A0A3Q0KIV9_SCHMA Loading...

Putative programmed cell death 6-interacting protein

AlphaFold DB , UniProt , Accession A0A3Q0KIV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 854 aa.

						>A0A3Q0KIV9_SCHMA|A0A3Q0KIV9
MNFLSIPLKKSASVDLSSQFQQLIALQYGALTANACVGSLSELALMRTVACVKGDNYNPTVEAIASYHDAMYQLEGRLNVNIASRIDFKWSDISGKSNKKESSLKFERSNVLFCYGAAHSQLGESCRPNCENSLQQALKSFKIASCTFDYISSDLMSGVKDPLPDLTPSSLTLFSNLMLAQAYECVLSKAEKDKKKPGILARIASTLTNLYEDCLSECSGGAKNVVPKDWSGVLSMKKGLYEALTQYHQSKACCEAKQYGEQVARISFAYELIKGVARSSCFQRKNLVEQFKQEESVAVKDNDHIYHEKVPPRGSLAPVESVDVIKKTPLTFPLSSSNTKDYFENLLPMAVTEAVNTAKGVRASLIDSEICRLRGASTKVNEVLASYNLPAALLANGLSSITSNILSKASSVRRDGGAEKLYQQLLSIPECVQRNKEIIEAEKSSLDDEENSDNSLRKQYGERWSRKPSSELNKLWRSDIQKCLNLLEQTTKTDASLLDRYEKHKEHFEILSKPEDELQALIESDSKFPESGTEANNEELKSELTQLCNKLESIKTERNDLIEQLKLVDYSPDLVKKLLTYYREHNETIDLQIATDMLEEKMVSVRELIQENLNKQESLLNDLQTKADMFYGASDGNSKDKGLLTMLNLAADEYSALTEAVRDATKFYAELTEICVNTQCKIEDFCAARTTEKNELMSDIATNISRVRVSDQQVFPKPSVPTRPEPSYANRVNPVPPAHPQVPMPIPTIPMMNNNTYPMPPQPWNPQGYPVMPQPSPFGMAPYPAMYPFYGAYPTMPMPPNASFSSPNMMHPAHSMGANGAFPNVSGGITDPPAPAAGGGLQGQYLPGQPSAQP
					

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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	62.2	Low	88.1	Confident	65 Å²	65	41.7 Å²	41.7	32%	0.32	22%	0.219	S	C	.	.				0	124.8	0	-73.3	-177.7	-179.3	0	0	106	F3 E184 S188	M1-F3 HydrophobicContact CB-CZ 4.35Å; M1-F3 HydrophobicContact SD-CZ 4.33Å; M1-E184 HydrophobicContact SD-CB 4.26Å; M1-S188 WeakPolarHBondContact CE-OG 3.42Å; M1-S188 PolarHBondContact SD-OG 3.32Å
2	N	79.4	Confident	88.4	Confident	105 Å²	105	41.7 Å²	41.7	56%	0.561	23%	0.229	S	C	*	.			trans	-98.3	113	168.2	-83.6	20.3	0	0	0	107.3	K237 Q283	N2-K237 WeakPolarHBondContact O-CE 3.13Å; N2-K237 PolarHBondContact O-NZ 3.06Å; N2-Q283 PolarHBondContact ND2-NE2 2.92Å; N2-Q283 PolarHBondContact OD1-NE2 3.43Å; N2-Q283 PolarHBondContact OD1-OE1 3.47Å
3	F	90.8	Very high	88.5	Confident	11 Å²	11	46.4 Å²	46.4	5%	0.048	27%	0.266	C	S	.	.			trans	-79.2	151.3	173.5	-72.3	-52.3	0	0	0	109.5	M1 E124 F141 Q181 E184	M1-F3 HydrophobicContact CB-CZ 4.35Å; M1-F3 HydrophobicContact SD-CZ 4.33Å; F3-E124 HydrophobicContact CB-CB 4.19Å; F3-E124 HydrophobicContact CB-CG 4.19Å; F3-F141 HydrophobicContact CB-CZ 3.87Å; F3-F141 AromaticContact CD1-CE2 3.8Å; F3-F141 HydrophobicContact CD1-CE2 3.8Å; F3-F141 AromaticContact CD1-CZ 3.85Å; F3-F141 HydrophobicContact CD1-CZ 3.85Å; F3-F141 HydrophobicContact CD2-CE2 4.01Å; F3-F141 AromaticContact CD2-CZ 3.94Å; F3-F141 HydrophobicContact CD2-CZ 3.94Å; F3-F141 AromaticContact CE1-CE2 3.88Å; F3-F141 HydrophobicContact CE1-CE2 3.88Å; F3-F141 HydrophobicContact CE1-CZ 4.4Å; F3-F141 HydrophobicContact CE2-CE2 4.08Å; F3-F141 HydrophobicContact CE2-CZ 4.47Å; F3-F141 AromaticContact CG-CE2 3.88Å; F3-F141 HydrophobicContact CG-CE2 3.88Å; F3-F141 AromaticContact CG-CZ 3.6Å; F3-F141 HydrophobicContact CG-CZ 3.6Å; F3-F141 HydrophobicContact CZ-CE2 4.03Å; F3-Q181 VanDerWaalsContact CB-NE2 3.28Å; F3-Q181 HydrophobicContact CD1-CB 4Å; F3-Q181 HydrophobicContact CD1-CG 3.93Å; F3-Q181 HydrophobicContact CE1-CB 4.28Å; F3-E184 HydrophobicContact CE1-CB 4.01Å; F3-E184 VanDerWaalsContact CE1-OE2 3.25Å; F3-E184 WeakPolarHBondContact CE1-OE2 3.18Å
4	L	93.4	Very high	88.6	Confident	19 Å²	19	45.1 Å²	45.1	10%	0.099	26%	0.26	C	S	.	.			trans	-92.4	144.6	167.9	-65.9	177.4	0	0	0	108.4	L177 Q181 W230 V233 L234	L4-L177 HydrophobicContact CB-CD2 4.29Å; L4-L177 HydrophobicContact CD1-CD1 4.24Å; L4-L177 HydrophobicContact CD1-CD2 4.38Å; L4-Q181 VanDerWaalsContact N-NE2 3.2Å; L4-Q181 PolarHBondContact O-NE2 3.32Å; L4-Q181 PolarHBondContact O-OE1 3.32Å; L4-Q181 VanDerWaalsContact O-OE1 3.12Å; L4-W230 HydrophobicContact CD1-CD2 4.17Å; L4-W230 HydrophobicContact CD1-CG 4.17Å; L4-V233 HydrophobicContact CD1-CB 4.36Å; L4-V233 HydrophobicContact CD1-CG1 4.02Å; L4-V233 HydrophobicContact CD2-CB 4.44Å; L4-V233 HydrophobicContact CD2-CG1 4.04Å; L4-V233 HydrophobicContact CG-CG1 4.14Å; L4-L234 HydrophobicContact CD1-CD2 4.21Å
5	S	93.1	Very high	88.7	Confident	28 Å²	28	48.4 Å²	48.4	20%	0.196	28%	0.276	C	S	.	.			trans	-122.9	150.1	171.7	62.1	0	0	0	0	110.9	E124 W230	S5-E124 WeakPolarHBondContact CB-OE2 3.47Å; S5-E124 PolarHBondContact OG-OE2 3.41Å; S5-W230 WeakPolarHBondContact O-CZ2 3.4Å
6	I	94.3	Very high	88.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-89	129.1	-179.7	-61.4	162.9	0	0	0	107.8	F113 A117 S120 Q121 F148 F174 M178 W230	I6-F113 HydrophobicContact CG2-CE1 3.86Å; I6-F113 HydrophobicContact CG2-CZ 3.8Å; I6-A117 HydrophobicContact CB-CB 4.05Å; I6-A117 HydrophobicContact CG2-CB 3.91Å; I6-S120 PolarHBondContact N-OG 3.47Å; I6-Q121 PolarHBondContact O-NE2 3.05Å; I6-F148 HydrophobicContact CD1-CD2 4.28Å; I6-F148 HydrophobicContact CD1-CE1 4.48Å; I6-F148 HydrophobicContact CD1-CE2 3.27Å; I6-F148 HydrophobicContact CD1-CZ 3.39Å; I6-F174 HydrophobicContact CD1-CB 3.75Å; I6-F174 HydrophobicContact CD1-CD1 3.79Å; I6-F174 HydrophobicContact CD1-CG 3.9Å; I6-F174 HydrophobicContact CG1-CD1 3.96Å; I6-F174 HydrophobicContact CG1-CE1 4.47Å; I6-M178 HydrophobicContact CD1-CE 4.14Å; I6-M178 HydrophobicContact CD1-CG 4.17Å; I6-M178 HydrophobicContact CD1-SD 4.27Å; I6-M178 HydrophobicContact CG1-CE 4.38Å; I6-W230 HydrophobicContact CG1-CH2 4.04Å
7	P	91.9	Very high	89.1	Confident	46 Å²	46	44.1 Å²	44.1	30%	0.299	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-62.5	146.6	174.4	-21.4	32.5	0	0	0	112.2	I93	P7-I93 HydrophobicContact CB-CB 4.3Å; P7-I93 WeakPolarHBondContact O-CG2 3.18Å
8	L	91.9	Very high	89.2	Confident	35 Å²	35	44 Å²	44	18%	0.183	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-72.7	145.6	172.3	-67.5	168.5	0	0	0	110.7	P59 C114 A117 A118	L8-P59 HydrophobicContact CD1-CG 4.01Å; L8-C114 HydrophobicContact CD2-CB 3.93Å; L8-C114 VanDerWaalsContact CD2-O 3.28Å; L8-C114 WeakPolarHBondContact CD2-O 3.31Å; L8-A117 HydrophobicContact CD2-CB 3.87Å; L8-A118 HydrophobicContact CD2-CB 4.29Å
9	K	91.9	Very high	89.3	Confident	8 Å²	8	44.7 Å²	44.7	4%	0.035	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-77.4	152	172.6	-66.5	167.7	64	64.9	0	110.1	W90 S91 I93 N110 F113 D165	K9-W90 HydrophobicContact CB-CE3 3.86Å; K9-W90 HydrophobicContact CB-CZ3 3.99Å; K9-S91 PolarHBondContact NZ-O 3.02Å; K9-I93 HydrophobicContact CG-CG2 3.75Å; K9-N110 WeakPolarHBondContact CE-OD1 3.18Å; K9-N110 PolarHBondContact NZ-OD1 3.37Å; K9-F113 HydrophobicContact CD-CB 3.88Å; K9-F113 HydrophobicContact CD-CD1 3.22Å; K9-F113 HydrophobicContact CD-CD2 4.18Å; K9-F113 HydrophobicContact CD-CE1 3.75Å; K9-F113 HydrophobicContact CD-CG 3.48Å; K9-F113 VanDerWaalsContact CD-CG 3.48Å; K9-F113 HydrophobicContact CD-CZ 4.4Å; K9-F113 HydrophobicContact CG-CD1 3.61Å; K9-F113 HydrophobicContact CG-CE1 3.78Å; K9-F113 HydrophobicContact CG-CG 4.37Å; K9-D165 WeakPolarHBondContact CD-OD2 3.3Å; K9-D165 WeakPolarHBondContact CG-OD2 3.42Å; K9-D165 IonicContact NZ-OD1 2.78Å; K9-D165 PolarHBondContact NZ-OD1 3.03Å; K9-D165 IonicContact NZ-OD2 2.6Å; K9-D165 PolarHBondContact NZ-OD2 2.97Å
10	K	88.7	Confident	89.4	Confident	125 Å²	125	42.5 Å²	42.5	54%	0.543	24%	0.244	S	C	.	.			trans	-104	134.9	177.8	-64.1	-174	174.5	-171.3	0	110.5	D55 S91	K10-D55 IonicContact NZ-OD1 3Å; K10-D55 PolarHBondContact NZ-OD1 2.76Å; K10-S91 PolarHBondContact O-N 3.28Å
11	S	91.9	Very high	89.6	Confident	17 Å²	17	43.1 Å²	43.1	12%	0.119	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-118	150.7	176.1	-164.6	0	0	0	0	111.7	R47 K89	S11-R47 PolarHBondContact OG-NH2 2.8Å; S11-K89 WeakPolarHBondContact CA-O 3.31Å; S11-K89 PolarHBondContact OG-O 2.81Å; S11-K89 VanDerWaalsContact OG-O 3.11Å
12	A	90.8	Very high	90.9	Very high	41 Å²	41	46 Å²	46	34%	0.339	26%	0.257	S	S	.	.			trans	-76.3	156.6	169.6	0	0	0	0	0	111.5	R47 K89	A12-R47 PolarHBondContact O-NH1 3.37Å; A12-R47 PolarHBondContact O-NH2 3.43Å; A12-K89 HydrophobicContact CB-CB 4.01Å; A12-K89 HydrophobicContact CB-CD 4.42Å; A12-K89 HydrophobicContact CB-CG 4.49Å; A12-K89 PolarHBondContact N-O 3.28Å
13	S	89.5	Confident	91.3	Very high	103 Å²	103	41.7 Å²	41.7	72%	0.72	23%	0.234	S	C	*	.			trans	-64.4	138.2	170.5	57.6	0	0	0	0	110.9
14	V	90.6	Very high	91.3	Very high	29 Å²	29	41.2 Å²	41.2	18%	0.176	23%	0.232	C	C	.	.			trans	-136.2	132.7	177.5	-177.9	0	0	0	0	107.5	L16 I86	V14-L16 HydrophobicContact CB-CD2 4.3Å; V14-L16 HydrophobicContact CG1-CD2 3.8Å; V14-L16 PolarHBondContact O-N 3.33Å; V14-L16 VanDerWaalsContact O-N 3.08Å; V14-I86 HydrophobicContact CG1-CG2 3.8Å
15	D	90.7	Very high	91.1	Very high	94 Å²	94	42 Å²	42	50%	0.503	24%	0.241	S	C	.	.			trans	-78.2	86.5	172.4	179.9	8	0	0	0	109.7	S17 S18 Q19	D15-S17 PolarHBondContact OD1-N 2.89Å; D15-S18 PolarHBondContact OD1-N 2.62Å; D15-S18 WeakPolarHBondContact OD2-CB 3.34Å; D15-Q19 WeakPolarHBondContact O-CB 3.45Å; D15-Q19 WeakPolarHBondContact O-CG 3.26Å; D15-Q19 PolarHBondContact O-NE2 3.22Å
16	L	91.5	Very high	90.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-70.1	-35.4	178.6	-70	-164.8	0	0	0	112.8	V14 F20 L43 A44 R47 Y67 I86 F88	V14-L16 HydrophobicContact CB-CD2 4.3Å; V14-L16 HydrophobicContact CG1-CD2 3.8Å; V14-L16 PolarHBondContact O-N 3.33Å; V14-L16 VanDerWaalsContact O-N 3.08Å; L16-F20 HydrophobicContact CB-CD2 4.03Å; L16-F20 HydrophobicContact CB-CE2 4.25Å; L16-F20 HydrophobicContact CD1-CE2 4.16Å; L16-F20 HydrophobicContact CD2-CD2 4.34Å; L16-F20 HydrophobicContact CD2-CE2 3.84Å; L16-F20 HydrophobicContact CG-CE2 4.3Å; L16-F20 WeakPolarHBondContact O-CB 3.33Å; L16-F20 VanDerWaalsContact O-CD2 3.32Å; L16-F20 WeakPolarHBondContact O-CD2 3.5Å; L16-F20 PolarHBondContact O-N 2.97Å; L16-L43 HydrophobicContact CD1-CD2 4.16Å; L16-L43 HydrophobicContact CD1-CG 4.18Å; L16-A44 HydrophobicContact CB-CB 4.27Å; L16-R47 HydrophobicContact CD1-CB 4.05Å; L16-R47 VanDerWaalsContact CD1-CD 3.42Å; L16-R47 HydrophobicContact CD1-CG 4.33Å; L16-Y67 HydrophobicContact CD1-CE2 4.17Å; L16-I86 HydrophobicContact CD2-CG2 4.19Å; L16-F88 HydrophobicContact CD2-CE1 3.75Å; L16-F88 HydrophobicContact CD2-CZ 4.2Å
17	S	92.1	Very high	90.3	Very high	22 Å²	22	48 Å²	48	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-52.3	-170.4	-170	0	0	0	0	110.8	D15 Q21	D15-S17 PolarHBondContact OD1-N 2.89Å; S17-Q21 VanDerWaalsContact O-CB 3.26Å; S17-Q21 WeakPolarHBondContact O-CB 3.44Å; S17-Q21 PolarHBondContact O-N 3.03Å
18	S	91.3	Very high	90.1	Very high	43 Å²	43	48.1 Å²	48.1	30%	0.301	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-45.3	-179.6	-175.2	0	0	0	0	111.7	D15 Q21 Q22	D15-S18 PolarHBondContact OD1-N 2.62Å; D15-S18 WeakPolarHBondContact OD2-CB 3.34Å; S18-Q21 PolarHBondContact O-N 3.08Å; S18-Q22 WeakPolarHBondContact O-CG 3.41Å; S18-Q22 PolarHBondContact O-N 2.96Å; S18-Q22 PolarHBondContact OG-NE2 2.88Å
19	Q	90.8	Very high	89.9	Confident	58 Å²	58	48 Å²	48	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-65.3	-49.2	-176.6	-71.6	-178.4	80.5	0	0	111.8	D15 Q21 Q22 L23 I86	D15-Q19 WeakPolarHBondContact O-CB 3.45Å; D15-Q19 WeakPolarHBondContact O-CG 3.26Å; D15-Q19 PolarHBondContact O-NE2 3.22Å; Q19-Q21 VanDerWaalsContact C-N 3.31Å; Q19-Q21 PolarHBondContact O-N 3Å; Q19-Q22 PolarHBondContact O-N 2.86Å; Q19-L23 VanDerWaalsContact O-CG 3.24Å; Q19-L23 WeakPolarHBondContact O-CG 3.45Å; Q19-L23 PolarHBondContact O-N 3.32Å; Q19-I86 HydrophobicContact CB-CD1 3.66Å; Q19-I86 HydrophobicContact CB-CG1 3.93Å
20	F	91.9	Very high	89.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-32.2	177.4	-77.9	-57.1	0	0	0	112.7	L16 Q22 L23 I24 L40 L43 M71 L74 L78 I86 L104	L16-F20 HydrophobicContact CB-CD2 4.03Å; L16-F20 HydrophobicContact CB-CE2 4.25Å; L16-F20 HydrophobicContact CD1-CE2 4.16Å; L16-F20 HydrophobicContact CD2-CD2 4.34Å; L16-F20 HydrophobicContact CD2-CE2 3.84Å; L16-F20 HydrophobicContact CG-CE2 4.3Å; L16-F20 WeakPolarHBondContact O-CB 3.33Å; L16-F20 VanDerWaalsContact O-CD2 3.32Å; L16-F20 WeakPolarHBondContact O-CD2 3.5Å; L16-F20 PolarHBondContact O-N 2.97Å; F20-Q22 VanDerWaalsContact C-N 3.34Å; F20-Q22 PolarHBondContact O-N 3.36Å; F20-L23 HydrophobicContact CD1-CD1 4.13Å; F20-L23 PolarHBondContact O-N 3.02Å; F20-I24 WeakPolarHBondContact O-CB 3.1Å; F20-I24 WeakPolarHBondContact O-CD1 3.33Å; F20-I24 VanDerWaalsContact O-CG1 3.23Å; F20-I24 WeakPolarHBondContact O-CG1 3.21Å; F20-I24 PolarHBondContact O-N 3.48Å; F20-L40 HydrophobicContact CB-CD1 4.31Å; F20-L40 HydrophobicContact CB-CD2 3.55Å; F20-L40 HydrophobicContact CD2-CD2 4.48Å; F20-L40 HydrophobicContact CG-CD2 4.33Å; F20-L43 HydrophobicContact CD2-CD2 4Å; F20-L43 HydrophobicContact CE2-CD2 3.94Å; F20-M71 HydrophobicContact CE2-SD 4.32Å; F20-M71 HydrophobicContact CZ-CE 4.32Å; F20-M71 HydrophobicContact CZ-SD 4.43Å; F20-L74 HydrophobicContact CD1-CD2 3.78Å; F20-L74 HydrophobicContact CD2-CD2 3.92Å; F20-L74 HydrophobicContact CE1-CD2 3.67Å; F20-L74 HydrophobicContact CE2-CD2 3.79Å; F20-L74 HydrophobicContact CG-CD2 3.91Å; F20-L74 HydrophobicContact CZ-CD2 3.67Å; F20-L78 HydrophobicContact CD1-CD1 3.82Å; F20-L78 HydrophobicContact CE1-CD1 3.72Å; F20-I86 HydrophobicContact CD1-CD1 3.52Å; F20-I86 HydrophobicContact CD2-CD1 3.83Å; F20-I86 HydrophobicContact CE1-CD1 3.43Å; F20-I86 VanDerWaalsContact CE1-CD1 3.43Å; F20-I86 HydrophobicContact CE2-CD1 3.75Å; F20-I86 HydrophobicContact CG-CD1 3.72Å; F20-I86 HydrophobicContact CZ-CD1 3.56Å; F20-L104 HydrophobicContact CE1-CD2 3.96Å; F20-L104 HydrophobicContact CZ-CD2 3.61Å
21	Q	92.3	Very high	89.9	Confident	56 Å²	56	51.9 Å²	51.9	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-44.5	174.4	-173.7	-177.8	6.2	0	0	111.2	S17 S18 Q19 L23 I24 A25 A33 N34 V37 L40	S17-Q21 VanDerWaalsContact O-CB 3.26Å; S17-Q21 WeakPolarHBondContact O-CB 3.44Å; S17-Q21 PolarHBondContact O-N 3.03Å; S18-Q21 PolarHBondContact O-N 3.08Å; Q19-Q21 VanDerWaalsContact C-N 3.31Å; Q19-Q21 PolarHBondContact O-N 3Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.41Å; Q21-I24 PolarHBondContact O-N 2.72Å; Q21-A25 VanDerWaalsContact O-CB 3.31Å; Q21-A25 WeakPolarHBondContact O-CB 3.35Å; Q21-A25 PolarHBondContact O-N 3.17Å; Q21-A33 HydrophobicContact CG-CB 4.16Å; Q21-N34 PolarHBondContact NE2-OD1 3.26Å; Q21-V37 HydrophobicContact CG-CG2 4.43Å; Q21-L40 HydrophobicContact CB-CD1 3.81Å
22	Q	89.1	Confident	89.8	Confident	126 Å²	126	53 Å²	53	59%	0.589	31%	0.312	S	S	*	.	H	α-helix	trans	-63.3	-41.6	176.5	-69.2	173	22.5	0	0	111.8	S18 Q19 F20 A25 L26	S18-Q22 WeakPolarHBondContact O-CG 3.41Å; S18-Q22 PolarHBondContact O-N 2.96Å; S18-Q22 PolarHBondContact OG-NE2 2.88Å; Q19-Q22 PolarHBondContact O-N 2.86Å; F20-Q22 VanDerWaalsContact C-N 3.34Å; F20-Q22 PolarHBondContact O-N 3.36Å; Q22-A25 PolarHBondContact O-N 3.5Å; Q22-L26 PolarHBondContact O-N 3.03Å
23	L	88.6	Confident	89.8	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-42	178.7	-69.6	178.4	0	0	0	112.6	Q19 F20 Q21 A25 L26 Q27 I82 R85 I86	Q19-L23 VanDerWaalsContact O-CG 3.24Å; Q19-L23 WeakPolarHBondContact O-CG 3.45Å; Q19-L23 PolarHBondContact O-N 3.32Å; F20-L23 HydrophobicContact CD1-CD1 4.13Å; F20-L23 PolarHBondContact O-N 3.02Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.41Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-L26 WeakPolarHBondContact O-CB 3.34Å; L23-L26 PolarHBondContact O-N 3.46Å; L23-Q27 PolarHBondContact O-N 3.42Å; L23-I82 HydrophobicContact CB-CG2 3.44Å; L23-I82 VanDerWaalsContact CB-CG2 3.44Å; L23-I82 HydrophobicContact CD1-CG2 4.21Å; L23-I82 WeakPolarHBondContact CD1-O 3.37Å; L23-I82 HydrophobicContact CD2-CB 4.45Å; L23-I82 HydrophobicContact CD2-CG2 3.55Å; L23-I82 HydrophobicContact CG-CG2 3.87Å; L23-R85 HydrophobicContact CD1-CB 4.37Å; L23-R85 HydrophobicContact CD2-CB 3.81Å; L23-R85 HydrophobicContact CD2-CG 4.16Å; L23-I86 HydrophobicContact CD1-CD1 3.86Å; L23-I86 HydrophobicContact CD1-CG1 3.72Å
24	I	90.8	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-39	174.1	-68.7	162.6	0	0	0	109.9	F20 Q21 L26 Q27 Y28 A33 C36 L40 L78 L346	F20-I24 WeakPolarHBondContact O-CB 3.1Å; F20-I24 WeakPolarHBondContact O-CD1 3.33Å; F20-I24 VanDerWaalsContact O-CG1 3.23Å; F20-I24 WeakPolarHBondContact O-CG1 3.21Å; F20-I24 PolarHBondContact O-N 3.48Å; Q21-I24 PolarHBondContact O-N 2.72Å; I24-L26 VanDerWaalsContact C-N 3.28Å; I24-L26 PolarHBondContact O-N 2.9Å; I24-Q27 PolarHBondContact O-N 2.99Å; I24-Y28 HydrophobicContact CG2-CD2 4.14Å; I24-Y28 WeakPolarHBondContact O-CA 3.48Å; I24-Y28 WeakPolarHBondContact O-CB 3.41Å; I24-Y28 PolarHBondContact O-N 2.84Å; I24-A33 HydrophobicContact CB-CB 4.25Å; I24-A33 HydrophobicContact CG2-CB 3.91Å; I24-C36 HydrophobicContact CD1-CB 4.32Å; I24-L40 HydrophobicContact CD1-CD1 4.07Å; I24-L40 HydrophobicContact CD1-CD2 4.09Å; I24-L40 HydrophobicContact CD1-CG 4.46Å; I24-L78 HydrophobicContact CG1-CD2 4.07Å; I24-L346 HydrophobicContact CD1-CD1 3.85Å; I24-L346 HydrophobicContact CG1-CD1 4.12Å; I24-L346 HydrophobicContact CG2-CD2 3.76Å
25	A	89.9	Confident	90.2	Very high	35 Å²	35	52 Å²	52	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-37.7	176.5	0	0	0	0	0	111.8	Q21 Q22 L23 Q27 G29 A33	Q21-A25 VanDerWaalsContact O-CB 3.31Å; Q21-A25 WeakPolarHBondContact O-CB 3.35Å; Q21-A25 PolarHBondContact O-N 3.17Å; Q22-A25 PolarHBondContact O-N 3.5Å; L23-A25 VanDerWaalsContact C-N 3.33Å; A25-Q27 VanDerWaalsContact C-N 3.35Å; A25-G29 CarbonylContact O-C 3.56Å; A25-G29 WeakPolarHBondContact O-CA 3.48Å; A25-G29 PolarHBondContact O-N 2.88Å; A25-A33 HydrophobicContact CB-CB 3.7Å
26	L	85	Confident	90.3	Very high	111 Å²	111	47.6 Å²	47.6	58%	0.581	28%	0.277	S	S	*	.	H	α-helix	trans	-66.1	-35.9	176.6	-172.7	67.7	0	0	0	112.5	Q22 L23 I24 I82	Q22-L26 PolarHBondContact O-N 3.03Å; L23-L26 WeakPolarHBondContact O-CB 3.34Å; L23-L26 PolarHBondContact O-N 3.46Å; I24-L26 VanDerWaalsContact C-N 3.28Å; I24-L26 PolarHBondContact O-N 2.9Å; L26-I82 HydrophobicContact CB-CD1 4.4Å; L26-I82 HydrophobicContact CD2-CD1 3.91Å; L26-I82 HydrophobicContact CD2-CG1 4.11Å; L26-I82 HydrophobicContact CG-CD1 4.19Å
27	Q	85	Confident	90.4	Very high	45 Å²	45	49.9 Å²	49.9	21%	0.21	29%	0.291	C	S	.	.	H	α-helix	trans	-91.7	-42.5	-175.5	-169.6	173.5	-45.2	0	0	113.7	L23 I24 A25 R77 N79 I82 M349	L23-Q27 PolarHBondContact O-N 3.42Å; I24-Q27 PolarHBondContact O-N 2.99Å; A25-Q27 VanDerWaalsContact C-N 3.35Å; Q27-R77 PolarHBondContact NE2-O 3.34Å; Q27-N79 PolarHBondContact OE1-ND2 3.37Å; Q27-I82 HydrophobicContact CB-CD1 3.78Å; Q27-I82 HydrophobicContact CG-CD1 4.31Å; Q27-M349 PolarHBondContact NE2-SD 3.32Å
28	Y	87.2	Confident	90.5	Very high	48 Å²	48	51.5 Å²	51.5	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-116.2	-0.4	-170.9	-65.9	-81.6	0	0	0	113.7	I24 T32 R77 L346 L347	I24-Y28 HydrophobicContact CG2-CD2 4.14Å; I24-Y28 WeakPolarHBondContact O-CA 3.48Å; I24-Y28 WeakPolarHBondContact O-CB 3.41Å; I24-Y28 PolarHBondContact O-N 2.84Å; Y28-T32 HydrophobicContact CG-CG2 4.36Å; Y28-T32 PolarHBondContact O-OG1 3.47Å; Y28-R77 WeakPolarHBondContact CE2-O 3.38Å; Y28-R77 PolarHBondContact OH-O 2.81Å; Y28-L346 HydrophobicContact CD2-CD2 3.85Å; Y28-L346 HydrophobicContact CE2-CD2 4.1Å; Y28-L346 HydrophobicContact CG-CD2 4.13Å; Y28-L347 PolarHBondContact OH-O 3.4Å
29	G	87.7	Confident	90.6	Very high	33 Å²	33	50.5 Å²	50.5	34%	0.34	30%	0.304	S	S	.	.			trans	84.6	163.2	-177.2	0	0	0	0	0	114.2	A25 L31 T32 A33	A25-G29 CarbonylContact O-C 3.56Å; A25-G29 WeakPolarHBondContact O-CA 3.48Å; A25-G29 PolarHBondContact O-N 2.88Å; G29-L31 PolarHBondContact O-N 2.92Å; G29-T32 PolarHBondContact O-N 3.42Å; G29-A33 PolarHBondContact O-N 3.26Å; G29-A33 VanDerWaalsContact O-N 3.12Å
