31Å
267	A	91.8	Very high	94.5	Very high	9 Å²	9	9.4 Å²	9.4	7%	0.074	5%	0.054	C	C	.	.	H	α-helix	trans	-62.1	-43.7	175.3	0	0	0	0	0	112.6	E224 L227 G263 V264	E224-A267 HydrophobicContact CB-CB 3.9Å; E224-A267 HydrophobicContact CG-CB 4.35Å; E224-A267 VanDerWaalsContact OE2-C 3.28Å; E224-A267 WeakPolarHBondContact OE2-CA 3.32Å; E224-A267 WeakPolarHBondContact OE2-CB 3.46Å; L227-A267 HydrophobicContact CB-CB 4.43Å; L227-A267 HydrophobicContact CD1-CB 4.05Å; G263-A267 VanDerWaalsContact O-CB 3.27Å; G263-A267 WeakPolarHBondContact O-CB 3.14Å; G263-A267 PolarHBondContact O-N 3.46Å; V264-A267 WeakPolarHBondContact O-CB 3.39Å; V264-A267 PolarHBondContact O-N 2.99Å
268	F	89	Confident	94.5	Very high	9 Å²	9	9.2 Å²	9.2	4%	0.039	5%	0.052	C	C	.	.	H	α-helix	trans	-112.7	-1.7	-176.1	-62.5	-71.7	0	0	0	114.1	E224 V264 A270 F469 M473 I538 L542	E224-F268 HydrophobicContact CB-CE1 4.36Å; E224-F268 HydrophobicContact CB-CE2 4.26Å; E224-F268 HydrophobicContact CB-CZ 3.94Å; E224-F268 HydrophobicContact CG-CE1 3.93Å; E224-F268 HydrophobicContact CG-CZ 4.02Å; V264-F268 HydrophobicContact CG1-CD2 3.74Å; V264-F268 HydrophobicContact CG1-CE2 4.1Å; V264-F268 PolarHBondContact O-N 3.5Å; F268-A270 HydrophobicContact CB-CB 3.97Å; F268-A270 PolarHBondContact O-N 3.18Å; F268-F469 AromaticContact CE2-CD2 3.63Å; F268-F469 HydrophobicContact CE2-CD2 3.63Å; F268-F469 AromaticContact CE2-CE2 3.95Å; F268-F469 HydrophobicContact CE2-CE2 3.95Å; F268-F469 HydrophobicContact CZ-CB 3.89Å; F268-F469 AromaticContact CZ-CD2 3.36Å; F268-F469 HydrophobicContact CZ-CD2 3.36Å; F268-F469 HydrophobicContact CZ-CE2 4.13Å; F268-F469 AromaticContact CZ-CG 3.94Å; F268-F469 HydrophobicContact CZ-CG 3.94Å; F268-M473 HydrophobicContact CE1-CE 3.89Å; F268-I538 HydrophobicContact CB-CG2 3.92Å; F268-I538 HydrophobicContact CD1-CG2 4.2Å; F268-I538 HydrophobicContact CD2-CG2 4.11Å; F268-I538 HydrophobicContact CG-CG2 3.83Å; F268-L542 HydrophobicContact CB-CD2 4.28Å; F268-L542 HydrophobicContact CD1-CD1 4.17Å; F268-L542 WeakPolarHBondContact O-CD2 3.4Å
269	G	88.9	Confident	94.3	Very high	7 Å²	7	12.8 Å²	12.8	7%	0.072	7%	0.071	C	C	.	.	S	Bend	trans	64.2	20.1	-170.4	0	0	0	0	0	113.7	S265 P271	S265-G269 CarbonylContact O-C 3.4Å; S265-G269 WeakPolarHBondContact O-CA 3.24Å; S265-G269 PolarHBondContact O-N 3.47Å; G269-P271 WeakPolarHBondContact O-CD 3.33Å
270	A	91.5	Very high	93.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.			trans	-118.5	87.1	-169.3	0	0	0	0	0	111.3	S265 F268 G274 I538 E541	S265-A270 PolarHBondContact O-N 2.83Å; F268-A270 HydrophobicContact CB-CB 3.97Å; F268-A270 PolarHBondContact O-N 3.18Å; A270-G274 PolarHBondContact O-N 2.88Å; A270-I538 HydrophobicContact CB-CG1 4.41Å; A270-I538 HydrophobicContact CB-CG2 4.32Å; A270-E541 WeakPolarHBondContact CA-OE2 3.44Å; A270-E541 HydrophobicContact CB-CB 3.79Å; A270-E541 VanDerWaalsContact CB-OE2 3.22Å; A270-E541 WeakPolarHBondContact CB-OE2 3.2Å
271	P	94.8	Very high	93.6	Very high	22 Å²	22	15.2 Å²	15.2	14%	0.143	8%	0.082	C	C	.	.	H	α-helix	trans	-69	-38.8	-174.4	26.6	-33.7	0	0	0	113.8	S265 G269 V275 A298 E541	S265-P271 VanDerWaalsContact OG-CA 3.26Å; S265-P271 WeakPolarHBondContact OG-CA 3.18Å; G269-P271 WeakPolarHBondContact O-CD 3.33Å; P271-V275 WeakPolarHBondContact O-CG2 3.4Å; P271-V275 PolarHBondContact O-N 3.12Å; P271-A298 HydrophobicContact CB-CB 4.11Å; P271-E541 WeakPolarHBondContact CD-OE1 3.22Å
272	I	94.8	Very high	93.1	Very high	81 Å²	81	15.3 Å²	15.3	42%	0.415	8%	0.083	S	C	.	.	H	α-helix	trans	-71.4	-44.9	178.9	-57.7	170.3	0	0	0	109	G274 V275 L276 F295 V537 E541	I272-G274 VanDerWaalsContact C-N 3.29Å; I272-G274 PolarHBondContact O-N 3.46Å; I272-V275 PolarHBondContact O-N 2.79Å; I272-L276 HydrophobicContact CG2-CD1 4.25Å; I272-L276 PolarHBondContact O-N 2.87Å; I272-L276 VanDerWaalsContact O-N 3.07Å; I272-F295 HydrophobicContact CG1-CE2 4.1Å; I272-V537 HydrophobicContact CB-CG1 4.1Å; I272-V537 HydrophobicContact CG2-CG1 3.86Å; I272-E541 VanDerWaalsContact CB-OE1 3.26Å; I272-E541 WeakPolarHBondContact CB-OE1 3.47Å; I272-E541 WeakPolarHBondContact CD1-OE1 3.28Å; I272-E541 WeakPolarHBondContact CG1-OE1 3.3Å; I272-E541 PolarHBondContact N-OE1 3.32Å; I272-E541 PolarHBondContact N-OE2 3.39Å
273	G	93.9	Very high	92.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.8	-41.9	175.2	0	0	0	0	0	112.3	L276 F277 E541	G273-L276 PolarHBondContact O-N 3.34Å; G273-F277 VanDerWaalsContact O-CB 3.32Å; G273-F277 WeakPolarHBondContact O-CB 3.43Å; G273-F277 PolarHBondContact O-N 3.03Å; G273-E541 PolarHBondContact N-OE2 3.06Å
274	G	94.9	Very high	91.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.2	-38.9	177.4	0	0	0	0	0	114.4	A261 A270 I272 S278	A261-G274 WeakPolarHBondContact CA-O 3.28Å; A270-G274 PolarHBondContact O-N 2.88Å; I272-G274 VanDerWaalsContact C-N 3.29Å; I272-G274 PolarHBondContact O-N 3.46Å; G274-S278 PolarHBondContact O-N 3.31Å
275	V	96.4	Very high	90.8	Very high	10 Å²	10	24.2 Å²	24.2	6%	0.061	12%	0.121	C	C	.	.	H	α-helix	trans	-68.1	-44.1	175.5	177.5	0	0	0	0	111	A261 P271 I272 F277 S278 L279 F286 L291 F295 A298	A261-V275 HydrophobicContact CB-CG2 4.17Å; P271-V275 WeakPolarHBondContact O-CG2 3.4Å; P271-V275 PolarHBondContact O-N 3.12Å; I272-V275 PolarHBondContact O-N 2.79Å; V275-F277 VanDerWaalsContact C-N 3.32Å; V275-F277 PolarHBondContact O-N 3.38Å; V275-S278 PolarHBondContact O-N 3Å; V275-L279 PolarHBondContact O-N 3.48Å; V275-F286 HydrophobicContact CG1-CZ 4.33Å; V275-L291 HydrophobicContact CG1-CG 4.43Å; V275-F295 HydrophobicContact CG2-CB 4.13Å; V275-F295 HydrophobicContact CG2-CD2 4.41Å; V275-A298 HydrophobicContact CG2-CB 4.24Å
276	L	95.4	Very high	90.3	Very high	50 Å²	50	26 Å²	26	26%	0.262	13%	0.129	S	C	.	.	H	α-helix	trans	-64.4	-38.5	177.3	-70.2	175.7	0	0	0	111.6	I272 G273 L279 E280 V533 V537	I272-L276 HydrophobicContact CG2-CD1 4.25Å; I272-L276 PolarHBondContact O-N 2.87Å; I272-L276 VanDerWaalsContact O-N 3.07Å; G273-L276 PolarHBondContact O-N 3.34Å; L276-L279 PolarHBondContact O-N 3.19Å; L276-E280 WeakPolarHBondContact O-CB 3.4Å; L276-E280 PolarHBondContact O-N 2.94Å; L276-V533 HydrophobicContact CD1-CG1 4.46Å; L276-V537 HydrophobicContact CD1-CB 3.99Å; L276-V537 HydrophobicContact CD1-CG1 4.07Å; L276-V537 HydrophobicContact CD1-CG2 3.68Å
277	F	94.7	Very high	90.1	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-46.2	172.9	175.2	-86.6	0	0	0	111.6	I183 V264 G273 V275 L279 E280 E281 V282 F469 M531	I183-F277 HydrophobicContact CD1-CZ 4.19Å; V264-F277 HydrophobicContact CB-CD1 4.37Å; V264-F277 HydrophobicContact CG1-CB 4.26Å; V264-F277 HydrophobicContact CG1-CD1 4.49Å; V264-F277 HydrophobicContact CG1-CG 4.29Å; V264-F277 HydrophobicContact CG2-CD1 3.43Å; V264-F277 VanDerWaalsContact CG2-CD1 3.43Å; V264-F277 HydrophobicContact CG2-CE1 3.59Å; V264-F277 HydrophobicContact CG2-CG 4.02Å; V264-F277 HydrophobicContact CG2-CZ 4.32Å; G273-F277 VanDerWaalsContact O-CB 3.32Å; G273-F277 WeakPolarHBondContact O-CB 3.43Å; G273-F277 PolarHBondContact O-N 3.03Å; V275-F277 VanDerWaalsContact C-N 3.32Å; V275-F277 PolarHBondContact O-N 3.38Å; F277-L279 PolarHBondContact O-N 3.2Å; F277-E280 PolarHBondContact O-N 3.2Å; F277-E281 HydrophobicContact CD2-CB 4.45Å; F277-E281 HydrophobicContact CE2-CB 4.33Å; F277-E281 HydrophobicContact CZ-CB 4.44Å; F277-E281 WeakPolarHBondContact O-CB 3.39Å; F277-E281 PolarHBondContact O-N 2.95Å; F277-V282 HydrophobicContact CD1-CG2 3.82Å; F277-V282 HydrophobicContact CE1-CG2 3.29Å; F277-V282 HydrophobicContact CZ-CG2 4.08Å; F277-F469 HydrophobicContact CE2-CE2 4.2Å; F277-F469 AromaticContact CE2-CZ 3.57Å; F277-F469 HydrophobicContact CE2-CZ 3.57Å; F277-F469 HydrophobicContact CZ-CE2 4.33Å; F277-F469 AromaticContact CZ-CZ 3.79Å; F277-F469 HydrophobicContact CZ-CZ 3.79Å; F277-M531 HydrophobicContact CD2-CE 4.06Å; F277-M531 HydrophobicContact CD2-SD 3.72Å; F277-M531 HydrophobicContact CE2-CE 3.24Å; F277-M531 HydrophobicContact CE2-SD 3.4Å; F277-M531 WeakPolarHBondContact CE2-SD 3.42Å; F277-M531 HydrophobicContact CZ-CE 3.91Å
278	S	94.6	Very high	89.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-62.1	-33.6	178.4	-171.4	0	0	0	0	111.9	S257 G274 V275 S283	S257-S278 PolarHBondContact O-OG 3.08Å; S257-S278 PolarHBondContact OG-OG 2.88Å; G274-S278 PolarHBondContact O-N 3.31Å; V275-S278 PolarHBondContact O-N 3Å; S278-S283 WeakPolarHBondContact O-CB 3.46Å; S278-S283 PolarHBondContact O-N 3.47Å; S278-S283 PolarHBondContact O-OG 2.67Å; S278-S283 PolarHBondContact OG-OG 2.91Å
279	L	91.9	Very high	89.9	Confident	75 Å²	75	39.8 Å²	39.8	39%	0.393	19%	0.194	S	C	.	.	I	π-helix	trans	-74.2	-47.2	176.4	-171.2	161.5	0	0	0	112.6	V275 L276 F277 F286 L291	V275-L279 PolarHBondContact O-N 3.48Å; L276-L279 PolarHBondContact O-N 3.19Å; F277-L279 PolarHBondContact O-N 3.2Å; L279-F286 HydrophobicContact CB-CD1 4.27Å; L279-F286 HydrophobicContact CB-CE1 4.37Å; L279-F286 HydrophobicContact CD1-CD1 3.73Å; L279-F286 HydrophobicContact CD1-CE1 4.03Å; L279-F286 HydrophobicContact CG-CB 4.48Å; L279-F286 HydrophobicContact CG-CD1 3.98Å; L279-F286 HydrophobicContact CG-CE1 4.46Å; L279-F286 HydrophobicContact CG-CG 4.34Å; L279-L291 HydrophobicContact CD1-CD1 4.26Å
280	E	90.3	Very high	90.1	Very high	46 Å²	46	39.5 Å²	39.5	22%	0.215	19%	0.191	C	C	.	.	I	π-helix	trans	-74.4	-36.5	-174.3	-171.3	177.6	178.7	0	0	112.1	L276 F277 T532 V533 S534	L276-E280 WeakPolarHBondContact O-CB 3.4Å; L276-E280 PolarHBondContact O-N 2.94Å; F277-E280 PolarHBondContact O-N 3.2Å; E280-T532 PolarHBondContact OE1-N 3.43Å; E280-T532 PolarHBondContact OE1-OG1 3.01Å; E280-V533 PolarHBondContact OE1-N 3.43Å; E280-V533 PolarHBondContact OE2-N 2.87Å; E280-S534 WeakPolarHBondContact OE2-CB 3.35Å; E280-S534 PolarHBondContact OE2-N 3.3Å; E280-S534 PolarHBondContact OE2-OG 3.47Å
281	E	88.4	Confident	90.2	Very high	4 Å²	4	42 Å²	42	2%	0.019	20%	0.204	C	C	.	.	I	π-helix	trans	-121.5	-35.3	-162.2	-72.4	-66.4	138.5	0	0	115.6	K187 F277 M531 K587	K187-E281 WeakPolarHBondContact CD-O 3.44Å; K187-E281 VanDerWaalsContact CE-O 3.25Å; K187-E281 WeakPolarHBondContact CE-O 3.4Å; K187-E281 PolarHBondContact NZ-O 3.36Å; K187-E281 IonicContact NZ-OE2 3.82Å; F277-E281 HydrophobicContact CD2-CB 4.45Å; F277-E281 HydrophobicContact CE2-CB 4.33Å; F277-E281 HydrophobicContact CZ-CB 4.44Å; F277-E281 WeakPolarHBondContact O-CB 3.39Å; F277-E281 PolarHBondContact O-N 2.95Å; E281-M531 HydrophobicContact CB-CE 3.81Å; E281-M531 VanDerWaalsContact CD-CG 3.49Å; E281-M531 HydrophobicContact CG-CE 3.38Å; E281-M531 HydrophobicContact CG-CG 3.47Å; E281-M531 VanDerWaalsContact CG-CG 3.47Å; E281-M531 HydrophobicContact CG-SD 3.81Å; E281-K587 IonicContact OE1-NZ 2.99Å; E281-K587 PolarHBondContact OE1-NZ 3.24Å; E281-K587 IonicContact OE2-NZ 2.65Å
282	V	87.6	Confident	90.2	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	23%	0.225	C	C	.	.	I	π-helix	trans	-99.5	-38.1	-169.3	176	0	0	0	0	111.5	I186 L190 A260 F277	I186-V282 HydrophobicContact CG2-CG1 3.86Å; L190-V282 HydrophobicContact CD1-CB 4.43Å; L190-V282 HydrophobicContact CD1-CG1 3.22Å; L190-V282 WeakPolarHBondContact CD1-O 3.49Å; A260-V282 HydrophobicContact CB-CG1 3.96Å; F277-V282 HydrophobicContact CD1-CG2 3.82Å; F277-V282 HydrophobicContact CE1-CG2 3.29Å; F277-V282 HydrophobicContact CZ-CG2 4.08Å
283	S	84.8	Confident	90.2	Very high	19 Å²	19	46 Å²	46	13%	0.133	21%	0.211	C	C	.	.			trans	-98.8	129.9	-169.6	-56.1	0	0	0	0	112.6	S257 S278	S257-S283 PolarHBondContact OG-OG 2.76Å; S278-S283 WeakPolarHBondContact O-CB 3.46Å; S278-S283 PolarHBondContact O-N 3.47Å; S278-S283 PolarHBondContact O-OG 2.67Å; S278-S283 PolarHBondContact OG-OG 2.91Å
284	Y	75.5	Confident	90.3	Very high	44 Å²	44	46 Å²	46	17%	0.173	21%	0.211	C	C	.	.	S	Bend	trans	-75.6	-40.2	172.6	-177.2	-82.6	0	0	0	112.4	V586 R718 K719	Y284-V586 HydrophobicContact CD2-CG2 3.54Å; Y284-V586 HydrophobicContact CE2-CG2 3.11Å; Y284-V586 HydrophobicContact CG-CG2 4.44Å; Y284-R718 WeakPolarHBondContact CE1-O 3.47Å; Y284-R718 HydrophobicContact CE2-CG 4.48Å; Y284-R718 WeakPolarHBondContact OH-CA 3.42Å; Y284-R718 WeakPolarHBondContact OH-CB 3.45Å; Y284-R718 PolarHBondContact OH-O 3.42Å; Y284-K719 PolarHBondContact OH-N 3.41Å
285	Y	79.9	Confident	90.4	Very high	123 Å²	123	49.4 Å²	49.4	48%	0.482	23%	0.226	S	C	.	.			trans	-135.6	125.6	-178.9	171.7	-103.6	0	0	0	109.3	P287	Y285-P287 HydrophobicContact CD1-CG 4.44Å; Y285-P287 HydrophobicContact CE1-CB 4.07Å; Y285-P287 HydrophobicContact CE1-CG 3.83Å
286	F	84.4	Confident	90.4	Very high	38 Å²	38	52 Å²	52	17%	0.167	24%	0.237	C	C	.	.			trans	-133.3	90.4	-172.8	-160.6	-104.4	0	0	0	111.7	S257 V275 L279 T290 L291	S257-F286 WeakPolarHBondContact OG-CD2 3.33Å; S257-F286 WeakPolarHBondContact OG-CE2 3.31Å; V275-F286 HydrophobicContact CG1-CZ 4.33Å; L279-F286 HydrophobicContact CB-CD1 4.27Å; L279-F286 HydrophobicContact CB-CE1 4.37Å; L279-F286 HydrophobicContact CD1-CD1 3.73Å; L279-F286 HydrophobicContact CD1-CE1 4.03Å; L279-F286 HydrophobicContact CG-CB 4.48Å; L279-F286 HydrophobicContact CG-CD1 3.98Å; L279-F286 HydrophobicContact CG-CE1 4.46Å; L279-F286 HydrophobicContact CG-CG 4.34Å; F286-T290 HydrophobicContact CD2-CG2 4.18Å; F286-T290 HydrophobicContact CE2-CG2 3.83Å; F286-T290 HydrophobicContact CZ-CG2 4.41Å; F286-L291 HydrophobicContact CD1-CB 4.05Å; F286-L291 HydrophobicContact CD1-CD1 4.36Å; F286-L291 HydrophobicContact CE1-CB 3.37Å; F286-L291 HydrophobicContact CE1-CD1 3.92Å; F286-L291 HydrophobicContact CE1-CG 3.71Å; F286-L291 HydrophobicContact CZ-CB 4.15Å
287	P	87.8	Confident	90.5	Very high	25 Å²	25	49.6 Å²	49.6	16%	0.162	22%	0.224	C	C	.	.			trans	-73.6	151.3	-179.1	29.8	-32.5	0	0	0	111	Y285 K289 T290 L291	Y285-P287 HydrophobicContact CD1-CG 4.44Å; Y285-P287 HydrophobicContact CE1-CB 4.07Å; Y285-P287 HydrophobicContact CE1-CG 3.83Å; P287-K289 PolarHBondContact O-N 2.95Å; P287-K289 VanDerWaalsContact O-N 3.08Å; P287-T290 VanDerWaalsContact CG-OG1 3.29Å; P287-T290 WeakPolarHBondContact CG-OG1 3.17Å; P287-T290 WeakPolarHBondContact O-CA 3.49Å; P287-T290 WeakPolarHBondContact O-CB 3.26Å; P287-T290 PolarHBondContact O-N 3.47Å; P287-L291 PolarHBondContact O-N 3.37Å; P287-L291 VanDerWaalsContact O-N 3.07Å
288	L	89.3	Confident	90.6	Very high	120 Å²	120	49.5 Å²	49.5	63%	0.628	22%	0.224	S	C	*	.	H	α-helix	trans	-55	-33.5	-177.7	-172.3	66.9	0	0	0	113.6	T290 L291 W292	L288-T290 VanDerWaalsContact C-N 3.31Å; L288-T290 PolarHBondContact O-N 3.36Å; L288-L291 HydrophobicContact CD1-CD1 4.48Å; L288-L291 WeakPolarHBondContact O-CB 3.32Å; L288-L291 PolarHBondContact O-N 3.22Å; L288-W292 VanDerWaalsContact O-CD1 3.29Å; L288-W292 PolarHBondContact O-N 2.88Å
289	K	89.3	Confident	90.7	Very high	167 Å²	167	53.6 Å²	53.6	73%	0.726	25%	0.245	S	C	*	.	H	α-helix	trans	-64.7	-35.2	174.7	-68.4	-175.5	179.8	-179.8	0	112.5	P287 R293	P287-K289 PolarHBondContact O-N 2.95Å; P287-K289 VanDerWaalsContact O-N 3.08Å; K289-R293 WeakPolarHBondContact O-CG 3.18Å; K289-R293 PolarHBondContact O-N 3.08Å
290	T	91.6	Very high	90.9	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-73.8	-33.9	175.2	-58.5	0	0	0	0	110.7	E254 F286 P287 L288 R293 S294	E254-T290 HydrophobicContact CB-CG2 4.2Å; E254-T290 WeakPolarHBondContact CG-OG1 3.23Å; E254-T290 WeakPolarHBondContact O-CG2 3.45Å; F286-T290 HydrophobicContact CD2-CG2 4.18Å; F286-T290 HydrophobicContact CE2-CG2 3.83Å; F286-T290 HydrophobicContact CZ-CG2 4.41Å; P287-T290 VanDerWaalsContact CG-OG1 3.29Å; P287-T290 WeakPolarHBondContact CG-OG1 3.17Å; P287-T290 WeakPolarHBondContact O-CA 3.49Å; P287-T290 WeakPolarHBondContact O-CB 3.26Å; P287-T290 PolarHBondContact O-N 3.47Å; L288-T290 VanDerWaalsContact C-N 3.31Å; L288-T290 PolarHBondContact O-N 3.36Å; T290-R293 PolarHBondContact O-N 2.97Å; T290-S294 VanDerWaalsContact O-CB 3.31Å; T290-S294 WeakPolarHBondContact O-CB 3.34Å; T290-S294 PolarHBondContact O-N 3.13Å; T290-S294 PolarHBondContact O-OG 3.35Å
291	L	94.3	Very high	91.2	Very high	53 Å²	53	48.7 Å²	48.7	28%	0.277	22%	0.221	S	C	.	.	H	α-helix	trans	-54.5	-54.8	173	-171.1	149.5	0	0	0	111.9	V275 L279 F286 P287 L288 R293 S294 F295	V275-L291 HydrophobicContact CG1-CG 4.43Å; L279-L291 HydrophobicContact CD1-CD1 4.26Å; F286-L291 HydrophobicContact CD1-CB 4.05Å; F286-L291 HydrophobicContact CD1-CD1 4.36Å; F286-L291 HydrophobicContact CE1-CB 3.37Å; F286-L291 HydrophobicContact CE1-CD1 3.92Å; F286-L291 HydrophobicContact CE1-CG 3.71Å; F286-L291 HydrophobicContact CZ-CB 4.15Å; P287-L291 PolarHBondContact O-N 3.37Å; P287-L291 VanDerWaalsContact O-N 3.07Å; L288-L291 HydrophobicContact CD1-CD1 4.48Å; L288-L291 WeakPolarHBondContact O-CB 3.32Å; L288-L291 PolarHBondContact O-N 3.22Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 3.47Å; L291-S294 PolarHBondContact O-N 3.17Å; L291-F295 PolarHBondContact O-N 2.87Å
292	W	94.4	Very high	91.4	Very high	150 Å²	150	48.7 Å²	48.7	57%	0.568	22%	0.222	S	C	*	.	H	α-helix	trans	-62.2	-38.5	179	-75.4	108.6	0	0	0	113.4	L288 F295 F296	L288-W292 VanDerWaalsContact O-CD1 3.29Å; L288-W292 PolarHBondContact O-N 2.88Å; W292-F295 PolarHBondContact O-N 3.49Å; W292-F296 PolarHBondContact O-N 3.47Å
293	R	94.8	Very high	91.7	Very high	35 Å²	35	54.8 Å²	54.8	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-38.8	176.5	-76.1	174.9	178.2	-176.3	-3.2	112.6	M74 K289 T290 L291 F296 A297	M74-R293 HydrophobicContact CE-CB 4.44Å; M74-R293 HydrophobicContact CG-CB 3.88Å; M74-R293 HydrophobicContact CG-CG 4.32Å; M74-R293 HydrophobicContact SD-CB 4.31Å; K289-R293 WeakPolarHBondContact O-CG 3.18Å; K289-R293 PolarHBondContact O-N 3.08Å; T290-R293 PolarHBondContact O-N 2.97Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-R293 PolarHBondContact O-N 3.47Å; R293-F296 PolarHBondContact O-N 3.34Å; R293-A297 WeakPolarHBondContact O-CB 3.18Å; R293-A297 PolarHBondContact O-N 2.84Å
294	S	96.1	Very high	92.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-44.4	176.6	-54.7	0	0	0	0	110.5	A258 T290 L291 F296 A297 A298	A258-S294 VanDerWaalsContact CA-OG 3.27Å; A258-S294 WeakPolarHBondContact CA-OG 3.37Å; A258-S294 WeakPolarHBondContact CB-OG 3.42Å; T290-S294 VanDerWaalsContact O-CB 3.31Å; T290-S294 WeakPolarHBondContact O-CB 3.34Å; T290-S294 PolarHBondContact O-N 3.13Å; T290-S294 PolarHBondContact O-OG 3.35Å; L291-S294 PolarHBondContact O-N 3.17Å; S294-F296 PolarHBondContact O-N 2.62Å; S294-A297 PolarHBondContact O-N 2.98Å; S294-A298 WeakPolarHBondContact O-CB 3.47Å; S294-A298 PolarHBondContact O-N 3.39Å
295	F	96.6	Very high	92.8	Very high	73 Å²	73	52.7 Å²	52.7	32%	0.32	24%	0.24	S	C	.	.	H	α-helix	trans	-59	-45.7	174.8	-178.4	-103.1	0	0	0	112.2	I272 V275 L291 W292 A298 L299	I272-F295 HydrophobicContact CG1-CE2 4.1Å; V275-F295 HydrophobicContact CG2-CB 4.13Å; V275-F295 HydrophobicContact CG2-CD2 4.41Å; L291-F295 PolarHBondContact O-N 2.87Å; W292-F295 PolarHBondContact O-N 3.49Å; F295-A298 PolarHBondContact O-N 3.49Å; F295-L299 WeakPolarHBondContact O-CB 3.45Å; F295-L299 PolarHBondContact O-N 2.87Å
296	F	97.4	Very high	93.2	Very high	63 Å²	63	52.9 Å²	52.9	28%	0.276	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-44.3	176.1	179.3	-103.7	0	0	0	112.9	W71 M74 L75 W292 R293 S294 A298 L299 V300	W71-F296 HydrophobicContact CE3-CB 4.12Å; W71-F296 AromaticContact CE3-CD1 3.68Å; W71-F296 HydrophobicContact CE3-CD1 3.68Å; W71-F296 HydrophobicContact CE3-CD2 4.31Å; W71-F296 HydrophobicContact CE3-CE1 4.13Å; W71-F296 AromaticContact CE3-CG 3.76Å; W71-F296 HydrophobicContact CE3-CG 3.76Å; W71-F296 HydrophobicContact CZ3-CB 3.62Å; W71-F296 HydrophobicContact CZ3-CD1 4.07Å; W71-F296 HydrophobicContact CZ3-CD2 4.13Å; W71-F296 AromaticContact CZ3-CG 3.67Å; W71-F296 HydrophobicContact CZ3-CG 3.67Å; M74-F296 HydrophobicContact CB-CD1 3.87Å; M74-F296 HydrophobicContact CB-CE1 4.37Å; L75-F296 HydrophobicContact CB-CE1 4.12Å; L75-F296 HydrophobicContact CD1-CE1 4.48Å; L75-F296 HydrophobicContact CD1-CZ 4.22Å; W292-F296 PolarHBondContact O-N 3.47Å; R293-F296 PolarHBondContact O-N 3.34Å; S294-F296 PolarHBondContact O-N 2.62Å; F296-A298 PolarHBondContact O-N 2.91Å; F296-L299 PolarHBondContact O-N 3.21Å; F296-V300 HydrophobicContact CD1-CG2 4.49Å; F296-V300 HydrophobicContact CD2-CG2 4.48Å; F296-V300 HydrophobicContact CE1-CG2 4.13Å; F296-V300 HydrophobicContact CE2-CG2 4.11Å; F296-V300 HydrophobicContact CZ-CG2 3.92Å; F296-V300 VanDerWaalsContact O-CG2 3.31Å; F296-V300 WeakPolarHBondContact O-CG2 3.41Å; F296-V300 PolarHBondContact O-N 2.94Å
297	A	97.3	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-44.5	176.6	0	0	0	0	0	111.9	M74 A262 R293 S294 V300 A301	M74-A297 HydrophobicContact CB-CB 4.01Å; M74-A297 HydrophobicContact CG-CB 4.37Å; M74-A297 HydrophobicContact SD-CB 4.08Å; A262-A297 HydrophobicContact CB-CB 4.26Å; R293-A297 WeakPolarHBondContact O-CB 3.18Å; R293-A297 PolarHBondContact O-N 2.84Å; S294-A297 PolarHBondContact O-N 2.98Å; A297-V300 PolarHBondContact O-N 2.94Å; A297-A301 WeakPolarHBondContact O-CB 3.27Å; A297-A301 PolarHBondContact O-N 2.97Å
298	A	96.9	Very high	93.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-46.5	176.8	0	0	0	0	0	112	S265 P271 V275 S294 F295 F296 V300 A301 A302	S265-A298 PolarHBondContact OG-O 2.83Å; P271-A298 HydrophobicContact CB-CB 4.11Å; V275-A298 HydrophobicContact CG2-CB 4.24Å; S294-A298 WeakPolarHBondContact O-CB 3.47Å; S294-A298 PolarHBondContact O-N 3.39Å; F295-A298 PolarHBondContact O-N 3.49Å; F296-A298 PolarHBondContact O-N 2.91Å; A298-V300 PolarHBondContact O-N 3.4Å; A298-A301 PolarHBondContact O-N 3.48Å; A298-A302 WeakPolarHBondContact O-CB 3.32Å; A298-A302 PolarHBondContact O-N 3.04Å
299	L	95.8	Very high	93.1	Very high	85 Å²	85	53.5 Å²	53.5	45%	0.445	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-45.4	177.3	-177.4	67.1	0	0	0	112.2	F295 F296 A301 F303	F295-L299 WeakPolarHBondContact O-CB 3.45Å; F295-L299 PolarHBondContact O-N 2.87Å; F296-L299 PolarHBondContact O-N 3.21Å; L299-A301 VanDerWaalsContact C-N 3.33Å; L299-F303 VanDerWaalsContact O-CB 3.29Å; L299-F303 WeakPolarHBondContact O-CB 3.39Å; L299-F303 PolarHBondContact O-N 3.24Å
300	V	97.2	Very high	92.2	Very high	18 Å²	18	45.9 Å²	45.9	11%	0.109	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-42.8	176.6	172	0	0	0	0	110.6	L75 L79 F296 A297 A298 F303 T304	L75-V300 HydrophobicContact CD1-CG1 4Å; L75-V300 HydrophobicContact CD1-CG2 3.95Å; L79-V300 HydrophobicContact CD2-CG1 4.12Å; L79-V300 HydrophobicContact CG-CG1 4Å; F296-V300 HydrophobicContact CD1-CG2 4.49Å; F296-V300 HydrophobicContact CD2-CG2 4.48Å; F296-V300 HydrophobicContact CE1-CG2 4.13Å; F296-V300 HydrophobicContact CE2-CG2 4.11Å; F296-V300 HydrophobicContact CZ-CG2 3.92Å; F296-V300 VanDerWaalsContact O-CG2 3.31Å; F296-V300 WeakPolarHBondContact O-CG2 3.41Å; F296-V300 PolarHBondContact O-N 2.94Å; A297-V300 PolarHBondContact O-N 2.94Å; A298-V300 PolarHBondContact O-N 3.4Å; V300-F303 PolarHBondContact O-N 3.35Å; V300-T304 WeakPolarHBondContact O-CB 3.31Å; V300-T304 PolarHBondContact O-N 2.61Å; V300-T304 PolarHBondContact O-OG1 3.22Å
301	A	96.4	Very high	91	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-47.4	-179.9	0	0	0	0	0	111.7	G78 A262 V266 A297 A298 L299 T304 L305	G78-A301 WeakPolarHBondContact O-CA 3.39Å; A262-A301 HydrophobicContact CB-CB 4.08Å; V266-A301 HydrophobicContact CG1-CB 3.41Å; V266-A301 VanDerWaalsContact CG1-CB 3.41Å; A297-A301 WeakPolarHBondContact O-CB 3.27Å; A297-A301 PolarHBondContact O-N 2.97Å; A298-A301 PolarHBondContact O-N 3.48Å; L299-A301 VanDerWaalsContact C-N 3.33Å; A301-T304 PolarHBondContact O-N 2.93Å; A301-L305 PolarHBondContact O-N 3.41Å
302	A	92.3	Very high	89.6	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-47.5	174.1	0	0	0	0	0	111.6	A298 T304 L305 R306 L316	A298-A302 WeakPolarHBondContact O-CB 3.32Å; A298-A302 PolarHBondContact O-N 3.04Å; A302-T304 VanDerWaalsContact C-N 3.29Å; A302-T304 PolarHBondContact O-N 2.83Å; A302-L305 WeakPolarHBondContact O-CB 3.41Å; A302-L305 PolarHBondContact O-N 3.05Å; A302-R306 PolarHBondContact O-N 2.79Å; A302-L316 HydrophobicContact CB-CD2 4.08Å; A302-L316 WeakPolarHBondContact O-CD2 3.46Å
303	F	93	Very high	88.1	Confident	132 Å²	132	44 Å²	44	58%	0.579	23%	0.226	S	C	*	.	H	α-helix	trans	-59.7	-39.6	177.9	179.4	-96.1	0	0	0	112.7	L299 V300 R306 S307	L299-F303 VanDerWaalsContact O-CB 3.29Å; L299-F303 WeakPolarHBondContact O-CB 3.39Å; L299-F303 PolarHBondContact O-N 3.24Å; V300-F303 PolarHBondContact O-N 3.35Å; F303-R306 WeakPolarHBondContact O-CB 3.41Å; F303-R306 PolarHBondContact O-N 3.18Å; F303-S307 PolarHBondContact O-N 3.27Å; F303-S307 PolarHBondContact O-OG 3.23Å
304	T	94.4	Very high	86.6	Confident	13 Å²	13	46 Å²	46	8%	0.08	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-45.9	176.6	-54	0	0	0	0	111	T83 V300 A301 A302 R306 S307 I308	T83-T304 HydrophobicContact CG2-CG2 3.77Å; V300-T304 WeakPolarHBondContact O-CB 3.31Å; V300-T304 PolarHBondContact O-N 2.61Å; V300-T304 PolarHBondContact O-OG1 3.22Å; A301-T304 PolarHBondContact O-N 2.93Å; A302-T304 VanDerWaalsContact C-N 3.29Å; A302-T304 PolarHBondContact O-N 2.83Å; T304-R306 VanDerWaalsContact C-N 3.32Å; T304-R306 PolarHBondContact O-N 3.39Å; T304-S307 PolarHBondContact O-N 3.43Å; T304-I308 HydrophobicContact CG2-CD1 4.49Å; T304-I308 PolarHBondContact O-N 3.29Å
305	L	90.3	Very high	85	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-43	175.3	-175.4	64	0	0	0	111.4	A85 V266 A301 A302 S307 I308 N309 P310	A85-L305 HydrophobicContact CB-CD1 4.38Å; V266-L305 HydrophobicContact CB-CD2 4.23Å; V266-L305 VanDerWaalsContact O-CD2 3.25Å; V266-L305 WeakPolarHBondContact O-CD2 3.31Å; A301-L305 PolarHBondContact O-N 3.41Å; A302-L305 WeakPolarHBondContact O-CB 3.41Å; A302-L305 PolarHBondContact O-N 3.05Å; L305-S307 VanDerWaalsContact C-N 3.3Å; L305-S307 PolarHBondContact O-N 3.04Å; L305-I308 PolarHBondContact O-N 3.24Å; L305-N309 PolarHBondContact O-N 3.29Å; L305-N309 VanDerWaalsContact O-N 3.08Å; L305-P310 HydrophobicContact CD1-CG 4.03Å; L305-P310 WeakPolarHBondContact O-CD 3.48Å
306	R	87.9	Confident	83.1	Confident	126 Å²	126	50.7 Å²	50.7	48%	0.475	26%	0.264	S	S	.	.	H	α-helix	trans	-58.4	-41.6	174.8	-161.4	-179.1	-178.7	166.7	-7.2	113	A302 F303 T304 I308 N309 S314 L316	A302-R306 PolarHBondContact O-N 2.79Å; F303-R306 WeakPolarHBondContact O-CB 3.41Å; F303-R306 PolarHBondContact O-N 3.18Å; T304-R306 VanDerWaalsContact C-N 3.32Å; T304-R306 PolarHBondContact O-N 3.39Å; R306-I308 VanDerWaalsContact C-N 3.27Å; R306-I308 PolarHBondContact O-N 2.91Å; R306-N309 PolarHBondContact O-N 3.44Å; R306-N309 VanDerWaalsContact O-N 3.11Å; R306-S314 PolarHBondContact NE-O 3.22Å; R306-L316 HydrophobicContact CB-CD2 3.51Å; R306-L316 HydrophobicContact CB-CG 3.89Å; R306-L316 HydrophobicContact CG-CD2 4.02Å; R306-L316 HydrophobicContact CG-CG 3.79Å
307	S	89.2	Confident	81.4	Confident	81 Å²	81	48.9 Å²	48.9	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-69.5	-28.5	-177.1	-63.3	0	0	0	0	111.9	F303 T304 L305	F303-S307 PolarHBondContact O-N 3.27Å; F303-S307 PolarHBondContact O-OG 3.23Å; T304-S307 PolarHBondContact O-N 3.43Å; L305-S307 VanDerWaalsContact C-N 3.3Å; L305-S307 PolarHBondContact O-N 3.04Å
308	I	87.4	Confident	79.8	Confident	62 Å²	62	50.9 Å²	50.9	32%	0.318	27%	0.268	S	S	.	.	H	α-helix	trans	-74.9	-30.4	171.3	-64.7	168.8	0	0	0	110.9	T83 L90 T304 L305 R306	T83-I308 HydrophobicContact CG2-CD1 4.13Å; L90-I308 HydrophobicContact CD1-CG2 4.07Å; T304-I308 HydrophobicContact CG2-CD1 4.49Å; T304-I308 PolarHBondContact O-N 3.29Å; L305-I308 PolarHBondContact O-N 3.24Å; R306-I308 VanDerWaalsContact C-N 3.27Å; R306-I308 PolarHBondContact O-N 2.91Å
309	N	82.2	Confident	78.3	Confident	53 Å²	53	51.1 Å²	51.1	28%	0.283	27%	0.269	S	S	.	.			trans	49.4	58.6	178.5	-170.2	33.4	0	0	0	112.9	L305 R306 F311 G312 S314	L305-N309 PolarHBondContact O-N 3.29Å; L305-N309 VanDerWaalsContact O-N 3.08Å; R306-N309 PolarHBondContact O-N 3.44Å; R306-N309 VanDerWaalsContact O-N 3.11Å; N309-F311 PolarHBondContact O-N 3.26Å; N309-G312 WeakPolarHBondContact ND2-CA 3.33Å; N309-G312 PolarHBondContact ND2-O 3.34Å; N309-G312 PolarHBondContact O-N 2.96Å; N309-G312 PolarHBondContact OD1-N 3.37Å; N309-S314 WeakPolarHBondContact OD1-CA 3.02Å; N309-S314 PolarHBondContact OD1-N 2.88Å
310	P	71.6	Confident	77	Confident	8 Å²	8	50.8 Å²	50.8	5%	0.052	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.3	-175.3	24.7	-34	0	0	0	112.7	D89 L90 L305	D89-P310 HydrophobicContact CB-CB 4.06Å; D89-P310 HydrophobicContact CB-CG 4.43Å; L90-P310 HydrophobicContact CD2-CB 4.22Å; L90-P310 HydrophobicContact CG-CB 3.99Å; L305-P310 HydrophobicContact CD1-CG 4.03Å; L305-P310 WeakPolarHBondContact O-CD 3.48Å
311	F	66.1	Low	75.7	Confident	35 Å²	35	50.5 Å²	50.5	15%	0.154	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.9	-176.2	-51.1	-60.4	0	0	0	114.6	N309 N313 L318	N309-F311 PolarHBondContact O-N 3.26Å; F311-N313 PolarHBondContact O-N 3.11Å; F311-N313 PolarHBondContact O-OD1 3.29Å; F311-L318 HydrophobicContact CD1-CD1 3.96Å; F311-L318 HydrophobicContact CE1-CD1 3.42Å; F311-L318 VanDerWaalsContact CE1-CD1 3.42Å; F311-L318 HydrophobicContact CE2-CD1 4.18Å; F311-L318 HydrophobicContact CZ-CD1 3.56Å
312	G	63.4	Low	74.3	Confident	38 Å²	38	56 Å²	56	39%	0.392	29%	0.287	S	S	.	.	S	Bend	trans	69.1	-17.2	-178.4	0	0	0	0	0	116.1	N309 S314	N309-G312 WeakPolarHBondContact ND2-CA 3.33Å; N309-G312 PolarHBondContact ND2-O 3.34Å; N309-G312 PolarHBondContact O-N 2.96Å; N309-G312 PolarHBondContact OD1-N 3.37Å; G312-S314 VanDerWaalsContact C-N 3.3Å; G312-S314 PolarHBondContact O-N 3.43Å
313	N	63.2	Low	73.3	Confident	93 Å²	93	56.5 Å²	56.5	50%	0.497	29%	0.288	S	S	.	.	S	Bend	trans	-82.5	4.9	-170.7	-65.1	-24.7	0	0	0	115	F311 R315	F311-N313 PolarHBondContact O-N 3.11Å; F311-N313 PolarHBondContact O-OD1 3.29Å; N313-R315 PolarHBondContact O-N 2.95Å
314	S	63.4	Low	72.1	Confident	77 Å²	77	57 Å²	57	54%	0.538	29%	0.292	S	S	.	.	S	Bend	trans	60	-1.4	-177.2	76.6	0	0	0	0	115.8	R306 N309 G312	R306-S314 PolarHBondContact NE-O 3.22Å; N309-S314 WeakPolarHBondContact OD1-CA 3.02Å; N309-S314 PolarHBondContact OD1-N 2.88Å; G312-S314 VanDerWaalsContact C-N 3.3Å; G312-S314 PolarHBondContact O-N 3.43Å
315	R	62.9	Low	71	Confident	122 Å²	122	57.4 Å²	57.4	46%	0.46	29%	0.294	S	S	.	.			trans	-96.1	147.9	178.3	-69.4	-179.1	172.9	166.4	-8	110.1	N313 V317 Y320	N313-R315 PolarHBondContact O-N 2.95Å; R315-V317 VanDerWaalsContact C-N 3.28Å; R315-Y320 VanDerWaalsContact CZ-CD1 3.44Å
316	L	57.4	Low	70.4	Confident	48 Å²	48	60.3 Å²	60.3	25%	0.251	31%	0.314	S	S	.	.	S	Bend	trans	-74.9	-18.5	-179.2	-88.2	157.4	0	0	0	114	A302 R306	A302-L316 HydrophobicContact CB-CD2 4.08Å; A302-L316 WeakPolarHBondContact O-CD2 3.46Å; R306-L316 HydrophobicContact CB-CD2 3.51Å; R306-L316 HydrophobicContact CB-CG 3.89Å; R306-L316 HydrophobicContact CG-CD2 4.02Å; R306-L316 HydrophobicContact CG-CG 3.79Å
317	V	61.2	Low	70.3	Confident	26 Å²	26	56.2 Å²	56.2	16%	0.158	30%	0.298	C	S	.	.			trans	-116.4	130.1	-155.6	167.1	0	0	0	0	109	R315 F319 E541 L542	R315-V317 VanDerWaalsContact C-N 3.28Å; V317-F319 VanDerWaalsContact C-N 3.3Å; V317-F319 PolarHBondContact O-N 3.44Å; V317-E541 WeakPolarHBondContact CG2-O 3.28Å; V317-L542 VanDerWaalsContact CG1-CA 3.47Å; V317-L542 HydrophobicContact CG1-CB 4.29Å; V317-L542 HydrophobicContact CG1-CD2 3.86Å; V317-L542 WeakPolarHBondContact CG1-O 3.43Å
318	L	62.8	Low	70.1	Confident	41 Å²	41	56.4 Å²	56.4	22%	0.215	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.3	-175.5	-176	63.1	0	0	0	113.1	F311	F311-L318 HydrophobicContact CD1-CD1 3.96Å; F311-L318 HydrophobicContact CE1-CD1 3.42Å; F311-L318 VanDerWaalsContact CE1-CD1 3.42Å; F311-L318 HydrophobicContact CE2-CD1 4.18Å; F311-L318 HydrophobicContact CZ-CD1 3.56Å
319	F	66.8	Low	70	Confident	5 Å²	5	60.1 Å²	60.1	2%	0.022	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	45.7	-170.3	-54.5	-58.2	0	0	0	113.7	V317 V321 S395 I398 F402 I470 L542	V317-F319 VanDerWaalsContact C-N 3.3Å; V317-F319 PolarHBondContact O-N 3.44Å; F319-V321 PolarHBondContact O-N 3.46Å; F319-V321 VanDerWaalsContact O-N 3.14Å; F319-S395 VanDerWaalsContact CE1-O 3.28Å; F319-S395 WeakPolarHBondContact CE1-O 3.41Å; F319-I398 HydrophobicContact CD1-CG2 4.11Å; F319-I398 HydrophobicContact CD2-CG2 4.39Å; F319-I398 HydrophobicContact CE1-CB 3.89Å; F319-I398 HydrophobicContact CE1-CG2 3.79Å; F319-I398 HydrophobicContact CE2-CG2 4.07Å; F319-I398 HydrophobicContact CG-CG2 4.4Å; F319-I398 HydrophobicContact CZ-CB 3.93Å; F319-I398 HydrophobicContact CZ-CD1 4.46Å; F319-I398 HydrophobicContact CZ-CG2 3.76Å; F319-F402 HydrophobicContact CB-CD2 3.92Å; F319-F402 HydrophobicContact CB-CE2 4.24Å; F319-F402 HydrophobicContact CD2-CE2 4.45Å; F319-F402 HydrophobicContact CG-CD2 4.28Å; F319-F402 HydrophobicContact CG-CE2 4.32Å; F319-I470 HydrophobicContact CE2-CD1 4.45Å; F319-I470 HydrophobicContact CZ-CD1 4.42Å; F319-L542 CarbonylContact C-O 3.48Å; F319-L542 HydrophobicContact CD2-CD1 4.49Å; F319-L542 HydrophobicContact CD2-CD2 4.34Å
320	Y	68.3	Low	70.2	Confident	79 Å²	79	59.6 Å²	59.6	31%	0.31	31%	0.308	S	S	.	.			trans	-68.1	116.9	179.6	-178.2	-84.2	0	0	0	110.5	R315 E322	R315-Y320 VanDerWaalsContact CZ-CD1 3.44Å; Y320-E322 HydrophobicContact CE1-CB 3.95Å; Y320-E322 PolarHBondContact OH-OE2 2.98Å
321	V	68.9	Low	71	Confident	12 Å²	12	59.4 Å²	59.4	7%	0.073	31%	0.307	C	S	.	.			trans	-132	123.4	173.6	-173.6	0	0	0	0	108.5	F319 Y323 F402 N403 T543	F319-V321 PolarHBondContact O-N 3.46Å; F319-V321 VanDerWaalsContact O-N 3.14Å; V321-Y323 HydrophobicContact CB-CE2 3.83Å; V321-Y323 HydrophobicContact CG1-CD1 4.32Å; V321-Y323 HydrophobicContact CG1-CD2 4.11Å; V321-Y323 HydrophobicContact CG1-CE1 3.83Å; V321-Y323 HydrophobicContact CG1-CE2 3.55Å; V321-Y323 HydrophobicContact CG1-CG 4.45Å; V321-Y323 VanDerWaalsContact CG1-CZ 3.44Å; V321-F402 HydrophobicContact CG2-CB 3.79Å; V321-N403 WeakPolarHBondContact CG2-OD1 3.46Å; V321-T543 VanDerWaalsContact O-O 3.11Å
322	E	67.6	Low	72.1	Confident	116 Å²	116	60 Å²	60	54%	0.542	31%	0.311	S	S	.	.			trans	-102.7	113.5	175.3	-170.3	167.2	-162.6	0	0	108.2	Y320	Y320-E322 HydrophobicContact CE1-CB 3.95Å; Y320-E322 PolarHBondContact OH-OE2 2.98Å
323	Y	72.3	Confident	73.5	Confident	13 Å²	13	65.6 Å²	65.6	5%	0.051	33%	0.325	C	S	.	.			trans	-96.4	132.1	177	-59.2	-88.4	0	0	0	108.8	V321 F402 D404 T512 G514 M518 Y548	V321-Y323 HydrophobicContact CB-CE2 3.83Å; V321-Y323 HydrophobicContact CG1-CD1 4.32Å; V321-Y323 HydrophobicContact CG1-CD2 4.11Å; V321-Y323 HydrophobicContact CG1-CE1 3.83Å; V321-Y323 HydrophobicContact CG1-CE2 3.55Å; V321-Y323 HydrophobicContact CG1-CG 4.45Å; V321-Y323 VanDerWaalsContact CG1-CZ 3.44Å; Y323-F402 PolarHBondContact OH-O 3.13Å; Y323-D404 WeakPolarHBondContact CD1-OD2 3.23Å; Y323-D404 WeakPolarHBondContact CE1-OD2 3.49Å; Y323-T512 HydrophobicContact CD1-CG2 4.19Å; Y323-G514 PolarHBondContact OH-O 2.92Å; Y323-M518 HydrophobicContact CD2-CE 3.87Å; Y323-M518 HydrophobicContact CE2-CE 3.05Å; Y323-M518 HydrophobicContact CE2-SD 3.51Å; Y323-M518 VanDerWaalsContact CE2-SD 3.51Å; Y323-M518 WeakPolarHBondContact OH-CE 3.41Å; Y323-M518 PolarHBondContact OH-SD 2.88Å; Y323-Y548 WeakPolarHBondContact CB-OH 3.47Å; Y323-Y548 HydrophobicContact CD2-CD2 4.31Å; Y323-Y548 AromaticContact CD2-CE2 3.78Å; Y323-Y548 HydrophobicContact CD2-CE2 3.78Å; Y323-Y548 HydrophobicContact CG-CE2 4.27Å; Y323-Y548 PolarHBondContact O-OH 3.49Å
324	H	66.4	Low	75	Confident	143 Å²	143	62 Å²	62	66%	0.662	31%	0.307	S	S	*	.			trans	-91.3	-13.8	-176.1	-62.3	-55	0	0	0	113.7
325	T	71.6	Confident	76.5	Confident	21 Å²	21	58.3 Å²	58.3	13%	0.129	28%	0.281	C	S	.	.	S	Bend	trans	-99.8	131.5	-177.2	60.3	0	0	0	0	112.4	D509 T512 Y548	T325-D509 HydrophobicContact CG2-CB 3.67Å; T325-T512 HydrophobicContact CG2-CG2 4.46Å; T325-T512 WeakPolarHBondContact OG1-CG2 3.31Å; T325-Y548 PolarHBondContact O-OH 3.18Å
326	P	78.6	Confident	78.1	Confident	68 Å²	68	55.6 Å²	55.6	44%	0.442	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-70.1	148.3	172.1	30.9	-34.6	0	0	0	111
327	W	84.8	Confident	80	Confident	39 Å²	39	58 Å²	58	15%	0.148	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-83.8	151.1	174.5	68.8	-85.1	0	0	0	111.6	M329 L515 E547 V550 P551	W327-M329 HydrophobicContact CH2-CE 3.35Å; W327-M329 HydrophobicContact CH2-SD 3.91Å; W327-M329 HydrophobicContact CZ2-CE 4.04Å; W327-M329 HydrophobicContact CZ3-CE 3.91Å; W327-M329 HydrophobicContact CZ3-SD 3.99Å; W327-L515 HydrophobicContact CB-CD2 3.89Å; W327-E547 PolarHBondContact NE1-O 3.35Å; W327-V550 HydrophobicContact CH2-CB 4.25Å; W327-V550 HydrophobicContact CH2-CG1 3.82Å; W327-V550 HydrophobicContact CZ2-CB 3.76Å; W327-V550 HydrophobicContact CZ2-CG1 3.86Å; W327-P551 HydrophobicContact CD2-CG 3.55Å; W327-P551 HydrophobicContact CE3-CG 3.89Å; W327-P551 HydrophobicContact CG-CG 3.93Å; W327-P551 HydrophobicContact CH2-CG 4.33Å; W327-P551 HydrophobicContact CZ2-CG 4.05Å; W327-P551 HydrophobicContact CZ3-CG 4.25Å
328	Y	85.6	Confident	81.7	Confident	85 Å²	85	57 Å²	57	33%	0.333	28%	0.281	S	S	.	.			trans	-108.2	152.1	-178.8	-63.1	-90.7	0	0	0	113.1	A330 E331 W503	Y328-A330 PolarHBondContact O-N 3.06Å; Y328-A330 VanDerWaalsContact O-N 3.08Å; Y328-E331 PolarHBondContact N-OE1 3.13Å; Y328-E331 VanDerWaalsContact O-CB 3.29Å; Y328-E331 WeakPolarHBondContact O-CB 3.43Å; Y328-E331 PolarHBondContact O-N 3.4Å; Y328-W503 VanDerWaalsContact CB-CE3 3.46Å; Y328-W503 HydrophobicContact CD1-CB 3.54Å; Y328-W503 HydrophobicContact CD1-CD2 4.4Å; Y328-W503 HydrophobicContact CD1-CE3 4.2Å; Y328-W503 HydrophobicContact CD1-CG 4.2Å; Y328-W503 HydrophobicContact CD2-CB 4.44Å; Y328-W503 HydrophobicContact CD2-CD2 4.15Å; Y328-W503 AromaticContact CD2-CE3 3.21Å; Y328-W503 HydrophobicContact CD2-CE3 3.21Å; Y328-W503 AromaticContact CD2-CZ3 3.78Å; Y328-W503 HydrophobicContact CD2-CZ3 3.78Å; Y328-W503 HydrophobicContact CE1-CB 3.64Å; Y328-W503 AromaticContact CE2-CE3 3.91Å; Y328-W503 HydrophobicContact CE2-CE3 3.91Å; Y328-W503 HydrophobicContact CG-CB 3.95Å; Y328-W503 AromaticContact CG-CD2 3.89Å; Y328-W503 HydrophobicContact CG-CD2 3.89Å; Y328-W503 AromaticContact CG-CE3 3.35Å; Y328-W503 HydrophobicContact CG-CE3 3.35Å; Y328-W503 HydrophobicContact CG-CG 4.18Å; Y328-W503 HydrophobicContact CG-CZ3 4.08Å
329	M	85.6	Confident	83.3	Confident	140 Å²	140	55 Å²	55	69%	0.69	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.8	-178.2	-72.9	-70.2	151.4	0	0	114.3	W327 E331 L332	W327-M329 HydrophobicContact CH2-CE 3.35Å; W327-M329 HydrophobicContact CH2-SD 3.91Å; W327-M329 HydrophobicContact CZ2-CE 4.04Å; W327-M329 HydrophobicContact CZ3-CE 3.91Å; W327-M329 HydrophobicContact CZ3-SD 3.99Å; M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 PolarHBondContact O-N 3.23Å; M329-L332 WeakPolarHBondContact O-CB 3.37Å; M329-L332 PolarHBondContact O-N 3.31Å
330	A	85.3	Confident	84.8	Confident	43 Å²	43	57.3 Å²	57.3	36%	0.355	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.9	-29.2	176.1	0	0	0	0	0	112.5	Y328 L332 F333 I499 W503	Y328-A330 PolarHBondContact O-N 3.06Å; Y328-A330 VanDerWaalsContact O-N 3.08Å; A330-L332 PolarHBondContact O-N 3.23Å; A330-F333 PolarHBondContact O-N 3.34Å; A330-I499 HydrophobicContact CB-CG2 4.43Å; A330-W503 HydrophobicContact CB-CH2 4.15Å; A330-W503 HydrophobicContact CB-CZ2 3.42Å; A330-W503 VanDerWaalsContact CB-CZ2 3.42Å