30	A	89.7	Confident	90.8	Very high	63 Å²	63	47.7 Å²	47.7	52%	0.521	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-35.3	-172.7	0	0	0	0	0	113.9	A33 N34	A30-A33 PolarHBondContact O-N 3.41Å; A30-N34 WeakPolarHBondContact O-CB 3.24Å; A30-N34 PolarHBondContact O-N 3.29Å; A30-N34 PolarHBondContact O-ND2 3.09Å
31	L	91	Very high	90.9	Very high	151 Å²	151	50.6 Å²	50.6	79%	0.791	31%	0.311	S	S	*	.	H	α-helix	trans	-63.2	-47.4	179.2	-70.3	174.4	0	0	0	111.5	G29 A33 N34 A35	G29-L31 PolarHBondContact O-N 2.92Å; L31-A33 VanDerWaalsContact C-N 3.35Å; L31-N34 PolarHBondContact O-N 2.78Å; L31-A35 PolarHBondContact O-N 3.17Å; L31-A35 VanDerWaalsContact O-N 3.07Å
32	T	90.6	Very high	91	Very high	40 Å²	40	51.1 Å²	51.1	25%	0.245	31%	0.313	C	S	.	.	H	α-helix	trans	-63.9	-41.9	177.1	-46	0	0	0	0	111.2	Y28 G29 N34 A35 C36 L346	Y28-T32 HydrophobicContact CG-CG2 4.36Å; Y28-T32 PolarHBondContact O-OG1 3.47Å; G29-T32 PolarHBondContact O-N 3.42Å; T32-N34 VanDerWaalsContact C-N 3.32Å; T32-N34 PolarHBondContact O-N 3.25Å; T32-A35 WeakPolarHBondContact O-CB 3.43Å; T32-A35 PolarHBondContact O-N 3.03Å; T32-C36 PolarHBondContact O-N 3.37Å; T32-C36 PolarHBondContact O-SG 3.42Å; T32-L346 HydrophobicContact CG2-CD2 3.61Å
33	A	91.6	Very high	91.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-42	175.7	0	0	0	0	0	112.5	Q21 I24 A25 G29 A30 L31 A35 C36 V37	Q21-A33 HydrophobicContact CG-CB 4.16Å; I24-A33 HydrophobicContact CB-CB 4.25Å; I24-A33 HydrophobicContact CG2-CB 3.91Å; A25-A33 HydrophobicContact CB-CB 3.7Å; G29-A33 PolarHBondContact O-N 3.26Å; G29-A33 VanDerWaalsContact O-N 3.12Å; A30-A33 PolarHBondContact O-N 3.41Å; L31-A33 VanDerWaalsContact C-N 3.35Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 3.5Å; A33-C36 PolarHBondContact O-N 3.35Å; A33-V37 PolarHBondContact O-N 3Å
34	N	93.1	Very high	91.5	Very high	94 Å²	94	45.6 Å²	45.6	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-66.2	-35.9	177.5	-71.6	-21.6	0	0	0	112.4	Q21 A30 L31 T32 C36 V37	Q21-N34 PolarHBondContact NE2-OD1 3.26Å; A30-N34 WeakPolarHBondContact O-CB 3.24Å; A30-N34 PolarHBondContact O-N 3.29Å; A30-N34 PolarHBondContact O-ND2 3.09Å; L31-N34 PolarHBondContact O-N 2.78Å; T32-N34 VanDerWaalsContact C-N 3.32Å; T32-N34 PolarHBondContact O-N 3.25Å; N34-C36 PolarHBondContact O-N 2.74Å; N34-V37 WeakPolarHBondContact O-CG2 3.19Å; N34-V37 PolarHBondContact O-N 3.16Å
35	A	93.4	Very high	91.6	Very high	58 Å²	58	51 Å²	51	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-25.3	174.4	0	0	0	0	0	112.8	L31 T32 A33	L31-A35 PolarHBondContact O-N 3.17Å; L31-A35 VanDerWaalsContact O-N 3.07Å; T32-A35 WeakPolarHBondContact O-CB 3.43Å; T32-A35 PolarHBondContact O-N 3.03Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 3.5Å
36	C	93.4	Very high	91.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.7	179.3	-67	0	0	0	0	114.6	I24 T32 A33 N34 G38 S39 L40	I24-C36 HydrophobicContact CD1-CB 4.32Å; T32-C36 PolarHBondContact O-N 3.37Å; T32-C36 PolarHBondContact O-SG 3.42Å; A33-C36 PolarHBondContact O-N 3.35Å; N34-C36 PolarHBondContact O-N 2.74Å; C36-G38 VanDerWaalsContact C-N 3.28Å; C36-G38 PolarHBondContact O-N 3.08Å; C36-S39 PolarHBondContact O-N 3.24Å; C36-S39 VanDerWaalsContact O-N 3.09Å; C36-L40 HydrophobicContact CB-CD1 4.33Å; C36-L40 HydrophobicContact CB-CG 4.33Å; C36-L40 WeakPolarHBondContact O-CG 3.17Å; C36-L40 PolarHBondContact O-N 3.38Å
37	V	94.2	Very high	92.2	Very high	49 Å²	49	45.6 Å²	45.6	30%	0.297	29%	0.285	S	S	.	.	H	α-helix	trans	-56.1	-40.4	-173.5	170.8	0	0	0	0	112.9	Q21 A33 N34 L40 S41	Q21-V37 HydrophobicContact CG-CG2 4.43Å; A33-V37 PolarHBondContact O-N 3Å; N34-V37 WeakPolarHBondContact O-CG2 3.19Å; N34-V37 PolarHBondContact O-N 3.16Å; V37-L40 PolarHBondContact O-N 3.18Å; V37-S41 WeakPolarHBondContact O-CB 3.33Å; V37-S41 PolarHBondContact O-N 2.98Å; V37-S41 PolarHBondContact O-OG 2.92Å
38	G	94.1	Very high	92.5	Very high	55 Å²	55	46 Å²	46	57%	0.567	29%	0.291	S	S	*	.	H	α-helix	trans	-61.5	-50.1	176.5	0	0	0	0	0	112.1	C36 L40 S41 E42	C36-G38 VanDerWaalsContact C-N 3.28Å; C36-G38 PolarHBondContact O-N 3.08Å; G38-L40 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 3.39Å; G38-S41 WeakPolarHBondContact O-CB 3.33Å; G38-S41 PolarHBondContact O-N 2.74Å; G38-E42 PolarHBondContact O-N 3.4Å
39	S	93.7	Very high	92.6	Very high	22 Å²	22	46 Å²	46	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-37.8	177.8	-54.9	0	0	0	0	112.9	C36 E42 L43 Y342	C36-S39 PolarHBondContact O-N 3.24Å; C36-S39 VanDerWaalsContact O-N 3.09Å; S39-E42 PolarHBondContact O-N 3.4Å; S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 PolarHBondContact O-N 2.94Å; S39-Y342 WeakPolarHBondContact CB-O 3.38Å; S39-Y342 PolarHBondContact OG-O 2.97Å
40	L	94.6	Very high	92.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-37.3	176.6	-69.1	176.8	0	0	0	112.4	F20 Q21 I24 C36 V37 G38 E42 L43 A44 F343	F20-L40 HydrophobicContact CB-CD1 4.31Å; F20-L40 HydrophobicContact CB-CD2 3.55Å; F20-L40 HydrophobicContact CD2-CD2 4.48Å; F20-L40 HydrophobicContact CG-CD2 4.33Å; Q21-L40 HydrophobicContact CB-CD1 3.81Å; I24-L40 HydrophobicContact CD1-CD1 4.07Å; I24-L40 HydrophobicContact CD1-CD2 4.09Å; I24-L40 HydrophobicContact CD1-CG 4.46Å; C36-L40 HydrophobicContact CB-CD1 4.33Å; C36-L40 HydrophobicContact CB-CG 4.33Å; C36-L40 WeakPolarHBondContact O-CG 3.17Å; C36-L40 PolarHBondContact O-N 3.38Å; V37-L40 PolarHBondContact O-N 3.18Å; G38-L40 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 3.39Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-L43 PolarHBondContact O-N 3.2Å; L40-A44 WeakPolarHBondContact O-CB 3.41Å; L40-A44 PolarHBondContact O-N 2.78Å; L40-F343 HydrophobicContact CD2-CE1 3.88Å; L40-F343 HydrophobicContact CD2-CZ 4.39Å
41	S	95	Very high	92.6	Very high	60 Å²	60	42.3 Å²	42.3	42%	0.42	26%	0.261	S	S	.	.	H	α-helix	trans	-64.9	-40.8	173.4	-59.8	0	0	0	0	111	V37 G38 A44 L45	V37-S41 WeakPolarHBondContact O-CB 3.33Å; V37-S41 PolarHBondContact O-N 2.98Å; V37-S41 PolarHBondContact O-OG 2.92Å; G38-S41 WeakPolarHBondContact O-CB 3.33Å; G38-S41 PolarHBondContact O-N 2.74Å; S41-A44 PolarHBondContact O-N 3.04Å; S41-L45 PolarHBondContact O-N 3.37Å
42	E	94.2	Very high	91.6	Very high	67 Å²	67	36.8 Å²	36.8	31%	0.313	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-44.7	175.3	-157.4	176.8	-178.6	0	0	111.2	G38 S39 L40 A44 L45 M46 K340 Y342	G38-E42 PolarHBondContact O-N 3.4Å; S39-E42 PolarHBondContact O-N 3.4Å; L40-E42 VanDerWaalsContact C-N 3.33Å; E42-A44 PolarHBondContact O-N 2.9Å; E42-L45 WeakPolarHBondContact O-CB 2.8Å; E42-L45 PolarHBondContact O-N 3.31Å; E42-M46 HydrophobicContact CG-CE 3.68Å; E42-M46 VanDerWaalsContact O-CG 3.31Å; E42-M46 WeakPolarHBondContact O-CG 3.46Å; E42-M46 PolarHBondContact O-N 3.24Å; E42-K340 IonicContact OE1-NZ 3.06Å; E42-K340 IonicContact OE2-NZ 3.71Å; E42-K340 PolarHBondContact OE2-NZ 3.14Å; E42-Y342 HydrophobicContact CG-CE1 4.37Å; E42-Y342 WeakPolarHBondContact OE2-CE1 3.33Å
43	L	93.9	Very high	90.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-45.9	174.3	-177.3	74	0	0	0	112.2	L16 F20 S39 L40 L45 M46 R47 Y67 A70 M71 L74 F343	L16-L43 HydrophobicContact CD1-CD2 4.16Å; L16-L43 HydrophobicContact CD1-CG 4.18Å; F20-L43 HydrophobicContact CD2-CD2 4Å; F20-L43 HydrophobicContact CE2-CD2 3.94Å; S39-L43 WeakPolarHBondContact O-CB 3.49Å; S39-L43 PolarHBondContact O-N 2.94Å; L40-L43 PolarHBondContact O-N 3.2Å; L43-L45 VanDerWaalsContact C-N 3.31Å; L43-L45 PolarHBondContact O-N 2.69Å; L43-M46 WeakPolarHBondContact O-CB 3.41Å; L43-M46 PolarHBondContact O-N 2.94Å; L43-R47 PolarHBondContact O-N 2.96Å; L43-Y67 HydrophobicContact CD1-CD2 3.97Å; L43-Y67 HydrophobicContact CD1-CE2 3.9Å; L43-Y67 HydrophobicContact CG-CE2 4.34Å; L43-A70 HydrophobicContact CD1-CB 3.56Å; L43-M71 HydrophobicContact CD1-CG 4.14Å; L43-M71 HydrophobicContact CD1-SD 4.08Å; L43-M71 HydrophobicContact CD2-SD 4.09Å; L43-M71 HydrophobicContact CG-SD 4.48Å; L43-L74 HydrophobicContact CD2-CD2 3.94Å; L43-F343 HydrophobicContact CD2-CZ 4.2Å
44	A	93.7	Very high	88.8	Confident	22 Å²	22	44.4 Å²	44.4	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-38.2	178.7	0	0	0	0	0	112	L16 L40 S41 E42 T48	L16-A44 HydrophobicContact CB-CB 4.27Å; L40-A44 WeakPolarHBondContact O-CB 3.41Å; L40-A44 PolarHBondContact O-N 2.78Å; S41-A44 PolarHBondContact O-N 3.04Å; E42-A44 PolarHBondContact O-N 2.9Å; A44-T48 PolarHBondContact O-N 2.98Å; A44-T48 VanDerWaalsContact O-N 3.11Å; A44-T48 PolarHBondContact O-OG1 2.98Å
45	L	93.4	Very high	87.3	Confident	115 Å²	115	46.5 Å²	46.5	60%	0.602	29%	0.29	S	S	*	.	H	α-helix	trans	-65.3	-45.6	173.4	-176.9	65.2	0	0	0	111.1	S41 E42 L43 R47 T48 V49	S41-L45 PolarHBondContact O-N 3.37Å; E42-L45 WeakPolarHBondContact O-CB 2.8Å; E42-L45 PolarHBondContact O-N 3.31Å; L43-L45 VanDerWaalsContact C-N 3.31Å; L43-L45 PolarHBondContact O-N 2.69Å; L45-R47 VanDerWaalsContact C-N 3.35Å; L45-R47 PolarHBondContact O-N 3.38Å; L45-T48 WeakPolarHBondContact O-CB 3.03Å; L45-T48 PolarHBondContact O-N 2.89Å; L45-T48 VanDerWaalsContact O-N 3.12Å; L45-V49 WeakPolarHBondContact O-CG2 3.23Å; L45-V49 PolarHBondContact O-N 3.04Å
46	M	93.1	Very high	86	Confident	29 Å²	29	51.7 Å²	51.7	14%	0.143	31%	0.31	C	S	.	.	H	α-helix	trans	-57.6	-45.7	176.6	-72.7	176.6	-169.7	0	0	111.7	E42 L43 T48 V49 A50 Y67 A70 Y342	E42-M46 HydrophobicContact CG-CE 3.68Å; E42-M46 VanDerWaalsContact O-CG 3.31Å; E42-M46 WeakPolarHBondContact O-CG 3.46Å; E42-M46 PolarHBondContact O-N 3.24Å; L43-M46 WeakPolarHBondContact O-CB 3.41Å; L43-M46 PolarHBondContact O-N 2.94Å; M46-T48 VanDerWaalsContact C-N 3.3Å; M46-T48 PolarHBondContact O-N 3.45Å; M46-V49 PolarHBondContact O-N 3.23Å; M46-A50 VanDerWaalsContact O-CB 3.27Å; M46-A50 WeakPolarHBondContact O-CB 3.39Å; M46-A50 PolarHBondContact O-N 3.33Å; M46-Y67 HydrophobicContact CB-CD2 4.01Å; M46-Y67 HydrophobicContact CB-CG 4.4Å; M46-A70 HydrophobicContact SD-CB 4.32Å; M46-Y342 HydrophobicContact CE-CE1 3.56Å; M46-Y342 HydrophobicContact CE-CE2 4.45Å; M46-Y342 VanDerWaalsContact CE-CZ 3.46Å; M46-Y342 WeakPolarHBondContact CE-OH 3.48Å
47	R	93.5	Very high	84.8	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.011	33%	0.329	C	S	.	.	H	α-helix	trans	-58.2	-43.9	174.8	-174.1	175.8	-169.8	-84.9	-4.3	112	S11 A12 L16 L43 L45 V49 A50 C51 Y67 E107	S11-R47 PolarHBondContact OG-NH2 2.8Å; A12-R47 PolarHBondContact O-NH1 3.37Å; A12-R47 PolarHBondContact O-NH2 3.43Å; L16-R47 HydrophobicContact CD1-CB 4.05Å; L16-R47 VanDerWaalsContact CD1-CD 3.42Å; L16-R47 HydrophobicContact CD1-CG 4.33Å; L43-R47 PolarHBondContact O-N 2.96Å; L45-R47 VanDerWaalsContact C-N 3.35Å; L45-R47 PolarHBondContact O-N 3.38Å; R47-V49 VanDerWaalsContact C-N 3.3Å; R47-V49 PolarHBondContact O-N 3.21Å; R47-A50 PolarHBondContact O-N 3.28Å; R47-C51 HydrophobicContact CG-CB 4.35Å; R47-C51 WeakPolarHBondContact O-CB 3.45Å; R47-C51 PolarHBondContact O-N 3.35Å; R47-Y67 HydrophobicContact CB-CD2 4.02Å; R47-Y67 HydrophobicContact CB-CE1 4.16Å; R47-Y67 HydrophobicContact CB-CE2 3.51Å; R47-Y67 VanDerWaalsContact CD-OH 3.24Å; R47-Y67 WeakPolarHBondContact CD-OH 3.42Å; R47-Y67 HydrophobicContact CG-CE1 3.94Å; R47-Y67 HydrophobicContact CG-CE2 4.05Å; R47-Y67 WeakPolarHBondContact CG-OH 3.41Å; R47-Y67 PolarHBondContact NE-OH 3.25Å; R47-E107 IonicContact CZ-OE1 3.82Å; R47-E107 IonicContact NE-OE1 3.24Å; R47-E107 PolarHBondContact NE-OE1 3.14Å; R47-E107 IonicContact NH2-OE1 2.68Å; R47-E107 PolarHBondContact NH2-OE1 2.87Å; R47-E107 IonicContact NH2-OE2 3.18Å
48	T	90.9	Very high	83.9	Confident	54 Å²	54	59.3 Å²	59.3	33%	0.331	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-41.7	-179.2	-59.2	0	0	0	0	111	A44 L45 M46 V52	A44-T48 PolarHBondContact O-N 2.98Å; A44-T48 VanDerWaalsContact O-N 3.11Å; A44-T48 PolarHBondContact O-OG1 2.98Å; L45-T48 WeakPolarHBondContact O-CB 3.03Å; L45-T48 PolarHBondContact O-N 2.89Å; L45-T48 VanDerWaalsContact O-N 3.12Å; M46-T48 VanDerWaalsContact C-N 3.3Å; M46-T48 PolarHBondContact O-N 3.45Å; T48-V52 CarbonylContact O-C 3.54Å; T48-V52 PolarHBondContact O-N 3.14Å
49	V	90	Very high	83.4	Confident	47 Å²	47	57.5 Å²	57.5	29%	0.285	32%	0.32	S	S	.	.	H	α-helix	trans	-68.8	-43.6	176.1	175.5	0	0	0	0	111.4	L45 M46 R47 Y57 A63	L45-V49 WeakPolarHBondContact O-CG2 3.23Å; L45-V49 PolarHBondContact O-N 3.04Å; M46-V49 PolarHBondContact O-N 3.23Å; R47-V49 VanDerWaalsContact C-N 3.3Å; R47-V49 PolarHBondContact O-N 3.21Å; V49-Y57 WeakPolarHBondContact O-CE1 3.48Å; V49-A63 HydrophobicContact CG1-CB 3.89Å
50	A	90.4	Very high	83.1	Confident	6 Å²	6	60.4 Å²	60.4	5%	0.05	34%	0.337	C	S	.	.	H	α-helix	trans	-78.3	-30.5	-174.2	0	0	0	0	0	114.1	M46 R47 I64 Y67	M46-A50 VanDerWaalsContact O-CB 3.27Å; M46-A50 WeakPolarHBondContact O-CB 3.39Å; M46-A50 PolarHBondContact O-N 3.33Å; R47-A50 PolarHBondContact O-N 3.28Å; A50-I64 HydrophobicContact CB-CG1 4.36Å; A50-Y67 HydrophobicContact CB-CD1 4.02Å; A50-Y67 HydrophobicContact CB-CG 4.22Å
51	C	87	Confident	83	Confident	13 Å²	13	61.9 Å²	61.9	9%	0.088	35%	0.346	C	S	.	.	H	α-helix	trans	-130	-20.7	-164.1	-53.1	0	0	0	0	115.8	R47 W90	R47-C51 HydrophobicContact CG-CB 4.35Å; R47-C51 WeakPolarHBondContact O-CB 3.45Å; R47-C51 PolarHBondContact O-N 3.35Å; C51-W90 HydrophobicContact CB-CH2 3.87Å; C51-W90 HydrophobicContact CB-CZ2 4.31Å
52	V	69.3	Low	82.9	Confident	34 Å²	34	62.1 Å²	62.1	21%	0.206	34%	0.34	C	S	.	.			trans	-133.4	68.8	-163.4	-168.1	0	0	0	0	112.3	T48	T48-V52 CarbonylContact O-C 3.54Å; T48-V52 PolarHBondContact O-N 3.14Å
53	K	66.1	Low	82.8	Confident	145 Å²	145	59.9 Å²	59.9	63%	0.63	33%	0.334	S	S	*	.			trans	-151.4	159.3	165.4	-71.8	-158.2	177.6	176.6	0	114.2	Y57	K53-Y57 HydrophobicContact CB-CD1 4.19Å
54	G	57.9	Low	82.8	Confident	56 Å²	56	59.9 Å²	59.9	58%	0.577	33%	0.333	S	S	*	.			trans	-66.9	176.2	-162.2	0	0	0	0	0	117.4	N56 Y57	G54-N56 PolarHBondContact O-N 2.91Å; G54-Y57 PolarHBondContact O-N 2.93Å; G54-Y57 VanDerWaalsContact O-N 3.13Å
55	D	62.6	Low	82.9	Confident	138 Å²	138	58.8 Å²	58.8	74%	0.738	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-7.4	-159.2	-64.2	-42	0	0	0	117.6	K10	K10-D55 IonicContact NZ-OD1 3Å; K10-D55 PolarHBondContact NZ-OD1 2.76Å
56	N	65.6	Low	82.9	Confident	168 Å²	168	54.1 Å²	54.1	90%	0.898	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	6.8	-176.8	-67.2	-22.5	0	0	0	114.6	G54	G54-N56 PolarHBondContact O-N 2.91Å
57	Y	67.4	Low	82.9	Confident	105 Å²	105	52.7 Å²	52.7	41%	0.412	30%	0.295	S	S	.	.			trans	-114.4	119.3	-179.1	178.8	-97.9	0	0	0	111.1	V49 K53 G54 P59	V49-Y57 WeakPolarHBondContact O-CE1 3.48Å; K53-Y57 HydrophobicContact CB-CD1 4.19Å; G54-Y57 PolarHBondContact O-N 2.93Å; G54-Y57 VanDerWaalsContact O-N 3.13Å; Y57-P59 HydrophobicContact CE1-CB 4.13Å
58	N	76.2	Confident	82.9	Confident	104 Å²	104	52.6 Å²	52.6	56%	0.556	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-102.7	116.2	170.3	-77.1	-15.1	0	0	0	109.6	Q121	N58-Q121 PolarHBondContact ND2-OE1 2.99Å; N58-Q121 VanDerWaalsContact ND2-OE1 3.11Å
59	P	82.5	Confident	83	Confident	17 Å²	17	50.3 Å²	50.3	11%	0.11	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-59.9	147.1	174.2	23.5	-32.8	0	0	0	111.2	L8 Y57 I64	L8-P59 HydrophobicContact CD1-CG 4.01Å; Y57-P59 HydrophobicContact CE1-CB 4.13Å; P59-I64 HydrophobicContact CB-CD1 4.34Å; P59-I64 HydrophobicContact CB-CG1 4.06Å; P59-I64 HydrophobicContact CG-CD1 4.01Å; P59-I64 HydrophobicContact CG-CG1 4.18Å
60	T	88.3	Confident	83.1	Confident	83 Å²	83	48.1 Å²	48.1	51%	0.509	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-71.1	150.2	173.9	62	0	0	0	0	109.9	E62 A63 I64	T60-E62 PolarHBondContact O-N 3.19Å; T60-E62 VanDerWaalsContact O-N 3.12Å; T60-A63 PolarHBondContact O-N 3.02Å; T60-A63 WeakPolarHBondContact OG1-CB 3.46Å; T60-A63 PolarHBondContact OG1-N 2.71Å; T60-A63 VanDerWaalsContact OG1-N 3.16Å; T60-I64 PolarHBondContact O-N 2.82Å
61	V	92.9	Very high	83.1	Confident	32 Å²	32	47.9 Å²	47.9	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-52.4	-34.8	172.9	-67.3	0	0	0	0	111.7	I64 A65 Y115 A118 L122	V61-I64 PolarHBondContact O-N 3.37Å; V61-A65 WeakPolarHBondContact O-CB 3.4Å; V61-A65 PolarHBondContact O-N 3.07Å; V61-Y115 HydrophobicContact CB-CE2 4.15Å; V61-Y115 WeakPolarHBondContact O-CE2 3.4Å; V61-A118 HydrophobicContact CG1-CB 3.82Å; V61-L122 HydrophobicContact CG1-CD2 4.3Å; V61-L122 HydrophobicContact CG2-CD2 4.36Å
62	E	92	Very high	83.2	Confident	64 Å²	64	50.5 Å²	50.5	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-70.4	-37.8	179.7	-164.9	56.2	-137.7	0	0	113.4	T60 A65 S66 S335 S337	T60-E62 PolarHBondContact O-N 3.19Å; T60-E62 VanDerWaalsContact O-N 3.12Å; E62-A65 PolarHBondContact O-N 3.46Å; E62-S66 WeakPolarHBondContact O-CB 3.4Å; E62-S66 PolarHBondContact O-N 3.04Å; E62-S66 PolarHBondContact O-OG 2.99Å; E62-S335 WeakPolarHBondContact OE1-CB 3.41Å; E62-S335 PolarHBondContact OE1-OG 3.08Å; E62-S337 PolarHBondContact OE1-OG 3.36Å
63	A	92.2	Very high	84	Confident	21 Å²	21	50.6 Å²	50.6	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-40.1	176.3	0	0	0	0	0	111.3	V49 T60 Y67	V49-A63 HydrophobicContact CG1-CB 3.89Å; T60-A63 PolarHBondContact O-N 3.02Å; T60-A63 WeakPolarHBondContact OG1-CB 3.46Å; T60-A63 PolarHBondContact OG1-N 2.71Å; T60-A63 VanDerWaalsContact OG1-N 3.16Å; A63-Y67 PolarHBondContact O-N 2.93Å; A63-Y67 VanDerWaalsContact O-N 3.13Å
64	I	94.6	Very high	85.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-44.5	175.8	-54.8	173.2	0	0	0	110.4	A50 P59 T60 V61 Y67 H68 V111 C114 Y115 A118	A50-I64 HydrophobicContact CB-CG1 4.36Å; P59-I64 HydrophobicContact CB-CD1 4.34Å; P59-I64 HydrophobicContact CB-CG1 4.06Å; P59-I64 HydrophobicContact CG-CD1 4.01Å; P59-I64 HydrophobicContact CG-CG1 4.18Å; T60-I64 PolarHBondContact O-N 2.82Å; V61-I64 PolarHBondContact O-N 3.37Å; I64-Y67 PolarHBondContact O-N 3.26Å; I64-H68 WeakPolarHBondContact O-CB 3.47Å; I64-H68 PolarHBondContact O-N 2.83Å; I64-V111 HydrophobicContact CG2-CG1 3.76Å; I64-V111 WeakPolarHBondContact CG2-O 3.37Å; I64-C114 HydrophobicContact CD1-CB 4.25Å; I64-Y115 HydrophobicContact CB-CD2 4.3Å; I64-Y115 HydrophobicContact CG2-CD2 4.32Å; I64-A118 HydrophobicContact CD1-CB 3.59Å
65	A	94.6	Very high	86.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.3	-49.9	176.5	0	0	0	0	0	111.7	V61 E62 Y67 H68 D69 Y115 L334	V61-A65 WeakPolarHBondContact O-CB 3.4Å; V61-A65 PolarHBondContact O-N 3.07Å; E62-A65 PolarHBondContact O-N 3.46Å; A65-Y67 VanDerWaalsContact C-N 3.35Å; A65-Y67 PolarHBondContact O-N 3.47Å; A65-H68 PolarHBondContact O-N 3.12Å; A65-D69 WeakPolarHBondContact O-CB 3.46Å; A65-D69 PolarHBondContact O-N 3.17Å; A65-Y115 HydrophobicContact CB-CD2 4.4Å; A65-Y115 HydrophobicContact CB-CE2 3.93Å; A65-L334 HydrophobicContact CB-CB 3.71Å
66	S	93	Very high	87.5	Confident	16 Å²	16	37.8 Å²	37.8	11%	0.112	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-42.9	179.6	-65	0	0	0	0	112.5	E62 D69 A70	E62-S66 WeakPolarHBondContact O-CB 3.4Å; E62-S66 PolarHBondContact O-N 3.04Å; E62-S66 PolarHBondContact O-OG 2.99Å; S66-D69 PolarHBondContact O-N 3.38Å; S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.29Å; S66-A70 VanDerWaalsContact O-N 3.07Å