331	E	88.1	Confident	86.2	Confident	4 Å²	4	57 Å²	57	2%	0.019	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-70.9	-14	175.8	-58.7	-173.9	-111.5	0	0	112.8	Y328 M329 F333 P334 F335 W503 Y516	Y328-E331 PolarHBondContact N-OE1 3.13Å; Y328-E331 VanDerWaalsContact O-CB 3.29Å; Y328-E331 WeakPolarHBondContact O-CB 3.43Å; Y328-E331 PolarHBondContact O-N 3.4Å; M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 PolarHBondContact O-N 3.23Å; E331-F333 PolarHBondContact O-N 2.94Å; E331-P334 WeakPolarHBondContact O-CD 3.41Å; E331-P334 WeakPolarHBondContact O-CG 3.29Å; E331-F335 HydrophobicContact CB-CD2 4.25Å; E331-F335 HydrophobicContact CB-CE2 3.62Å; E331-F335 HydrophobicContact CB-CZ 3.92Å; E331-F335 WeakPolarHBondContact O-CD2 3.39Å; E331-F335 WeakPolarHBondContact O-CG 3.38Å; E331-F335 PolarHBondContact O-N 2.9Å; E331-F335 VanDerWaalsContact O-N 3.14Å; E331-W503 HydrophobicContact CG-CH2 3.5Å; E331-W503 VanDerWaalsContact CG-CH2 3.5Å; E331-W503 HydrophobicContact CG-CZ3 3.59Å; E331-Y516 WeakPolarHBondContact CB-OH 3.34Å; E331-Y516 WeakPolarHBondContact CG-OH 3.4Å; E331-Y516 WeakPolarHBondContact OE2-CE2 3.42Å; E331-Y516 PolarHBondContact OE2-OH 3.33Å
332	L	90.9	Very high	87.6	Confident	47 Å²	47	56.4 Å²	56.4	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-31.9	174.5	-169.4	63.6	0	0	0	112.2	M329 A330 F335 I336 A554	M329-L332 WeakPolarHBondContact O-CB 3.37Å; M329-L332 PolarHBondContact O-N 3.31Å; A330-L332 PolarHBondContact O-N 3.23Å; L332-F335 PolarHBondContact O-N 3.39Å; L332-I336 HydrophobicContact CG-CD1 4.02Å; L332-I336 HydrophobicContact CG-CG1 4.46Å; L332-I336 VanDerWaalsContact O-CG1 3.26Å; L332-I336 WeakPolarHBondContact O-CG1 3.33Å; L332-I336 PolarHBondContact O-N 3.07Å; L332-A554 HydrophobicContact CD1-CB 3.73Å
333	F	92.6	Very high	89	Confident	155 Å²	155	50.9 Å²	50.9	68%	0.68	26%	0.256	S	S	*	.	H	α-helix	trans	-62.5	-55.5	177.9	178.3	-98.4	0	0	0	112.8	A330 E331 F335 I336 L337	A330-F333 PolarHBondContact O-N 3.34Å; E331-F333 PolarHBondContact O-N 2.94Å; F333-F335 VanDerWaalsContact C-N 3.29Å; F333-F335 PolarHBondContact O-N 3.46Å; F333-I336 PolarHBondContact O-N 3.42Å; F333-L337 PolarHBondContact O-N 3.31Å
334	P	93.6	Very high	90.1	Very high	18 Å²	18	54.1 Å²	54.1	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-29.1	175.8	26.4	-35.6	0	0	0	113.1	E331 L337 L338 V483 V487 Y516	E331-P334 WeakPolarHBondContact O-CD 3.41Å; E331-P334 WeakPolarHBondContact O-CG 3.29Å; P334-L337 WeakPolarHBondContact O-CB 3.41Å; P334-L337 PolarHBondContact O-N 3.11Å; P334-L338 WeakPolarHBondContact O-CG 3.42Å; P334-L338 PolarHBondContact O-N 2.84Å; P334-V483 HydrophobicContact CB-CG1 4.38Å; P334-V487 HydrophobicContact CB-CG2 4.4Å; P334-Y516 HydrophobicContact CB-CE1 3.86Å; P334-Y516 HydrophobicContact CG-CE1 3.74Å
335	F	95.6	Very high	91.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-40.8	171.2	-63.1	-33.1	0	0	0	112.8	E331 L332 F333 L337 L338 G339 L515 Y516 V519 P551	E331-F335 HydrophobicContact CB-CD2 4.25Å; E331-F335 HydrophobicContact CB-CE2 3.62Å; E331-F335 HydrophobicContact CB-CZ 3.92Å; E331-F335 WeakPolarHBondContact O-CD2 3.39Å; E331-F335 WeakPolarHBondContact O-CG 3.38Å; E331-F335 PolarHBondContact O-N 2.9Å; E331-F335 VanDerWaalsContact O-N 3.14Å; L332-F335 PolarHBondContact O-N 3.39Å; F333-F335 VanDerWaalsContact C-N 3.29Å; F333-F335 PolarHBondContact O-N 3.46Å; F335-L337 VanDerWaalsContact C-N 3.34Å; F335-L338 PolarHBondContact O-N 3.07Å; F335-G339 PolarHBondContact O-N 2.67Å; F335-L515 HydrophobicContact CE1-CG 4.48Å; F335-L515 HydrophobicContact CZ-CD2 3.92Å; F335-L515 HydrophobicContact CZ-CG 4.1Å; F335-Y516 HydrophobicContact CD1-CD1 4.12Å; F335-Y516 HydrophobicContact CD1-CE1 4.07Å; F335-Y516 AromaticContact CE1-CD1 3.76Å; F335-Y516 HydrophobicContact CE1-CD1 3.76Å; F335-Y516 AromaticContact CE1-CD2 3.84Å; F335-Y516 HydrophobicContact CE1-CD2 3.84Å; F335-Y516 AromaticContact CE1-CE1 3.68Å; F335-Y516 HydrophobicContact CE1-CE1 3.68Å; F335-Y516 AromaticContact CE1-CE2 3.73Å; F335-Y516 HydrophobicContact CE1-CE2 3.73Å; F335-Y516 AromaticContact CE1-CG 3.83Å; F335-Y516 HydrophobicContact CE1-CG 3.83Å; F335-Y516 AromaticContact CE1-CZ 3.64Å; F335-Y516 HydrophobicContact CZ-CD2 4.38Å; F335-Y516 HydrophobicContact CZ-CE1 4.46Å; F335-Y516 AromaticContact CZ-CE2 3.96Å; F335-Y516 HydrophobicContact CZ-CE2 3.96Å; F335-Y516 AromaticContact CZ-CZ 3.99Å; F335-V519 HydrophobicContact CB-CG1 3.99Å; F335-V519 HydrophobicContact CD1-CB 4.01Å; F335-V519 HydrophobicContact CD1-CG1 3.74Å; F335-V519 HydrophobicContact CD1-CG2 3.98Å; F335-V519 HydrophobicContact CE1-CB 4.38Å; F335-V519 HydrophobicContact CE1-CG2 4.05Å; F335-V519 HydrophobicContact CG-CG1 4.06Å; F335-V519 HydrophobicContact CG-CG2 4.45Å; F335-P551 HydrophobicContact CD2-CB 3.59Å; F335-P551 HydrophobicContact CD2-CG 4.05Å; F335-P551 HydrophobicContact CE2-CB 3.74Å; F335-P551 HydrophobicContact CE2-CG 3.87Å; F335-P551 HydrophobicContact CG-CB 4.24Å; F335-P551 HydrophobicContact CZ-CB 4.48Å
336	I	96.4	Very high	92.7	Very high	64 Å²	64	46.8 Å²	46.8	33%	0.328	24%	0.238	S	C	.	.	H	α-helix	trans	-65.3	-39.1	173.7	-70.1	167.2	0	0	0	110.7	L332 F333 L338 G339 V340 T558	L332-I336 HydrophobicContact CG-CD1 4.02Å; L332-I336 HydrophobicContact CG-CG1 4.46Å; L332-I336 VanDerWaalsContact O-CG1 3.26Å; L332-I336 WeakPolarHBondContact O-CG1 3.33Å; L332-I336 PolarHBondContact O-N 3.07Å; F333-I336 PolarHBondContact O-N 3.42Å; I336-L338 VanDerWaalsContact C-N 3.34Å; I336-L338 PolarHBondContact O-N 3.38Å; I336-G339 CarbonylContact O-C 3.59Å; I336-G339 WeakPolarHBondContact O-CA 3.47Å; I336-G339 PolarHBondContact O-N 3.44Å; I336-G339 VanDerWaalsContact O-N 3.08Å; I336-V340 WeakPolarHBondContact O-CG2 3.44Å; I336-V340 PolarHBondContact O-N 3.08Å; I336-T558 HydrophobicContact CG1-CG2 4.35Å; I336-T558 HydrophobicContact CG2-CG2 4.16Å
337	L	96.8	Very high	93.5	Very high	98 Å²	98	44.1 Å²	44.1	51%	0.513	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-42.5	175.6	-170	82.2	0	0	0	111.6	F333 P334 F335 G339 V340 F341	F333-L337 PolarHBondContact O-N 3.31Å; P334-L337 WeakPolarHBondContact O-CB 3.41Å; P334-L337 PolarHBondContact O-N 3.11Å; F335-L337 VanDerWaalsContact C-N 3.34Å; L337-G339 VanDerWaalsContact C-N 3.29Å; L337-G339 PolarHBondContact O-N 3.49Å; L337-V340 PolarHBondContact O-N 3.36Å; L337-F341 PolarHBondContact O-N 3.22Å
338	L	97.1	Very high	94	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-38.4	172.3	-72.8	174.5	0	0	0	111.6	P334 F335 I336 F341 G342 V483 Y516 V519 A523	P334-L338 WeakPolarHBondContact O-CG 3.42Å; P334-L338 PolarHBondContact O-N 2.84Å; F335-L338 PolarHBondContact O-N 3.07Å; I336-L338 VanDerWaalsContact C-N 3.34Å; I336-L338 PolarHBondContact O-N 3.38Å; L338-F341 PolarHBondContact O-N 3.38Å; L338-G342 PolarHBondContact O-N 3.3Å; L338-V483 HydrophobicContact CD2-CB 4.18Å; L338-V483 HydrophobicContact CD2-CG2 3.9Å; L338-Y516 HydrophobicContact CD1-CD1 4.1Å; L338-V519 HydrophobicContact CD1-CG1 4.43Å; L338-A523 WeakPolarHBondContact O-CB 3.46Å
339	G	97.5	Very high	94.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-52.7	169.3	0	0	0	0	0	112.6	F335 I336 L337 F341 G342 G343 A555 S559	F335-G339 PolarHBondContact O-N 2.67Å; I336-G339 CarbonylContact O-C 3.59Å; I336-G339 WeakPolarHBondContact O-CA 3.47Å; I336-G339 PolarHBondContact O-N 3.44Å; I336-G339 VanDerWaalsContact O-N 3.08Å; L337-G339 VanDerWaalsContact C-N 3.29Å; L337-G339 PolarHBondContact O-N 3.49Å; G339-F341 VanDerWaalsContact C-N 3.34Å; G339-F341 PolarHBondContact O-N 2.81Å; G339-G342 PolarHBondContact O-N 3.32Å; G339-G343 PolarHBondContact O-N 2.78Å; G339-A555 WeakPolarHBondContact CA-O 2.94Å; G339-S559 WeakPolarHBondContact O-CA 3.26Å; G339-S559 VanDerWaalsContact O-CB 3.24Å; G339-S559 WeakPolarHBondContact O-CB 3.45Å
340	V	98.1	Very high	95	Very high	53 Å²	53	36.6 Å²	36.6	32%	0.321	19%	0.191	S	C	.	.	H	α-helix	trans	-58.6	-45.4	177.4	176.2	0	0	0	0	111.3	I336 L337 G342 G343 L344 V562	I336-V340 WeakPolarHBondContact O-CG2 3.44Å; I336-V340 PolarHBondContact O-N 3.08Å; L337-V340 PolarHBondContact O-N 3.36Å; V340-G342 PolarHBondContact O-N 2.95Å; V340-G343 PolarHBondContact O-N 2.66Å; V340-L344 HydrophobicContact CG1-CD1 4.05Å; V340-L344 HydrophobicContact CG1-CG 4.44Å; V340-L344 WeakPolarHBondContact O-CG 3.44Å; V340-L344 PolarHBondContact O-N 2.99Å; V340-V562 HydrophobicContact CB-CG2 4.43Å; V340-V562 HydrophobicContact CG1-CG2 4.4Å; V340-V562 HydrophobicContact CG2-CG2 4.1Å
341	F	97.4	Very high	95.4	Very high	72 Å²	72	41.8 Å²	41.8	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-58.1	-47.1	175.4	172.7	-99.4	0	0	0	111.8	L337 L338 G339 G343 L344 W345 A479	L337-F341 PolarHBondContact O-N 3.22Å; L338-F341 PolarHBondContact O-N 3.38Å; G339-F341 VanDerWaalsContact C-N 3.34Å; G339-F341 PolarHBondContact O-N 2.81Å; F341-G343 VanDerWaalsContact C-N 3.32Å; F341-G343 PolarHBondContact O-N 3.46Å; F341-L344 PolarHBondContact O-N 3.28Å; F341-W345 VanDerWaalsContact O-CB 3.31Å; F341-W345 WeakPolarHBondContact O-CB 3.34Å; F341-W345 PolarHBondContact O-N 2.93Å; F341-A479 HydrophobicContact CD1-CB 4.08Å; F341-A479 HydrophobicContact CE1-CB 3.49Å; F341-A479 VanDerWaalsContact CE1-CB 3.49Å; F341-A479 HydrophobicContact CZ-CB 4.03Å
342	G	96.9	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-39.4	178.1	0	0	0	0	0	113.3	L338 G339 V340 G346 S559	L338-G342 PolarHBondContact O-N 3.3Å; G339-G342 PolarHBondContact O-N 3.32Å; V340-G342 PolarHBondContact O-N 2.95Å; G342-G346 PolarHBondContact O-N 2.77Å; G342-S559 VanDerWaalsContact C-OG 3.29Å
343	G	97	Very high	96	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71.2	-40.3	178.4	0	0	0	0	0	113.4	G339 V340 F341 T347 S559	G339-G343 PolarHBondContact O-N 2.78Å; V340-G343 PolarHBondContact O-N 2.66Å; F341-G343 VanDerWaalsContact C-N 3.32Å; F341-G343 PolarHBondContact O-N 3.46Å; G343-T347 WeakPolarHBondContact O-CB 3.44Å; G343-T347 PolarHBondContact O-N 3.17Å; G343-T347 PolarHBondContact O-OG1 3.21Å; G343-S559 VanDerWaalsContact CA-O 3.28Å; G343-S559 WeakPolarHBondContact CA-O 3.38Å; G343-S559 WeakPolarHBondContact CA-OG 3.4Å; G343-S559 PolarHBondContact N-OG 3.26Å; G343-S559 VanDerWaalsContact N-OG 3.08Å
344	L	97	Very high	96	Very high	81 Å²	81	35.4 Å²	35.4	42%	0.424	18%	0.178	S	C	.	.	H	α-helix	trans	-65.1	-45.5	174	-69.9	175.2	0	0	0	111.4	V340 F341 T347 L348 V562 F566	V340-L344 HydrophobicContact CG1-CD1 4.05Å; V340-L344 HydrophobicContact CG1-CG 4.44Å; V340-L344 WeakPolarHBondContact O-CG 3.44Å; V340-L344 PolarHBondContact O-N 2.99Å; F341-L344 PolarHBondContact O-N 3.28Å; L344-T347 PolarHBondContact O-N 2.93Å; L344-L348 WeakPolarHBondContact O-CB 3.12Å; L344-L348 PolarHBondContact O-N 3.45Å; L344-V562 HydrophobicContact CD2-CG1 4.08Å; L344-V562 HydrophobicContact CG-CG1 4.02Å; L344-F566 HydrophobicContact CD2-CD2 4.4Å; L344-F566 HydrophobicContact CD2-CE2 3.57Å; L344-F566 HydrophobicContact CD2-CZ 4Å
345	W	95.6	Very high	96	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.038	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-50.9	174.3	164.2	-119.4	0	0	0	111.4	F341 T347 L348 F349 I453 I457 V475	F341-W345 VanDerWaalsContact O-CB 3.31Å; F341-W345 WeakPolarHBondContact O-CB 3.34Å; F341-W345 PolarHBondContact O-N 2.93Å; W345-T347 VanDerWaalsContact C-N 3.29Å; W345-T347 PolarHBondContact O-N 2.98Å; W345-L348 HydrophobicContact CE3-CD2 4.44Å; W345-L348 PolarHBondContact O-N 2.93Å; W345-F349 HydrophobicContact CD2-CB 4.41Å; W345-F349 HydrophobicContact CE3-CB 4.41Å; W345-F349 HydrophobicContact CH2-CB 4.01Å; W345-F349 AromaticContact CH2-CD2 3.75Å; W345-F349 HydrophobicContact CH2-CD2 3.75Å; W345-F349 HydrophobicContact CH2-CG 4.32Å; W345-F349 HydrophobicContact CZ2-CB 4.03Å; W345-F349 AromaticContact CZ2-CD2 3.76Å; W345-F349 HydrophobicContact CZ2-CD2 3.76Å; W345-F349 HydrophobicContact CZ2-CG 4.18Å; W345-F349 HydrophobicContact CZ3-CB 4.17Å; W345-F349 WeakPolarHBondContact O-CB 2.97Å; W345-F349 PolarHBondContact O-N 3.46Å; W345-I453 HydrophobicContact CD2-CG1 4.43Å; W345-I453 HydrophobicContact CE3-CD1 4.46Å; W345-I453 HydrophobicContact CE3-CG1 4.05Å; W345-I453 HydrophobicContact CE3-CG2 4.17Å; W345-I453 HydrophobicContact CH2-CB 3.91Å; W345-I453 HydrophobicContact CH2-CG1 3.87Å; W345-I453 HydrophobicContact CH2-CG2 3.77Å; W345-I453 WeakPolarHBondContact CH2-O 3.39Å; W345-I453 HydrophobicContact CZ2-CG1 4.23Å; W345-I453 HydrophobicContact CZ3-CB 3.91Å; W345-I453 HydrophobicContact CZ3-CG1 3.8Å; W345-I453 HydrophobicContact CZ3-CG2 3.36Å; W345-I457 HydrophobicContact CH2-CD1 4.4Å; W345-I457 HydrophobicContact CH2-CG1 4.31Å; W345-I457 HydrophobicContact CZ3-CD1 4.41Å; W345-V475 HydrophobicContact CD2-CG1 4.27Å; W345-V475 HydrophobicContact CG-CG1 4.38Å; W345-V475 HydrophobicContact CZ2-CG1 4.37Å; W345-V475 HydrophobicContact CZ2-CG2 4.35Å
346	G	96.1	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-42.4	-180	0	0	0	0	0	112.7	G342 F349 I350	G342-G346 PolarHBondContact O-N 2.77Å; G346-F349 PolarHBondContact O-N 3.39Å; G346-I350 WeakPolarHBondContact O-CD1 3.5Å; G346-I350 WeakPolarHBondContact O-CG1 3.46Å; G346-I350 PolarHBondContact O-N 3.47Å
347	T	95.8	Very high	95.7	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-48.5	175.6	-59.9	0	0	0	0	112.3	G343 L344 W345 F349 I350 R351 A563 F566	G343-T347 WeakPolarHBondContact O-CB 3.44Å; G343-T347 PolarHBondContact O-N 3.17Å; G343-T347 PolarHBondContact O-OG1 3.21Å; L344-T347 PolarHBondContact O-N 2.93Å; W345-T347 VanDerWaalsContact C-N 3.29Å; W345-T347 PolarHBondContact O-N 2.98Å; T347-F349 VanDerWaalsContact C-N 3.34Å; T347-I350 PolarHBondContact O-N 2.98Å; T347-R351 WeakPolarHBondContact O-CG 3.41Å; T347-R351 PolarHBondContact O-N 2.94Å; T347-R351 VanDerWaalsContact O-N 3.1Å; T347-A563 WeakPolarHBondContact OG1-CA 3.32Å; T347-F566 HydrophobicContact CG2-CB 3.33Å; T347-F566 HydrophobicContact CG2-CD2 4.35Å; T347-F566 HydrophobicContact CG2-CG 3.94Å
348	L	95.7	Very high	95.3	Very high	91 Å²	91	41.1 Å²	41.1	48%	0.476	20%	0.2	S	C	.	.	H	α-helix	trans	-59.1	-48.2	178.4	177.6	66.2	0	0	0	110.5	L344 W345 R351 C352	L344-L348 WeakPolarHBondContact O-CB 3.12Å; L344-L348 PolarHBondContact O-N 3.45Å; W345-L348 HydrophobicContact CE3-CD2 4.44Å; W345-L348 PolarHBondContact O-N 2.93Å; L348-R351 PolarHBondContact O-N 3.33Å; L348-C352 WeakPolarHBondContact O-CB 3Å; L348-C352 PolarHBondContact O-N 2.91Å; L348-C352 PolarHBondContact O-SG 3.33Å; L348-C352 VanDerWaalsContact O-SG 3.37Å
349	F	96.3	Very high	95	Very high	1 Å²	1	48 Å²	48	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-51.8	178.9	175.8	-93.6	0	0	0	111.7	W345 G346 T347 R351 C352 N353 I457 F460 L468 V528 I571	W345-F349 HydrophobicContact CD2-CB 4.41Å; W345-F349 HydrophobicContact CE3-CB 4.41Å; W345-F349 HydrophobicContact CH2-CB 4.01Å; W345-F349 AromaticContact CH2-CD2 3.75Å; W345-F349 HydrophobicContact CH2-CD2 3.75Å; W345-F349 HydrophobicContact CH2-CG 4.32Å; W345-F349 HydrophobicContact CZ2-CB 4.03Å; W345-F349 AromaticContact CZ2-CD2 3.76Å; W345-F349 HydrophobicContact CZ2-CD2 3.76Å; W345-F349 HydrophobicContact CZ2-CG 4.18Å; W345-F349 HydrophobicContact CZ3-CB 4.17Å; W345-F349 WeakPolarHBondContact O-CB 2.97Å; W345-F349 PolarHBondContact O-N 3.46Å; G346-F349 PolarHBondContact O-N 3.39Å; T347-F349 VanDerWaalsContact C-N 3.34Å; F349-R351 PolarHBondContact O-N 3.33Å; F349-C352 PolarHBondContact O-N 3.26Å; F349-N353 HydrophobicContact CE1-CB 4.38Å; F349-N353 HydrophobicContact CZ-CB 4.32Å; F349-N353 WeakPolarHBondContact O-CB 3.22Å; F349-N353 PolarHBondContact O-N 3.25Å; F349-I457 HydrophobicContact CD2-CG1 3.7Å; F349-I457 HydrophobicContact CE2-CG1 4.12Å; F349-F460 HydrophobicContact CZ-CB 4.12Å; F349-F460 HydrophobicContact CZ-CD1 4.23Å; F349-F460 HydrophobicContact CZ-CG 4.37Å; F349-L468 HydrophobicContact CE1-CD1 4Å; F349-L468 HydrophobicContact CE1-CD2 3.54Å; F349-L468 HydrophobicContact CE1-CG 4.39Å; F349-L468 HydrophobicContact CE2-CD1 4.21Å; F349-L468 HydrophobicContact CZ-CD1 3.52Å; F349-L468 HydrophobicContact CZ-CD2 3.88Å; F349-L468 HydrophobicContact CZ-CG 4.35Å; F349-V528 HydrophobicContact CD1-CG1 4.05Å; F349-V528 HydrophobicContact CD1-CG2 4.31Å; F349-V528 HydrophobicContact CE1-CG1 4.19Å; F349-I571 HydrophobicContact CD1-CD1 4.35Å; F349-I571 HydrophobicContact CE1-CD1 3.8Å; F349-I571 HydrophobicContact CE1-CG1 4.11Å
350	I	95.3	Very high	94.5	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-49.1	-178.6	-67.2	163.7	0	0	0	110.5	G346 T347 N353 I354 I571 A574	G346-I350 WeakPolarHBondContact O-CD1 3.5Å; G346-I350 WeakPolarHBondContact O-CG1 3.46Å; G346-I350 PolarHBondContact O-N 3.47Å; T347-I350 PolarHBondContact O-N 2.98Å; I350-N353 PolarHBondContact O-N 3.14Å; I350-I354 HydrophobicContact CG2-CG1 4.29Å; I350-I354 WeakPolarHBondContact O-CB 3.38Å; I350-I354 WeakPolarHBondContact O-CG1 3.32Å; I350-I354 PolarHBondContact O-N 3.09Å; I350-I571 HydrophobicContact CG1-CB 4.13Å; I350-I571 HydrophobicContact CG1-CD1 4.13Å; I350-A574 HydrophobicContact CG2-CB 4.14Å
351	R	94.6	Very high	93.8	Very high	152 Å²	152	51.5 Å²	51.5	57%	0.574	24%	0.237	S	C	*	.	H	α-helix	trans	-62.9	-47.2	-178.5	-72.2	-176	177.5	-172.9	0.4	112.1	T347 L348 F349 A355 F566	T347-R351 WeakPolarHBondContact O-CG 3.41Å; T347-R351 PolarHBondContact O-N 2.94Å; T347-R351 VanDerWaalsContact O-N 3.1Å; L348-R351 PolarHBondContact O-N 3.33Å; F349-R351 PolarHBondContact O-N 3.33Å; R351-A355 VanDerWaalsContact O-CB 3.29Å; R351-A355 WeakPolarHBondContact O-CB 3.34Å; R351-A355 PolarHBondContact O-N 3.16Å; R351-F566 PolarHBondContact NH2-O 3.4Å
352	C	95.5	Very high	93.2	Very high	50 Å²	50	53.2 Å²	53.2	34%	0.338	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-44.1	179.5	-71.5	0	0	0	0	111.8	L348 F349 A355 W356 I457	L348-C352 WeakPolarHBondContact O-CB 3Å; L348-C352 PolarHBondContact O-N 2.91Å; L348-C352 PolarHBondContact O-SG 3.33Å; L348-C352 VanDerWaalsContact O-SG 3.37Å; F349-C352 PolarHBondContact O-N 3.26Å; C352-A355 PolarHBondContact O-N 3.21Å; C352-W356 WeakPolarHBondContact O-CB 3.19Å; C352-W356 PolarHBondContact O-N 3.24Å; C352-I457 HydrophobicContact CB-CD1 4.1Å; C352-I457 HydrophobicContact CB-CG2 3.83Å
353	N	95.3	Very high	92.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-45.2	179.9	-178.7	-96.8	0	0	0	111.5	F349 I350 A355 W356 C357 I457 F460 H575	F349-N353 HydrophobicContact CE1-CB 4.38Å; F349-N353 HydrophobicContact CZ-CB 4.32Å; F349-N353 WeakPolarHBondContact O-CB 3.22Å; F349-N353 PolarHBondContact O-N 3.25Å; I350-N353 PolarHBondContact O-N 3.14Å; N353-A355 PolarHBondContact O-N 3.08Å; N353-W356 PolarHBondContact O-N 2.66Å; N353-C357 WeakPolarHBondContact O-CB 3.39Å; N353-C357 PolarHBondContact O-N 2.98Å; N353-C357 PolarHBondContact O-SG 3.12Å; N353-C357 VanDerWaalsContact O-SG 3.34Å; N353-I457 PolarHBondContact ND2-O 3.32Å; N353-F460 PolarHBondContact ND2-O 3.32Å; N353-H575 PolarHBondContact OD1-CE1 3.44Å
354	I	93.3	Very high	91.8	Very high	22 Å²	22	64.7 Å²	64.7	11%	0.113	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-40.2	177.9	-65.5	-66.5	0	0	0	111.5	I350 W356 C357 R358 A574 L578	I350-I354 HydrophobicContact CG2-CG1 4.29Å; I350-I354 WeakPolarHBondContact O-CB 3.38Å; I350-I354 WeakPolarHBondContact O-CG1 3.32Å; I350-I354 PolarHBondContact O-N 3.09Å; I354-W356 VanDerWaalsContact C-N 3.31Å; I354-W356 PolarHBondContact O-N 2.85Å; I354-C357 PolarHBondContact O-N 3.5Å; I354-R358 VanDerWaalsContact O-CB 3.3Å; I354-R358 WeakPolarHBondContact O-CB 3.35Å; I354-R358 PolarHBondContact O-N 3.19Å; I354-A574 HydrophobicContact CD1-CB 3.64Å; I354-A574 HydrophobicContact CG1-CB 3.83Å; I354-L578 HydrophobicContact CD1-CB 4.49Å; I354-L578 HydrophobicContact CD1-CD2 4.21Å
355	A	93.3	Very high	90.8	Very high	61 Å²	61	64.5 Å²	64.5	50%	0.504	30%	0.299	S	S	.	.	H	α-helix	trans	-59.8	-43	173.9	0	0	0	0	0	111.5	R351 C352 N353 R358 R359	R351-A355 VanDerWaalsContact O-CB 3.29Å; R351-A355 WeakPolarHBondContact O-CB 3.34Å; R351-A355 PolarHBondContact O-N 3.16Å; C352-A355 PolarHBondContact O-N 3.21Å; N353-A355 PolarHBondContact O-N 3.08Å; A355-R358 PolarHBondContact O-N 3.39Å; A355-R359 PolarHBondContact O-N 2.8Å
356	W	93.3	Very high	89.6	Confident	74 Å²	74	65.1 Å²	65.1	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-44.8	176.6	-172.3	-107.5	0	0	0	112.6	C352 N353 I354 R358 R359 R360 F458	C352-W356 WeakPolarHBondContact O-CB 3.19Å; C352-W356 PolarHBondContact O-N 3.24Å; N353-W356 PolarHBondContact O-N 2.66Å; I354-W356 VanDerWaalsContact C-N 3.31Å; I354-W356 PolarHBondContact O-N 2.85Å; W356-R358 VanDerWaalsContact C-N 3.32Å; W356-R358 PolarHBondContact O-N 3.1Å; W356-R359 CarbonylContact O-C 2.97Å; W356-R359 WeakPolarHBondContact O-CA 3.49Å; W356-R359 VanDerWaalsContact O-CB 3.25Å; W356-R359 WeakPolarHBondContact O-CB 3.28Å; W356-R359 PolarHBondContact O-N 3.46Å; W356-R359 VanDerWaalsContact O-N 3.11Å; W356-R360 VanDerWaalsContact CD1-CZ 3.48Å; W356-R360 VanDerWaalsContact NE1-CZ 3.3Å; W356-R360 VanDerWaalsContact NE1-NH2 3.16Å; W356-R360 PolarHBondContact O-N 2.83Å; W356-F458 AromaticContact CD2-CD1 3.81Å; W356-F458 HydrophobicContact CD2-CD1 3.81Å; W356-F458 AromaticContact CD2-CE1 3.79Å; W356-F458 HydrophobicContact CD2-CE1 3.79Å; W356-F458 AromaticContact CE2-CD1 3.55Å; W356-F458 AromaticContact CE2-CE1 3.86Å; W356-F458 HydrophobicContact CE3-CD1 4.32Å; W356-F458 AromaticContact CE3-CE1 3.82Å; W356-F458 HydrophobicContact CE3-CE1 3.82Å; W356-F458 HydrophobicContact CG-CD1 4.17Å; W356-F458 HydrophobicContact CG-CE1 4.41Å; W356-F458 HydrophobicContact CH2-CD1 4.34Å; W356-F458 AromaticContact CH2-CE1 3.99Å; W356-F458 HydrophobicContact CH2-CE1 3.99Å; W356-F458 AromaticContact CZ2-CD1 3.85Å; W356-F458 HydrophobicContact CZ2-CD1 3.85Å; W356-F458 AromaticContact CZ2-CE1 3.97Å; W356-F458 HydrophobicContact CZ2-CE1 3.97Å; W356-F458 AromaticContact CZ3-CE1 3.92Å; W356-F458 HydrophobicContact CZ3-CE1 3.92Å; W356-F458 AromaticContact NE1-CD1 3.73Å
357	C	91.1	Very high	89	Confident	8 Å²	8	72 Å²	72	5%	0.054	34%	0.339	C	S	.	.	H	α-helix	trans	-65.6	-34.4	177	-69.9	0	0	0	0	112.1	N353 I354 R360 K361 L578	N353-C357 WeakPolarHBondContact O-CB 3.39Å; N353-C357 PolarHBondContact O-N 2.98Å; N353-C357 PolarHBondContact O-SG 3.12Å; N353-C357 VanDerWaalsContact O-SG 3.34Å; I354-C357 PolarHBondContact O-N 3.5Å; C357-R360 WeakPolarHBondContact O-CB 3.31Å; C357-R360 PolarHBondContact O-N 3.06Å; C357-K361 PolarHBondContact O-N 3.43Å; C357-K361 VanDerWaalsContact O-N 3.15Å; C357-L578 HydrophobicContact CB-CD2 3.44Å; C357-L578 VanDerWaalsContact CB-CD2 3.44Å
358	R	90.2	Very high	88.7	Confident	156 Å²	156	78.8 Å²	78.8	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	-64.7	-40.6	170.5	-170.8	-178.7	-66.7	176.4	-1.2	111.5	I354 A355 W356 R360 K361 T362 L578	I354-R358 VanDerWaalsContact O-CB 3.3Å; I354-R358 WeakPolarHBondContact O-CB 3.35Å; I354-R358 PolarHBondContact O-N 3.19Å; A355-R358 PolarHBondContact O-N 3.39Å; W356-R358 VanDerWaalsContact C-N 3.32Å; W356-R358 PolarHBondContact O-N 3.1Å; R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 3.32Å; R358-K361 PolarHBondContact O-N 3.44Å; R358-T362 WeakPolarHBondContact O-CG2 3.08Å; R358-T362 PolarHBondContact O-N 3.17Å; R358-T362 PolarHBondContact O-OG1 3.2Å; R358-L578 HydrophobicContact CB-CD1 4.13Å
359	R	89.8	Confident	88.3	Confident	149 Å²	149	74.6 Å²	74.6	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-42	172.5	-169.2	82.9	154.7	125.3	2.3	111.2	A355 W356 K361 T362 T363	A355-R359 PolarHBondContact O-N 2.8Å; W356-R359 CarbonylContact O-C 2.97Å; W356-R359 WeakPolarHBondContact O-CA 3.49Å; W356-R359 VanDerWaalsContact O-CB 3.25Å; W356-R359 WeakPolarHBondContact O-CB 3.28Å; W356-R359 PolarHBondContact O-N 3.46Å; W356-R359 VanDerWaalsContact O-N 3.11Å; R359-K361 VanDerWaalsContact C-N 3.33Å; R359-K361 PolarHBondContact O-N 3.45Å; R359-T362 PolarHBondContact O-N 2.73Å; R359-T362 PolarHBondContact O-OG1 3.28Å; R359-T363 HydrophobicContact CG-CG2 3.88Å; R359-T363 VanDerWaalsContact NH1-CG2 3.27Å; R359-T363 VanDerWaalsContact O-CB 3.29Å; R359-T363 WeakPolarHBondContact O-CB 3.18Å; R359-T363 VanDerWaalsContact O-CG2 3.28Å; R359-T363 WeakPolarHBondContact O-CG2 3.47Å; R359-T363 PolarHBondContact O-N 3.47Å; R359-T363 PolarHBondContact O-OG1 3.26Å
360	R	87.8	Confident	88.2	Confident	14 Å²	14	75.9 Å²	75.9	5%	0.053	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-42.2	175.6	-72.9	174.7	164.2	152	3.1	112.7	W356 C357 R358 G366 E372 F458 F460 G461	W356-R360 VanDerWaalsContact CD1-CZ 3.48Å; W356-R360 VanDerWaalsContact NE1-CZ 3.3Å; W356-R360 VanDerWaalsContact NE1-NH2 3.16Å; W356-R360 PolarHBondContact O-N 2.83Å; C357-R360 WeakPolarHBondContact O-CB 3.31Å; C357-R360 PolarHBondContact O-N 3.06Å; R358-R360 VanDerWaalsContact C-N 3.34Å; R358-R360 PolarHBondContact O-N 3.32Å; R360-G366 WeakPolarHBondContact O-CA 3.35Å; R360-G366 PolarHBondContact O-N 3.41Å; R360-E372 IonicContact CZ-OE1 3.72Å; R360-E372 IonicContact NE-OE1 3.82Å; R360-E372 PolarHBondContact NE-OE1 2.95Å; R360-E372 IonicContact NE-OE2 2.72Å; R360-E372 IonicContact NH2-OE1 3.87Å; R360-E372 PolarHBondContact NH2-OE1 2.89Å; R360-F458 PolarHBondContact NH1-O 3.03Å; R360-F458 PolarHBondContact NH2-O 3Å; R360-F460 PolarHBondContact NH1-O 3.45Å; R360-F460 VanDerWaalsContact NH1-O 3.08Å; R360-G461 PolarHBondContact NH1-O 3.38Å
361	K	83	Confident	88.1	Confident	114 Å²	114	80.1 Å²	80.1	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-71.7	-37.4	-180	-69.6	-171.9	-179.8	-168.7	0	113.2	C357 R358 R359 L578 N579	C357-K361 PolarHBondContact O-N 3.43Å; C357-K361 VanDerWaalsContact O-N 3.15Å; R358-K361 PolarHBondContact O-N 3.44Å; R359-K361 VanDerWaalsContact C-N 3.33Å; R359-K361 PolarHBondContact O-N 3.45Å; K361-L578 HydrophobicContact CD-CG 4.47Å; K361-L578 PolarHBondContact NZ-O 3.22Å; K361-N579 PolarHBondContact NZ-OD1 2.87Å
362	T	83.8	Confident	88	Confident	107 Å²	107	73.9 Å²	73.9	66%	0.656	35%	0.35	S	S	*	.	H	α-helix	trans	-87.8	-26.9	-174.4	51.2	0	0	0	0	114	R358 R359	R358-T362 WeakPolarHBondContact O-CG2 3.08Å; R358-T362 PolarHBondContact O-N 3.17Å; R358-T362 PolarHBondContact O-OG1 3.2Å; R359-T362 PolarHBondContact O-N 2.73Å; R359-T362 PolarHBondContact O-OG1 3.28Å
363	T	86.2	Confident	87.9	Confident	35 Å²	35	71.6 Å²	71.6	22%	0.215	33%	0.334	C	S	.	.	S	Bend	trans	-100.7	173.7	-174.9	67.6	0	0	0	0	113.3	R359 L365 G366	R359-T363 HydrophobicContact CG-CG2 3.88Å; R359-T363 VanDerWaalsContact NH1-CG2 3.27Å; R359-T363 VanDerWaalsContact O-CB 3.29Å; R359-T363 WeakPolarHBondContact O-CB 3.18Å; R359-T363 VanDerWaalsContact O-CG2 3.28Å; R359-T363 WeakPolarHBondContact O-CG2 3.47Å; R359-T363 PolarHBondContact O-N 3.47Å; R359-T363 PolarHBondContact O-OG1 3.26Å; T363-L365 PolarHBondContact O-N 3.2Å; T363-L365 VanDerWaalsContact O-N 3.14Å; T363-G366 PolarHBondContact O-N 2.65Å
364	R	79.6	Confident	88	Confident	207 Å²	207	73.9 Å²	73.9	78%	0.781	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.2	176.7	-64.9	-174.5	-178.4	-176.4	1.2	113.9	G366 K367	R364-G366 VanDerWaalsContact C-N 3.25Å; R364-G366 PolarHBondContact O-N 3Å; R364-K367 WeakPolarHBondContact O-CB 3.31Å; R364-K367 PolarHBondContact O-N 3.27Å; R364-K367 VanDerWaalsContact O-N 3.12Å
365	L	75.6	Confident	88	Confident	76 Å²	76	76.4 Å²	76.4	40%	0.398	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-57	-38.5	177.8	-72.9	163.8	0	0	0	111.8	T363 K367 Y368	T363-L365 PolarHBondContact O-N 3.2Å; T363-L365 VanDerWaalsContact O-N 3.14Å; L365-K367 PolarHBondContact O-N 3.14Å; L365-K367 VanDerWaalsContact O-N 3.09Å; L365-Y368 PolarHBondContact O-N 3.4Å
366	G	71.1	Confident	88.1	Confident	23 Å²	23	74.4 Å²	74.4	24%	0.237	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-63.3	-17.7	179.1	0	0	0	0	0	115.4	R360 T363 R364 K463	R360-G366 WeakPolarHBondContact O-CA 3.35Å; R360-G366 PolarHBondContact O-N 3.41Å; T363-G366 PolarHBondContact O-N 2.65Å; R364-G366 VanDerWaalsContact C-N 3.25Å; R364-G366 PolarHBondContact O-N 3Å; G366-K463 PolarHBondContact O-NZ 3.43Å; G366-K463 VanDerWaalsContact O-NZ 3.16Å
367	K	82.9	Confident	88.3	Confident	146 Å²	146	71 Å²	71	64%	0.635	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-77.3	-26.5	178.5	-64.4	-172.2	177.3	-172.8	0	113.1	R364 L365 P369	R364-K367 WeakPolarHBondContact O-CB 3.31Å; R364-K367 PolarHBondContact O-N 3.27Å; R364-K367 VanDerWaalsContact O-N 3.12Å; L365-K367 PolarHBondContact O-N 3.14Å; L365-K367 VanDerWaalsContact O-N 3.09Å; K367-P369 VanDerWaalsContact O-CD 3.23Å; K367-P369 WeakPolarHBondContact O-CD 3.42Å
368	Y	89.3	Confident	88.5	Confident	153 Å²	153	71.8 Å²	71.8	60%	0.6	34%	0.337	S	S	*	.			trans	-120.8	62.8	-174.9	-59.3	-78.9	0	0	0	112.4	L365 V370 L371 E372	L365-Y368 PolarHBondContact O-N 3.4Å; Y368-V370 VanDerWaalsContact C-N 3.31Å; Y368-V370 PolarHBondContact O-N 2.84Å; Y368-L371 PolarHBondContact O-N 3.49Å; Y368-E372 PolarHBondContact O-N 2.88Å; Y368-E372 VanDerWaalsContact O-N 3.13Å
369	P	87.9	Confident	88.8	Confident	4 Å²	4	67.5 Å²	67.5	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-66.9	-29.8	-175.5	28.1	-36.2	0	0	0	113.8	K367 V373 K463	K367-P369 VanDerWaalsContact O-CD 3.23Å; K367-P369 WeakPolarHBondContact O-CD 3.42Å; P369-V373 WeakPolarHBondContact O-CG2 3.2Å; P369-V373 PolarHBondContact O-N 3.28Å; P369-V373 VanDerWaalsContact O-N 3.15Å; P369-K463 HydrophobicContact CB-CB 4.01Å; P369-K463 HydrophobicContact CB-CD 3.56Å; P369-K463 HydrophobicContact CB-CG 3.92Å; P369-K463 HydrophobicContact CG-CD 3.97Å
370	V	92.6	Very high	89	Confident	27 Å²	27	60.7 Å²	60.7	16%	0.164	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-47	177.8	175.5	0	0	0	0	110.3	F165 V168 Y368 E372 V373 I374	F165-V370 HydrophobicContact CD2-CG1 4.23Å; F165-V370 HydrophobicContact CE2-CG1 4.26Å; V168-V370 HydrophobicContact CG1-CB 4.2Å; V168-V370 HydrophobicContact CG1-CG1 3.85Å; V168-V370 HydrophobicContact CG1-CG2 4.1Å; V168-V370 HydrophobicContact CG2-CG2 4.04Å; Y368-V370 VanDerWaalsContact C-N 3.31Å; Y368-V370 PolarHBondContact O-N 2.84Å; V370-E372 VanDerWaalsContact C-N 3.33Å; V370-E372 PolarHBondContact O-N 3.07Å; V370-V373 PolarHBondContact O-N 3.41Å; V370-I374 HydrophobicContact CG1-CD1 3.85Å; V370-I374 WeakPolarHBondContact O-CD1 3.4Å; V370-I374 VanDerWaalsContact O-CG1 3.24Å; V370-I374 WeakPolarHBondContact O-CG1 3.19Å; V370-I374 PolarHBondContact O-N 3Å; V370-I374 VanDerWaalsContact O-N 3.13Å
371	L	93.1	Very high	89.3	Confident	104 Å²	104	60.2 Å²	60.2	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-42.1	177.8	-176.5	68.5	0	0	0	111.2	Y368 V373 I374 V375	Y368-L371 PolarHBondContact O-N 3.49Å; L371-V373 PolarHBondContact O-N 3.32Å; L371-I374 PolarHBondContact O-N 3.23Å; L371-V375 HydrophobicContact CD1-CG2 4.29Å; L371-V375 HydrophobicContact CG-CG2 4.29Å; L371-V375 WeakPolarHBondContact O-CB 3.36Å; L371-V375 VanDerWaalsContact O-CG2 3.25Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 3.49Å
372	E	92.9	Very high	89.9	Confident	22 Å²	22	58.5 Å²	58.5	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-49.5	177.5	174.9	174.1	-152.3	0	0	112.3	R360 Y368 V370 I374 V375 I376	R360-E372 IonicContact CZ-OE1 3.72Å; R360-E372 IonicContact NE-OE1 3.82Å; R360-E372 PolarHBondContact NE-OE1 2.95Å; R360-E372 IonicContact NE-OE2 2.72Å; R360-E372 IonicContact NH2-OE1 3.87Å; R360-E372 PolarHBondContact NH2-OE1 2.89Å; Y368-E372 PolarHBondContact O-N 2.88Å; Y368-E372 VanDerWaalsContact O-N 3.13Å; V370-E372 VanDerWaalsContact C-N 3.33Å; V370-E372 PolarHBondContact O-N 3.07Å; E372-I374 PolarHBondContact O-N 2.88Å; E372-V375 PolarHBondContact O-N 3.05Å; E372-I376 HydrophobicContact CG-CD1 3.78Å; E372-I376 WeakPolarHBondContact O-CG1 3.33Å; E372-I376 PolarHBondContact O-N 2.94Å
373	V	94.5	Very high	90.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-46.5	179.5	172	0	0	0	0	110.4	A164 V168 P369 V370 L371 V375 I376 T377 M462 I464	A164-V373 HydrophobicContact CB-CG1 4.17Å; V168-V373 HydrophobicContact CB-CB 4.41Å; V168-V373 HydrophobicContact CB-CG1 4.34Å; V168-V373 HydrophobicContact CB-CG2 4.42Å; V168-V373 HydrophobicContact CG2-CB 4.39Å; V168-V373 HydrophobicContact CG2-CG2 4.03Å; P369-V373 WeakPolarHBondContact O-CG2 3.2Å; P369-V373 PolarHBondContact O-N 3.28Å; P369-V373 VanDerWaalsContact O-N 3.15Å; V370-V373 PolarHBondContact O-N 3.41Å; L371-V373 PolarHBondContact O-N 3.32Å; V373-V375 PolarHBondContact O-N 3.08Å; V373-I376 PolarHBondContact O-N 3.45Å; V373-T377 WeakPolarHBondContact O-CB 3.34Å; V373-T377 PolarHBondContact O-N 2.86Å; V373-T377 PolarHBondContact O-OG1 2.7Å; V373-M462 HydrophobicContact CG2-CB 4.23Å; V373-M462 HydrophobicContact CG2-SD 4.07Å; V373-I464 HydrophobicContact CG1-CD1 4.26Å; V373-I464 HydrophobicContact CG1-CG2 4.27Å; V373-I464 HydrophobicContact CG2-CG2 3.99Å
374	I	95.8	Very high	90.5	Very high	48 Å²	48	56 Å²	56	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-60.4	-44.8	178.9	-64.9	166.5	0	0	0	111.3	L161 F165 V370 L371 E372 T377 A378	L161-I374 HydrophobicContact CD2-CG2 4.06Å; L161-I374 WeakPolarHBondContact CD2-O 3.46Å; F165-I374 HydrophobicContact CD2-CD1 3.86Å; V370-I374 HydrophobicContact CG1-CD1 3.85Å; V370-I374 WeakPolarHBondContact O-CD1 3.4Å; V370-I374 VanDerWaalsContact O-CG1 3.24Å; V370-I374 WeakPolarHBondContact O-CG1 3.19Å; V370-I374 PolarHBondContact O-N 3Å; V370-I374 VanDerWaalsContact O-N 3.13Å; L371-I374 PolarHBondContact O-N 3.23Å; E372-I374 PolarHBondContact O-N 2.88Å; I374-T377 PolarHBondContact O-N 2.86Å; I374-A378 WeakPolarHBondContact O-CB 3.29Å; I374-A378 PolarHBondContact O-N 3.4Å
375	V	95.2	Very high	91.1	Very high	76 Å²	76	46.9 Å²	46.9	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-45	-179.9	169.6	0	0	0	0	110.9	L371 E372 V373 A378 V379	L371-V375 HydrophobicContact CD1-CG2 4.29Å; L371-V375 HydrophobicContact CG-CG2 4.29Å; L371-V375 WeakPolarHBondContact O-CB 3.36Å; L371-V375 VanDerWaalsContact O-CG2 3.25Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 3.49Å; E372-V375 PolarHBondContact O-N 3.05Å; V373-V375 PolarHBondContact O-N 3.08Å; V375-A378 PolarHBondContact O-N 3.43Å; V375-V379 WeakPolarHBondContact O-CG2 3.29Å; V375-V379 PolarHBondContact O-N 2.82Å
376	I	95.1	Very high	91.8	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.097	25%	0.25	C	S	.	.	H	α-helix	trans	-65.5	-40.8	178.4	-68.3	170.7	0	0	0	110.4	L219 E372 V373 V379 T380 I455 F458 T459 M462	L219-I376 HydrophobicContact CD2-CG2 4.1Å; E372-I376 HydrophobicContact CG-CD1 3.78Å; E372-I376 WeakPolarHBondContact O-CG1 3.33Å; E372-I376 PolarHBondContact O-N 2.94Å; V373-I376 PolarHBondContact O-N 3.45Å; I376-V379 PolarHBondContact O-N 3.28Å; I376-T380 WeakPolarHBondContact O-CB 3.46Å; I376-T380 PolarHBondContact O-N 3.45Å; I376-T380 PolarHBondContact O-OG1 3.35Å; I376-I455 HydrophobicContact CG2-CD1 4.34Å; I376-F458 HydrophobicContact CD1-CB 4.49Å; I376-T459 HydrophobicContact CG2-CG2 3.86Å; I376-M462 HydrophobicContact CB-SD 4.03Å; I376-M462 HydrophobicContact CD1-CG 4.23Å; I376-M462 HydrophobicContact CD1-SD 3.47Å; I376-M462 WeakPolarHBondContact CD1-SD 3.38Å; I376-M462 HydrophobicContact CG1-SD 4.32Å; I376-M462 HydrophobicContact CG2-CE 4.26Å; I376-M462 HydrophobicContact CG2-SD 4.02Å
377	T	96.1	Very high	92.8	Very high	1 Å²	1	47 Å²	47	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-43.1	174	-59.5	0	0	0	0	111.7	A160 L161 A164 L219 V373 I374 T380 A381	A160-T377 HydrophobicContact CB-CG2 4.12Å; L161-T377 HydrophobicContact CD2-CG2 4.05Å; A164-T377 HydrophobicContact CB-CG2 3.78Å; A164-T377 VanDerWaalsContact CB-OG1 3.28Å; A164-T377 WeakPolarHBondContact CB-OG1 3.19Å; L219-T377 WeakPolarHBondContact CD2-OG1 3.43Å; V373-T377 WeakPolarHBondContact O-CB 3.34Å; V373-T377 PolarHBondContact O-N 2.86Å; V373-T377 PolarHBondContact O-OG1 2.7Å; I374-T377 PolarHBondContact O-N 2.86Å; T377-T380 PolarHBondContact O-N 2.87Å; T377-A381 WeakPolarHBondContact O-CB 3.03Å; T377-A381 PolarHBondContact O-N 3.44Å
378	A	96.2	Very high	92.9	Very high	25 Å²	25	41.8 Å²	41.8	21%	0.207	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-50.7	177.4	0	0	0	0	0	111.2	L161 I374 V375 T380 A381 I382	L161-A378 HydrophobicContact CD2-CB 3.87Å; I374-A378 WeakPolarHBondContact O-CB 3.29Å; I374-A378 PolarHBondContact O-N 3.4Å; V375-A378 PolarHBondContact O-N 3.43Å; A378-T380 VanDerWaalsContact C-N 3.3Å; A378-T380 PolarHBondContact O-N 2.87Å; A378-A381 PolarHBondContact O-N 2.94Å; A378-I382 WeakPolarHBondContact O-CB 3.33Å; A378-I382 WeakPolarHBondContact O-CD1 3.29Å; A378-I382 WeakPolarHBondContact O-CG1 3.44Å; A378-I382 PolarHBondContact O-N 3.31Å
379	V	95.4	Very high	92.9	Very high	67 Å²	67	34.7 Å²	34.7	41%	0.406	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-42.4	177.6	172.6	0	0	0	0	110.8	V375 I376 I383	V375-V379 WeakPolarHBondContact O-CG2 3.29Å; V375-V379 PolarHBondContact O-N 2.82Å; I376-V379 PolarHBondContact O-N 3.28Å; V379-I383 HydrophobicContact CG1-CD1 3.72Å; V379-I383 WeakPolarHBondContact O-CG1 3.48Å; V379-I383 PolarHBondContact O-N 2.83Å; V379-I383 VanDerWaalsContact O-N 3.14Å
380	T	94.8	Very high	92.9	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-50.2	178.5	-53.9	0	0	0	0	110.9	I376 T377 A378 I382 I383 A384 F451 I455	I376-T380 WeakPolarHBondContact O-CB 3.46Å; I376-T380 PolarHBondContact O-N 3.45Å; I376-T380 PolarHBondContact O-OG1 3.35Å; T377-T380 PolarHBondContact O-N 2.87Å; A378-T380 VanDerWaalsContact C-N 3.3Å; A378-T380 PolarHBondContact O-N 2.87Å; T380-I382 PolarHBondContact O-N 3.45Å; T380-I383 PolarHBondContact O-N 3.24Å; T380-A384 WeakPolarHBondContact O-CB 3.42Å; T380-A384 PolarHBondContact O-N 3.27Å; T380-F451 HydrophobicContact CG2-CZ 4.1Å; T380-I455 HydrophobicContact CG2-CG1 4.23Å; T380-I455 WeakPolarHBondContact OG1-CD1 3.4Å; T380-I455 WeakPolarHBondContact OG1-CG1 3.44Å
381	A	94.3	Very high	92.7	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-38.8	-176.8	0	0	0	0	0	112.8	Y156 I157 A160 T377 A378 Y385	Y156-A381 HydrophobicContact CD1-CB 4.3Å; Y156-A381 HydrophobicContact CE1-CB 4.1Å; I157-A381 HydrophobicContact CG1-CB 4.03Å; A160-A381 HydrophobicContact CB-CB 4.12Å; T377-A381 WeakPolarHBondContact O-CB 3.03Å; T377-A381 PolarHBondContact O-N 3.44Å; A378-A381 PolarHBondContact O-N 2.94Å; A381-Y385 PolarHBondContact O-N 3.37Å
382	I	94.6	Very high	92.2	Very high	79 Å²	79	36.8 Å²	36.8	41%	0.405	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-45.1	177.2	-72.1	167.1	0	0	0	110.9	Y153 I157 A378 T380 P386	Y153-I382 VanDerWaalsContact OH-CA 3.29Å; Y153-I382 WeakPolarHBondContact OH-CA 3.21Å; Y153-I382 WeakPolarHBondContact OH-CG2 3.42Å; Y153-I382 PolarHBondContact OH-O 3.33Å; I157-I382 HydrophobicContact CD1-CG1 3.76Å; I157-I382 HydrophobicContact CG1-CG1 4.41Å; A378-I382 WeakPolarHBondContact O-CB 3.33Å; A378-I382 WeakPolarHBondContact O-CD1 3.29Å; A378-I382 WeakPolarHBondContact O-CG1 3.44Å; A378-I382 PolarHBondContact O-N 3.31Å; T380-I382 PolarHBondContact O-N 3.45Å; I382-P386 WeakPolarHBondContact O-CD 3.33Å