67	Y	94.3	Very high	88.6	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-46.1	175.8	175.9	-126.6	0	0	0	111.9	L16 L43 M46 R47 A50 A63 I64 A65 D69 A70 M71 E107 V111	L16-Y67 HydrophobicContact CD1-CE2 4.17Å; L43-Y67 HydrophobicContact CD1-CD2 3.97Å; L43-Y67 HydrophobicContact CD1-CE2 3.9Å; L43-Y67 HydrophobicContact CG-CE2 4.34Å; M46-Y67 HydrophobicContact CB-CD2 4.01Å; M46-Y67 HydrophobicContact CB-CG 4.4Å; R47-Y67 HydrophobicContact CB-CD2 4.02Å; R47-Y67 HydrophobicContact CB-CE1 4.16Å; R47-Y67 HydrophobicContact CB-CE2 3.51Å; R47-Y67 VanDerWaalsContact CD-OH 3.24Å; R47-Y67 WeakPolarHBondContact CD-OH 3.42Å; R47-Y67 HydrophobicContact CG-CE1 3.94Å; R47-Y67 HydrophobicContact CG-CE2 4.05Å; R47-Y67 WeakPolarHBondContact CG-OH 3.41Å; R47-Y67 PolarHBondContact NE-OH 3.25Å; A50-Y67 HydrophobicContact CB-CD1 4.02Å; A50-Y67 HydrophobicContact CB-CG 4.22Å; A63-Y67 PolarHBondContact O-N 2.93Å; A63-Y67 VanDerWaalsContact O-N 3.13Å; I64-Y67 PolarHBondContact O-N 3.26Å; A65-Y67 VanDerWaalsContact C-N 3.35Å; A65-Y67 PolarHBondContact O-N 3.47Å; Y67-D69 VanDerWaalsContact C-N 3.32Å; Y67-D69 PolarHBondContact O-N 3.41Å; Y67-A70 PolarHBondContact O-N 3.05Å; Y67-M71 HydrophobicContact CD2-CG 4.03Å; Y67-M71 HydrophobicContact CE1-CG 4.34Å; Y67-M71 HydrophobicContact CE2-CG 3.45Å; Y67-M71 VanDerWaalsContact CE2-CG 3.45Å; Y67-M71 HydrophobicContact CE2-SD 3.94Å; Y67-M71 WeakPolarHBondContact O-CG 3.4Å; Y67-M71 PolarHBondContact O-N 3.44Å; Y67-E107 PolarHBondContact OH-OE1 3.37Å; Y67-V111 HydrophobicContact CD1-CG1 3.87Å; Y67-V111 HydrophobicContact CD1-CG2 3.85Å; Y67-V111 HydrophobicContact CE1-CG1 4.34Å; Y67-V111 HydrophobicContact CE1-CG2 3.48Å; Y67-V111 VanDerWaalsContact CE1-CG2 3.48Å
68	H	94.2	Very high	89.6	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-46.2	177.1	172.3	-82.5	0	0	0	111.3	I64 A65 A70 M71 Y72 R108 V111 F332 L334	I64-H68 WeakPolarHBondContact O-CB 3.47Å; I64-H68 PolarHBondContact O-N 2.83Å; A65-H68 PolarHBondContact O-N 3.12Å; H68-A70 PolarHBondContact O-N 2.98Å; H68-M71 WeakPolarHBondContact O-CB 3Å; H68-M71 PolarHBondContact O-N 2.96Å; H68-Y72 WeakPolarHBondContact O-CB 3.49Å; H68-Y72 PolarHBondContact O-N 3.2Å; H68-R108 PolarHBondContact NE2-NE 3.13Å; H68-R108 PolarHBondContact NE2-NH2 3.36Å; H68-V111 HydrophobicContact CB-CG1 3.92Å; H68-F332 AromaticContact CE1-CD1 3.4Å; H68-F332 VanDerWaalsContact CE1-CD1 3.4Å; H68-F332 WeakPolarHBondContact CE1-CD1 3.31Å; H68-F332 AromaticContact CE1-CE1 3.09Å; H68-F332 WeakPolarHBondContact CE1-CE1 3.15Å; H68-F332 AromaticContact CE1-CZ 3.96Å; H68-F332 AromaticContact ND1-CD1 3.87Å; H68-F332 AromaticContact ND1-CE1 3.77Å; H68-F332 AromaticContact NE2-CE1 3.84Å; H68-L334 HydrophobicContact CB-CD1 4.01Å; H68-L334 WeakPolarHBondContact ND1-CD1 3.49Å
69	D	92	Very high	89.7	Confident	6 Å²	6	23.4 Å²	23.4	3%	0.032	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-40	-177.2	-65.6	-22.4	0	0	0	111.6	A65 S66 Y67 Y72 Q73 P333 L334 S335	A65-D69 WeakPolarHBondContact O-CB 3.46Å; A65-D69 PolarHBondContact O-N 3.17Å; S66-D69 PolarHBondContact O-N 3.38Å; Y67-D69 VanDerWaalsContact C-N 3.32Å; Y67-D69 PolarHBondContact O-N 3.41Å; D69-Y72 PolarHBondContact O-N 3.28Å; D69-Q73 WeakPolarHBondContact O-CG 3.4Å; D69-Q73 PolarHBondContact O-N 3.31Å; D69-P333 HydrophobicContact CB-CB 4.17Å; D69-P333 WeakPolarHBondContact OD2-CB 3.26Å; D69-L334 PolarHBondContact OD1-N 3.46Å; D69-L334 PolarHBondContact OD2-N 3.03Å; D69-S335 WeakPolarHBondContact OD2-CB 3.46Å; D69-S335 PolarHBondContact OD2-N 3.25Å
70	A	92	Very high	89	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-40.9	173.5	0	0	0	0	0	111.9	L43 M46 S66 Y67 H68 Q73 L74 Y342 F343	L43-A70 HydrophobicContact CD1-CB 3.56Å; M46-A70 HydrophobicContact SD-CB 4.32Å; S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.29Å; S66-A70 VanDerWaalsContact O-N 3.07Å; Y67-A70 PolarHBondContact O-N 3.05Å; H68-A70 PolarHBondContact O-N 2.98Å; A70-Q73 PolarHBondContact O-N 3.45Å; A70-L74 PolarHBondContact O-N 3.26Å; A70-Y342 HydrophobicContact CB-CD2 3.72Å; A70-Y342 HydrophobicContact CB-CE2 3.9Å; A70-Y342 HydrophobicContact CB-CG 4.39Å; A70-F343 WeakPolarHBondContact O-CE2 3.39Å
71	M	90.7	Very high	88	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-40.1	174.1	-75.3	-66.6	-63.9	0	0	112.5	F20 L43 Y67 H68 L74 E75 F88 L104 E107 R108	F20-M71 HydrophobicContact CE2-SD 4.32Å; F20-M71 HydrophobicContact CZ-CE 4.32Å; F20-M71 HydrophobicContact CZ-SD 4.43Å; L43-M71 HydrophobicContact CD1-CG 4.14Å; L43-M71 HydrophobicContact CD1-SD 4.08Å; L43-M71 HydrophobicContact CD2-SD 4.09Å; L43-M71 HydrophobicContact CG-SD 4.48Å; Y67-M71 HydrophobicContact CD2-CG 4.03Å; Y67-M71 HydrophobicContact CE1-CG 4.34Å; Y67-M71 HydrophobicContact CE2-CG 3.45Å; Y67-M71 VanDerWaalsContact CE2-CG 3.45Å; Y67-M71 HydrophobicContact CE2-SD 3.94Å; Y67-M71 WeakPolarHBondContact O-CG 3.4Å; Y67-M71 PolarHBondContact O-N 3.44Å; H68-M71 WeakPolarHBondContact O-CB 3Å; H68-M71 PolarHBondContact O-N 2.96Å; M71-L74 PolarHBondContact O-N 2.66Å; M71-E75 PolarHBondContact O-N 3.28Å; M71-F88 HydrophobicContact CE-CZ 4.33Å; M71-L104 HydrophobicContact CE-CD2 3.61Å; M71-E107 HydrophobicContact CE-CB 4.41Å; M71-E107 HydrophobicContact CE-CG 3.99Å; M71-R108 HydrophobicContact CB-CG 4.3Å
72	Y	88.1	Confident	86.6	Confident	68 Å²	68	26.1 Å²	26.1	27%	0.267	14%	0.144	S	C	.	.	H	α-helix	trans	-62	-44.9	176.4	-178.9	-111.9	0	0	0	111.3	H68 D69 L74 E75 R108 F332 E587	H68-Y72 WeakPolarHBondContact O-CB 3.49Å; H68-Y72 PolarHBondContact O-N 3.2Å; D69-Y72 PolarHBondContact O-N 3.28Å; Y72-L74 VanDerWaalsContact C-N 3.34Å; Y72-L74 PolarHBondContact O-N 2.9Å; Y72-E75 PolarHBondContact O-N 3.47Å; Y72-R108 VanDerWaalsContact CD2-NH2 3.29Å; Y72-F332 HydrophobicContact CD1-CB 4.2Å; Y72-F332 HydrophobicContact CE1-CB 4.1Å; Y72-E587 PolarHBondContact OH-OE1 3.27Å; Y72-E587 VanDerWaalsContact OH-OE1 3.08Å
73	Q	87.2	Confident	85.2	Confident	35 Å²	35	23.7 Å²	23.7	16%	0.164	13%	0.134	C	C	.	.	H	α-helix	trans	-57.9	-46.2	173.8	-73.4	176.4	18.1	0	0	111.5	D69 A70 R77 K340 D341 F343	D69-Q73 WeakPolarHBondContact O-CG 3.4Å; D69-Q73 PolarHBondContact O-N 3.31Å; A70-Q73 PolarHBondContact O-N 3.45Å; Q73-R77 VanDerWaalsContact C-NH1 3.33Å; Q73-R77 WeakPolarHBondContact O-CD 3.49Å; Q73-R77 PolarHBondContact O-NH1 3.33Å; Q73-K340 PolarHBondContact NE2-O 3.07Å; Q73-D341 PolarHBondContact OE1-OD1 2.96Å; Q73-F343 HydrophobicContact CB-CD2 4.17Å
74	L	89.6	Confident	84.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-38.6	-177.8	-173.5	58.4	0	0	0	112.7	F20 L43 A70 M71 Y72 G76 R77 L78 F343 L346	F20-L74 HydrophobicContact CD1-CD2 3.78Å; F20-L74 HydrophobicContact CD2-CD2 3.92Å; F20-L74 HydrophobicContact CE1-CD2 3.67Å; F20-L74 HydrophobicContact CE2-CD2 3.79Å; F20-L74 HydrophobicContact CG-CD2 3.91Å; F20-L74 HydrophobicContact CZ-CD2 3.67Å; L43-L74 HydrophobicContact CD2-CD2 3.94Å; A70-L74 PolarHBondContact O-N 3.26Å; M71-L74 PolarHBondContact O-N 2.66Å; Y72-L74 VanDerWaalsContact C-N 3.34Å; Y72-L74 PolarHBondContact O-N 2.9Å; L74-G76 PolarHBondContact O-N 3.43Å; L74-R77 PolarHBondContact O-N 3.3Å; L74-R77 VanDerWaalsContact O-N 3.07Å; L74-L78 HydrophobicContact CD1-CD1 4.03Å; L74-L78 HydrophobicContact CD1-CG 4.13Å; L74-L78 HydrophobicContact CD2-CD1 4.3Å; L74-L78 HydrophobicContact CG-CD1 3.83Å; L74-L78 HydrophobicContact CG-CG 4.3Å; L74-L78 PolarHBondContact O-N 3.29Å; L74-F343 HydrophobicContact CB-CD2 3.98Å; L74-F343 HydrophobicContact CB-CE2 3.71Å; L74-F343 HydrophobicContact CB-CZ 4.2Å; L74-F343 HydrophobicContact CD1-CD1 3.96Å; L74-F343 HydrophobicContact CD1-CD2 4.23Å; L74-F343 HydrophobicContact CD1-CE1 3.96Å; L74-F343 HydrophobicContact CD1-CE2 4.22Å; L74-F343 HydrophobicContact CD1-CG 4.11Å; L74-F343 HydrophobicContact CD1-CZ 4.09Å; L74-F343 HydrophobicContact CD2-CE2 4.46Å; L74-F343 HydrophobicContact CD2-CZ 4.12Å; L74-F343 HydrophobicContact CG-CE2 4.35Å; L74-F343 HydrophobicContact CG-CZ 4.37Å; L74-L346 HydrophobicContact CD1-CD1 3.96Å
75	E	86.4	Confident	83.3	Confident	38 Å²	38	32.6 Å²	32.6	18%	0.178	17%	0.171	C	C	.	.	H	α-helix	trans	-57.6	-45.1	-177.8	-175.4	177.2	-168.8	0	0	112.3	M71 Y72 R77 L78 L104 K105 R108	M71-E75 PolarHBondContact O-N 3.28Å; Y72-E75 PolarHBondContact O-N 3.47Å; E75-R77 PolarHBondContact O-N 2.94Å; E75-L78 PolarHBondContact O-N 2.99Å; E75-L104 HydrophobicContact CB-CD1 4.05Å; E75-L104 HydrophobicContact CG-CB 4.34Å; E75-L104 HydrophobicContact CG-CD1 4.13Å; E75-K105 WeakPolarHBondContact OE1-CG 3.37Å; E75-R108 WeakPolarHBondContact OE2-CD 3.31Å; E75-R108 IonicContact OE2-CZ 3.55Å; E75-R108 IonicContact OE2-NE 2.69Å; E75-R108 IonicContact OE2-NH1 3.3Å; E75-R108 PolarHBondContact OE2-NH1 2.69Å
76	G	83.7	Confident	83	Confident	33 Å²	33	32.6 Å²	32.6	34%	0.34	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.6	179.1	0	0	0	0	0	115.2	L74 M349	L74-G76 PolarHBondContact O-N 3.43Å; G76-M349 PolarHBondContact O-N 2.98Å
77	R	89.6	Confident	82.8	Confident	27 Å²	27	34.8 Å²	34.8	10%	0.102	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-7.2	-178.2	-66.6	159.9	165.3	100	-8.1	112.8	Q27 Y28 Q73 L74 E75 D341 F343 L346	Q27-R77 PolarHBondContact NE2-O 3.34Å; Y28-R77 WeakPolarHBondContact CE2-O 3.38Å; Y28-R77 PolarHBondContact OH-O 2.81Å; Q73-R77 VanDerWaalsContact C-NH1 3.33Å; Q73-R77 WeakPolarHBondContact O-CD 3.49Å; Q73-R77 PolarHBondContact O-NH1 3.33Å; L74-R77 PolarHBondContact O-N 3.3Å; L74-R77 VanDerWaalsContact O-N 3.07Å; E75-R77 PolarHBondContact O-N 2.94Å; R77-D341 IonicContact CZ-OD1 2.89Å; R77-D341 IonicContact NH1-OD1 2.71Å; R77-D341 IonicContact NH2-OD1 3.03Å; R77-D341 PolarHBondContact NH2-OD1 3.45Å; R77-D341 IonicContact NH2-OD2 3.78Å; R77-D341 PolarHBondContact NH2-OD2 3.37Å; R77-F343 PolarHBondContact NE-O 2.88Å; R77-F343 VanDerWaalsContact NE-O 3.11Å; R77-L346 HydrophobicContact CB-CB 4.1Å; R77-L346 WeakPolarHBondContact CD-O 3.48Å; R77-L346 HydrophobicContact CG-CB 4.14Å; R77-L346 PolarHBondContact NE-O 2.95Å
78	L	86.9	Confident	82.7	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	18%	0.182	C	C	.	.	S	Bend	trans	-106.9	140.9	177.2	-64.3	179.5	0	0	0	109.5	F20 I24 L74 E75 A83 L104	F20-L78 HydrophobicContact CD1-CD1 3.82Å; F20-L78 HydrophobicContact CE1-CD1 3.72Å; I24-L78 HydrophobicContact CG1-CD2 4.07Å; L74-L78 HydrophobicContact CD1-CD1 4.03Å; L74-L78 HydrophobicContact CD1-CG 4.13Å; L74-L78 HydrophobicContact CD2-CD1 4.3Å; L74-L78 HydrophobicContact CG-CD1 3.83Å; L74-L78 HydrophobicContact CG-CG 4.3Å; L74-L78 PolarHBondContact O-N 3.29Å; E75-L78 PolarHBondContact O-N 2.99Å; L78-A83 HydrophobicContact CB-CB 4.1Å; L78-L104 HydrophobicContact CD1-CD1 4.4Å
79	N	78.9	Confident	82.6	Confident	42 Å²	42	39.1 Å²	39.1	23%	0.225	20%	0.201	C	C	.	.			trans	-68.1	149.8	170.1	77.1	40.3	0	0	0	109.6	Q27 N81 I82 A83 M349	Q27-N79 PolarHBondContact OE1-ND2 3.37Å; N79-N81 PolarHBondContact O-N 3.21Å; N79-N81 PolarHBondContact OD1-N 3.22Å; N79-I82 WeakPolarHBondContact ND2-CD1 3.39Å; N79-I82 PolarHBondContact O-N 3.01Å; N79-I82 VanDerWaalsContact O-N 3.13Å; N79-I82 WeakPolarHBondContact OD1-CB 3.5Å; N79-I82 WeakPolarHBondContact OD1-CG1 3.03Å; N79-I82 PolarHBondContact OD1-N 3.45Å; N79-A83 WeakPolarHBondContact O-CB 3.44Å; N79-A83 PolarHBondContact O-N 3.05Å; N79-M349 HydrophobicContact CB-CE 4.19Å; N79-M349 HydrophobicContact CB-SD 4.32Å
80	V	69.1	Low	82.7	Confident	91 Å²	91	38.9 Å²	38.9	55%	0.552	20%	0.199	S	C	*	.	H	α-helix	trans	-58.2	-38.6	-173.1	179.7	0	0	0	0	111.9	I82 A83 S84 Y783	V80-I82 VanDerWaalsContact C-N 3.32Å; V80-I82 PolarHBondContact O-N 2.79Å; V80-A83 PolarHBondContact O-N 3.44Å; V80-S84 WeakPolarHBondContact O-CB 3.38Å; V80-S84 PolarHBondContact O-N 3.4Å; V80-S84 VanDerWaalsContact O-N 3.12Å; V80-S84 PolarHBondContact O-OG 3.5Å; V80-S84 VanDerWaalsContact O-OG 3.14Å; V80-Y783 HydrophobicContact CG2-CE1 4.32Å
81	N	66.3	Low	82.8	Confident	89 Å²	89	40.5 Å²	40.5	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-67.9	-28.1	-178.3	-70.4	-18.7	0	0	0	113.8	N79 S84 R85	N79-N81 PolarHBondContact O-N 3.21Å; N79-N81 PolarHBondContact OD1-N 3.22Å; N81-S84 PolarHBondContact O-OG 3.29Å; N81-R85 PolarHBondContact O-NE 3.33Å
82	I	63.6	Low	82.8	Confident	9 Å²	9	40.6 Å²	40.6	5%	0.046	21%	0.211	C	C	.	.	H	α-helix	trans	-88.7	-43.3	178.5	-72.1	-179.5	0	0	0	109.2	L23 L26 Q27 N79 V80 S84 R85	L23-I82 HydrophobicContact CB-CG2 3.44Å; L23-I82 VanDerWaalsContact CB-CG2 3.44Å; L23-I82 HydrophobicContact CD1-CG2 4.21Å; L23-I82 WeakPolarHBondContact CD1-O 3.37Å; L23-I82 HydrophobicContact CD2-CB 4.45Å; L23-I82 HydrophobicContact CD2-CG2 3.55Å; L23-I82 HydrophobicContact CG-CG2 3.87Å; L26-I82 HydrophobicContact CB-CD1 4.4Å; L26-I82 HydrophobicContact CD2-CD1 3.91Å; L26-I82 HydrophobicContact CD2-CG1 4.11Å; L26-I82 HydrophobicContact CG-CD1 4.19Å; Q27-I82 HydrophobicContact CB-CD1 3.78Å; Q27-I82 HydrophobicContact CG-CD1 4.31Å; N79-I82 WeakPolarHBondContact ND2-CD1 3.39Å; N79-I82 PolarHBondContact O-N 3.01Å; N79-I82 VanDerWaalsContact O-N 3.13Å; N79-I82 WeakPolarHBondContact OD1-CB 3.5Å; N79-I82 WeakPolarHBondContact OD1-CG1 3.03Å; N79-I82 PolarHBondContact OD1-N 3.45Å; V80-I82 VanDerWaalsContact C-N 3.32Å; V80-I82 PolarHBondContact O-N 2.79Å; I82-S84 PolarHBondContact O-N 3.19Å; I82-S84 VanDerWaalsContact O-N 3.15Å; I82-R85 WeakPolarHBondContact O-CB 3.04Å; I82-R85 PolarHBondContact O-N 2.87Å; I82-R85 VanDerWaalsContact O-N 3.16Å
83	A	62.4	Low	83	Confident	12 Å²	12	38.4 Å²	38.4	10%	0.099	20%	0.204	C	C	.	.	H	α-helix	trans	-56.6	-29	175.5	0	0	0	0	0	113	L78 N79 V80 R85 L104	L78-A83 HydrophobicContact CB-CB 4.1Å; N79-A83 WeakPolarHBondContact O-CB 3.44Å; N79-A83 PolarHBondContact O-N 3.05Å; V80-A83 PolarHBondContact O-N 3.44Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.77Å; A83-L104 HydrophobicContact CB-CD1 3.6Å; A83-L104 HydrophobicContact CB-CG 4Å
84	S	69.3	Low	83	Confident	52 Å²	52	38.6 Å²	38.6	36%	0.364	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	18.5	179.8	65.3	0	0	0	0	115.2	V80 N81 I82 S102	V80-S84 WeakPolarHBondContact O-CB 3.38Å; V80-S84 PolarHBondContact O-N 3.4Å; V80-S84 VanDerWaalsContact O-N 3.12Å; V80-S84 PolarHBondContact O-OG 3.5Å; V80-S84 VanDerWaalsContact O-OG 3.14Å; N81-S84 PolarHBondContact O-OG 3.29Å; I82-S84 PolarHBondContact O-N 3.19Å; I82-S84 VanDerWaalsContact O-N 3.15Å; S84-S102 CarbonylContact C-O 3.6Å; S84-S102 WeakPolarHBondContact CA-O 2.96Å; S84-S102 WeakPolarHBondContact CB-O 3.44Å; S84-S102 WeakPolarHBondContact O-CB 3.36Å
85	R	77.9	Confident	82.8	Confident	157 Å²	157	41.2 Å²	41.2	59%	0.592	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-9.6	-178.2	-65.4	-172.8	177.4	-137.6	1.9	114.9	L23 N81 I82 A83	L23-R85 HydrophobicContact CD1-CB 4.37Å; L23-R85 HydrophobicContact CD2-CB 3.81Å; L23-R85 HydrophobicContact CD2-CG 4.16Å; N81-R85 PolarHBondContact O-NE 3.33Å; I82-R85 WeakPolarHBondContact O-CB 3.04Å; I82-R85 PolarHBondContact O-N 2.87Å; I82-R85 VanDerWaalsContact O-N 3.16Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.77Å
86	I	87.8	Confident	82.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-99	120.7	-179.9	-56.9	-172.9	0	0	0	109.8	V14 L16 Q19 F20 L23 F88 S102	V14-I86 HydrophobicContact CG1-CG2 3.8Å; L16-I86 HydrophobicContact CD2-CG2 4.19Å; Q19-I86 HydrophobicContact CB-CD1 3.66Å; Q19-I86 HydrophobicContact CB-CG1 3.93Å; F20-I86 HydrophobicContact CD1-CD1 3.52Å; F20-I86 HydrophobicContact CD2-CD1 3.83Å; F20-I86 HydrophobicContact CE1-CD1 3.43Å; F20-I86 VanDerWaalsContact CE1-CD1 3.43Å; F20-I86 HydrophobicContact CE2-CD1 3.75Å; F20-I86 HydrophobicContact CG-CD1 3.72Å; F20-I86 HydrophobicContact CZ-CD1 3.56Å; L23-I86 HydrophobicContact CD1-CD1 3.86Å; L23-I86 HydrophobicContact CD1-CG1 3.72Å; I86-F88 HydrophobicContact CB-CE2 3.97Å; I86-F88 HydrophobicContact CB-CZ 4.1Å; I86-F88 HydrophobicContact CG2-CD2 4.48Å; I86-F88 HydrophobicContact CG2-CE1 4.07Å; I86-F88 HydrophobicContact CG2-CE2 3.91Å; I86-F88 HydrophobicContact CG2-CZ 3.69Å; I86-F88 VanDerWaalsContact O-CD2 3.26Å; I86-F88 WeakPolarHBondContact O-CD2 3.38Å; I86-F88 WeakPolarHBondContact O-CE2 3.18Å; I86-S102 WeakPolarHBondContact O-CA 3.35Å
87	D	89.3	Confident	83.2	Confident	62 Å²	62	47.5 Å²	47.5	33%	0.332	26%	0.259	S	S	.	.			trans	-77.7	119.6	176.1	-83.5	-10.1	0	0	0	112	K100 S102	D87-K100 HydrophobicContact CB-CD 4.01Å; D87-K100 HydrophobicContact CB-CG 4.08Å; D87-K100 WeakPolarHBondContact OD2-CD 3.31Å; D87-K100 VanDerWaalsContact OD2-CE 3.29Å; D87-K100 WeakPolarHBondContact OD2-CE 3.28Å; D87-K100 IonicContact OD2-NZ 2.75Å; D87-K100 PolarHBondContact OD2-NZ 3.05Å; D87-S102 WeakPolarHBondContact OD1-CB 3.49Å; D87-S102 PolarHBondContact OD1-OG 3.39Å
88	F	91.6	Very high	83.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132	170.9	-58.5	-83.3	0	0	0	110.1	L16 M71 I86 K100 E101 L104 F106 E107	L16-F88 HydrophobicContact CD2-CE1 3.75Å; L16-F88 HydrophobicContact CD2-CZ 4.2Å; M71-F88 HydrophobicContact CE-CZ 4.33Å; I86-F88 HydrophobicContact CB-CE2 3.97Å; I86-F88 HydrophobicContact CB-CZ 4.1Å; I86-F88 HydrophobicContact CG2-CD2 4.48Å; I86-F88 HydrophobicContact CG2-CE1 4.07Å; I86-F88 HydrophobicContact CG2-CE2 3.91Å; I86-F88 HydrophobicContact CG2-CZ 3.69Å; I86-F88 VanDerWaalsContact O-CD2 3.26Å; I86-F88 WeakPolarHBondContact O-CD2 3.38Å; I86-F88 WeakPolarHBondContact O-CE2 3.18Å; F88-K100 CarbonylContact O-C 3.55Å; F88-K100 VanDerWaalsContact O-CA 3.28Å; F88-K100 WeakPolarHBondContact O-CA 3.45Å; F88-E101 PolarHBondContact N-O 3.34Å; F88-E101 PolarHBondContact O-N 2.88Å; F88-L104 HydrophobicContact CE2-CD2 3.97Å; F88-L104 HydrophobicContact CZ-CD2 3.97Å; F88-F106 HydrophobicContact CB-CD1 4.1Å; F88-F106 HydrophobicContact CB-CE1 4.29Å; F88-F106 WeakPolarHBondContact O-CE1 3.47Å; F88-E107 HydrophobicContact CB-CB 4.5Å; F88-E107 WeakPolarHBondContact CB-OE2 3.46Å; F88-E107 HydrophobicContact CD1-CB 3.88Å; F88-E107 HydrophobicContact CD1-CG 3.77Å; F88-E107 WeakPolarHBondContact CD1-OE2 3.29Å; F88-E107 HydrophobicContact CD2-CB 3.92Å; F88-E107 HydrophobicContact CE1-CB 3.93Å; F88-E107 VanDerWaalsContact CE1-CD 3.49Å; F88-E107 HydrophobicContact CE1-CG 3.64Å; F88-E107 HydrophobicContact CE2-CB 4.03Å; F88-E107 HydrophobicContact CG-CB 3.84Å; F88-E107 HydrophobicContact CG-CG 4.26Å; F88-E107 WeakPolarHBondContact CG-OE2 3.28Å; F88-E107 HydrophobicContact CZ-CB 4.02Å; F88-E107 HydrophobicContact CZ-CG 4.12Å
89	K	93.2	Very high	83.5	Confident	93 Å²	93	52.5 Å²	52.5	40%	0.404	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.9	178.2	-175.3	178.5	-179.3	177	0	111.1	S11 A12 K99 K100	S11-K89 WeakPolarHBondContact CA-O 3.31Å; S11-K89 PolarHBondContact OG-O 2.81Å; S11-K89 VanDerWaalsContact OG-O 3.11Å; A12-K89 HydrophobicContact CB-CB 4.01Å; A12-K89 HydrophobicContact CB-CD 4.42Å; A12-K89 HydrophobicContact CB-CG 4.49Å; A12-K89 PolarHBondContact N-O 3.28Å; K89-K99 WeakPolarHBondContact CA-O 3.45Å; K89-K100 HydrophobicContact CB-CB 4.42Å; K89-K100 HydrophobicContact CB-CG 4.37Å; K89-K100 HydrophobicContact CG-CB 4.49Å
90	W	94.1	Very high	84.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.8	179.6	-73.1	87.8	0	0	0	112	K9 C51 N98 K99 F106 E107 N110 V111 L163	K9-W90 HydrophobicContact CB-CE3 3.86Å; K9-W90 HydrophobicContact CB-CZ3 3.99Å; C51-W90 HydrophobicContact CB-CH2 3.87Å; C51-W90 HydrophobicContact CB-CZ2 4.31Å; W90-N98 CarbonylContact O-C 3.53Å; W90-N98 VanDerWaalsContact O-CA 3.28Å; W90-N98 WeakPolarHBondContact O-CA 3.49Å; W90-K99 PolarHBondContact N-O 3.34Å; W90-K99 PolarHBondContact O-N 2.87Å; W90-F106 HydrophobicContact CB-CE1 4.41Å; W90-F106 HydrophobicContact CB-CZ 4.14Å; W90-F106 AromaticContact CD1-CE1 3.61Å; W90-F106 HydrophobicContact CG-CE1 4.37Å; W90-F106 HydrophobicContact CG-CZ 4.5Å; W90-E107 PolarHBondContact NE1-OE2 2.94Å; W90-N110 HydrophobicContact CB-CB 4.46Å; W90-N110 WeakPolarHBondContact CB-OD1 3.48Å; W90-N110 HydrophobicContact CD2-CB 3.34Å; W90-N110 VanDerWaalsContact CE2-CB 3.4Å; W90-N110 HydrophobicContact CE3-CB 3.73Å; W90-N110 HydrophobicContact CG-CB 3.69Å; W90-N110 VanDerWaalsContact CG-CG 3.44Å; W90-N110 HydrophobicContact CH2-CB 4.14Å; W90-N110 HydrophobicContact CZ2-CB 3.83Å; W90-N110 HydrophobicContact CZ3-CB 4.1Å; W90-V111 HydrophobicContact CH2-CG2 4.24Å; W90-V111 HydrophobicContact CZ2-CG2 3.94Å; W90-L163 HydrophobicContact CB-CD1 4.2Å
91	S	92.9	Very high	85	Confident	34 Å²	34	54.8 Å²	54.8	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	150.8	170.1	-50.4	0	0	0	0	110.6	K9 K10 S97	K9-S91 PolarHBondContact NZ-O 3.02Å; K10-S91 PolarHBondContact O-N 3.28Å; S91-S97 CarbonylContact C-O 3.46Å; S91-S97 WeakPolarHBondContact CA-O 3.4Å
92	D	92	Very high	86	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.027	28%	0.28	C	S	.	.			trans	-68.2	164.8	169.4	78.2	-36.4	0	0	0	111.5	S94 G95 K96 S97 L163 D165	D92-S94 VanDerWaalsContact CG-OG 3.24Å; D92-S94 PolarHBondContact O-N 3.44Å; D92-S94 VanDerWaalsContact O-N 3.14Å; D92-S94 PolarHBondContact OD1-OG 3.39Å; D92-S94 WeakPolarHBondContact OD2-CB 3.5Å; D92-S94 PolarHBondContact OD2-OG 3.45Å; D92-G95 PolarHBondContact O-N 3.19Å; D92-G95 WeakPolarHBondContact OD1-CA 3.45Å; D92-G95 PolarHBondContact OD1-N 3.21Å; D92-K96 PolarHBondContact OD1-N 3.45Å; D92-S97 PolarHBondContact N-O 2.82Å; D92-S97 PolarHBondContact OD1-N 3.35Å; D92-L163 HydrophobicContact CB-CD2 4.48Å; D92-D165 WeakPolarHBondContact CA-OD2 3.42Å
93	I	91.8	Very high	87	Confident	22 Å²	22	53.8 Å²	53.8	11%	0.113	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.4	178.5	64	169.6	0	0	0	113.7	P7 K9 G95 F113 D165 F174 V225	P7-I93 HydrophobicContact CB-CB 4.3Å; P7-I93 WeakPolarHBondContact O-CG2 3.18Å; K9-I93 HydrophobicContact CG-CG2 3.75Å; I93-G95 VanDerWaalsContact C-N 3.32Å; I93-F113 HydrophobicContact CG2-CE1 3.41Å; I93-F113 VanDerWaalsContact CG2-CE1 3.41Å; I93-F113 HydrophobicContact CG2-CZ 3.59Å; I93-D165 HydrophobicContact CG1-CB 4.17Å; I93-D165 PolarHBondContact N-OD2 3.18Å; I93-F174 HydrophobicContact CD1-CE1 4.21Å; I93-F174 HydrophobicContact CD1-CZ 3.67Å; I93-V225 HydrophobicContact CD1-CG1 3.82Å; I93-V225 HydrophobicContact CG1-CG1 3.71Å
94	S	87.8	Confident	88.2	Confident	39 Å²	39	53.4 Å²	53.4	27%	0.273	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.8	175.6	86.5	0	0	0	0	113.1	D92 K96	D92-S94 VanDerWaalsContact CG-OG 3.24Å; D92-S94 PolarHBondContact O-N 3.44Å; D92-S94 VanDerWaalsContact O-N 3.14Å; D92-S94 PolarHBondContact OD1-OG 3.39Å; D92-S94 WeakPolarHBondContact OD2-CB 3.5Å; D92-S94 PolarHBondContact OD2-OG 3.45Å; S94-K96 PolarHBondContact O-N 3.33Å; S94-K96 WeakPolarHBondContact OG-CB 3.35Å; S94-K96 WeakPolarHBondContact OG-CG 3.27Å; S94-K96 PolarHBondContact OG-N 2.96Å
95	G	85.4	Confident	89	Confident	55 Å²	55	56.7 Å²	56.7	57%	0.567	29%	0.292	S	S	*	.	S	Bend	trans	70.3	4.4	-174.8	0	0	0	0	0	114.5	D92 I93	D92-G95 PolarHBondContact O-N 3.19Å; D92-G95 WeakPolarHBondContact OD1-CA 3.45Å; D92-G95 PolarHBondContact OD1-N 3.21Å; I93-G95 VanDerWaalsContact C-N 3.32Å
96	K	86.8	Confident	89.5	Confident	157 Å²	157	49.7 Å²	49.7	68%	0.683	27%	0.266	S	S	*	.	S	Bend	trans	-87.4	-28.4	-176.7	-63.1	174.5	-172.1	163.9	0	112.5	D92 S94	D92-K96 PolarHBondContact OD1-N 3.45Å; S94-K96 PolarHBondContact O-N 3.33Å; S94-K96 WeakPolarHBondContact OG-CB 3.35Å; S94-K96 WeakPolarHBondContact OG-CG 3.27Å; S94-K96 PolarHBondContact OG-N 2.96Å
97	S	90.8	Very high	89.7	Confident	45 Å²	45	49.7 Å²	49.7	32%	0.315	27%	0.266	S	S	.	.			trans	-116.8	134.5	-177.3	-65.1	0	0	0	0	109.5	S91 D92	S91-S97 CarbonylContact C-O 3.46Å; S91-S97 WeakPolarHBondContact CA-O 3.4Å; D92-S97 PolarHBondContact N-O 2.82Å; D92-S97 PolarHBondContact OD1-N 3.35Å
98	N	92.1	Very high	89.8	Confident	96 Å²	96	47.4 Å²	47.4	51%	0.513	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.5	173	61.9	89.5	0	0	0	110.1	W90	W90-N98 CarbonylContact O-C 3.53Å; W90-N98 VanDerWaalsContact O-CA 3.28Å; W90-N98 WeakPolarHBondContact O-CA 3.49Å
99	K	91	Very high	89.9	Confident	43 Å²	43	47.5 Å²	47.5	19%	0.187	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.3	178.5	-168.7	178.2	-171	-168.9	0	109.2	K89 W90 E101 F106 K160 D161 L163	K89-K99 WeakPolarHBondContact CA-O 3.45Å; W90-K99 PolarHBondContact N-O 3.34Å; W90-K99 PolarHBondContact O-N 2.87Å; K99-E101 WeakPolarHBondContact CE-OE2 3.3Å; K99-E101 IonicContact NZ-OE2 3.99Å; K99-E101 PolarHBondContact NZ-OE2 3.45Å; K99-F106 HydrophobicContact CB-CZ 4.14Å; K99-F106 HydrophobicContact CD-CE2 4.04Å; K99-F106 HydrophobicContact CD-CZ 4.4Å; K99-F106 HydrophobicContact CG-CE2 4.47Å; K99-F106 HydrophobicContact CG-CZ 4.34Å; K99-K160 PolarHBondContact NZ-O 3.37Å; K99-D161 WeakPolarHBondContact CE-O 3.15Å; K99-D161 PolarHBondContact NZ-O 3.4Å; K99-L163 HydrophobicContact CB-CD1 4.27Å; K99-L163 HydrophobicContact CB-CD2 3.8Å; K99-L163 HydrophobicContact CB-CG 3.91Å
100	K	90.5	Very high	89.9	Confident	130 Å²	130	43 Å²	43	57%	0.565	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.8	170.2	-171.6	-177.9	71.5	147.6	0	108	D87 F88 K89	D87-K100 HydrophobicContact CB-CD 4.01Å; D87-K100 HydrophobicContact CB-CG 4.08Å; D87-K100 WeakPolarHBondContact OD2-CD 3.31Å; D87-K100 VanDerWaalsContact OD2-CE 3.29Å; D87-K100 WeakPolarHBondContact OD2-CE 3.28Å; D87-K100 IonicContact OD2-NZ 2.75Å; D87-K100 PolarHBondContact OD2-NZ 3.05Å; F88-K100 CarbonylContact O-C 3.55Å; F88-K100 VanDerWaalsContact O-CA 3.28Å; F88-K100 WeakPolarHBondContact O-CA 3.45Å; K89-K100 HydrophobicContact CB-CB 4.42Å; K89-K100 HydrophobicContact CB-CG 4.37Å; K89-K100 HydrophobicContact CG-CB 4.49Å
101	E	87.8	Confident	89.9	Confident	51 Å²	51	43.1 Å²	43.1	24%	0.238	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	136.9	-178.5	-168.8	169.8	160.7	0	0	111.1	F88 K99 S103 F106	F88-E101 PolarHBondContact N-O 3.34Å; F88-E101 PolarHBondContact O-N 2.88Å; K99-E101 WeakPolarHBondContact CE-OE2 3.3Å; K99-E101 IonicContact NZ-OE2 3.99Å; K99-E101 PolarHBondContact NZ-OE2 3.45Å; E101-S103 PolarHBondContact O-N 2.86Å; E101-F106 HydrophobicContact CB-CB 4.31Å; E101-F106 HydrophobicContact CB-CD1 3.67Å; E101-F106 HydrophobicContact CB-CD2 4.19Å; E101-F106 HydrophobicContact CB-CE1 3.91Å; E101-F106 HydrophobicContact CB-CE2 4.44Å; E101-F106 HydrophobicContact CB-CG 3.8Å; E101-F106 HydrophobicContact CB-CZ 4.31Å; E101-F106 HydrophobicContact CG-CB 4.3Å; E101-F106 HydrophobicContact CG-CG 4.26Å
102	S	87.4	Confident	90.1	Very high	45 Å²	45	41.5 Å²	41.5	32%	0.315	22%	0.223	S	C	.	.			trans	-91.8	70.7	-177.3	-24.3	0	0	0	0	110.6	S84 I86 D87	S84-S102 CarbonylContact C-O 3.6Å; S84-S102 WeakPolarHBondContact CA-O 2.96Å; S84-S102 WeakPolarHBondContact CB-O 3.44Å; S84-S102 WeakPolarHBondContact O-CB 3.36Å; I86-S102 WeakPolarHBondContact O-CA 3.35Å; D87-S102 WeakPolarHBondContact OD1-CB 3.49Å; D87-S102 PolarHBondContact OD1-OG 3.39Å
103	S	84.9	Confident	90.2	Very high	31 Å²	31	41.2 Å²	41.2	22%	0.217	22%	0.221	C	C	.	.			trans	-152	128.3	-173.7	170.4	0	0	0	0	112.1	E101 K105 F106 E107	E101-S103 PolarHBondContact O-N 2.86Å; S103-K105 VanDerWaalsContact C-N 3.32Å; S103-K105 PolarHBondContact OG-N 3.46Å; S103-F106 WeakPolarHBondContact O-CB 3.44Å; S103-F106 PolarHBondContact O-N 3.26Å; S103-F106 PolarHBondContact OG-N 3.24Å; S103-E107 PolarHBondContact O-N 2.98Å
104	L	87	Confident	90.4	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-36.8	173.6	-60.5	-176.6	0	0	0	111.8	F20 M71 E75 L78 A83 F88 F106 E107 R108	F20-L104 HydrophobicContact CE1-CD2 3.96Å; F20-L104 HydrophobicContact CZ-CD2 3.61Å; M71-L104 HydrophobicContact CE-CD2 3.61Å; E75-L104 HydrophobicContact CB-CD1 4.05Å; E75-L104 HydrophobicContact CG-CB 4.34Å; E75-L104 HydrophobicContact CG-CD1 4.13Å; L78-L104 HydrophobicContact CD1-CD1 4.4Å; A83-L104 HydrophobicContact CB-CD1 3.6Å; A83-L104 HydrophobicContact CB-CG 4Å; F88-L104 HydrophobicContact CE2-CD2 3.97Å; F88-L104 HydrophobicContact CZ-CD2 3.97Å; L104-F106 VanDerWaalsContact C-N 3.3Å; L104-F106 PolarHBondContact O-N 2.82Å; L104-E107 PolarHBondContact O-N 3.24Å; L104-R108 WeakPolarHBondContact O-CB 3.31Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.02Å
105	K	86	Confident	90.8	Very high	120 Å²	120	39.3 Å²	39.3	52%	0.522	21%	0.207	S	C	.	.	H	α-helix	trans	-59.7	-43.4	172.9	-67.1	-172.5	178.7	-174.9	0	110.9	E75 S103 R108 S109	E75-K105 WeakPolarHBondContact OE1-CG 3.37Å; S103-K105 VanDerWaalsContact C-N 3.32Å; S103-K105 PolarHBondContact OG-N 3.46Å; K105-R108 PolarHBondContact O-N 3.34Å; K105-S109 PolarHBondContact O-N 3.07Å; K105-S109 PolarHBondContact O-OG 2.94Å
106	F	89.2	Confident	91.4	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-60.8	-48.3	175.8	175.8	-104.6	0	0	0	111.6	F88 W90 K99 E101 S103 L104 R108 S109 N110	F88-F106 HydrophobicContact CB-CD1 4.1Å; F88-F106 HydrophobicContact CB-CE1 4.29Å; F88-F106 WeakPolarHBondContact O-CE1 3.47Å; W90-F106 HydrophobicContact CB-CE1 4.41Å; W90-F106 HydrophobicContact CB-CZ 4.14Å; W90-F106 AromaticContact CD1-CE1 3.61Å; W90-F106 HydrophobicContact CG-CE1 4.37Å; W90-F106 HydrophobicContact CG-CZ 4.5Å; K99-F106 HydrophobicContact CB-CZ 4.14Å; K99-F106 HydrophobicContact CD-CE2 4.04Å; K99-F106 HydrophobicContact CD-CZ 4.4Å; K99-F106 HydrophobicContact CG-CE2 4.47Å; K99-F106 HydrophobicContact CG-CZ 4.34Å; E101-F106 HydrophobicContact CB-CB 4.31Å; E101-F106 HydrophobicContact CB-CD1 3.67Å; E101-F106 HydrophobicContact CB-CD2 4.19Å; E101-F106 HydrophobicContact CB-CE1 3.91Å; E101-F106 HydrophobicContact CB-CE2 4.44Å; E101-F106 HydrophobicContact CB-CG 3.8Å; E101-F106 HydrophobicContact CB-CZ 4.31Å; E101-F106 HydrophobicContact CG-CB 4.3Å; E101-F106 HydrophobicContact CG-CG 4.26Å; S103-F106 WeakPolarHBondContact O-CB 3.44Å; S103-F106 PolarHBondContact O-N 3.26Å; S103-F106 PolarHBondContact OG-N 3.24Å; L104-F106 VanDerWaalsContact C-N 3.3Å; L104-F106 PolarHBondContact O-N 2.82Å; F106-R108 PolarHBondContact O-N 2.66Å; F106-S109 PolarHBondContact O-N 2.97Å; F106-N110 VanDerWaalsContact CE2-ND2 3.31Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.33Å; F106-N110 WeakPolarHBondContact CZ-ND2 3.49Å; F106-N110 PolarHBondContact O-N 3.31Å; F106-N110 PolarHBondContact O-ND2 3.39Å
107	E	91.9	Very high	91.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.8	-50.6	174.6	179.9	72.1	171.6	0	0	111	R47 Y67 M71 F88 W90 S103 L104 S109 N110 V111	R47-E107 IonicContact CZ-OE1 3.82Å; R47-E107 IonicContact NE-OE1 3.24Å; R47-E107 PolarHBondContact NE-OE1 3.14Å; R47-E107 IonicContact NH2-OE1 2.68Å; R47-E107 PolarHBondContact NH2-OE1 2.87Å; R47-E107 IonicContact NH2-OE2 3.18Å; Y67-E107 PolarHBondContact OH-OE1 3.37Å; M71-E107 HydrophobicContact CE-CB 4.41Å; M71-E107 HydrophobicContact CE-CG 3.99Å; F88-E107 HydrophobicContact CB-CB 4.5Å; F88-E107 WeakPolarHBondContact CB-OE2 3.46Å; F88-E107 HydrophobicContact CD1-CB 3.88Å; F88-E107 HydrophobicContact CD1-CG 3.77Å; F88-E107 WeakPolarHBondContact CD1-OE2 3.29Å; F88-E107 HydrophobicContact CD2-CB 3.92Å; F88-E107 HydrophobicContact CE1-CB 3.93Å; F88-E107 VanDerWaalsContact CE1-CD 3.49Å; F88-E107 HydrophobicContact CE1-CG 3.64Å; F88-E107 HydrophobicContact CE2-CB 4.03Å; F88-E107 HydrophobicContact CG-CB 3.84Å; F88-E107 HydrophobicContact CG-CG 4.26Å; F88-E107 WeakPolarHBondContact CG-OE2 3.28Å; F88-E107 HydrophobicContact CZ-CB 4.02Å; F88-E107 HydrophobicContact CZ-CG 4.12Å; W90-E107 PolarHBondContact NE1-OE2 2.94Å; S103-E107 PolarHBondContact O-N 2.98Å; L104-E107 PolarHBondContact O-N 3.24Å; E107-S109 PolarHBondContact O-N 2.96Å; E107-N110 PolarHBondContact O-N 3.25Å; E107-V111 HydrophobicContact CG-CG2 4.26Å; E107-V111 VanDerWaalsContact O-CG2 3.23Å; E107-V111 WeakPolarHBondContact O-CG2 3.45Å; E107-V111 PolarHBondContact O-N 3.38Å
108	R	91.8	Very high	92	Very high	13 Å²	13	27.4 Å²	27.4	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-41.7	-179.4	-75.4	-177.6	61.9	-146.1	-6.9	113.2	H68 M71 Y72 E75 L104 K105 F106 N110 V111 L112	H68-R108 PolarHBondContact NE2-NE 3.13Å; H68-R108 PolarHBondContact NE2-NH2 3.36Å; M71-R108 HydrophobicContact CB-CG 4.3Å; Y72-R108 VanDerWaalsContact CD2-NH2 3.29Å; E75-R108 WeakPolarHBondContact OE2-CD 3.31Å; E75-R108 IonicContact OE2-CZ 3.55Å; E75-R108 IonicContact OE2-NE 2.69Å; E75-R108 IonicContact OE2-NH1 3.3Å; E75-R108 PolarHBondContact OE2-NH1 2.69Å; L104-R108 WeakPolarHBondContact O-CB 3.31Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 3.02Å; K105-R108 PolarHBondContact O-N 3.34Å; F106-R108 PolarHBondContact O-N 2.66Å; R108-N110 VanDerWaalsContact C-N 3.33Å; R108-N110 PolarHBondContact O-N 3.1Å; R108-V111 PolarHBondContact O-N 2.89Å; R108-L112 WeakPolarHBondContact O-CB 3.47Å; R108-L112 PolarHBondContact O-N 3.17Å
109	S	92.5	Very high	92.1	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-44.3	176.2	-59.4	0	0	0	0	112	K105 F106 E107 F113 L155	K105-S109 PolarHBondContact O-N 3.07Å; K105-S109 PolarHBondContact O-OG 2.94Å; F106-S109 PolarHBondContact O-N 2.97Å; E107-S109 PolarHBondContact O-N 2.96Å; S109-F113 WeakPolarHBondContact O-CB 3.23Å; S109-F113 PolarHBondContact O-N 3.31Å; S109-L155 WeakPolarHBondContact OG-CB 3.47Å
110	N	94.1	Very high	92.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.6	-36.4	179.3	-70.6	-84.5	0	0	0	112	K9 W90 F106 E107 R108 F113 C114	K9-N110 WeakPolarHBondContact CE-OD1 3.18Å; K9-N110 PolarHBondContact NZ-OD1 3.37Å; W90-N110 HydrophobicContact CB-CB 4.46Å; W90-N110 WeakPolarHBondContact CB-OD1 3.48Å; W90-N110 HydrophobicContact CD2-CB 3.34Å; W90-N110 VanDerWaalsContact CE2-CB 3.4Å; W90-N110 HydrophobicContact CE3-CB 3.73Å; W90-N110 HydrophobicContact CG-CB 3.69Å; W90-N110 VanDerWaalsContact CG-CG 3.44Å; W90-N110 HydrophobicContact CH2-CB 4.14Å; W90-N110 HydrophobicContact CZ2-CB 3.83Å; W90-N110 HydrophobicContact CZ3-CB 4.1Å; F106-N110 VanDerWaalsContact CE2-ND2 3.31Å; F106-N110 WeakPolarHBondContact CE2-ND2 3.33Å; F106-N110 WeakPolarHBondContact CZ-ND2 3.49Å; F106-N110 PolarHBondContact O-N 3.31Å; F106-N110 PolarHBondContact O-ND2 3.39Å; E107-N110 PolarHBondContact O-N 3.25Å; R108-N110 VanDerWaalsContact C-N 3.33Å; R108-N110 PolarHBondContact O-N 3.1Å; N110-F113 WeakPolarHBondContact O-CB 3.4Å; N110-F113 PolarHBondContact O-N 3.46Å; N110-C114 PolarHBondContact O-N 3.29Å; N110-C114 VanDerWaalsContact O-N 3.08Å; N110-C114 PolarHBondContact O-SG 3.22Å
111	V	94.9	Very high	92.5	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-66.8	-44.4	175	175.5	0	0	0	0	111.1	I64 Y67 H68 W90 E107 R108 F113 C114 Y115	I64-V111 HydrophobicContact CG2-CG1 3.76Å; I64-V111 WeakPolarHBondContact CG2-O 3.37Å; Y67-V111 HydrophobicContact CD1-CG1 3.87Å; Y67-V111 HydrophobicContact CD1-CG2 3.85Å; Y67-V111 HydrophobicContact CE1-CG1 4.34Å; Y67-V111 HydrophobicContact CE1-CG2 3.48Å; Y67-V111 VanDerWaalsContact CE1-CG2 3.48Å; H68-V111 HydrophobicContact CB-CG1 3.92Å; W90-V111 HydrophobicContact CH2-CG2 4.24Å; W90-V111 HydrophobicContact CZ2-CG2 3.94Å; E107-V111 HydrophobicContact CG-CG2 4.26Å; E107-V111 VanDerWaalsContact O-CG2 3.23Å; E107-V111 WeakPolarHBondContact O-CG2 3.45Å; E107-V111 PolarHBondContact O-N 3.38Å; R108-V111 PolarHBondContact O-N 2.89Å; V111-F113 VanDerWaalsContact C-N 3.32Å; V111-F113 PolarHBondContact O-N 3.36Å; V111-C114 CarbonylContact O-C 3.6Å; V111-C114 WeakPolarHBondContact O-CA 3.11Å; V111-C114 WeakPolarHBondContact O-CB 3.13Å; V111-C114 PolarHBondContact O-N 2.65Å; V111-C114 VanDerWaalsContact O-N 3.09Å; V111-Y115 PolarHBondContact O-N 3.12Å
112	L	95.6	Very high	92.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64	-37.1	175	-85.6	165.3	0	0	0	112	R108 C114 Y115 G116 T147 Y150 I151 L155 L330 F332 L334	R108-L112 WeakPolarHBondContact O-CB 3.47Å; R108-L112 PolarHBondContact O-N 3.17Å; L112-C114 VanDerWaalsContact C-N 3.28Å; L112-C114 PolarHBondContact O-N 2.94Å; L112-Y115 HydrophobicContact CD2-CD1 4.45Å; L112-Y115 WeakPolarHBondContact O-CB 3.46Å; L112-Y115 PolarHBondContact O-N 3.42Å; L112-Y115 VanDerWaalsContact O-N 3.11Å; L112-G116 PolarHBondContact O-N 3.06Å; L112-T147 HydrophobicContact CB-CG2 4.32Å; L112-T147 HydrophobicContact CD2-CG2 4.08Å; L112-T147 WeakPolarHBondContact O-CG2 3.3Å; L112-Y150 HydrophobicContact CD1-CD1 4.07Å; L112-Y150 HydrophobicContact CD1-CE1 3.95Å; L112-I151 HydrophobicContact CB-CD1 3.88Å; L112-I151 HydrophobicContact CB-CG1 3.91Å; L112-L155 HydrophobicContact CD1-CD1 3.3Å; L112-L330 HydrophobicContact CD2-CD2 3.74Å; L112-F332 HydrophobicContact CD2-CE1 4.48Å; L112-L334 HydrophobicContact CD2-CD1 3.8Å
113	F	95.9	Very high	93.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.9	-46.5	171.2	-175.6	-74.5	0	0	0	110.4	I6 K9 I93 S109 N110 V111 Y115 G116 A117 F148 I151 D165 L166 L171 F174	I6-F113 HydrophobicContact CG2-CE1 3.86Å; I6-F113 HydrophobicContact CG2-CZ 3.8Å; K9-F113 HydrophobicContact CD-CB 3.88Å; K9-F113 HydrophobicContact CD-CD1 3.22Å; K9-F113 HydrophobicContact CD-CD2 4.18Å; K9-F113 HydrophobicContact CD-CE1 3.75Å; K9-F113 HydrophobicContact CD-CG 3.48Å; K9-F113 VanDerWaalsContact CD-CG 3.48Å; K9-F113 HydrophobicContact CD-CZ 4.4Å; K9-F113 HydrophobicContact CG-CD1 3.61Å; K9-F113 HydrophobicContact CG-CE1 3.78Å; K9-F113 HydrophobicContact CG-CG 4.37Å; I93-F113 HydrophobicContact CG2-CE1 3.41Å; I93-F113 VanDerWaalsContact CG2-CE1 3.41Å; I93-F113 HydrophobicContact CG2-CZ 3.59Å; S109-F113 WeakPolarHBondContact O-CB 3.23Å; S109-F113 PolarHBondContact O-N 3.31Å; N110-F113 WeakPolarHBondContact O-CB 3.4Å; N110-F113 PolarHBondContact O-N 3.46Å; V111-F113 VanDerWaalsContact C-N 3.32Å; V111-F113 PolarHBondContact O-N 3.36Å; F113-Y115 VanDerWaalsContact C-N 3.27Å; F113-Y115 PolarHBondContact O-N 3.14Å; F113-G116 PolarHBondContact O-N 3.25Å; F113-A117 HydrophobicContact CD1-CB 4.47Å; F113-A117 HydrophobicContact CE1-CB 4.34Å; F113-A117 WeakPolarHBondContact O-CB 3.47Å; F113-A117 PolarHBondContact O-N 2.96Å; F113-F148 HydrophobicContact CD2-CD1 4.26Å; F113-F148 AromaticContact CD2-CE1 3.76Å; F113-F148 HydrophobicContact CD2-CE1 3.76Å; F113-F148 HydrophobicContact CE2-CD1 4.45Å; F113-F148 AromaticContact CE2-CE1 3.87Å; F113-F148 HydrophobicContact CE2-CE1 3.87Å; F113-F148 HydrophobicContact CG-CE1 4.13Å; F113-F148 HydrophobicContact CZ-CE1 4.31Å; F113-I151 HydrophobicContact CB-CD1 4.14Å; F113-D165 HydrophobicContact CE2-CB 4.14Å; F113-D165 HydrophobicContact CZ-CB 4.27Å; F113-L166 HydrophobicContact CB-CD2 4.3Å; F113-L166 HydrophobicContact CD2-CD2 3.79Å; F113-L166 HydrophobicContact CG-CD2 4.41Å; F113-L171 HydrophobicContact CD2-CD2 4.3Å; F113-F174 AromaticContact CE2-CD2 3.78Å; F113-F174 HydrophobicContact CE2-CD2 3.78Å; F113-F174 AromaticContact CE2-CE2 3.65Å; F113-F174 HydrophobicContact CE2-CE2 3.65Å; F113-F174 HydrophobicContact CZ-CD2 4.15Å; F113-F174 AromaticContact CZ-CE2 3.82Å; F113-F174 HydrophobicContact CZ-CE2 3.82Å; F113-F174 HydrophobicContact CZ-CZ 4.41Å
114	C	95.6	Very high	93.4	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.02	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-34.5	176	-64.9	0	0	0	0	112.1	L8 I64 N110 V111 L112 A117 A118	L8-C114 HydrophobicContact CD2-CB 3.93Å; L8-C114 VanDerWaalsContact CD2-O 3.28Å; L8-C114 WeakPolarHBondContact CD2-O 3.31Å; I64-C114 HydrophobicContact CD1-CB 4.25Å; N110-C114 PolarHBondContact O-N 3.29Å; N110-C114 VanDerWaalsContact O-N 3.08Å; N110-C114 PolarHBondContact O-SG 3.22Å; V111-C114 CarbonylContact O-C 3.6Å; V111-C114 WeakPolarHBondContact O-CA 3.11Å; V111-C114 WeakPolarHBondContact O-CB 3.13Å; V111-C114 PolarHBondContact O-N 2.65Å; V111-C114 VanDerWaalsContact O-N 3.09Å; L112-C114 VanDerWaalsContact C-N 3.28Å; L112-C114 PolarHBondContact O-N 2.94Å; C114-A117 PolarHBondContact O-N 3.36Å; C114-A118 VanDerWaalsContact O-CB 3.28Å; C114-A118 WeakPolarHBondContact O-CB 3.43Å; C114-A118 PolarHBondContact O-N 3.23Å