383	I	92.8	Very high	91.8	Very high	85 Å²	85	36.6 Å²	36.6	44%	0.436	20%	0.197	S	C	.	.	H	α-helix	trans	-81.6	-29	-176.5	-60.2	171.1	0	0	0	111.6	V379 T380 P386 F451	V379-I383 HydrophobicContact CG1-CD1 3.72Å; V379-I383 WeakPolarHBondContact O-CG1 3.48Å; V379-I383 PolarHBondContact O-N 2.83Å; V379-I383 VanDerWaalsContact O-N 3.14Å; T380-I383 PolarHBondContact O-N 3.24Å; I383-P386 WeakPolarHBondContact O-CD 3.37Å; I383-F451 HydrophobicContact CB-CD2 4.2Å; I383-F451 HydrophobicContact CB-CE2 3.58Å; I383-F451 HydrophobicContact CB-CZ 4.05Å; I383-F451 HydrophobicContact CD1-CE2 4.15Å; I383-F451 HydrophobicContact CG1-CE2 4.47Å; I383-F451 HydrophobicContact CG2-CD2 3.44Å; I383-F451 VanDerWaalsContact CG2-CD2 3.44Å; I383-F451 HydrophobicContact CG2-CE2 3.37Å; I383-F451 HydrophobicContact CG2-CG 4.21Å; I383-F451 HydrophobicContact CG2-CZ 4.07Å
384	A	91.4	Very high	91.5	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-77.5	-31.7	-176.3	0	0	0	0	0	113.9	T380 T390 R391 F451	T380-A384 WeakPolarHBondContact O-CB 3.42Å; T380-A384 PolarHBondContact O-N 3.27Å; A384-T390 WeakPolarHBondContact CA-OG1 3.44Å; A384-T390 PolarHBondContact O-OG1 3.06Å; A384-R391 PolarHBondContact O-N 3.5Å; A384-F451 HydrophobicContact CB-CE1 4.18Å; A384-F451 HydrophobicContact CB-CZ 4.4Å
385	Y	90.8	Very high	91	Very high	17 Å²	17	36.2 Å²	36.2	7%	0.067	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-40.3	-174.1	-171	-93.1	0	0	0	115.1	Y149 N152 Y153 Y156 A381 N387 R391	Y149-Y385 HydrophobicContact CD2-CE1 4.23Å; Y149-Y385 HydrophobicContact CE1-CE1 4.15Å; Y149-Y385 HydrophobicContact CE2-CD1 4.37Å; Y149-Y385 AromaticContact CE2-CE1 3.63Å; Y149-Y385 HydrophobicContact CE2-CE1 3.63Å; Y149-Y385 AromaticContact CZ-CD1 3.96Å; Y149-Y385 AromaticContact CZ-CE1 3.58Å; N152-Y385 WeakPolarHBondContact CB-OH 3.31Å; Y153-Y385 HydrophobicContact CD1-CD1 4.34Å; Y153-Y385 AromaticContact CD2-CD1 3.34Å; Y153-Y385 HydrophobicContact CD2-CD1 3.34Å; Y153-Y385 HydrophobicContact CD2-CD2 4.01Å; Y153-Y385 HydrophobicContact CD2-CE1 4.03Å; Y153-Y385 AromaticContact CD2-CG 3.34Å; Y153-Y385 HydrophobicContact CD2-CG 3.34Å; Y153-Y385 VanDerWaalsContact CE2-CB 3.47Å; Y153-Y385 AromaticContact CE2-CD1 3.99Å; Y153-Y385 HydrophobicContact CE2-CD1 3.99Å; Y153-Y385 AromaticContact CE2-CG 3.85Å; Y153-Y385 HydrophobicContact CE2-CG 3.85Å; Y153-Y385 AromaticContact CG-CD1 3.56Å; Y153-Y385 HydrophobicContact CG-CD1 3.56Å; Y153-Y385 AromaticContact CG-CE1 3.88Å; Y153-Y385 HydrophobicContact CG-CE1 3.88Å; Y153-Y385 HydrophobicContact CG-CG 4.05Å; Y156-Y385 AromaticContact CD1-CD2 3.82Å; Y156-Y385 HydrophobicContact CD1-CD2 3.82Å; Y156-Y385 AromaticContact CD2-CD2 3.95Å; Y156-Y385 HydrophobicContact CD2-CD2 3.95Å; Y156-Y385 HydrophobicContact CD2-CE2 4.22Å; Y156-Y385 HydrophobicContact CE1-CD2 4.41Å; Y156-Y385 AromaticContact CG-CD2 3.57Å; Y156-Y385 HydrophobicContact CG-CD2 3.57Å; Y156-Y385 HydrophobicContact CG-CE2 4.02Å; A381-Y385 PolarHBondContact O-N 3.37Å; Y385-N387 VanDerWaalsContact C-N 3.3Å; Y385-N387 PolarHBondContact O-N 2.91Å; Y385-R391 HydrophobicContact CD2-CG 4.34Å
386	P	91.6	Very high	90.5	Very high	80 Å²	80	35.9 Å²	35.9	52%	0.519	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.7	-178.7	-24.6	35.8	0	0	0	114.8	I382 I383	I382-P386 WeakPolarHBondContact O-CD 3.33Å; I383-P386 WeakPolarHBondContact O-CD 3.37Å
387	N	90.6	Very high	90.2	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.107	19%	0.187	C	C	.	.	S	Bend	trans	-102.8	121.3	-178.8	174.1	-4.2	0	0	0	110	Y385 Y389 T390 R391 Q444	Y385-N387 VanDerWaalsContact C-N 3.3Å; Y385-N387 PolarHBondContact O-N 2.91Å; N387-Y389 VanDerWaalsContact C-N 3.31Å; N387-Y389 PolarHBondContact O-N 2.89Å; N387-Y389 PolarHBondContact OD1-N 3.3Å; N387-Y389 VanDerWaalsContact OD1-N 3.13Å; N387-T390 HydrophobicContact CB-CG2 4.47Å; N387-T390 VanDerWaalsContact CB-OG1 3.28Å; N387-T390 WeakPolarHBondContact CB-OG1 3.22Å; N387-T390 PolarHBondContact O-N 3.48Å; N387-T390 VanDerWaalsContact O-N 3.17Å; N387-T390 PolarHBondContact O-OG1 2.99Å; N387-R391 PolarHBondContact O-N 3.47Å; N387-Q444 PolarHBondContact ND2-O 3.31Å
388	P	86.5	Confident	89.9	Confident	37 Å²	37	35 Å²	35	24%	0.24	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-37.7	-174.9	24.3	-34.2	0	0	0	113	T390 R391 R392 Q444	P388-T390 VanDerWaalsContact C-N 3.34Å; P388-T390 PolarHBondContact O-N 3.25Å; P388-R391 PolarHBondContact O-N 3.45Å; P388-R392 PolarHBondContact O-N 3.02Å; P388-Q444 VanDerWaalsContact CG-OE1 3.22Å
389	Y	88.6	Confident	89.4	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-30.3	180	-59.3	-67.6	0	0	0	113	N387 L397 L413 A441 Q444 L445	N387-Y389 VanDerWaalsContact C-N 3.31Å; N387-Y389 PolarHBondContact O-N 2.89Å; N387-Y389 PolarHBondContact OD1-N 3.3Å; N387-Y389 VanDerWaalsContact OD1-N 3.13Å; Y389-L397 HydrophobicContact CD1-CD1 3.84Å; Y389-L397 HydrophobicContact CG-CD1 4.37Å; Y389-L413 HydrophobicContact CE1-CD1 3.37Å; Y389-L413 VanDerWaalsContact CZ-CD1 3.49Å; Y389-L413 WeakPolarHBondContact OH-CD1 3.41Å; Y389-A441 HydrophobicContact CE2-CB 4.47Å; Y389-A441 VanDerWaalsContact OH-CB 3.26Å; Y389-A441 WeakPolarHBondContact OH-CB 3.41Å; Y389-Q444 HydrophobicContact CD2-CB 3.7Å; Y389-Q444 HydrophobicContact CE2-CB 3.64Å; Y389-Q444 VanDerWaalsContact CE2-OE1 3.3Å; Y389-L445 HydrophobicContact CD1-CD2 3.91Å; Y389-L445 HydrophobicContact CD2-CD2 4.06Å; Y389-L445 HydrophobicContact CD2-CG 4.14Å; Y389-L445 HydrophobicContact CE1-CD2 4.29Å; Y389-L445 HydrophobicContact CE2-CD2 4.42Å; Y389-L445 HydrophobicContact CE2-CG 4.14Å; Y389-L445 HydrophobicContact CG-CD2 3.8Å; Y389-L445 HydrophobicContact CG-CG 4.37Å
390	T	87.8	Confident	88.9	Confident	8 Å²	8	33.9 Å²	33.9	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-83.3	-22.9	176.2	52	0	0	0	0	113	A384 N387 P388 A448 F451	A384-T390 WeakPolarHBondContact CA-OG1 3.44Å; A384-T390 PolarHBondContact O-OG1 3.06Å; N387-T390 HydrophobicContact CB-CG2 4.47Å; N387-T390 VanDerWaalsContact CB-OG1 3.28Å; N387-T390 WeakPolarHBondContact CB-OG1 3.22Å; N387-T390 PolarHBondContact O-N 3.48Å; N387-T390 VanDerWaalsContact O-N 3.17Å; N387-T390 PolarHBondContact O-OG1 2.99Å; P388-T390 VanDerWaalsContact C-N 3.34Å; P388-T390 PolarHBondContact O-N 3.25Å; T390-A448 HydrophobicContact CG2-CB 3.56Å; T390-F451 HydrophobicContact CG2-CD1 3.69Å; T390-F451 HydrophobicContact CG2-CE1 4.31Å
391	R	87.8	Confident	88.6	Confident	75 Å²	75	33.8 Å²	33.8	28%	0.283	18%	0.176	S	C	.	.	H	α-helix	trans	-74.4	-38.7	179.8	-168.3	177.9	76.7	-151	-3.3	112.6	E100 Y156 A384 Y385 N387 P388	E100-R391 IonicContact OE1-CZ 2.82Å; E100-R391 IonicContact OE1-NE 3.3Å; E100-R391 PolarHBondContact OE1-NE 3.44Å; E100-R391 IonicContact OE1-NH2 3.04Å; Y156-R391 HydrophobicContact CE2-CG 3.89Å; Y156-R391 PolarHBondContact OH-O 2.9Å; A384-R391 PolarHBondContact O-N 3.5Å; Y385-R391 HydrophobicContact CD2-CG 4.34Å; N387-R391 PolarHBondContact O-N 3.47Å; P388-R391 PolarHBondContact O-N 3.45Å
392	R	84.1	Confident	88.3	Confident	97 Å²	97	33.7 Å²	33.7	37%	0.366	18%	0.175	S	C	.	.	S	Bend	trans	-61.3	157.9	178.3	-74.8	-178.4	174.9	161.5	-3.7	112.7	P388 E400	P388-R392 PolarHBondContact O-N 3.02Å; R392-E400 IonicContact CZ-OE1 2.88Å; R392-E400 IonicContact CZ-OE2 2.74Å; R392-E400 IonicContact NH1-OE1 3.93Å; R392-E400 PolarHBondContact NH1-OE1 2.98Å; R392-E400 IonicContact NH1-OE2 3.77Å; R392-E400 PolarHBondContact NH1-OE2 2.82Å
393	S	84.6	Confident	87.7	Confident	18 Å²	18	32.2 Å²	32.2	13%	0.126	17%	0.168	C	C	.	.			trans	-62.4	147.2	172.9	86.6	0	0	0	0	109.6	S395 E396 L397	S393-S395 PolarHBondContact O-N 2.96Å; S393-S395 PolarHBondContact OG-OG 3.05Å; S393-E396 VanDerWaalsContact CB-OE1 3.29Å; S393-E396 WeakPolarHBondContact CB-OE1 3.47Å; S393-E396 PolarHBondContact O-N 2.61Å; S393-E396 WeakPolarHBondContact OG-CB 3.48Å; S393-E396 VanDerWaalsContact OG-CG 3.26Å; S393-E396 WeakPolarHBondContact OG-CG 3.39Å; S393-E396 PolarHBondContact OG-N 3.18Å; S393-E396 PolarHBondContact OG-OE1 3.02Å; S393-E396 PolarHBondContact OG-OE2 3.35Å; S393-L397 WeakPolarHBondContact O-CB 3.3Å; S393-L397 PolarHBondContact O-N 2.98Å
394	T	87.9	Confident	86.9	Confident	17 Å²	17	30.7 Å²	30.7	10%	0.104	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-25.3	-174.4	-54.5	0	0	0	0	111.6	I398 K452 I470 A474	T394-I398 VanDerWaalsContact O-CG1 3.29Å; T394-I398 WeakPolarHBondContact O-CG1 3.21Å; T394-I398 PolarHBondContact O-N 2.82Å; T394-K452 PolarHBondContact OG1-NZ 3.41Å; T394-I470 HydrophobicContact CG2-CG2 3.59Å; T394-A474 HydrophobicContact CG2-CB 3.4Å; T394-A474 VanDerWaalsContact CG2-CB 3.4Å
395	S	85.4	Confident	86	Confident	24 Å²	24	31.8 Å²	31.8	17%	0.168	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-50.8	170.8	34.9	0	0	0	0	111.7	F319 S393 L397 I398 S399	F319-S395 VanDerWaalsContact CE1-O 3.28Å; F319-S395 WeakPolarHBondContact CE1-O 3.41Å; S393-S395 PolarHBondContact O-N 2.96Å; S393-S395 PolarHBondContact OG-OG 3.05Å; S395-L397 VanDerWaalsContact C-N 3.27Å; S395-L397 PolarHBondContact O-N 2.93Å; S395-I398 PolarHBondContact O-N 2.94Å; S395-I398 VanDerWaalsContact O-N 3.11Å; S395-S399 PolarHBondContact O-N 3.48Å
396	E	83.7	Confident	84.7	Confident	69 Å²	69	32.8 Å²	32.8	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-56.6	-43.2	176.1	-77.5	151.2	-128.6	0	0	111.6	S393 I398 S399 E400	S393-E396 VanDerWaalsContact CB-OE1 3.29Å; S393-E396 WeakPolarHBondContact CB-OE1 3.47Å; S393-E396 PolarHBondContact O-N 2.61Å; S393-E396 WeakPolarHBondContact OG-CB 3.48Å; S393-E396 VanDerWaalsContact OG-CG 3.26Å; S393-E396 WeakPolarHBondContact OG-CG 3.39Å; S393-E396 PolarHBondContact OG-N 3.18Å; S393-E396 PolarHBondContact OG-OE1 3.02Å; S393-E396 PolarHBondContact OG-OE2 3.35Å; E396-I398 VanDerWaalsContact C-N 3.33Å; E396-I398 PolarHBondContact O-N 2.9Å; E396-S399 WeakPolarHBondContact O-CB 3.26Å; E396-S399 PolarHBondContact O-N 3.44Å; E396-S399 VanDerWaalsContact O-N 3.16Å; E396-E400 PolarHBondContact O-N 3.03Å
397	L	88.6	Confident	82.7	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-43.2	177.3	179.3	65.7	0	0	0	112	Y389 S393 S395 S399 L401 M478	Y389-L397 HydrophobicContact CD1-CD1 3.84Å; Y389-L397 HydrophobicContact CG-CD1 4.37Å; S393-L397 WeakPolarHBondContact O-CB 3.3Å; S393-L397 PolarHBondContact O-N 2.98Å; S395-L397 VanDerWaalsContact C-N 3.27Å; S395-L397 PolarHBondContact O-N 2.93Å; L397-S399 VanDerWaalsContact C-N 3.35Å; L397-L401 HydrophobicContact CD1-CD1 4.17Å; L397-L401 HydrophobicContact CD1-CG 4.38Å; L397-L401 HydrophobicContact CG-CD1 3.89Å; L397-L401 WeakPolarHBondContact O-CB 3.39Å; L397-L401 WeakPolarHBondContact O-CD1 3.38Å; L397-L401 WeakPolarHBondContact O-CG 3.48Å; L397-L401 PolarHBondContact O-N 3.48Å; L397-M478 HydrophobicContact CD2-SD 4.18Å
398	I	90.3	Very high	80.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-41.9	177.6	-69.3	166.5	0	0	0	110.6	F319 T394 S395 E396 L401 F402 I470 M473 A474	F319-I398 HydrophobicContact CD1-CG2 4.11Å; F319-I398 HydrophobicContact CD2-CG2 4.39Å; F319-I398 HydrophobicContact CE1-CB 3.89Å; F319-I398 HydrophobicContact CE1-CG2 3.79Å; F319-I398 HydrophobicContact CE2-CG2 4.07Å; F319-I398 HydrophobicContact CG-CG2 4.4Å; F319-I398 HydrophobicContact CZ-CB 3.93Å; F319-I398 HydrophobicContact CZ-CD1 4.46Å; F319-I398 HydrophobicContact CZ-CG2 3.76Å; T394-I398 VanDerWaalsContact O-CG1 3.29Å; T394-I398 WeakPolarHBondContact O-CG1 3.21Å; T394-I398 PolarHBondContact O-N 2.82Å; S395-I398 PolarHBondContact O-N 2.94Å; S395-I398 VanDerWaalsContact O-N 3.11Å; E396-I398 VanDerWaalsContact C-N 3.33Å; E396-I398 PolarHBondContact O-N 2.9Å; I398-L401 PolarHBondContact O-N 2.91Å; I398-F402 HydrophobicContact CG2-CD1 4.27Å; I398-F402 HydrophobicContact CG2-CD2 4.03Å; I398-F402 HydrophobicContact CG2-CE1 3.85Å; I398-F402 HydrophobicContact CG2-CE2 3.58Å; I398-F402 HydrophobicContact CG2-CG 4.35Å; I398-F402 HydrophobicContact CG2-CZ 3.49Å; I398-F402 VanDerWaalsContact CG2-CZ 3.49Å; I398-F402 WeakPolarHBondContact O-CG 3.41Å; I398-F402 PolarHBondContact O-N 3.34Å; I398-I470 HydrophobicContact CD1-CD1 4.39Å; I398-I470 HydrophobicContact CD1-CG2 4.04Å; I398-M473 HydrophobicContact CD1-CB 3.96Å; I398-M473 HydrophobicContact CD1-CE 4.5Å; I398-A474 HydrophobicContact CD1-CB 4.08Å; I398-A474 HydrophobicContact CG1-CB 4.01Å
399	S	85.9	Confident	79.5	Confident	37 Å²	37	39.4 Å²	39.4	26%	0.259	22%	0.218	S	C	.	.	H	α-helix	trans	-57.9	-49.7	178.1	-165.4	0	0	0	0	111.3	S395 E396 L397 L401 F402 N403	S395-S399 PolarHBondContact O-N 3.48Å; E396-S399 WeakPolarHBondContact O-CB 3.26Å; E396-S399 PolarHBondContact O-N 3.44Å; E396-S399 VanDerWaalsContact O-N 3.16Å; L397-S399 VanDerWaalsContact C-N 3.35Å; S399-L401 VanDerWaalsContact C-N 3.31Å; S399-L401 PolarHBondContact O-N 3.34Å; S399-F402 PolarHBondContact O-N 3.33Å; S399-N403 PolarHBondContact O-N 3.21Å
400	E	84.9	Confident	78.1	Confident	31 Å²	31	43.8 Å²	43.8	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-33.6	177.7	-173.2	179.8	-160.9	0	0	112.8	R392 E396 F402	R392-E400 IonicContact CZ-OE1 2.88Å; R392-E400 IonicContact CZ-OE2 2.74Å; R392-E400 IonicContact NH1-OE1 3.93Å; R392-E400 PolarHBondContact NH1-OE1 2.98Å; R392-E400 IonicContact NH1-OE2 3.77Å; R392-E400 PolarHBondContact NH1-OE2 2.82Å; E396-E400 PolarHBondContact O-N 3.03Å; E400-F402 VanDerWaalsContact C-N 3.34Å
401	L	88.4	Confident	77.2	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-71.4	-29.3	176.7	-71.6	166.2	0	0	0	112.8	L397 I398 S399 L413 L445 A477 M478 R481 A517	L397-L401 HydrophobicContact CD1-CD1 4.17Å; L397-L401 HydrophobicContact CD1-CG 4.38Å; L397-L401 HydrophobicContact CG-CD1 3.89Å; L397-L401 WeakPolarHBondContact O-CB 3.39Å; L397-L401 WeakPolarHBondContact O-CD1 3.38Å; L397-L401 WeakPolarHBondContact O-CG 3.48Å; L397-L401 PolarHBondContact O-N 3.48Å; I398-L401 PolarHBondContact O-N 2.91Å; S399-L401 VanDerWaalsContact C-N 3.31Å; S399-L401 PolarHBondContact O-N 3.34Å; L401-L413 HydrophobicContact CD2-CD2 4.1Å; L401-L445 HydrophobicContact CD2-CD1 4.48Å; L401-L445 HydrophobicContact CD2-CD2 4.13Å; L401-A477 HydrophobicContact CB-CB 4.3Å; L401-A477 HydrophobicContact CD1-CB 3.74Å; L401-M478 HydrophobicContact CD1-CG 3.74Å; L401-R481 HydrophobicContact CD2-CB 3.71Å; L401-R481 HydrophobicContact CD2-CG 3.78Å; L401-R481 PolarHBondContact O-NH1 2.85Å; L401-A517 HydrophobicContact CB-CB 4.33Å; L401-A517 WeakPolarHBondContact O-CB 3.34Å
402	F	88	Confident	76.6	Confident	3 Å²	3	45 Å²	45	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-83	-30.8	177.9	-68.5	-1	0	0	0	111.8	F319 V321 Y323 I398 S399 E400 A477 G514 A517 M518 A521	F319-F402 HydrophobicContact CB-CD2 3.92Å; F319-F402 HydrophobicContact CB-CE2 4.24Å; F319-F402 HydrophobicContact CD2-CE2 4.45Å; F319-F402 HydrophobicContact CG-CD2 4.28Å; F319-F402 HydrophobicContact CG-CE2 4.32Å; V321-F402 HydrophobicContact CG2-CB 3.79Å; Y323-F402 PolarHBondContact OH-O 3.13Å; I398-F402 HydrophobicContact CG2-CD1 4.27Å; I398-F402 HydrophobicContact CG2-CD2 4.03Å; I398-F402 HydrophobicContact CG2-CE1 3.85Å; I398-F402 HydrophobicContact CG2-CE2 3.58Å; I398-F402 HydrophobicContact CG2-CG 4.35Å; I398-F402 HydrophobicContact CG2-CZ 3.49Å; I398-F402 VanDerWaalsContact CG2-CZ 3.49Å; I398-F402 WeakPolarHBondContact O-CG 3.41Å; I398-F402 PolarHBondContact O-N 3.34Å; S399-F402 PolarHBondContact O-N 3.33Å; E400-F402 VanDerWaalsContact C-N 3.34Å; F402-A477 HydrophobicContact CE1-CB 3.91Å; F402-G514 WeakPolarHBondContact O-CA 3.25Å; F402-A517 HydrophobicContact CD1-CB 3.84Å; F402-A517 HydrophobicContact CE1-CB 4.16Å; F402-M518 HydrophobicContact CB-CG 4.36Å; F402-M518 HydrophobicContact CD1-CG 3.72Å; F402-M518 HydrophobicContact CD2-CG 3.88Å; F402-M518 HydrophobicContact CD2-SD 4.46Å; F402-M518 HydrophobicContact CE1-CB 4.32Å; F402-M518 HydrophobicContact CE1-CG 3.87Å; F402-M518 HydrophobicContact CE2-CG 4.04Å; F402-M518 HydrophobicContact CG-CG 3.74Å; F402-M518 HydrophobicContact CZ-CB 4.44Å; F402-M518 HydrophobicContact CZ-CG 4.03Å; F402-A521 HydrophobicContact CE1-CB 4.08Å; F402-A521 HydrophobicContact CZ-CB 3.87Å
403	N	81.9	Confident	76.4	Confident	48 Å²	48	40.5 Å²	40.5	26%	0.257	24%	0.242	S	C	.	.	S	Bend	trans	-63.3	141.5	178.6	-73	-15.7	0	0	0	112.3	V321 S399 R481	V321-N403 WeakPolarHBondContact CG2-OD1 3.46Å; S399-N403 PolarHBondContact O-N 3.21Å; N403-R481 PolarHBondContact O-NH1 2.92Å; N403-R481 PolarHBondContact O-NH2 3.29Å
404	D	75.6	Confident	75.9	Confident	53 Å²	53	40.5 Å²	40.5	28%	0.283	24%	0.242	S	C	.	.			trans	-85.6	154.5	168.1	-73.2	-24	0	0	0	110.6	Y323 G406	Y323-D404 WeakPolarHBondContact CD1-OD2 3.23Å; Y323-D404 WeakPolarHBondContact CE1-OD2 3.49Å; D404-G406 PolarHBondContact O-N 3.19Å; D404-G406 VanDerWaalsContact O-N 3.13Å
405	C	72.8	Confident	75.6	Confident	25 Å²	25	43.1 Å²	43.1	17%	0.169	26%	0.256	C	S	.	.			trans	-77.9	99.6	-174.1	-71.2	0	0	0	0	112	C414	C405-C414 WeakPolarHBondContact CA-SG 3.41Å; C405-C414 HydrophobicContact CB-CB 3.51Å; C405-C414 WeakPolarHBondContact CB-SG 3.39Å; C405-C414 WeakPolarHBondContact SG-CA 3.18Å; C405-C414 WeakPolarHBondContact SG-CB 3.47Å; C405-C414 CovalentContact SG-SG 2.03Å; C405-C414 PolarHBondContact SG-SG 2.77Å
406	G	63.2	Low	75.3	Confident	39 Å²	39	42.5 Å²	42.5	40%	0.402	25%	0.25	S	C	.	.			trans	-75.7	167.4	173	0	0	0	0	0	113.8	D404 L408 E409	D404-G406 PolarHBondContact O-N 3.19Å; D404-G406 VanDerWaalsContact O-N 3.13Å; G406-L408 PolarHBondContact O-N 2.72Å; G406-E409 PolarHBondContact O-N 3.43Å
407	A	50.5	Low	74.8	Confident	61 Å²	61	43.5 Å²	43.5	50%	0.504	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.8	-179.6	0	0	0	0	0	114.7	V426 I429	A407-V426 HydrophobicContact CB-CG1 3.59Å; A407-I429 HydrophobicContact CB-CD1 3.73Å
408	L	50.7	Low	73.8	Confident	137 Å²	137	48.4 Å²	48.4	72%	0.717	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-0.1	-177.4	-83.6	93.6	0	0	0	113.7	F123 G406 V426	F123-L408 HydrophobicContact CE1-CD2 4.32Å; G406-L408 PolarHBondContact O-N 2.72Å; L408-V426 HydrophobicContact CD1-CG1 4.32Å
409	E	59.3	Low	72.5	Confident	78 Å²	78	53.5 Å²	53.5	36%	0.364	31%	0.31	S	S	.	.			trans	-94.1	114.6	-171	-153.5	164.4	-164.9	0	0	111	G406 S411	G406-E409 PolarHBondContact O-N 3.43Å; E409-S411 PolarHBondContact O-N 3.44Å
410	S	58.8	Low	71.1	Confident	96 Å²	96	57.8 Å²	57.8	67%	0.671	34%	0.336	S	S	*	.			trans	-85.3	21.1	-174.7	58.3	0	0	0	0	114	D127	D127-S410 PolarHBondContact OD2-OG 3.11Å
411	S	69.9	Low	69.6	Low	19 Å²	19	63.6 Å²	63.6	13%	0.133	37%	0.369	C	S	.	.			trans	-73.1	147.1	-177.3	87.9	0	0	0	0	111.6	E409 L413 C414 D415	E409-S411 PolarHBondContact O-N 3.44Å; S411-L413 PolarHBondContact O-N 2.89Å; S411-L413 VanDerWaalsContact O-N 3.16Å; S411-L413 PolarHBondContact OG-N 3.37Å; S411-C414 PolarHBondContact O-N 3.24Å; S411-C414 PolarHBondContact OG-N 3.45Å; S411-C414 PolarHBondContact OG-SG 3.05Å; S411-D415 PolarHBondContact O-N 3.28Å
412	Q	73.9	Confident	68	Low	89 Å²	89	68.1 Å²	68.1	42%	0.416	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-63.4	-20.4	176.7	-67	-178.2	-7.1	0	0	112.8	C414 G437 V438 A441	Q412-C414 PolarHBondContact O-N 3.05Å; Q412-G437 CarbonylContact O-C 3.6Å; Q412-V438 PolarHBondContact O-N 2.92Å; Q412-A441 HydrophobicContact CB-CB 4.16Å
413	L	79.2	Confident	66.1	Low	2 Å²	2	74.9 Å²	74.9	1%	0.01	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-74.1	-16.4	174	-85.1	79.7	0	0	0	112.1	Y389 L401 S411 Y416 A441 L445 R481	Y389-L413 HydrophobicContact CE1-CD1 3.37Å; Y389-L413 VanDerWaalsContact CZ-CD1 3.49Å; Y389-L413 WeakPolarHBondContact OH-CD1 3.41Å; L401-L413 HydrophobicContact CD2-CD2 4.1Å; S411-L413 PolarHBondContact O-N 2.89Å; S411-L413 VanDerWaalsContact O-N 3.16Å; S411-L413 PolarHBondContact OG-N 3.37Å; L413-Y416 WeakPolarHBondContact O-CE2 3.41Å; L413-A441 HydrophobicContact CD1-CB 4.2Å; L413-A441 HydrophobicContact CG-CB 4.47Å; L413-L445 HydrophobicContact CD1-CD1 4.37Å; L413-L445 HydrophobicContact CD2-CD1 4.19Å; L413-L445 HydrophobicContact CG-CD1 4.33Å; L413-R481 HydrophobicContact CD2-CG 3.99Å
414	C	75.9	Confident	64.7	Low	19 Å²	19	80.1 Å²	80.1	13%	0.128	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-112	10.7	-175	-59.3	0	0	0	0	113.2	C405 S411 Q412 Y416	C405-C414 WeakPolarHBondContact CA-SG 3.41Å; C405-C414 HydrophobicContact CB-CB 3.51Å; C405-C414 WeakPolarHBondContact CB-SG 3.39Å; C405-C414 WeakPolarHBondContact SG-CA 3.18Å; C405-C414 WeakPolarHBondContact SG-CB 3.47Å; C405-C414 CovalentContact SG-SG 2.03Å; C405-C414 PolarHBondContact SG-SG 2.77Å; S411-C414 PolarHBondContact O-N 3.24Å; S411-C414 PolarHBondContact OG-N 3.45Å; S411-C414 PolarHBondContact OG-SG 3.05Å; Q412-C414 PolarHBondContact O-N 3.05Å; C414-Y416 PolarHBondContact O-N 3.26Å
415	D	80.3	Confident	63.5	Low	72 Å²	72	82.3 Å²	82.3	39%	0.385	47%	0.466	S	S	.	.			trans	-77.5	68.3	175.1	-173.4	35.5	0	0	0	111.6	S411 G435 G437 V438	S411-D415 PolarHBondContact O-N 3.28Å; D415-G435 WeakPolarHBondContact O-CA 3.41Å; D415-G435 PolarHBondContact O-N 3.19Å; D415-G437 WeakPolarHBondContact OD2-CA 3.28Å; D415-G437 PolarHBondContact OD2-N 3.35Å; D415-V438 WeakPolarHBondContact O-CG2 3.49Å
416	Y	78.6	Confident	62.6	Low	11 Å²	11	85.3 Å²	85.3	4%	0.043	48%	0.483	C	S	.	.	B	Isolated β-bridge	trans	-89.9	148.5	173.6	-70	-95.1	0	0	0	110.8	L413 C414 N418 R432 V438 E488	L413-Y416 WeakPolarHBondContact O-CE2 3.41Å; C414-Y416 PolarHBondContact O-N 3.26Å; Y416-N418 PolarHBondContact O-N 3.05Å; Y416-N418 VanDerWaalsContact O-N 3.17Å; Y416-R432 HydrophobicContact CD1-CB 3.98Å; Y416-R432 WeakPolarHBondContact CD1-O 3.32Å; Y416-R432 HydrophobicContact CG-CB 4.2Å; Y416-V438 HydrophobicContact CD2-CG2 4.3Å; Y416-V438 HydrophobicContact CE2-CG2 4.19Å; Y416-E488 VanDerWaalsContact CE1-OE1 3.25Å; Y416-E488 WeakPolarHBondContact CE1-OE1 3.33Å; Y416-E488 PolarHBondContact OH-OE1 3.48Å; Y416-E488 PolarHBondContact OH-OE2 3.37Å
417	I	74.7	Confident	61.9	Low	89 Å²	89	90.2 Å²	90.2	46%	0.456	50%	0.501	S	S	.	.			trans	-71.6	115.6	179.6	-56.6	174.4	0	0	0	108.7	P433	I417-P433 HydrophobicContact CB-CG 4.22Å; I417-P433 PolarHBondContact N-O 3.19Å
418	N	68	Low	62	Low	105 Å²	105	92.3 Å²	92.3	56%	0.561	50%	0.503	S	S	*	.			trans	-87.1	124	178.1	-67.9	-23.9	0	0	0	111	Y416 P420 R432	Y416-N418 PolarHBondContact O-N 3.05Å; Y416-N418 VanDerWaalsContact O-N 3.17Å; N418-P420 WeakPolarHBondContact O-CD 3.28Å; N418-R432 WeakPolarHBondContact OD1-CD 3.35Å; N418-R432 PolarHBondContact OD1-NH1 3.15Å
419	D	61.2	Low	62.5	Low	108 Å²	108	88 Å²	88	58%	0.578	48%	0.48	S	S	*	.			trans	-77.1	117.9	165.7	-85.3	-29.3	0	0	0	109.5	N421 M422	D419-N421 PolarHBondContact O-N 2.9Å; D419-M422 PolarHBondContact O-N 3.11Å
420	P	56.4	Low	62.8	Low	126 Å²	126	84.6 Å²	84.6	82%	0.818	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-3.8	-176.2	25.6	-33.2	0	0	0	114.5	N418	N418-P420 WeakPolarHBondContact O-CD 3.28Å
421	N	54.5	Low	63.2	Low	154 Å²	154	81 Å²	81	82%	0.824	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	5	-179.8	-79.9	-14.6	0	0	0	114.2	D419 T423	D419-N421 PolarHBondContact O-N 2.9Å; N421-T423 PolarHBondContact O-N 3.4Å
422	M	54.3	Low	63.4	Low	96 Å²	96	81.7 Å²	81.7	47%	0.473	44%	0.438	S	S	.	.			trans	-88.3	96.1	-177.2	-158.4	93.4	72.5	0	0	111.6	D419 R424 P430	D419-M422 PolarHBondContact O-N 3.11Å; M422-R424 VanDerWaalsContact C-N 3.32Å; M422-R424 PolarHBondContact O-N 3.32Å; M422-P430 HydrophobicContact CE-CG 3.53Å; M422-P430 HydrophobicContact SD-CG 4.15Å
423	T	48.9	Very low	63.7	Low	146 Å²	146	78.9 Å²	78.9	90%	0.896	43%	0.428	S	S	*	.			trans	-87.9	54	175.6	51.3	0	0	0	0	112.5	N421	N421-T423 PolarHBondContact O-N 3.4Å
424	R	51.9	Low	63.8	Low	157 Å²	157	79.1 Å²	79.1	59%	0.592	43%	0.43	S	S	*	.			trans	-108.2	151.5	174.7	-78.9	-168.3	-178.6	170.9	4.8	111.3	M422 G507	M422-R424 VanDerWaalsContact C-N 3.32Å; M422-R424 PolarHBondContact O-N 3.32Å; R424-G507 PolarHBondContact NH1-O 3.42Å
425	P	50.6	Low	64.1	Low	100 Å²	100	78.3 Å²	78.3	65%	0.649	42%	0.424	S	S	*	.			trans	-59.5	153.2	179.9	24.4	-32.2	0	0	0	111.6	D427	P425-D427 PolarHBondContact O-N 3.17Å
426	V	53.1	Low	64.3	Low	87 Å²	87	79.5 Å²	79.5	53%	0.527	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.9	-165.6	-179.9	0	0	0	0	114.5	A407 L408	A407-V426 HydrophobicContact CB-CG1 3.59Å; L408-V426 HydrophobicContact CD1-CG1 4.32Å
427	D	48.7	Very low	64.5	Low	143 Å²	143	79.5 Å²	79.5	77%	0.765	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-11.3	-168.1	-57.7	-32.7	0	0	0	115	P425	P425-D427 PolarHBondContact O-N 3.17Å
428	D	53.2	Low	65	Low	105 Å²	105	75.3 Å²	75.3	56%	0.561	42%	0.418	S	S	*	.			trans	-126.2	84.1	176.5	-86.6	-23	0	0	0	109.1	P430	D428-P430 WeakPolarHBondContact O-CD 3.25Å
429	I	61.1	Low	65.9	Low	45 Å²	45	76.6 Å²	76.6	23%	0.231	42%	0.416	C	S	.	.			trans	-98.1	110.4	-176	-43.1	169.4	0	0	0	109.9	A407 R432 D509	A407-I429 HydrophobicContact CB-CD1 3.73Å; I429-R432 VanDerWaalsContact CG2-NH2 3.27Å; I429-D509 VanDerWaalsContact C-OD1 3.28Å
430	P	65.3	Low	67.2	Low	7 Å²	7	74.6 Å²	74.6	5%	0.045	41%	0.408	C	S	.	.			trans	-55.7	153.7	-176.5	24.2	-34.2	0	0	0	113.2	M422 D428 R432 D509	M422-P430 HydrophobicContact CE-CG 3.53Å; M422-P430 HydrophobicContact SD-CG 4.15Å; D428-P430 WeakPolarHBondContact O-CD 3.25Å; P430-R432 WeakPolarHBondContact O-CG 3.47Å; P430-R432 PolarHBondContact O-N 2.85Å; P430-D509 WeakPolarHBondContact CA-OD1 3.47Å
431	D	68.6	Low	68.7	Low	20 Å²	20	68.7 Å²	68.7	11%	0.107	37%	0.37	C	S	.	.			trans	-46.8	128.7	169.6	-67.3	-9.1	0	0	0	110.7	Y492 C510	D431-Y492 HydrophobicContact CB-CD2 4.25Å; D431-Y492 WeakPolarHBondContact O-CD2 3.32Å; D431-Y492 VanDerWaalsContact O-CE2 3.27Å; D431-Y492 WeakPolarHBondContact O-CE2 3.5Å; D431-C510 WeakPolarHBondContact OD2-CB 3.48Å; D431-C510 PolarHBondContact OD2-N 3.44Å; D431-C510 VanDerWaalsContact OD2-N 3.16Å
432	R	74.1	Confident	70.4	Confident	34 Å²	34	64.1 Å²	64.1	13%	0.128	34%	0.344	C	S	.	.			trans	-122.7	155.5	-174.2	-81.1	167.3	-69.4	177.1	2.4	110.9	Y416 N418 I429 P430 Q489	Y416-R432 HydrophobicContact CD1-CB 3.98Å; Y416-R432 WeakPolarHBondContact CD1-O 3.32Å; Y416-R432 HydrophobicContact CG-CB 4.2Å; N418-R432 WeakPolarHBondContact OD1-CD 3.35Å; N418-R432 PolarHBondContact OD1-NH1 3.15Å; I429-R432 VanDerWaalsContact CG2-NH2 3.27Å; P430-R432 WeakPolarHBondContact O-CG 3.47Å; P430-R432 PolarHBondContact O-N 2.85Å; R432-Q489 PolarHBondContact O-NE2 3.24Å
433	P	79.2	Confident	72.2	Confident	31 Å²	31	67.9 Å²	67.9	20%	0.201	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-68.9	138.1	172.2	25.3	-24.5	0	0	0	110	I417 G435 Y492	I417-P433 HydrophobicContact CB-CG 4.22Å; I417-P433 PolarHBondContact N-O 3.19Å; P433-G435 PolarHBondContact O-N 3.32Å; P433-Y492 HydrophobicContact CB-CD1 4.31Å; P433-Y492 HydrophobicContact CB-CE1 3.82Å; P433-Y492 HydrophobicContact CG-CE1 4.05Å
434	A	81.9	Confident	74.3	Confident	7 Å²	7	63.2 Å²	63.2	6%	0.058	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-58.7	128.4	178.4	0	0	0	0	0	111.4	V438 Y439 Q489	A434-V438 HydrophobicContact CB-CB 4Å; A434-V438 HydrophobicContact CB-CG1 3.84Å; A434-Y439 HydrophobicContact CB-CE2 3.95Å; A434-Y439 WeakPolarHBondContact O-CE2 3.01Å; A434-Q489 HydrophobicContact CB-CG 4.18Å
435	G	82.6	Confident	76.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.01	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-80.7	173.5	172	0	0	0	0	0	112.8	D415 P433 G437 V438 Y439	D415-G435 WeakPolarHBondContact O-CA 3.41Å; D415-G435 PolarHBondContact O-N 3.19Å; P433-G435 PolarHBondContact O-N 3.32Å; G435-G437 PolarHBondContact O-N 3.44Å; G435-V438 PolarHBondContact O-N 2.98Å; G435-Y439 WeakPolarHBondContact O-CD2 3.19Å; G435-Y439 PolarHBondContact O-N 2.7Å
436	P	83.1	Confident	78.3	Confident	97 Å²	97	52.6 Å²	52.6	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-58	-33.3	178.5	24.4	-32.7	0	0	0	112.5	Y439 T440	P436-Y439 PolarHBondContact O-N 3.46Å; P436-T440 WeakPolarHBondContact O-CG2 3.11Å; P436-T440 PolarHBondContact O-N 3.14Å; P436-T440 VanDerWaalsContact O-N 3.09Å
437	G	83.4	Confident	80.3	Confident	11 Å²	11	52.6 Å²	52.6	11%	0.113	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-46.1	175.4	0	0	0	0	0	112.8	Q412 D415 G435 Y439 T440 A441	Q412-G437 CarbonylContact O-C 3.6Å; D415-G437 WeakPolarHBondContact OD2-CA 3.28Å; D415-G437 PolarHBondContact OD2-N 3.35Å; G435-G437 PolarHBondContact O-N 3.44Å; G437-Y439 VanDerWaalsContact C-N 3.35Å; G437-Y439 PolarHBondContact O-N 3.25Å; G437-T440 WeakPolarHBondContact CA-OG1 3.44Å; G437-T440 PolarHBondContact O-N 3.31Å; G437-T440 VanDerWaalsContact O-N 3.12Å; G437-T440 PolarHBondContact O-OG1 2.91Å; G437-A441 WeakPolarHBondContact O-CB 3.5Å; G437-A441 PolarHBondContact O-N 2.87Å
438	V	85.6	Confident	82.4	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-42.9	177.6	174.3	0	0	0	0	111.4	Q412 D415 Y416 A434 G435 T440 A441 M442 I485	Q412-V438 PolarHBondContact O-N 2.92Å; D415-V438 WeakPolarHBondContact O-CG2 3.49Å; Y416-V438 HydrophobicContact CD2-CG2 4.3Å; Y416-V438 HydrophobicContact CE2-CG2 4.19Å; A434-V438 HydrophobicContact CB-CB 4Å; A434-V438 HydrophobicContact CB-CG1 3.84Å; G435-V438 PolarHBondContact O-N 2.98Å; V438-T440 VanDerWaalsContact C-N 3.35Å; V438-T440 PolarHBondContact O-N 3.32Å; V438-A441 WeakPolarHBondContact O-CB 3.11Å; V438-A441 PolarHBondContact O-N 3.05Å; V438-M442 HydrophobicContact CG1-CG 4.44Å; V438-M442 HydrophobicContact CG1-SD 4.47Å; V438-M442 WeakPolarHBondContact O-CG 3.45Å; V438-M442 PolarHBondContact O-N 3.24Å; V438-I485 HydrophobicContact CG1-CG2 4.02Å
439	Y	87	Confident	84.4	Confident	132 Å²	132	41.8 Å²	41.8	52%	0.518	21%	0.214	S	C	.	.	H	α-helix	trans	-62.5	-40.9	175.7	-70.4	-72.2	0	0	0	112.4	A434 G435 P436 G437 M442 W443	A434-Y439 HydrophobicContact CB-CE2 3.95Å; A434-Y439 WeakPolarHBondContact O-CE2 3.01Å; G435-Y439 WeakPolarHBondContact O-CD2 3.19Å; G435-Y439 PolarHBondContact O-N 2.7Å; P436-Y439 PolarHBondContact O-N 3.46Å; G437-Y439 VanDerWaalsContact C-N 3.35Å; G437-Y439 PolarHBondContact O-N 3.25Å; Y439-M442 PolarHBondContact O-N 3.17Å; Y439-W443 PolarHBondContact O-N 2.95Å
440	T	88.9	Confident	86.1	Confident	67 Å²	67	44 Å²	44	41%	0.411	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-39.5	175.5	62.1	0	0	0	0	111.9	P436 G437 V438 W443 Q444	P436-T440 WeakPolarHBondContact O-CG2 3.11Å; P436-T440 PolarHBondContact O-N 3.14Å; P436-T440 VanDerWaalsContact O-N 3.09Å; G437-T440 WeakPolarHBondContact CA-OG1 3.44Å; G437-T440 PolarHBondContact O-N 3.31Å; G437-T440 VanDerWaalsContact O-N 3.12Å; G437-T440 PolarHBondContact O-OG1 2.91Å; V438-T440 VanDerWaalsContact C-N 3.35Å; V438-T440 PolarHBondContact O-N 3.32Å; T440-W443 PolarHBondContact O-N 3.31Å; T440-Q444 VanDerWaalsContact O-CG 3.29Å; T440-Q444 WeakPolarHBondContact O-CG 3.29Å; T440-Q444 PolarHBondContact O-N 3.21Å
441	A	87.9	Confident	87.4	Confident	2 Å²	2	45 Å²	45	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-44.7	175.6	0	0	0	0	0	111.3	Y389 Q412 L413 G437 V438 W443 Q444 L445	Y389-A441 HydrophobicContact CE2-CB 4.47Å; Y389-A441 VanDerWaalsContact OH-CB 3.26Å; Y389-A441 WeakPolarHBondContact OH-CB 3.41Å; Q412-A441 HydrophobicContact CB-CB 4.16Å; L413-A441 HydrophobicContact CD1-CB 4.2Å; L413-A441 HydrophobicContact CG-CB 4.47Å; G437-A441 WeakPolarHBondContact O-CB 3.5Å; G437-A441 PolarHBondContact O-N 2.87Å; V438-A441 WeakPolarHBondContact O-CB 3.11Å; V438-A441 PolarHBondContact O-N 3.05Å; A441-W443 VanDerWaalsContact C-N 3.35Å; A441-W443 PolarHBondContact O-N 3.41Å; A441-Q444 PolarHBondContact O-N 3.47Å; A441-L445 VanDerWaalsContact O-CB 3.31Å; A441-L445 WeakPolarHBondContact O-CB 3.36Å; A441-L445 VanDerWaalsContact O-CG 3.28Å; A441-L445 WeakPolarHBondContact O-CG 3.36Å; A441-L445 PolarHBondContact O-N 3.15Å
442	M	90.3	Very high	88.7	Confident	57 Å²	57	44.4 Å²	44.4	28%	0.281	23%	0.229	S	C	.	.	H	α-helix	trans	-58.2	-44.4	176.7	-75.2	-176.3	73.2	0	0	112.2	V438 Y439 L445 A446 I485	V438-M442 HydrophobicContact CG1-CG 4.44Å; V438-M442 HydrophobicContact CG1-SD 4.47Å; V438-M442 WeakPolarHBondContact O-CG 3.45Å; V438-M442 PolarHBondContact O-N 3.24Å; Y439-M442 PolarHBondContact O-N 3.17Å; M442-L445 PolarHBondContact O-N 3.45Å; M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.2Å; M442-I485 HydrophobicContact SD-CG2 4Å
443	W	91.3	Very high	89.6	Confident	176 Å²	176	44.4 Å²	44.4	67%	0.667	23%	0.231	S	C	*	.	H	α-helix	trans	-65.9	-43.5	176.9	176.4	-109.1	0	0	0	112.2	Y439 T440 A441 A446 L447	Y439-W443 PolarHBondContact O-N 2.95Å; T440-W443 PolarHBondContact O-N 3.31Å; A441-W443 VanDerWaalsContact C-N 3.35Å; A441-W443 PolarHBondContact O-N 3.41Å; W443-A446 PolarHBondContact O-N 3.19Å; W443-L447 HydrophobicContact CZ2-CD1 4.24Å; W443-L447 HydrophobicContact CZ2-CD2 4.18Å; W443-L447 HydrophobicContact CZ2-CG 4.3Å; W443-L447 PolarHBondContact O-N 2.91Å
444	Q	92.3	Very high	90.4	Very high	48 Å²	48	46.4 Å²	46.4	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-37.4	177.2	-70.4	177.3	14.7	0	0	112.3	N387 P388 Y389 T440 A441 L447 A448	N387-Q444 PolarHBondContact ND2-O 3.31Å; P388-Q444 VanDerWaalsContact CG-OE1 3.22Å; Y389-Q444 HydrophobicContact CD2-CB 3.7Å; Y389-Q444 HydrophobicContact CE2-CB 3.64Å; Y389-Q444 VanDerWaalsContact CE2-OE1 3.3Å; T440-Q444 VanDerWaalsContact O-CG 3.29Å; T440-Q444 WeakPolarHBondContact O-CG 3.29Å; T440-Q444 PolarHBondContact O-N 3.21Å; A441-Q444 PolarHBondContact O-N 3.47Å; Q444-L447 PolarHBondContact O-N 3.27Å; Q444-A448 WeakPolarHBondContact O-CB 3.45Å; Q444-A448 PolarHBondContact O-N 2.85Å
445	L	93.1	Very high	91	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-39.8	173.2	-76.5	171.1	0	0	0	111.7	Y389 L401 L413 A441 M442 A448 L449 M478 M482	Y389-L445 HydrophobicContact CD1-CD2 3.91Å; Y389-L445 HydrophobicContact CD2-CD2 4.06Å; Y389-L445 HydrophobicContact CD2-CG 4.14Å; Y389-L445 HydrophobicContact CE1-CD2 4.29Å; Y389-L445 HydrophobicContact CE2-CD2 4.42Å; Y389-L445 HydrophobicContact CE2-CG 4.14Å; Y389-L445 HydrophobicContact CG-CD2 3.8Å; Y389-L445 HydrophobicContact CG-CG 4.37Å; L401-L445 HydrophobicContact CD2-CD1 4.48Å; L401-L445 HydrophobicContact CD2-CD2 4.13Å; L413-L445 HydrophobicContact CD1-CD1 4.37Å; L413-L445 HydrophobicContact CD2-CD1 4.19Å; L413-L445 HydrophobicContact CG-CD1 4.33Å; A441-L445 VanDerWaalsContact O-CB 3.31Å; A441-L445 WeakPolarHBondContact O-CB 3.36Å; A441-L445 VanDerWaalsContact O-CG 3.28Å; A441-L445 WeakPolarHBondContact O-CG 3.36Å; A441-L445 PolarHBondContact O-N 3.15Å; M442-L445 PolarHBondContact O-N 3.45Å; L445-A448 WeakPolarHBondContact O-CB 3.41Å; L445-A448 PolarHBondContact O-N 2.9Å; L445-L449 WeakPolarHBondContact O-CB 3.26Å; L445-L449 PolarHBondContact O-N 2.94Å; L445-M478 HydrophobicContact CD2-CG 4.28Å; L445-M482 HydrophobicContact CB-CG 4.39Å; L445-M482 HydrophobicContact CB-SD 4.27Å
446	A	94.5	Very high	91.5	Very high	33 Å²	33	46.7 Å²	46.7	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-43.1	175.3	0	0	0	0	0	111.7	M442 W443 L449 V450 M482	M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.2Å; W443-A446 PolarHBondContact O-N 3.19Å; A446-L449 PolarHBondContact O-N 3.22Å; A446-V450 WeakPolarHBondContact O-CG2 3.28Å; A446-V450 PolarHBondContact O-N 3.45Å; A446-V450 VanDerWaalsContact O-N 3.14Å; A446-M482 HydrophobicContact CB-SD 4.01Å
447	L	94.2	Very high	92.1	Very high	86 Å²	86	43 Å²	43	45%	0.45	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-41.1	173.1	-70.4	176.4	0	0	0	111.9	W443 Q444 L449 V450 F451	W443-L447 HydrophobicContact CZ2-CD1 4.24Å; W443-L447 HydrophobicContact CZ2-CD2 4.18Å; W443-L447 HydrophobicContact CZ2-CG 4.3Å; W443-L447 PolarHBondContact O-N 2.91Å; Q444-L447 PolarHBondContact O-N 3.27Å; L447-L449 VanDerWaalsContact C-N 3.35Å; L447-V450 PolarHBondContact O-N 3.13Å; L447-F451 WeakPolarHBondContact O-CB 3.46Å; L447-F451 PolarHBondContact O-N 3.16Å
448	A	93.9	Very high	92.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-41	175.9	0	0	0	0	0	112	T390 Q444 L445 F451 K452 M478	T390-A448 HydrophobicContact CG2-CB 3.56Å; Q444-A448 WeakPolarHBondContact O-CB 3.45Å; Q444-A448 PolarHBondContact O-N 2.85Å; L445-A448 WeakPolarHBondContact O-CB 3.41Å; L445-A448 PolarHBondContact O-N 2.9Å; A448-F451 PolarHBondContact O-N 3.06Å; A448-K452 WeakPolarHBondContact O-CB 3.49Å; A448-K452 VanDerWaalsContact O-CG 3.3Å; A448-K452 WeakPolarHBondContact O-CG 3.13Å; A448-K452 PolarHBondContact O-N 2.81Å; A448-M478 HydrophobicContact CB-SD 3.85Å
449	L	95.3	Very high	93	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-52.1	176.7	177.5	67.4	0	0	0	111	L445 A446 L447 F451 K452 I453 V475 M478 A479 M482	L445-L449 WeakPolarHBondContact O-CB 3.26Å; L445-L449 PolarHBondContact O-N 2.94Å; A446-L449 PolarHBondContact O-N 3.22Å; L447-L449 VanDerWaalsContact C-N 3.35Å; L449-F451 VanDerWaalsContact C-N 3.33Å; L449-F451 PolarHBondContact O-N 3.04Å; L449-K452 PolarHBondContact O-N 3.37Å; L449-I453 HydrophobicContact CD1-CD1 4.01Å; L449-I453 HydrophobicContact CD1-CG1 4.43Å; L449-I453 HydrophobicContact CG-CD1 3.94Å; L449-I453 WeakPolarHBondContact O-CB 3.24Å; L449-I453 WeakPolarHBondContact O-CG1 3.37Å; L449-I453 PolarHBondContact O-N 3.39Å; L449-V475 HydrophobicContact CD1-CB 4.36Å; L449-V475 HydrophobicContact CD1-CG1 3.76Å; L449-V475 VanDerWaalsContact CD1-O 3.29Å; L449-V475 WeakPolarHBondContact CD1-O 3.38Å; L449-M478 HydrophobicContact CB-CE 4.38Å; L449-M478 HydrophobicContact CD1-CB 4.23Å; L449-M478 HydrophobicContact CD1-CE 4.09Å; L449-A479 HydrophobicContact CD1-CB 4.46Å; L449-A479 HydrophobicContact CD2-CB 4.33Å; L449-M482 HydrophobicContact CB-CE 4.19Å; L449-M482 HydrophobicContact CD2-CE 3.46Å; L449-M482 VanDerWaalsContact CD2-CE 3.46Å; L449-M482 HydrophobicContact CG-CE 4.37Å
450	V	95.3	Very high	93.3	Very high	92 Å²	92	39.6 Å²	39.6	56%	0.558	20%	0.203	S	C	*	.	H	α-helix	trans	-60.7	-44.8	179.2	174.6	0	0	0	0	110.7	A446 L447 I453 V454	A446-V450 WeakPolarHBondContact O-CG2 3.28Å; A446-V450 PolarHBondContact O-N 3.45Å; A446-V450 VanDerWaalsContact O-N 3.14Å; L447-V450 PolarHBondContact O-N 3.13Å; V450-I453 PolarHBondContact O-N 2.82Å; V450-V454 WeakPolarHBondContact O-CG2 3.45Å; V450-V454 PolarHBondContact O-N 3.49Å; V450-V454 VanDerWaalsContact O-N 3.11Å
451	F	94.1	Very high	93.3	Very high	27 Å²	27	37.8 Å²	37.8	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-48.4	177.8	174.1	-110.4	0	0	0	112.3	T380 I383 A384 T390 L447 A448 L449 I453 V454 I455	T380-F451 HydrophobicContact CG2-CZ 4.1Å; I383-F451 HydrophobicContact CB-CD2 4.2Å; I383-F451 HydrophobicContact CB-CE2 3.58Å; I383-F451 HydrophobicContact CB-CZ 4.05Å; I383-F451 HydrophobicContact CD1-CE2 4.15Å; I383-F451 HydrophobicContact CG1-CE2 4.47Å; I383-F451 HydrophobicContact CG2-CD2 3.44Å; I383-F451 VanDerWaalsContact CG2-CD2 3.44Å; I383-F451 HydrophobicContact CG2-CE2 3.37Å; I383-F451 HydrophobicContact CG2-CG 4.21Å; I383-F451 HydrophobicContact CG2-CZ 4.07Å; A384-F451 HydrophobicContact CB-CE1 4.18Å; A384-F451 HydrophobicContact CB-CZ 4.4Å; T390-F451 HydrophobicContact CG2-CD1 3.69Å; T390-F451 HydrophobicContact CG2-CE1 4.31Å; L447-F451 WeakPolarHBondContact O-CB 3.46Å; L447-F451 PolarHBondContact O-N 3.16Å; A448-F451 PolarHBondContact O-N 3.06Å; L449-F451 VanDerWaalsContact C-N 3.33Å; L449-F451 PolarHBondContact O-N 3.04Å; F451-I453 PolarHBondContact O-N 3.05Å; F451-V454 PolarHBondContact O-N 3.47Å; F451-I455 HydrophobicContact CE1-CG2 4.3Å; F451-I455 HydrophobicContact CE2-CB 4.32Å; F451-I455 HydrophobicContact CZ-CB 4.35Å; F451-I455 HydrophobicContact CZ-CG1 4.35Å; F451-I455 HydrophobicContact CZ-CG2 4.38Å; F451-I455 WeakPolarHBondContact O-CB 3.31Å; F451-I455 WeakPolarHBondContact O-CG2 3.44Å; F451-I455 PolarHBondContact O-N 3.21Å