115	Y	96.2	Very high	93.5	Very high	18 Å²	18	21 Å²	21	7%	0.071	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-48	174.2	-177.4	-114.1	0	0	0	111.7	V61 I64 A65 V111 L112 F113 A117 A118 H119 I143 T147 L334	V61-Y115 HydrophobicContact CB-CE2 4.15Å; V61-Y115 WeakPolarHBondContact O-CE2 3.4Å; I64-Y115 HydrophobicContact CB-CD2 4.3Å; I64-Y115 HydrophobicContact CG2-CD2 4.32Å; A65-Y115 HydrophobicContact CB-CD2 4.4Å; A65-Y115 HydrophobicContact CB-CE2 3.93Å; V111-Y115 PolarHBondContact O-N 3.12Å; L112-Y115 HydrophobicContact CD2-CD1 4.45Å; L112-Y115 WeakPolarHBondContact O-CB 3.46Å; L112-Y115 PolarHBondContact O-N 3.42Å; L112-Y115 VanDerWaalsContact O-N 3.11Å; F113-Y115 VanDerWaalsContact C-N 3.27Å; F113-Y115 PolarHBondContact O-N 3.14Å; Y115-A117 PolarHBondContact O-N 2.94Å; Y115-A118 PolarHBondContact O-N 2.88Å; Y115-H119 AromaticContact CE1-CD2 3.79Å; Y115-H119 AromaticContact CE1-NE2 3.81Å; Y115-H119 AromaticContact CE2-CD2 3.65Å; Y115-H119 AromaticContact CE2-NE2 3.34Å; Y115-H119 VanDerWaalsContact CE2-NE2 3.34Å; Y115-H119 WeakPolarHBondContact CE2-NE2 3.24Å; Y115-H119 AromaticContact CZ-CD2 3.52Å; Y115-H119 AromaticContact CZ-NE2 3.12Å; Y115-H119 PolarHBondContact O-CD2 2.79Å; Y115-H119 PolarHBondContact O-N 3.45Å; Y115-H119 PolarHBondContact OH-NE2 3.23Å; Y115-I143 HydrophobicContact CE1-CG2 3.75Å; Y115-T147 HydrophobicContact CD1-CG2 4.07Å; Y115-L334 HydrophobicContact CD1-CD1 4.1Å; Y115-L334 HydrophobicContact CE1-CD1 4.15Å; Y115-L334 HydrophobicContact CE1-CD2 4.19Å; Y115-L334 HydrophobicContact CG-CD1 4.34Å
116	G	96.5	Very high	93.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-43.2	174.7	0	0	0	0	0	112.3	L112 F113 H119 S120 A144	L112-G116 PolarHBondContact O-N 3.06Å; F113-G116 PolarHBondContact O-N 3.25Å; G116-H119 PolarHBondContact O-N 2.83Å; G116-S120 PolarHBondContact O-N 2.89Å; G116-A144 VanDerWaalsContact O-CB 3.3Å; G116-A144 WeakPolarHBondContact O-CB 3.38Å
117	A	95.6	Very high	92.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-41.7	176	0	0	0	0	0	112.6	I6 L8 F113 C114 Y115 H119 S120 Q121	I6-A117 HydrophobicContact CB-CB 4.05Å; I6-A117 HydrophobicContact CG2-CB 3.91Å; L8-A117 HydrophobicContact CD2-CB 3.87Å; F113-A117 HydrophobicContact CD1-CB 4.47Å; F113-A117 HydrophobicContact CE1-CB 4.34Å; F113-A117 WeakPolarHBondContact O-CB 3.47Å; F113-A117 PolarHBondContact O-N 2.96Å; C114-A117 PolarHBondContact O-N 3.36Å; Y115-A117 PolarHBondContact O-N 2.94Å; A117-H119 VanDerWaalsContact C-N 3.34Å; A117-H119 PolarHBondContact O-N 3.48Å; A117-S120 WeakPolarHBondContact O-CB 3.47Å; A117-S120 PolarHBondContact O-N 3.23Å; A117-S120 VanDerWaalsContact O-N 3.1Å; A117-S120 PolarHBondContact O-OG 3.48Å; A117-Q121 WeakPolarHBondContact O-CG 3.28Å; A117-Q121 PolarHBondContact O-N 3.04Å
118	A	95	Very high	91.8	Very high	6 Å²	6	27 Å²	27	5%	0.05	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-39.3	175.3	0	0	0	0	0	112	L8 V61 I64 C114 Y115 S120 Q121 L122	L8-A118 HydrophobicContact CD2-CB 4.29Å; V61-A118 HydrophobicContact CG1-CB 3.82Å; I64-A118 HydrophobicContact CD1-CB 3.59Å; C114-A118 VanDerWaalsContact O-CB 3.28Å; C114-A118 WeakPolarHBondContact O-CB 3.43Å; C114-A118 PolarHBondContact O-N 3.23Å; Y115-A118 PolarHBondContact O-N 2.88Å; A118-S120 VanDerWaalsContact C-N 3.33Å; A118-Q121 PolarHBondContact O-N 3.39Å; A118-L122 WeakPolarHBondContact O-CB 3.18Å; A118-L122 PolarHBondContact O-N 3.39Å
119	H	95.7	Very high	90.8	Very high	10 Å²	10	34 Å²	34	5%	0.046	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-36	171.8	-88.2	-71.5	0	0	0	112.5	Y115 G116 A117 Q121 L122 G123 S140 A144	Y115-H119 AromaticContact CE1-CD2 3.79Å; Y115-H119 AromaticContact CE1-NE2 3.81Å; Y115-H119 AromaticContact CE2-CD2 3.65Å; Y115-H119 AromaticContact CE2-NE2 3.34Å; Y115-H119 VanDerWaalsContact CE2-NE2 3.34Å; Y115-H119 WeakPolarHBondContact CE2-NE2 3.24Å; Y115-H119 AromaticContact CZ-CD2 3.52Å; Y115-H119 AromaticContact CZ-NE2 3.12Å; Y115-H119 PolarHBondContact O-CD2 2.79Å; Y115-H119 PolarHBondContact O-N 3.45Å; Y115-H119 PolarHBondContact OH-NE2 3.23Å; G116-H119 PolarHBondContact O-N 2.83Å; A117-H119 VanDerWaalsContact C-N 3.34Å; A117-H119 PolarHBondContact O-N 3.48Å; H119-Q121 VanDerWaalsContact C-N 3.34Å; H119-Q121 PolarHBondContact O-N 3.46Å; H119-L122 PolarHBondContact O-N 2.89Å; H119-G123 PolarHBondContact O-N 2.99Å; H119-S140 PolarHBondContact ND1-OG 3.18Å; H119-S140 WeakPolarHBondContact O-CB 3.48Å; H119-A144 HydrophobicContact CB-CB 3.95Å
120	S	95.9	Very high	90	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-41.5	174.1	81.5	0	0	0	0	112.4	I6 G116 A117 A118 G123 E124 F141 M178	I6-S120 PolarHBondContact N-OG 3.47Å; G116-S120 PolarHBondContact O-N 2.89Å; A117-S120 WeakPolarHBondContact O-CB 3.47Å; A117-S120 PolarHBondContact O-N 3.23Å; A117-S120 VanDerWaalsContact O-N 3.1Å; A117-S120 PolarHBondContact O-OG 3.48Å; A118-S120 VanDerWaalsContact C-N 3.33Å; S120-G123 PolarHBondContact O-N 3.35Å; S120-E124 PolarHBondContact O-N 3.1Å; S120-F141 WeakPolarHBondContact O-CE1 3.49Å; S120-M178 WeakPolarHBondContact CB-SD 3.47Å
121	Q	93.9	Very high	89.2	Confident	34 Å²	34	40.5 Å²	40.5	16%	0.159	21%	0.209	C	C	.	.	H	α-helix	trans	-70.9	-37.7	177.8	-67.2	174.6	15.1	0	0	111.7	I6 N58 A117 A118 H119 G123 E124 S125	I6-Q121 PolarHBondContact O-NE2 3.05Å; N58-Q121 PolarHBondContact ND2-OE1 2.99Å; N58-Q121 VanDerWaalsContact ND2-OE1 3.11Å; A117-Q121 WeakPolarHBondContact O-CG 3.28Å; A117-Q121 PolarHBondContact O-N 3.04Å; A118-Q121 PolarHBondContact O-N 3.39Å; H119-Q121 VanDerWaalsContact C-N 3.34Å; H119-Q121 PolarHBondContact O-N 3.46Å; Q121-G123 VanDerWaalsContact C-N 3.32Å; Q121-G123 PolarHBondContact O-N 2.94Å; Q121-E124 PolarHBondContact O-N 3.4Å; Q121-S125 PolarHBondContact O-N 2.85Å
122	L	92.9	Very high	88.6	Confident	49 Å²	49	46.4 Å²	46.4	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-43.9	173.2	-176.2	59.2	0	0	0	110.8	V61 A118 H119 S125 C126 S140	V61-L122 HydrophobicContact CG1-CD2 4.3Å; V61-L122 HydrophobicContact CG2-CD2 4.36Å; A118-L122 WeakPolarHBondContact O-CB 3.18Å; A118-L122 PolarHBondContact O-N 3.39Å; H119-L122 PolarHBondContact O-N 2.89Å; L122-S125 PolarHBondContact O-N 2.99Å; L122-S125 PolarHBondContact O-OG 2.97Å; L122-C126 PolarHBondContact O-N 3.43Å; L122-C126 PolarHBondContact O-SG 2.85Å; L122-S140 WeakPolarHBondContact CD2-OG 3.46Å
123	G	93.4	Very high	88.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-40.5	174.9	0	0	0	0	0	113.1	H119 S120 Q121 C126	H119-G123 PolarHBondContact O-N 2.99Å; S120-G123 PolarHBondContact O-N 3.35Å; Q121-G123 VanDerWaalsContact C-N 3.32Å; Q121-G123 PolarHBondContact O-N 2.94Å; G123-C126 WeakPolarHBondContact O-CB 3.17Å; G123-C126 PolarHBondContact O-N 3.01Å
124	E	92.6	Very high	87.8	Confident	89 Å²	89	48 Å²	48	42%	0.416	25%	0.25	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.1	-176.9	-168.7	-164.6	0	0	112.5	F3 S5 S120 Q121 C126	F3-E124 HydrophobicContact CB-CB 4.19Å; F3-E124 HydrophobicContact CB-CG 4.19Å; S5-E124 WeakPolarHBondContact CB-OE2 3.47Å; S5-E124 PolarHBondContact OG-OE2 3.41Å; S120-E124 PolarHBondContact O-N 3.1Å; Q121-E124 PolarHBondContact O-N 3.4Å; E124-C126 PolarHBondContact O-N 2.95Å
125	S	89.2	Confident	87.7	Confident	85 Å²	85	52.1 Å²	52.1	59%	0.594	27%	0.269	S	S	*	.	H	α-helix	trans	-67.5	-15.2	-178	74.5	0	0	0	0	114.2	Q121 L122	Q121-S125 PolarHBondContact O-N 2.85Å; L122-S125 PolarHBondContact O-N 2.99Å; L122-S125 PolarHBondContact O-OG 2.97Å
126	C	86.8	Confident	87.5	Confident	10 Å²	10	55.8 Å²	55.8	7%	0.068	29%	0.287	C	S	.	.	S	Bend	trans	-72.5	137.6	-178.9	-73.3	0	0	0	0	112.1	L122 G123 E124 S133 A137	L122-C126 PolarHBondContact O-N 3.43Å; L122-C126 PolarHBondContact O-SG 2.85Å; G123-C126 WeakPolarHBondContact O-CB 3.17Å; G123-C126 PolarHBondContact O-N 3.01Å; E124-C126 PolarHBondContact O-N 2.95Å; C126-S133 VanDerWaalsContact CA-OG 3.23Å; C126-S133 WeakPolarHBondContact CA-OG 3.36Å; C126-S133 WeakPolarHBondContact CB-O 3.49Å; C126-S133 WeakPolarHBondContact CB-OG 3.42Å; C126-A137 HydrophobicContact CB-CB 3.71Å
127	R	76.1	Confident	87.4	Confident	198 Å²	198	55.8 Å²	55.8	75%	0.747	29%	0.287	S	S	*	.			trans	-84	122.5	-179.4	-64.9	-177.3	-179.5	178.1	0.5	110.5	N129 C130 S133	R127-N129 PolarHBondContact O-N 3.43Å; R127-N129 VanDerWaalsContact O-N 3.11Å; R127-C130 PolarHBondContact O-N 2.99Å; R127-S133 PolarHBondContact N-OG 3.27Å; R127-S133 WeakPolarHBondContact O-CB 3.47Å
128	P	68.4	Low	87.3	Confident	50 Å²	50	58.2 Å²	58.2	33%	0.325	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.1	-176.4	23.5	-32.6	0	0	0	114.2
129	N	71.1	Confident	87.3	Confident	160 Å²	160	64.7 Å²	64.7	86%	0.856	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.1	-176.9	-61.5	-5.3	0	0	0	113.6	R127	R127-N129 PolarHBondContact O-N 3.43Å; R127-N129 VanDerWaalsContact O-N 3.11Å
130	C	75.7	Confident	87.3	Confident	61 Å²	61	64.5 Å²	64.5	41%	0.412	33%	0.326	S	S	.	.	S	Bend	trans	-109.8	123.3	177.4	178.6	0	0	0	0	109.4	R127 N132 S133 L134	R127-C130 PolarHBondContact O-N 2.99Å; C130-N132 PolarHBondContact O-N 3.28Å; C130-S133 WeakPolarHBondContact O-CB 3.45Å; C130-S133 PolarHBondContact O-N 3.31Å; C130-S133 VanDerWaalsContact O-N 3.09Å; C130-L134 PolarHBondContact O-N 3.49Å
131	E	76.5	Confident	87.3	Confident	76 Å²	76	64.5 Å²	64.5	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-41.8	-173.7	-171	166.2	162.1	0	0	113.2	S133 L134 Q135 K192	E131-S133 VanDerWaalsContact C-N 3.26Å; E131-S133 PolarHBondContact O-N 2.91Å; E131-L134 PolarHBondContact O-N 3.13Å; E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 3.18Å; E131-K192 IonicContact OE2-NZ 2.65Å; E131-K192 PolarHBondContact OE2-NZ 2.97Å
132	N	81.4	Confident	87.4	Confident	125 Å²	125	65.6 Å²	65.6	67%	0.668	33%	0.331	S	S	*	.	H	α-helix	trans	-61.9	-38.3	175.2	-68.3	-10.9	0	0	0	111.3	C130 Q135 Q136	C130-N132 PolarHBondContact O-N 3.28Å; N132-Q135 PolarHBondContact O-N 3Å; N132-Q136 PolarHBondContact O-N 3.3Å
133	S	87.5	Confident	87.6	Confident	21 Å²	21	65.1 Å²	65.1	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-70.3	-36	178.5	-165.2	0	0	0	0	112	C126 R127 C130 E131 Q136 A137	C126-S133 VanDerWaalsContact CA-OG 3.23Å; C126-S133 WeakPolarHBondContact CA-OG 3.36Å; C126-S133 WeakPolarHBondContact CB-O 3.49Å; C126-S133 WeakPolarHBondContact CB-OG 3.42Å; R127-S133 PolarHBondContact N-OG 3.27Å; R127-S133 WeakPolarHBondContact O-CB 3.47Å; C130-S133 WeakPolarHBondContact O-CB 3.45Å; C130-S133 PolarHBondContact O-N 3.31Å; C130-S133 VanDerWaalsContact O-N 3.09Å; E131-S133 VanDerWaalsContact C-N 3.26Å; E131-S133 PolarHBondContact O-N 2.91Å; S133-Q136 PolarHBondContact O-N 2.97Å; S133-A137 PolarHBondContact O-N 3.31Å
134	L	88.7	Confident	87.7	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-39.6	174.8	-169.1	68.8	0	0	0	112.1	C130 E131 A137 L138 C185 K189	C130-L134 PolarHBondContact O-N 3.49Å; E131-L134 PolarHBondContact O-N 3.13Å; L134-A137 PolarHBondContact O-N 3.46Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 3.26Å; L134-C185 HydrophobicContact CD1-CB 3.85Å; L134-C185 HydrophobicContact CG-CB 4.17Å; L134-K189 HydrophobicContact CD2-CB 3.95Å
135	Q	91.9	Very high	88	Confident	90 Å²	90	60.9 Å²	60.9	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-38.6	174.7	-68.9	-171.7	10.8	0	0	112	E131 N132 L138 K139 K189	E131-Q135 WeakPolarHBondContact O-CG 3.36Å; E131-Q135 PolarHBondContact O-N 3.18Å; N132-Q135 PolarHBondContact O-N 3Å; Q135-L138 PolarHBondContact O-N 3.12Å; Q135-K139 PolarHBondContact O-N 3.27Å; Q135-K189 VanDerWaalsContact NE2-NZ 3.2Å
136	Q	93	Very high	88.3	Confident	95 Å²	95	57.3 Å²	57.3	44%	0.444	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-45	173.7	-175.8	174.7	0.3	0	0	111.6	N132 S133 L138 K139 S140	N132-Q136 PolarHBondContact O-N 3.3Å; S133-Q136 PolarHBondContact O-N 2.97Å; Q136-L138 VanDerWaalsContact C-N 3.35Å; Q136-L138 PolarHBondContact O-N 3.4Å; Q136-K139 PolarHBondContact O-N 3.45Å; Q136-S140 PolarHBondContact O-N 3.07Å; Q136-S140 PolarHBondContact O-OG 2.72Å
137	A	93.9	Very high	88.8	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-47.6	175.7	0	0	0	0	0	111.8	C126 S133 L134 K139 S140 F141	C126-A137 HydrophobicContact CB-CB 3.71Å; S133-A137 PolarHBondContact O-N 3.31Å; L134-A137 PolarHBondContact O-N 3.46Å; A137-K139 VanDerWaalsContact C-N 3.34Å; A137-K139 PolarHBondContact O-N 2.88Å; A137-S140 PolarHBondContact O-N 3.03Å; A137-F141 HydrophobicContact CB-CD2 4.34Å; A137-F141 HydrophobicContact CB-CE2 4.05Å; A137-F141 WeakPolarHBondContact O-CB 3.48Å; A137-F141 WeakPolarHBondContact O-CD2 3.18Å; A137-F141 WeakPolarHBondContact O-CG 3.25Å; A137-F141 PolarHBondContact O-N 2.88Å
138	L	94.6	Very high	89.8	Confident	52 Å²	52	47.4 Å²	47.4	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-57.2	-46.6	175.8	-179.6	152.3	0	0	0	111.6	L134 Q135 Q136 K142 C185 V186	L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 PolarHBondContact O-N 3.26Å; Q135-L138 PolarHBondContact O-N 3.12Å; Q136-L138 VanDerWaalsContact C-N 3.35Å; Q136-L138 PolarHBondContact O-N 3.4Å; L138-K142 WeakPolarHBondContact O-CB 3.5Å; L138-K142 PolarHBondContact O-N 2.72Å; L138-C185 HydrophobicContact CB-CB 3.9Å; L138-C185 HydrophobicContact CD1-CB 4.3Å; L138-V186 HydrophobicContact CD1-CG2 3.47Å; L138-V186 VanDerWaalsContact CD1-CG2 3.47Å
139	K	94.1	Very high	91	Very high	142 Å²	142	47.6 Å²	47.6	62%	0.617	24%	0.243	S	C	*	.	H	α-helix	trans	-61.3	-48	178.5	-176.2	-179.6	177.4	-176.7	0	110.9	Q135 Q136 A137 K142 I143	Q135-K139 PolarHBondContact O-N 3.27Å; Q136-K139 PolarHBondContact O-N 3.45Å; A137-K139 VanDerWaalsContact C-N 3.34Å; A137-K139 PolarHBondContact O-N 2.88Å; K139-K142 PolarHBondContact O-N 3.46Å; K139-I143 HydrophobicContact CG-CD1 3.98Å; K139-I143 WeakPolarHBondContact O-CG1 3.44Å; K139-I143 PolarHBondContact O-N 2.8Å
140	S	95.1	Very high	92.1	Very high	5 Å²	5	42 Å²	42	4%	0.035	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-46.1	-179	-70.8	0	0	0	0	112.5	H119 L122 Q136 A137 K142 I143 A144	H119-S140 PolarHBondContact ND1-OG 3.18Å; H119-S140 WeakPolarHBondContact O-CB 3.48Å; L122-S140 WeakPolarHBondContact CD2-OG 3.46Å; Q136-S140 PolarHBondContact O-N 3.07Å; Q136-S140 PolarHBondContact O-OG 2.72Å; A137-S140 PolarHBondContact O-N 3.03Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 2.91Å; S140-I143 PolarHBondContact O-N 3.03Å; S140-A144 WeakPolarHBondContact O-CB 3.47Å; S140-A144 PolarHBondContact O-N 3.29Å
141	F	96.9	Very high	93	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-38.5	176	-68.5	-43.5	0	0	0	112.5	F3 S120 A137 A144 S145 M178 Q181 A182	F3-F141 HydrophobicContact CB-CZ 3.87Å; F3-F141 AromaticContact CD1-CE2 3.8Å; F3-F141 HydrophobicContact CD1-CE2 3.8Å; F3-F141 AromaticContact CD1-CZ 3.85Å; F3-F141 HydrophobicContact CD1-CZ 3.85Å; F3-F141 HydrophobicContact CD2-CE2 4.01Å; F3-F141 AromaticContact CD2-CZ 3.94Å; F3-F141 HydrophobicContact CD2-CZ 3.94Å; F3-F141 AromaticContact CE1-CE2 3.88Å; F3-F141 HydrophobicContact CE1-CE2 3.88Å; F3-F141 HydrophobicContact CE1-CZ 4.4Å; F3-F141 HydrophobicContact CE2-CE2 4.08Å; F3-F141 HydrophobicContact CE2-CZ 4.47Å; F3-F141 AromaticContact CG-CE2 3.88Å; F3-F141 HydrophobicContact CG-CE2 3.88Å; F3-F141 AromaticContact CG-CZ 3.6Å; F3-F141 HydrophobicContact CG-CZ 3.6Å; F3-F141 HydrophobicContact CZ-CE2 4.03Å; S120-F141 WeakPolarHBondContact O-CE1 3.49Å; A137-F141 HydrophobicContact CB-CD2 4.34Å; A137-F141 HydrophobicContact CB-CE2 4.05Å; A137-F141 WeakPolarHBondContact O-CB 3.48Å; A137-F141 WeakPolarHBondContact O-CD2 3.18Å; A137-F141 WeakPolarHBondContact O-CG 3.25Å; A137-F141 PolarHBondContact O-N 2.88Å; F141-A144 PolarHBondContact O-N 3.25Å; F141-S145 PolarHBondContact O-N 3.23Å; F141-M178 WeakPolarHBondContact CB-O 3.41Å; F141-M178 HydrophobicContact CD1-SD 3.73Å; F141-M178 HydrophobicContact CE1-SD 4.26Å; F141-Q181 HydrophobicContact CD1-CB 4.15Å; F141-Q181 HydrophobicContact CD2-CB 3.83Å; F141-Q181 HydrophobicContact CE1-CB 4.22Å; F141-Q181 VanDerWaalsContact CE1-NE2 3.29Å; F141-Q181 HydrophobicContact CE2-CB 3.9Å; F141-Q181 HydrophobicContact CG-CB 3.98Å; F141-Q181 HydrophobicContact CZ-CB 4.11Å; F141-Q181 VanDerWaalsContact CZ-NE2 3.31Å; F141-A182 HydrophobicContact CB-CB 3.83Å
142	K	96.2	Very high	93.8	Very high	57 Å²	57	37.4 Å²	37.4	25%	0.248	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-47.2	173.2	-178.7	-177.5	159.8	175	0	111.3	L138 K139 S140 A144 S145 C146 I325 K326 T328	L138-K142 WeakPolarHBondContact O-CB 3.5Å; L138-K142 PolarHBondContact O-N 2.72Å; K139-K142 PolarHBondContact O-N 3.46Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 2.91Å; K142-A144 VanDerWaalsContact C-N 3.35Å; K142-A144 PolarHBondContact O-N 3.12Å; K142-S145 PolarHBondContact O-N 3.05Å; K142-C146 PolarHBondContact O-N 2.89Å; K142-C146 PolarHBondContact O-SG 2.92Å; K142-C146 VanDerWaalsContact O-SG 3.4Å; K142-I325 HydrophobicContact CD-CG2 4.15Å; K142-I325 HydrophobicContact CG-CG2 4.26Å; K142-K326 WeakPolarHBondContact CE-O 3.21Å; K142-K326 PolarHBondContact NZ-O 2.97Å; K142-T328 PolarHBondContact NZ-OG1 3.34Å; K142-T328 VanDerWaalsContact NZ-OG1 3.09Å
143	I	95.9	Very high	94.2	Very high	39 Å²	39	35 Å²	35	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-44.4	178.5	-67.6	166.1	0	0	0	110.7	Y115 K139 S140 S145 C146 T147	Y115-I143 HydrophobicContact CE1-CG2 3.75Å; K139-I143 HydrophobicContact CG-CD1 3.98Å; K139-I143 WeakPolarHBondContact O-CG1 3.44Å; K139-I143 PolarHBondContact O-N 2.8Å; S140-I143 PolarHBondContact O-N 3.03Å; I143-S145 PolarHBondContact O-N 3.47Å; I143-C146 PolarHBondContact O-N 3.06Å; I143-T147 WeakPolarHBondContact O-CB 3.33Å; I143-T147 PolarHBondContact O-N 2.95Å; I143-T147 PolarHBondContact O-OG1 3.32Å
144	A	96.9	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-46.6	177.6	0	0	0	0	0	111.7	G116 H119 S140 F141 K142 T147 F148 M178	G116-A144 VanDerWaalsContact O-CB 3.3Å; G116-A144 WeakPolarHBondContact O-CB 3.38Å; H119-A144 HydrophobicContact CB-CB 3.95Å; S140-A144 WeakPolarHBondContact O-CB 3.47Å; S140-A144 PolarHBondContact O-N 3.29Å; F141-A144 PolarHBondContact O-N 3.25Å; K142-A144 VanDerWaalsContact C-N 3.35Å; K142-A144 PolarHBondContact O-N 3.12Å; A144-T147 WeakPolarHBondContact O-CB 3.43Å; A144-T147 PolarHBondContact O-N 3.26Å; A144-F148 HydrophobicContact CB-CE2 4.29Å; A144-F148 WeakPolarHBondContact O-CD2 3.43Å; A144-F148 PolarHBondContact O-N 3.45Å; A144-F148 VanDerWaalsContact O-N 3.09Å; A144-M178 HydrophobicContact CB-CB 4.11Å; A144-M178 HydrophobicContact CB-CG 3.66Å; A144-M178 HydrophobicContact CB-SD 3.87Å
145	S	97.2	Very high	93.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-51.2	176.4	178.1	0	0	0	0	112.2	F141 K142 I143 T147 F148 D149 S175 K327	F141-S145 PolarHBondContact O-N 3.23Å; K142-S145 PolarHBondContact O-N 3.05Å; I143-S145 PolarHBondContact O-N 3.47Å; S145-T147 PolarHBondContact O-N 3.11Å; S145-F148 PolarHBondContact O-N 3.43Å; S145-D149 PolarHBondContact O-N 3.3Å; S145-D149 VanDerWaalsContact O-N 3.1Å; S145-S175 WeakPolarHBondContact CB-O 3.4Å; S145-S175 PolarHBondContact O-OG 3.32Å; S145-S175 PolarHBondContact OG-O 3.2Å; S145-S175 VanDerWaalsContact OG-O 3.04Å; S145-S175 PolarHBondContact OG-OG 2.97Å; S145-S175 VanDerWaalsContact OG-OG 3.05Å; S145-K327 WeakPolarHBondContact OG-CE 3.38Å; S145-K327 PolarHBondContact OG-NZ 3Å