452	K	94.3	Very high	93.4	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-39.9	179.3	-73.8	-77.7	-175.1	173.9	0	111.6	S220 T394 A448 L449 V454 T456 V475 M478	S220-K452 WeakPolarHBondContact OG-CD 3.37Å; T394-K452 PolarHBondContact OG1-NZ 3.41Å; A448-K452 WeakPolarHBondContact O-CB 3.49Å; A448-K452 VanDerWaalsContact O-CG 3.3Å; A448-K452 WeakPolarHBondContact O-CG 3.13Å; A448-K452 PolarHBondContact O-N 2.81Å; L449-K452 PolarHBondContact O-N 3.37Å; K452-V454 PolarHBondContact O-N 3.42Å; K452-T456 VanDerWaalsContact O-CB 3.28Å; K452-T456 WeakPolarHBondContact O-CB 3.5Å; K452-T456 WeakPolarHBondContact O-CG2 3.01Å; K452-T456 PolarHBondContact O-N 2.95Å; K452-T456 PolarHBondContact O-OG1 3Å; K452-V475 HydrophobicContact CB-CG2 4.07Å; K452-M478 HydrophobicContact CB-CE 3.89Å; K452-M478 HydrophobicContact CG-CE 3.89Å
453	I	94.4	Very high	93.4	Very high	34 Å²	34	39.9 Å²	39.9	17%	0.174	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-49.3	173.2	-80.2	169.4	0	0	0	111	W345 L449 V450 F451 T456 I457 V475	W345-I453 HydrophobicContact CD2-CG1 4.43Å; W345-I453 HydrophobicContact CE3-CD1 4.46Å; W345-I453 HydrophobicContact CE3-CG1 4.05Å; W345-I453 HydrophobicContact CE3-CG2 4.17Å; W345-I453 HydrophobicContact CH2-CB 3.91Å; W345-I453 HydrophobicContact CH2-CG1 3.87Å; W345-I453 HydrophobicContact CH2-CG2 3.77Å; W345-I453 WeakPolarHBondContact CH2-O 3.39Å; W345-I453 HydrophobicContact CZ2-CG1 4.23Å; W345-I453 HydrophobicContact CZ3-CB 3.91Å; W345-I453 HydrophobicContact CZ3-CG1 3.8Å; W345-I453 HydrophobicContact CZ3-CG2 3.36Å; L449-I453 HydrophobicContact CD1-CD1 4.01Å; L449-I453 HydrophobicContact CD1-CG1 4.43Å; L449-I453 HydrophobicContact CG-CD1 3.94Å; L449-I453 WeakPolarHBondContact O-CB 3.24Å; L449-I453 WeakPolarHBondContact O-CG1 3.37Å; L449-I453 PolarHBondContact O-N 3.39Å; V450-I453 PolarHBondContact O-N 2.82Å; F451-I453 PolarHBondContact O-N 3.05Å; I453-T456 PolarHBondContact O-OG1 2.79Å; I453-T456 VanDerWaalsContact O-OG1 3.05Å; I453-I457 WeakPolarHBondContact O-CD1 3.49Å; I453-I457 WeakPolarHBondContact O-CG1 3.47Å; I453-V475 HydrophobicContact CD1-CG1 4.24Å; I453-V475 HydrophobicContact CG1-CG1 3.8Å; I453-V475 HydrophobicContact CG1-CG2 4.26Å
454	V	94.9	Very high	93.5	Very high	73 Å²	73	31.6 Å²	31.6	44%	0.442	17%	0.174	S	C	.	.	H	α-helix	trans	-71	-48.4	-176.8	176	0	0	0	0	111.2	V450 F451 K452 T456 I457 F458	V450-V454 WeakPolarHBondContact O-CG2 3.45Å; V450-V454 PolarHBondContact O-N 3.49Å; V450-V454 VanDerWaalsContact O-N 3.11Å; F451-V454 PolarHBondContact O-N 3.47Å; K452-V454 PolarHBondContact O-N 3.42Å; V454-T456 PolarHBondContact O-N 3.3Å; V454-I457 PolarHBondContact O-N 2.74Å; V454-F458 HydrophobicContact CG1-CD2 4.21Å; V454-F458 HydrophobicContact CG1-CE2 3.78Å; V454-F458 WeakPolarHBondContact O-CD2 3.44Å
455	I	94.4	Very high	93.6	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-69.4	-35.1	-172.3	-158.6	61.2	0	0	0	112	I376 T380 F451 I457 F458 T459	I376-I455 HydrophobicContact CG2-CD1 4.34Å; T380-I455 HydrophobicContact CG2-CG1 4.23Å; T380-I455 WeakPolarHBondContact OG1-CD1 3.4Å; T380-I455 WeakPolarHBondContact OG1-CG1 3.44Å; F451-I455 HydrophobicContact CE1-CG2 4.3Å; F451-I455 HydrophobicContact CE2-CB 4.32Å; F451-I455 HydrophobicContact CZ-CB 4.35Å; F451-I455 HydrophobicContact CZ-CG1 4.35Å; F451-I455 HydrophobicContact CZ-CG2 4.38Å; F451-I455 WeakPolarHBondContact O-CB 3.31Å; F451-I455 WeakPolarHBondContact O-CG2 3.44Å; F451-I455 PolarHBondContact O-N 3.21Å; I455-I457 VanDerWaalsContact C-N 3.28Å; I455-I457 PolarHBondContact O-N 3.16Å; I455-F458 PolarHBondContact O-N 3.32Å; I455-F458 VanDerWaalsContact O-N 3.11Å; I455-T459 HydrophobicContact CG1-CG2 4.03Å; I455-T459 WeakPolarHBondContact O-CG2 3.38Å; I455-T459 PolarHBondContact O-N 2.9Å; I455-T459 PolarHBondContact O-OG1 3.21Å
456	T	94.1	Very high	93.6	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-36.1	178.2	49.4	0	0	0	0	113	S220 K452 I453 V454 F458 T459 F460 P471	S220-T456 WeakPolarHBondContact OG-CG2 3.32Å; K452-T456 VanDerWaalsContact O-CB 3.28Å; K452-T456 WeakPolarHBondContact O-CB 3.5Å; K452-T456 WeakPolarHBondContact O-CG2 3.01Å; K452-T456 PolarHBondContact O-N 2.95Å; K452-T456 PolarHBondContact O-OG1 3Å; I453-T456 PolarHBondContact O-OG1 2.79Å; I453-T456 VanDerWaalsContact O-OG1 3.05Å; V454-T456 PolarHBondContact O-N 3.3Å; T456-F458 VanDerWaalsContact C-N 3.27Å; T456-F458 PolarHBondContact O-N 3.42Å; T456-T459 WeakPolarHBondContact CA-OG1 3.32Å; T456-T459 PolarHBondContact O-N 3.31Å; T456-T459 PolarHBondContact O-OG1 2.89Å; T456-F460 PolarHBondContact O-N 3.43Å; T456-P471 HydrophobicContact CG2-CB 3.64Å
457	I	94.9	Very high	93.5	Very high	21 Å²	21	27.8 Å²	27.8	11%	0.108	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-39.7	177	-66.3	167.3	0	0	0	110.5	W345 F349 C352 N353 I453 V454 I455	W345-I457 HydrophobicContact CH2-CD1 4.4Å; W345-I457 HydrophobicContact CH2-CG1 4.31Å; W345-I457 HydrophobicContact CZ3-CD1 4.41Å; F349-I457 HydrophobicContact CD2-CG1 3.7Å; F349-I457 HydrophobicContact CE2-CG1 4.12Å; C352-I457 HydrophobicContact CB-CD1 4.1Å; C352-I457 HydrophobicContact CB-CG2 3.83Å; N353-I457 PolarHBondContact ND2-O 3.32Å; I453-I457 WeakPolarHBondContact O-CD1 3.49Å; I453-I457 WeakPolarHBondContact O-CG1 3.47Å; V454-I457 PolarHBondContact O-N 2.74Å; I455-I457 VanDerWaalsContact C-N 3.28Å; I455-I457 PolarHBondContact O-N 3.16Å
458	F	93.9	Very high	93.5	Very high	65 Å²	65	23.8 Å²	23.8	29%	0.285	13%	0.13	S	C	.	.	H	α-helix	trans	-83.3	-34.5	-178.9	-64.3	-68.8	0	0	0	113	W356 R360 I376 V454 I455 T456	W356-F458 AromaticContact CD2-CD1 3.81Å; W356-F458 HydrophobicContact CD2-CD1 3.81Å; W356-F458 AromaticContact CD2-CE1 3.79Å; W356-F458 HydrophobicContact CD2-CE1 3.79Å; W356-F458 AromaticContact CE2-CD1 3.55Å; W356-F458 AromaticContact CE2-CE1 3.86Å; W356-F458 HydrophobicContact CE3-CD1 4.32Å; W356-F458 AromaticContact CE3-CE1 3.82Å; W356-F458 HydrophobicContact CE3-CE1 3.82Å; W356-F458 HydrophobicContact CG-CD1 4.17Å; W356-F458 HydrophobicContact CG-CE1 4.41Å; W356-F458 HydrophobicContact CH2-CD1 4.34Å; W356-F458 AromaticContact CH2-CE1 3.99Å; W356-F458 HydrophobicContact CH2-CE1 3.99Å; W356-F458 AromaticContact CZ2-CD1 3.85Å; W356-F458 HydrophobicContact CZ2-CD1 3.85Å; W356-F458 AromaticContact CZ2-CE1 3.97Å; W356-F458 HydrophobicContact CZ2-CE1 3.97Å; W356-F458 AromaticContact CZ3-CE1 3.92Å; W356-F458 HydrophobicContact CZ3-CE1 3.92Å; W356-F458 AromaticContact NE1-CD1 3.73Å; R360-F458 PolarHBondContact NH1-O 3.03Å; R360-F458 PolarHBondContact NH2-O 3Å; I376-F458 HydrophobicContact CD1-CB 4.49Å; V454-F458 HydrophobicContact CG1-CD2 4.21Å; V454-F458 HydrophobicContact CG1-CE2 3.78Å; V454-F458 WeakPolarHBondContact O-CD2 3.44Å; I455-F458 PolarHBondContact O-N 3.32Å; I455-F458 VanDerWaalsContact O-N 3.11Å; T456-F458 VanDerWaalsContact C-N 3.27Å; T456-F458 PolarHBondContact O-N 3.42Å
459	T	93.6	Very high	93.5	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-72.9	-37.1	-177.6	56.4	0	0	0	0	112.5	L219 S220 I376 I455 T456 G461 M462	L219-T459 HydrophobicContact CD2-CG2 4.03Å; S220-T459 PolarHBondContact O-OG1 3.4Å; S220-T459 VanDerWaalsContact O-OG1 3.05Å; I376-T459 HydrophobicContact CG2-CG2 3.86Å; I455-T459 HydrophobicContact CG1-CG2 4.03Å; I455-T459 WeakPolarHBondContact O-CG2 3.38Å; I455-T459 PolarHBondContact O-N 2.9Å; I455-T459 PolarHBondContact O-OG1 3.21Å; T456-T459 WeakPolarHBondContact CA-OG1 3.32Å; T456-T459 PolarHBondContact O-N 3.31Å; T456-T459 PolarHBondContact O-OG1 2.89Å; T459-G461 PolarHBondContact O-N 2.86Å; T459-M462 HydrophobicContact CG2-CE 4.12Å; T459-M462 WeakPolarHBondContact O-CE 3.27Å; T459-M462 WeakPolarHBondContact O-CG 3.22Å; T459-M462 PolarHBondContact O-N 3.15Å
460	F	93.1	Very high	93.3	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.026	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	132.1	178.7	-166.8	-112.5	0	0	0	111.1	F349 N353 R360 T456 L468 I571 H575	F349-F460 HydrophobicContact CZ-CB 4.12Å; F349-F460 HydrophobicContact CZ-CD1 4.23Å; F349-F460 HydrophobicContact CZ-CG 4.37Å; N353-F460 PolarHBondContact ND2-O 3.32Å; R360-F460 PolarHBondContact NH1-O 3.45Å; R360-F460 VanDerWaalsContact NH1-O 3.08Å; T456-F460 PolarHBondContact O-N 3.43Å; F460-L468 HydrophobicContact CD1-CD2 4.23Å; F460-L468 HydrophobicContact CD2-CB 4.05Å; F460-L468 HydrophobicContact CD2-CD1 4.34Å; F460-L468 HydrophobicContact CD2-CD2 4.45Å; F460-L468 HydrophobicContact CE1-CD2 4.07Å; F460-L468 HydrophobicContact CE2-CB 3.85Å; F460-L468 HydrophobicContact CE2-CD2 4.33Å; F460-L468 HydrophobicContact CG-CD1 4.34Å; F460-L468 HydrophobicContact CG-CD2 4.41Å; F460-L468 HydrophobicContact CZ-CB 4.34Å; F460-L468 HydrophobicContact CZ-CD2 4.14Å; F460-I571 HydrophobicContact CD1-CD1 4.28Å; F460-I571 HydrophobicContact CD1-CG1 4.26Å; F460-I571 HydrophobicContact CE1-CD1 3.95Å; F460-I571 HydrophobicContact CE1-CG1 3.58Å; F460-I571 HydrophobicContact CZ-CG1 4.32Å; F460-H575 AromaticContact CD1-CE1 3.8Å; F460-H575 AromaticContact CE1-CE1 3.31Å; F460-H575 WeakPolarHBondContact CE1-CE1 3.41Å; F460-H575 AromaticContact CE1-ND1 3.88Å; F460-H575 AromaticContact CE1-NE2 3.64Å
461	G	88.9	Confident	93.3	Very high	29 Å²	29	19 Å²	19	30%	0.299	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	8.6	-176.1	0	0	0	0	0	115.5	R360 T459	R360-G461 PolarHBondContact NH1-O 3.38Å; T459-G461 PolarHBondContact O-N 2.86Å
462	M	91.4	Very high	93.3	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.02	10%	0.096	C	C	.	.	S	Bend	trans	-69.6	159.6	166.3	-68.7	-168.2	-63.2	0	0	111.2	L219 L221 V373 I376 T459 I464	L219-M462 HydrophobicContact CD1-CE 3.91Å; L219-M462 HydrophobicContact CD2-CE 4.09Å; L221-M462 HydrophobicContact CD1-CE 4.39Å; V373-M462 HydrophobicContact CG2-CB 4.23Å; V373-M462 HydrophobicContact CG2-SD 4.07Å; I376-M462 HydrophobicContact CB-SD 4.03Å; I376-M462 HydrophobicContact CD1-CG 4.23Å; I376-M462 HydrophobicContact CD1-SD 3.47Å; I376-M462 WeakPolarHBondContact CD1-SD 3.38Å; I376-M462 HydrophobicContact CG1-SD 4.32Å; I376-M462 HydrophobicContact CG2-CE 4.26Å; I376-M462 HydrophobicContact CG2-SD 4.02Å; T459-M462 HydrophobicContact CG2-CE 4.12Å; T459-M462 WeakPolarHBondContact O-CE 3.27Å; T459-M462 WeakPolarHBondContact O-CG 3.22Å; T459-M462 PolarHBondContact O-N 3.15Å; M462-I464 HydrophobicContact CB-CD1 4.36Å; M462-I464 HydrophobicContact CB-CG1 3.91Å; M462-I464 HydrophobicContact CE-CD1 3.61Å; M462-I464 HydrophobicContact CE-CG1 4.36Å; M462-I464 PolarHBondContact O-N 3.4Å
463	K	90.3	Very high	93.4	Very high	99 Å²	99	17.6 Å²	17.6	43%	0.43	10%	0.095	S	C	.	.	S	Bend	trans	-77.9	52.3	178.5	-61.7	-163.3	-169.7	164.5	0	113.1	C179 G366 P369	C179-K463 VanDerWaalsContact SG-C 3.59Å; G366-K463 PolarHBondContact O-NZ 3.43Å; G366-K463 VanDerWaalsContact O-NZ 3.16Å; P369-K463 HydrophobicContact CB-CB 4.01Å; P369-K463 HydrophobicContact CB-CD 3.56Å; P369-K463 HydrophobicContact CB-CG 3.92Å; P369-K463 HydrophobicContact CG-CD 3.97Å
464	I	93.5	Very high	93.4	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.087	C	C	.	.	S	Bend	trans	-141.8	156.8	176	55.5	176.1	0	0	0	109.4	V168 G180 V214 L219 L221 V373 M462 S466	V168-I464 HydrophobicContact CB-CG2 3.89Å; V168-I464 HydrophobicContact CG2-CG2 4.09Å; G180-I464 PolarHBondContact N-O 3.03Å; V214-I464 HydrophobicContact CG1-CD1 3.86Å; V214-I464 HydrophobicContact CG2-CB 3.96Å; V214-I464 HydrophobicContact CG2-CD1 4.13Å; V214-I464 HydrophobicContact CG2-CG1 4.49Å; V214-I464 HydrophobicContact CG2-CG2 4.41Å; L219-I464 HydrophobicContact CD1-CD1 3.61Å; L221-I464 HydrophobicContact CD1-CD1 3.75Å; L221-I464 HydrophobicContact CD1-CG1 4.35Å; V373-I464 HydrophobicContact CG1-CD1 4.26Å; V373-I464 HydrophobicContact CG1-CG2 4.27Å; V373-I464 HydrophobicContact CG2-CG2 3.99Å; M462-I464 HydrophobicContact CB-CD1 4.36Å; M462-I464 HydrophobicContact CB-CG1 3.91Å; M462-I464 HydrophobicContact CE-CD1 3.61Å; M462-I464 HydrophobicContact CE-CG1 4.36Å; M462-I464 PolarHBondContact O-N 3.4Å; I464-S466 PolarHBondContact O-N 3.26Å; I464-S466 PolarHBondContact O-OG 3.48Å
465	P	94.6	Very high	93.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-55.5	128.2	170.4	-21.6	28.5	0	0	0	110.4	V171 K207 T210 L211 V214 P226	V171-P465 HydrophobicContact CG2-CG 4.3Å; K207-P465 HydrophobicContact CG-CB 4.41Å; K207-P465 HydrophobicContact CG-CG 4.32Å; T210-P465 VanDerWaalsContact OG1-CG 3.28Å; T210-P465 WeakPolarHBondContact OG1-CG 3.5Å; L211-P465 HydrophobicContact CD1-CB 4.13Å; V214-P465 WeakPolarHBondContact CG1-O 3.37Å; P226-P465 HydrophobicContact CG-CB 4.46Å
466	S	91.9	Very high	93.6	Very high	1 Å²	1	12 Å²	12	1%	0.007	6%	0.063	C	C	.	.			trans	-145.9	121.5	-174.2	37.1	0	0	0	0	111	G180 S181 L221 I464	G180-S466 CarbonylContact C-O 3.57Å; G180-S466 WeakPolarHBondContact CA-OG 3.44Å; G180-S466 PolarHBondContact O-N 2.91Å; S181-S466 WeakPolarHBondContact CA-O 3.35Å; S181-S466 WeakPolarHBondContact CB-O 3.47Å; S181-S466 PolarHBondContact N-O 3.17Å; S181-S466 VanDerWaalsContact N-O 3.1Å; L221-S466 VanDerWaalsContact CD2-CB 3.44Å; I464-S466 PolarHBondContact O-N 3.26Å; I464-S466 PolarHBondContact O-OG 3.48Å
467	G	92.9	Very high	93.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.01	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-101.7	147.9	167.3	0	0	0	0	0	111.5	G222	G222-G467 PolarHBondContact N-O 2.88Å; G222-G467 WeakPolarHBondContact O-CA 3.27Å; G222-G467 PolarHBondContact O-N 3.44Å
468	L	93.5	Very high	93.6	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.057	C	C	.	.			trans	-110.9	-13.9	-175.3	-175.9	60.2	0	0	0	113.9	F349 F460 P471 S472 V528 I571	F349-L468 HydrophobicContact CE1-CD1 4Å; F349-L468 HydrophobicContact CE1-CD2 3.54Å; F349-L468 HydrophobicContact CE1-CG 4.39Å; F349-L468 HydrophobicContact CE2-CD1 4.21Å; F349-L468 HydrophobicContact CZ-CD1 3.52Å; F349-L468 HydrophobicContact CZ-CD2 3.88Å; F349-L468 HydrophobicContact CZ-CG 4.35Å; F460-L468 HydrophobicContact CD1-CD2 4.23Å; F460-L468 HydrophobicContact CD2-CB 4.05Å; F460-L468 HydrophobicContact CD2-CD1 4.34Å; F460-L468 HydrophobicContact CD2-CD2 4.45Å; F460-L468 HydrophobicContact CE1-CD2 4.07Å; F460-L468 HydrophobicContact CE2-CB 3.85Å; F460-L468 HydrophobicContact CE2-CD2 4.33Å; F460-L468 HydrophobicContact CG-CD1 4.34Å; F460-L468 HydrophobicContact CG-CD2 4.41Å; F460-L468 HydrophobicContact CZ-CB 4.34Å; F460-L468 HydrophobicContact CZ-CD2 4.14Å; L468-P471 WeakPolarHBondContact O-CD 3.22Å; L468-S472 WeakPolarHBondContact O-CB 3.46Å; L468-S472 PolarHBondContact O-N 3.17Å; L468-S472 VanDerWaalsContact O-N 3.15Å; L468-S472 PolarHBondContact O-OG 2.89Å; L468-V528 HydrophobicContact CD2-CG1 3.56Å; L468-V528 HydrophobicContact CG-CG1 4.19Å; L468-I571 HydrophobicContact CD2-CB 4.28Å; L468-I571 HydrophobicContact CD2-CG1 3.74Å; L468-I571 HydrophobicContact CD2-CG2 3.94Å
469	F	93.7	Very high	93.8	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.018	5%	0.046	C	C	.	.	H	α-helix	trans	-58.9	-58.8	-176.7	-65.9	-21.3	0	0	0	112.5	I183 E224 F268 F277 S472 M473 L525 T529 M531 Y572	I183-F469 HydrophobicContact CD1-CE2 4.32Å; I183-F469 HydrophobicContact CD1-CZ 3.95Å; E224-F469 HydrophobicContact CB-CB 4.4Å; E224-F469 HydrophobicContact CB-CD2 3.87Å; F268-F469 AromaticContact CE2-CD2 3.63Å; F268-F469 HydrophobicContact CE2-CD2 3.63Å; F268-F469 AromaticContact CE2-CE2 3.95Å; F268-F469 HydrophobicContact CE2-CE2 3.95Å; F268-F469 HydrophobicContact CZ-CB 3.89Å; F268-F469 AromaticContact CZ-CD2 3.36Å; F268-F469 HydrophobicContact CZ-CD2 3.36Å; F268-F469 HydrophobicContact CZ-CE2 4.13Å; F268-F469 AromaticContact CZ-CG 3.94Å; F268-F469 HydrophobicContact CZ-CG 3.94Å; F277-F469 HydrophobicContact CE2-CE2 4.2Å; F277-F469 AromaticContact CE2-CZ 3.57Å; F277-F469 HydrophobicContact CE2-CZ 3.57Å; F277-F469 HydrophobicContact CZ-CE2 4.33Å; F277-F469 AromaticContact CZ-CZ 3.79Å; F277-F469 HydrophobicContact CZ-CZ 3.79Å; F469-S472 PolarHBondContact O-N 3.27Å; F469-M473 WeakPolarHBondContact O-CG 3.27Å; F469-M473 PolarHBondContact O-N 3.29Å; F469-L525 HydrophobicContact CB-CD1 4.39Å; F469-L525 HydrophobicContact CD1-CD1 3.71Å; F469-L525 HydrophobicContact CE1-CD1 4.44Å; F469-L525 HydrophobicContact CG-CD1 4.4Å; F469-T529 HydrophobicContact CD1-CG2 4.11Å; F469-T529 HydrophobicContact CE1-CG2 3.78Å; F469-M531 HydrophobicContact CE1-CE 4.44Å; F469-M531 HydrophobicContact CZ-CE 4.44Å; F469-Y572 AromaticContact CE1-CE2 3.97Å; F469-Y572 HydrophobicContact CE1-CE2 3.97Å; F469-Y572 AromaticContact CE1-CZ 3.91Å; F469-Y572 WeakPolarHBondContact CE1-OH 3.5Å; F469-Y572 HydrophobicContact CZ-CE2 4.41Å; F469-Y572 WeakPolarHBondContact CZ-OH 2.96Å
470	I	92.6	Very high	93.9	Very high	7 Å²	7	8 Å²	8	4%	0.036	5%	0.046	C	C	.	.	H	α-helix	trans	-59.8	-48.4	-177.7	-65.5	-80.7	0	0	0	112.6	E224 F319 T394 I398 S472 M473 A474	E224-I470 HydrophobicContact CG-CD1 4.19Å; E224-I470 HydrophobicContact CG-CG1 3.66Å; F319-I470 HydrophobicContact CE2-CD1 4.45Å; F319-I470 HydrophobicContact CZ-CD1 4.42Å; T394-I470 HydrophobicContact CG2-CG2 3.59Å; I398-I470 HydrophobicContact CD1-CD1 4.39Å; I398-I470 HydrophobicContact CD1-CG2 4.04Å; I470-S472 VanDerWaalsContact C-N 3.3Å; I470-S472 PolarHBondContact O-N 2.79Å; I470-M473 HydrophobicContact CB-CE 4.49Å; I470-M473 HydrophobicContact CD1-CE 3.46Å; I470-M473 VanDerWaalsContact CD1-CE 3.46Å; I470-M473 HydrophobicContact CG1-CE 4.06Å; I470-M473 PolarHBondContact O-N 3.04Å; I470-A474 PolarHBondContact O-N 2.86Å
471	P	94.4	Very high	93.9	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-60.1	-36.5	176.5	-24.8	33	0	0	0	114.4	S220 T456 L468 A474 V475	S220-P471 WeakPolarHBondContact O-CG 3.33Å; T456-P471 HydrophobicContact CG2-CB 3.64Å; L468-P471 WeakPolarHBondContact O-CD 3.22Å; P471-A474 PolarHBondContact O-N 3.46Å; P471-V475 WeakPolarHBondContact O-CG2 3.18Å; P471-V475 PolarHBondContact O-N 3.26Å
472	S	94.9	Very high	94.1	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.014	4%	0.039	C	C	.	.	H	α-helix	trans	-71.5	-39.3	178.3	-54.3	0	0	0	0	111.8	L468 F469 I470 G476 C524	L468-S472 WeakPolarHBondContact O-CB 3.46Å; L468-S472 PolarHBondContact O-N 3.17Å; L468-S472 VanDerWaalsContact O-N 3.15Å; L468-S472 PolarHBondContact O-OG 2.89Å; F469-S472 PolarHBondContact O-N 3.27Å; I470-S472 VanDerWaalsContact C-N 3.3Å; I470-S472 PolarHBondContact O-N 2.79Å; S472-G476 PolarHBondContact O-N 3.2Å; S472-C524 WeakPolarHBondContact O-CB 3.43Å
473	M	94.6	Very high	94.3	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.015	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-41	172.8	-70.6	-172.3	-55.2	0	0	111.4	F268 I398 F469 I470 G476 A477 A521 L525 M539	F268-M473 HydrophobicContact CE1-CE 3.89Å; I398-M473 HydrophobicContact CD1-CB 3.96Å; I398-M473 HydrophobicContact CD1-CE 4.5Å; F469-M473 WeakPolarHBondContact O-CG 3.27Å; F469-M473 PolarHBondContact O-N 3.29Å; I470-M473 HydrophobicContact CB-CE 4.49Å; I470-M473 HydrophobicContact CD1-CE 3.46Å; I470-M473 VanDerWaalsContact CD1-CE 3.46Å; I470-M473 HydrophobicContact CG1-CE 4.06Å; I470-M473 PolarHBondContact O-N 3.04Å; M473-G476 CarbonylContact O-C 3.43Å; M473-G476 PolarHBondContact O-N 3.46Å; M473-A477 VanDerWaalsContact O-CB 3.31Å; M473-A477 WeakPolarHBondContact O-CB 3.18Å; M473-A477 PolarHBondContact O-N 3.17Å; M473-A521 HydrophobicContact CB-CB 4.12Å; M473-A521 HydrophobicContact CG-CB 4.46Å; M473-A521 WeakPolarHBondContact O-CB 3.36Å; M473-L525 HydrophobicContact CG-CB 4.01Å; M473-L525 HydrophobicContact CG-CD2 3.6Å; M473-L525 HydrophobicContact CG-CG 4.32Å; M473-L525 HydrophobicContact SD-CD2 3.74Å; M473-M539 HydrophobicContact CG-CE 3.94Å; M473-M539 HydrophobicContact SD-CE 3.35Å; M473-M539 WeakPolarHBondContact SD-CE 3.46Å
474	A	95	Very high	94.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.5	-42.8	178.7	0	0	0	0	0	113	T394 I398 I470 P471 G476 A477 M478	T394-A474 HydrophobicContact CG2-CB 3.4Å; T394-A474 VanDerWaalsContact CG2-CB 3.4Å; I398-A474 HydrophobicContact CD1-CB 4.08Å; I398-A474 HydrophobicContact CG1-CB 4.01Å; I470-A474 PolarHBondContact O-N 2.86Å; P471-A474 PolarHBondContact O-N 3.46Å; A474-G476 VanDerWaalsContact C-N 3.27Å; A474-G476 PolarHBondContact O-N 3.44Å; A474-A477 PolarHBondContact O-N 2.95Å; A474-M478 WeakPolarHBondContact O-CE 3.48Å; A474-M478 WeakPolarHBondContact O-CG 3.22Å; A474-M478 PolarHBondContact O-N 3Å
475	V	96.4	Very high	94.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-57.7	-44.6	173.9	169.9	0	0	0	0	110.5	W345 L449 K452 I453 P471 A479	W345-V475 HydrophobicContact CD2-CG1 4.27Å; W345-V475 HydrophobicContact CG-CG1 4.38Å; W345-V475 HydrophobicContact CZ2-CG1 4.37Å; W345-V475 HydrophobicContact CZ2-CG2 4.35Å; L449-V475 HydrophobicContact CD1-CB 4.36Å; L449-V475 HydrophobicContact CD1-CG1 3.76Å; L449-V475 VanDerWaalsContact CD1-O 3.29Å; L449-V475 WeakPolarHBondContact CD1-O 3.38Å; K452-V475 HydrophobicContact CB-CG2 4.07Å; I453-V475 HydrophobicContact CD1-CG1 4.24Å; I453-V475 HydrophobicContact CG1-CG1 3.8Å; I453-V475 HydrophobicContact CG1-CG2 4.26Å; P471-V475 WeakPolarHBondContact O-CG2 3.18Å; P471-V475 PolarHBondContact O-N 3.26Å; V475-A479 PolarHBondContact O-N 3.08Å
476	G	96.4	Very high	94	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-67.9	-40.5	176.7	0	0	0	0	0	114.2	S472 M473 A474 A479 G480 G520 C524	S472-G476 PolarHBondContact O-N 3.2Å; M473-G476 CarbonylContact O-C 3.43Å; M473-G476 PolarHBondContact O-N 3.46Å; A474-G476 VanDerWaalsContact C-N 3.27Å; A474-G476 PolarHBondContact O-N 3.44Å; G476-A479 PolarHBondContact O-N 3.06Å; G476-G480 PolarHBondContact O-N 3.06Å; G476-G520 VanDerWaalsContact CA-C 3.45Å; G476-G520 WeakPolarHBondContact CA-O 3.31Å; G476-G520 CarbonylContact O-C 3.56Å; G476-G520 WeakPolarHBondContact O-CA 3.44Å; G476-C524 WeakPolarHBondContact CA-SG 3.41Å
477	A	95.3	Very high	93.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.9	-43	179.2	0	0	0	0	0	111.5	L401 F402 M473 A474 G480 R481 A517 A521	L401-A477 HydrophobicContact CB-CB 4.3Å; L401-A477 HydrophobicContact CD1-CB 3.74Å; F402-A477 HydrophobicContact CE1-CB 3.91Å; M473-A477 VanDerWaalsContact O-CB 3.31Å; M473-A477 WeakPolarHBondContact O-CB 3.18Å; M473-A477 PolarHBondContact O-N 3.17Å; A474-A477 PolarHBondContact O-N 2.95Å; A477-G480 PolarHBondContact O-N 3.42Å; A477-R481 WeakPolarHBondContact O-CB 3.45Å; A477-R481 PolarHBondContact O-N 3.03Å; A477-A517 WeakPolarHBondContact CA-O 3.45Å; A477-A517 HydrophobicContact CB-CB 4.48Å; A477-A521 HydrophobicContact CB-CB 4.21Å
478	M	95.6	Very high	93.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.9	-46.1	176	-70.8	-177.6	-68.4	0	0	111.5	L397 L401 L445 A448 L449 K452 A474 M482	L397-M478 HydrophobicContact CD2-SD 4.18Å; L401-M478 HydrophobicContact CD1-CG 3.74Å; L445-M478 HydrophobicContact CD2-CG 4.28Å; A448-M478 HydrophobicContact CB-SD 3.85Å; L449-M478 HydrophobicContact CB-CE 4.38Å; L449-M478 HydrophobicContact CD1-CB 4.23Å; L449-M478 HydrophobicContact CD1-CE 4.09Å; K452-M478 HydrophobicContact CB-CE 3.89Å; K452-M478 HydrophobicContact CG-CE 3.89Å; A474-M478 WeakPolarHBondContact O-CE 3.48Å; A474-M478 WeakPolarHBondContact O-CG 3.22Å; A474-M478 PolarHBondContact O-N 3Å; M478-M482 WeakPolarHBondContact O-CE 3.18Å; M478-M482 WeakPolarHBondContact O-CG 3.21Å; M478-M482 PolarHBondContact O-N 3.39Å; M478-M482 VanDerWaalsContact O-N 3.08Å
479	A	96.6	Very high	93.3	Very high	8 Å²	8	9.5 Å²	9.5	7%	0.066	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-43.3	176.6	0	0	0	0	0	111.7	F341 L449 V475 G476 M482 V483	F341-A479 HydrophobicContact CD1-CB 4.08Å; F341-A479 HydrophobicContact CE1-CB 3.49Å; F341-A479 VanDerWaalsContact CE1-CB 3.49Å; F341-A479 HydrophobicContact CZ-CB 4.03Å; L449-A479 HydrophobicContact CD1-CB 4.46Å; L449-A479 HydrophobicContact CD2-CB 4.33Å; V475-A479 PolarHBondContact O-N 3.08Å; G476-A479 PolarHBondContact O-N 3.06Å; A479-M482 PolarHBondContact O-N 3.29Å; A479-V483 WeakPolarHBondContact O-CG2 3.22Å; A479-V483 PolarHBondContact O-N 3.42Å
480	G	95.8	Very high	93	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.5	-50.4	176.3	0	0	0	0	0	112.3	G476 A477 M482 V483 G484 Y516	G476-G480 PolarHBondContact O-N 3.06Å; A477-G480 PolarHBondContact O-N 3.42Å; G480-M482 VanDerWaalsContact C-N 3.34Å; G480-M482 PolarHBondContact O-N 3.47Å; G480-V483 PolarHBondContact O-N 3.02Å; G480-V483 VanDerWaalsContact O-N 3.16Å; G480-G484 PolarHBondContact O-N 3.47Å; G480-Y516 VanDerWaalsContact CA-O 3.24Å; G480-Y516 WeakPolarHBondContact CA-O 3.45Å; G480-Y516 VanDerWaalsContact O-CB 3.22Å; G480-Y516 WeakPolarHBondContact O-CB 3.46Å
481	R	93.8	Very high	92.5	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.011	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-41.7	178.8	-171.5	64.4	175.6	-145.5	5	112.1	L401 N403 L413 A477 V483 G484 I485 A517	L401-R481 HydrophobicContact CD2-CB 3.71Å; L401-R481 HydrophobicContact CD2-CG 3.78Å; L401-R481 PolarHBondContact O-NH1 2.85Å; N403-R481 PolarHBondContact O-NH1 2.92Å; N403-R481 PolarHBondContact O-NH2 3.29Å; L413-R481 HydrophobicContact CD2-CG 3.99Å; A477-R481 WeakPolarHBondContact O-CB 3.45Å; A477-R481 PolarHBondContact O-N 3.03Å; R481-V483 PolarHBondContact O-N 3.14Å; R481-G484 PolarHBondContact O-N 3.02Å; R481-I485 HydrophobicContact CG-CD1 4.07Å; R481-I485 WeakPolarHBondContact O-CG1 3.44Å; R481-I485 PolarHBondContact O-N 3.39Å; R481-A517 HydrophobicContact CB-CB 4Å
482	M	93.7	Very high	91.9	Very high	35 Å²	35	15.8 Å²	15.8	17%	0.172	9%	0.089	C	C	.	.	H	α-helix	trans	-62.8	-41	176	-74.1	-172.4	-68.2	0	0	112.3	L445 A446 L449 M478 A479 G480 G486	L445-M482 HydrophobicContact CB-CG 4.39Å; L445-M482 HydrophobicContact CB-SD 4.27Å; A446-M482 HydrophobicContact CB-SD 4.01Å; L449-M482 HydrophobicContact CB-CE 4.19Å; L449-M482 HydrophobicContact CD2-CE 3.46Å; L449-M482 VanDerWaalsContact CD2-CE 3.46Å; L449-M482 HydrophobicContact CG-CE 4.37Å; M478-M482 WeakPolarHBondContact O-CE 3.18Å; M478-M482 WeakPolarHBondContact O-CG 3.21Å; M478-M482 PolarHBondContact O-N 3.39Å; M478-M482 VanDerWaalsContact O-N 3.08Å; A479-M482 PolarHBondContact O-N 3.29Å; G480-M482 VanDerWaalsContact C-N 3.34Å; G480-M482 PolarHBondContact O-N 3.47Å; M482-G486 PolarHBondContact O-N 2.84Å
483	V	94.5	Very high	91.4	Very high	45 Å²	45	21.2 Å²	21.2	27%	0.273	11%	0.114	S	C	.	.	H	α-helix	trans	-67.4	-41.2	174.4	173.1	0	0	0	0	110.8	P334 L338 A479 G480 R481 G486 V487 Y516	P334-V483 HydrophobicContact CB-CG1 4.38Å; L338-V483 HydrophobicContact CD2-CB 4.18Å; L338-V483 HydrophobicContact CD2-CG2 3.9Å; A479-V483 WeakPolarHBondContact O-CG2 3.22Å; A479-V483 PolarHBondContact O-N 3.42Å; G480-V483 PolarHBondContact O-N 3.02Å; G480-V483 VanDerWaalsContact O-N 3.16Å; R481-V483 PolarHBondContact O-N 3.14Å; V483-G486 PolarHBondContact O-N 3.09Å; V483-V487 HydrophobicContact CG1-CG2 4.24Å; V483-V487 WeakPolarHBondContact O-CG2 3.22Å; V483-V487 PolarHBondContact O-N 3.21Å; V483-Y516 HydrophobicContact CG1-CD1 4.01Å; V483-Y516 HydrophobicContact CG1-CE1 4.36Å
484	G	91.8	Very high	90.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-53.3	177.5	0	0	0	0	0	112.5	G480 R481 G486 V487 E488	G480-G484 PolarHBondContact O-N 3.47Å; R481-G484 PolarHBondContact O-N 3.02Å; G484-G486 VanDerWaalsContact C-N 3.27Å; G484-G486 PolarHBondContact O-N 3.49Å; G484-V487 PolarHBondContact O-N 3.35Å; G484-V487 VanDerWaalsContact O-N 3.17Å; G484-E488 WeakPolarHBondContact O-CB 3.35Å; G484-E488 PolarHBondContact O-N 3.41Å
485	I	90.1	Very high	89.8	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-39.8	175.1	-63.9	170.5	0	0	0	110.2	V438 M442 R481 V487 E488 Q489 P513	V438-I485 HydrophobicContact CG1-CG2 4.02Å; M442-I485 HydrophobicContact SD-CG2 4Å; R481-I485 HydrophobicContact CG-CD1 4.07Å; R481-I485 WeakPolarHBondContact O-CG1 3.44Å; R481-I485 PolarHBondContact O-N 3.39Å; I485-V487 PolarHBondContact O-N 3.26Å; I485-E488 PolarHBondContact O-N 2.9Å; I485-Q489 HydrophobicContact CG2-CG 4.21Å; I485-Q489 WeakPolarHBondContact O-CB 3.39Å; I485-Q489 VanDerWaalsContact O-CG 3.26Å; I485-Q489 WeakPolarHBondContact O-CG 3.26Å; I485-Q489 PolarHBondContact O-N 3.13Å; I485-P513 HydrophobicContact CG1-CB 4.01Å; I485-P513 HydrophobicContact CG1-CG 4.29Å
486	G	90.3	Very high	88.6	Confident	35 Å²	35	33.4 Å²	33.4	36%	0.361	18%	0.176	S	C	.	.	H	α-helix	trans	-61.4	-41.4	176.2	0	0	0	0	0	113.7	M482 V483 G484 L490	M482-G486 PolarHBondContact O-N 2.84Å; V483-G486 PolarHBondContact O-N 3.09Å; G484-G486 VanDerWaalsContact C-N 3.27Å; G484-G486 PolarHBondContact O-N 3.49Å; G486-L490 VanDerWaalsContact O-CB 3.27Å; G486-L490 WeakPolarHBondContact O-CB 3.09Å; G486-L490 PolarHBondContact O-N 2.86Å
487	V	89.3	Confident	87.9	Confident	23 Å²	23	39.6 Å²	39.6	14%	0.139	20%	0.199	C	C	.	.	H	α-helix	trans	-71.9	-40.9	177.9	174.4	0	0	0	0	111	P334 V483 G484 I485 L490 A491 V511 Y516	P334-V487 HydrophobicContact CB-CG2 4.4Å; V483-V487 HydrophobicContact CG1-CG2 4.24Å; V483-V487 WeakPolarHBondContact O-CG2 3.22Å; V483-V487 PolarHBondContact O-N 3.21Å; G484-V487 PolarHBondContact O-N 3.35Å; G484-V487 VanDerWaalsContact O-N 3.17Å; I485-V487 PolarHBondContact O-N 3.26Å; V487-L490 PolarHBondContact O-N 3.2Å; V487-A491 WeakPolarHBondContact O-CB 3.35Å; V487-A491 PolarHBondContact O-N 3.19Å; V487-V511 HydrophobicContact CB-CG1 4.45Å; V487-V511 HydrophobicContact CG1-CG1 4.14Å; V487-V511 HydrophobicContact CG1-CG2 4.2Å; V487-Y516 HydrophobicContact CG2-CE1 4.17Å
488	E	86.7	Confident	86.7	Confident	10 Å²	10	47 Å²	47	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-52.8	173.6	-175.3	-159.4	166.5	0	0	110.8	Y416 G484 I485 L490 A491 Y492 V511 P513	Y416-E488 VanDerWaalsContact CE1-OE1 3.25Å; Y416-E488 WeakPolarHBondContact CE1-OE1 3.33Å; Y416-E488 PolarHBondContact OH-OE1 3.48Å; Y416-E488 PolarHBondContact OH-OE2 3.37Å; G484-E488 WeakPolarHBondContact O-CB 3.35Å; G484-E488 PolarHBondContact O-N 3.41Å; I485-E488 PolarHBondContact O-N 2.9Å; E488-L490 VanDerWaalsContact C-N 3.31Å; E488-L490 PolarHBondContact O-N 3.16Å; E488-A491 PolarHBondContact O-N 2.97Å; E488-Y492 PolarHBondContact O-N 3.43Å; E488-V511 HydrophobicContact CB-CB 4.24Å; E488-V511 HydrophobicContact CB-CG1 4.29Å; E488-P513 HydrophobicContact CB-CG 4.41Å; E488-P513 WeakPolarHBondContact OE2-CG 3.14Å
489	Q	87.4	Confident	85.8	Confident	21 Å²	21	51.8 Å²	51.8	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-33.3	179.5	-64.8	-54.4	-62.2	0	0	112.5	R432 A434 I485 Y492 H493	R432-Q489 PolarHBondContact O-NE2 3.24Å; A434-Q489 HydrophobicContact CB-CG 4.18Å; I485-Q489 HydrophobicContact CG2-CG 4.21Å; I485-Q489 WeakPolarHBondContact O-CB 3.39Å; I485-Q489 VanDerWaalsContact O-CG 3.26Å; I485-Q489 WeakPolarHBondContact O-CG 3.26Å; I485-Q489 PolarHBondContact O-N 3.13Å; Q489-Y492 PolarHBondContact O-N 2.78Å; Q489-H493 PolarHBondContact O-CD2 3.46Å; Q489-H493 VanDerWaalsContact O-CD2 3.3Å; Q489-H493 PolarHBondContact O-N 3.31Å
490	L	87.1	Confident	84.8	Confident	73 Å²	73	52 Å²	52	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-43.2	174.3	-174.4	71.7	0	0	0	111.6	G486 V487 E488 Y492 H493 H494 W497 F500	G486-L490 VanDerWaalsContact O-CB 3.27Å; G486-L490 WeakPolarHBondContact O-CB 3.09Å; G486-L490 PolarHBondContact O-N 2.86Å; V487-L490 PolarHBondContact O-N 3.2Å; E488-L490 VanDerWaalsContact C-N 3.31Å; E488-L490 PolarHBondContact O-N 3.16Å; L490-Y492 VanDerWaalsContact C-N 3.32Å; L490-H493 PolarHBondContact O-N 2.89Å; L490-H494 WeakPolarHBondContact O-CB 3.36Å; L490-H494 PolarHBondContact O-N 2.93Å; L490-W497 HydrophobicContact CD1-CZ3 4.39Å; L490-F500 HydrophobicContact CD2-CE2 4.23Å; L490-F500 HydrophobicContact CD2-CZ 4.14Å; L490-F500 HydrophobicContact CG-CE2 4.22Å; L490-F500 HydrophobicContact CG-CZ 4.41Å
491	A	83.6	Confident	83.5	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-41.6	175.5	0	0	0	0	0	110.8	V487 E488 H494 H495 F500 V511	V487-A491 WeakPolarHBondContact O-CB 3.35Å; V487-A491 PolarHBondContact O-N 3.19Å; E488-A491 PolarHBondContact O-N 2.97Å; A491-H494 CarbonylContact O-C 3.39Å; A491-H494 PolarHBondContact O-N 3.28Å; A491-H495 PolarHBondContact O-N 3.46Å; A491-H495 VanDerWaalsContact O-N 3.14Å; A491-H495 PolarHBondContact O-ND1 2.87Å; A491-F500 HydrophobicContact CB-CD1 3.98Å; A491-F500 HydrophobicContact CB-CE1 4.07Å; A491-F500 HydrophobicContact CB-CG 4.37Å; A491-V511 HydrophobicContact CB-CG2 4.33Å
492	Y	81.7	Confident	82.4	Confident	70 Å²	70	67.4 Å²	67.4	28%	0.275	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-41.5	178.2	-174.4	-92.2	0	0	0	113.4	D431 P433 E488 Q489 L490 H495	D431-Y492 HydrophobicContact CB-CD2 4.25Å; D431-Y492 WeakPolarHBondContact O-CD2 3.32Å; D431-Y492 VanDerWaalsContact O-CE2 3.27Å; D431-Y492 WeakPolarHBondContact O-CE2 3.5Å; P433-Y492 HydrophobicContact CB-CD1 4.31Å; P433-Y492 HydrophobicContact CB-CE1 3.82Å; P433-Y492 HydrophobicContact CG-CE1 4.05Å; E488-Y492 PolarHBondContact O-N 3.43Å; Q489-Y492 PolarHBondContact O-N 2.78Å; L490-Y492 VanDerWaalsContact C-N 3.32Å; Y492-H495 VanDerWaalsContact C-CE1 3.42Å; Y492-H495 WeakPolarHBondContact CA-CE1 3.45Å; Y492-H495 AromaticContact CD2-CE1 3.88Å; Y492-H495 PolarHBondContact O-CE1 3.49Å; Y492-H495 PolarHBondContact O-ND1 3.41Å
493	H	83.2	Confident	81.5	Confident	117 Å²	117	67.4 Å²	67.4	54%	0.542	33%	0.328	S	S	.	.	H	α-helix	trans	-81.2	-23.8	179.8	-78.3	-66.2	0	0	0	113.7	Q489 L490	Q489-H493 PolarHBondContact O-CD2 3.46Å; Q489-H493 VanDerWaalsContact O-CD2 3.3Å; Q489-H493 PolarHBondContact O-N 3.31Å; L490-H493 PolarHBondContact O-N 2.89Å
494	H	83.3	Confident	80.5	Confident	78 Å²	78	65.5 Å²	65.5	36%	0.361	32%	0.317	S	S	.	.			trans	-127.5	45.8	-174	-63.4	-55.3	0	0	0	113.6	L490 A491 D496 W497	L490-H494 WeakPolarHBondContact O-CB 3.36Å; L490-H494 PolarHBondContact O-N 2.93Å; A491-H494 CarbonylContact O-C 3.39Å; A491-H494 PolarHBondContact O-N 3.28Å; H494-D496 PolarHBondContact O-N 3.41Å; H494-D496 VanDerWaalsContact O-N 3.09Å; H494-W497 HydrophobicContact CB-CB 4.5Å; H494-W497 HydrophobicContact CB-CD2 3.89Å; H494-W497 HydrophobicContact CB-CE3 4.28Å; H494-W497 HydrophobicContact CB-CG 3.97Å; H494-W497 WeakPolarHBondContact O-CB 2.97Å; H494-W497 PolarHBondContact O-N 2.99Å; H494-W497 VanDerWaalsContact O-N 3.08Å
495	H	73.6	Confident	79.4	Confident	36 Å²	36	75 Å²	75	17%	0.167	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.3	175.1	-66.8	95.5	0	0	0	113.8	A491 Y492 W497 R501	A491-H495 PolarHBondContact O-N 3.46Å; A491-H495 VanDerWaalsContact O-N 3.14Å; A491-H495 PolarHBondContact O-ND1 2.87Å; Y492-H495 VanDerWaalsContact C-CE1 3.42Å; Y492-H495 WeakPolarHBondContact CA-CE1 3.45Å; Y492-H495 AromaticContact CD2-CE1 3.88Å; Y492-H495 PolarHBondContact O-CE1 3.49Å; Y492-H495 PolarHBondContact O-ND1 3.41Å; H495-W497 VanDerWaalsContact C-N 3.31Å; H495-W497 PolarHBondContact O-N 3.37Å; H495-R501 WeakPolarHBondContact O-CA 3Å; H495-R501 PolarHBondContact O-N 2.92Å
496	D	72.3	Confident	78.1	Confident	145 Å²	145	80.1 Å²	80.1	78%	0.775	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-10.9	-177.3	-67.3	-35.8	0	0	0	114.4	H494	H494-D496 PolarHBondContact O-N 3.41Å; H494-D496 VanDerWaalsContact O-N 3.09Å
497	W	79.8	Confident	76.8	Confident	130 Å²	130	80.2 Å²	80.2	49%	0.492	39%	0.386	S	S	.	.	S	Bend	trans	-63.7	144.1	178.6	-85.8	10.9	0	0	0	111.5	L490 H494 H495 I499 F500 R501	L490-W497 HydrophobicContact CD1-CZ3 4.39Å; H494-W497 HydrophobicContact CB-CB 4.5Å; H494-W497 HydrophobicContact CB-CD2 3.89Å; H494-W497 HydrophobicContact CB-CE3 4.28Å; H494-W497 HydrophobicContact CB-CG 3.97Å; H494-W497 WeakPolarHBondContact O-CB 2.97Å; H494-W497 PolarHBondContact O-N 2.99Å; H494-W497 VanDerWaalsContact O-N 3.08Å; H495-W497 VanDerWaalsContact C-N 3.31Å; H495-W497 PolarHBondContact O-N 3.37Å; W497-I499 PolarHBondContact O-N 3.04Å; W497-F500 HydrophobicContact CB-CD2 4.14Å; W497-F500 HydrophobicContact CE3-CE2 4.18Å; W497-F500 PolarHBondContact O-N 3.48Å; W497-R501 VanDerWaalsContact O-CB 3.3Å; W497-R501 WeakPolarHBondContact O-CB 3.24Å; W497-R501 PolarHBondContact O-N 2.03Å
498	I	71.6	Confident	75.6	Confident	155 Å²	155	81.3 Å²	81.3	80%	0.795	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.9	-177.5	-62.6	163.4	0	0	0	111.8
499	I	75.3	Confident	74.8	Confident	100 Å²	100	83.3 Å²	83.3	51%	0.513	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-54.2	178.2	-60.7	165.3	0	0	0	109.7	A330 W497 W503	A330-I499 HydrophobicContact CB-CG2 4.43Å; W497-I499 PolarHBondContact O-N 3.04Å; I499-W503 HydrophobicContact CG2-CZ2 4.48Å; I499-W503 PolarHBondContact O-NE1 2.97Å
500	F	75.8	Confident	74.3	Confident	14 Å²	14	82.5 Å²	82.5	6%	0.061	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-24.1	-170.6	-58.3	-65.8	0	0	0	114.7	L490 A491 W497 N502 W503 C504	L490-F500 HydrophobicContact CD2-CE2 4.23Å; L490-F500 HydrophobicContact CD2-CZ 4.14Å; L490-F500 HydrophobicContact CG-CE2 4.22Å; L490-F500 HydrophobicContact CG-CZ 4.41Å; A491-F500 HydrophobicContact CB-CD1 3.98Å; A491-F500 HydrophobicContact CB-CE1 4.07Å; A491-F500 HydrophobicContact CB-CG 4.37Å; W497-F500 HydrophobicContact CB-CD2 4.14Å; W497-F500 HydrophobicContact CE3-CE2 4.18Å; W497-F500 PolarHBondContact O-N 3.48Å; F500-N502 PolarHBondContact O-N 3.32Å; F500-W503 HydrophobicContact CD1-CH2 4.13Å; F500-W503 AromaticContact CD1-CZ2 3.56Å; F500-W503 HydrophobicContact CD1-CZ2 3.56Å; F500-W503 HydrophobicContact CE1-CH2 4.14Å; F500-W503 AromaticContact CE1-CZ2 3.78Å; F500-W503 HydrophobicContact CE1-CZ2 3.78Å; F500-W503 PolarHBondContact O-N 3.01Å; F500-C504 HydrophobicContact CB-CB 4.43Å; F500-C504 PolarHBondContact O-N 3.21Å
501	R	70	Confident	74.1	Confident	182 Å²	182	79.2 Å²	79.2	69%	0.687	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.8	-174.3	-178.5	174	175.8	169.6	0.8	115	H495 W497	H495-R501 WeakPolarHBondContact O-CA 3Å; H495-R501 PolarHBondContact O-N 2.92Å; W497-R501 VanDerWaalsContact O-CB 3.3Å; W497-R501 WeakPolarHBondContact O-CB 3.24Å; W497-R501 PolarHBondContact O-N 2.03Å
502	N	70	Confident	74.3	Confident	143 Å²	143	79.8 Å²	79.8	77%	0.765	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-19	-173.1	-69	-16.8	0	0	0	114.2	F500	F500-N502 PolarHBondContact O-N 3.32Å
503	W	74.9	Confident	74.6	Confident	36 Å²	36	76.9 Å²	76.9	14%	0.136	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-21.6	-172.5	51.7	-68.5	0	0	0	114	Y328 A330 E331 I499 F500	Y328-W503 VanDerWaalsContact CB-CE3 3.46Å; Y328-W503 HydrophobicContact CD1-CB 3.54Å; Y328-W503 HydrophobicContact CD1-CD2 4.4Å; Y328-W503 HydrophobicContact CD1-CE3 4.2Å; Y328-W503 HydrophobicContact CD1-CG 4.2Å; Y328-W503 HydrophobicContact CD2-CB 4.44Å; Y328-W503 HydrophobicContact CD2-CD2 4.15Å; Y328-W503 AromaticContact CD2-CE3 3.21Å; Y328-W503 HydrophobicContact CD2-CE3 3.21Å; Y328-W503 AromaticContact CD2-CZ3 3.78Å; Y328-W503 HydrophobicContact CD2-CZ3 3.78Å; Y328-W503 HydrophobicContact CE1-CB 3.64Å; Y328-W503 AromaticContact CE2-CE3 3.91Å; Y328-W503 HydrophobicContact CE2-CE3 3.91Å; Y328-W503 HydrophobicContact CG-CB 3.95Å; Y328-W503 AromaticContact CG-CD2 3.89Å; Y328-W503 HydrophobicContact CG-CD2 3.89Å; Y328-W503 AromaticContact CG-CE3 3.35Å; Y328-W503 HydrophobicContact CG-CE3 3.35Å; Y328-W503 HydrophobicContact CG-CG 4.18Å; Y328-W503 HydrophobicContact CG-CZ3 4.08Å; A330-W503 HydrophobicContact CB-CH2 4.15Å; A330-W503 HydrophobicContact CB-CZ2 3.42Å; A330-W503 VanDerWaalsContact CB-CZ2 3.42Å; E331-W503 HydrophobicContact CG-CH2 3.5Å; E331-W503 VanDerWaalsContact CG-CH2 3.5Å; E331-W503 HydrophobicContact CG-CZ3 3.59Å; I499-W503 HydrophobicContact CG2-CZ2 4.48Å; I499-W503 PolarHBondContact O-NE1 2.97Å; F500-W503 HydrophobicContact CD1-CH2 4.13Å; F500-W503 AromaticContact CD1-CZ2 3.56Å; F500-W503 HydrophobicContact CD1-CZ2 3.56Å; F500-W503 HydrophobicContact CE1-CH2 4.14Å; F500-W503 AromaticContact CE1-CZ2 3.78Å; F500-W503 HydrophobicContact CE1-CZ2 3.78Å; F500-W503 PolarHBondContact O-N 3.01Å