146	C	96.4	Very high	92.9	Very high	11 Å²	11	35.2 Å²	35.2	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-30.3	178.5	-64.5	0	0	0	0	112.8	K142 I143 Y150 T328	K142-C146 PolarHBondContact O-N 2.89Å; K142-C146 PolarHBondContact O-SG 2.92Å; K142-C146 VanDerWaalsContact O-SG 3.4Å; I143-C146 PolarHBondContact O-N 3.06Å; C146-Y150 WeakPolarHBondContact O-CB 3.43Å; C146-Y150 PolarHBondContact O-N 3.06Å; C146-T328 PolarHBondContact SG-O 3.31Å
147	T	96.8	Very high	91.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-45.3	176.6	-57	0	0	0	0	111.2	L112 Y115 I143 A144 S145 Y150 I151 L330	L112-T147 HydrophobicContact CB-CG2 4.32Å; L112-T147 HydrophobicContact CD2-CG2 4.08Å; L112-T147 WeakPolarHBondContact O-CG2 3.3Å; Y115-T147 HydrophobicContact CD1-CG2 4.07Å; I143-T147 WeakPolarHBondContact O-CB 3.33Å; I143-T147 PolarHBondContact O-N 2.95Å; I143-T147 PolarHBondContact O-OG1 3.32Å; A144-T147 WeakPolarHBondContact O-CB 3.43Å; A144-T147 PolarHBondContact O-N 3.26Å; S145-T147 PolarHBondContact O-N 3.11Å; T147-Y150 PolarHBondContact O-N 3.44Å; T147-I151 HydrophobicContact CG2-CD1 4.21Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.36Å; T147-I151 PolarHBondContact O-N 2.83Å; T147-L330 HydrophobicContact CG2-CD2 4.48Å
148	F	96.6	Very high	90.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-35.8	177.8	-64.3	-58.3	0	0	0	112.7	I6 F113 A144 S145 I151 S152 L171 F174 M178	I6-F148 HydrophobicContact CD1-CD2 4.28Å; I6-F148 HydrophobicContact CD1-CE1 4.48Å; I6-F148 HydrophobicContact CD1-CE2 3.27Å; I6-F148 HydrophobicContact CD1-CZ 3.39Å; F113-F148 HydrophobicContact CD2-CD1 4.26Å; F113-F148 AromaticContact CD2-CE1 3.76Å; F113-F148 HydrophobicContact CD2-CE1 3.76Å; F113-F148 HydrophobicContact CE2-CD1 4.45Å; F113-F148 AromaticContact CE2-CE1 3.87Å; F113-F148 HydrophobicContact CE2-CE1 3.87Å; F113-F148 HydrophobicContact CG-CE1 4.13Å; F113-F148 HydrophobicContact CZ-CE1 4.31Å; A144-F148 HydrophobicContact CB-CE2 4.29Å; A144-F148 WeakPolarHBondContact O-CD2 3.43Å; A144-F148 PolarHBondContact O-N 3.45Å; A144-F148 VanDerWaalsContact O-N 3.09Å; S145-F148 PolarHBondContact O-N 3.43Å; F148-I151 HydrophobicContact CD1-CD1 4.23Å; F148-I151 PolarHBondContact O-N 3.15Å; F148-S152 PolarHBondContact O-N 3.4Å; F148-S152 VanDerWaalsContact O-N 3.11Å; F148-L171 HydrophobicContact CB-CD2 4.46Å; F148-L171 HydrophobicContact CD1-CD2 3.94Å; F148-F174 HydrophobicContact CB-CB 4.45Å; F148-F174 HydrophobicContact CD1-CB 4.13Å; F148-F174 HydrophobicContact CD2-CB 3.66Å; F148-F174 HydrophobicContact CE1-CB 4.32Å; F148-F174 HydrophobicContact CE2-CB 3.89Å; F148-F174 HydrophobicContact CG-CB 3.82Å; F148-F174 HydrophobicContact CZ-CB 4.21Å; F148-M178 HydrophobicContact CD2-CG 4.36Å; F148-M178 HydrophobicContact CE2-CG 4.09Å
149	D	95	Very high	89.2	Confident	53 Å²	53	38 Å²	38	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-49.5	171.9	-69.6	-21.1	0	0	0	110.9	S145 I151 S152 S153 S175 K327	S145-D149 PolarHBondContact O-N 3.3Å; S145-D149 VanDerWaalsContact O-N 3.1Å; D149-I151 VanDerWaalsContact C-N 3.35Å; D149-I151 PolarHBondContact O-N 3.44Å; D149-S152 WeakPolarHBondContact O-CB 3.34Å; D149-S152 PolarHBondContact O-N 3.12Å; D149-S152 VanDerWaalsContact O-N 3.08Å; D149-S153 PolarHBondContact O-N 3.12Å; D149-S153 PolarHBondContact O-OG 3.4Å; D149-S153 VanDerWaalsContact O-OG 3.11Å; D149-S175 WeakPolarHBondContact OD1-CB 3.43Å; D149-S175 PolarHBondContact OD1-OG 3.28Å; D149-S175 PolarHBondContact OD2-OG 3.41Å; D149-K327 IonicContact OD1-NZ 2.72Å; D149-K327 VanDerWaalsContact OD2-CD 3.31Å; D149-K327 WeakPolarHBondContact OD2-CD 3.45Å; D149-K327 WeakPolarHBondContact OD2-CE 3.49Å; D149-K327 IonicContact OD2-NZ 3.17Å; D149-K327 PolarHBondContact OD2-NZ 3.12Å
150	Y	94.7	Very high	88	Confident	44 Å²	44	39.2 Å²	39.2	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-41.5	-179.9	179	-96.4	0	0	0	112.7	L112 C146 T147 S152 S153 D154 L155 L330 F332	L112-Y150 HydrophobicContact CD1-CD1 4.07Å; L112-Y150 HydrophobicContact CD1-CE1 3.95Å; C146-Y150 WeakPolarHBondContact O-CB 3.43Å; C146-Y150 PolarHBondContact O-N 3.06Å; T147-Y150 PolarHBondContact O-N 3.44Å; Y150-S152 VanDerWaalsContact C-N 3.29Å; Y150-S152 PolarHBondContact O-N 2.95Å; Y150-S153 PolarHBondContact O-N 3.24Å; Y150-S153 PolarHBondContact O-OG 3.26Å; Y150-D154 HydrophobicContact CD2-CB 4.19Å; Y150-D154 WeakPolarHBondContact CD2-OD2 3.42Å; Y150-D154 HydrophobicContact CE1-CB 4.47Å; Y150-D154 HydrophobicContact CE2-CB 3.75Å; Y150-D154 PolarHBondContact O-N 2.93Å; Y150-L155 HydrophobicContact CD1-CD1 3.96Å; Y150-L155 HydrophobicContact CE1-CD1 3.58Å; Y150-L155 HydrophobicContact CE1-CG 4.03Å; Y150-L330 HydrophobicContact CD1-CD2 3.91Å; Y150-L330 HydrophobicContact CD2-CB 4.23Å; Y150-L330 HydrophobicContact CG-CB 4.06Å; Y150-L330 HydrophobicContact CG-CD2 4.06Å; Y150-F332 HydrophobicContact CD1-CZ 4.21Å; Y150-F332 AromaticContact CE1-CE2 3.91Å; Y150-F332 HydrophobicContact CE1-CE2 3.91Å; Y150-F332 AromaticContact CE1-CZ 3.53Å; Y150-F332 HydrophobicContact CE1-CZ 3.53Å; Y150-F332 HydrophobicContact CE2-CE2 4.03Å; Y150-F332 HydrophobicContact CE2-CZ 4.37Å; Y150-F332 AromaticContact CZ-CE2 3.49Å; Y150-F332 VanDerWaalsContact CZ-CE2 3.49Å; Y150-F332 AromaticContact CZ-CZ 3.64Å; Y150-F332 VanDerWaalsContact OH-CE2 3.32Å; Y150-F332 WeakPolarHBondContact OH-CE2 3.49Å
151	I	94.7	Very high	87.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-59.2	-46.5	175.1	-64.2	163.1	0	0	0	109.4	L112 F113 T147 F148 D149 S153 L155 M156 L166 L171	L112-I151 HydrophobicContact CB-CD1 3.88Å; L112-I151 HydrophobicContact CB-CG1 3.91Å; F113-I151 HydrophobicContact CB-CD1 4.14Å; T147-I151 HydrophobicContact CG2-CD1 4.21Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.36Å; T147-I151 PolarHBondContact O-N 2.83Å; F148-I151 HydrophobicContact CD1-CD1 4.23Å; F148-I151 PolarHBondContact O-N 3.15Å; D149-I151 VanDerWaalsContact C-N 3.35Å; D149-I151 PolarHBondContact O-N 3.44Å; I151-S153 PolarHBondContact O-N 2.91Å; I151-L155 HydrophobicContact CG1-CD1 4.38Å; I151-L155 PolarHBondContact O-N 3.39Å; I151-M156 HydrophobicContact CG2-CG 3.95Å; I151-M156 HydrophobicContact CG2-SD 4.3Å; I151-M156 VanDerWaalsContact O-CG 3.27Å; I151-M156 WeakPolarHBondContact O-CG 3.45Å; I151-M156 PolarHBondContact O-N 3.1Å; I151-M156 VanDerWaalsContact O-N 3.14Å; I151-L166 HydrophobicContact CG2-CD2 4.13Å; I151-L171 HydrophobicContact CB-CD1 4.33Å; I151-L171 HydrophobicContact CB-CD2 4.33Å; I151-L171 HydrophobicContact CG2-CD1 3.78Å; I151-L171 HydrophobicContact CG2-CD2 4.09Å
152	S	91.6	Very high	86.9	Confident	40 Å²	40	47.5 Å²	47.5	28%	0.28	28%	0.278	S	S	.	.	I	π-helix	trans	-65.6	-37.8	-176.7	-167.9	0	0	0	0	113.6	F148 D149 Y150	F148-S152 PolarHBondContact O-N 3.4Å; F148-S152 VanDerWaalsContact O-N 3.11Å; D149-S152 WeakPolarHBondContact O-CB 3.34Å; D149-S152 PolarHBondContact O-N 3.12Å; D149-S152 VanDerWaalsContact O-N 3.08Å; Y150-S152 VanDerWaalsContact C-N 3.29Å; Y150-S152 PolarHBondContact O-N 2.95Å
153	S	89.6	Confident	86.7	Confident	74 Å²	74	45.1 Å²	45.1	52%	0.517	27%	0.268	S	S	.	.	I	π-helix	trans	-82.5	-51	-177.2	48.9	0	0	0	0	113.2	D149 Y150 I151	D149-S153 PolarHBondContact O-N 3.12Å; D149-S153 PolarHBondContact O-OG 3.4Å; D149-S153 VanDerWaalsContact O-OG 3.11Å; Y150-S153 PolarHBondContact O-N 3.24Å; Y150-S153 PolarHBondContact O-OG 3.26Å; I151-S153 PolarHBondContact O-N 2.91Å
154	D	83.9	Confident	86.5	Confident	89 Å²	89	45.2 Å²	45.2	48%	0.476	27%	0.271	S	S	.	.	I	π-helix	trans	-99.5	-38.4	-162.7	-66.5	-89.3	0	0	0	112.5	Y150 S157	Y150-D154 HydrophobicContact CD2-CB 4.19Å; Y150-D154 WeakPolarHBondContact CD2-OD2 3.42Å; Y150-D154 HydrophobicContact CE1-CB 4.47Å; Y150-D154 HydrophobicContact CE2-CB 3.75Å; Y150-D154 PolarHBondContact O-N 2.93Å; D154-S157 PolarHBondContact O-OG 3.31Å
155	L	81.1	Confident	86.4	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.052	27%	0.271	C	S	.	.	I	π-helix	trans	-95.3	-26.5	-170.6	-78.3	164.3	0	0	0	114.4	S109 L112 Y150 I151	S109-L155 WeakPolarHBondContact OG-CB 3.47Å; L112-L155 HydrophobicContact CD1-CD1 3.3Å; Y150-L155 HydrophobicContact CD1-CD1 3.96Å; Y150-L155 HydrophobicContact CE1-CD1 3.58Å; Y150-L155 HydrophobicContact CE1-CG 4.03Å; I151-L155 HydrophobicContact CG1-CD1 4.38Å; I151-L155 PolarHBondContact O-N 3.39Å
156	M	77.7	Confident	86.2	Confident	28 Å²	28	45.3 Å²	45.3	14%	0.138	27%	0.272	C	S	.	.	S	Bend	trans	-89	-3	-179.6	-64.3	-49.2	-59.8	0	0	113.4	I151 G158 V159 P162 L166 L171	I151-M156 HydrophobicContact CG2-CG 3.95Å; I151-M156 HydrophobicContact CG2-SD 4.3Å; I151-M156 VanDerWaalsContact O-CG 3.27Å; I151-M156 WeakPolarHBondContact O-CG 3.45Å; I151-M156 PolarHBondContact O-N 3.1Å; I151-M156 VanDerWaalsContact O-N 3.14Å; M156-G158 PolarHBondContact O-N 3.24Å; M156-G158 VanDerWaalsContact O-N 3.12Å; M156-V159 HydrophobicContact CE-CB 3.8Å; M156-V159 HydrophobicContact CE-CG1 3.9Å; M156-V159 HydrophobicContact CE-CG2 4Å; M156-V159 PolarHBondContact O-N 3.42Å; M156-V159 HydrophobicContact SD-CG2 4.37Å; M156-P162 HydrophobicContact CE-CB 3.41Å; M156-P162 VanDerWaalsContact CE-CB 3.41Å; M156-P162 HydrophobicContact CE-CG 4.42Å; M156-L166 HydrophobicContact CE-CB 4.02Å; M156-L166 HydrophobicContact SD-CB 4.22Å; M156-L171 HydrophobicContact CG-CD1 4.1Å
157	S	69.7	Low	86	Confident	88 Å²	88	46.5 Å²	46.5	62%	0.615	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	113.1	175.4	63.4	0	0	0	0	110.8	D154	D154-S157 PolarHBondContact O-OG 3.31Å
158	G	62.1	Low	85.7	Confident	79 Å²	79	50.4 Å²	50.4	81%	0.814	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	1.7	177.8	0	0	0	0	0	116.7	M156 K160	M156-G158 PolarHBondContact O-N 3.24Å; M156-G158 VanDerWaalsContact O-N 3.12Å; G158-K160 PolarHBondContact O-N 2.95Å
159	V	70.7	Confident	85.5	Confident	38 Å²	38	52.4 Å²	52.4	23%	0.23	32%	0.318	C	S	.	.			trans	-74.4	113	175.2	-179.3	0	0	0	0	110	M156	M156-V159 HydrophobicContact CE-CB 3.8Å; M156-V159 HydrophobicContact CE-CG1 3.9Å; M156-V159 HydrophobicContact CE-CG2 4Å; M156-V159 PolarHBondContact O-N 3.42Å; M156-V159 HydrophobicContact SD-CG2 4.37Å
160	K	69.3	Low	85.5	Confident	169 Å²	169	49.9 Å²	49.9	74%	0.735	30%	0.304	S	S	*	.	S	Bend	trans	-74	129	169.8	-71.9	-177.6	179.3	176	0	109.6	K99 G158	K99-K160 PolarHBondContact NZ-O 3.37Å; G158-K160 PolarHBondContact O-N 2.95Å
161	D	82.9	Confident	85.5	Confident	133 Å²	133	47.8 Å²	47.8	71%	0.711	30%	0.296	S	S	*	.	S	Bend	trans	55.4	71.3	176.6	-51.9	-45.8	0	0	0	113.9	K99	K99-D161 WeakPolarHBondContact CE-O 3.15Å; K99-D161 PolarHBondContact NZ-O 3.4Å
162	P	86.9	Confident	85.6	Confident	45 Å²	45	50.3 Å²	50.3	29%	0.292	31%	0.312	S	S	.	.			trans	-64	152.7	175.1	30.1	-36.8	0	0	0	111.5	M156 L166 T167	M156-P162 HydrophobicContact CE-CB 3.41Å; M156-P162 VanDerWaalsContact CE-CB 3.41Å; M156-P162 HydrophobicContact CE-CG 4.42Å; P162-L166 HydrophobicContact CB-CB 4.2Å; P162-T167 HydrophobicContact CG-CG2 4.11Å
163	L	91.3	Very high	85.8	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.042	30%	0.298	C	S	.	.			trans	-56.8	148.6	167.8	-78.7	169.6	0	0	0	109.3	W90 D92 K99 D165 L166 T167	W90-L163 HydrophobicContact CB-CD1 4.2Å; D92-L163 HydrophobicContact CB-CD2 4.48Å; K99-L163 HydrophobicContact CB-CD1 4.27Å; K99-L163 HydrophobicContact CB-CD2 3.8Å; K99-L163 HydrophobicContact CB-CG 3.91Å; L163-D165 VanDerWaalsContact CB-OD1 3.25Å; L163-D165 WeakPolarHBondContact CB-OD1 3.47Å; L163-D165 PolarHBondContact O-N 3.4Å; L163-L166 HydrophobicContact CB-CD1 4.45Å; L163-L166 CarbonylContact O-C 3.54Å; L163-L166 WeakPolarHBondContact O-CA 3.29Å; L163-L166 PolarHBondContact O-N 3.46Å; L163-T167 PolarHBondContact O-N 2.97Å
164	P	91.9	Very high	86.2	Confident	41 Å²	41	44.9 Å²	44.9	27%	0.266	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-51.4	-34.5	-175.4	-32.2	38.2	0	0	0	114.9	L166 T167 S170 V225	P164-L166 VanDerWaalsContact C-N 3.34Å; P164-T167 WeakPolarHBondContact O-CG2 3.44Å; P164-T167 PolarHBondContact O-N 2.87Å; P164-T167 PolarHBondContact O-OG1 3.34Å; P164-S170 WeakPolarHBondContact O-CB 3.49Å; P164-S170 PolarHBondContact O-OG 3.32Å; P164-V225 HydrophobicContact CB-CG2 3.42Å; P164-V225 VanDerWaalsContact CB-CG2 3.42Å; P164-V225 WeakPolarHBondContact O-CG2 3.49Å
165	D	94.2	Very high	86.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-78.1	-12.3	177.6	58.3	-6.8	0	0	0	115.3	K9 D92 I93 F113 L163 F174 V225	K9-D165 WeakPolarHBondContact CD-OD2 3.3Å; K9-D165 WeakPolarHBondContact CG-OD2 3.42Å; K9-D165 IonicContact NZ-OD1 2.78Å; K9-D165 PolarHBondContact NZ-OD1 3.03Å; K9-D165 IonicContact NZ-OD2 2.6Å; K9-D165 PolarHBondContact NZ-OD2 2.97Å; D92-D165 WeakPolarHBondContact CA-OD2 3.42Å; I93-D165 HydrophobicContact CG1-CB 4.17Å; I93-D165 PolarHBondContact N-OD2 3.18Å; F113-D165 HydrophobicContact CE2-CB 4.14Å; F113-D165 HydrophobicContact CZ-CB 4.27Å; L163-D165 VanDerWaalsContact CB-OD1 3.25Å; L163-D165 WeakPolarHBondContact CB-OD1 3.47Å; L163-D165 PolarHBondContact O-N 3.4Å; D165-F174 HydrophobicContact CB-CE2 4.36Å; D165-V225 HydrophobicContact CB-CG1 3.62Å
166	L	93.5	Very high	87.5	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-104.2	9.8	174.8	-64.1	176.8	0	0	0	112.6	F113 I151 M156 P162 L163 P164 L171	F113-L166 HydrophobicContact CB-CD2 4.3Å; F113-L166 HydrophobicContact CD2-CD2 3.79Å; F113-L166 HydrophobicContact CG-CD2 4.41Å; I151-L166 HydrophobicContact CG2-CD2 4.13Å; M156-L166 HydrophobicContact CE-CB 4.02Å; M156-L166 HydrophobicContact SD-CB 4.22Å; P162-L166 HydrophobicContact CB-CB 4.2Å; L163-L166 HydrophobicContact CB-CD1 4.45Å; L163-L166 CarbonylContact O-C 3.54Å; L163-L166 WeakPolarHBondContact O-CA 3.29Å; L163-L166 PolarHBondContact O-N 3.46Å; P164-L166 VanDerWaalsContact C-N 3.34Å; L166-L171 HydrophobicContact CD2-CD2 4.33Å
167	T	91.7	Very high	88.5	Confident	36 Å²	36	40.2 Å²	40.2	22%	0.221	25%	0.25	C	C	.	.	S	Bend	trans	-70.4	151.9	171.9	60.1	0	0	0	0	110.7	P162 L163 P164 S169 S170 L171	P162-T167 HydrophobicContact CG-CG2 4.11Å; L163-T167 PolarHBondContact O-N 2.97Å; P164-T167 WeakPolarHBondContact O-CG2 3.44Å; P164-T167 PolarHBondContact O-N 2.87Å; P164-T167 PolarHBondContact O-OG1 3.34Å; T167-S169 VanDerWaalsContact C-N 3.28Å; T167-S169 PolarHBondContact O-N 3.03Å; T167-S170 PolarHBondContact O-N 2.9Å; T167-S170 VanDerWaalsContact O-N 3.09Å; T167-S170 WeakPolarHBondContact OG1-CB 2.91Å; T167-S170 PolarHBondContact OG1-N 2.93Å; T167-S170 PolarHBondContact OG1-OG 3.2Å; T167-S170 VanDerWaalsContact OG1-OG 3.05Å; T167-L171 PolarHBondContact O-N 3.38Å
168	P	91	Very high	89.8	Confident	82 Å²	82	36 Å²	36	53%	0.532	22%	0.22	S	C	.	.	H	α-helix	trans	-54.3	-41.1	178.6	-28.2	35.6	0	0	0	113.5	L171 T172	P168-L171 PolarHBondContact O-N 3.45Å; P168-T172 VanDerWaalsContact O-CB 3.28Å; P168-T172 WeakPolarHBondContact O-CB 3.44Å; P168-T172 PolarHBondContact O-N 2.93Å; P168-T172 PolarHBondContact O-OG1 3.45Å
169	S	92.3	Very high	91.5	Very high	41 Å²	41	33.2 Å²	33.2	29%	0.287	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-46.3	175.5	-67.5	0	0	0	0	112.5	T167 T172 L173 E217	T167-S169 VanDerWaalsContact C-N 3.28Å; T167-S169 PolarHBondContact O-N 3.03Å; S169-T172 PolarHBondContact O-N 3.37Å; S169-L173 WeakPolarHBondContact O-CB 3.46Å; S169-L173 PolarHBondContact O-N 3.11Å; S169-E217 VanDerWaalsContact CB-OE2 3.29Å; S169-E217 WeakPolarHBondContact CB-OE2 3.37Å; S169-E217 PolarHBondContact OG-OE2 3.47Å
170	S	94.8	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-45.3	177.7	-68.1	0	0	0	0	112	P164 T167 L173 F174	P164-S170 WeakPolarHBondContact O-CB 3.49Å; P164-S170 PolarHBondContact O-OG 3.32Å; T167-S170 PolarHBondContact O-N 2.9Å; T167-S170 VanDerWaalsContact O-N 3.09Å; T167-S170 WeakPolarHBondContact OG1-CB 2.91Å; T167-S170 PolarHBondContact OG1-N 2.93Å; T167-S170 PolarHBondContact OG1-OG 3.2Å; T167-S170 VanDerWaalsContact OG1-OG 3.05Å; S170-L173 WeakPolarHBondContact O-CB 3.47Å; S170-L173 PolarHBondContact O-N 2.89Å; S170-F174 WeakPolarHBondContact O-CD2 3.46Å; S170-F174 VanDerWaalsContact O-CG 3.26Å; S170-F174 WeakPolarHBondContact O-CG 3.26Å; S170-F174 PolarHBondContact O-N 3.32Å
171	L	95.4	Very high	94.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-39.2	178.7	-69	171.6	0	0	0	112.1	F113 F148 I151 M156 L166 T167 P168 F174 S175	F113-L171 HydrophobicContact CD2-CD2 4.3Å; F148-L171 HydrophobicContact CB-CD2 4.46Å; F148-L171 HydrophobicContact CD1-CD2 3.94Å; I151-L171 HydrophobicContact CB-CD1 4.33Å; I151-L171 HydrophobicContact CB-CD2 4.33Å; I151-L171 HydrophobicContact CG2-CD1 3.78Å; I151-L171 HydrophobicContact CG2-CD2 4.09Å; M156-L171 HydrophobicContact CG-CD1 4.1Å; L166-L171 HydrophobicContact CD2-CD2 4.33Å; T167-L171 PolarHBondContact O-N 3.38Å; P168-L171 PolarHBondContact O-N 3.45Å; L171-F174 PolarHBondContact O-N 2.9Å; L171-S175 WeakPolarHBondContact O-CB 3.49Å; L171-S175 PolarHBondContact O-N 2.96Å
172	T	95	Very high	94.7	Very high	52 Å²	52	17 Å²	17	32%	0.319	11%	0.106	S	C	.	.	H	α-helix	trans	-61.9	-44.6	174.1	-58.9	0	0	0	0	111	P168 S169 S175 N176	P168-T172 VanDerWaalsContact O-CB 3.28Å; P168-T172 WeakPolarHBondContact O-CB 3.44Å; P168-T172 PolarHBondContact O-N 2.93Å; P168-T172 PolarHBondContact O-OG1 3.45Å; S169-T172 PolarHBondContact O-N 3.37Å; T172-S175 PolarHBondContact O-N 3.12Å; T172-N176 WeakPolarHBondContact O-CB 3.39Å; T172-N176 PolarHBondContact O-N 3.44Å
173	L	96.4	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58	-50.3	174.1	172.8	57.9	0	0	0	111.7	S169 S170 S175 N176 L177 C214 E217 C218 A222 V226	S169-L173 WeakPolarHBondContact O-CB 3.46Å; S169-L173 PolarHBondContact O-N 3.11Å; S170-L173 WeakPolarHBondContact O-CB 3.47Å; S170-L173 PolarHBondContact O-N 2.89Å; L173-S175 VanDerWaalsContact C-N 3.35Å; L173-S175 PolarHBondContact O-N 2.85Å; L173-N176 PolarHBondContact O-N 2.73Å; L173-L177 WeakPolarHBondContact O-CB 3.25Å; L173-L177 PolarHBondContact O-N 2.9Å; L173-C214 HydrophobicContact CD1-CB 3.68Å; L173-C214 VanDerWaalsContact CD1-O 3.22Å; L173-C214 WeakPolarHBondContact CD1-O 3.35Å; L173-E217 HydrophobicContact CB-CB 3.94Å; L173-E217 HydrophobicContact CD1-CB 4.27Å; L173-E217 HydrophobicContact CG-CB 4.49Å; L173-C218 HydrophobicContact CD2-CB 4.18Å; L173-A222 HydrophobicContact CB-CB 4.49Å; L173-A222 HydrophobicContact CD2-CB 3.57Å; L173-V226 HydrophobicContact CD2-CG1 3.56Å
174	F	97.3	Very high	95.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.7	-40.9	-179.6	-62.1	-40.8	0	0	0	112	I6 I93 F113 F148 D165 S170 L171 M178 V225 V226 W230	I6-F174 HydrophobicContact CD1-CB 3.75Å; I6-F174 HydrophobicContact CD1-CD1 3.79Å; I6-F174 HydrophobicContact CD1-CG 3.9Å; I6-F174 HydrophobicContact CG1-CD1 3.96Å; I6-F174 HydrophobicContact CG1-CE1 4.47Å; I93-F174 HydrophobicContact CD1-CE1 4.21Å; I93-F174 HydrophobicContact CD1-CZ 3.67Å; F113-F174 AromaticContact CE2-CD2 3.78Å; F113-F174 HydrophobicContact CE2-CD2 3.78Å; F113-F174 AromaticContact CE2-CE2 3.65Å; F113-F174 HydrophobicContact CE2-CE2 3.65Å; F113-F174 HydrophobicContact CZ-CD2 4.15Å; F113-F174 AromaticContact CZ-CE2 3.82Å; F113-F174 HydrophobicContact CZ-CE2 3.82Å; F113-F174 HydrophobicContact CZ-CZ 4.41Å; F148-F174 HydrophobicContact CB-CB 4.45Å; F148-F174 HydrophobicContact CD1-CB 4.13Å; F148-F174 HydrophobicContact CD2-CB 3.66Å; F148-F174 HydrophobicContact CE1-CB 4.32Å; F148-F174 HydrophobicContact CE2-CB 3.89Å; F148-F174 HydrophobicContact CG-CB 3.82Å; F148-F174 HydrophobicContact CZ-CB 4.21Å; D165-F174 HydrophobicContact CB-CE2 4.36Å; S170-F174 WeakPolarHBondContact O-CD2 3.46Å; S170-F174 VanDerWaalsContact O-CG 3.26Å; S170-F174 WeakPolarHBondContact O-CG 3.26Å; S170-F174 PolarHBondContact O-N 3.32Å; L171-F174 PolarHBondContact O-N 2.9Å; F174-M178 WeakPolarHBondContact O-CB 2.94Å; F174-M178 WeakPolarHBondContact O-CG 3.44Å; F174-M178 PolarHBondContact O-N 3.46Å; F174-M178 VanDerWaalsContact O-N 3.08Å; F174-V225 HydrophobicContact CZ-CG1 4.12Å; F174-V226 HydrophobicContact CE1-CG1 4.08Å; F174-V226 HydrophobicContact CZ-CG1 4.44Å; F174-W230 HydrophobicContact CD1-CH2 4.27Å; F174-W230 HydrophobicContact CD1-CZ3 4.17Å; F174-W230 HydrophobicContact CE1-CH2 4.02Å; F174-W230 AromaticContact CE1-CZ3 3.91Å; F174-W230 HydrophobicContact CE1-CZ3 3.91Å