504	C	73	Confident	74.8	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.034	36%	0.356	C	S	.	.			trans	-105.5	116.4	174.6	-172.7	0	0	0	0	111.1	F500 C510	F500-C504 HydrophobicContact CB-CB 4.43Å; F500-C504 PolarHBondContact O-N 3.21Å; C504-C510 WeakPolarHBondContact CA-SG 3.21Å; C504-C510 HydrophobicContact CB-CB 3.66Å; C504-C510 WeakPolarHBondContact CB-SG 3.48Å; C504-C510 WeakPolarHBondContact SG-CB 3.43Å; C504-C510 CovalentContact SG-SG 2.03Å; C504-C510 PolarHBondContact SG-SG 3.03Å
505	R	67.9	Low	75.2	Confident	198 Å²	198	67.6 Å²	67.6	75%	0.747	34%	0.339	S	S	*	.			trans	-100.2	142.3	175	-70.6	-176	-179.5	172.4	2.2	109.6	G507 A508	R505-G507 PolarHBondContact O-N 3.41Å; R505-A508 PolarHBondContact O-N 3.32Å
506	P	63.8	Low	76.1	Confident	111 Å²	111	65.9 Å²	65.9	72%	0.721	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	122.3	175	-22.4	31.9	0	0	0	111.4
507	G	62	Low	77.2	Confident	36 Å²	36	59 Å²	59	37%	0.371	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	28.2	178.8	0	0	0	0	0	115.6	R424 R505	R424-G507 PolarHBondContact NH1-O 3.42Å; R505-G507 PolarHBondContact O-N 3.41Å
508	A	65.4	Low	77.8	Confident	46 Å²	46	52.9 Å²	52.9	38%	0.38	27%	0.271	S	S	.	.	S	Bend	trans	-127.9	155.4	167.3	0	0	0	0	0	109.8	R505 C510	R505-A508 PolarHBondContact O-N 3.32Å; A508-C510 PolarHBondContact O-N 3.2Å; A508-C510 PolarHBondContact O-SG 2.86Å; A508-C510 VanDerWaalsContact O-SG 3.4Å
509	D	69.5	Low	78.9	Confident	53 Å²	53	45.5 Å²	45.5	28%	0.283	23%	0.233	S	C	.	.			trans	-76.3	109.3	177.8	-63.3	-3.8	0	0	0	109.1	T325 I429 P430	T325-D509 HydrophobicContact CG2-CB 3.67Å; I429-D509 VanDerWaalsContact C-OD1 3.28Å; P430-D509 WeakPolarHBondContact CA-OD1 3.47Å
510	C	76.4	Confident	79.9	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.02	21%	0.209	C	C	.	.			trans	-100.4	-33.6	-173.2	-60.8	0	0	0	0	113	D431 C504 A508	D431-C510 WeakPolarHBondContact OD2-CB 3.48Å; D431-C510 PolarHBondContact OD2-N 3.44Å; D431-C510 VanDerWaalsContact OD2-N 3.16Å; C504-C510 WeakPolarHBondContact CA-SG 3.21Å; C504-C510 HydrophobicContact CB-CB 3.66Å; C504-C510 WeakPolarHBondContact CB-SG 3.48Å; C504-C510 WeakPolarHBondContact SG-CB 3.43Å; C504-C510 CovalentContact SG-SG 2.03Å; C504-C510 PolarHBondContact SG-SG 3.03Å; A508-C510 PolarHBondContact O-N 3.2Å; A508-C510 PolarHBondContact O-SG 2.86Å; A508-C510 VanDerWaalsContact O-SG 3.4Å
511	V	84.1	Confident	80.8	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.024	21%	0.206	C	C	.	.			trans	-138.4	125.6	-171.7	-178.3	0	0	0	0	108.6	V487 E488 A491 P513 Y516	V487-V511 HydrophobicContact CB-CG1 4.45Å; V487-V511 HydrophobicContact CG1-CG1 4.14Å; V487-V511 HydrophobicContact CG1-CG2 4.2Å; E488-V511 HydrophobicContact CB-CB 4.24Å; E488-V511 HydrophobicContact CB-CG1 4.29Å; A491-V511 HydrophobicContact CB-CG2 4.33Å; V511-P513 WeakPolarHBondContact O-CD 3.29Å; V511-Y516 HydrophobicContact CG1-CD2 4.34Å; V511-Y516 HydrophobicContact CG1-CE2 3.65Å
512	T	86.2	Confident	82	Confident	13 Å²	13	31.5 Å²	31.5	8%	0.08	17%	0.174	C	C	.	.			trans	-99.2	107.3	175.7	39.2	0	0	0	0	110.7	Y323 T325 G514 L515 Y516	Y323-T512 HydrophobicContact CD1-CG2 4.19Å; T325-T512 HydrophobicContact CG2-CG2 4.46Å; T325-T512 WeakPolarHBondContact OG1-CG2 3.31Å; T512-G514 PolarHBondContact O-N 3.41Å; T512-L515 WeakPolarHBondContact O-CB 3.46Å; T512-L515 PolarHBondContact O-N 3.17Å; T512-L515 VanDerWaalsContact O-N 3.12Å; T512-Y516 WeakPolarHBondContact O-CD2 3.24Å
513	P	88.6	Confident	83.3	Confident	10 Å²	10	24.7 Å²	24.7	7%	0.065	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-27.6	-178.7	-24.2	35.7	0	0	0	113.7	I485 E488 V511 L515 Y516 A517	I485-P513 HydrophobicContact CG1-CB 4.01Å; I485-P513 HydrophobicContact CG1-CG 4.29Å; E488-P513 HydrophobicContact CB-CG 4.41Å; E488-P513 WeakPolarHBondContact OE2-CG 3.14Å; V511-P513 WeakPolarHBondContact O-CD 3.29Å; P513-L515 VanDerWaalsContact C-N 3.33Å; P513-L515 PolarHBondContact O-N 3.04Å; P513-Y516 PolarHBondContact O-N 2.9Å; P513-A517 PolarHBondContact O-N 3.46Å
514	G	88.3	Confident	84.4	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-39.9	174.3	0	0	0	0	0	112.5	Y323 F402 T512 Y516 A517 M518	Y323-G514 PolarHBondContact OH-O 2.92Å; F402-G514 WeakPolarHBondContact O-CA 3.25Å; T512-G514 PolarHBondContact O-N 3.41Å; G514-Y516 VanDerWaalsContact C-N 3.32Å; G514-Y516 PolarHBondContact O-N 3.43Å; G514-A517 WeakPolarHBondContact O-CB 3.42Å; G514-A517 PolarHBondContact O-N 3.37Å; G514-A517 VanDerWaalsContact O-N 3.08Å; G514-M518 WeakPolarHBondContact O-CG 3.39Å; G514-M518 PolarHBondContact O-N 3.13Å
515	L	90.4	Very high	85.4	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-41.5	176.3	179.1	59.7	0	0	0	112.1	W327 F335 T512 P513 A517 M518 V519 Y548	W327-L515 HydrophobicContact CB-CD2 3.89Å; F335-L515 HydrophobicContact CE1-CG 4.48Å; F335-L515 HydrophobicContact CZ-CD2 3.92Å; F335-L515 HydrophobicContact CZ-CG 4.1Å; T512-L515 WeakPolarHBondContact O-CB 3.46Å; T512-L515 PolarHBondContact O-N 3.17Å; T512-L515 VanDerWaalsContact O-N 3.12Å; P513-L515 VanDerWaalsContact C-N 3.33Å; P513-L515 PolarHBondContact O-N 3.04Å; L515-A517 VanDerWaalsContact C-N 3.32Å; L515-A517 PolarHBondContact O-N 3.5Å; L515-M518 HydrophobicContact CD1-CE 3.57Å; L515-M518 PolarHBondContact O-N 3.39Å; L515-V519 HydrophobicContact CD1-CG2 4.3Å; L515-V519 WeakPolarHBondContact O-CG2 3.27Å; L515-V519 PolarHBondContact O-N 3.47Å; L515-Y548 HydrophobicContact CD1-CD1 3.59Å; L515-Y548 HydrophobicContact CD1-CE1 4.38Å; L515-Y548 HydrophobicContact CD1-CG 3.76Å; L515-Y548 HydrophobicContact CD2-CD1 3.89Å; L515-Y548 HydrophobicContact CD2-CE1 4.16Å; L515-Y548 HydrophobicContact CG-CD1 4.4Å
516	Y	93.8	Very high	86.7	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.2	-37.3	176.1	-74.1	-108.7	0	0	0	111.9	E331 P334 F335 L338 G480 V483 V487 V511 T512 P513 G514 V519 G520	E331-Y516 WeakPolarHBondContact CB-OH 3.34Å; E331-Y516 WeakPolarHBondContact CG-OH 3.4Å; E331-Y516 WeakPolarHBondContact OE2-CE2 3.42Å; E331-Y516 PolarHBondContact OE2-OH 3.33Å; P334-Y516 HydrophobicContact CB-CE1 3.86Å; P334-Y516 HydrophobicContact CG-CE1 3.74Å; F335-Y516 HydrophobicContact CD1-CD1 4.12Å; F335-Y516 HydrophobicContact CD1-CE1 4.07Å; F335-Y516 AromaticContact CE1-CD1 3.76Å; F335-Y516 HydrophobicContact CE1-CD1 3.76Å; F335-Y516 AromaticContact CE1-CD2 3.84Å; F335-Y516 HydrophobicContact CE1-CD2 3.84Å; F335-Y516 AromaticContact CE1-CE1 3.68Å; F335-Y516 HydrophobicContact CE1-CE1 3.68Å; F335-Y516 AromaticContact CE1-CE2 3.73Å; F335-Y516 HydrophobicContact CE1-CE2 3.73Å; F335-Y516 AromaticContact CE1-CG 3.83Å; F335-Y516 HydrophobicContact CE1-CG 3.83Å; F335-Y516 AromaticContact CE1-CZ 3.64Å; F335-Y516 HydrophobicContact CZ-CD2 4.38Å; F335-Y516 HydrophobicContact CZ-CE1 4.46Å; F335-Y516 AromaticContact CZ-CE2 3.96Å; F335-Y516 HydrophobicContact CZ-CE2 3.96Å; F335-Y516 AromaticContact CZ-CZ 3.99Å; L338-Y516 HydrophobicContact CD1-CD1 4.1Å; G480-Y516 VanDerWaalsContact CA-O 3.24Å; G480-Y516 WeakPolarHBondContact CA-O 3.45Å; G480-Y516 VanDerWaalsContact O-CB 3.22Å; G480-Y516 WeakPolarHBondContact O-CB 3.46Å; V483-Y516 HydrophobicContact CG1-CD1 4.01Å; V483-Y516 HydrophobicContact CG1-CE1 4.36Å; V487-Y516 HydrophobicContact CG2-CE1 4.17Å; V511-Y516 HydrophobicContact CG1-CD2 4.34Å; V511-Y516 HydrophobicContact CG1-CE2 3.65Å; T512-Y516 WeakPolarHBondContact O-CD2 3.24Å; P513-Y516 PolarHBondContact O-N 2.9Å; G514-Y516 VanDerWaalsContact C-N 3.32Å; G514-Y516 PolarHBondContact O-N 3.43Å; Y516-V519 PolarHBondContact O-N 2.67Å; Y516-G520 PolarHBondContact O-N 2.99Å
517	A	94	Very high	88.2	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-44.4	174.1	0	0	0	0	0	111.4	L401 F402 A477 R481 P513 G514 L515 G520 A521	L401-A517 HydrophobicContact CB-CB 4.33Å; L401-A517 WeakPolarHBondContact O-CB 3.34Å; F402-A517 HydrophobicContact CD1-CB 3.84Å; F402-A517 HydrophobicContact CE1-CB 4.16Å; A477-A517 WeakPolarHBondContact CA-O 3.45Å; A477-A517 HydrophobicContact CB-CB 4.48Å; R481-A517 HydrophobicContact CB-CB 4Å; P513-A517 PolarHBondContact O-N 3.46Å; G514-A517 WeakPolarHBondContact O-CB 3.42Å; G514-A517 PolarHBondContact O-N 3.37Å; G514-A517 VanDerWaalsContact O-N 3.08Å; L515-A517 VanDerWaalsContact C-N 3.32Å; L515-A517 PolarHBondContact O-N 3.5Å; A517-G520 PolarHBondContact O-N 3.3Å; A517-A521 WeakPolarHBondContact O-CB 3.36Å; A517-A521 PolarHBondContact O-N 3.15Å
518	M	92.4	Very high	89.8	Confident	2 Å²	2	6.6 Å²	6.6	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-63.2	-45.6	176.3	-62.8	-168.1	-53	0	0	112.4	Y323 F402 G514 L515 G520 A521 A522 T543	Y323-M518 HydrophobicContact CD2-CE 3.87Å; Y323-M518 HydrophobicContact CE2-CE 3.05Å; Y323-M518 HydrophobicContact CE2-SD 3.51Å; Y323-M518 VanDerWaalsContact CE2-SD 3.51Å; Y323-M518 WeakPolarHBondContact OH-CE 3.41Å; Y323-M518 PolarHBondContact OH-SD 2.88Å; F402-M518 HydrophobicContact CB-CG 4.36Å; F402-M518 HydrophobicContact CD1-CG 3.72Å; F402-M518 HydrophobicContact CD2-CG 3.88Å; F402-M518 HydrophobicContact CD2-SD 4.46Å; F402-M518 HydrophobicContact CE1-CB 4.32Å; F402-M518 HydrophobicContact CE1-CG 3.87Å; F402-M518 HydrophobicContact CE2-CG 4.04Å; F402-M518 HydrophobicContact CG-CG 3.74Å; F402-M518 HydrophobicContact CZ-CB 4.44Å; F402-M518 HydrophobicContact CZ-CG 4.03Å; G514-M518 WeakPolarHBondContact O-CG 3.39Å; G514-M518 PolarHBondContact O-N 3.13Å; L515-M518 HydrophobicContact CD1-CE 3.57Å; L515-M518 PolarHBondContact O-N 3.39Å; M518-G520 PolarHBondContact O-N 3.47Å; M518-A521 WeakPolarHBondContact O-CB 3.42Å; M518-A521 PolarHBondContact O-N 3.05Å; M518-A522 PolarHBondContact O-N 3.01Å; M518-T543 HydrophobicContact CE-CG2 4.23Å; M518-T543 HydrophobicContact SD-CG2 3.21Å; M518-T543 WeakPolarHBondContact SD-CG2 3.12Å
519	V	94.9	Very high	91.2	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63	-42.4	177.5	174.4	0	0	0	0	111.1	F335 L338 L515 Y516 A522 A523 P551 L552 A555	F335-V519 HydrophobicContact CB-CG1 3.99Å; F335-V519 HydrophobicContact CD1-CB 4.01Å; F335-V519 HydrophobicContact CD1-CG1 3.74Å; F335-V519 HydrophobicContact CD1-CG2 3.98Å; F335-V519 HydrophobicContact CE1-CB 4.38Å; F335-V519 HydrophobicContact CE1-CG2 4.05Å; F335-V519 HydrophobicContact CG-CG1 4.06Å; F335-V519 HydrophobicContact CG-CG2 4.45Å; L338-V519 HydrophobicContact CD1-CG1 4.43Å; L515-V519 HydrophobicContact CD1-CG2 4.3Å; L515-V519 WeakPolarHBondContact O-CG2 3.27Å; L515-V519 PolarHBondContact O-N 3.47Å; Y516-V519 PolarHBondContact O-N 2.67Å; V519-A522 PolarHBondContact O-N 3.35Å; V519-A523 WeakPolarHBondContact O-CB 3.36Å; V519-A523 PolarHBondContact O-N 2.96Å; V519-P551 HydrophobicContact CG2-CB 4.01Å; V519-L552 HydrophobicContact CG2-CD2 4.1Å; V519-L552 HydrophobicContact CG2-CG 4.5Å; V519-A555 HydrophobicContact CG1-CB 3.38Å
520	G	96.4	Very high	92.3	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.01	1%	0.013	C	C	.	.	H	α-helix	trans	-62.6	-42.4	175	0	0	0	0	0	112.7	G476 Y516 A517 M518 A523 C524	G476-G520 VanDerWaalsContact CA-C 3.45Å; G476-G520 WeakPolarHBondContact CA-O 3.31Å; G476-G520 CarbonylContact O-C 3.56Å; G476-G520 WeakPolarHBondContact O-CA 3.44Å; Y516-G520 PolarHBondContact O-N 2.99Å; A517-G520 PolarHBondContact O-N 3.3Å; M518-G520 PolarHBondContact O-N 3.47Å; G520-A523 PolarHBondContact O-N 2.87Å; G520-C524 PolarHBondContact O-N 2.97Å
521	A	95.4	Very high	92.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.3	-46.5	176	0	0	0	0	0	111.7	F402 M473 A477 A517 M518 L525 M539	F402-A521 HydrophobicContact CE1-CB 4.08Å; F402-A521 HydrophobicContact CZ-CB 3.87Å; M473-A521 HydrophobicContact CB-CB 4.12Å; M473-A521 HydrophobicContact CG-CB 4.46Å; M473-A521 WeakPolarHBondContact O-CB 3.36Å; A477-A521 HydrophobicContact CB-CB 4.21Å; A517-A521 WeakPolarHBondContact O-CB 3.36Å; A517-A521 PolarHBondContact O-N 3.15Å; M518-A521 WeakPolarHBondContact O-CB 3.42Å; M518-A521 PolarHBondContact O-N 3.05Å; A521-L525 VanDerWaalsContact O-CB 3.31Å; A521-L525 WeakPolarHBondContact O-CB 3.37Å; A521-L525 PolarHBondContact O-N 3.38Å; A521-M539 HydrophobicContact CB-CE 4.31Å
522	A	95.5	Very high	93.3	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.5	-43.5	175.1	0	0	0	0	0	112	M518 V519 G526 L535 M539 L552	M518-A522 PolarHBondContact O-N 3.01Å; V519-A522 PolarHBondContact O-N 3.35Å; A522-G526 PolarHBondContact O-N 3.45Å; A522-L535 VanDerWaalsContact O-CD2 3.31Å; A522-L535 WeakPolarHBondContact O-CD2 3.39Å; A522-M539 HydrophobicContact CB-CE 4.33Å; A522-M539 HydrophobicContact CB-CG 4.15Å; A522-L552 HydrophobicContact CB-CD2 3.72Å
523	A	97.2	Very high	93.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.1	-49.3	177.9	0	0	0	0	0	112.3	L338 V519 G520 G526 G527 A555 S559	L338-A523 WeakPolarHBondContact O-CB 3.46Å; V519-A523 WeakPolarHBondContact O-CB 3.36Å; V519-A523 PolarHBondContact O-N 2.96Å; G520-A523 PolarHBondContact O-N 2.87Å; A523-G526 PolarHBondContact O-N 3.47Å; A523-G527 PolarHBondContact O-N 3.07Å; A523-A555 HydrophobicContact CB-CB 4.28Å; A523-S559 VanDerWaalsContact O-CB 3.31Å; A523-S559 WeakPolarHBondContact O-CB 3.21Å; A523-S559 PolarHBondContact O-OG 2.99Å
524	C	96.7	Very high	93.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.4	-40.6	-179.2	-73.5	0	0	0	0	112.4	S472 G476 G520 G527 V528	S472-C524 WeakPolarHBondContact O-CB 3.43Å; G476-C524 WeakPolarHBondContact CA-SG 3.41Å; G520-C524 PolarHBondContact O-N 2.97Å; C524-G527 PolarHBondContact O-N 3.34Å; C524-V528 WeakPolarHBondContact O-CG2 3.49Å; C524-V528 PolarHBondContact O-N 3.25Å
525	L	95.3	Very high	94.1	Very high	7 Å²	7	6.8 Å²	6.8	4%	0.037	4%	0.04	C	C	.	.	H	α-helix	trans	-63.9	-46.4	176.1	-179	54.8	0	0	0	111	F469 M473 A521 G527 V528 T529 L535 M539	F469-L525 HydrophobicContact CB-CD1 4.39Å; F469-L525 HydrophobicContact CD1-CD1 3.71Å; F469-L525 HydrophobicContact CE1-CD1 4.44Å; F469-L525 HydrophobicContact CG-CD1 4.4Å; M473-L525 HydrophobicContact CG-CB 4.01Å; M473-L525 HydrophobicContact CG-CD2 3.6Å; M473-L525 HydrophobicContact CG-CG 4.32Å; M473-L525 HydrophobicContact SD-CD2 3.74Å; A521-L525 VanDerWaalsContact O-CB 3.31Å; A521-L525 WeakPolarHBondContact O-CB 3.37Å; A521-L525 PolarHBondContact O-N 3.38Å; L525-G527 VanDerWaalsContact C-N 3.29Å; L525-G527 PolarHBondContact O-N 3.09Å; L525-V528 PolarHBondContact O-N 3.02Å; L525-T529 HydrophobicContact CD1-CG2 3.67Å; L525-T529 PolarHBondContact O-N 3.05Å; L525-T529 PolarHBondContact O-OG1 3.37Å; L525-L535 HydrophobicContact CB-CD1 4.33Å; L525-L535 HydrophobicContact CB-CD2 4.22Å; L525-L535 HydrophobicContact CD2-CD1 3.4Å; L525-L535 HydrophobicContact CG-CD1 3.88Å; L525-L535 HydrophobicContact CG-CD2 4.23Å; L525-M539 HydrophobicContact CD2-CE 4.4Å
526	G	95	Very high	94.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.1	-34.4	176.7	0	0	0	0	0	113.4	A522 A523 R530	A522-G526 PolarHBondContact O-N 3.45Å; A523-G526 PolarHBondContact O-N 3.47Å; G526-R530 WeakPolarHBondContact O-CA 3.26Å; G526-R530 PolarHBondContact O-N 3.4Å
527	G	95.4	Very high	94.2	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.5	-35.5	176.1	0	0	0	0	0	113.5	A523 C524 L525 R530 S559	A523-G527 PolarHBondContact O-N 3.07Å; C524-G527 PolarHBondContact O-N 3.34Å; L525-G527 VanDerWaalsContact C-N 3.29Å; L525-G527 PolarHBondContact O-N 3.09Å; G527-R530 WeakPolarHBondContact O-CD 3.49Å; G527-R530 PolarHBondContact O-NE 2.99Å; G527-S559 WeakPolarHBondContact CA-OG 3.39Å; G527-S559 PolarHBondContact N-OG 3.3Å; G527-S559 VanDerWaalsContact N-OG 3.13Å
528	V	95.4	Very high	94.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-79.5	-42.6	179.7	172	0	0	0	0	111.9	F349 L468 C524 L525 I571	F349-V528 HydrophobicContact CD1-CG1 4.05Å; F349-V528 HydrophobicContact CD1-CG2 4.31Å; F349-V528 HydrophobicContact CE1-CG1 4.19Å; L468-V528 HydrophobicContact CD2-CG1 3.56Å; L468-V528 HydrophobicContact CG-CG1 4.19Å; C524-V528 WeakPolarHBondContact O-CG2 3.49Å; C524-V528 PolarHBondContact O-N 3.25Å; L525-V528 PolarHBondContact O-N 3.02Å; V528-I571 HydrophobicContact CG1-CB 4.18Å; V528-I571 HydrophobicContact CG1-CG2 3.97Å; V528-I571 WeakPolarHBondContact O-CG2 3.47Å; V528-I571 PolarHBondContact O-N 3.46Å
529	T	93.5	Very high	93.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-96.4	-16.9	-174.5	63.1	0	0	0	0	113.9	F469 L525 M531 Y572	F469-T529 HydrophobicContact CD1-CG2 4.11Å; F469-T529 HydrophobicContact CE1-CG2 3.78Å; L525-T529 HydrophobicContact CD1-CG2 3.67Å; L525-T529 PolarHBondContact O-N 3.05Å; L525-T529 PolarHBondContact O-OG1 3.37Å; T529-M531 HydrophobicContact CG2-CE 4.29Å; T529-M531 HydrophobicContact CG2-SD 4.27Å; T529-M531 PolarHBondContact O-N 2.91Å; T529-M531 WeakPolarHBondContact OG1-CB 3.47Å; T529-M531 VanDerWaalsContact OG1-CG 3.3Å; T529-M531 WeakPolarHBondContact OG1-CG 3.4Å; T529-M531 PolarHBondContact OG1-N 3.23Å; T529-M531 PolarHBondContact OG1-SD 2.85Å; T529-Y572 HydrophobicContact CG2-CE2 4.01Å
530	R	92.6	Very high	93.6	Very high	9 Å²	9	11.8 Å²	11.8	3%	0.034	7%	0.066	C	C	.	.			trans	62.2	22.3	-173.9	-49.5	-54.9	178.3	95.3	4	114.6	G526 G527 A563 D564 G567	G526-R530 WeakPolarHBondContact O-CA 3.26Å; G526-R530 PolarHBondContact O-N 3.4Å; G527-R530 WeakPolarHBondContact O-CD 3.49Å; G527-R530 PolarHBondContact O-NE 2.99Å; R530-A563 VanDerWaalsContact NE-CB 3.32Å; R530-A563 PolarHBondContact NH1-O 3.24Å; R530-A563 VanDerWaalsContact NH1-O 3.13Å; R530-A563 VanDerWaalsContact NH2-C 3.3Å; R530-A563 PolarHBondContact NH2-O 3.14Å; R530-D564 IonicContact CZ-OD1 3.44Å; R530-D564 VanDerWaalsContact NH1-CA 3.26Å; R530-D564 IonicContact NH1-OD1 3.21Å; R530-D564 PolarHBondContact NH1-OD1 2.8Å; R530-G567 PolarHBondContact NH1-O 3.5Å; R530-G567 PolarHBondContact NH2-O 2.75Å; R530-G567 VanDerWaalsContact NH2-O 3.11Å
531	M	90.6	Very high	93.1	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.03	7%	0.073	C	C	.	.			trans	-88	141.2	176.6	-60.4	173.7	-176.8	0	0	110.7	F277 E281 F469 T529 L535 Y572	F277-M531 HydrophobicContact CD2-CE 4.06Å; F277-M531 HydrophobicContact CD2-SD 3.72Å; F277-M531 HydrophobicContact CE2-CE 3.24Å; F277-M531 HydrophobicContact CE2-SD 3.4Å; F277-M531 WeakPolarHBondContact CE2-SD 3.42Å; F277-M531 HydrophobicContact CZ-CE 3.91Å; E281-M531 HydrophobicContact CB-CE 3.81Å; E281-M531 VanDerWaalsContact CD-CG 3.49Å; E281-M531 HydrophobicContact CG-CE 3.38Å; E281-M531 HydrophobicContact CG-CG 3.47Å; E281-M531 VanDerWaalsContact CG-CG 3.47Å; E281-M531 HydrophobicContact CG-SD 3.81Å; F469-M531 HydrophobicContact CE1-CE 4.44Å; F469-M531 HydrophobicContact CZ-CE 4.44Å; T529-M531 HydrophobicContact CG2-CE 4.29Å; T529-M531 HydrophobicContact CG2-SD 4.27Å; T529-M531 PolarHBondContact O-N 2.91Å; T529-M531 WeakPolarHBondContact OG1-CB 3.47Å; T529-M531 VanDerWaalsContact OG1-CG 3.3Å; T529-M531 WeakPolarHBondContact OG1-CG 3.4Å; T529-M531 PolarHBondContact OG1-N 3.23Å; T529-M531 PolarHBondContact OG1-SD 2.85Å; M531-L535 HydrophobicContact CB-CB 4.23Å; M531-Y572 HydrophobicContact CE-CD2 4.06Å; M531-Y572 HydrophobicContact CE-CE2 3.76Å
532	T	90.7	Very high	92.5	Very high	23 Å²	23	13.5 Å²	13.5	14%	0.141	7%	0.073	C	C	.	.			trans	-124.7	-73.9	-176.8	48.7	0	0	0	0	112.3	E280 L535 V536 K560	E280-T532 PolarHBondContact OE1-N 3.43Å; E280-T532 PolarHBondContact OE1-OG1 3.01Å; T532-L535 PolarHBondContact O-N 3.49Å; T532-V536 WeakPolarHBondContact O-CG2 3.47Å; T532-V536 PolarHBondContact O-N 2.61Å; T532-V536 VanDerWaalsContact O-N 3.07Å; T532-K560 HydrophobicContact CG2-CB 4.18Å; T532-K560 HydrophobicContact CG2-CD 3.47Å; T532-K560 VanDerWaalsContact CG2-CD 3.47Å; T532-K560 HydrophobicContact CG2-CG 4.45Å
533	V	92.9	Very high	91.6	Very high	89 Å²	89	13.7 Å²	13.7	54%	0.539	7%	0.074	S	C	.	.	H	α-helix	trans	-67.7	-47.8	-170.5	179.6	0	0	0	0	110.8	L276 E280 L535 V536 V537	L276-V533 HydrophobicContact CD1-CG1 4.46Å; E280-V533 PolarHBondContact OE1-N 3.43Å; E280-V533 PolarHBondContact OE2-N 2.87Å; V533-L535 VanDerWaalsContact C-N 3.31Å; V533-L535 PolarHBondContact O-N 2.94Å; V533-V536 PolarHBondContact O-N 3.41Å; V533-V537 WeakPolarHBondContact O-CG2 3.3Å; V533-V537 PolarHBondContact O-N 2.77Å; V533-V537 VanDerWaalsContact O-N 3.11Å
534	S	93.7	Very high	90.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.2	-42.4	176.6	53.2	0	0	0	0	112.1	E280 V537 I538	E280-S534 WeakPolarHBondContact OE2-CB 3.35Å; E280-S534 PolarHBondContact OE2-N 3.3Å; E280-S534 PolarHBondContact OE2-OG 3.47Å; S534-V537 PolarHBondContact O-N 2.91Å; S534-I538 WeakPolarHBondContact O-CG1 3.5Å; S534-I538 PolarHBondContact O-N 2.99Å
535	L	93.4	Very high	89.5	Confident	6 Å²	6	17 Å²	17	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-45.9	179.5	176.6	59.1	0	0	0	112.3	A522 L525 M531 T532 V533 V537 I538 M539	A522-L535 VanDerWaalsContact O-CD2 3.31Å; A522-L535 WeakPolarHBondContact O-CD2 3.39Å; L525-L535 HydrophobicContact CB-CD1 4.33Å; L525-L535 HydrophobicContact CB-CD2 4.22Å; L525-L535 HydrophobicContact CD2-CD1 3.4Å; L525-L535 HydrophobicContact CG-CD1 3.88Å; L525-L535 HydrophobicContact CG-CD2 4.23Å; M531-L535 HydrophobicContact CB-CB 4.23Å; T532-L535 PolarHBondContact O-N 3.49Å; V533-L535 VanDerWaalsContact C-N 3.31Å; V533-L535 PolarHBondContact O-N 2.94Å; L535-V537 VanDerWaalsContact C-N 3.31Å; L535-V537 PolarHBondContact O-N 3.49Å; L535-I538 PolarHBondContact O-N 3.46Å; L535-M539 HydrophobicContact CD1-CE 4.03Å; L535-M539 HydrophobicContact CD1-CG 4.16Å; L535-M539 WeakPolarHBondContact O-CG 3.21Å; L535-M539 PolarHBondContact O-N 2.92Å
536	V	93.7	Very high	88.7	Confident	13 Å²	13	22.5 Å²	22.5	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-41.4	177.9	174.2	0	0	0	0	110.7	T532 V533 M539 F540 I549 L552 M553 A556	T532-V536 WeakPolarHBondContact O-CG2 3.47Å; T532-V536 PolarHBondContact O-N 2.61Å; T532-V536 VanDerWaalsContact O-N 3.07Å; V533-V536 PolarHBondContact O-N 3.41Å; V536-M539 PolarHBondContact O-N 3.03Å; V536-F540 VanDerWaalsContact O-CB 3.29Å; V536-F540 WeakPolarHBondContact O-CB 3.36Å; V536-F540 PolarHBondContact O-N 3.26Å; V536-I549 HydrophobicContact CG1-CG2 4.05Å; V536-L552 HydrophobicContact CG1-CB 4.36Å; V536-M553 HydrophobicContact CG2-CB 4.3Å; V536-A556 HydrophobicContact CG2-CB 4.21Å
537	V	93.5	Very high	88.1	Confident	32 Å²	32	28.1 Å²	28.1	19%	0.194	16%	0.164	C	C	.	.	H	α-helix	trans	-68.2	-39.2	177.7	176.5	0	0	0	0	111.9	I272 L276 V533 S534 L535 F540 E541	I272-V537 HydrophobicContact CB-CG1 4.1Å; I272-V537 HydrophobicContact CG2-CG1 3.86Å; L276-V537 HydrophobicContact CD1-CB 3.99Å; L276-V537 HydrophobicContact CD1-CG1 4.07Å; L276-V537 HydrophobicContact CD1-CG2 3.68Å; V533-V537 WeakPolarHBondContact O-CG2 3.3Å; V533-V537 PolarHBondContact O-N 2.77Å; V533-V537 VanDerWaalsContact O-N 3.11Å; S534-V537 PolarHBondContact O-N 2.91Å; L535-V537 VanDerWaalsContact C-N 3.31Å; L535-V537 PolarHBondContact O-N 3.49Å; V537-F540 PolarHBondContact O-N 3.12Å; V537-E541 HydrophobicContact CG1-CG 4.45Å; V537-E541 PolarHBondContact O-N 2.91Å
538	I	91.9	Very high	87.6	Confident	9 Å²	9	28.6 Å²	28.6	5%	0.046	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-48.6	173.8	-69.7	164.7	0	0	0	110	V264 F268 A270 S534 L535 F540 E541 L542	V264-I538 HydrophobicContact CG1-CD1 4.1Å; F268-I538 HydrophobicContact CB-CG2 3.92Å; F268-I538 HydrophobicContact CD1-CG2 4.2Å; F268-I538 HydrophobicContact CD2-CG2 4.11Å; F268-I538 HydrophobicContact CG-CG2 3.83Å; A270-I538 HydrophobicContact CB-CG1 4.41Å; A270-I538 HydrophobicContact CB-CG2 4.32Å; S534-I538 WeakPolarHBondContact O-CG1 3.5Å; S534-I538 PolarHBondContact O-N 2.99Å; L535-I538 PolarHBondContact O-N 3.46Å; I538-F540 VanDerWaalsContact C-N 3.32Å; I538-F540 PolarHBondContact O-N 3.08Å; I538-E541 PolarHBondContact O-N 3.48Å; I538-L542 HydrophobicContact CG2-CD1 3.82Å; I538-L542 HydrophobicContact CG2-CG 4.34Å; I538-L542 WeakPolarHBondContact O-CB 3.32Å; I538-L542 VanDerWaalsContact O-CG 3.22Å; I538-L542 WeakPolarHBondContact O-CG 3.31Å; I538-L542 PolarHBondContact O-N 3.23Å
539	M	89.3	Confident	87.3	Confident	4 Å²	4	31 Å²	31	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-37.6	178.7	-70.2	-66.1	-175.9	0	0	112.3	M473 A521 A522 L525 L535 V536 L542 T543 L552	M473-M539 HydrophobicContact CG-CE 3.94Å; M473-M539 HydrophobicContact SD-CE 3.35Å; M473-M539 WeakPolarHBondContact SD-CE 3.46Å; A521-M539 HydrophobicContact CB-CE 4.31Å; A522-M539 HydrophobicContact CB-CE 4.33Å; A522-M539 HydrophobicContact CB-CG 4.15Å; L525-M539 HydrophobicContact CD2-CE 4.4Å; L535-M539 HydrophobicContact CD1-CE 4.03Å; L535-M539 HydrophobicContact CD1-CG 4.16Å; L535-M539 WeakPolarHBondContact O-CG 3.21Å; L535-M539 PolarHBondContact O-N 2.92Å; V536-M539 PolarHBondContact O-N 3.03Å; M539-L542 PolarHBondContact O-N 3.3Å; M539-L542 HydrophobicContact SD-CD1 4.27Å; M539-T543 WeakPolarHBondContact O-CB 3.44Å; M539-T543 WeakPolarHBondContact O-CG2 3.34Å; M539-T543 PolarHBondContact O-N 3.34Å; M539-T543 VanDerWaalsContact O-N 3.13Å; M539-T543 PolarHBondContact O-OG1 2.91Å; M539-L552 HydrophobicContact CB-CD1 4.13Å; M539-L552 HydrophobicContact CB-CD2 4.49Å
540	F	86.7	Confident	87.3	Confident	49 Å²	49	34.5 Å²	34.5	22%	0.215	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-48	173.6	161.8	-110.3	0	0	0	112.1	V536 V537 I538 L542 T543 G544 L546 I549	V536-F540 VanDerWaalsContact O-CB 3.29Å; V536-F540 WeakPolarHBondContact O-CB 3.36Å; V536-F540 PolarHBondContact O-N 3.26Å; V537-F540 PolarHBondContact O-N 3.12Å; I538-F540 VanDerWaalsContact C-N 3.32Å; I538-F540 PolarHBondContact O-N 3.08Å; F540-L542 PolarHBondContact O-N 3.03Å; F540-T543 PolarHBondContact O-N 3.47Å; F540-T543 PolarHBondContact O-OG1 3.36Å; F540-G544 PolarHBondContact O-N 3.32Å; F540-L546 HydrophobicContact CD2-CD2 4.18Å; F540-L546 HydrophobicContact CE1-CD2 4.16Å; F540-L546 HydrophobicContact CE2-CB 4.27Å; F540-L546 HydrophobicContact CE2-CD2 3.3Å; F540-L546 HydrophobicContact CE2-CG 3.6Å; F540-L546 HydrophobicContact CZ-CD2 3.28Å; F540-L546 HydrophobicContact CZ-CG 3.87Å; F540-I549 HydrophobicContact CB-CG1 4.28Å; F540-I549 HydrophobicContact CD2-CD1 3.91Å; F540-I549 HydrophobicContact CD2-CG1 4.09Å; F540-I549 HydrophobicContact CE2-CD1 4.37Å; F540-I549 HydrophobicContact CG-CD1 4.06Å; F540-I549 HydrophobicContact CG-CG1 4.27Å
541	E	87.7	Confident	87.2	Confident	35 Å²	35	34.1 Å²	34.1	16%	0.164	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-30.6	177.1	-74.1	-170.5	128	0	0	112.1	A270 P271 I272 G273 V317 V537 I538 T543	A270-E541 WeakPolarHBondContact CA-OE2 3.44Å; A270-E541 HydrophobicContact CB-CB 3.79Å; A270-E541 VanDerWaalsContact CB-OE2 3.22Å; A270-E541 WeakPolarHBondContact CB-OE2 3.2Å; P271-E541 WeakPolarHBondContact CD-OE1 3.22Å; I272-E541 VanDerWaalsContact CB-OE1 3.26Å; I272-E541 WeakPolarHBondContact CB-OE1 3.47Å; I272-E541 WeakPolarHBondContact CD1-OE1 3.28Å; I272-E541 WeakPolarHBondContact CG1-OE1 3.3Å; I272-E541 PolarHBondContact N-OE1 3.32Å; I272-E541 PolarHBondContact N-OE2 3.39Å; G273-E541 PolarHBondContact N-OE2 3.06Å; V317-E541 WeakPolarHBondContact CG2-O 3.28Å; V537-E541 HydrophobicContact CG1-CG 4.45Å; V537-E541 PolarHBondContact O-N 2.91Å; I538-E541 PolarHBondContact O-N 3.48Å; E541-T543 VanDerWaalsContact C-N 3.33Å
542	L	80.9	Confident	87.4	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-70.8	-24.5	174.9	-77.6	172.7	0	0	0	113.7	F268 V317 F319 I538 M539 F540	F268-L542 HydrophobicContact CB-CD2 4.28Å; F268-L542 HydrophobicContact CD1-CD1 4.17Å; F268-L542 WeakPolarHBondContact O-CD2 3.4Å; V317-L542 VanDerWaalsContact CG1-CA 3.47Å; V317-L542 HydrophobicContact CG1-CB 4.29Å; V317-L542 HydrophobicContact CG1-CD2 3.86Å; V317-L542 WeakPolarHBondContact CG1-O 3.43Å; F319-L542 CarbonylContact C-O 3.48Å; F319-L542 HydrophobicContact CD2-CD1 4.49Å; F319-L542 HydrophobicContact CD2-CD2 4.34Å; I538-L542 HydrophobicContact CG2-CD1 3.82Å; I538-L542 HydrophobicContact CG2-CG 4.34Å; I538-L542 WeakPolarHBondContact O-CB 3.32Å; I538-L542 VanDerWaalsContact O-CG 3.22Å; I538-L542 WeakPolarHBondContact O-CG 3.31Å; I538-L542 PolarHBondContact O-N 3.23Å; M539-L542 PolarHBondContact O-N 3.3Å; M539-L542 HydrophobicContact SD-CD1 4.27Å; F540-L542 PolarHBondContact O-N 3.03Å
543	T	77.4	Confident	87.5	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-108.7	-31.7	-172.4	53.1	0	0	0	0	112	V321 M518 M539 F540 E541 G545	V321-T543 VanDerWaalsContact O-O 3.11Å; M518-T543 HydrophobicContact CE-CG2 4.23Å; M518-T543 HydrophobicContact SD-CG2 3.21Å; M518-T543 WeakPolarHBondContact SD-CG2 3.12Å; M539-T543 WeakPolarHBondContact O-CB 3.44Å; M539-T543 WeakPolarHBondContact O-CG2 3.34Å; M539-T543 PolarHBondContact O-N 3.34Å; M539-T543 VanDerWaalsContact O-N 3.13Å; M539-T543 PolarHBondContact O-OG1 2.91Å; F540-T543 PolarHBondContact O-N 3.47Å; F540-T543 PolarHBondContact O-OG1 3.36Å; E541-T543 VanDerWaalsContact C-N 3.33Å; T543-G545 VanDerWaalsContact C-N 3.26Å; T543-G545 PolarHBondContact O-N 2.93Å
544	G	75.2	Confident	87.6	Confident	50 Å²	50	34.7 Å²	34.7	52%	0.515	20%	0.198	S	C	.	.			trans	81	-3.5	179.6	0	0	0	0	0	114.8	F540	F540-G544 PolarHBondContact O-N 3.32Å
545	G	74.2	Confident	87.8	Confident	19 Å²	19	34.7 Å²	34.7	20%	0.196	20%	0.198	C	C	.	.			trans	-99.3	113.9	-179.6	0	0	0	0	0	113.5	T543 E547	T543-G545 VanDerWaalsContact C-N 3.26Å; T543-G545 PolarHBondContact O-N 2.93Å; G545-E547 VanDerWaalsContact C-N 3.27Å; G545-E547 PolarHBondContact O-N 2.74Å
546	L	78.4	Confident	87.9	Confident	123 Å²	123	34.4 Å²	34.4	64%	0.644	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-68.4	-25.5	177.3	-76	167.7	0	0	0	113	F540 Y548 I549	F540-L546 HydrophobicContact CD2-CD2 4.18Å; F540-L546 HydrophobicContact CE1-CD2 4.16Å; F540-L546 HydrophobicContact CE2-CB 4.27Å; F540-L546 HydrophobicContact CE2-CD2 3.3Å; F540-L546 HydrophobicContact CE2-CG 3.6Å; F540-L546 HydrophobicContact CZ-CD2 3.28Å; F540-L546 HydrophobicContact CZ-CG 3.87Å; L546-Y548 VanDerWaalsContact C-N 3.28Å; L546-Y548 PolarHBondContact O-N 3.3Å; L546-I549 HydrophobicContact CD2-CD1 3.86Å; L546-I549 WeakPolarHBondContact O-CG1 3.43Å
547	E	82.4	Confident	88	Confident	118 Å²	118	35.7 Å²	35.7	55%	0.551	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-68.9	-26.7	-173	-59.8	-170.4	172	0	0	112.7	W327 G545 I549	W327-E547 PolarHBondContact NE1-O 3.35Å; G545-E547 VanDerWaalsContact C-N 3.27Å; G545-E547 PolarHBondContact O-N 2.74Å; E547-I549 PolarHBondContact O-N 2.93Å
548	Y	85.6	Confident	88.1	Confident	9 Å²	9	35.3 Å²	35.3	4%	0.035	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-88.5	1.1	-174.2	-48.9	-55.3	0	0	0	114.3	Y323 T325 L515 L546 V550 P551 L552	Y323-Y548 WeakPolarHBondContact CB-OH 3.47Å; Y323-Y548 HydrophobicContact CD2-CD2 4.31Å; Y323-Y548 AromaticContact CD2-CE2 3.78Å; Y323-Y548 HydrophobicContact CD2-CE2 3.78Å; Y323-Y548 HydrophobicContact CG-CE2 4.27Å; Y323-Y548 PolarHBondContact O-OH 3.49Å; T325-Y548 PolarHBondContact O-OH 3.18Å; L515-Y548 HydrophobicContact CD1-CD1 3.59Å; L515-Y548 HydrophobicContact CD1-CE1 4.38Å; L515-Y548 HydrophobicContact CD1-CG 3.76Å; L515-Y548 HydrophobicContact CD2-CD1 3.89Å; L515-Y548 HydrophobicContact CD2-CE1 4.16Å; L515-Y548 HydrophobicContact CG-CD1 4.4Å; L546-Y548 VanDerWaalsContact C-N 3.28Å; L546-Y548 PolarHBondContact O-N 3.3Å; Y548-V550 VanDerWaalsContact C-N 3.32Å; Y548-V550 PolarHBondContact O-N 3.02Å; Y548-P551 WeakPolarHBondContact O-CD 3.36Å; Y548-L552 WeakPolarHBondContact O-CD1 3.35Å; Y548-L552 VanDerWaalsContact O-CG 3.29Å; Y548-L552 WeakPolarHBondContact O-CG 3.34Å; Y548-L552 PolarHBondContact O-N 3.47Å
549	I	90	Very high	88.4	Confident	52 Å²	52	34.9 Å²	34.9	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-61.9	-39	-178	-69.4	175.1	0	0	0	111.9	V536 F540 L546 E547 L552 M553	V536-I549 HydrophobicContact CG1-CG2 4.05Å; F540-I549 HydrophobicContact CB-CG1 4.28Å; F540-I549 HydrophobicContact CD2-CD1 3.91Å; F540-I549 HydrophobicContact CD2-CG1 4.09Å; F540-I549 HydrophobicContact CE2-CD1 4.37Å; F540-I549 HydrophobicContact CG-CD1 4.06Å; F540-I549 HydrophobicContact CG-CG1 4.27Å; L546-I549 HydrophobicContact CD2-CD1 3.86Å; L546-I549 WeakPolarHBondContact O-CG1 3.43Å; E547-I549 PolarHBondContact O-N 2.93Å; I549-L552 PolarHBondContact O-N 3.49Å; I549-M553 VanDerWaalsContact O-CB 3.32Å; I549-M553 WeakPolarHBondContact O-CB 3.12Å; I549-M553 PolarHBondContact O-N 2.91Å
550	V	91.8	Very high	88.7	Confident	73 Å²	73	37.5 Å²	37.5	44%	0.442	21%	0.212	S	C	.	.	H	α-helix	trans	-66.8	-50.9	-175.7	173.4	0	0	0	0	111.9	W327 Y548 L552 M553 A554	W327-V550 HydrophobicContact CH2-CB 4.25Å; W327-V550 HydrophobicContact CH2-CG1 3.82Å; W327-V550 HydrophobicContact CZ2-CB 3.76Å; W327-V550 HydrophobicContact CZ2-CG1 3.86Å; Y548-V550 VanDerWaalsContact C-N 3.32Å; Y548-V550 PolarHBondContact O-N 3.02Å; V550-L552 VanDerWaalsContact C-N 3.34Å; V550-L552 PolarHBondContact O-N 2.91Å; V550-M553 PolarHBondContact O-N 3.22Å; V550-A554 WeakPolarHBondContact O-CB 3.44Å; V550-A554 PolarHBondContact O-N 3.49Å
551	P	92.1	Very high	89.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-53.9	-46.2	171.4	-31.2	36.9	0	0	0	113.9	W327 F335 V519 Y548 M553 A554 A555	W327-P551 HydrophobicContact CD2-CG 3.55Å; W327-P551 HydrophobicContact CE3-CG 3.89Å; W327-P551 HydrophobicContact CG-CG 3.93Å; W327-P551 HydrophobicContact CH2-CG 4.33Å; W327-P551 HydrophobicContact CZ2-CG 4.05Å; W327-P551 HydrophobicContact CZ3-CG 4.25Å; F335-P551 HydrophobicContact CD2-CB 3.59Å; F335-P551 HydrophobicContact CD2-CG 4.05Å; F335-P551 HydrophobicContact CE2-CB 3.74Å; F335-P551 HydrophobicContact CE2-CG 3.87Å; F335-P551 HydrophobicContact CG-CB 4.24Å; F335-P551 HydrophobicContact CZ-CB 4.48Å; V519-P551 HydrophobicContact CG2-CB 4.01Å; Y548-P551 WeakPolarHBondContact O-CD 3.36Å; P551-M553 PolarHBondContact O-N 2.94Å; P551-A554 PolarHBondContact O-N 3.01Å; P551-A555 WeakPolarHBondContact O-CB 3.29Å; P551-A555 PolarHBondContact O-N 2.95Å
552	L	93.1	Very high	89.5	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-45	179.6	-72.2	169	0	0	0	111.6	V519 A522 V536 M539 Y548 I549 V550 A556	V519-L552 HydrophobicContact CG2-CD2 4.1Å; V519-L552 HydrophobicContact CG2-CG 4.5Å; A522-L552 HydrophobicContact CB-CD2 3.72Å; V536-L552 HydrophobicContact CG1-CB 4.36Å; M539-L552 HydrophobicContact CB-CD1 4.13Å; M539-L552 HydrophobicContact CB-CD2 4.49Å; Y548-L552 WeakPolarHBondContact O-CD1 3.35Å; Y548-L552 VanDerWaalsContact O-CG 3.29Å; Y548-L552 WeakPolarHBondContact O-CG 3.34Å; Y548-L552 PolarHBondContact O-N 3.47Å; I549-L552 PolarHBondContact O-N 3.49Å; V550-L552 VanDerWaalsContact C-N 3.34Å; V550-L552 PolarHBondContact O-N 2.91Å; L552-A556 VanDerWaalsContact O-CB 3.23Å; L552-A556 WeakPolarHBondContact O-CB 2.99Å; L552-A556 PolarHBondContact O-N 2.85Å
553	M	94.5	Very high	90.2	Very high	102 Å²	102	43.3 Å²	43.3	50%	0.502	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-43.8	178.1	-174.1	175.5	66.4	0	0	111.6	V536 I549 V550 P551 A556 V557	V536-M553 HydrophobicContact CG2-CB 4.3Å; I549-M553 VanDerWaalsContact O-CB 3.32Å; I549-M553 WeakPolarHBondContact O-CB 3.12Å; I549-M553 PolarHBondContact O-N 2.91Å; V550-M553 PolarHBondContact O-N 3.22Å; P551-M553 PolarHBondContact O-N 2.94Å; M553-A556 PolarHBondContact O-N 2.7Å; M553-V557 HydrophobicContact CG-CG2 4.22Å; M553-V557 VanDerWaalsContact O-CB 3.31Å; M553-V557 WeakPolarHBondContact O-CB 3Å; M553-V557 VanDerWaalsContact O-CG2 3.23Å; M553-V557 WeakPolarHBondContact O-CG2 3.47Å; M553-V557 PolarHBondContact O-N 2.89Å
554	A	95.1	Very high	90.9	Very high	26 Å²	26	45.6 Å²	45.6	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-47	177.9	0	0	0	0	0	111.6	L332 V550 P551 T558	L332-A554 HydrophobicContact CD1-CB 3.73Å; V550-A554 WeakPolarHBondContact O-CB 3.44Å; V550-A554 PolarHBondContact O-N 3.49Å; P551-A554 PolarHBondContact O-N 3.01Å; A554-T558 WeakPolarHBondContact O-CB 3.38Å; A554-T558 WeakPolarHBondContact O-CG2 3.27Å; A554-T558 PolarHBondContact O-N 3.22Å; A554-T558 PolarHBondContact O-OG1 2.85Å
555	A	96	Very high	91.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-41	179.2	0	0	0	0	0	112.9	G339 V519 A523 P551 T558 S559	G339-A555 WeakPolarHBondContact CA-O 2.94Å; V519-A555 HydrophobicContact CG1-CB 3.38Å; A523-A555 HydrophobicContact CB-CB 4.28Å; P551-A555 WeakPolarHBondContact O-CB 3.29Å; P551-A555 PolarHBondContact O-N 2.95Å; A555-T558 WeakPolarHBondContact CA-OG1 3.38Å; A555-T558 PolarHBondContact O-OG1 3.14Å; A555-S559 WeakPolarHBondContact O-CB 3.39Å; A555-S559 PolarHBondContact O-N 3.41Å
556	A	95.4	Very high	92.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-42.9	178.6	0	0	0	0	0	112.3	V536 L552 M553 K560	V536-A556 HydrophobicContact CG2-CB 4.21Å; L552-A556 VanDerWaalsContact O-CB 3.23Å; L552-A556 WeakPolarHBondContact O-CB 2.99Å; L552-A556 PolarHBondContact O-N 2.85Å; M553-A556 PolarHBondContact O-N 2.7Å; A556-K560 PolarHBondContact O-N 2.69Å
557	V	96.2	Very high	93	Very high	40 Å²	40	46.9 Å²	46.9	24%	0.242	25%	0.252	C	S	.	.	H	α-helix	trans	-68.3	-43.9	178.4	172.1	0	0	0	0	111.1	M553 K560 W561	M553-V557 HydrophobicContact CG-CG2 4.22Å; M553-V557 VanDerWaalsContact O-CB 3.31Å; M553-V557 WeakPolarHBondContact O-CB 3Å; M553-V557 VanDerWaalsContact O-CG2 3.23Å; M553-V557 WeakPolarHBondContact O-CG2 3.47Å; M553-V557 PolarHBondContact O-N 2.89Å; V557-K560 PolarHBondContact O-N 3.49Å; V557-W561 HydrophobicContact CG1-CD2 3.95Å; V557-W561 VanDerWaalsContact CG1-CE2 3.48Å; V557-W561 HydrophobicContact CG1-CE3 4.45Å; V557-W561 HydrophobicContact CG1-CG 4.48Å; V557-W561 HydrophobicContact CG1-CH2 4.14Å; V557-W561 HydrophobicContact CG1-CZ2 3.59Å; V557-W561 PolarHBondContact O-N 3.04Å
558	T	96.8	Very high	92.9	Very high	24 Å²	24	48.8 Å²	48.8	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-42	176.3	50.2	0	0	0	0	111.7	I336 A554 A555 K560 W561 V562	I336-T558 HydrophobicContact CG1-CG2 4.35Å; I336-T558 HydrophobicContact CG2-CG2 4.16Å; A554-T558 WeakPolarHBondContact O-CB 3.38Å; A554-T558 WeakPolarHBondContact O-CG2 3.27Å; A554-T558 PolarHBondContact O-N 3.22Å; A554-T558 PolarHBondContact O-OG1 2.85Å; A555-T558 WeakPolarHBondContact CA-OG1 3.38Å; A555-T558 PolarHBondContact O-OG1 3.14Å; T558-K560 PolarHBondContact O-N 3.12Å; T558-W561 PolarHBondContact O-N 3.27Å; T558-V562 WeakPolarHBondContact O-CG2 3.33Å; T558-V562 PolarHBondContact O-N 3.4Å
559	S	97	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-47.9	172.8	179.3	0	0	0	0	112	G339 G342 G343 A523 G527 A555 V562 A563	G339-S559 WeakPolarHBondContact O-CA 3.26Å; G339-S559 VanDerWaalsContact O-CB 3.24Å; G339-S559 WeakPolarHBondContact O-CB 3.45Å; G342-S559 VanDerWaalsContact C-OG 3.29Å; G343-S559 VanDerWaalsContact CA-O 3.28Å; G343-S559 WeakPolarHBondContact CA-O 3.38Å; G343-S559 WeakPolarHBondContact CA-OG 3.4Å; G343-S559 PolarHBondContact N-OG 3.26Å; G343-S559 VanDerWaalsContact N-OG 3.08Å; A523-S559 VanDerWaalsContact O-CB 3.31Å; A523-S559 WeakPolarHBondContact O-CB 3.21Å; A523-S559 PolarHBondContact O-OG 2.99Å; G527-S559 WeakPolarHBondContact CA-OG 3.39Å; G527-S559 PolarHBondContact N-OG 3.3Å; G527-S559 VanDerWaalsContact N-OG 3.13Å; A555-S559 WeakPolarHBondContact O-CB 3.39Å; A555-S559 PolarHBondContact O-N 3.41Å; S559-V562 PolarHBondContact O-N 3.29Å; S559-A563 WeakPolarHBondContact O-CB 3.39Å; S559-A563 PolarHBondContact O-N 3.34Å