175	S	97	Very high	95.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-50.8	175.8	-179.3	0	0	0	0	112	S145 D149 L171 T172 L173 L177 M178 L179 K327	S145-S175 WeakPolarHBondContact CB-O 3.4Å; S145-S175 PolarHBondContact O-OG 3.32Å; S145-S175 PolarHBondContact OG-O 3.2Å; S145-S175 VanDerWaalsContact OG-O 3.04Å; S145-S175 PolarHBondContact OG-OG 2.97Å; S145-S175 VanDerWaalsContact OG-OG 3.05Å; D149-S175 WeakPolarHBondContact OD1-CB 3.43Å; D149-S175 PolarHBondContact OD1-OG 3.28Å; D149-S175 PolarHBondContact OD2-OG 3.41Å; L171-S175 WeakPolarHBondContact O-CB 3.49Å; L171-S175 PolarHBondContact O-N 2.96Å; T172-S175 PolarHBondContact O-N 3.12Å; L173-S175 VanDerWaalsContact C-N 3.35Å; L173-S175 PolarHBondContact O-N 2.85Å; S175-L177 VanDerWaalsContact C-N 3.35Å; S175-L177 PolarHBondContact O-N 3.43Å; S175-M178 PolarHBondContact O-N 3.04Å; S175-L179 WeakPolarHBondContact O-CB 3.42Å; S175-L179 PolarHBondContact O-N 3.33Å; S175-K327 PolarHBondContact OG-NZ 3.03Å; S175-K327 VanDerWaalsContact OG-NZ 3.1Å
176	N	97	Very high	95.5	Very high	30 Å²	30	13.8 Å²	13.8	16%	0.16	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-36.8	-178.6	-74.3	-10.8	0	0	0	112	T172 L173 L179 A180 C214	T172-N176 WeakPolarHBondContact O-CB 3.39Å; T172-N176 PolarHBondContact O-N 3.44Å; L173-N176 PolarHBondContact O-N 2.73Å; N176-L179 PolarHBondContact O-N 2.71Å; N176-A180 WeakPolarHBondContact O-CB 3.45Å; N176-A180 PolarHBondContact O-N 2.94Å; N176-C214 VanDerWaalsContact C-SG 3.59Å
177	L	97.6	Very high	95.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-46.9	176.2	176.3	57.5	0	0	0	111.3	L4 L173 S175 A180 Q181 Y211 C214 W230 L234	L4-L177 HydrophobicContact CB-CD2 4.29Å; L4-L177 HydrophobicContact CD1-CD1 4.24Å; L4-L177 HydrophobicContact CD1-CD2 4.38Å; L173-L177 WeakPolarHBondContact O-CB 3.25Å; L173-L177 PolarHBondContact O-N 2.9Å; S175-L177 VanDerWaalsContact C-N 3.35Å; S175-L177 PolarHBondContact O-N 3.43Å; L177-A180 PolarHBondContact O-N 2.77Å; L177-Q181 HydrophobicContact CD1-CG 4.49Å; L177-Q181 VanDerWaalsContact CD1-OE1 3.32Å; L177-Q181 WeakPolarHBondContact O-CG 3.4Å; L177-Q181 PolarHBondContact O-N 3.28Å; L177-Y211 HydrophobicContact CD1-CE1 3.94Å; L177-C214 VanDerWaalsContact CA-SG 3.58Å; L177-C214 PolarHBondContact N-SG 3.28Å; L177-W230 HydrophobicContact CD2-CE3 4.05Å; L177-W230 HydrophobicContact CD2-CH2 3.64Å; L177-W230 HydrophobicContact CD2-CZ2 4.4Å; L177-W230 HydrophobicContact CD2-CZ3 3.43Å; L177-W230 VanDerWaalsContact CD2-CZ3 3.43Å; L177-L234 HydrophobicContact CD1-CD2 3.81Å
178	M	97.6	Very high	95.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.9	-41.3	177.1	-66.5	-61.5	98.7	0	0	111.2	I6 S120 F141 A144 F148 F174 S175 A180 Q181 A182	I6-M178 HydrophobicContact CD1-CE 4.14Å; I6-M178 HydrophobicContact CD1-CG 4.17Å; I6-M178 HydrophobicContact CD1-SD 4.27Å; I6-M178 HydrophobicContact CG1-CE 4.38Å; S120-M178 WeakPolarHBondContact CB-SD 3.47Å; F141-M178 WeakPolarHBondContact CB-O 3.41Å; F141-M178 HydrophobicContact CD1-SD 3.73Å; F141-M178 HydrophobicContact CE1-SD 4.26Å; A144-M178 HydrophobicContact CB-CB 4.11Å; A144-M178 HydrophobicContact CB-CG 3.66Å; A144-M178 HydrophobicContact CB-SD 3.87Å; F148-M178 HydrophobicContact CD2-CG 4.36Å; F148-M178 HydrophobicContact CE2-CG 4.09Å; F174-M178 WeakPolarHBondContact O-CB 2.94Å; F174-M178 WeakPolarHBondContact O-CG 3.44Å; F174-M178 PolarHBondContact O-N 3.46Å; F174-M178 VanDerWaalsContact O-N 3.08Å; S175-M178 PolarHBondContact O-N 3.04Å; M178-A180 PolarHBondContact O-N 3.24Å; M178-Q181 PolarHBondContact O-N 3.39Å; M178-A182 PolarHBondContact O-N 3.41Å
179	L	97.7	Very high	95.7	Very high	19 Å²	19	12.3 Å²	12.3	10%	0.099	7%	0.07	C	C	.	.	H	α-helix	trans	-61.4	-43.7	175	-174.7	63.4	0	0	0	111.9	S175 N176 Q181 A182 Y183 L210 I325	S175-L179 WeakPolarHBondContact O-CB 3.42Å; S175-L179 PolarHBondContact O-N 3.33Å; N176-L179 PolarHBondContact O-N 2.71Å; L179-Q181 PolarHBondContact O-N 2.95Å; L179-A182 WeakPolarHBondContact O-CB 3.48Å; L179-A182 PolarHBondContact O-N 3.28Å; L179-Y183 HydrophobicContact CD1-CD2 4.22Å; L179-Y183 HydrophobicContact CD1-CE2 3.95Å; L179-Y183 HydrophobicContact CD2-CE2 4.49Å; L179-Y183 HydrophobicContact CG-CD2 4.08Å; L179-Y183 HydrophobicContact CG-CE2 4.01Å; L179-Y183 WeakPolarHBondContact O-CD2 3.4Å; L179-Y183 PolarHBondContact O-N 3.12Å; L179-L210 HydrophobicContact CD2-CD1 4.14Å; L179-L210 HydrophobicContact CD2-CD2 3.9Å; L179-L210 HydrophobicContact CG-CD1 4Å; L179-I325 HydrophobicContact CD1-CB 4.28Å; L179-I325 HydrophobicContact CD1-CG2 4.11Å
180	A	97.3	Very high	95.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.4	-47.4	176.3	0	0	0	0	0	110.8	N176 L177 M178 A182 Y183 E184 L207 L210 Y211	N176-A180 WeakPolarHBondContact O-CB 3.45Å; N176-A180 PolarHBondContact O-N 2.94Å; L177-A180 PolarHBondContact O-N 2.77Å; M178-A180 PolarHBondContact O-N 3.24Å; A180-A182 VanDerWaalsContact C-N 3.28Å; A180-A182 PolarHBondContact O-N 3.38Å; A180-Y183 CarbonylContact O-C 3.4Å; A180-Y183 WeakPolarHBondContact O-CA 3.44Å; A180-Y183 WeakPolarHBondContact O-CB 3.2Å; A180-Y183 PolarHBondContact O-N 3.37Å; A180-E184 PolarHBondContact O-N 3.16Å; A180-L207 HydrophobicContact CB-CD2 4.45Å; A180-L207 WeakPolarHBondContact O-CD2 3.4Å; A180-L210 HydrophobicContact CB-CB 3.83Å; A180-L210 HydrophobicContact CB-CD1 4.26Å; A180-Y211 HydrophobicContact CB-CD1 4.19Å; A180-Y211 HydrophobicContact CB-CD2 4.3Å; A180-Y211 HydrophobicContact CB-CE1 3.71Å; A180-Y211 HydrophobicContact CB-CE2 3.85Å; A180-Y211 HydrophobicContact CB-CG 4.43Å; A180-Y211 VanDerWaalsContact CB-CZ 3.48Å
181	Q	96.7	Very high	95.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.4	-31	177.6	-70.2	177.5	-131.2	0	0	113.2	F3 L4 F141 L177 M178 L179 E184 C185 Y211	F3-Q181 VanDerWaalsContact CB-NE2 3.28Å; F3-Q181 HydrophobicContact CD1-CB 4Å; F3-Q181 HydrophobicContact CD1-CG 3.93Å; F3-Q181 HydrophobicContact CE1-CB 4.28Å; L4-Q181 VanDerWaalsContact N-NE2 3.2Å; L4-Q181 PolarHBondContact O-NE2 3.32Å; L4-Q181 PolarHBondContact O-OE1 3.32Å; L4-Q181 VanDerWaalsContact O-OE1 3.12Å; F141-Q181 HydrophobicContact CD1-CB 4.15Å; F141-Q181 HydrophobicContact CD2-CB 3.83Å; F141-Q181 HydrophobicContact CE1-CB 4.22Å; F141-Q181 VanDerWaalsContact CE1-NE2 3.29Å; F141-Q181 HydrophobicContact CE2-CB 3.9Å; F141-Q181 HydrophobicContact CG-CB 3.98Å; F141-Q181 HydrophobicContact CZ-CB 4.11Å; F141-Q181 VanDerWaalsContact CZ-NE2 3.31Å; L177-Q181 HydrophobicContact CD1-CG 4.49Å; L177-Q181 VanDerWaalsContact CD1-OE1 3.32Å; L177-Q181 WeakPolarHBondContact O-CG 3.4Å; L177-Q181 PolarHBondContact O-N 3.28Å; M178-Q181 PolarHBondContact O-N 3.39Å; L179-Q181 PolarHBondContact O-N 2.95Å; Q181-E184 WeakPolarHBondContact O-CB 3.42Å; Q181-E184 PolarHBondContact O-N 3.5Å; Q181-C185 PolarHBondContact O-N 3.2Å; Q181-C185 PolarHBondContact O-SG 3.07Å; Q181-Y211 WeakPolarHBondContact CG-OH 3.28Å
182	A	96.3	Very high	95.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-41.6	170.2	0	0	0	0	0	111.5	F141 M178 L179 A180 E184 C185 V186 I325	F141-A182 HydrophobicContact CB-CB 3.83Å; M178-A182 PolarHBondContact O-N 3.41Å; L179-A182 WeakPolarHBondContact O-CB 3.48Å; L179-A182 PolarHBondContact O-N 3.28Å; A180-A182 VanDerWaalsContact C-N 3.28Å; A180-A182 PolarHBondContact O-N 3.38Å; A182-E184 VanDerWaalsContact C-N 3.32Å; A182-E184 PolarHBondContact O-N 3.13Å; A182-C185 VanDerWaalsContact O-CB 3.31Å; A182-C185 WeakPolarHBondContact O-CB 3.39Å; A182-C185 PolarHBondContact O-N 3.48Å; A182-C185 VanDerWaalsContact O-N 3.15Å; A182-V186 PolarHBondContact O-N 2.97Å; A182-I325 HydrophobicContact CB-CD1 3.57Å
183	Y	96.8	Very high	95.4	Very high	4 Å²	4	20 Å²	20	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-31.5	173.1	-87.2	-76.8	0	0	0	112.9	L179 A180 C185 V186 L187 I203 T206 L210 V322 D323 V324 I325	L179-Y183 HydrophobicContact CD1-CD2 4.22Å; L179-Y183 HydrophobicContact CD1-CE2 3.95Å; L179-Y183 HydrophobicContact CD2-CE2 4.49Å; L179-Y183 HydrophobicContact CG-CD2 4.08Å; L179-Y183 HydrophobicContact CG-CE2 4.01Å; L179-Y183 WeakPolarHBondContact O-CD2 3.4Å; L179-Y183 PolarHBondContact O-N 3.12Å; A180-Y183 CarbonylContact O-C 3.4Å; A180-Y183 WeakPolarHBondContact O-CA 3.44Å; A180-Y183 WeakPolarHBondContact O-CB 3.2Å; A180-Y183 PolarHBondContact O-N 3.37Å; Y183-C185 PolarHBondContact O-N 3.31Å; Y183-V186 PolarHBondContact O-N 3.43Å; Y183-L187 WeakPolarHBondContact O-CB 3.44Å; Y183-L187 PolarHBondContact O-N 2.75Å; Y183-I203 HydrophobicContact CD1-CG2 4.21Å; Y183-T206 HydrophobicContact CD1-CG2 4.32Å; Y183-T206 HydrophobicContact CD2-CG2 4.17Å; Y183-T206 HydrophobicContact CE1-CG2 4.04Å; Y183-T206 HydrophobicContact CE2-CG2 3.9Å; Y183-T206 HydrophobicContact CG-CG2 4.39Å; Y183-L210 HydrophobicContact CD2-CD1 3.61Å; Y183-L210 HydrophobicContact CE2-CD1 4.07Å; Y183-L210 HydrophobicContact CG-CD1 4.47Å; Y183-V322 PolarHBondContact OH-O 2.65Å; Y183-D323 WeakPolarHBondContact OH-CA 3.45Å; Y183-D323 PolarHBondContact OH-OD1 3.41Å; Y183-V324 HydrophobicContact CE1-CB 4.12Å; Y183-V324 HydrophobicContact CE1-CG2 4.45Å; Y183-V324 PolarHBondContact OH-N 3.31Å; Y183-I325 HydrophobicContact CD1-CD1 4.11Å; Y183-I325 HydrophobicContact CD1-CG1 4.3Å; Y183-I325 HydrophobicContact CD2-CD1 3.73Å; Y183-I325 HydrophobicContact CD2-CG1 4.31Å; Y183-I325 HydrophobicContact CE1-CD1 4.28Å; Y183-I325 HydrophobicContact CE1-CG1 4Å; Y183-I325 HydrophobicContact CE2-CB 4.07Å; Y183-I325 HydrophobicContact CE2-CD1 3.91Å; Y183-I325 HydrophobicContact CE2-CG1 4Å; Y183-I325 HydrophobicContact CG-CD1 3.82Å; Y183-I325 HydrophobicContact CG-CG1 4.44Å; Y183-I325 PolarHBondContact OH-N 3.49Å; Y183-I325 VanDerWaalsContact OH-N 3.13Å
184	E	95.2	Very high	95.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-38.1	172.6	-63.4	-164.8	171.5	0	0	110.5	M1 F3 A180 Q181 A182 S188 L207 Y211 K237 Y241	M1-E184 HydrophobicContact SD-CB 4.26Å; F3-E184 HydrophobicContact CE1-CB 4.01Å; F3-E184 VanDerWaalsContact CE1-OE2 3.25Å; F3-E184 WeakPolarHBondContact CE1-OE2 3.18Å; A180-E184 PolarHBondContact O-N 3.16Å; Q181-E184 WeakPolarHBondContact O-CB 3.42Å; Q181-E184 PolarHBondContact O-N 3.5Å; A182-E184 VanDerWaalsContact C-N 3.32Å; A182-E184 PolarHBondContact O-N 3.13Å; E184-S188 WeakPolarHBondContact O-CB 3.26Å; E184-S188 PolarHBondContact O-N 3.08Å; E184-S188 PolarHBondContact O-OG 3.46Å; E184-L207 HydrophobicContact CG-CD2 3.75Å; E184-Y211 HydrophobicContact CG-CE2 4.25Å; E184-Y211 WeakPolarHBondContact OE1-CE2 3.49Å; E184-Y211 VanDerWaalsContact OE1-CZ 3.32Å; E184-Y211 PolarHBondContact OE1-OH 3.25Å; E184-K237 VanDerWaalsContact CD-NZ 3.28Å; E184-K237 WeakPolarHBondContact OE1-CD 3.34Å; E184-K237 IonicContact OE1-NZ 3.61Å; E184-K237 PolarHBondContact OE1-NZ 2.77Å; E184-K237 IonicContact OE2-NZ 2.72Å; E184-K237 PolarHBondContact OE2-NZ 3.15Å; E184-Y241 HydrophobicContact CG-CE2 3.92Å; E184-Y241 WeakPolarHBondContact CG-OH 3.45Å; E184-Y241 WeakPolarHBondContact OE1-CE2 3.38Å; E184-Y241 PolarHBondContact OE1-OH 3.16Å; E184-Y241 PolarHBondContact OE2-OH 3.22Å
185	C	94.4	Very high	95.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-42.9	174.8	-59.4	0	0	0	0	111.6	L134 L138 Q181 A182 Y183 S188 K189	L134-C185 HydrophobicContact CD1-CB 3.85Å; L134-C185 HydrophobicContact CG-CB 4.17Å; L138-C185 HydrophobicContact CB-CB 3.9Å; L138-C185 HydrophobicContact CD1-CB 4.3Å; Q181-C185 PolarHBondContact O-N 3.2Å; Q181-C185 PolarHBondContact O-SG 3.07Å; A182-C185 VanDerWaalsContact O-CB 3.31Å; A182-C185 WeakPolarHBondContact O-CB 3.39Å; A182-C185 PolarHBondContact O-N 3.48Å; A182-C185 VanDerWaalsContact O-N 3.15Å; Y183-C185 PolarHBondContact O-N 3.31Å; C185-S188 PolarHBondContact O-N 2.96Å; C185-K189 PolarHBondContact O-N 2.96Å
186	V	95	Very high	95.1	Very high	22 Å²	22	41.1 Å²	41.1	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-46.8	175.5	175.2	0	0	0	0	111	L138 A182 Y183 K189 A190 I203 V324 I325	L138-V186 HydrophobicContact CD1-CG2 3.47Å; L138-V186 VanDerWaalsContact CD1-CG2 3.47Å; A182-V186 PolarHBondContact O-N 2.97Å; Y183-V186 PolarHBondContact O-N 3.43Å; V186-K189 PolarHBondContact O-N 2.75Å; V186-A190 WeakPolarHBondContact O-CB 3.31Å; V186-A190 PolarHBondContact O-N 2.95Å; V186-I203 HydrophobicContact CG1-CD1 4.13Å; V186-I203 HydrophobicContact CG1-CG2 4.45Å; V186-V324 HydrophobicContact CG1-CG1 4.43Å; V186-I325 HydrophobicContact CG2-CD1 3.76Å; V186-I325 HydrophobicContact CG2-CG1 3.93Å
187	L	95	Very high	95.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-46.7	178.9	-177.5	61.1	0	0	0	111	Y183 K189 A190 E191 L200 I203 A204 L207 Y241	Y183-L187 WeakPolarHBondContact O-CB 3.44Å; Y183-L187 PolarHBondContact O-N 2.75Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 3.3Å; L187-A190 PolarHBondContact O-N 3.48Å; L187-A190 VanDerWaalsContact O-N 3.14Å; L187-E191 HydrophobicContact CD1-CG 4.31Å; L187-E191 HydrophobicContact CG-CG 4.46Å; L187-E191 WeakPolarHBondContact O-CG 3.35Å; L187-E191 PolarHBondContact O-N 2.89Å; L187-L200 HydrophobicContact CD1-CB 4.3Å; L187-L200 HydrophobicContact CD1-CD2 4.09Å; L187-I203 HydrophobicContact CB-CG2 3.79Å; L187-I203 HydrophobicContact CD1-CB 4.24Å; L187-I203 HydrophobicContact CD1-CG2 4.06Å; L187-I203 HydrophobicContact CG-CG2 4.44Å; L187-A204 HydrophobicContact CD2-CB 4.3Å; L187-L207 HydrophobicContact CB-CD1 4.05Å; L187-L207 HydrophobicContact CD2-CD1 3.71Å; L187-Y241 HydrophobicContact CD2-CD1 3.9Å; L187-Y241 HydrophobicContact CD2-CE1 3.72Å
188	S	92.5	Very high	95.1	Very high	21 Å²	21	41.6 Å²	41.6	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-55.9	-44.4	177	-59.2	0	0	0	0	112.2	M1 E184 C185 K192	M1-S188 WeakPolarHBondContact CE-OG 3.42Å; M1-S188 PolarHBondContact SD-OG 3.32Å; E184-S188 WeakPolarHBondContact O-CB 3.26Å; E184-S188 PolarHBondContact O-N 3.08Å; E184-S188 PolarHBondContact O-OG 3.46Å; C185-S188 PolarHBondContact O-N 2.96Å; S188-K192 WeakPolarHBondContact O-CB 3.49Å; S188-K192 PolarHBondContact O-N 3.05Å; S188-K192 VanDerWaalsContact O-N 3.08Å
189	K	92.2	Very high	95	Very high	67 Å²	67	45.6 Å²	45.6	29%	0.291	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-45.3	177.1	-175.9	172	-178.3	175.7	0	111.1	L134 Q135 C185 V186 L187 E191 K192 D193	L134-K189 HydrophobicContact CD2-CB 3.95Å; Q135-K189 VanDerWaalsContact NE2-NZ 3.2Å; C185-K189 PolarHBondContact O-N 2.96Å; V186-K189 PolarHBondContact O-N 2.75Å; L187-K189 VanDerWaalsContact C-N 3.28Å; L187-K189 PolarHBondContact O-N 3.3Å; K189-E191 VanDerWaalsContact C-N 3.32Å; K189-E191 PolarHBondContact O-N 3.08Å; K189-K192 PolarHBondContact O-N 3.28Å; K189-D193 WeakPolarHBondContact O-CB 3.45Å; K189-D193 VanDerWaalsContact O-CG 3.27Å; K189-D193 PolarHBondContact O-N 3.44Å
190	A	94.2	Very high	95	Very high	8 Å²	8	45.2 Å²	45.2	7%	0.066	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-36.6	179.9	0	0	0	0	0	112.6	V186 L187 K194 K195 L200 I203	V186-A190 WeakPolarHBondContact O-CB 3.31Å; V186-A190 PolarHBondContact O-N 2.95Å; L187-A190 PolarHBondContact O-N 3.48Å; L187-A190 VanDerWaalsContact O-N 3.14Å; A190-K194 PolarHBondContact O-N 3.1Å; A190-K195 HydrophobicContact CB-CB 4.3Å; A190-K195 HydrophobicContact CB-CG 3.94Å; A190-K195 WeakPolarHBondContact O-CG 3.41Å; A190-K195 PolarHBondContact O-N 3.45Å; A190-L200 HydrophobicContact CB-CD2 3.43Å; A190-L200 VanDerWaalsContact CB-CD2 3.43Å; A190-I203 HydrophobicContact CB-CD1 4.16Å
191	E	93.2	Very high	95.1	Very high	52 Å²	52	45.2 Å²	45.2	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-45.9	172.5	-73.5	-176.4	157.9	0	0	111.1	L187 K189 D193 K194 L200 H248	L187-E191 HydrophobicContact CD1-CG 4.31Å; L187-E191 HydrophobicContact CG-CG 4.46Å; L187-E191 WeakPolarHBondContact O-CG 3.35Å; L187-E191 PolarHBondContact O-N 2.89Å; K189-E191 VanDerWaalsContact C-N 3.32Å; K189-E191 PolarHBondContact O-N 3.08Å; E191-D193 VanDerWaalsContact C-N 3.33Å; E191-D193 PolarHBondContact O-N 3.4Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-K194 VanDerWaalsContact O-N 3.11Å; E191-L200 HydrophobicContact CG-CD1 4.27Å; E191-L200 HydrophobicContact CG-CD2 4.17Å; E191-H248 IonicContact OE1-CE1 2.86Å; E191-H248 PolarHBondContact OE1-CE1 3.01Å; E191-H248 IonicContact OE1-NE2 2.76Å; E191-H248 PolarHBondContact OE1-NE2 3.42Å
192	K	90.6	Very high	95.1	Very high	123 Å²	123	51 Å²	51	54%	0.535	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-40.6	176.9	-170.9	-172.1	175.5	-162.4	0	112.1	E131 S188 K189 K194	E131-K192 IonicContact OE2-NZ 2.65Å; E131-K192 PolarHBondContact OE2-NZ 2.97Å; S188-K192 WeakPolarHBondContact O-CB 3.49Å; S188-K192 PolarHBondContact O-N 3.05Å; S188-K192 VanDerWaalsContact O-N 3.08Å; K189-K192 PolarHBondContact O-N 3.28Å; K192-K194 PolarHBondContact O-N 3.5Å
193	D	92.6	Very high	95.2	Very high	71 Å²	71	51.3 Å²	51.3	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0.8	178	-68.6	-5.7	0	0	0	113	K189 E191 K195	K189-D193 WeakPolarHBondContact O-CB 3.45Å; K189-D193 VanDerWaalsContact O-CG 3.27Å; K189-D193 PolarHBondContact O-N 3.44Å; E191-D193 VanDerWaalsContact C-N 3.33Å; E191-D193 PolarHBondContact O-N 3.4Å; D193-K195 VanDerWaalsContact C-N 3.27Å; D193-K195 HydrophobicContact CB-CD 4.36Å; D193-K195 HydrophobicContact CB-CG 4.22Å; D193-K195 PolarHBondContact O-N 3.25Å
194	K	93.2	Very high	95.3	Very high	190 Å²	190	51.1 Å²	51.1	83%	0.826	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	45	-178.2	-58.4	-177.8	179.7	-179.1	0	112.6	A190 E191 K192	A190-K194 PolarHBondContact O-N 3.1Å; E191-K194 PolarHBondContact O-N 2.9Å; E191-K194 VanDerWaalsContact O-N 3.11Å; K192-K194 PolarHBondContact O-N 3.5Å
195	K	96.4	Very high	95.4	Very high	101 Å²	101	51.6 Å²	51.6	44%	0.439	24%	0.244	S	C	.	.			trans	-62.1	157.7	174.4	-62	-60.2	-176.3	-173.4	0	110.7	A190 D193 L200	A190-K195 HydrophobicContact CB-CB 4.3Å; A190-K195 HydrophobicContact CB-CG 3.94Å; A190-K195 WeakPolarHBondContact O-CG 3.41Å; A190-K195 PolarHBondContact O-N 3.45Å; D193-K195 VanDerWaalsContact C-N 3.27Å; D193-K195 HydrophobicContact CB-CD 4.36Å; D193-K195 HydrophobicContact CB-CG 4.22Å; D193-K195 PolarHBondContact O-N 3.25Å; K195-L200 HydrophobicContact CB-CD2 4.28Å
196	K	96.6	Very high	95.6	Very high	154 Å²	154	52.2 Å²	52.2	67%	0.67	25%	0.248	S	C	*	.			trans	-52.4	136.4	-179.9	-71.3	-172.6	175.2	-175.5	0	111	G198 I199 L200	K196-G198 PolarHBondContact O-N 3.24Å; K196-G198 VanDerWaalsContact O-N 3.17Å; K196-I199 HydrophobicContact CB-CD1 4.27Å; K196-I199 HydrophobicContact CB-CG1 4.38Å; K196-I199 WeakPolarHBondContact O-CB 3.08Å; K196-I199 PolarHBondContact O-N 2.71Å; K196-L200 PolarHBondContact O-N 2.75Å
197	P	96.7	Very high	95.7	Very high	18 Å²	18	51.2 Å²	51.2	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-55.5	-36.8	-177	-25.4	32.6	0	0	0	114.1	I199 L200 A201 H248 K251 A252 E255	P197-I199 VanDerWaalsContact C-N 3.26Å; P197-I199 PolarHBondContact O-N 3.3Å; P197-L200 WeakPolarHBondContact O-CB 3.43Å; P197-L200 PolarHBondContact O-N 2.99Å; P197-L200 VanDerWaalsContact O-N 3.12Å; P197-A201 PolarHBondContact O-N 2.7Å; P197-H248 WeakPolarHBondContact CB-O 3.35Å; P197-K251 HydrophobicContact CB-CB 3.61Å; P197-K251 HydrophobicContact CG-CB 3.9Å; P197-A252 HydrophobicContact CB-CB 4.26Å; P197-E255 VanDerWaalsContact CD-OE1 3.26Å; P197-E255 WeakPolarHBondContact CD-OE1 3.48Å; P197-E255 WeakPolarHBondContact CD-OE2 3.43Å; P197-E255 WeakPolarHBondContact CG-OE1 3.38Å