560	K	95.3	Very high	93.1	Very high	58 Å²	58	49.6 Å²	49.6	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-48.4	175.4	177.9	178.5	172.8	-178.2	0	112.2	T532 A556 V557 T558 V562 A563 D564	T532-K560 HydrophobicContact CG2-CB 4.18Å; T532-K560 HydrophobicContact CG2-CD 3.47Å; T532-K560 VanDerWaalsContact CG2-CD 3.47Å; T532-K560 HydrophobicContact CG2-CG 4.45Å; A556-K560 PolarHBondContact O-N 2.69Å; V557-K560 PolarHBondContact O-N 3.49Å; T558-K560 PolarHBondContact O-N 3.12Å; K560-V562 PolarHBondContact O-N 3.16Å; K560-A563 CarbonylContact O-C 3.34Å; K560-A563 PolarHBondContact O-N 2.92Å; K560-D564 VanDerWaalsContact CE-OD2 3.27Å; K560-D564 WeakPolarHBondContact CE-OD2 3.34Å; K560-D564 WeakPolarHBondContact CG-OD2 3.33Å; K560-D564 WeakPolarHBondContact O-CB 3.25Å; K560-D564 VanDerWaalsContact O-CG 3.28Å; K560-D564 PolarHBondContact O-N 3.41Å
561	W	95.8	Very high	93.2	Very high	177 Å²	177	46.1 Å²	46.1	67%	0.67	24%	0.241	S	C	*	.	H	α-helix	trans	-60.4	-44.7	-179.3	-71.5	-11.7	0	0	0	112.8	V557 T558 A563 D564 A565	V557-W561 HydrophobicContact CG1-CD2 3.95Å; V557-W561 VanDerWaalsContact CG1-CE2 3.48Å; V557-W561 HydrophobicContact CG1-CE3 4.45Å; V557-W561 HydrophobicContact CG1-CG 4.48Å; V557-W561 HydrophobicContact CG1-CH2 4.14Å; V557-W561 HydrophobicContact CG1-CZ2 3.59Å; V557-W561 PolarHBondContact O-N 3.04Å; T558-W561 PolarHBondContact O-N 3.27Å; W561-A563 VanDerWaalsContact C-N 3.29Å; W561-A563 PolarHBondContact O-N 3.42Å; W561-D564 PolarHBondContact O-N 3.41Å; W561-A565 PolarHBondContact O-N 3.27Å; W561-A565 VanDerWaalsContact O-N 3.08Å
562	V	96.8	Very high	93.2	Very high	32 Å²	32	46.1 Å²	46.1	19%	0.194	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-44.1	176.2	170.4	0	0	0	0	109.9	V340 L344 T558 S559 K560 A565 F566	V340-V562 HydrophobicContact CB-CG2 4.43Å; V340-V562 HydrophobicContact CG1-CG2 4.4Å; V340-V562 HydrophobicContact CG2-CG2 4.1Å; L344-V562 HydrophobicContact CD2-CG1 4.08Å; L344-V562 HydrophobicContact CG-CG1 4.02Å; T558-V562 WeakPolarHBondContact O-CG2 3.33Å; T558-V562 PolarHBondContact O-N 3.4Å; S559-V562 PolarHBondContact O-N 3.29Å; K560-V562 PolarHBondContact O-N 3.16Å; V562-A565 WeakPolarHBondContact O-CB 3.41Å; V562-A565 PolarHBondContact O-N 3.35Å; V562-F566 HydrophobicContact CG1-CE2 4.31Å; V562-F566 WeakPolarHBondContact O-CD2 3.31Å
563	A	95.3	Very high	93	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-39	-179.3	0	0	0	0	0	111.8	T347 R530 S559 K560 W561 A565 F566 G567	T347-A563 WeakPolarHBondContact OG1-CA 3.32Å; R530-A563 VanDerWaalsContact NE-CB 3.32Å; R530-A563 PolarHBondContact NH1-O 3.24Å; R530-A563 VanDerWaalsContact NH1-O 3.13Å; R530-A563 VanDerWaalsContact NH2-C 3.3Å; R530-A563 PolarHBondContact NH2-O 3.14Å; S559-A563 WeakPolarHBondContact O-CB 3.39Å; S559-A563 PolarHBondContact O-N 3.34Å; K560-A563 CarbonylContact O-C 3.34Å; K560-A563 PolarHBondContact O-N 2.92Å; W561-A563 VanDerWaalsContact C-N 3.29Å; W561-A563 PolarHBondContact O-N 3.42Å; A563-A565 VanDerWaalsContact C-N 3.26Å; A563-A565 PolarHBondContact O-N 2.97Å; A563-F566 PolarHBondContact O-N 2.84Å; A563-F566 VanDerWaalsContact O-N 3.15Å; A563-G567 PolarHBondContact O-N 2.89Å; A563-G567 VanDerWaalsContact O-N 3.13Å
564	D	92.6	Very high	92.9	Very high	51 Å²	51	41.7 Å²	41.7	27%	0.273	22%	0.22	S	C	.	.	H	α-helix	trans	-65.8	-30.5	179.5	-76.7	-11.3	0	0	0	111.1	R530 K560 W561 F566 G567	R530-D564 IonicContact CZ-OD1 3.44Å; R530-D564 VanDerWaalsContact NH1-CA 3.26Å; R530-D564 IonicContact NH1-OD1 3.21Å; R530-D564 PolarHBondContact NH1-OD1 2.8Å; K560-D564 VanDerWaalsContact CE-OD2 3.27Å; K560-D564 WeakPolarHBondContact CE-OD2 3.34Å; K560-D564 WeakPolarHBondContact CG-OD2 3.33Å; K560-D564 WeakPolarHBondContact O-CB 3.25Å; K560-D564 VanDerWaalsContact O-CG 3.28Å; K560-D564 PolarHBondContact O-N 3.41Å; W561-D564 PolarHBondContact O-N 3.41Å; D564-F566 VanDerWaalsContact C-N 3.26Å; D564-F566 PolarHBondContact O-N 2.85Å; D564-G567 WeakPolarHBondContact CA-O 3.34Å; D564-G567 PolarHBondContact O-N 3.37Å
565	A	93.1	Very high	92.6	Very high	85 Å²	85	41.4 Å²	41.4	70%	0.702	21%	0.214	S	C	*	.	H	α-helix	trans	-63.2	-29.3	174.6	0	0	0	0	0	113.2	W561 V562 A563	W561-A565 PolarHBondContact O-N 3.27Å; W561-A565 VanDerWaalsContact O-N 3.08Å; V562-A565 WeakPolarHBondContact O-CB 3.41Å; V562-A565 PolarHBondContact O-N 3.35Å; A563-A565 VanDerWaalsContact C-N 3.26Å; A563-A565 PolarHBondContact O-N 2.97Å
566	F	92.4	Very high	92.3	Very high	102 Å²	102	41.4 Å²	41.4	45%	0.447	21%	0.214	S	C	.	.	H	α-helix	trans	-98	-13.8	177.4	-66	-77.9	0	0	0	114	L344 T347 R351 V562 A563 D564	L344-F566 HydrophobicContact CD2-CD2 4.4Å; L344-F566 HydrophobicContact CD2-CE2 3.57Å; L344-F566 HydrophobicContact CD2-CZ 4Å; T347-F566 HydrophobicContact CG2-CB 3.33Å; T347-F566 HydrophobicContact CG2-CD2 4.35Å; T347-F566 HydrophobicContact CG2-CG 3.94Å; R351-F566 PolarHBondContact NH2-O 3.4Å; V562-F566 HydrophobicContact CG1-CE2 4.31Å; V562-F566 WeakPolarHBondContact O-CD2 3.31Å; A563-F566 PolarHBondContact O-N 2.84Å; A563-F566 VanDerWaalsContact O-N 3.15Å; D564-F566 VanDerWaalsContact C-N 3.26Å; D564-F566 PolarHBondContact O-N 2.85Å
567	G	85.3	Confident	91.8	Very high	32 Å²	32	45 Å²	45	33%	0.33	23%	0.231	S	C	.	.			trans	169.8	136.4	177.5	0	0	0	0	0	110.9	R530 A563 D564	R530-G567 PolarHBondContact NH1-O 3.5Å; R530-G567 PolarHBondContact NH2-O 2.75Å; R530-G567 VanDerWaalsContact NH2-O 3.11Å; A563-G567 PolarHBondContact O-N 2.89Å; A563-G567 VanDerWaalsContact O-N 3.13Å; D564-G567 WeakPolarHBondContact CA-O 3.34Å; D564-G567 PolarHBondContact O-N 3.37Å
568	K	81.5	Confident	91.3	Very high	158 Å²	158	44.5 Å²	44.5	69%	0.687	23%	0.226	S	C	*	.	S	Bend	trans	-79.9	-18.4	-175.2	-62.2	-175.6	178.1	-174.6	0	114.1
569	E	86.6	Confident	90.7	Very high	77 Å²	77	46 Å²	46	36%	0.36	23%	0.234	S	C	.	.			trans	-81.6	133.8	-175.7	-65.3	174.9	-159	0	0	111.4	E573 H577	E569-E573 HydrophobicContact CB-CB 4.36Å; E569-H577 IonicContact OE2-CD2 2.73Å
570	G	91.7	Very high	89.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.01	25%	0.246	C	C	.	.			trans	-79.9	175.6	164.9	0	0	0	0	0	111.7	Y572 E573 A574	G570-Y572 VanDerWaalsContact C-N 3.27Å; G570-Y572 PolarHBondContact O-N 3.41Å; G570-E573 WeakPolarHBondContact CA-OE2 3.47Å; G570-E573 PolarHBondContact N-OE2 3.08Å; G570-E573 VanDerWaalsContact N-OE2 3.12Å; G570-A574 WeakPolarHBondContact O-CB 2.93Å; G570-A574 PolarHBondContact O-N 2.86Å
571	I	93.8	Very high	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-34.6	-178.9	-171.9	60.4	0	0	0	113.4	F349 I350 F460 L468 V528 H575	F349-I571 HydrophobicContact CD1-CD1 4.35Å; F349-I571 HydrophobicContact CE1-CD1 3.8Å; F349-I571 HydrophobicContact CE1-CG1 4.11Å; I350-I571 HydrophobicContact CG1-CB 4.13Å; I350-I571 HydrophobicContact CG1-CD1 4.13Å; F460-I571 HydrophobicContact CD1-CD1 4.28Å; F460-I571 HydrophobicContact CD1-CG1 4.26Å; F460-I571 HydrophobicContact CE1-CD1 3.95Å; F460-I571 HydrophobicContact CE1-CG1 3.58Å; F460-I571 HydrophobicContact CZ-CG1 4.32Å; L468-I571 HydrophobicContact CD2-CB 4.28Å; L468-I571 HydrophobicContact CD2-CG1 3.74Å; L468-I571 HydrophobicContact CD2-CG2 3.94Å; V528-I571 HydrophobicContact CG1-CB 4.18Å; V528-I571 HydrophobicContact CG1-CG2 3.97Å; V528-I571 WeakPolarHBondContact O-CG2 3.47Å; V528-I571 PolarHBondContact O-N 3.46Å; I571-H575 PolarHBondContact O-N 3.47Å; I571-H575 PolarHBondContact O-ND1 2.94Å
572	Y	92.4	Very high	88.2	Confident	1 Å²	1	39 Å²	39	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-75.6	-44	-176.7	-62.9	-59	0	0	0	111.3	I183 P184 F469 T529 M531 G570 A574 H575 I576	I183-Y572 HydrophobicContact CB-CD1 4.01Å; I183-Y572 HydrophobicContact CB-CE1 3.87Å; I183-Y572 HydrophobicContact CD1-CE1 3.96Å; I183-Y572 HydrophobicContact CD1-CE2 4.35Å; I183-Y572 WeakPolarHBondContact CD1-OH 3.42Å; I183-Y572 HydrophobicContact CG1-CE1 4.48Å; I183-Y572 HydrophobicContact CG2-CD1 3.98Å; I183-Y572 HydrophobicContact CG2-CD2 4.17Å; I183-Y572 HydrophobicContact CG2-CE1 4.12Å; I183-Y572 HydrophobicContact CG2-CE2 4.33Å; I183-Y572 HydrophobicContact CG2-CG 3.99Å; P184-Y572 HydrophobicContact CG-CD1 3.83Å; F469-Y572 AromaticContact CE1-CE2 3.97Å; F469-Y572 HydrophobicContact CE1-CE2 3.97Å; F469-Y572 AromaticContact CE1-CZ 3.91Å; F469-Y572 WeakPolarHBondContact CE1-OH 3.5Å; F469-Y572 HydrophobicContact CZ-CE2 4.41Å; F469-Y572 WeakPolarHBondContact CZ-OH 2.96Å; T529-Y572 HydrophobicContact CG2-CE2 4.01Å; M531-Y572 HydrophobicContact CE-CD2 4.06Å; M531-Y572 HydrophobicContact CE-CE2 3.76Å; G570-Y572 VanDerWaalsContact C-N 3.27Å; G570-Y572 PolarHBondContact O-N 3.41Å; Y572-A574 VanDerWaalsContact C-N 3.33Å; Y572-H575 PolarHBondContact O-N 3.49Å; Y572-I576 WeakPolarHBondContact O-CG1 3.08Å; Y572-I576 PolarHBondContact O-N 3.42Å; Y572-I576 VanDerWaalsContact O-N 3.07Å
573	E	90.2	Very high	87.4	Confident	4 Å²	4	38 Å²	38	2%	0.019	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-45.8	172.2	-63.9	76.5	-158.5	0	0	110.7	K187 E569 G570 H575 I576 H577	K187-E573 IonicContact NZ-OE1 3.92Å; K187-E573 PolarHBondContact NZ-OE1 3.36Å; E569-E573 HydrophobicContact CB-CB 4.36Å; G570-E573 WeakPolarHBondContact CA-OE2 3.47Å; G570-E573 PolarHBondContact N-OE2 3.08Å; G570-E573 VanDerWaalsContact N-OE2 3.12Å; E573-H575 PolarHBondContact O-N 3.5Å; E573-I576 WeakPolarHBondContact O-CA 3.34Å; E573-I576 WeakPolarHBondContact O-CB 3.35Å; E573-I576 PolarHBondContact O-N 3Å; E573-H577 PolarHBondContact O-CD2 3.24Å; E573-H577 PolarHBondContact O-N 2.99Å
574	A	91.1	Very high	86.6	Confident	7 Å²	7	38.3 Å²	38.3	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-34.9	179.4	0	0	0	0	0	112.6	I350 I354 G570 Y572 L578	I350-A574 HydrophobicContact CG2-CB 4.14Å; I354-A574 HydrophobicContact CD1-CB 3.64Å; I354-A574 HydrophobicContact CG1-CB 3.83Å; G570-A574 WeakPolarHBondContact O-CB 2.93Å; G570-A574 PolarHBondContact O-N 2.86Å; Y572-A574 VanDerWaalsContact C-N 3.33Å; A574-L578 VanDerWaalsContact O-CB 3.3Å; A574-L578 WeakPolarHBondContact O-CB 3.5Å; A574-L578 PolarHBondContact O-N 2.62Å
575	H	90.3	Very high	85.7	Confident	20 Å²	20	36.6 Å²	36.6	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-35.9	173.6	-83.3	72.2	0	0	0	113.3	P184 N353 F460 I571 Y572 E573 H577 L578 N579	P184-H575 HydrophobicContact CB-CB 4.43Å; P184-H575 HydrophobicContact CG-CB 4.11Å; N353-H575 PolarHBondContact OD1-CE1 3.44Å; F460-H575 AromaticContact CD1-CE1 3.8Å; F460-H575 AromaticContact CE1-CE1 3.31Å; F460-H575 WeakPolarHBondContact CE1-CE1 3.41Å; F460-H575 AromaticContact CE1-ND1 3.88Å; F460-H575 AromaticContact CE1-NE2 3.64Å; I571-H575 PolarHBondContact O-N 3.47Å; I571-H575 PolarHBondContact O-ND1 2.94Å; Y572-H575 PolarHBondContact O-N 3.49Å; E573-H575 PolarHBondContact O-N 3.5Å; H575-H577 VanDerWaalsContact C-N 3.35Å; H575-L578 PolarHBondContact O-N 3Å; H575-N579 WeakPolarHBondContact O-CB 3.33Å; H575-N579 PolarHBondContact O-N 3.3Å; H575-N579 PolarHBondContact O-ND2 3.08Å
576	I	89.2	Confident	84.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-48.1	173.8	-70	171.6	0	0	0	109.7	P184 K187 T188 Y572 E573 N579 G580 Y581 F583	P184-I576 HydrophobicContact CB-CG1 3.81Å; K187-I576 HydrophobicContact CB-CD1 4.24Å; K187-I576 HydrophobicContact CD-CD1 3.97Å; K187-I576 HydrophobicContact CG-CD1 4.14Å; T188-I576 HydrophobicContact CG2-CD1 4Å; T188-I576 HydrophobicContact CG2-CG1 3.9Å; T188-I576 HydrophobicContact CG2-CG2 3.89Å; Y572-I576 WeakPolarHBondContact O-CG1 3.08Å; Y572-I576 PolarHBondContact O-N 3.42Å; Y572-I576 VanDerWaalsContact O-N 3.07Å; E573-I576 WeakPolarHBondContact O-CA 3.34Å; E573-I576 WeakPolarHBondContact O-CB 3.35Å; E573-I576 PolarHBondContact O-N 3Å; I576-N579 PolarHBondContact O-N 2.92Å; I576-G580 PolarHBondContact O-N 3.17Å; I576-G580 VanDerWaalsContact O-N 3.14Å; I576-Y581 PolarHBondContact O-N 3.44Å; I576-F583 HydrophobicContact CD1-CD1 4.23Å; I576-F583 HydrophobicContact CD1-CG 4.25Å; I576-F583 HydrophobicContact CG2-CB 3.37Å; I576-F583 HydrophobicContact CG2-CD1 4.25Å; I576-F583 HydrophobicContact CG2-CG 3.98Å
577	H	85.3	Confident	83.3	Confident	76 Å²	76	36.3 Å²	36.3	35%	0.352	19%	0.189	S	C	.	.	H	α-helix	trans	-66	-41.7	176.9	-69.8	-66.5	0	0	0	112.2	E569 E573 H575 N579 G580	E569-H577 IonicContact OE2-CD2 2.73Å; E573-H577 PolarHBondContact O-CD2 3.24Å; E573-H577 PolarHBondContact O-N 2.99Å; H575-H577 VanDerWaalsContact C-N 3.35Å; H577-N579 PolarHBondContact O-N 2.77Å; H577-G580 PolarHBondContact O-N 2.92Å
578	L	85.6	Confident	82.6	Confident	30 Å²	30	37.5 Å²	37.5	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-30.9	175.5	-177.1	65.6	0	0	0	112.6	I354 C357 R358 K361 A574 H575	I354-L578 HydrophobicContact CD1-CB 4.49Å; I354-L578 HydrophobicContact CD1-CD2 4.21Å; C357-L578 HydrophobicContact CB-CD2 3.44Å; C357-L578 VanDerWaalsContact CB-CD2 3.44Å; R358-L578 HydrophobicContact CB-CD1 4.13Å; K361-L578 HydrophobicContact CD-CG 4.47Å; K361-L578 PolarHBondContact NZ-O 3.22Å; A574-L578 VanDerWaalsContact O-CB 3.3Å; A574-L578 WeakPolarHBondContact O-CB 3.5Å; A574-L578 PolarHBondContact O-N 2.62Å; H575-L578 PolarHBondContact O-N 3Å
579	N	82.9	Confident	81.9	Confident	56 Å²	56	37.9 Å²	37.9	30%	0.299	19%	0.192	S	C	.	.	H	α-helix	trans	-85.2	-9.3	176.5	-73.1	-19.1	0	0	0	113.7	K361 H575 I576 H577 Y581	K361-N579 PolarHBondContact NZ-OD1 2.87Å; H575-N579 WeakPolarHBondContact O-CB 3.33Å; H575-N579 PolarHBondContact O-N 3.3Å; H575-N579 PolarHBondContact O-ND2 3.08Å; I576-N579 PolarHBondContact O-N 2.92Å; H577-N579 PolarHBondContact O-N 2.77Å; N579-Y581 VanDerWaalsContact C-N 3.33Å; N579-Y581 HydrophobicContact CB-CD2 3.72Å; N579-Y581 HydrophobicContact CB-CE1 4.46Å; N579-Y581 HydrophobicContact CB-CE2 3.58Å; N579-Y581 HydrophobicContact CB-CG 4.24Å
580	G	78.2	Confident	81.1	Confident	26 Å²	26	34.9 Å²	34.9	27%	0.268	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	24	-179.5	0	0	0	0	0	113.7	I576 H577	I576-G580 PolarHBondContact O-N 3.17Å; I576-G580 VanDerWaalsContact O-N 3.14Å; H577-G580 PolarHBondContact O-N 2.92Å
581	Y	81.7	Confident	80	Confident	53 Å²	53	40.1 Å²	40.1	21%	0.208	21%	0.21	C	C	.	.			trans	-75	142.6	179.7	-66.1	-41.2	0	0	0	112	E185 T188 F193 I195 I576 N579 F583	E185-Y581 HydrophobicContact CG-CE2 4.04Å; T188-Y581 HydrophobicContact CG2-CD2 3.85Å; T188-Y581 HydrophobicContact CG2-CG 4.07Å; F193-Y581 HydrophobicContact CE1-CD1 4.39Å; I195-Y581 HydrophobicContact CD1-CE1 4.41Å; I576-Y581 PolarHBondContact O-N 3.44Å; N579-Y581 VanDerWaalsContact C-N 3.33Å; N579-Y581 HydrophobicContact CB-CD2 3.72Å; N579-Y581 HydrophobicContact CB-CE1 4.46Å; N579-Y581 HydrophobicContact CB-CE2 3.58Å; N579-Y581 HydrophobicContact CB-CG 4.24Å; Y581-F583 VanDerWaalsContact C-N 3.29Å; Y581-F583 PolarHBondContact O-N 3.1Å
582	P	75.9	Confident	79.3	Confident	7 Å²	7	43.6 Å²	43.6	5%	0.045	23%	0.227	C	C	.	.			trans	-77.9	76.5	-179.1	29.9	-30.7	0	0	0	111.7	F193 K739 L743 F759	F193-P582 HydrophobicContact CD1-CG 4.42Å; F193-P582 HydrophobicContact CD2-CG 3.44Å; F193-P582 VanDerWaalsContact CD2-CG 3.44Å; F193-P582 HydrophobicContact CE1-CG 4.36Å; F193-P582 HydrophobicContact CE2-CG 3.36Å; F193-P582 HydrophobicContact CG-CG 3.97Å; F193-P582 HydrophobicContact CZ-CG 3.81Å; P582-K739 PolarHBondContact O-NZ 3.13Å; P582-L743 HydrophobicContact CB-CD1 3.72Å; P582-F759 HydrophobicContact CB-CE1 3.62Å; P582-F759 HydrophobicContact CB-CZ 3.74Å; P582-F759 HydrophobicContact CG-CE1 3.71Å; P582-F759 HydrophobicContact CG-CZ 4.35Å
583	F	80.4	Confident	78.7	Confident	13 Å²	13	55.3 Å²	55.3	6%	0.057	27%	0.271	C	S	.	.			trans	-105.6	128.2	178.3	-174.5	-110.5	0	0	0	110.4	K187 I576 Y581 D585 L743	K187-F583 HydrophobicContact CD-CE2 4.43Å; K187-F583 HydrophobicContact CD-CZ 4.06Å; K187-F583 HydrophobicContact CG-CE2 3.77Å; K187-F583 HydrophobicContact CG-CZ 3.89Å; I576-F583 HydrophobicContact CD1-CD1 4.23Å; I576-F583 HydrophobicContact CD1-CG 4.25Å; I576-F583 HydrophobicContact CG2-CB 3.37Å; I576-F583 HydrophobicContact CG2-CD1 4.25Å; I576-F583 HydrophobicContact CG2-CG 3.98Å; Y581-F583 VanDerWaalsContact C-N 3.29Å; Y581-F583 PolarHBondContact O-N 3.1Å; F583-D585 HydrophobicContact CD1-CB 4.28Å; F583-D585 HydrophobicContact CE1-CB 3.73Å; F583-L743 WeakPolarHBondContact O-CD2 3.02Å
584	L	78.3	Confident	78.6	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	28%	0.277	C	S	.	.			trans	-109.3	101.4	175.3	-175.5	64.5	0	0	0	106.5	V714 F717 R718 V742 L743 M746	L584-V714 HydrophobicContact CD1-CG1 4.4Å; L584-F717 HydrophobicContact CD2-CB 4.07Å; L584-R718 HydrophobicContact CD2-CG 3.52Å; L584-R718 HydrophobicContact CG-CG 3.77Å; L584-V742 HydrophobicContact CD1-CG1 4.42Å; L584-L743 HydrophobicContact CB-CD2 4.27Å; L584-L743 HydrophobicContact CD1-CD2 4Å; L584-M746 HydrophobicContact CD1-CE 4.15Å; L584-M746 HydrophobicContact CD1-SD 3.47Å; L584-M746 WeakPolarHBondContact CD1-SD 3.38Å
585	D	74.5	Confident	78.7	Confident	15 Å²	15	58.5 Å²	58.5	8%	0.08	29%	0.288	C	S	.	.			trans	-66.9	140	-177.8	-158	-22.1	0	0	0	110.2	F583 K587 R718	F583-D585 HydrophobicContact CD1-CB 4.28Å; F583-D585 HydrophobicContact CE1-CB 3.73Å; D585-K587 VanDerWaalsContact C-N 3.33Å; D585-K587 PolarHBondContact OD1-N 3.04Å; D585-R718 PolarHBondContact O-NE 3.25Å; D585-R718 PolarHBondContact O-NH2 3.35Å
586	V	68.5	Low	78.7	Confident	79 Å²	79	57.6 Å²	57.6	48%	0.479	28%	0.283	S	S	.	.	S	Bend	trans	-73.9	-29.9	172.6	-174	0	0	0	0	110.6	Y284 D588	Y284-V586 HydrophobicContact CD2-CG2 3.54Å; Y284-V586 HydrophobicContact CE2-CG2 3.11Å; Y284-V586 HydrophobicContact CG-CG2 4.44Å; V586-D588 VanDerWaalsContact C-N 3.28Å; V586-D588 PolarHBondContact O-N 3.35Å
587	K	67.1	Low	78.8	Confident	101 Å²	101	59.6 Å²	59.6	44%	0.439	30%	0.295	S	S	.	.	S	Bend	trans	-72.9	-19.2	-174	-62.1	176.6	-179.7	178	0	113.1	E281 D585 E589	E281-K587 IonicContact OE1-NZ 2.99Å; E281-K587 PolarHBondContact OE1-NZ 3.24Å; E281-K587 IonicContact OE2-NZ 2.65Å; D585-K587 VanDerWaalsContact C-N 3.33Å; D585-K587 PolarHBondContact OD1-N 3.04Å; K587-E589 PolarHBondContact O-N 3Å
588	D	68.9	Low	78.9	Confident	58 Å²	58	59.8 Å²	59.8	31%	0.31	30%	0.299	S	S	.	.			trans	-82.4	114	-176.6	-73.3	-26	0	0	0	112.7	V586 R718	V586-D588 VanDerWaalsContact C-N 3.28Å; V586-D588 PolarHBondContact O-N 3.35Å; D588-R718 PolarHBondContact O-NH1 3.45Å; D588-R718 PolarHBondContact O-NH2 3Å
589	E	67.9	Low	79.1	Confident	165 Å²	165	58.6 Å²	58.6	77%	0.771	29%	0.293	S	S	*	.			trans	-75.8	127.9	170.6	-69.3	178.7	175.5	0	0	111.1	K587 T591	K587-E589 PolarHBondContact O-N 3Å; E589-T591 PolarHBondContact O-N 2.94Å
590	F	68.9	Low	79.5	Confident	14 Å²	14	57.1 Å²	57.1	6%	0.061	29%	0.285	C	S	.	.			trans	-84.8	104	175.2	-170.3	-94.6	0	0	0	109.4	H592 T594 M710 E711 V714 H745 M746	F590-H592 HydrophobicContact CD1-CB 4.42Å; F590-H592 WeakPolarHBondContact CD1-O 3.05Å; F590-H592 HydrophobicContact CE1-CB 3.72Å; F590-H592 WeakPolarHBondContact CE1-O 3.08Å; F590-H592 HydrophobicContact CZ-CB 3.77Å; F590-T594 WeakPolarHBondContact CZ-OG1 3.17Å; F590-M710 HydrophobicContact CD1-CB 4.21Å; F590-M710 HydrophobicContact CE1-CB 3.51Å; F590-M710 HydrophobicContact CZ-CB 3.89Å; F590-E711 HydrophobicContact CB-CB 4.49Å; F590-E711 HydrophobicContact CD1-CB 4.19Å; F590-V714 HydrophobicContact CD2-CG2 4.31Å; F590-V714 HydrophobicContact CG-CG2 4.42Å; F590-H745 AromaticContact CZ-CD2 3.93Å; F590-H745 AromaticContact CZ-NE2 3.95Å; F590-M746 HydrophobicContact CD2-CG 4.16Å; F590-M746 HydrophobicContact CE2-CG 4.08Å
591	T	69.8	Low	80.1	Confident	112 Å²	112	59.1 Å²	59.1	69%	0.687	28%	0.284	S	S	*	.			trans	-91.2	-5.1	-172.8	54.2	0	0	0	0	114.3	E589	E589-T591 PolarHBondContact O-N 2.94Å
592	H	77.5	Confident	80.4	Confident	73 Å²	73	57.9 Å²	57.9	34%	0.338	28%	0.283	S	S	.	.			trans	-88.6	147.8	-173.3	-57	-69.9	0	0	0	112.9	F590 T594 M749	F590-H592 HydrophobicContact CD1-CB 4.42Å; F590-H592 WeakPolarHBondContact CD1-O 3.05Å; F590-H592 HydrophobicContact CE1-CB 3.72Å; F590-H592 WeakPolarHBondContact CE1-O 3.08Å; F590-H592 HydrophobicContact CZ-CB 3.77Å; H592-T594 VanDerWaalsContact C-N 3.31Å; H592-T594 PolarHBondContact O-N 3.32Å; H592-M749 HydrophobicContact CB-CE 3.89Å; H592-M749 WeakPolarHBondContact ND1-CE 3.49Å
593	R	81.1	Confident	80.8	Confident	246 Å²	246	62.2 Å²	62.2	93%	0.928	30%	0.298	S	S	*	.			trans	-88.8	20.2	-177.1	-64.6	-175.4	175.5	-176.8	-1.3	114.8
594	T	88.4	Confident	80.6	Confident	24 Å²	24	73.9 Å²	73.9	15%	0.147	34%	0.342	C	S	.	.			trans	-69.2	149.9	-179.3	52.3	0	0	0	0	111.2	F590 H592 M710 H745	F590-T594 WeakPolarHBondContact CZ-OG1 3.17Å; H592-T594 VanDerWaalsContact C-N 3.31Å; H592-T594 PolarHBondContact O-N 3.32Å; T594-M710 VanDerWaalsContact O-CB 3.29Å; T594-M710 WeakPolarHBondContact O-CB 3.32Å; T594-M710 WeakPolarHBondContact O-CG 3.39Å; T594-M710 PolarHBondContact O-N 2.92Å; T594-M710 WeakPolarHBondContact OG1-CB 3.36Å; T594-M710 WeakPolarHBondContact OG1-CG 3.38Å; T594-H745 PolarHBondContact OG1-NE2 3.05Å
595	L	92	Very high	80.4	Confident	55 Å²	55	77.9 Å²	77.9	29%	0.288	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-102.6	163.1	-179.6	-60.2	176.9	0	0	0	111.4	T597 D598	L595-T597 PolarHBondContact O-N 3.32Å; L595-T597 VanDerWaalsContact O-N 3.16Å; L595-D598 PolarHBondContact N-OD2 2.97Å; L595-D598 WeakPolarHBondContact O-CB 3.24Å; L595-D598 PolarHBondContact O-N 3.46Å
596	A	90.9	Very high	80.9	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-53	-35	174.5	0	0	0	0	0	112.6	D598 V599 M600 V704 T708 V713 V727 I737	A596-D598 VanDerWaalsContact C-N 3.29Å; A596-D598 PolarHBondContact O-N 3.39Å; A596-V599 PolarHBondContact O-N 3.4Å; A596-M600 WeakPolarHBondContact O-CB 3.38Å; A596-M600 PolarHBondContact O-N 3.1Å; A596-V704 HydrophobicContact CB-CG2 4.33Å; A596-T708 PolarHBondContact N-O 2.93Å; A596-V713 HydrophobicContact CB-CG2 4.18Å; A596-V727 HydrophobicContact CB-CG2 4.46Å; A596-I737 HydrophobicContact CB-CD1 3.93Å
597	T	90.8	Very high	81.6	Confident	42 Å²	42	81.1 Å²	81.1	26%	0.258	41%	0.407	S	S	.	.	H	α-helix	trans	-63.7	-26.7	177	32.1	0	0	0	0	115	L595 V599 M600 D706	L595-T597 PolarHBondContact O-N 3.32Å; L595-T597 VanDerWaalsContact O-N 3.16Å; T597-V599 VanDerWaalsContact C-N 3.35Å; T597-M600 HydrophobicContact CG2-CE 3.92Å; T597-M600 HydrophobicContact CG2-SD 4.25Å; T597-D706 HydrophobicContact CG2-CB 3.43Å; T597-D706 VanDerWaalsContact CG2-CB 3.43Å; T597-D706 WeakPolarHBondContact CG2-O 3.47Å; T597-D706 PolarHBondContact N-O 3.42Å; T597-D706 PolarHBondContact OG1-O 2.96Å
598	D	88.4	Confident	82.3	Confident	81 Å²	81	81.7 Å²	81.7	43%	0.433	42%	0.421	S	S	.	.	H	α-helix	trans	-79.4	-24.4	-179.2	-57	-38.6	0	0	0	111.8	L595 A596	L595-D598 PolarHBondContact N-OD2 2.97Å; L595-D598 WeakPolarHBondContact O-CB 3.24Å; L595-D598 PolarHBondContact O-N 3.46Å; A596-D598 VanDerWaalsContact C-N 3.29Å; A596-D598 PolarHBondContact O-N 3.39Å
599	V	89.2	Confident	83.2	Confident	4 Å²	4	81 Å²	81	2%	0.024	42%	0.418	C	S	.	.	H	α-helix	trans	-104	-30.9	-173.4	-176.3	0	0	0	0	112.4	A596 T597 M710 D741 H745	A596-V599 PolarHBondContact O-N 3.4Å; T597-V599 VanDerWaalsContact C-N 3.35Å; V599-M710 HydrophobicContact CB-CE 4.16Å; V599-M710 HydrophobicContact CB-SD 3.87Å; V599-M710 HydrophobicContact CG1-CE 4.11Å; V599-M710 HydrophobicContact CG1-SD 4.46Å; V599-M710 HydrophobicContact CG2-CE 3.88Å; V599-M710 HydrophobicContact CG2-CG 3.78Å; V599-M710 HydrophobicContact CG2-SD 3.59Å; V599-M710 VanDerWaalsContact CG2-SD 3.59Å; V599-D741 HydrophobicContact CG1-CB 4.13Å; V599-H745 HydrophobicContact CG1-CB 4.03Å; V599-H745 HydrophobicContact CG2-CB 4.13Å
600	M	91.5	Very high	84.3	Confident	25 Å²	25	74.4 Å²	74.4	12%	0.123	39%	0.389	C	S	.	.	S	Bend	trans	-58.2	151.9	-177.1	74	-179.4	-174.2	0	0	113.5	A596 T597 V727 L734 I737	A596-M600 WeakPolarHBondContact O-CB 3.38Å; A596-M600 PolarHBondContact O-N 3.1Å; T597-M600 HydrophobicContact CG2-CE 3.92Å; T597-M600 HydrophobicContact CG2-SD 4.25Å; M600-V727 HydrophobicContact CB-CB 4.43Å; M600-V727 HydrophobicContact CB-CG2 3.82Å; M600-V727 HydrophobicContact SD-CB 3.74Å; M600-V727 HydrophobicContact SD-CG1 3.61Å; M600-V727 HydrophobicContact SD-CG2 4.12Å; M600-L734 HydrophobicContact CE-CB 3.98Å; M600-L734 HydrophobicContact SD-CB 4.01Å; M600-I737 HydrophobicContact CB-CD1 4.31Å; M600-I737 HydrophobicContact CB-CG1 3.76Å
601	R	89.8	Confident	85.4	Confident	68 Å²	68	74.8 Å²	74.8	26%	0.257	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-111.5	140.2	173	-66.9	-68.7	-174.8	161.5	-6.7	110.2	E606 G735 I736	R601-E606 WeakPolarHBondContact CD-OE2 3.04Å; R601-E606 IonicContact CZ-OE1 2.82Å; R601-E606 IonicContact CZ-OE2 3.24Å; R601-E606 IonicContact NH1-OE1 2.74Å; R601-E606 PolarHBondContact NH1-OE1 2.85Å; R601-E606 IonicContact NH1-OE2 3.42Å; R601-E606 PolarHBondContact NH1-OE2 2.82Å; R601-G735 CarbonylContact O-C 3.45Å; R601-G735 WeakPolarHBondContact O-CA 3.27Å; R601-I736 PolarHBondContact N-O 3.38Å; R601-I736 PolarHBondContact O-N 3.21Å
602	P	88.8	Confident	86.5	Confident	28 Å²	28	69.5 Å²	69.5	18%	0.182	36%	0.36	C	S	.	.	S	Bend	cis	-73	151.3	-3.4	30.7	-35.3	0	0	0	112.8	E606 A607 L609	P602-E606 HydrophobicContact CB-CB 3.82Å; P602-A607 WeakPolarHBondContact CB-O 3.41Å; P602-L609 HydrophobicContact CG-CB 4.48Å
603	R	83.3	Confident	87.2	Confident	97 Å²	97	66 Å²	66	37%	0.366	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-75.9	165	169.5	-69.9	-176.7	170.4	-177.6	-2.2	110.8	G605 E606	R603-G605 PolarHBondContact O-N 3.39Å; R603-E606 HydrophobicContact CB-CG 4.2Å; R603-E606 PolarHBondContact N-OE2 3.25Å; R603-E606 WeakPolarHBondContact O-CB 3.43Å; R603-E606 PolarHBondContact O-N 3.47Å
604	R	77.9	Confident	87.5	Confident	259 Å²	259	56.5 Å²	56.5	98%	0.977	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	116.5	173.5	-67.1	-175.7	-178.5	179.7	2.2	109.7
605	G	74.1	Confident	87.4	Confident	89 Å²	89	59 Å²	59	92%	0.918	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	-2.9	-179	0	0	0	0	0	115.5	R603	R603-G605 PolarHBondContact O-N 3.39Å
606	E	84.6	Confident	87.1	Confident	84 Å²	84	59.9 Å²	59.9	39%	0.393	33%	0.333	S	S	.	.	S	Bend	trans	-85	162.4	169.2	-69.5	176.3	-179.4	0	0	111.2	R601 P602 R603	R601-E606 WeakPolarHBondContact CD-OE2 3.04Å; R601-E606 IonicContact CZ-OE1 2.82Å; R601-E606 IonicContact CZ-OE2 3.24Å; R601-E606 IonicContact NH1-OE1 2.74Å; R601-E606 PolarHBondContact NH1-OE1 2.85Å; R601-E606 IonicContact NH1-OE2 3.42Å; R601-E606 PolarHBondContact NH1-OE2 2.82Å; P602-E606 HydrophobicContact CB-CB 3.82Å; R603-E606 HydrophobicContact CB-CG 4.2Å; R603-E606 PolarHBondContact N-OE2 3.25Å; R603-E606 WeakPolarHBondContact O-CB 3.43Å; R603-E606 PolarHBondContact O-N 3.47Å
607	A	81.9	Confident	87.1	Confident	79 Å²	79	60.7 Å²	60.7	65%	0.653	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-57.4	143	177.7	0	0	0	0	0	111.2	P602	P602-A607 WeakPolarHBondContact CB-O 3.41Å
608	P	83.6	Confident	87.1	Confident	113 Å²	113	60.2 Å²	60.2	73%	0.734	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-60	151.5	-179.4	25.9	-34.3	0	0	0	111.4	S610	P608-S610 PolarHBondContact O-N 2.79Å
609	L	87	Confident	87.2	Confident	44 Å²	44	56.3 Å²	56.3	23%	0.23	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62.7	135	180	-167.7	68.9	0	0	0	110.2	P602 V611 P635 L733 I736	P602-L609 HydrophobicContact CG-CB 4.48Å; L609-V611 PolarHBondContact O-N 3.36Å; L609-V611 VanDerWaalsContact O-N 3.15Å; L609-P635 HydrophobicContact CD2-CG 3.68Å; L609-P635 HydrophobicContact CG-CG 4.46Å; L609-L733 HydrophobicContact CD2-CD2 3.96Å; L609-L733 HydrophobicContact CD2-CG 4.47Å; L609-I736 HydrophobicContact CD1-CG2 3.85Å
610	S	90	Very high	87.3	Confident	25 Å²	25	60.7 Å²	60.7	18%	0.175	33%	0.334	C	S	.	.			trans	-66.7	111.6	170.5	52.8	0	0	0	0	110.2	P608 Y631	P608-S610 PolarHBondContact O-N 2.79Å; S610-Y631 WeakPolarHBondContact OG-CD2 3.28Å; S610-Y631 WeakPolarHBondContact OG-CE2 3.47Å
611	V	92.3	Very high	87.3	Confident	23 Å²	23	62.8 Å²	62.8	14%	0.139	35%	0.345	C	S	.	.			trans	-116.9	151.8	-178.3	-63.7	0	0	0	0	110.6	L609 P635 V637 L733	L609-V611 PolarHBondContact O-N 3.36Å; L609-V611 VanDerWaalsContact O-N 3.15Å; V611-P635 HydrophobicContact CG1-CG 4.09Å; V611-V637 HydrophobicContact CB-CG1 4.44Å; V611-V637 HydrophobicContact CB-CG2 4.01Å; V611-V637 HydrophobicContact CG1-CG1 4.27Å; V611-V637 HydrophobicContact CG2-CG2 3.93Å; V611-L733 HydrophobicContact CG1-CD2 3.97Å
612	L	92.8	Very high	87.4	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.9	166.7	-66.8	171.4	0	0	0	109.3	M617 V622 L625 F634 P635 V636 V637 A649 L654 F676	L612-M617 HydrophobicContact CD2-CE 3.95Å; L612-M617 HydrophobicContact CD2-SD 3.86Å; L612-V622 HydrophobicContact CD2-CG1 4.33Å; L612-V622 HydrophobicContact CD2-CG2 4.03Å; L612-L625 HydrophobicContact CD2-CD2 3.75Å; L612-L625 HydrophobicContact CG-CD2 4.45Å; L612-F634 HydrophobicContact CD1-CB 3.8Å; L612-F634 HydrophobicContact CD1-CD2 4.4Å; L612-F634 HydrophobicContact CD1-CG 4.38Å; L612-F634 HydrophobicContact CG-CB 3.84Å; L612-F634 HydrophobicContact CG-CG 4.4Å; L612-P635 PolarHBondContact N-O 2.89Å; L612-V636 HydrophobicContact CB-CG2 4.09Å; L612-V636 HydrophobicContact CD1-CG2 4.31Å; L612-V636 CarbonylContact O-C 3.45Å; L612-V636 VanDerWaalsContact O-CA 3.29Å; L612-V636 WeakPolarHBondContact O-CA 3.42Å; L612-V637 PolarHBondContact O-N 3.35Å; L612-A649 HydrophobicContact CD1-CB 4.24Å; L612-L654 HydrophobicContact CD1-CD1 3.75Å; L612-L654 HydrophobicContact CD1-CD2 4.17Å; L612-F676 HydrophobicContact CB-CE2 4.35Å; L612-F676 HydrophobicContact CD1-CZ 4.11Å
613	T	92.2	Very high	87.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	156	175.2	62.9	0	0	0	0	111.7	D615 S616 M617 V637 K640 F676	T613-D615 PolarHBondContact O-N 3.02Å; T613-S616 WeakPolarHBondContact CB-OG 3.35Å; T613-S616 VanDerWaalsContact CG2-OG 3.31Å; T613-S616 WeakPolarHBondContact CG2-OG 3.28Å; T613-S616 PolarHBondContact OG1-N 3.38Å; T613-S616 PolarHBondContact OG1-OG 3.11Å; T613-M617 WeakPolarHBondContact OG1-CG 3.4Å; T613-M617 PolarHBondContact OG1-N 3.39Å; T613-V637 CarbonylContact C-O 3.59Å; T613-V637 WeakPolarHBondContact CA-O 3.47Å; T613-K640 HydrophobicContact CG2-CG 3.87Å; T613-F676 WeakPolarHBondContact O-CD2 3.32Å
614	Q	87.9	Confident	88	Confident	46 Å²	46	58.2 Å²	58.2	22%	0.215	33%	0.332	C	S	.	.	S	Bend	trans	-60.7	-40	-178.9	-175.7	175.7	-21.2	0	0	114.1	V637 I646 Y675 F676 T677	Q614-V637 PolarHBondContact N-O 3.36Å; Q614-I646 HydrophobicContact CB-CD1 3.67Å; Q614-I646 HydrophobicContact CG-CD1 3.76Å; Q614-Y675 WeakPolarHBondContact O-CA 3.24Å; Q614-F676 PolarHBondContact O-N 3.03Å; Q614-T677 HydrophobicContact CG-CG2 3.56Å
615	D	85.9	Confident	88.7	Confident	75 Å²	75	47.2 Å²	47.2	40%	0.401	29%	0.293	S	S	.	.	S	Bend	trans	-149.4	0.9	-167	57.3	-9.3	0	0	0	115.2	T613 I673 Y675	T613-D615 PolarHBondContact O-N 3.02Å; D615-I673 WeakPolarHBondContact O-CG2 3.41Å; D615-Y675 HydrophobicContact CB-CD1 3.67Å; D615-Y675 HydrophobicContact CB-CE1 3.54Å
616	S	86.3	Confident	89.5	Confident	74 Å²	74	43.6 Å²	43.6	52%	0.517	25%	0.253	S	S	.	.	S	Bend	trans	-101.7	-10.6	-173.2	78.2	0	0	0	0	116.1	T613	T613-S616 WeakPolarHBondContact CB-OG 3.35Å; T613-S616 VanDerWaalsContact CG2-OG 3.31Å; T613-S616 WeakPolarHBondContact CG2-OG 3.28Å; T613-S616 PolarHBondContact OG1-N 3.38Å; T613-S616 PolarHBondContact OG1-OG 3.11Å
617	M	90.6	Very high	89.8	Confident	18 Å²	18	47.2 Å²	47.2	9%	0.089	27%	0.267	C	S	.	.			trans	-98	139.6	-174.6	-74.7	177	82.8	0	0	112.2	L612 T613 D621 V622 L625 V674	L612-M617 HydrophobicContact CD2-CE 3.95Å; L612-M617 HydrophobicContact CD2-SD 3.86Å; T613-M617 WeakPolarHBondContact OG1-CG 3.4Å; T613-M617 PolarHBondContact OG1-N 3.39Å; M617-D621 HydrophobicContact CB-CB 4.28Å; M617-D621 HydrophobicContact CE-CB 3.85Å; M617-D621 HydrophobicContact CG-CB 4.43Å; M617-V622 HydrophobicContact CB-CG2 4.2Å; M617-V622 HydrophobicContact CE-CG2 4.19Å; M617-L625 HydrophobicContact CE-CD2 4.34Å; M617-V674 PolarHBondContact O-N 3.05Å
618	T	91.6	Very high	90.2	Very high	31 Å²	31	51 Å²	51	19%	0.19	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-83.6	164.5	171.2	66.5	0	0	0	0	111.5	E620 D621 V622 S672	T618-E620 PolarHBondContact O-N 3.32Å; T618-D621 WeakPolarHBondContact CB-OD2 3.17Å; T618-D621 PolarHBondContact N-OD2 2.62Å; T618-D621 PolarHBondContact O-N 3.03Å; T618-D621 PolarHBondContact OG1-N 3.47Å; T618-D621 PolarHBondContact OG1-OD2 3.45Å; T618-V622 WeakPolarHBondContact O-CG2 3.31Å; T618-V622 PolarHBondContact O-N 2.89Å; T618-V622 VanDerWaalsContact O-N 3.12Å; T618-S672 CarbonylContact C-O 3.6Å; T618-S672 WeakPolarHBondContact CA-O 3.28Å
619	V	90.1	Very high	90.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-37.6	173.8	173.8	0	0	0	0	110.8	V622 E623 I658 S670 S672 V674 L691	V619-V622 PolarHBondContact O-N 2.86Å; V619-E623 HydrophobicContact CG1-CG 4.36Å; V619-E623 WeakPolarHBondContact O-CB 3.43Å; V619-E623 WeakPolarHBondContact O-CG 3.48Å; V619-E623 PolarHBondContact O-N 2.96Å; V619-I658 HydrophobicContact CG1-CG2 3.82Å; V619-S670 PolarHBondContact N-O 3.44Å; V619-S672 WeakPolarHBondContact CG2-O 3.46Å; V619-S672 PolarHBondContact N-O 3.05Å; V619-V674 HydrophobicContact CG2-CG2 3.79Å; V619-L691 HydrophobicContact CG2-CB 4.36Å; V619-L691 HydrophobicContact CG2-CD2 3.82Å
620	E	91	Very high	90.4	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.5	-169.5	166.7	-175	0	0	112.5	T618 V622 E623 T624 S670	T618-E620 PolarHBondContact O-N 3.32Å; E620-V622 VanDerWaalsContact C-N 3.28Å; E620-V622 PolarHBondContact O-N 3.16Å; E620-E623 PolarHBondContact O-N 3.2Å; E620-T624 HydrophobicContact CG-CG2 4.4Å; E620-T624 WeakPolarHBondContact O-CB 3.17Å; E620-T624 WeakPolarHBondContact O-CG2 3.33Å; E620-T624 PolarHBondContact O-N 3.19Å; E620-T624 PolarHBondContact O-OG1 3.06Å; E620-S670 PolarHBondContact N-O 3.48Å
621	D	92.4	Very high	90.3	Very high	69 Å²	69	56.4 Å²	56.4	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-38	177.3	-59.3	-42.9	0	0	0	111.7	M617 T618 T624 L625	M617-D621 HydrophobicContact CB-CB 4.28Å; M617-D621 HydrophobicContact CE-CB 3.85Å; M617-D621 HydrophobicContact CG-CB 4.43Å; T618-D621 WeakPolarHBondContact CB-OD2 3.17Å; T618-D621 PolarHBondContact N-OD2 2.62Å; T618-D621 PolarHBondContact O-N 3.03Å; T618-D621 PolarHBondContact OG1-N 3.47Å; T618-D621 PolarHBondContact OG1-OD2 3.45Å; D621-T624 VanDerWaalsContact C-OG1 3.3Å; D621-T624 VanDerWaalsContact CA-OG1 3.27Å; D621-T624 WeakPolarHBondContact CA-OG1 3.49Å; D621-T624 PolarHBondContact O-OG1 2.64Å; D621-L625 VanDerWaalsContact O-CB 3.32Å; D621-L625 WeakPolarHBondContact O-CB 3.29Å; D621-L625 PolarHBondContact O-N 3.43Å
622	V	91.3	Very high	89.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-71.7	-41.5	177.1	179.6	0	0	0	0	110.8	L612 M617 T618 V619 E620 L625 I626 I658 V674	L612-V622 HydrophobicContact CD2-CG1 4.33Å; L612-V622 HydrophobicContact CD2-CG2 4.03Å; M617-V622 HydrophobicContact CB-CG2 4.2Å; M617-V622 HydrophobicContact CE-CG2 4.19Å; T618-V622 WeakPolarHBondContact O-CG2 3.31Å; T618-V622 PolarHBondContact O-N 2.89Å; T618-V622 VanDerWaalsContact O-N 3.12Å; V619-V622 PolarHBondContact O-N 2.86Å; E620-V622 VanDerWaalsContact C-N 3.28Å; E620-V622 PolarHBondContact O-N 3.16Å; V622-L625 PolarHBondContact O-N 3.06Å; V622-I626 HydrophobicContact CG1-CD1 3.83Å; V622-I626 WeakPolarHBondContact O-CB 3.26Å; V622-I626 WeakPolarHBondContact O-CD1 3.04Å; V622-I626 WeakPolarHBondContact O-CG1 3.42Å; V622-I626 PolarHBondContact O-N 3.44Å; V622-I658 HydrophobicContact CB-CD1 4.45Å; V622-I658 HydrophobicContact CG1-CD1 3.85Å; V622-V674 HydrophobicContact CG2-CG2 4.18Å
623	E	91.8	Very high	89.6	Confident	43 Å²	43	59.1 Å²	59.1	20%	0.201	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-39	176.9	-76	-174.9	154	0	0	112.5	V619 E620 I626 K627 I658 R662	V619-E623 HydrophobicContact CG1-CG 4.36Å; V619-E623 WeakPolarHBondContact O-CB 3.43Å; V619-E623 WeakPolarHBondContact O-CG 3.48Å; V619-E623 PolarHBondContact O-N 2.96Å; E620-E623 PolarHBondContact O-N 3.2Å; E623-I626 PolarHBondContact O-N 2.77Å; E623-K627 VanDerWaalsContact O-CG 3.27Å; E623-K627 WeakPolarHBondContact O-CG 3.38Å; E623-K627 PolarHBondContact O-N 3.02Å; E623-I658 HydrophobicContact CG-CG2 4.5Å; E623-R662 VanDerWaalsContact CD-NH2 3.31Å; E623-R662 IonicContact OE1-CZ 3.81Å; E623-R662 VanDerWaalsContact OE1-CZ 3.28Å; E623-R662 IonicContact OE1-NH1 3.49Å; E623-R662 PolarHBondContact OE1-NH1 3.44Å; E623-R662 VanDerWaalsContact OE1-NH1 3.13Å; E623-R662 IonicContact OE1-NH2 2.8Å; E623-R662 PolarHBondContact OE1-NH2 3.43Å; E623-R662 IonicContact OE2-CZ 3.51Å; E623-R662 IonicContact OE2-NH1 3.67Å; E623-R662 IonicContact OE2-NH2 3.83Å; E623-R662 PolarHBondContact OE2-NH2 2.96Å
624	T	93.3	Very high	89.6	Confident	54 Å²	54	59.1 Å²	59.1	33%	0.331	30%	0.3	S	S	.	.	H	α-helix	trans	-66.2	-46.8	175.2	48.1	0	0	0	0	110.9	E620 D621 I626 K627 E628	E620-T624 HydrophobicContact CG-CG2 4.4Å; E620-T624 WeakPolarHBondContact O-CB 3.17Å; E620-T624 WeakPolarHBondContact O-CG2 3.33Å; E620-T624 PolarHBondContact O-N 3.19Å; E620-T624 PolarHBondContact O-OG1 3.06Å; D621-T624 VanDerWaalsContact C-OG1 3.3Å; D621-T624 VanDerWaalsContact CA-OG1 3.27Å; D621-T624 WeakPolarHBondContact CA-OG1 3.49Å; D621-T624 PolarHBondContact O-OG1 2.64Å; T624-I626 VanDerWaalsContact C-N 3.27Å; T624-I626 PolarHBondContact O-N 2.03Å; T624-K627 PolarHBondContact O-N 3.32Å; T624-E628 WeakPolarHBondContact O-CG 3.28Å; T624-E628 PolarHBondContact O-N 3.05Å
625	L	91.6	Very high	89.9	Confident	28 Å²	28	57 Å²	57	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-41.9	174.9	-175.3	67.7	0	0	0	112.2	L612 M617 D621 V622 K627 T629 F634	L612-L625 HydrophobicContact CD2-CD2 3.75Å; L612-L625 HydrophobicContact CG-CD2 4.45Å; M617-L625 HydrophobicContact CE-CD2 4.34Å; D621-L625 VanDerWaalsContact O-CB 3.32Å; D621-L625 WeakPolarHBondContact O-CB 3.29Å; D621-L625 PolarHBondContact O-N 3.43Å; V622-L625 PolarHBondContact O-N 3.06Å; L625-K627 VanDerWaalsContact C-N 3.32Å; L625-K627 PolarHBondContact O-N 3.32Å; L625-T629 HydrophobicContact CD1-CG2 4.16Å; L625-T629 WeakPolarHBondContact O-CB 3.26Å; L625-T629 PolarHBondContact O-N 2.98Å; L625-T629 PolarHBondContact O-OG1 3.01Å; L625-F634 HydrophobicContact CD2-CD1 4.01Å; L625-F634 HydrophobicContact CD2-CE1 4.04Å; L625-F634 HydrophobicContact CD2-CG 4.48Å; L625-F634 HydrophobicContact CG-CE1 4.05Å; L625-F634 HydrophobicContact CG-CZ 4.41Å
626	I	91.3	Very high	90.3	Very high	14 Å²	14	53.5 Å²	53.5	7%	0.072	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-30.9	177.1	-71.5	168.9	0	0	0	111.7	V622 E623 T624 F634 R651 L654 I655	V622-I626 HydrophobicContact CG1-CD1 3.83Å; V622-I626 WeakPolarHBondContact O-CB 3.26Å; V622-I626 WeakPolarHBondContact O-CD1 3.04Å; V622-I626 WeakPolarHBondContact O-CG1 3.42Å; V622-I626 PolarHBondContact O-N 3.44Å; E623-I626 PolarHBondContact O-N 2.77Å; T624-I626 VanDerWaalsContact C-N 3.27Å; T624-I626 PolarHBondContact O-N 2.03Å; I626-F634 HydrophobicContact CG1-CE2 4.16Å; I626-R651 HydrophobicContact CG2-CG 4.18Å; I626-R651 VanDerWaalsContact O-CZ 3.26Å; I626-R651 PolarHBondContact O-NH2 3.37Å; I626-L654 HydrophobicContact CD1-CB 3.99Å; I626-I655 HydrophobicContact CD1-CG1 4.19Å; I626-I655 HydrophobicContact CG2-CD1 3.87Å; I626-I655 HydrophobicContact CG2-CG1 3.89Å
627	K	90.7	Very high	90.6	Very high	160 Å²	160	50 Å²	50	70%	0.696	25%	0.247	S	C	*	.	H	α-helix	trans	-79.4	-36.4	178.1	-76.2	169.7	-177.1	171.8	0	112.6	E623 T624 L625	E623-K627 VanDerWaalsContact O-CG 3.27Å; E623-K627 WeakPolarHBondContact O-CG 3.38Å; E623-K627 PolarHBondContact O-N 3.02Å; T624-K627 PolarHBondContact O-N 3.32Å; L625-K627 VanDerWaalsContact C-N 3.32Å; L625-K627 PolarHBondContact O-N 3.32Å
628	E	91.2	Very high	90.7	Very high	159 Å²	159	51.7 Å²	51.7	74%	0.743	26%	0.258	S	S	*	.	H	α-helix	trans	-78.7	-24.2	-177.2	-71.2	-179.7	175.4	0	0	113.3	T624	T624-E628 WeakPolarHBondContact O-CG 3.28Å; T624-E628 PolarHBondContact O-N 3.05Å
629	T	89	Confident	90.6	Very high	20 Å²	20	51.9 Å²	51.9	12%	0.123	26%	0.261	C	S	.	.			trans	-112.7	147	-175.1	65.1	0	0	0	0	112.7	L625 Y631 F634 R651	L625-T629 HydrophobicContact CD1-CG2 4.16Å; L625-T629 WeakPolarHBondContact O-CB 3.26Å; L625-T629 PolarHBondContact O-N 2.98Å; L625-T629 PolarHBondContact O-OG1 3.01Å; T629-Y631 HydrophobicContact CG2-CD2 3.94Å; T629-Y631 HydrophobicContact CG2-CE2 3.97Å; T629-F634 WeakPolarHBondContact OG1-CE1 3.39Å; T629-F634 VanDerWaalsContact OG1-CZ 3.32Å; T629-F634 WeakPolarHBondContact OG1-CZ 3.14Å; T629-R651 PolarHBondContact O-NH1 3.44Å; T629-R651 PolarHBondContact O-NH2 2.79Å; T629-R651 VanDerWaalsContact O-NH2 3.12Å
630	D	85.5	Confident	90.5	Very high	142 Å²	142	58.4 Å²	58.4	76%	0.759	29%	0.289	S	S	*	.			trans	-95.4	9.6	174	-68.8	-30.9	0	0	0	113.1	R651	D630-R651 VanDerWaalsContact C-NH1 3.34Å; D630-R651 VanDerWaalsContact CA-NH1 3.32Å
631	Y	86.9	Confident	90.3	Very high	133 Å²	133	61 Å²	61	52%	0.522	31%	0.306	S	S	.	.			trans	-70.3	150.3	-178.4	-55	-45.9	0	0	0	112.1	S610 T629 F634 R651	S610-Y631 WeakPolarHBondContact OG-CD2 3.28Å; S610-Y631 WeakPolarHBondContact OG-CE2 3.47Å; T629-Y631 HydrophobicContact CG2-CD2 3.94Å; T629-Y631 HydrophobicContact CG2-CE2 3.97Å; Y631-F634 HydrophobicContact CD2-CE1 4.17Å; Y631-R651 WeakPolarHBondContact O-CD 3.21Å; Y631-R651 PolarHBondContact O-NH1 3.32Å
632	N	82.9	Confident	90.2	Very high	69 Å²	69	59.6 Å²	59.6	37%	0.369	30%	0.302	S	S	.	.	S	Bend	trans	-91.3	-3.9	-177.3	-75.1	-64.2	0	0	0	113.9	R651 R723	N632-R651 WeakPolarHBondContact O-CB 3.44Å; N632-R651 PolarHBondContact O-N 3.34Å; N632-R723 VanDerWaalsContact CB-NH2 3.25Å; N632-R723 PolarHBondContact ND2-NH2 3.13Å; N632-R723 VanDerWaalsContact ND2-NH2 3.14Å
633	G	88.8	Confident	90.1	Very high	11 Å²	11	62.2 Å²	62.2	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	168.7	176.4	0	0	0	0	0	111.4	F648 A649	G633-F648 VanDerWaalsContact CA-CZ 3.49Å; G633-A649 CarbonylContact C-O 3.54Å; G633-A649 WeakPolarHBondContact CA-O 3.33Å
634	F	92.6	Very high	90.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.8	-170	-53.4	-84.7	0	0	0	110	L612 L625 I626 T629 Y631 A649 R651 L654	L612-F634 HydrophobicContact CD1-CB 3.8Å; L612-F634 HydrophobicContact CD1-CD2 4.4Å; L612-F634 HydrophobicContact CD1-CG 4.38Å; L612-F634 HydrophobicContact CG-CB 3.84Å; L612-F634 HydrophobicContact CG-CG 4.4Å; L625-F634 HydrophobicContact CD2-CD1 4.01Å; L625-F634 HydrophobicContact CD2-CE1 4.04Å; L625-F634 HydrophobicContact CD2-CG 4.48Å; L625-F634 HydrophobicContact CG-CE1 4.05Å; L625-F634 HydrophobicContact CG-CZ 4.41Å; I626-F634 HydrophobicContact CG1-CE2 4.16Å; T629-F634 WeakPolarHBondContact OG1-CE1 3.39Å; T629-F634 VanDerWaalsContact OG1-CZ 3.32Å; T629-F634 WeakPolarHBondContact OG1-CZ 3.14Å; Y631-F634 HydrophobicContact CD2-CE1 4.17Å; F634-A649 PolarHBondContact N-O 2.88Å; F634-A649 PolarHBondContact O-N 3.37Å; F634-R651 HydrophobicContact CE2-CB 4.2Å; F634-L654 HydrophobicContact CD2-CD1 3.86Å; F634-L654 HydrophobicContact CE2-CD1 4.41Å
635	P	94	Very high	90.2	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.019	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.4	167.9	27.5	-29	0	0	0	110.3	L609 V611 L612 L645 F648 L726 L733	L609-P635 HydrophobicContact CD2-CG 3.68Å; L609-P635 HydrophobicContact CG-CG 4.46Å; V611-P635 HydrophobicContact CG1-CG 4.09Å; L612-P635 PolarHBondContact N-O 2.89Å; P635-L645 HydrophobicContact CB-CD1 4.1Å; P635-F648 HydrophobicContact CB-CD2 4.23Å; P635-L726 HydrophobicContact CB-CD1 4.44Å; P635-L726 HydrophobicContact CB-CD2 4.31Å; P635-L733 HydrophobicContact CB-CD2 3.58Å; P635-L733 HydrophobicContact CG-CD2 3.55Å
636	V	93.3	Very high	90.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125	177.8	-173.2	0	0	0	0	108.7	L612 I646 G647 A649 F676 L697	L612-V636 HydrophobicContact CB-CG2 4.09Å; L612-V636 HydrophobicContact CD1-CG2 4.31Å; L612-V636 CarbonylContact O-C 3.45Å; L612-V636 VanDerWaalsContact O-CA 3.29Å; L612-V636 WeakPolarHBondContact O-CA 3.42Å; V636-I646 PolarHBondContact O-N 3Å; V636-G647 PolarHBondContact N-O 3.44Å; V636-G647 PolarHBondContact O-N 3.08Å; V636-A649 HydrophobicContact CG2-CB 4.02Å; V636-F676 HydrophobicContact CG1-CB 4.13Å; V636-F676 HydrophobicContact CG1-CD2 3.86Å; V636-F676 HydrophobicContact CG1-CE2 4.41Å; V636-F676 HydrophobicContact CG1-CG 3.94Å; V636-L697 HydrophobicContact CB-CD1 3.62Å; V636-L697 HydrophobicContact CG1-CD1 4.23Å; V636-L697 HydrophobicContact CG2-CD1 3.19Å
637	V	93.8	Very high	90.2	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	157.9	-178.8	-61	0	0	0	0	111.3	V611 L612 T613 Q614 R644 L733	V611-V637 HydrophobicContact CB-CG1 4.44Å; V611-V637 HydrophobicContact CB-CG2 4.01Å; V611-V637 HydrophobicContact CG1-CG1 4.27Å; V611-V637 HydrophobicContact CG2-CG2 3.93Å; L612-V637 PolarHBondContact O-N 3.35Å; T613-V637 CarbonylContact C-O 3.59Å; T613-V637 WeakPolarHBondContact CA-O 3.47Å; Q614-V637 PolarHBondContact N-O 3.36Å; V637-R644 CarbonylContact C-O 3.49Å; V637-R644 WeakPolarHBondContact CA-O 3.3Å; V637-R644 WeakPolarHBondContact CB-O 3.33Å; V637-L733 HydrophobicContact CG1-CB 4.35Å; V637-L733 HydrophobicContact CG1-CD2 3.94Å
638	V	91.8	Very high	90.2	Very high	54 Å²	54	59.8 Å²	59.8	33%	0.327	30%	0.295	S	S	.	.	S	Bend	trans	-58.4	-56.2	177	177.8	0	0	0	0	110.7	R644 I646	V638-R644 HydrophobicContact CB-CB 4.33Å; V638-R644 HydrophobicContact CG2-CB 3.85Å; V638-R644 PolarHBondContact N-O 3.29Å; V638-I646 HydrophobicContact CB-CD1 4.42Å; V638-I646 HydrophobicContact CG2-CD1 3.82Å; V638-I646 HydrophobicContact CG2-CG1 3.79Å
639	S	90.2	Very high	90.1	Very high	36 Å²	36	52.2 Å²	52.2	25%	0.252	26%	0.26	S	S	.	.			trans	-149.4	163.1	176.8	67.7	0	0	0	0	110.7	D641 S642 E643	S639-D641 PolarHBondContact O-N 3.2Å; S639-S642 PolarHBondContact N-OG 3.23Å; S639-S642 PolarHBondContact O-N 3.17Å; S639-S642 WeakPolarHBondContact OG-CB 3.36Å; S639-S642 PolarHBondContact OG-N 3.18Å; S639-S642 VanDerWaalsContact OG-N 3.16Å; S639-S642 PolarHBondContact OG-OG 3.37Å; S639-E643 WeakPolarHBondContact O-CA 3.01Å; S639-E643 PolarHBondContact O-N 2.88Å
640	K	87.1	Confident	90	Very high	136 Å²	136	53 Å²	53	59%	0.591	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.7	175.2	-70.3	-175.4	179.3	176.7	0	112.9	T613 E643	T613-K640 HydrophobicContact CG2-CG 3.87Å; K640-E643 WeakPolarHBondContact O-CG 3.25Å
641	D	87.6	Confident	90.2	Very high	150 Å²	150	48.8 Å²	48.8	80%	0.802	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-40.2	179.7	-52.2	-51.3	0	0	0	112.5	S639	S639-D641 PolarHBondContact O-N 3.2Å
642	S	89.1	Confident	90	Very high	39 Å²	39	46.8 Å²	46.8	27%	0.273	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-29.8	-176.5	65.8	0	0	0	0	113	S639 R644	S639-S642 PolarHBondContact N-OG 3.23Å; S639-S642 PolarHBondContact O-N 3.17Å; S639-S642 WeakPolarHBondContact OG-CB 3.36Å; S639-S642 PolarHBondContact OG-N 3.18Å; S639-S642 VanDerWaalsContact OG-N 3.16Å; S639-S642 PolarHBondContact OG-OG 3.37Å; S642-R644 PolarHBondContact O-N 3.18Å
643	E	89.4	Confident	90	Very high	55 Å²	55	44.7 Å²	44.7	26%	0.257	22%	0.215	S	C	.	.			trans	47.5	26.9	-176.9	-61.2	178.3	147.5	0	0	113.6	S639 K640 L645 R732 L733	S639-E643 WeakPolarHBondContact O-CA 3.01Å; S639-E643 PolarHBondContact O-N 2.88Å; K640-E643 WeakPolarHBondContact O-CG 3.25Å; E643-L645 PolarHBondContact O-N 2.93Å; E643-R732 HydrophobicContact CB-CG 3.86Å; E643-R732 WeakPolarHBondContact O-CA 3.5Å; E643-R732 IonicContact OE2-CZ 3.19Å; E643-R732 IonicContact OE2-NE 2.82Å; E643-R732 PolarHBondContact OE2-NE 2.99Å; E643-R732 IonicContact OE2-NH2 2.71Å; E643-R732 PolarHBondContact OE2-NH2 3.12Å; E643-L733 WeakPolarHBondContact O-CB 3.21Å; E643-L733 PolarHBondContact O-N 3Å
644	R	93.4	Very high	90	Very high	162 Å²	162	44.2 Å²	44.2	61%	0.611	21%	0.21	S	C	*	.	B	Isolated β-bridge	trans	-73.3	125.7	178	-76.4	-174.8	179.7	163.6	1.2	109.9	V637 V638 S642 G731	V637-R644 CarbonylContact C-O 3.49Å; V637-R644 WeakPolarHBondContact CA-O 3.3Å; V637-R644 WeakPolarHBondContact CB-O 3.33Å; V638-R644 HydrophobicContact CB-CB 4.33Å; V638-R644 HydrophobicContact CG2-CB 3.85Å; V638-R644 PolarHBondContact N-O 3.29Å; S642-R644 PolarHBondContact O-N 3.18Å; R644-G731 WeakPolarHBondContact CA-O 3.44Å
645	L	93.6	Very high	89.8	Confident	38 Å²	38	48 Å²	48	20%	0.199	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.4	-176.8	-179.5	67.2	0	0	0	111.4	P635 E643 G647 P701 T703 L726 T728 G731 L733	P635-L645 HydrophobicContact CB-CD1 4.1Å; E643-L645 PolarHBondContact O-N 2.93Å; L645-G647 WeakPolarHBondContact CD1-O 3.45Å; L645-P701 HydrophobicContact CD2-CG 4.15Å; L645-T703 HydrophobicContact CD2-CG2 3.51Å; L645-L726 HydrophobicContact CD1-CD1 3.68Å; L645-L726 HydrophobicContact CD2-CB 4.28Å; L645-L726 HydrophobicContact CD2-CD1 3.6Å; L645-L726 HydrophobicContact CG-CD1 4.28Å; L645-T728 HydrophobicContact CD2-CG2 3.87Å; L645-G731 PolarHBondContact N-O 3.45Å; L645-L733 HydrophobicContact CD1-CD1 4.47Å
646	I	91.3	Very high	89.4	Confident	40 Å²	40	49.8 Å²	49.8	21%	0.205	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-43.2	173.1	-55.6	172.7	0	0	0	110.3	Q614 V636 V638 L697	Q614-I646 HydrophobicContact CB-CD1 3.67Å; Q614-I646 HydrophobicContact CG-CD1 3.76Å; V636-I646 PolarHBondContact O-N 3Å; V638-I646 HydrophobicContact CB-CD1 4.42Å; V638-I646 HydrophobicContact CG2-CD1 3.82Å; V638-I646 HydrophobicContact CG2-CG1 3.79Å; I646-L697 HydrophobicContact CG2-CD2 3.86Å
647	G	91.1	Very high	89.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	-164	-176.6	0	0	0	0	0	113.2	V636 L645 N698	V636-G647 PolarHBondContact N-O 3.44Å; V636-G647 PolarHBondContact O-N 3.08Å; L645-G647 WeakPolarHBondContact CD1-O 3.45Å; G647-N698 CarbonylContact C-O 3.58Å; G647-N698 WeakPolarHBondContact CA-O 3.21Å
648	F	90.9	Very high	88.8	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.8	-179.9	-169.6	-87.2	0	0	0	110.9	G633 P635 Q650 N698 P701 Q724 L726 I736	G633-F648 VanDerWaalsContact CA-CZ 3.49Å; P635-F648 HydrophobicContact CB-CD2 4.23Å; F648-Q650 HydrophobicContact CE1-CG 4.38Å; F648-N698 PolarHBondContact N-O 3.06Å; F648-N698 WeakPolarHBondContact O-CB 3.37Å; F648-N698 PolarHBondContact O-N 3.2Å; F648-P701 HydrophobicContact CB-CB 3.94Å; F648-P701 HydrophobicContact CB-CG 4.44Å; F648-Q724 VanDerWaalsContact CD1-NE2 3.3Å; F648-L726 HydrophobicContact CD2-CD1 4.37Å; F648-L726 HydrophobicContact CD2-CD2 4.38Å; F648-I736 HydrophobicContact CE2-CD1 4.23Å
649	A	90.2	Very high	88.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.3	179	0	0	0	0	0	110.7	L612 G633 F634 V636 L654 L697	L612-A649 HydrophobicContact CD1-CB 4.24Å; G633-A649 CarbonylContact C-O 3.54Å; G633-A649 WeakPolarHBondContact CA-O 3.33Å; F634-A649 PolarHBondContact N-O 2.88Å; F634-A649 PolarHBondContact O-N 3.37Å; V636-A649 HydrophobicContact CG2-CB 4.02Å; A649-L654 HydrophobicContact CB-CD1 3.94Å; A649-L654 HydrophobicContact CB-CD2 4.3Å; A649-L654 HydrophobicContact CB-CG 4.16Å; A649-L697 HydrophobicContact CB-CD1 4.4Å
650	Q	87.4	Confident	88.3	Confident	38 Å²	38	53.9 Å²	53.9	18%	0.178	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.1	178.1	-57.7	-166.7	-1.2	0	0	111.3	F648 R652 E653 L654	F648-Q650 HydrophobicContact CE1-CG 4.38Å; Q650-R652 VanDerWaalsContact C-N 3.34Å; Q650-R652 PolarHBondContact O-N 3.49Å; Q650-E653 HydrophobicContact CB-CB 4.4Å; Q650-E653 HydrophobicContact CB-CG 4.17Å; Q650-E653 PolarHBondContact O-N 3.49Å; Q650-L654 WeakPolarHBondContact O-CG 3.45Å; Q650-L654 PolarHBondContact O-N 2.95Å
651	R	88.4	Confident	88.2	Confident	53 Å²	53	47.9 Å²	47.9	20%	0.2	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-45.4	-179	176.6	170.9	177.8	177.5	7.3	112.4	I626 T629 D630 Y631 N632 F634 E653 L654 I655	I626-R651 HydrophobicContact CG2-CG 4.18Å; I626-R651 VanDerWaalsContact O-CZ 3.26Å; I626-R651 PolarHBondContact O-NH2 3.37Å; T629-R651 PolarHBondContact O-NH1 3.44Å; T629-R651 PolarHBondContact O-NH2 2.79Å; T629-R651 VanDerWaalsContact O-NH2 3.12Å; D630-R651 VanDerWaalsContact C-NH1 3.34Å; D630-R651 VanDerWaalsContact CA-NH1 3.32Å; Y631-R651 WeakPolarHBondContact O-CD 3.21Å; Y631-R651 PolarHBondContact O-NH1 3.32Å; N632-R651 WeakPolarHBondContact O-CB 3.44Å; N632-R651 PolarHBondContact O-N 3.34Å; F634-R651 HydrophobicContact CE2-CB 4.2Å; R651-E653 VanDerWaalsContact C-N 3.31Å; R651-E653 PolarHBondContact O-N 3.26Å; R651-L654 WeakPolarHBondContact O-CB 3.49Å; R651-L654 PolarHBondContact O-N 2.99Å; R651-I655 HydrophobicContact CG-CD1 3.8Å; R651-I655 HydrophobicContact CG-CG1 4.43Å; R651-I655 VanDerWaalsContact O-CG1 3.31Å; R651-I655 WeakPolarHBondContact O-CG1 3.43Å; R651-I655 PolarHBondContact O-N 3.39Å
652	R	83.1	Confident	88	Confident	91 Å²	91	45.5 Å²	45.5	34%	0.343	21%	0.207	S	C	.	.	H	α-helix	trans	-61.9	-39.4	179.7	-176	177.3	179.2	159.6	-2.7	112.4	D23 T26 Q650 L656	D23-R652 PolarHBondContact O-NH2 3.47Å; T26-R652 PolarHBondContact O-NH1 3.23Å; T26-R652 PolarHBondContact OG1-NH2 2.99Å; T26-R652 VanDerWaalsContact OG1-NH2 3.08Å; Q650-R652 VanDerWaalsContact C-N 3.34Å; Q650-R652 PolarHBondContact O-N 3.49Å; R652-L656 WeakPolarHBondContact O-CB 3.27Å; R652-L656 PolarHBondContact O-N 2.92Å
653	E	83.6	Confident	87.7	Confident	25 Å²	25	50 Å²	50	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-39.6	179.2	-66.5	175.7	161.1	0	0	111.4	R37 Q650 R651 L656 A657 I696	R37-E653 IonicContact CZ-OE1 3.28Å; R37-E653 IonicContact NH1-OE1 2.97Å; R37-E653 PolarHBondContact NH1-OE1 3.06Å; R37-E653 IonicContact NH2-OE1 3.87Å; R37-E653 PolarHBondContact NH2-OE1 3.39Å; Q650-E653 HydrophobicContact CB-CB 4.4Å; Q650-E653 HydrophobicContact CB-CG 4.17Å; Q650-E653 PolarHBondContact O-N 3.49Å; R651-E653 VanDerWaalsContact C-N 3.31Å; R651-E653 PolarHBondContact O-N 3.26Å; E653-L656 PolarHBondContact O-N 3.3Å; E653-A657 WeakPolarHBondContact O-CB 3.36Å; E653-A657 PolarHBondContact O-N 3.09Å; E653-I696 HydrophobicContact CB-CB 4.25Å; E653-I696 HydrophobicContact CB-CD1 4.49Å; E653-I696 HydrophobicContact CB-CG2 4.43Å
654	L	88.2	Confident	87.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-51.6	173.1	-72.9	159.7	0	0	0	111.4	L612 I626 F634 A649 Q650 R651 L656 A657 I658 F676 L693 I696	L612-L654 HydrophobicContact CD1-CD1 3.75Å; L612-L654 HydrophobicContact CD1-CD2 4.17Å; I626-L654 HydrophobicContact CD1-CB 3.99Å; F634-L654 HydrophobicContact CD2-CD1 3.86Å; F634-L654 HydrophobicContact CE2-CD1 4.41Å; A649-L654 HydrophobicContact CB-CD1 3.94Å; A649-L654 HydrophobicContact CB-CD2 4.3Å; A649-L654 HydrophobicContact CB-CG 4.16Å; Q650-L654 WeakPolarHBondContact O-CG 3.45Å; Q650-L654 PolarHBondContact O-N 2.95Å; R651-L654 WeakPolarHBondContact O-CB 3.49Å; R651-L654 PolarHBondContact O-N 2.99Å; L654-L656 VanDerWaalsContact C-N 3.32Å; L654-L656 PolarHBondContact O-N 3.3Å; L654-A657 PolarHBondContact O-N 3.06Å; L654-I658 WeakPolarHBondContact O-CB 3.29Å; L654-I658 VanDerWaalsContact O-CG1 3.25Å; L654-I658 WeakPolarHBondContact O-CG1 3.45Å; L654-I658 PolarHBondContact O-N 3.35Å; L654-F676 HydrophobicContact CD2-CE1 4.31Å; L654-F676 HydrophobicContact CD2-CZ 4.08Å; L654-L693 HydrophobicContact CD2-CD1 4.03Å; L654-I696 HydrophobicContact CD2-CD1 3.65Å; L654-I696 HydrophobicContact CG-CD1 3.99Å
655	I	88.9	Confident	86.3	Confident	81 Å²	81	51.8 Å²	51.8	42%	0.415	23%	0.232	S	C	.	.	H	α-helix	trans	-57.8	-46.8	179.5	-67.4	167.2	0	0	0	110.7	I626 R651 K659	I626-I655 HydrophobicContact CD1-CG1 4.19Å; I626-I655 HydrophobicContact CG2-CD1 3.87Å; I626-I655 HydrophobicContact CG2-CG1 3.89Å; R651-I655 HydrophobicContact CG-CD1 3.8Å; R651-I655 HydrophobicContact CG-CG1 4.43Å; R651-I655 VanDerWaalsContact O-CG1 3.31Å; R651-I655 WeakPolarHBondContact O-CG1 3.43Å; R651-I655 PolarHBondContact O-N 3.39Å; I655-K659 VanDerWaalsContact O-CB 3.28Å; I655-K659 WeakPolarHBondContact O-CB 3.08Å; I655-K659 PolarHBondContact O-N 3.38Å
656	L	85.5	Confident	85	Confident	40 Å²	40	57.8 Å²	57.8	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-40	-177.3	-163.8	110.4	0	0	0	111.8	F21 V24 R652 E653 L654 N660	F21-L656 HydrophobicContact CB-CD2 3.55Å; F21-L656 HydrophobicContact CD1-CD2 3.17Å; F21-L656 HydrophobicContact CD2-CD2 4.11Å; F21-L656 HydrophobicContact CE1-CD2 3.82Å; F21-L656 HydrophobicContact CG-CD2 3.33Å; F21-L656 HydrophobicContact CZ-CD2 4.5Å; V24-L656 HydrophobicContact CG2-CD2 4.04Å; R652-L656 WeakPolarHBondContact O-CB 3.27Å; R652-L656 PolarHBondContact O-N 2.92Å; E653-L656 PolarHBondContact O-N 3.3Å; L654-L656 VanDerWaalsContact C-N 3.32Å; L654-L656 PolarHBondContact O-N 3.3Å; L656-N660 VanDerWaalsContact O-CB 3.31Å; L656-N660 WeakPolarHBondContact O-CB 3.39Å; L656-N660 VanDerWaalsContact O-CG 3.22Å; L656-N660 PolarHBondContact O-N 2.85Å; L656-N660 PolarHBondContact O-ND2 3.39Å
657	A	86.4	Confident	84.3	Confident	10 Å²	10	58 Å²	58	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-43.7	177.6	0	0	0	0	0	111.7	E653 L654 N660 A661 L693 I696	E653-A657 WeakPolarHBondContact O-CB 3.36Å; E653-A657 PolarHBondContact O-N 3.09Å; L654-A657 PolarHBondContact O-N 3.06Å; A657-N660 PolarHBondContact O-N 3.28Å; A657-A661 VanDerWaalsContact O-CB 3.27Å; A657-A661 WeakPolarHBondContact O-CB 3.34Å; A657-A661 PolarHBondContact O-N 3.49Å; A657-L693 HydrophobicContact CB-CD2 3.64Å; A657-I696 HydrophobicContact CB-CD1 4.24Å; A657-I696 HydrophobicContact CB-CG2 4.26Å
658	I	87.9	Confident	83.8	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-46.3	176.5	-66.8	166	0	0	0	110.6	V619 V622 E623 L654 N660 A661 R662 L691 L693	V619-I658 HydrophobicContact CG1-CG2 3.82Å; V622-I658 HydrophobicContact CB-CD1 4.45Å; V622-I658 HydrophobicContact CG1-CD1 3.85Å; E623-I658 HydrophobicContact CG-CG2 4.5Å; L654-I658 WeakPolarHBondContact O-CB 3.29Å; L654-I658 VanDerWaalsContact O-CG1 3.25Å; L654-I658 WeakPolarHBondContact O-CG1 3.45Å; L654-I658 PolarHBondContact O-N 3.35Å; I658-N660 PolarHBondContact O-N 2.66Å; I658-A661 PolarHBondContact O-N 3.14Å; I658-R662 PolarHBondContact O-N 2.7Å; I658-L691 HydrophobicContact CG1-CD2 4.05Å; I658-L693 HydrophobicContact CG1-CD1 4.5Å
659	K	87.3	Confident	83.5	Confident	123 Å²	123	61.7 Å²	61.7	54%	0.535	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-45.4	178.4	-175.2	178.8	179.6	-179	0	111.8	I655 R662 Q663	I655-K659 VanDerWaalsContact O-CB 3.28Å; I655-K659 WeakPolarHBondContact O-CB 3.08Å; I655-K659 PolarHBondContact O-N 3.38Å; K659-R662 PolarHBondContact O-N 3.12Å; K659-Q663 WeakPolarHBondContact O-CG 3.27Å; K659-Q663 PolarHBondContact O-N 3.44Å
660	N	84.3	Confident	83.2	Confident	39 Å²	39	63.9 Å²	63.9	21%	0.209	31%	0.314	C	S	.	.	H	α-helix	trans	-67.7	-39.1	178.7	-74.4	-20.4	0	0	0	111.9	F21 L656 A657 I658 Q663 R664	F21-N660 WeakPolarHBondContact CD1-ND2 3.21Å; F21-N660 WeakPolarHBondContact CE1-ND2 3.31Å; L656-N660 VanDerWaalsContact O-CB 3.31Å; L656-N660 WeakPolarHBondContact O-CB 3.39Å; L656-N660 VanDerWaalsContact O-CG 3.22Å; L656-N660 PolarHBondContact O-N 2.85Å; L656-N660 PolarHBondContact O-ND2 3.39Å; A657-N660 PolarHBondContact O-N 3.28Å; I658-N660 PolarHBondContact O-N 2.66Å; N660-Q663 PolarHBondContact O-N 3.08Å; N660-R664 WeakPolarHBondContact O-CB 3.48Å; N660-R664 PolarHBondContact O-N 3.29Å
661	A	84.1	Confident	83.1	Confident	9 Å²	9	67.2 Å²	67.2	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-46.1	176.5	0	0	0	0	0	111.4	A657 I658 Q663 R664 Q665 L691	A657-A661 VanDerWaalsContact O-CB 3.27Å; A657-A661 WeakPolarHBondContact O-CB 3.34Å; A657-A661 PolarHBondContact O-N 3.49Å; I658-A661 PolarHBondContact O-N 3.14Å; A661-Q663 PolarHBondContact O-N 3.36Å; A661-R664 PolarHBondContact O-N 3.46Å; A661-Q665 WeakPolarHBondContact O-CA 3.4Å; A661-Q665 WeakPolarHBondContact O-CB 3.36Å; A661-Q665 PolarHBondContact O-N 2.88Å; A661-L691 HydrophobicContact CB-CD1 3.31Å
662	R	83.4	Confident	83.1	Confident	101 Å²	101	64.7 Å²	64.7	38%	0.381	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-28.9	174.8	-77.9	-167.6	177	160.5	8	114	E623 I658 K659 V668 S670	E623-R662 VanDerWaalsContact CD-NH2 3.31Å; E623-R662 IonicContact OE1-CZ 3.81Å; E623-R662 VanDerWaalsContact OE1-CZ 3.28Å; E623-R662 IonicContact OE1-NH1 3.49Å; E623-R662 PolarHBondContact OE1-NH1 3.44Å; E623-R662 VanDerWaalsContact OE1-NH1 3.13Å; E623-R662 IonicContact OE1-NH2 2.8Å; E623-R662 PolarHBondContact OE1-NH2 3.43Å; E623-R662 IonicContact OE2-CZ 3.51Å; E623-R662 IonicContact OE2-NH1 3.67Å; E623-R662 IonicContact OE2-NH2 3.83Å; E623-R662 PolarHBondContact OE2-NH2 2.96Å; I658-R662 PolarHBondContact O-N 2.7Å; K659-R662 PolarHBondContact O-N 3.12Å; R662-V668 HydrophobicContact CG-CG1 4.43Å; R662-S670 PolarHBondContact NH2-OG 3.16Å
663	Q	83.4	Confident	83.3	Confident	133 Å²	133	62.8 Å²	62.8	62%	0.621	32%	0.32	S	S	*	.	H	α-helix	trans	-85.9	-29.9	-179.3	-74.1	-178.6	-10.5	0	0	113.7	K659 N660 A661	K659-Q663 WeakPolarHBondContact O-CG 3.27Å; K659-Q663 PolarHBondContact O-N 3.44Å; N660-Q663 PolarHBondContact O-N 3.08Å; A661-Q663 PolarHBondContact O-N 3.36Å
664	R	76.2	Confident	83.5	Confident	166 Å²	166	61.7 Å²	61.7	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-112.2	-18.1	-170.4	-66.4	-172.2	174	-167.9	-3.1	114.1	N660 A661	N660-R664 WeakPolarHBondContact O-CB 3.48Å; N660-R664 PolarHBondContact O-N 3.29Å; A661-R664 PolarHBondContact O-N 3.46Å
665	Q	76.1	Confident	83.5	Confident	88 Å²	88	62.3 Å²	62.3	41%	0.411	32%	0.317	S	S	.	.	S	Bend	trans	-113.9	111	179.6	-65.7	179.7	-18.2	0	0	109.9	A661 G667 V668	A661-Q665 WeakPolarHBondContact O-CA 3.4Å; A661-Q665 WeakPolarHBondContact O-CB 3.36Å; A661-Q665 PolarHBondContact O-N 2.88Å; Q665-G667 PolarHBondContact O-N 2.97Å; Q665-V668 HydrophobicContact CB-CG2 3.73Å
666	D	67.2	Low	83.4	Confident	165 Å²	165	58.6 Å²	58.6	88%	0.882	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	120.4	172	-65	-35.3	0	0	0	109.1
667	G	76.1	Confident	83.3	Confident	44 Å²	44	57.9 Å²	57.9	45%	0.454	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.8	-0.2	178	0	0	0	0	0	116.5	Q665 V669 H689	Q665-G667 PolarHBondContact O-N 2.97Å; G667-V669 PolarHBondContact O-N 3.25Å; G667-H689 PolarHBondContact O-N 2.89Å
668	V	80.6	Confident	82.7	Confident	13 Å²	13	63.8 Å²	63.8	8%	0.079	32%	0.321	C	S	.	.			trans	-80.5	108	169.6	-179.4	0	0	0	0	109.7	R662 Q665	R662-V668 HydrophobicContact CG-CG1 4.43Å; Q665-V668 HydrophobicContact CB-CG2 3.73Å
669	V	84.2	Confident	82.2	Confident	73 Å²	73	70.2 Å²	70.2	44%	0.442	36%	0.356	S	S	.	.			trans	-114	170.8	-179.8	-66.9	0	0	0	0	110.8	G667 N671 S672 P688	G667-V669 PolarHBondContact O-N 3.25Å; V669-N671 PolarHBondContact O-N 2.59Å; V669-S672 PolarHBondContact N-OG 2.89Å; V669-S672 WeakPolarHBondContact O-CB 3.5Å; V669-S672 PolarHBondContact O-N 3.27Å; V669-S672 PolarHBondContact O-OG 3.18Å; V669-P688 HydrophobicContact CG2-CB 3.42Å; V669-P688 VanDerWaalsContact CG2-CB 3.42Å; V669-P688 HydrophobicContact CG2-CG 4.39Å
670	S	84.4	Confident	81.6	Confident	46 Å²	46	65.7 Å²	65.7	32%	0.322	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.1	179.1	-55	0	0	0	0	113.2	V619 E620 R662 S672	V619-S670 PolarHBondContact N-O 3.44Å; E620-S670 PolarHBondContact N-O 3.48Å; R662-S670 PolarHBondContact NH2-OG 3.16Å; S670-S672 VanDerWaalsContact C-N 3.3Å; S670-S672 PolarHBondContact O-N 3.49Å
671	N	86.3	Confident	81.3	Confident	107 Å²	107	67.5 Å²	67.5	57%	0.572	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.1	177.5	-69	7	0	0	0	114.2	V669 I673 P688	V669-N671 PolarHBondContact O-N 2.59Å; N671-I673 PolarHBondContact O-N 2.74Å; N671-P688 HydrophobicContact CB-CG 4.44Å
672	S	87.2	Confident	80.7	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-62.5	133.6	174.6	-73.2	0	0	0	0	110.1	T618 V619 V669 S670 H689	T618-S672 CarbonylContact C-O 3.6Å; T618-S672 WeakPolarHBondContact CA-O 3.28Å; V619-S672 WeakPolarHBondContact CG2-O 3.46Å; V619-S672 PolarHBondContact N-O 3.05Å; V669-S672 PolarHBondContact N-OG 2.89Å; V669-S672 WeakPolarHBondContact O-CB 3.5Å; V669-S672 PolarHBondContact O-N 3.27Å; V669-S672 PolarHBondContact O-OG 3.18Å; S670-S672 VanDerWaalsContact C-N 3.3Å; S670-S672 PolarHBondContact O-N 3.49Å; S672-H689 WeakPolarHBondContact CB-O 3.41Å; S672-H689 PolarHBondContact OG-O 3.49Å
673	I	87.6	Confident	80.3	Confident	52 Å²	52	74.4 Å²	74.4	27%	0.267	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-77.7	136.9	176.7	-61.8	171	0	0	0	109.5	D615 N671 Y675 L691	D615-I673 WeakPolarHBondContact O-CG2 3.41Å; N671-I673 PolarHBondContact O-N 2.74Å; I673-Y675 HydrophobicContact CB-CD2 4.47Å; I673-Y675 HydrophobicContact CB-CE2 3.81Å; I673-Y675 HydrophobicContact CG2-CD2 4.04Å; I673-Y675 HydrophobicContact CG2-CE1 4.39Å; I673-Y675 HydrophobicContact CG2-CE2 3.5Å; I673-L691 PolarHBondContact O-N 3.14Å
674	V	88.1	Confident	79.9	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.1	177.1	-178.2	0	0	0	0	109.7	M617 V619 V622 F676 L691 L693	M617-V674 PolarHBondContact O-N 3.05Å; V619-V674 HydrophobicContact CG2-CG2 3.79Å; V622-V674 HydrophobicContact CG2-CG2 4.18Å; V674-F676 HydrophobicContact CG1-CD2 4.31Å; V674-F676 HydrophobicContact CG1-CE2 3.7Å; V674-F676 HydrophobicContact CG1-CZ 3.87Å; V674-L691 WeakPolarHBondContact CA-O 3.29Å; V674-L691 HydrophobicContact CG2-CB 4.48Å; V674-L691 HydrophobicContact CG2-CD2 4.31Å; V674-L693 HydrophobicContact CG1-CB 4.24Å; V674-L693 HydrophobicContact CG1-CD1 3.54Å; V674-L693 HydrophobicContact CG1-CG 3.9Å
675	Y	88.7	Confident	79.4	Confident	13 Å²	13	70.9 Å²	70.9	5%	0.051	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.8	177.6	-72	-85.3	0	0	0	111.7	Q614 D615 I673 P680 P681 L683 P690 L691 L693	Q614-Y675 WeakPolarHBondContact O-CA 3.24Å; D615-Y675 HydrophobicContact CB-CD1 3.67Å; D615-Y675 HydrophobicContact CB-CE1 3.54Å; I673-Y675 HydrophobicContact CB-CD2 4.47Å; I673-Y675 HydrophobicContact CB-CE2 3.81Å; I673-Y675 HydrophobicContact CG2-CD2 4.04Å; I673-Y675 HydrophobicContact CG2-CE1 4.39Å; I673-Y675 HydrophobicContact CG2-CE2 3.5Å; Y675-P680 HydrophobicContact CD1-CB 4.01Å; Y675-P680 HydrophobicContact CD2-CB 4.01Å; Y675-P680 HydrophobicContact CE1-CB 4.35Å; Y675-P680 HydrophobicContact CE2-CB 4.35Å; Y675-P680 HydrophobicContact CG-CB 3.82Å; Y675-P681 VanDerWaalsContact CE1-CD 3.48Å; Y675-P681 HydrophobicContact CE1-CG 3.9Å; Y675-L683 HydrophobicContact CE2-CD1 4.28Å; Y675-P690 HydrophobicContact CD2-CB 3.66Å; Y675-P690 HydrophobicContact CE2-CB 3.7Å; Y675-L691 PolarHBondContact N-O 3.27Å; Y675-L693 PolarHBondContact O-N 3.15Å
676	F	86.3	Confident	79.1	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.018	42%	0.423	C	S	.	.			trans	-101	30.4	170.1	-62.9	-82.3	0	0	0	112	L612 T613 Q614 V636 L654 V674 L693 R694 L697	L612-F676 HydrophobicContact CB-CE2 4.35Å; L612-F676 HydrophobicContact CD1-CZ 4.11Å; T613-F676 WeakPolarHBondContact O-CD2 3.32Å; Q614-F676 PolarHBondContact O-N 3.03Å; V636-F676 HydrophobicContact CG1-CB 4.13Å; V636-F676 HydrophobicContact CG1-CD2 3.86Å; V636-F676 HydrophobicContact CG1-CE2 4.41Å; V636-F676 HydrophobicContact CG1-CG 3.94Å; L654-F676 HydrophobicContact CD2-CE1 4.31Å; L654-F676 HydrophobicContact CD2-CZ 4.08Å; V674-F676 HydrophobicContact CG1-CD2 4.31Å; V674-F676 HydrophobicContact CG1-CE2 3.7Å; V674-F676 HydrophobicContact CG1-CZ 3.87Å; F676-L693 HydrophobicContact CD1-CB 3.88Å; F676-L693 HydrophobicContact CE1-CB 3.55Å; F676-L693 HydrophobicContact CE1-CD1 4.35Å; F676-L693 HydrophobicContact CZ-CB 4.21Å; F676-L693 HydrophobicContact CZ-CD1 4.31Å; F676-R694 WeakPolarHBondContact O-CD 3.17Å; F676-L697 HydrophobicContact CD1-CD1 4.32Å
677	T	83.9	Confident	79.4	Confident	24 Å²	24	69 Å²	69	15%	0.147	40%	0.395	C	S	.	.	S	Bend	trans	-112	160.4	175.7	61	0	0	0	0	111.8	Q614 D679 R694	Q614-T677 HydrophobicContact CG-CG2 3.56Å; T677-D679 PolarHBondContact OG1-O 3.11Å; T677-D679 VanDerWaalsContact OG1-O 3.13Å; T677-R694 WeakPolarHBondContact O-CB 3.28Å
678	E	74.6	Confident	79.5	Confident	135 Å²	135	69.2 Å²	69.2	63%	0.631	39%	0.389	S	S	*	.	S	Bend	trans	-70.5	-48.4	171.7	-72.3	-179.8	-179.5	0	0	110.3	P680 R694	E678-P680 WeakPolarHBondContact O-CD 3.47Å; E678-R694 HydrophobicContact CG-CG 4.05Å
679	D	76.8	Confident	79.5	Confident	138 Å²	138	73.6 Å²	73.6	74%	0.738	41%	0.408	S	S	*	.	S	Bend	trans	-109.2	104.2	179.5	-56.7	-46.8	0	0	0	109.7	T677	T677-D679 PolarHBondContact OG1-O 3.11Å; T677-D679 VanDerWaalsContact OG1-O 3.13Å
680	P	75.4	Confident	79.4	Confident	28 Å²	28	71.2 Å²	71.2	18%	0.182	39%	0.394	C	S	.	.			trans	-76.6	150.9	168.6	30.2	-30.7	0	0	0	110.2	Y675 E678 K692	Y675-P680 HydrophobicContact CD1-CB 4.01Å; Y675-P680 HydrophobicContact CD2-CB 4.01Å; Y675-P680 HydrophobicContact CE1-CB 4.35Å; Y675-P680 HydrophobicContact CE2-CB 4.35Å; Y675-P680 HydrophobicContact CG-CB 3.82Å; E678-P680 WeakPolarHBondContact O-CD 3.47Å; P680-K692 HydrophobicContact CG-CD 4.17Å; P680-K692 HydrophobicContact CG-CG 4.46Å
681	P	77.5	Confident	79.4	Confident	78 Å²	78	69.2 Å²	69.2	51%	0.506	38%	0.38	S	S	.	.			trans	-61.3	147.7	174.6	26	-32.8	0	0	0	111.4	Y675 L683	Y675-P681 VanDerWaalsContact CE1-CD 3.48Å; Y675-P681 HydrophobicContact CE1-CG 3.9Å; P681-L683 PolarHBondContact O-N 3.37Å; P681-L683 VanDerWaalsContact O-N 3.16Å
682	E	71.8	Confident	79.4	Confident	199 Å²	199	69.5 Å²	69.5	93%	0.93	38%	0.376	S	S	*	.			trans	-65.6	112.8	173.6	-70.3	-176.3	176	0	0	109.5
683	L	73.8	Confident	79.3	Confident	56 Å²	56	69.9 Å²	69.9	29%	0.293	38%	0.378	S	S	.	.			trans	-86.7	153.6	179.7	-68.4	160.5	0	0	0	111	Y675 P681 S687 P690	Y675-L683 HydrophobicContact CE2-CD1 4.28Å; P681-L683 PolarHBondContact O-N 3.37Å; P681-L683 VanDerWaalsContact O-N 3.16Å; L683-S687 WeakPolarHBondContact CB-OG 3.5Å; L683-P690 HydrophobicContact CD1-CB 3.86Å; L683-P690 HydrophobicContact CD1-CG 3.89Å
684	P	75.9	Confident	79.1	Confident	87 Å²	87	69.5 Å²	69.5	57%	0.565	37%	0.374	S	S	*	.			trans	-57.1	149.7	176.5	-21.1	31	0	0	0	112.1	N686 S687	P684-N686 PolarHBondContact O-N 3.03Å; P684-S687 WeakPolarHBondContact O-CB 3.29Å; P684-S687 PolarHBondContact O-N 3.05Å; P684-S687 PolarHBondContact O-OG 3.17Å
685	P	65.9	Low	78.8	Confident	138 Å²	138	76.1 Å²	76.1	90%	0.896	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.9	-173.9	21.5	-32.5	0	0	0	115.1
686	N	68.9	Low	78.5	Confident	169 Å²	169	76.4 Å²	76.4	90%	0.904	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	2.4	177.4	-97.1	4.6	0	0	0	114.4	P684	P684-N686 PolarHBondContact O-N 3.03Å
687	S	73.1	Confident	78.4	Confident	43 Å²	43	76.8 Å²	76.8	30%	0.301	40%	0.403	S	S	.	.	S	Bend	trans	-83.9	148.5	-179.2	65.1	0	0	0	0	111.8	L683 P684	L683-S687 WeakPolarHBondContact CB-OG 3.5Å; P684-S687 WeakPolarHBondContact O-CB 3.29Å; P684-S687 PolarHBondContact O-N 3.05Å; P684-S687 PolarHBondContact O-OG 3.17Å
688	P	78.4	Confident	78.4	Confident	49 Å²	49	79 Å²	79	32%	0.318	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-62.1	145.6	174.7	26.4	-33.8	0	0	0	110.8	V669 N671	V669-P688 HydrophobicContact CG2-CB 3.42Å; V669-P688 VanDerWaalsContact CG2-CB 3.42Å; V669-P688 HydrophobicContact CG2-CG 4.39Å; N671-P688 HydrophobicContact CB-CG 4.44Å
689	H	80.5	Confident	78.9	Confident	105 Å²	105	76.9 Å²	76.9	49%	0.486	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-61.7	129.9	-172.6	-159.4	-74.6	0	0	0	110.6	G667 S672	G667-H689 PolarHBondContact O-N 2.89Å; S672-H689 WeakPolarHBondContact CB-O 3.41Å; S672-H689 PolarHBondContact OG-O 3.49Å
690	P	82.4	Confident	79.3	Confident	23 Å²	23	75 Å²	75	15%	0.149	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-69.9	144	-177.8	27.5	-34.6	0	0	0	111.4	Y675 L683	Y675-P690 HydrophobicContact CD2-CB 3.66Å; Y675-P690 HydrophobicContact CE2-CB 3.7Å; L683-P690 HydrophobicContact CD1-CB 3.86Å; L683-P690 HydrophobicContact CD1-CG 3.89Å
691	L	84.3	Confident	79.9	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112	177	-179.4	61	0	0	0	110.4	V619 I658 A661 I673 V674 Y675 L693	V619-L691 HydrophobicContact CG2-CB 4.36Å; V619-L691 HydrophobicContact CG2-CD2 3.82Å; I658-L691 HydrophobicContact CG1-CD2 4.05Å; A661-L691 HydrophobicContact CB-CD1 3.31Å; I673-L691 PolarHBondContact O-N 3.14Å; V674-L691 WeakPolarHBondContact CA-O 3.29Å; V674-L691 HydrophobicContact CG2-CB 4.48Å; V674-L691 HydrophobicContact CG2-CD2 4.31Å; Y675-L691 PolarHBondContact N-O 3.27Å; L691-L693 HydrophobicContact CD1-CD2 4.16Å; L691-L693 HydrophobicContact CD2-CD1 4.05Å; L691-L693 HydrophobicContact CD2-CD2 4.1Å; L691-L693 HydrophobicContact CD2-CG 4.11Å; L691-L693 HydrophobicContact CG-CD1 4.41Å; L691-L693 HydrophobicContact CG-CD2 3.93Å; L691-L693 HydrophobicContact CG-CG 3.93Å
692	K	85.8	Confident	80.5	Confident	114 Å²	114	74 Å²	74	50%	0.496	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.6	178.7	-53.5	-169.5	-165.5	-162.7	0	111	P680	P680-K692 HydrophobicContact CG-CD 4.17Å; P680-K692 HydrophobicContact CG-CG 4.46Å
693	L	85	Confident	81.5	Confident	7 Å²	7	67.7 Å²	67.7	4%	0.037	37%	0.366	C	S	.	.			trans	-116	14.2	-179.8	-64	-172.2	0	0	0	113.6	L654 A657 I658 V674 Y675 F676 L691 R695 I696	L654-L693 HydrophobicContact CD2-CD1 4.03Å; A657-L693 HydrophobicContact CB-CD2 3.64Å; I658-L693 HydrophobicContact CG1-CD1 4.5Å; V674-L693 HydrophobicContact CG1-CB 4.24Å; V674-L693 HydrophobicContact CG1-CD1 3.54Å; V674-L693 HydrophobicContact CG1-CG 3.9Å; Y675-L693 PolarHBondContact O-N 3.15Å; F676-L693 HydrophobicContact CD1-CB 3.88Å; F676-L693 HydrophobicContact CE1-CB 3.55Å; F676-L693 HydrophobicContact CE1-CD1 4.35Å; F676-L693 HydrophobicContact CZ-CB 4.21Å; F676-L693 HydrophobicContact CZ-CD1 4.31Å; L691-L693 HydrophobicContact CD1-CD2 4.16Å; L691-L693 HydrophobicContact CD2-CD1 4.05Å; L691-L693 HydrophobicContact CD2-CD2 4.1Å; L691-L693 HydrophobicContact CD2-CG 4.11Å; L691-L693 HydrophobicContact CG-CD1 4.41Å; L691-L693 HydrophobicContact CG-CD2 3.93Å; L691-L693 HydrophobicContact CG-CG 3.93Å; L693-R695 PolarHBondContact O-N 3.45Å; L693-R695 VanDerWaalsContact O-N 3.12Å; L693-I696 HydrophobicContact CB-CD1 4.03Å; L693-I696 HydrophobicContact CB-CG1 3.99Å; L693-I696 HydrophobicContact CD1-CD1 4.2Å; L693-I696 HydrophobicContact CD2-CD1 4.34Å; L693-I696 HydrophobicContact CG-CD1 4.42Å; L693-I696 WeakPolarHBondContact O-CG1 3.5Å; L693-I696 PolarHBondContact O-N 2.93Å
694	R	84.8	Confident	82.5	Confident	45 Å²	45	65.5 Å²	65.5	17%	0.17	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-51.8	-37.1	179.3	-179	68.6	-177.1	76	8.4	114.7	F676 T677 E678 L697	F676-R694 WeakPolarHBondContact O-CD 3.17Å; T677-R694 WeakPolarHBondContact O-CB 3.28Å; E678-R694 HydrophobicContact CG-CG 4.05Å; R694-L697 VanDerWaalsContact O-CB 3.25Å; R694-L697 WeakPolarHBondContact O-CB 3.26Å; R694-L697 PolarHBondContact O-N 2.64Å
695	R	80.3	Confident	83.4	Confident	140 Å²	140	65.1 Å²	65.1	53%	0.528	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-74.4	-22.9	-173.6	-69.6	-170.2	177.5	167.3	9.4	114.8	D15 L693 L697	D15-R695 IonicContact OD1-CZ 3.61Å; D15-R695 IonicContact OD1-NH1 3.13Å; D15-R695 PolarHBondContact OD1-NH1 3.42Å; D15-R695 IonicContact OD1-NH2 3.28Å; D15-R695 PolarHBondContact OD1-NH2 3.47Å; D15-R695 IonicContact OD2-CZ 3.58Å; D15-R695 IonicContact OD2-NH1 3.21Å; D15-R695 PolarHBondContact OD2-NH1 3.27Å; D15-R695 IonicContact OD2-NH2 2.86Å; D15-R695 PolarHBondContact OD2-NH2 2.83Å; L693-R695 PolarHBondContact O-N 3.45Å; L693-R695 VanDerWaalsContact O-N 3.12Å; R695-L697 VanDerWaalsContact C-N 3.27Å
696	I	83.3	Confident	84.6	Confident	18 Å²	18	59 Å²	59	9%	0.092	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-83.9	-8.6	174.8	60.8	159.4	0	0	0	111.8	F21 E653 L654 A657 L693	F21-I696 HydrophobicContact CE2-CG2 4.44Å; E653-I696 HydrophobicContact CB-CB 4.25Å; E653-I696 HydrophobicContact CB-CD1 4.49Å; E653-I696 HydrophobicContact CB-CG2 4.43Å; L654-I696 HydrophobicContact CD2-CD1 3.65Å; L654-I696 HydrophobicContact CG-CD1 3.99Å; A657-I696 HydrophobicContact CB-CD1 4.24Å; A657-I696 HydrophobicContact CB-CG2 4.26Å; L693-I696 HydrophobicContact CB-CD1 4.03Å; L693-I696 HydrophobicContact CB-CG1 3.99Å; L693-I696 HydrophobicContact CD1-CD1 4.2Å; L693-I696 HydrophobicContact CD2-CD1 4.34Å; L693-I696 HydrophobicContact CG-CD1 4.42Å; L693-I696 WeakPolarHBondContact O-CG1 3.5Å; L693-I696 PolarHBondContact O-N 2.93Å
697	L	84.1	Confident	85.8	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.063	29%	0.292	C	S	.	.	S	Bend	trans	-76.6	125.4	180	-167.7	83.7	0	0	0	110.7	V636 I646 A649 F676 R694 R695 L699	V636-L697 HydrophobicContact CB-CD1 3.62Å; V636-L697 HydrophobicContact CG1-CD1 4.23Å; V636-L697 HydrophobicContact CG2-CD1 3.19Å; I646-L697 HydrophobicContact CG2-CD2 3.86Å; A649-L697 HydrophobicContact CB-CD1 4.4Å; F676-L697 HydrophobicContact CD1-CD1 4.32Å; R694-L697 VanDerWaalsContact O-CB 3.25Å; R694-L697 WeakPolarHBondContact O-CB 3.26Å; R694-L697 PolarHBondContact O-N 2.64Å; R695-L697 VanDerWaalsContact C-N 3.27Å; L697-L699 HydrophobicContact CD2-CD2 3.87Å; L697-L699 HydrophobicContact CD2-CG 4.36Å; L697-L699 PolarHBondContact O-N 3.18Å
698	N	84.1	Confident	86.8	Confident	72 Å²	72	55.2 Å²	55.2	39%	0.385	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-74	110.9	160.1	-176.5	2.5	0	0	0	109.1	G647 F648 S700	G647-N698 CarbonylContact C-O 3.58Å; G647-N698 WeakPolarHBondContact CA-O 3.21Å; F648-N698 PolarHBondContact N-O 3.06Å; F648-N698 WeakPolarHBondContact O-CB 3.37Å; F648-N698 PolarHBondContact O-N 3.2Å; N698-S700 PolarHBondContact OD1-N 3.48Å; N698-S700 VanDerWaalsContact OD1-N 3.11Å
699	L	84.8	Confident	87.4	Confident	89 Å²	89	55.9 Å²	55.9	47%	0.466	29%	0.288	S	S	.	.	S	Bend	trans	-77.8	-20.3	-178.1	-78.7	161.2	0	0	0	115.2	L697 P701	L697-L699 HydrophobicContact CD2-CD2 3.87Å; L697-L699 HydrophobicContact CD2-CG 4.36Å; L697-L699 PolarHBondContact O-N 3.18Å; L699-P701 WeakPolarHBondContact O-CD 3.25Å
700	S	85.7	Confident	87.9	Confident	98 Å²	98	51 Å²	51	69%	0.685	27%	0.265	S	S	*	.	S	Bend	trans	-122.6	57.9	-177.4	49.1	0	0	0	0	109.7	N698	N698-S700 PolarHBondContact OD1-N 3.48Å; N698-S700 VanDerWaalsContact OD1-N 3.11Å
701	P	88.2	Confident	88.2	Confident	19 Å²	19	55.1 Å²	55.1	12%	0.123	28%	0.283	C	S	.	.			trans	-62.6	143.6	171.7	32.1	-35.1	0	0	0	108.8	L645 F648 L699 T703 L726	L645-P701 HydrophobicContact CD2-CG 4.15Å; F648-P701 HydrophobicContact CB-CB 3.94Å; F648-P701 HydrophobicContact CB-CG 4.44Å; L699-P701 WeakPolarHBondContact O-CD 3.25Å; P701-T703 PolarHBondContact O-N 3.18Å; P701-L726 HydrophobicContact CB-CD1 3.75Å; P701-L726 HydrophobicContact CG-CD1 3.8Å
702	F	89.9	Confident	88.5	Confident	68 Å²	68	58 Å²	58	30%	0.298	30%	0.301	S	S	.	.			trans	-68	122.7	-179.7	-160.2	-78.5	0	0	0	109.8	V704 I716 L720 L722 C725 L726	F702-V704 HydrophobicContact CD1-CG1 4.5Å; F702-V704 HydrophobicContact CE1-CG1 4.05Å; F702-I716 HydrophobicContact CD1-CG2 3.98Å; F702-I716 HydrophobicContact CE1-CD1 3.9Å; F702-I716 HydrophobicContact CE1-CG1 4.42Å; F702-I716 HydrophobicContact CE1-CG2 3.41Å; F702-I716 VanDerWaalsContact CE1-CG2 3.41Å; F702-I716 HydrophobicContact CE2-CG2 4.28Å; F702-I716 HydrophobicContact CZ-CD1 4.06Å; F702-I716 HydrophobicContact CZ-CG1 4.28Å; F702-I716 HydrophobicContact CZ-CG2 3.57Å; F702-L720 HydrophobicContact CD2-CD1 3.9Å; F702-L720 HydrophobicContact CE2-CD1 3.38Å; F702-L720 HydrophobicContact CZ-CD1 3.99Å; F702-L722 HydrophobicContact CB-CD1 3.79Å; F702-L722 HydrophobicContact CB-CD2 4.25Å; F702-L722 HydrophobicContact CD1-CD1 3.59Å; F702-L722 HydrophobicContact CD2-CD1 4.18Å; F702-L722 HydrophobicContact CD2-CD2 4.47Å; F702-L722 HydrophobicContact CE1-CD1 4.24Å; F702-L722 HydrophobicContact CG-CD1 3.56Å; F702-L722 HydrophobicContact CG-CD2 4.37Å; F702-C725 PolarHBondContact O-SG 3.4Å; F702-L726 PolarHBondContact O-N 3.42Å
703	T	92.8	Very high	88.7	Confident	65 Å²	65	52.7 Å²	52.7	40%	0.399	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.1	-176.4	49	0	0	0	0	111	L645 P701 L726 T728	L645-T703 HydrophobicContact CD2-CG2 3.51Å; P701-T703 PolarHBondContact O-N 3.18Å; T703-L726 CarbonylContact C-O 3.54Å; T703-L726 WeakPolarHBondContact CA-O 3.29Å; T703-L726 HydrophobicContact CG2-CB 4Å; T703-T728 HydrophobicContact CG2-CG2 3.95Å
704	V	94.9	Very high	88.9	Confident	11 Å²	11	52.4 Å²	52.4	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.5	169.4	-67.2	0	0	0	0	109.6	A596 F702 V713 I716 C725 L726 V727 T728	A596-V704 HydrophobicContact CB-CG2 4.33Å; F702-V704 HydrophobicContact CD1-CG1 4.5Å; F702-V704 HydrophobicContact CE1-CG1 4.05Å; V704-V713 HydrophobicContact CG2-CG2 4.5Å; V704-I716 HydrophobicContact CG1-CD1 4.18Å; V704-C725 VanDerWaalsContact CG1-SG 3.54Å; V704-C725 VanDerWaalsContact CG2-SG 3.58Å; V704-L726 PolarHBondContact N-O 3.43Å; V704-V727 HydrophobicContact CG2-CG2 3.96Å; V704-V727 WeakPolarHBondContact O-CA 3.37Å; V704-T728 PolarHBondContact O-N 3.06Å
705	T	94.5	Very high	89	Confident	78 Å²	78	52.6 Å²	52.6	48%	0.479	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	155.3	172.1	63.5	0	0	0	0	110.1	H707 T708 T728	T705-H707 PolarHBondContact O-N 3.33Å; T705-T708 PolarHBondContact N-OG1 3.28Å; T705-T708 VanDerWaalsContact O-CB 3.27Å; T705-T708 WeakPolarHBondContact O-CB 3.23Å; T705-T708 PolarHBondContact O-N 3.02Å; T705-T708 PolarHBondContact O-OG1 3.11Å; T705-T708 PolarHBondContact OG1-OG1 3.46Å; T705-T728 WeakPolarHBondContact CA-O 3.4Å
706	D	92	Very high	89.4	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.048	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21	-174.6	78.2	-66.2	0	0	0	113.5	T597 V727 T728 R729 L734	T597-D706 HydrophobicContact CG2-CB 3.43Å; T597-D706 VanDerWaalsContact CG2-CB 3.43Å; T597-D706 WeakPolarHBondContact CG2-O 3.47Å; T597-D706 PolarHBondContact N-O 3.42Å; T597-D706 PolarHBondContact OG1-O 2.96Å; D706-V727 HydrophobicContact CB-CG1 3.86Å; D706-T728 PolarHBondContact N-O 3.24Å; D706-R729 VanDerWaalsContact CG-NE 3.29Å; D706-R729 IonicContact OD1-CZ 3.96Å; D706-R729 IonicContact OD1-NE 3.2Å; D706-R729 PolarHBondContact OD1-NE 3.12Å; D706-R729 IonicContact OD1-NH2 3.91Å; D706-R729 IonicContact OD2-CZ 2.94Å; D706-R729 IonicContact OD2-NE 2.91Å; D706-R729 PolarHBondContact OD2-NE 2.87Å; D706-R729 IonicContact OD2-NH1 3.99Å; D706-R729 IonicContact OD2-NH2 2.6Å; D706-R729 PolarHBondContact OD2-NH2 3.5Å; D706-L734 HydrophobicContact CB-CD1 3.71Å
707	H	92.8	Very high	89.5	Confident	113 Å²	113	47 Å²	47	52%	0.523	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.6	173.5	-64.3	-70.7	0	0	0	114.4	T705 R729	T705-H707 PolarHBondContact O-N 3.33Å; H707-R729 PolarHBondContact CE1-NH2 3.05Å; H707-R729 PolarHBondContact NE2-NH2 3.33Å
708	T	93.4	Very high	89.4	Confident	20 Å²	20	46.9 Å²	46.9	12%	0.123	26%	0.259	C	S	.	.			trans	-66.6	129.5	178.3	-55	0	0	0	0	109.7	A596 T705 T712 V713	A596-T708 PolarHBondContact N-O 2.93Å; T705-T708 PolarHBondContact N-OG1 3.28Å; T705-T708 VanDerWaalsContact O-CB 3.27Å; T705-T708 WeakPolarHBondContact O-CB 3.23Å; T705-T708 PolarHBondContact O-N 3.02Å; T705-T708 PolarHBondContact O-OG1 3.11Å; T705-T708 PolarHBondContact OG1-OG1 3.46Å; T708-T712 HydrophobicContact CG2-CG2 4.21Å; T708-V713 HydrophobicContact CG2-CG2 3.88Å
709	P	92.6	Very high	89.2	Confident	64 Å²	64	49.9 Å²	49.9	42%	0.416	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-60.3	141	174	-23.2	34	0	0	0	111.8	E711 T712 V713	P709-E711 PolarHBondContact O-N 3.4Å; P709-T712 WeakPolarHBondContact O-CB 3.19Å; P709-T712 PolarHBondContact O-N 2.92Å; P709-T712 VanDerWaalsContact O-N 3.08Å; P709-V713 PolarHBondContact O-N 2.94Å; P709-V713 VanDerWaalsContact O-N 3.16Å
710	M	90.5	Very high	89	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-27.1	179.5	-81.1	-56.5	-56.7	0	0	113.1	F590 T594 V599 T712 V713 V714 V742	F590-M710 HydrophobicContact CD1-CB 4.21Å; F590-M710 HydrophobicContact CE1-CB 3.51Å; F590-M710 HydrophobicContact CZ-CB 3.89Å; T594-M710 VanDerWaalsContact O-CB 3.29Å; T594-M710 WeakPolarHBondContact O-CB 3.32Å; T594-M710 WeakPolarHBondContact O-CG 3.39Å; T594-M710 PolarHBondContact O-N 2.92Å; T594-M710 WeakPolarHBondContact OG1-CB 3.36Å; T594-M710 WeakPolarHBondContact OG1-CG 3.38Å; V599-M710 HydrophobicContact CB-CE 4.16Å; V599-M710 HydrophobicContact CB-SD 3.87Å; V599-M710 HydrophobicContact CG1-CE 4.11Å; V599-M710 HydrophobicContact CG1-SD 4.46Å; V599-M710 HydrophobicContact CG2-CE 3.88Å; V599-M710 HydrophobicContact CG2-CG 3.78Å; V599-M710 HydrophobicContact CG2-SD 3.59Å; V599-M710 VanDerWaalsContact CG2-SD 3.59Å; M710-T712 VanDerWaalsContact C-N 3.33Å; M710-T712 PolarHBondContact O-N 3.38Å; M710-V713 HydrophobicContact CE-CB 4.11Å; M710-V713 HydrophobicContact CE-CG1 4.04Å; M710-V713 PolarHBondContact O-N 3.26Å; M710-V713 HydrophobicContact SD-CB 4.03Å; M710-V713 HydrophobicContact SD-CG1 4.23Å; M710-V713 HydrophobicContact SD-CG2 4.16Å; M710-V714 HydrophobicContact CE-CG2 4.27Å; M710-V714 WeakPolarHBondContact O-CB 3.14Å; M710-V714 WeakPolarHBondContact O-CG2 3.13Å; M710-V714 PolarHBondContact O-N 2.91Å; M710-V742 HydrophobicContact CE-CG2 4.32Å
711	E	88.4	Confident	88.6	Confident	111 Å²	111	44.8 Å²	44.8	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-54.8	-50.2	171.3	-175.2	-173.9	174.3	0	0	111	F590 P709 V713 V714 D715	F590-E711 HydrophobicContact CB-CB 4.49Å; F590-E711 HydrophobicContact CD1-CB 4.19Å; P709-E711 PolarHBondContact O-N 3.4Å; E711-V713 PolarHBondContact O-N 3.16Å; E711-V714 PolarHBondContact O-N 3.47Å; E711-D715 WeakPolarHBondContact O-CB 3.46Å; E711-D715 PolarHBondContact O-N 3.45Å
712	T	90.1	Very high	88.3	Confident	65 Å²	65	44.2 Å²	44.2	40%	0.399	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-41	177.2	-48	0	0	0	0	111.5	T708 P709 M710 D715 I716	T708-T712 HydrophobicContact CG2-CG2 4.21Å; P709-T712 WeakPolarHBondContact O-CB 3.19Å; P709-T712 PolarHBondContact O-N 2.92Å; P709-T712 VanDerWaalsContact O-N 3.08Å; M710-T712 VanDerWaalsContact C-N 3.33Å; M710-T712 PolarHBondContact O-N 3.38Å; T712-D715 PolarHBondContact O-N 3.46Å; T712-I716 HydrophobicContact CG2-CD1 3.98Å; T712-I716 WeakPolarHBondContact O-CB 3.33Å; T712-I716 WeakPolarHBondContact O-CD1 2.95Å; T712-I716 WeakPolarHBondContact O-CG1 3.36Å; T712-I716 PolarHBondContact O-N 2.97Å
713	V	90.8	Very high	87.8	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-48.9	177.2	178.5	0	0	0	0	110.6	A596 V704 T708 P709 M710 E711 D715 I716 F717 I737	A596-V713 HydrophobicContact CB-CG2 4.18Å; V704-V713 HydrophobicContact CG2-CG2 4.5Å; T708-V713 HydrophobicContact CG2-CG2 3.88Å; P709-V713 PolarHBondContact O-N 2.94Å; P709-V713 VanDerWaalsContact O-N 3.16Å; M710-V713 HydrophobicContact CE-CB 4.11Å; M710-V713 HydrophobicContact CE-CG1 4.04Å; M710-V713 PolarHBondContact O-N 3.26Å; M710-V713 HydrophobicContact SD-CB 4.03Å; M710-V713 HydrophobicContact SD-CG1 4.23Å; M710-V713 HydrophobicContact SD-CG2 4.16Å; E711-V713 PolarHBondContact O-N 3.16Å; V713-D715 VanDerWaalsContact C-N 3.31Å; V713-D715 PolarHBondContact O-N 2.83Å; V713-I716 WeakPolarHBondContact O-CB 3.36Å; V713-I716 PolarHBondContact O-N 3.18Å; V713-I716 VanDerWaalsContact O-N 3.16Å; V713-F717 HydrophobicContact CG1-CD2 3.79Å; V713-F717 HydrophobicContact CG1-CE2 3.79Å; V713-F717 VanDerWaalsContact O-CD2 3.31Å; V713-F717 WeakPolarHBondContact O-CD2 3.27Å; V713-F717 PolarHBondContact O-N 3.42Å; V713-I737 HydrophobicContact CG1-CD1 4.18Å; V713-I737 HydrophobicContact CG1-CG2 4.42Å
714	V	88.5	Confident	87.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-46.1	176.8	170.6	0	0	0	0	110.2	L584 F590 M710 E711 I716 F717 R718 V742	L584-V714 HydrophobicContact CD1-CG1 4.4Å; F590-V714 HydrophobicContact CD2-CG2 4.31Å; F590-V714 HydrophobicContact CG-CG2 4.42Å; M710-V714 HydrophobicContact CE-CG2 4.27Å; M710-V714 WeakPolarHBondContact O-CB 3.14Å; M710-V714 WeakPolarHBondContact O-CG2 3.13Å; M710-V714 PolarHBondContact O-N 2.91Å; E711-V714 PolarHBondContact O-N 3.47Å; V714-I716 VanDerWaalsContact C-N 3.29Å; V714-I716 PolarHBondContact O-N 2.83Å; V714-F717 PolarHBondContact O-N 2.82Å; V714-R718 HydrophobicContact CG1-CG 4.38Å; V714-R718 WeakPolarHBondContact O-CB 3.4Å; V714-R718 VanDerWaalsContact O-CG 3.31Å; V714-R718 WeakPolarHBondContact O-CG 3.42Å; V714-R718 PolarHBondContact O-N 2.88Å; V714-V742 HydrophobicContact CG2-CG1 3.69Å
715	D	86.8	Confident	87.5	Confident	50 Å²	50	41.7 Å²	41.7	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-35.8	178	-107.7	25.9	0	0	0	113.5	E711 T712 V713 R718 K719	E711-D715 WeakPolarHBondContact O-CB 3.46Å; E711-D715 PolarHBondContact O-N 3.45Å; T712-D715 PolarHBondContact O-N 3.46Å; V713-D715 VanDerWaalsContact C-N 3.31Å; V713-D715 PolarHBondContact O-N 2.83Å; D715-R718 WeakPolarHBondContact O-CB 3.45Å; D715-R718 IonicContact OD1-NH1 3.71Å; D715-K719 WeakPolarHBondContact O-CB 3.46Å; D715-K719 WeakPolarHBondContact O-CG 3.49Å; D715-K719 PolarHBondContact O-N 2.99Å; D715-K719 IonicContact OD2-NZ 2.61Å; D715-K719 PolarHBondContact OD2-NZ 3.35Å
716	I	88.5	Confident	87.5	Confident	32 Å²	32	38 Å²	38	16%	0.164	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-48.6	174.2	-71	163.4	0	0	0	110.2	F702 V704 T712 V713 V714 R718 L720 L722	F702-I716 HydrophobicContact CD1-CG2 3.98Å; F702-I716 HydrophobicContact CE1-CD1 3.9Å; F702-I716 HydrophobicContact CE1-CG1 4.42Å; F702-I716 HydrophobicContact CE1-CG2 3.41Å; F702-I716 VanDerWaalsContact CE1-CG2 3.41Å; F702-I716 HydrophobicContact CE2-CG2 4.28Å; F702-I716 HydrophobicContact CZ-CD1 4.06Å; F702-I716 HydrophobicContact CZ-CG1 4.28Å; F702-I716 HydrophobicContact CZ-CG2 3.57Å; V704-I716 HydrophobicContact CG1-CD1 4.18Å; T712-I716 HydrophobicContact CG2-CD1 3.98Å; T712-I716 WeakPolarHBondContact O-CB 3.33Å; T712-I716 WeakPolarHBondContact O-CD1 2.95Å; T712-I716 WeakPolarHBondContact O-CG1 3.36Å; T712-I716 PolarHBondContact O-N 2.97Å; V713-I716 WeakPolarHBondContact O-CB 3.36Å; V713-I716 PolarHBondContact O-N 3.18Å; V713-I716 VanDerWaalsContact O-N 3.16Å; V714-I716 VanDerWaalsContact C-N 3.29Å; V714-I716 PolarHBondContact O-N 2.83Å; I716-R718 PolarHBondContact O-N 3.36Å; I716-L720 HydrophobicContact CG2-CD1 4.03Å; I716-L720 WeakPolarHBondContact O-CB 3.43Å; I716-L720 PolarHBondContact O-N 3.27Å; I716-L722 HydrophobicContact CG2-CD1 3.38Å; I716-L722 HydrophobicContact CG2-CG 4.17Å
717	F	86.4	Confident	87.6	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.035	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-40.1	177.1	-92.8	-87.2	0	0	0	112.1	L584 V713 V714 G721 L722 C725 I737 K739 V742	L584-F717 HydrophobicContact CD2-CB 4.07Å; V713-F717 HydrophobicContact CG1-CD2 3.79Å; V713-F717 HydrophobicContact CG1-CE2 3.79Å; V713-F717 VanDerWaalsContact O-CD2 3.31Å; V713-F717 WeakPolarHBondContact O-CD2 3.27Å; V713-F717 PolarHBondContact O-N 3.42Å; V714-F717 PolarHBondContact O-N 2.82Å; F717-G721 WeakPolarHBondContact O-CA 3.22Å; F717-G721 PolarHBondContact O-N 3.23Å; F717-G721 VanDerWaalsContact O-N 3.14Å; F717-L722 HydrophobicContact CD1-CB 4.01Å; F717-L722 WeakPolarHBondContact CD1-O 3.16Å; F717-L722 HydrophobicContact CE1-CB 4.09Å; F717-L722 WeakPolarHBondContact CE1-O 3.29Å; F717-L722 HydrophobicContact CG-CB 4.45Å; F717-L722 PolarHBondContact O-N 3.48Å; F717-C725 HydrophobicContact CE2-CB 3.73Å; F717-C725 HydrophobicContact CZ-CB 3.83Å; F717-I737 HydrophobicContact CE2-CB 4.38Å; F717-I737 HydrophobicContact CE2-CG2 3.78Å; F717-I737 HydrophobicContact CZ-CB 4.42Å; F717-I737 HydrophobicContact CZ-CG2 3.94Å; F717-I737 WeakPolarHBondContact CZ-O 3.42Å; F717-K739 HydrophobicContact CD1-CB 4.19Å; F717-K739 HydrophobicContact CE1-CB 4.25Å; F717-V742 HydrophobicContact CD2-CG2 4Å; F717-V742 HydrophobicContact CE2-CG2 4.08Å; F717-V742 HydrophobicContact CG-CG2 4.32Å; F717-V742 HydrophobicContact CZ-CG2 4.46Å
718	R	81.8	Confident	87.7	Confident	9 Å²	9	33 Å²	33	3%	0.034	17%	0.171	C	C	.	.	H	α-helix	trans	-58.1	-81.1	169.2	-84.2	178.6	-174.2	162.1	-3.2	109.7	Y284 L584 D585 D588 V714 D715 I716 L720 G721	Y284-R718 WeakPolarHBondContact CE1-O 3.47Å; Y284-R718 HydrophobicContact CE2-CG 4.48Å; Y284-R718 WeakPolarHBondContact OH-CA 3.42Å; Y284-R718 WeakPolarHBondContact OH-CB 3.45Å; Y284-R718 PolarHBondContact OH-O 3.42Å; L584-R718 HydrophobicContact CD2-CG 3.52Å; L584-R718 HydrophobicContact CG-CG 3.77Å; D585-R718 PolarHBondContact O-NE 3.25Å; D585-R718 PolarHBondContact O-NH2 3.35Å; D588-R718 PolarHBondContact O-NH1 3.45Å; D588-R718 PolarHBondContact O-NH2 3Å; V714-R718 HydrophobicContact CG1-CG 4.38Å; V714-R718 WeakPolarHBondContact O-CB 3.4Å; V714-R718 VanDerWaalsContact O-CG 3.31Å; V714-R718 WeakPolarHBondContact O-CG 3.42Å; V714-R718 PolarHBondContact O-N 2.88Å; D715-R718 WeakPolarHBondContact O-CB 3.45Å; D715-R718 IonicContact OD1-NH1 3.71Å; I716-R718 PolarHBondContact O-N 3.36Å; R718-L720 VanDerWaalsContact C-N 3.29Å; R718-L720 PolarHBondContact O-N 2.75Å; R718-L720 VanDerWaalsContact O-N 3.15Å; R718-G721 PolarHBondContact O-N 3.46Å
719	K	80.6	Confident	87.7	Confident	136 Å²	136	37.8 Å²	37.8	59%	0.591	19%	0.187	S	C	*	.	H	α-helix	trans	-61.3	-33.6	-163.6	-70.2	166.3	175.9	159.4	0	113.8	Y284 D715	Y284-K719 PolarHBondContact OH-N 3.41Å; D715-K719 WeakPolarHBondContact O-CB 3.46Å; D715-K719 WeakPolarHBondContact O-CG 3.49Å; D715-K719 PolarHBondContact O-N 2.99Å; D715-K719 IonicContact OD2-NZ 2.61Å; D715-K719 PolarHBondContact OD2-NZ 3.35Å
720	L	80.7	Confident	87.6	Confident	64 Å²	64	40.6 Å²	40.6	34%	0.335	21%	0.208	S	C	.	.	H	α-helix	trans	-95.4	-10.6	179.4	-58.5	-178.4	0	0	0	113.2	W35 F702 I716 R718 L722	W35-L720 WeakPolarHBondContact CB-O 3.26Å; F702-L720 HydrophobicContact CD2-CD1 3.9Å; F702-L720 HydrophobicContact CE2-CD1 3.38Å; F702-L720 HydrophobicContact CZ-CD1 3.99Å; I716-L720 HydrophobicContact CG2-CD1 4.03Å; I716-L720 WeakPolarHBondContact O-CB 3.43Å; I716-L720 PolarHBondContact O-N 3.27Å; R718-L720 VanDerWaalsContact C-N 3.29Å; R718-L720 PolarHBondContact O-N 2.75Å; R718-L720 VanDerWaalsContact O-N 3.15Å; L720-L722 VanDerWaalsContact C-N 3.32Å; L720-L722 HydrophobicContact CB-CD2 3.89Å; L720-L722 HydrophobicContact CB-CG 3.99Å; L720-L722 HydrophobicContact CD1-CD2 4.39Å; L720-L722 PolarHBondContact O-N 3.02Å
721	G	76.5	Confident	87.5	Confident	15 Å²	15	42.4 Å²	42.4	16%	0.155	23%	0.227	C	C	.	.			trans	60	40.5	-175.9	0	0	0	0	0	112.9	W35 F717 R718	W35-G721 VanDerWaalsContact CD1-CA 3.46Å; W35-G721 VanDerWaalsContact CD1-O 3.26Å; F717-G721 WeakPolarHBondContact O-CA 3.22Å; F717-G721 PolarHBondContact O-N 3.23Å; F717-G721 VanDerWaalsContact O-N 3.14Å; R718-G721 PolarHBondContact O-N 3.46Å
722	L	81.8	Confident	87.7	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.042	22%	0.224	C	C	.	.			trans	-64.5	140.4	-177.9	-61.1	-173.3	0	0	0	111.4	L36 F702 I716 F717 L720 C725	L36-L722 HydrophobicContact CD1-CD2 3.4Å; L36-L722 VanDerWaalsContact CD1-CD2 3.4Å; L36-L722 HydrophobicContact CG-CD2 4.11Å; F702-L722 HydrophobicContact CB-CD1 3.79Å; F702-L722 HydrophobicContact CB-CD2 4.25Å; F702-L722 HydrophobicContact CD1-CD1 3.59Å; F702-L722 HydrophobicContact CD2-CD1 4.18Å; F702-L722 HydrophobicContact CD2-CD2 4.47Å; F702-L722 HydrophobicContact CE1-CD1 4.24Å; F702-L722 HydrophobicContact CG-CD1 3.56Å; F702-L722 HydrophobicContact CG-CD2 4.37Å; I716-L722 HydrophobicContact CG2-CD1 3.38Å; I716-L722 HydrophobicContact CG2-CG 4.17Å; F717-L722 HydrophobicContact CD1-CB 4.01Å; F717-L722 WeakPolarHBondContact CD1-O 3.16Å; F717-L722 HydrophobicContact CE1-CB 4.09Å; F717-L722 WeakPolarHBondContact CE1-O 3.29Å; F717-L722 HydrophobicContact CG-CB 4.45Å; F717-L722 PolarHBondContact O-N 3.48Å; L720-L722 VanDerWaalsContact C-N 3.32Å; L720-L722 HydrophobicContact CB-CD2 3.89Å; L720-L722 HydrophobicContact CB-CG 3.99Å; L720-L722 HydrophobicContact CD1-CD2 4.39Å; L720-L722 PolarHBondContact O-N 3.02Å; L722-C725 HydrophobicContact CD1-CB 4.34Å
723	R	80.5	Confident	87.9	Confident	46 Å²	46	40.2 Å²	40.2	17%	0.174	21%	0.207	C	C	.	.	S	Bend	trans	-73.9	-40.7	167.6	-175.6	175.9	-172.6	-179.2	8.1	111.2	H31 N632 K739	H31-R723 PolarHBondContact ND1-NH2 3.02Å; H31-R723 VanDerWaalsContact ND1-NH2 3.16Å; N632-R723 VanDerWaalsContact CB-NH2 3.25Å; N632-R723 PolarHBondContact ND2-NH2 3.13Å; N632-R723 VanDerWaalsContact ND2-NH2 3.14Å; R723-K739 PolarHBondContact O-N 3.44Å
724	Q	88.6	Confident	88	Confident	43 Å²	43	42.8 Å²	42.8	20%	0.201	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.9	-174.6	69.9	-162.7	18.5	0	0	110	F648 I736 I737 T738	F648-Q724 VanDerWaalsContact CD1-NE2 3.3Å; Q724-I736 HydrophobicContact CB-CD1 4.01Å; Q724-I736 HydrophobicContact CB-CG1 4.16Å; Q724-I736 HydrophobicContact CG-CD1 4.19Å; Q724-I737 CarbonylContact C-O 3.52Å; Q724-I737 WeakPolarHBondContact CA-O 3.41Å; Q724-T738 HydrophobicContact CB-CG2 4.41Å
725	C	91.9	Very high	88.2	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.7	175.9	-180	0	0	0	0	109	F702 V704 F717 L722 I737	F702-C725 PolarHBondContact O-SG 3.4Å; V704-C725 VanDerWaalsContact CG1-SG 3.54Å; V704-C725 VanDerWaalsContact CG2-SG 3.58Å; F717-C725 HydrophobicContact CE2-CB 3.73Å; F717-C725 HydrophobicContact CZ-CB 3.83Å; L722-C725 HydrophobicContact CD1-CB 4.34Å; C725-I737 PolarHBondContact N-O 3.43Å; C725-I737 PolarHBondContact O-N 3.27Å
726	L	93.7	Very high	88.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.5	179.1	-61.2	176	0	0	0	110	P635 L645 F648 P701 F702 T703 V704 L733 I736	P635-L726 HydrophobicContact CB-CD1 4.44Å; P635-L726 HydrophobicContact CB-CD2 4.31Å; L645-L726 HydrophobicContact CD1-CD1 3.68Å; L645-L726 HydrophobicContact CD2-CB 4.28Å; L645-L726 HydrophobicContact CD2-CD1 3.6Å; L645-L726 HydrophobicContact CG-CD1 4.28Å; F648-L726 HydrophobicContact CD2-CD1 4.37Å; F648-L726 HydrophobicContact CD2-CD2 4.38Å; P701-L726 HydrophobicContact CB-CD1 3.75Å; P701-L726 HydrophobicContact CG-CD1 3.8Å; F702-L726 PolarHBondContact O-N 3.42Å; T703-L726 CarbonylContact C-O 3.54Å; T703-L726 WeakPolarHBondContact CA-O 3.29Å; T703-L726 HydrophobicContact CG2-CB 4Å; V704-L726 PolarHBondContact N-O 3.43Å; L726-L733 HydrophobicContact CB-CD1 4.11Å; L726-L733 HydrophobicContact CD2-CD1 4.14Å; L726-I736 HydrophobicContact CD2-CB 4.11Å; L726-I736 HydrophobicContact CD2-CD1 3.84Å; L726-I736 HydrophobicContact CD2-CG1 3.88Å
727	V	94.9	Very high	88.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.1	177.1	-173.7	0	0	0	0	108.8	A596 M600 V704 D706 L734 G735 I737	A596-V727 HydrophobicContact CB-CG2 4.46Å; M600-V727 HydrophobicContact CB-CB 4.43Å; M600-V727 HydrophobicContact CB-CG2 3.82Å; M600-V727 HydrophobicContact SD-CB 3.74Å; M600-V727 HydrophobicContact SD-CG1 3.61Å; M600-V727 HydrophobicContact SD-CG2 4.12Å; V704-V727 HydrophobicContact CG2-CG2 3.96Å; V704-V727 WeakPolarHBondContact O-CA 3.37Å; D706-V727 HydrophobicContact CB-CG1 3.86Å; V727-L734 PolarHBondContact O-N 3.22Å; V727-G735 PolarHBondContact N-O 2.84Å; V727-G735 PolarHBondContact O-N 3.42Å; V727-I737 HydrophobicContact CG2-CD1 3.57Å; V727-I737 HydrophobicContact CG2-CG1 3.78Å
728	T	94.3	Very high	88.8	Confident	17 Å²	17	41.3 Å²	41.3	10%	0.104	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.9	-177	64.4	0	0	0	0	111.7	L645 T703 V704 T705 D706 R732	L645-T728 HydrophobicContact CD2-CG2 3.87Å; T703-T728 HydrophobicContact CG2-CG2 3.95Å; V704-T728 PolarHBondContact O-N 3.06Å; T705-T728 WeakPolarHBondContact CA-O 3.4Å; D706-T728 PolarHBondContact N-O 3.24Å; T728-R732 CarbonylContact C-O 3.53Å; T728-R732 WeakPolarHBondContact CA-O 3.42Å; T728-R732 WeakPolarHBondContact CB-O 3.42Å
729	R	94.1	Very high	88.8	Confident	119 Å²	119	42.1 Å²	42.1	45%	0.449	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	116.4	168.7	179.6	-179.3	-90	-177.1	-7.7	108.5	D706 H707 G731 R732 L734	D706-R729 VanDerWaalsContact CG-NE 3.29Å; D706-R729 IonicContact OD1-CZ 3.96Å; D706-R729 IonicContact OD1-NE 3.2Å; D706-R729 PolarHBondContact OD1-NE 3.12Å; D706-R729 IonicContact OD1-NH2 3.91Å; D706-R729 IonicContact OD2-CZ 2.94Å; D706-R729 IonicContact OD2-NE 2.91Å; D706-R729 PolarHBondContact OD2-NE 2.87Å; D706-R729 IonicContact OD2-NH1 3.99Å; D706-R729 IonicContact OD2-NH2 2.6Å; D706-R729 PolarHBondContact OD2-NH2 3.5Å; H707-R729 PolarHBondContact CE1-NH2 3.05Å; H707-R729 PolarHBondContact NE2-NH2 3.33Å; R729-G731 PolarHBondContact O-N 3.43Å; R729-R732 PolarHBondContact N-O 2.99Å; R729-R732 WeakPolarHBondContact O-CB 3.21Å; R729-R732 PolarHBondContact O-N 3Å; R729-L734 HydrophobicContact CB-CD1 3.63Å; R729-L734 HydrophobicContact CB-CG 4.21Å
730	S	90.9	Very high	88.9	Confident	124 Å²	124	41 Å²	41	87%	0.867	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.4	-177.8	-52.4	0	0	0	0	113.5	R732	S730-R732 VanDerWaalsContact C-N 3.25Å; S730-R732 PolarHBondContact O-N 2.88Å
731	G	88.3	Confident	89.2	Confident	39 Å²	39	38.9 Å²	38.9	40%	0.402	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-8.9	-178.8	0	0	0	0	0	115.6	R644 L645 R729	R644-G731 WeakPolarHBondContact CA-O 3.44Å; L645-G731 PolarHBondContact N-O 3.45Å; R729-G731 PolarHBondContact O-N 3.43Å
732	R	92.9	Very high	89.6	Confident	120 Å²	120	38.1 Å²	38.1	45%	0.453	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.6	171.6	-170.5	177.4	175.3	169.5	1.5	110.2	E643 T728 R729 S730	E643-R732 HydrophobicContact CB-CG 3.86Å; E643-R732 WeakPolarHBondContact O-CA 3.5Å; E643-R732 IonicContact OE2-CZ 3.19Å; E643-R732 IonicContact OE2-NE 2.82Å; E643-R732 PolarHBondContact OE2-NE 2.99Å; E643-R732 IonicContact OE2-NH2 2.71Å; E643-R732 PolarHBondContact OE2-NH2 3.12Å; T728-R732 CarbonylContact C-O 3.53Å; T728-R732 WeakPolarHBondContact CA-O 3.42Å; T728-R732 WeakPolarHBondContact CB-O 3.42Å; R729-R732 PolarHBondContact N-O 2.99Å; R729-R732 WeakPolarHBondContact O-CB 3.21Å; R729-R732 PolarHBondContact O-N 3Å; S730-R732 VanDerWaalsContact C-N 3.25Å; S730-R732 PolarHBondContact O-N 2.88Å
733	L	93.6	Very high	89.6	Confident	9 Å²	9	38.6 Å²	38.6	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.5	175	-178.8	66.6	0	0	0	110	L609 V611 P635 V637 E643 L645 L726	L609-L733 HydrophobicContact CD2-CD2 3.96Å; L609-L733 HydrophobicContact CD2-CG 4.47Å; V611-L733 HydrophobicContact CG1-CD2 3.97Å; P635-L733 HydrophobicContact CB-CD2 3.58Å; P635-L733 HydrophobicContact CG-CD2 3.55Å; V637-L733 HydrophobicContact CG1-CB 4.35Å; V637-L733 HydrophobicContact CG1-CD2 3.94Å; E643-L733 WeakPolarHBondContact O-CB 3.21Å; E643-L733 PolarHBondContact O-N 3Å; L645-L733 HydrophobicContact CD1-CD1 4.47Å; L726-L733 HydrophobicContact CB-CD1 4.11Å; L726-L733 HydrophobicContact CD2-CD1 4.14Å
734	L	92.2	Very high	89.6	Confident	56 Å²	56	40.5 Å²	40.5	29%	0.293	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-36.1	176.4	-64.4	-179.4	0	0	0	112.3	M600 D706 V727 R729	M600-L734 HydrophobicContact CE-CB 3.98Å; M600-L734 HydrophobicContact SD-CB 4.01Å; D706-L734 HydrophobicContact CB-CD1 3.71Å; V727-L734 PolarHBondContact O-N 3.22Å; R729-L734 HydrophobicContact CB-CD1 3.63Å; R729-L734 HydrophobicContact CB-CG 4.21Å
735	G	92.8	Very high	89.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-176.2	-176.8	0	0	0	0	0	113.3	R601 V727	R601-G735 CarbonylContact O-C 3.45Å; R601-G735 WeakPolarHBondContact O-CA 3.27Å; V727-G735 PolarHBondContact N-O 2.84Å; V727-G735 PolarHBondContact O-N 3.42Å
736	I	93	Very high	88.8	Confident	21 Å²	21	40.9 Å²	40.9	11%	0.108	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	177	-169.4	164.8	0	0	0	109	R601 L609 F648 Q724 L726 T738	R601-I736 PolarHBondContact N-O 3.38Å; R601-I736 PolarHBondContact O-N 3.21Å; L609-I736 HydrophobicContact CD1-CG2 3.85Å; F648-I736 HydrophobicContact CE2-CD1 4.23Å; Q724-I736 HydrophobicContact CB-CD1 4.01Å; Q724-I736 HydrophobicContact CB-CG1 4.16Å; Q724-I736 HydrophobicContact CG-CD1 4.19Å; L726-I736 HydrophobicContact CD2-CB 4.11Å; L726-I736 HydrophobicContact CD2-CD1 3.84Å; L726-I736 HydrophobicContact CD2-CG1 3.88Å; I736-T738 HydrophobicContact CG1-CG2 4.49Å
737	I	92.6	Very high	87.9	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.5	168.9	-63.7	170.2	0	0	0	106.2	A596 M600 V713 F717 Q724 C725 V727 V742	A596-I737 HydrophobicContact CB-CD1 3.93Å; M600-I737 HydrophobicContact CB-CD1 4.31Å; M600-I737 HydrophobicContact CB-CG1 3.76Å; V713-I737 HydrophobicContact CG1-CD1 4.18Å; V713-I737 HydrophobicContact CG1-CG2 4.42Å; F717-I737 HydrophobicContact CE2-CB 4.38Å; F717-I737 HydrophobicContact CE2-CG2 3.78Å; F717-I737 HydrophobicContact CZ-CB 4.42Å; F717-I737 HydrophobicContact CZ-CG2 3.94Å; F717-I737 WeakPolarHBondContact CZ-O 3.42Å; Q724-I737 CarbonylContact C-O 3.52Å; Q724-I737 WeakPolarHBondContact CA-O 3.41Å; C725-I737 PolarHBondContact N-O 3.43Å; C725-I737 PolarHBondContact O-N 3.27Å; V727-I737 HydrophobicContact CG2-CD1 3.57Å; V727-I737 HydrophobicContact CG2-CG1 3.78Å; I737-V742 HydrophobicContact CG2-CG2 3.64Å
738	T	89	Confident	87.1	Confident	39 Å²	39	44.4 Å²	44.4	24%	0.239	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	163.7	172.1	71.5	0	0	0	0	110.8	Q724 I736 K740 D741 V742	Q724-T738 HydrophobicContact CB-CG2 4.41Å; I736-T738 HydrophobicContact CG1-CG2 4.49Å; T738-K740 PolarHBondContact O-N 3.22Å; T738-K740 VanDerWaalsContact O-N 3.15Å; T738-K740 PolarHBondContact OG1-N 3.17Å; T738-D741 WeakPolarHBondContact CB-OD2 3.37Å; T738-D741 PolarHBondContact N-OD2 3.31Å; T738-D741 PolarHBondContact O-N 2.99Å; T738-D741 PolarHBondContact OG1-N 3.5Å; T738-D741 PolarHBondContact OG1-OD2 3.47Å; T738-V742 PolarHBondContact O-N 3.32Å; T738-V742 VanDerWaalsContact O-N 3.15Å
739	K	82.9	Confident	86.2	Confident	26 Å²	26	46.8 Å²	46.8	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-54.8	-33.4	173.1	-171.7	178.8	-179.1	-175.6	0	112	T32 P582 F717 R723 V742 L743	T32-K739 HydrophobicContact CG2-CD 4.23Å; P582-K739 PolarHBondContact O-NZ 3.13Å; F717-K739 HydrophobicContact CD1-CB 4.19Å; F717-K739 HydrophobicContact CE1-CB 4.25Å; R723-K739 PolarHBondContact O-N 3.44Å; K739-V742 PolarHBondContact O-N 3.26Å; K739-L743 HydrophobicContact CG-CD1 4.3Å; K739-L743 VanDerWaalsContact O-CG 3.31Å; K739-L743 WeakPolarHBondContact O-CG 3.32Å; K739-L743 PolarHBondContact O-N 3.48Å
740	K	81.5	Confident	84.9	Confident	112 Å²	112	43.9 Å²	43.9	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-66.2	-40.6	176.9	-66.3	-173.1	176.7	-174.6	0	112	T738 V742 L743 R744 F759	T738-K740 PolarHBondContact O-N 3.22Å; T738-K740 VanDerWaalsContact O-N 3.15Å; T738-K740 PolarHBondContact OG1-N 3.17Å; K740-V742 VanDerWaalsContact C-N 3.34Å; K740-L743 PolarHBondContact O-N 2.95Å; K740-R744 VanDerWaalsContact O-CB 3.32Å; K740-R744 WeakPolarHBondContact O-CB 3.03Å; K740-R744 PolarHBondContact O-N 3.26Å; K740-F759 HydrophobicContact CB-CE2 4.45Å; K740-F759 HydrophobicContact CD-CD2 3.91Å; K740-F759 HydrophobicContact CD-CE2 3.87Å; K740-F759 HydrophobicContact CG-CD2 4.39Å; K740-F759 HydrophobicContact CG-CE2 3.83Å; K740-F759 HydrophobicContact CG-CZ 4.27Å
741	D	86.5	Confident	83.6	Confident	19 Å²	19	45.5 Å²	45.5	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-40.2	178.7	-58.2	-54.2	0	0	0	111.3	V599 T738 R744 H745	V599-D741 HydrophobicContact CG1-CB 4.13Å; T738-D741 WeakPolarHBondContact CB-OD2 3.37Å; T738-D741 PolarHBondContact N-OD2 3.31Å; T738-D741 PolarHBondContact O-N 2.99Å; T738-D741 PolarHBondContact OG1-N 3.5Å; T738-D741 PolarHBondContact OG1-OD2 3.47Å; D741-R744 PolarHBondContact O-N 3.45Å; D741-H745 VanDerWaalsContact O-CB 3.29Å; D741-H745 WeakPolarHBondContact O-CB 3.5Å; D741-H745 PolarHBondContact O-N 3.38Å
742	V	86.6	Confident	82.4	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-50.5	174.3	178	0	0	0	0	111	L584 M710 V714 F717 I737 T738 K739 K740 R744 H745 M746	L584-V742 HydrophobicContact CD1-CG1 4.42Å; M710-V742 HydrophobicContact CE-CG2 4.32Å; V714-V742 HydrophobicContact CG2-CG1 3.69Å; F717-V742 HydrophobicContact CD2-CG2 4Å; F717-V742 HydrophobicContact CE2-CG2 4.08Å; F717-V742 HydrophobicContact CG-CG2 4.32Å; F717-V742 HydrophobicContact CZ-CG2 4.46Å; I737-V742 HydrophobicContact CG2-CG2 3.64Å; T738-V742 PolarHBondContact O-N 3.32Å; T738-V742 VanDerWaalsContact O-N 3.15Å; K739-V742 PolarHBondContact O-N 3.26Å; K740-V742 VanDerWaalsContact C-N 3.34Å; V742-R744 PolarHBondContact O-N 3.36Å; V742-H745 PolarHBondContact O-N 2.93Å; V742-M746 HydrophobicContact CG1-SD 4.11Å; V742-M746 WeakPolarHBondContact O-CG 3.41Å; V742-M746 PolarHBondContact O-N 3.34Å
743	L	81.7	Confident	80.5	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.089	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-43.4	179.5	-70.9	171.5	0	0	0	112.1	P582 F583 L584 K739 K740 H745 M746 A747	P582-L743 HydrophobicContact CB-CD1 3.72Å; F583-L743 WeakPolarHBondContact O-CD2 3.02Å; L584-L743 HydrophobicContact CB-CD2 4.27Å; L584-L743 HydrophobicContact CD1-CD2 4Å; K739-L743 HydrophobicContact CG-CD1 4.3Å; K739-L743 VanDerWaalsContact O-CG 3.31Å; K739-L743 WeakPolarHBondContact O-CG 3.32Å; K739-L743 PolarHBondContact O-N 3.48Å; K740-L743 PolarHBondContact O-N 2.95Å; L743-H745 VanDerWaalsContact C-N 3.34Å; L743-H745 PolarHBondContact O-N 3.13Å; L743-M746 PolarHBondContact O-N 3.08Å; L743-A747 WeakPolarHBondContact O-CB 3.36Å; L743-A747 PolarHBondContact O-N 3Å
744	R	80.6	Confident	78.6	Confident	87 Å²	87	49.8 Å²	49.8	33%	0.328	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-42.8	177.1	-174.3	-177.2	-74.6	156.9	-12.1	111.1	K740 D741 V742 A747 Q748 P754	K740-R744 VanDerWaalsContact O-CB 3.32Å; K740-R744 WeakPolarHBondContact O-CB 3.03Å; K740-R744 PolarHBondContact O-N 3.26Å; D741-R744 PolarHBondContact O-N 3.45Å; V742-R744 PolarHBondContact O-N 3.36Å; R744-A747 PolarHBondContact O-N 3.05Å; R744-Q748 VanDerWaalsContact O-CG 3.29Å; R744-Q748 WeakPolarHBondContact O-CG 3.47Å; R744-Q748 PolarHBondContact O-N 3.15Å; R744-P754 HydrophobicContact CG-CB 3.87Å
745	H	83	Confident	76.7	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.065	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-45.2	177	-174.5	65.3	0	0	0	111.7	F590 T594 V599 D741 V742 L743 A747 Q748 M749	F590-H745 AromaticContact CZ-CD2 3.93Å; F590-H745 AromaticContact CZ-NE2 3.95Å; T594-H745 PolarHBondContact OG1-NE2 3.05Å; V599-H745 HydrophobicContact CG1-CB 4.03Å; V599-H745 HydrophobicContact CG2-CB 4.13Å; D741-H745 VanDerWaalsContact O-CB 3.29Å; D741-H745 WeakPolarHBondContact O-CB 3.5Å; D741-H745 PolarHBondContact O-N 3.38Å; V742-H745 PolarHBondContact O-N 2.93Å; L743-H745 VanDerWaalsContact C-N 3.34Å; L743-H745 PolarHBondContact O-N 3.13Å; H745-A747 VanDerWaalsContact C-N 3.3Å; H745-A747 PolarHBondContact O-N 3.07Å; H745-Q748 PolarHBondContact O-N 3.24Å; H745-M749 VanDerWaalsContact O-CG 3.3Å; H745-M749 WeakPolarHBondContact O-CG 3.4Å; H745-M749 PolarHBondContact O-N 2.91Å
746	M	79.3	Confident	74.6	Confident	38 Å²	38	57.6 Å²	57.6	19%	0.187	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-41.8	175.6	-71.2	177.8	68.9	0	0	112	L584 F590 V742 L743 M749 A750	L584-M746 HydrophobicContact CD1-CE 4.15Å; L584-M746 HydrophobicContact CD1-SD 3.47Å; L584-M746 WeakPolarHBondContact CD1-SD 3.38Å; F590-M746 HydrophobicContact CD2-CG 4.16Å; F590-M746 HydrophobicContact CE2-CG 4.08Å; V742-M746 HydrophobicContact CG1-SD 4.11Å; V742-M746 WeakPolarHBondContact O-CG 3.41Å; V742-M746 PolarHBondContact O-N 3.34Å; L743-M746 PolarHBondContact O-N 3.08Å; M746-M749 PolarHBondContact O-N 2.96Å; M746-A750 WeakPolarHBondContact O-CB 3.38Å; M746-A750 PolarHBondContact O-N 2.03Å
747	A	75.3	Confident	72.7	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-42.4	177	0	0	0	0	0	113	L743 R744 H745 M749 A750 N751 Q752 I757	L743-A747 WeakPolarHBondContact O-CB 3.36Å; L743-A747 PolarHBondContact O-N 3Å; R744-A747 PolarHBondContact O-N 3.05Å; H745-A747 VanDerWaalsContact C-N 3.3Å; H745-A747 PolarHBondContact O-N 3.07Å; A747-M749 VanDerWaalsContact C-N 3.32Å; A747-M749 PolarHBondContact O-N 2.03Å; A747-A750 CarbonylContact O-C 3.56Å; A747-A750 PolarHBondContact O-N 3.15Å; A747-A750 VanDerWaalsContact O-N 3.16Å; A747-N751 PolarHBondContact O-N 3.34Å; A747-Q752 HydrophobicContact CB-CB 4.39Å; A747-Q752 PolarHBondContact O-N 3Å; A747-I757 HydrophobicContact CB-CD1 3.33Å; A747-I757 HydrophobicContact CB-CG1 4.48Å
748	Q	78.3	Confident	70.2	Confident	71 Å²	71	63.7 Å²	63.7	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-45.3	174.4	-73.7	176.8	-10.2	0	0	111.2	R744 H745 A750 N751 P754	R744-Q748 VanDerWaalsContact O-CG 3.29Å; R744-Q748 WeakPolarHBondContact O-CG 3.47Å; R744-Q748 PolarHBondContact O-N 3.15Å; H745-Q748 PolarHBondContact O-N 3.24Å; Q748-A750 VanDerWaalsContact C-N 3.25Å; Q748-A750 PolarHBondContact O-N 3.45Å; Q748-N751 PolarHBondContact O-N 2.93Å; Q748-N751 VanDerWaalsContact O-N 3.17Å; Q748-P754 HydrophobicContact CG-CB 3.74Å; Q748-P754 HydrophobicContact CG-CG 4Å
749	M	74.3	Confident	68.2	Low	68 Å²	68	64.9 Å²	64.9	34%	0.335	33%	0.333	S	S	.	.	H	α-helix	trans	-67.1	-27.3	178.4	-67.2	-56.2	-62.9	0	0	112.9	H592 H745 M746 A747 N751	H592-M749 HydrophobicContact CB-CE 3.89Å; H592-M749 WeakPolarHBondContact ND1-CE 3.49Å; H745-M749 VanDerWaalsContact O-CG 3.3Å; H745-M749 WeakPolarHBondContact O-CG 3.4Å; H745-M749 PolarHBondContact O-N 2.91Å; M746-M749 PolarHBondContact O-N 2.96Å; A747-M749 VanDerWaalsContact C-N 3.32Å; A747-M749 PolarHBondContact O-N 2.03Å; M749-N751 VanDerWaalsContact C-N 3.28Å; M749-N751 PolarHBondContact O-N 3.37Å
750	A	66.9	Low	65.8	Low	57 Å²	57	74.5 Å²	74.5	47%	0.471	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	7.1	175.3	0	0	0	0	0	114.1	M746 A747 Q748 Q752	M746-A750 WeakPolarHBondContact O-CB 3.38Å; M746-A750 PolarHBondContact O-N 2.03Å; A747-A750 CarbonylContact O-C 3.56Å; A747-A750 PolarHBondContact O-N 3.15Å; A747-A750 VanDerWaalsContact O-N 3.16Å; Q748-A750 VanDerWaalsContact C-N 3.25Å; Q748-A750 PolarHBondContact O-N 3.45Å; A750-Q752 HydrophobicContact CB-CG 4.1Å; A750-Q752 PolarHBondContact O-N 3.24Å
751	N	65.2	Low	65	Low	159 Å²	159	72.7 Å²	72.7	85%	0.85	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.4	-172	-66.8	-33.1	0	0	0	113.6	A747 Q748 M749	A747-N751 PolarHBondContact O-N 3.34Å; Q748-N751 PolarHBondContact O-N 2.93Å; Q748-N751 VanDerWaalsContact O-N 3.17Å; M749-N751 VanDerWaalsContact C-N 3.28Å; M749-N751 PolarHBondContact O-N 3.37Å
752	Q	63.2	Low	63.9	Low	90 Å²	90	75.5 Å²	75.5	42%	0.421	40%	0.395	S	S	.	.			trans	-93.1	146.9	172.3	-64.1	-179.4	-2.1	0	0	109.1	A747 A750 P754	A747-Q752 HydrophobicContact CB-CB 4.39Å; A747-Q752 PolarHBondContact O-N 3Å; A750-Q752 HydrophobicContact CB-CG 4.1Å; A750-Q752 PolarHBondContact O-N 3.24Å; Q752-P754 WeakPolarHBondContact O-CD 3.48Å
753	D	51.8	Low	62.6	Low	127 Å²	127	79.7 Å²	79.7	68%	0.679	42%	0.417	S	S	*	.			trans	-58.5	114.6	177	-82.3	-31.4	0	0	0	109.5	E755 S756	D753-E755 PolarHBondContact O-N 3.17Å; D753-E755 VanDerWaalsContact O-N 3.13Å; D753-S756 VanDerWaalsContact O-CB 3.3Å; D753-S756 WeakPolarHBondContact O-CB 3.2Å; D753-S756 PolarHBondContact O-N 3.03Å; D753-S756 PolarHBondContact O-OG 3.4Å
754	P	54.2	Low	61.5	Low	41 Å²	41	83.4 Å²	83.4	27%	0.266	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-65.7	-19.6	-178.2	24.6	-32.2	0	0	0	112.4	R744 Q748 Q752	R744-P754 HydrophobicContact CG-CB 3.87Å; Q748-P754 HydrophobicContact CG-CB 3.74Å; Q748-P754 HydrophobicContact CG-CG 4Å; Q752-P754 WeakPolarHBondContact O-CD 3.48Å
755	E	52.4	Low	60.3	Low	142 Å²	142	83.1 Å²	83.1	66%	0.664	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-81.5	-13.2	173.6	-63	-151.1	168.4	0	0	113.5	D753 I757 M758	D753-E755 PolarHBondContact O-N 3.17Å; D753-E755 VanDerWaalsContact O-N 3.13Å; E755-I757 PolarHBondContact O-N 3.48Å; E755-M758 HydrophobicContact CB-CG 3.88Å; E755-M758 HydrophobicContact CG-CG 4.38Å; E755-M758 WeakPolarHBondContact O-CB 3.04Å; E755-M758 WeakPolarHBondContact O-CG 3.3Å; E755-M758 PolarHBondContact O-N 3.16Å
756	S	48.5	Very low	58.8	Low	77 Å²	77	87.7 Å²	87.7	54%	0.538	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-68.1	-17.2	172	70.7	0	0	0	0	112.8	D753 M758	D753-S756 VanDerWaalsContact O-CB 3.3Å; D753-S756 WeakPolarHBondContact O-CB 3.2Å; D753-S756 PolarHBondContact O-N 3.03Å; D753-S756 PolarHBondContact O-OG 3.4Å; S756-M758 VanDerWaalsContact C-N 3.25Å
757	I	52.2	Low	57.3	Low	37 Å²	37	91.3 Å²	91.3	19%	0.19	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-90.7	13.4	173.5	-51.9	178.4	0	0	0	110.3	A747 E755 F759	A747-I757 HydrophobicContact CB-CD1 3.33Å; A747-I757 HydrophobicContact CB-CG1 4.48Å; E755-I757 PolarHBondContact O-N 3.48Å; I757-F759 HydrophobicContact CG2-CE2 3.97Å; I757-F759 HydrophobicContact CG2-CZ 3.92Å; I757-F759 VanDerWaalsContact O-CD2 3.24Å; I757-F759 WeakPolarHBondContact O-CD2 2.95Å; I757-F759 WeakPolarHBondContact O-CE2 3.14Å; I757-F759 PolarHBondContact O-N 2.73Å
758	M	40.1	Very low	55.9	Low	113 Å²	113	98 Å²	98	56%	0.557	52%	0.523	S	S	*	.			trans	-68.4	109.3	-179.2	-73.8	-96.9	-88.1	0	0	111.4	E755 S756	E755-M758 HydrophobicContact CB-CG 3.88Å; E755-M758 HydrophobicContact CG-CG 4.38Å; E755-M758 WeakPolarHBondContact O-CB 3.04Å; E755-M758 WeakPolarHBondContact O-CG 3.3Å; E755-M758 PolarHBondContact O-N 3.16Å; S756-M758 VanDerWaalsContact C-N 3.25Å
759	F	48.4	Very low	54.1	Low	63 Å²	63	100.3 Å²	100.3	28%	0.276	54%	0.539	S	S	.	.			trans	-62.9	123.7	161.4	-50.5	-82.1	0	0	0	109.2	P582 K740 I757	P582-F759 HydrophobicContact CB-CE1 3.62Å; P582-F759 HydrophobicContact CB-CZ 3.74Å; P582-F759 HydrophobicContact CG-CE1 3.71Å; P582-F759 HydrophobicContact CG-CZ 4.35Å; K740-F759 HydrophobicContact CB-CE2 4.45Å; K740-F759 HydrophobicContact CD-CD2 3.91Å; K740-F759 HydrophobicContact CD-CE2 3.87Å; K740-F759 HydrophobicContact CG-CD2 4.39Å; K740-F759 HydrophobicContact CG-CE2 3.83Å; K740-F759 HydrophobicContact CG-CZ 4.27Å; I757-F759 HydrophobicContact CG2-CE2 3.97Å; I757-F759 HydrophobicContact CG2-CZ 3.92Å; I757-F759 VanDerWaalsContact O-CD2 3.24Å; I757-F759 WeakPolarHBondContact O-CD2 2.95Å; I757-F759 WeakPolarHBondContact O-CE2 3.14Å; I757-F759 PolarHBondContact O-N 2.73Å
760	N	31.8	Very low	52.2	Low	229 Å²	229	103.2 Å²	103.2	100%	1.225	56%	0.558	S	S	*	*			trans	-88.4	0	149.2	-83.6	-9.3	0	0	0	108.5

Retrieved 760 of 760 residues in 466.5 ms (Link to these results)

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