198	G	96.3	Very high	95.9	Very high	21 Å²	21	51.7 Å²	51.7	22%	0.216	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-33.1	176	0	0	0	0	0	113.5	K196 R202	K196-G198 PolarHBondContact O-N 3.24Å; K196-G198 VanDerWaalsContact O-N 3.17Å; G198-R202 WeakPolarHBondContact O-CG 3.48Å; G198-R202 PolarHBondContact O-N 2.87Å
199	I	96.5	Very high	96.1	Very high	85 Å²	85	53.9 Å²	53.9	44%	0.436	26%	0.255	S	S	.	.	H	α-helix	trans	-71.5	-42.4	175.3	-61.8	173.6	0	0	0	110.1	K196 P197 A201 R202 I203	K196-I199 HydrophobicContact CB-CD1 4.27Å; K196-I199 HydrophobicContact CB-CG1 4.38Å; K196-I199 WeakPolarHBondContact O-CB 3.08Å; K196-I199 PolarHBondContact O-N 2.71Å; P197-I199 VanDerWaalsContact C-N 3.26Å; P197-I199 PolarHBondContact O-N 3.3Å; I199-A201 VanDerWaalsContact C-N 3.3Å; I199-A201 PolarHBondContact O-N 3.13Å; I199-R202 PolarHBondContact O-N 3.36Å; I199-I203 HydrophobicContact CG2-CD1 3.89Å; I199-I203 HydrophobicContact CG2-CG1 4.5Å; I199-I203 WeakPolarHBondContact O-CG1 3.5Å; I199-I203 PolarHBondContact O-N 2.94Å
200	L	97.9	Very high	96.4	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-40.9	177.1	-58.4	178.2	0	0	0	111.2	L187 A190 E191 K195 K196 P197 I203 A204 H248	L187-L200 HydrophobicContact CD1-CB 4.3Å; L187-L200 HydrophobicContact CD1-CD2 4.09Å; A190-L200 HydrophobicContact CB-CD2 3.43Å; A190-L200 VanDerWaalsContact CB-CD2 3.43Å; E191-L200 HydrophobicContact CG-CD1 4.27Å; E191-L200 HydrophobicContact CG-CD2 4.17Å; K195-L200 HydrophobicContact CB-CD2 4.28Å; K196-L200 PolarHBondContact O-N 2.75Å; P197-L200 WeakPolarHBondContact O-CB 3.43Å; P197-L200 PolarHBondContact O-N 2.99Å; P197-L200 VanDerWaalsContact O-N 3.12Å; L200-I203 PolarHBondContact O-N 2.93Å; L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 2.84Å; L200-H248 HydrophobicContact CB-CB 3.98Å
201	A	97.8	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-45.6	176	0	0	0	0	0	111.9	P197 I199 A204 S205 H248 Q249 V319	P197-A201 PolarHBondContact O-N 2.7Å; I199-A201 VanDerWaalsContact C-N 3.3Å; I199-A201 PolarHBondContact O-N 3.13Å; A201-A204 PolarHBondContact O-N 3.48Å; A201-S205 WeakPolarHBondContact O-CB 3.33Å; A201-S205 PolarHBondContact O-N 2.96Å; A201-H248 HydrophobicContact CB-CB 3.86Å; A201-Q249 HydrophobicContact CB-CB 3.98Å; A201-V319 HydrophobicContact CB-CG1 3.98Å
202	R	98.2	Very high	96.7	Very high	122 Å²	122	52.8 Å²	52.8	46%	0.46	25%	0.25	S	S	.	.	H	α-helix	trans	-65.5	-39.7	178	-64.3	-177	-168.6	-173.8	-2.7	112.8	G198 I199 S205 T206 V319 E320 V322	G198-R202 WeakPolarHBondContact O-CG 3.48Å; G198-R202 PolarHBondContact O-N 2.87Å; I199-R202 PolarHBondContact O-N 3.36Å; R202-S205 WeakPolarHBondContact O-CB 3.13Å; R202-S205 PolarHBondContact O-N 3.38Å; R202-T206 PolarHBondContact O-N 3.15Å; R202-T206 PolarHBondContact O-OG1 2.99Å; R202-V319 HydrophobicContact CG-CG1 4.38Å; R202-E320 VanDerWaalsContact CA-O 3.29Å; R202-E320 WeakPolarHBondContact CA-O 3.48Å; R202-E320 VanDerWaalsContact CB-O 3.28Å; R202-E320 WeakPolarHBondContact CB-O 3.06Å; R202-E320 VanDerWaalsContact CG-O 3.22Å; R202-E320 WeakPolarHBondContact CG-O 3.47Å; R202-E320 IonicContact CZ-OE2 3.74Å; R202-V322 HydrophobicContact CB-CB 4.12Å; R202-V322 HydrophobicContact CB-CG1 3.92Å
203	I	98.1	Very high	97	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-43.9	175.9	-64.9	164.7	0	0	0	110.6	Y183 V186 L187 A190 I199 L200 S205 T206 L207 V322	Y183-I203 HydrophobicContact CD1-CG2 4.21Å; V186-I203 HydrophobicContact CG1-CD1 4.13Å; V186-I203 HydrophobicContact CG1-CG2 4.45Å; L187-I203 HydrophobicContact CB-CG2 3.79Å; L187-I203 HydrophobicContact CD1-CB 4.24Å; L187-I203 HydrophobicContact CD1-CG2 4.06Å; L187-I203 HydrophobicContact CG-CG2 4.44Å; A190-I203 HydrophobicContact CB-CD1 4.16Å; I199-I203 HydrophobicContact CG2-CD1 3.89Å; I199-I203 HydrophobicContact CG2-CG1 4.5Å; I199-I203 WeakPolarHBondContact O-CG1 3.5Å; I199-I203 PolarHBondContact O-N 2.94Å; L200-I203 PolarHBondContact O-N 2.93Å; I203-S205 VanDerWaalsContact C-N 3.29Å; I203-S205 PolarHBondContact O-N 3.27Å; I203-T206 WeakPolarHBondContact O-CB 3.48Å; I203-T206 PolarHBondContact O-N 2.98Å; I203-L207 HydrophobicContact CG2-CD1 4.49Å; I203-L207 PolarHBondContact O-N 3.32Å; I203-L207 VanDerWaalsContact O-N 3.09Å; I203-V322 HydrophobicContact CB-CG1 4.46Å; I203-V322 HydrophobicContact CG1-CG1 3.78Å
204	A	97.8	Very high	97.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-33.7	176	0	0	0	0	0	112.2	L187 L200 A201 L207 T208 L244 T245	L187-A204 HydrophobicContact CD2-CB 4.3Å; L200-A204 WeakPolarHBondContact O-CB 3.45Å; L200-A204 PolarHBondContact O-N 2.84Å; A201-A204 PolarHBondContact O-N 3.48Å; A204-L207 WeakPolarHBondContact O-CB 3.37Å; A204-L207 PolarHBondContact O-N 3.22Å; A204-T208 PolarHBondContact O-N 2.84Å; A204-T208 PolarHBondContact O-OG1 3.4Å; A204-L244 HydrophobicContact CB-CB 4.27Å; A204-T245 VanDerWaalsContact CB-OG1 3.29Å; A204-T245 WeakPolarHBondContact CB-OG1 3.41Å; A204-T245 PolarHBondContact O-OG1 3.38Å
205	S	98.2	Very high	97.3	Very high	11 Å²	11	40 Å²	40	8%	0.077	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-47.9	172.7	175	0	0	0	0	111	A201 R202 I203 L207 T208 N209 T245 V319 S321	A201-S205 WeakPolarHBondContact O-CB 3.33Å; A201-S205 PolarHBondContact O-N 2.96Å; R202-S205 WeakPolarHBondContact O-CB 3.13Å; R202-S205 PolarHBondContact O-N 3.38Å; I203-S205 VanDerWaalsContact C-N 3.29Å; I203-S205 PolarHBondContact O-N 3.27Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 3.37Å; S205-T208 WeakPolarHBondContact O-CB 3.47Å; S205-T208 PolarHBondContact O-N 3.34Å; S205-T208 VanDerWaalsContact O-N 3.08Å; S205-N209 PolarHBondContact O-N 3.02Å; S205-N209 VanDerWaalsContact O-N 3.14Å; S205-T245 WeakPolarHBondContact CA-OG1 3.48Å; S205-T245 PolarHBondContact N-OG1 2.94Å; S205-V319 PolarHBondContact OG-O 3.43Å; S205-S321 PolarHBondContact OG-OG 3.27Å
206	T	98.1	Very high	97.2	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-55.8	-43.5	173.9	-53.3	0	0	0	0	112	Y183 R202 I203 T208 N209 L210 S321 V322	Y183-T206 HydrophobicContact CD1-CG2 4.32Å; Y183-T206 HydrophobicContact CD2-CG2 4.17Å; Y183-T206 HydrophobicContact CE1-CG2 4.04Å; Y183-T206 HydrophobicContact CE2-CG2 3.9Å; Y183-T206 HydrophobicContact CG-CG2 4.39Å; R202-T206 PolarHBondContact O-N 3.15Å; R202-T206 PolarHBondContact O-OG1 2.99Å; I203-T206 WeakPolarHBondContact O-CB 3.48Å; I203-T206 PolarHBondContact O-N 2.98Å; T206-T208 VanDerWaalsContact C-N 3.32Å; T206-T208 PolarHBondContact O-N 2.91Å; T206-N209 PolarHBondContact O-N 3.4Å; T206-L210 HydrophobicContact CG2-CD1 4Å; T206-L210 HydrophobicContact CG2-CG 4.44Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.22Å; T206-S321 WeakPolarHBondContact OG1-CB 3.13Å; T206-V322 PolarHBondContact OG1-N 3.1Å; T206-V322 PolarHBondContact OG1-O 3.36Å
207	L	97.8	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-39.9	176.5	-81	162.9	0	0	0	112.9	A180 E184 L187 I203 A204 S205 Y211 Y241	A180-L207 HydrophobicContact CB-CD2 4.45Å; A180-L207 WeakPolarHBondContact O-CD2 3.4Å; E184-L207 HydrophobicContact CG-CD2 3.75Å; L187-L207 HydrophobicContact CB-CD1 4.05Å; L187-L207 HydrophobicContact CD2-CD1 3.71Å; I203-L207 HydrophobicContact CG2-CD1 4.49Å; I203-L207 PolarHBondContact O-N 3.32Å; I203-L207 VanDerWaalsContact O-N 3.09Å; A204-L207 WeakPolarHBondContact O-CB 3.37Å; A204-L207 PolarHBondContact O-N 3.22Å; S205-L207 VanDerWaalsContact C-N 3.29Å; S205-L207 PolarHBondContact O-N 3.37Å; L207-Y211 HydrophobicContact CD2-CD2 4.47Å; L207-Y211 HydrophobicContact CD2-CE2 3.92Å; L207-Y211 VanDerWaalsContact O-CD2 3.24Å; L207-Y211 WeakPolarHBondContact O-CD2 3.49Å; L207-Y211 PolarHBondContact O-N 2.87Å; L207-Y241 HydrophobicContact CB-CD1 4.06Å; L207-Y241 HydrophobicContact CB-CD2 4.05Å; L207-Y241 HydrophobicContact CB-CG 3.69Å; L207-Y241 HydrophobicContact CD1-CD1 3.62Å; L207-Y241 HydrophobicContact CD1-CE1 3.68Å; L207-Y241 HydrophobicContact CD1-CG 4.11Å; L207-Y241 HydrophobicContact CG-CD1 4.4Å; L207-Y241 HydrophobicContact CG-CG 4.41Å
208	T	97.9	Very high	96.7	Very high	11 Å²	11	33 Å²	33	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-47.8	179.7	-55.1	0	0	0	0	110.4	A204 S205 T206 Y211 E212 K238 Y241 E242	A204-T208 PolarHBondContact O-N 2.84Å; A204-T208 PolarHBondContact O-OG1 3.4Å; S205-T208 WeakPolarHBondContact O-CB 3.47Å; S205-T208 PolarHBondContact O-N 3.34Å; S205-T208 VanDerWaalsContact O-N 3.08Å; T206-T208 VanDerWaalsContact C-N 3.32Å; T206-T208 PolarHBondContact O-N 2.91Å; T208-Y211 PolarHBondContact O-N 3.24Å; T208-E212 WeakPolarHBondContact O-CB 3.29Å; T208-E212 PolarHBondContact O-N 2.96Å; T208-K238 HydrophobicContact CG2-CG 4.22Å; T208-Y241 PolarHBondContact OG1-O 2.75Å; T208-E242 HydrophobicContact CG2-CB 3.78Å; T208-E242 HydrophobicContact CG2-CG 4.1Å; T208-E242 WeakPolarHBondContact OG1-CA 3.39Å; T208-E242 PolarHBondContact OG1-N 3.11Å; T208-E242 VanDerWaalsContact OG1-N 3.12Å
209	N	97.8	Very high	96.3	Very high	68 Å²	68	35.7 Å²	35.7	36%	0.364	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-46.7	179.2	-64.5	-9.8	0	0	0	111.6	S205 T206 Y211 E212 D213 S321	S205-N209 PolarHBondContact O-N 3.02Å; S205-N209 VanDerWaalsContact O-N 3.14Å; T206-N209 PolarHBondContact O-N 3.4Å; N209-Y211 VanDerWaalsContact C-N 3.32Å; N209-Y211 PolarHBondContact O-N 3.24Å; N209-E212 WeakPolarHBondContact O-CB 2.85Å; N209-E212 PolarHBondContact O-N 3.01Å; N209-E212 VanDerWaalsContact O-N 3.13Å; N209-D213 PolarHBondContact O-N 3.07Å; N209-S321 PolarHBondContact ND2-OG 2.85Å
210	L	97.7	Very high	95.9	Very high	18 Å²	18	33.7 Å²	33.7	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-39.7	178.9	-70.8	171.3	0	0	0	112.5	L179 A180 Y183 T206 D213 C214	L179-L210 HydrophobicContact CD2-CD1 4.14Å; L179-L210 HydrophobicContact CD2-CD2 3.9Å; L179-L210 HydrophobicContact CG-CD1 4Å; A180-L210 HydrophobicContact CB-CB 3.83Å; A180-L210 HydrophobicContact CB-CD1 4.26Å; Y183-L210 HydrophobicContact CD2-CD1 3.61Å; Y183-L210 HydrophobicContact CE2-CD1 4.07Å; Y183-L210 HydrophobicContact CG-CD1 4.47Å; T206-L210 HydrophobicContact CG2-CD1 4Å; T206-L210 HydrophobicContact CG2-CG 4.44Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.22Å; L210-D213 PolarHBondContact O-N 3.42Å; L210-C214 PolarHBondContact O-N 2.68Å; L210-C214 PolarHBondContact O-SG 3.05Å
211	Y	97.7	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-73.5	-28.7	176.4	-80.1	-55.1	0	0	0	113.3	L177 A180 Q181 E184 L207 T208 N209 L215 L234 K237 Y241	L177-Y211 HydrophobicContact CD1-CE1 3.94Å; A180-Y211 HydrophobicContact CB-CD1 4.19Å; A180-Y211 HydrophobicContact CB-CD2 4.3Å; A180-Y211 HydrophobicContact CB-CE1 3.71Å; A180-Y211 HydrophobicContact CB-CE2 3.85Å; A180-Y211 HydrophobicContact CB-CG 4.43Å; A180-Y211 VanDerWaalsContact CB-CZ 3.48Å; Q181-Y211 WeakPolarHBondContact CG-OH 3.28Å; E184-Y211 HydrophobicContact CG-CE2 4.25Å; E184-Y211 WeakPolarHBondContact OE1-CE2 3.49Å; E184-Y211 VanDerWaalsContact OE1-CZ 3.32Å; E184-Y211 PolarHBondContact OE1-OH 3.25Å; L207-Y211 HydrophobicContact CD2-CD2 4.47Å; L207-Y211 HydrophobicContact CD2-CE2 3.92Å; L207-Y211 VanDerWaalsContact O-CD2 3.24Å; L207-Y211 WeakPolarHBondContact O-CD2 3.49Å; L207-Y211 PolarHBondContact O-N 2.87Å; T208-Y211 PolarHBondContact O-N 3.24Å; N209-Y211 VanDerWaalsContact C-N 3.32Å; N209-Y211 PolarHBondContact O-N 3.24Å; Y211-L215 WeakPolarHBondContact O-CB 3.26Å; Y211-L215 PolarHBondContact O-N 2.97Å; Y211-L234 HydrophobicContact CD1-CD2 3.77Å; Y211-L234 HydrophobicContact CE1-CD2 4.02Å; Y211-K237 HydrophobicContact CD1-CB 4.16Å; Y211-K237 HydrophobicContact CD1-CD 4.41Å; Y211-K237 HydrophobicContact CD2-CB 3.91Å; Y211-K237 HydrophobicContact CE1-CB 4.27Å; Y211-K237 HydrophobicContact CE1-CD 3.76Å; Y211-K237 HydrophobicContact CE2-CB 3.99Å; Y211-K237 HydrophobicContact CE2-CD 4.15Å; Y211-K237 HydrophobicContact CG-CB 4.02Å; Y211-Y241 AromaticContact CD2-CD2 3.68Å; Y211-Y241 HydrophobicContact CD2-CD2 3.68Å; Y211-Y241 HydrophobicContact CD2-CE2 4.07Å; Y211-Y241 AromaticContact CE2-CD2 3.7Å; Y211-Y241 HydrophobicContact CE2-CD2 3.7Å; Y211-Y241 AromaticContact CE2-CE2 3.59Å; Y211-Y241 HydrophobicContact CE2-CE2 3.59Å
212	E	97.2	Very high	94.6	Very high	86 Å²	86	35.7 Å²	35.7	40%	0.402	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-46.1	170	178.1	158	-121.8	0	0	111.5	T208 N209 C214 L215 S216 K238	T208-E212 WeakPolarHBondContact O-CB 3.29Å; T208-E212 PolarHBondContact O-N 2.96Å; N209-E212 WeakPolarHBondContact O-CB 2.85Å; N209-E212 PolarHBondContact O-N 3.01Å; N209-E212 VanDerWaalsContact O-N 3.13Å; E212-C214 VanDerWaalsContact C-N 3.32Å; E212-C214 PolarHBondContact O-N 2.9Å; E212-L215 PolarHBondContact O-N 2.91Å; E212-L215 VanDerWaalsContact O-N 3.11Å; E212-S216 PolarHBondContact O-N 3.02Å; E212-K238 HydrophobicContact CB-CD 4.05Å; E212-K238 HydrophobicContact CB-CG 4.43Å; E212-K238 IonicContact OE1-NZ 3.7Å; E212-K238 PolarHBondContact OE1-NZ 3.26Å
213	D	96.3	Very high	94	Very high	75 Å²	75	36.5 Å²	36.5	40%	0.401	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-40.2	174.7	-66.3	-22.4	0	0	0	111.6	N209 L210 L215 S216 E217	N209-D213 PolarHBondContact O-N 3.07Å; L210-D213 PolarHBondContact O-N 3.42Å; D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 2.85Å; D213-S216 PolarHBondContact O-N 3.06Å; D213-S216 PolarHBondContact O-OG 3.42Å; D213-E217 PolarHBondContact O-N 3.22Å
214	C	96.5	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-38.9	174.3	-67.8	0	0	0	0	111.9	L173 N176 L177 L210 E212 C218 L234	L173-C214 HydrophobicContact CD1-CB 3.68Å; L173-C214 VanDerWaalsContact CD1-O 3.22Å; L173-C214 WeakPolarHBondContact CD1-O 3.35Å; N176-C214 VanDerWaalsContact C-SG 3.59Å; L177-C214 VanDerWaalsContact CA-SG 3.58Å; L177-C214 PolarHBondContact N-SG 3.28Å; L210-C214 PolarHBondContact O-N 2.68Å; L210-C214 PolarHBondContact O-SG 3.05Å; E212-C214 VanDerWaalsContact C-N 3.32Å; E212-C214 PolarHBondContact O-N 2.9Å; C214-C218 WeakPolarHBondContact O-CB 3.31Å; C214-C218 PolarHBondContact O-N 3.38Å; C214-L234 HydrophobicContact CB-CD1 4.16Å; C214-L234 HydrophobicContact CB-CD2 3.98Å
215	L	94.5	Very high	93	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-36.6	-178.5	-174.9	64.4	0	0	0	112	Y211 E212 D213 S219 L234	Y211-L215 WeakPolarHBondContact O-CB 3.26Å; Y211-L215 PolarHBondContact O-N 2.97Å; E212-L215 PolarHBondContact O-N 2.91Å; E212-L215 VanDerWaalsContact O-N 3.11Å; D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 2.85Å; L215-S219 WeakPolarHBondContact O-CB 3.47Å; L215-S219 PolarHBondContact O-N 3.44Å; L215-S219 VanDerWaalsContact O-N 3.09Å; L215-S219 PolarHBondContact O-OG 2.92Å; L215-L234 HydrophobicContact CD1-CB 4.13Å
216	S	94.6	Very high	92.5	Very high	68 Å²	68	43 Å²	43	48%	0.476	26%	0.255	S	S	.	.	H	α-helix	trans	-65.8	-48.4	176.7	68.2	0	0	0	0	111.1	E212 D213 C218 S219 G220	E212-S216 PolarHBondContact O-N 3.02Å; D213-S216 PolarHBondContact O-N 3.06Å; D213-S216 PolarHBondContact O-OG 3.42Å; S216-C218 PolarHBondContact O-N 2.86Å; S216-S219 PolarHBondContact O-N 2.75Å; S216-G220 PolarHBondContact O-N 3.08Å
217	E	92.3	Very high	92	Very high	52 Å²	52	44.4 Å²	44.4	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-40.1	176.9	-70.5	-62.6	161.8	0	0	112.5	S169 L173 D213 S219 G220 G221 A222	S169-E217 VanDerWaalsContact CB-OE2 3.29Å; S169-E217 WeakPolarHBondContact CB-OE2 3.37Å; S169-E217 PolarHBondContact OG-OE2 3.47Å; L173-E217 HydrophobicContact CB-CB 3.94Å; L173-E217 HydrophobicContact CD1-CB 4.27Å; L173-E217 HydrophobicContact CG-CB 4.49Å; D213-E217 PolarHBondContact O-N 3.22Å; E217-S219 PolarHBondContact O-N 3.18Å; E217-G220 CarbonylContact O-C 3.55Å; E217-G220 PolarHBondContact O-N 3.08Å; E217-G221 PolarHBondContact O-N 3.1Å; E217-A222 PolarHBondContact O-N 2.95Å; E217-A222 VanDerWaalsContact O-N 3.13Å
218	C	91	Very high	91.4	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-32.5	175.6	179.8	0	0	0	0	112.4	L173 C214 S216 K223 L234	L173-C218 HydrophobicContact CD2-CB 4.18Å; C214-C218 WeakPolarHBondContact O-CB 3.31Å; C214-C218 PolarHBondContact O-N 3.38Å; S216-C218 PolarHBondContact O-N 2.86Å; C218-K223 VanDerWaalsContact O-CA 3.3Å; C218-K223 WeakPolarHBondContact O-CA 3.25Å; C218-L234 HydrophobicContact CB-CD1 3.87Å
219	S	87.3	Confident	90.9	Very high	76 Å²	76	58 Å²	58	53%	0.531	33%	0.327	S	S	.	.	H	α-helix	trans	-89.2	-19.6	178.6	-55.1	0	0	0	0	112.8	L215 S216 E217	L215-S219 WeakPolarHBondContact O-CB 3.47Å; L215-S219 PolarHBondContact O-N 3.44Å; L215-S219 VanDerWaalsContact O-N 3.09Å; L215-S219 PolarHBondContact O-OG 2.92Å; S216-S219 PolarHBondContact O-N 2.75Å; E217-S219 PolarHBondContact O-N 3.18Å
220	G	88.3	Confident	90.6	Very high	44 Å²	44	55.1 Å²	55.1	45%	0.454	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-117.1	179.6	0	0	0	0	0	112.9	S216 E217 A222 K223	S216-G220 PolarHBondContact O-N 3.08Å; E217-G220 CarbonylContact O-C 3.55Å; E217-G220 PolarHBondContact O-N 3.08Å; G220-A222 VanDerWaalsContact C-N 3.28Å; G220-A222 PolarHBondContact O-N 3.39Å; G220-K223 WeakPolarHBondContact O-CB 3.35Å; G220-K223 PolarHBondContact O-N 3.47Å
221	G	81.4	Confident	90.3	Very high	53 Å²	53	56.7 Å²	56.7	55%	0.546	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.3	-167.3	0	0	0	0	0	115	E217	E217-G221 PolarHBondContact O-N 3.1Å
222	A	87.5	Confident	90	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	2.2	-176.9	0	0	0	0	0	114.2	L173 E217 G220 N224 V225 V226	L173-A222 HydrophobicContact CB-CB 4.49Å; L173-A222 HydrophobicContact CD2-CB 3.57Å; E217-A222 PolarHBondContact O-N 2.95Å; E217-A222 VanDerWaalsContact O-N 3.13Å; G220-A222 VanDerWaalsContact C-N 3.28Å; G220-A222 PolarHBondContact O-N 3.39Å; A222-N224 VanDerWaalsContact C-N 3.25Å; A222-N224 PolarHBondContact O-N 3.17Å; A222-V225 WeakPolarHBondContact O-CB 3.36Å; A222-V225 PolarHBondContact O-N 3.23Å; A222-V226 PolarHBondContact O-N 3.01Å
223	K	86.7	Confident	89.7	Confident	138 Å²	138	55.4 Å²	55.4	60%	0.6	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.2	-170.9	179.5	179.6	177.5	179.9	0	115.1	C218 G220 V225	C218-K223 VanDerWaalsContact O-CA 3.3Å; C218-K223 WeakPolarHBondContact O-CA 3.25Å; G220-K223 WeakPolarHBondContact O-CB 3.35Å; G220-K223 PolarHBondContact O-N 3.47Å; K223-V225 VanDerWaalsContact C-N 3.32Å
224	N	84.7	Confident	89.7	Confident	132 Å²	132	51.9 Å²	51.9	71%	0.706	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.7	-175.8	-66.8	-34.8	0	0	0	113.8	A222	A222-N224 VanDerWaalsContact C-N 3.25Å; A222-N224 PolarHBondContact O-N 3.17Å
225	V	88.7	Confident	89.5	Confident	8 Å²	8	54.9 Å²	54.9	5%	0.048	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-42.7	-172.6	-178.3	0	0	0	0	111.4	I93 P164 D165 F174 A222 K223	I93-V225 HydrophobicContact CD1-CG1 3.82Å; I93-V225 HydrophobicContact CG1-CG1 3.71Å; P164-V225 HydrophobicContact CB-CG2 3.42Å; P164-V225 VanDerWaalsContact CB-CG2 3.42Å; P164-V225 WeakPolarHBondContact O-CG2 3.49Å; D165-V225 HydrophobicContact CB-CG1 3.62Å; F174-V225 HydrophobicContact CZ-CG1 4.12Å; A222-V225 WeakPolarHBondContact O-CB 3.36Å; A222-V225 PolarHBondContact O-N 3.23Å; K223-V225 VanDerWaalsContact C-N 3.32Å
226	V	87.9	Confident	89.5	Confident	13 Å²	13	54 Å²	54	8%	0.079	33%	0.327	C	S	.	.	S	Bend	trans	-80.4	150.5	-173.1	-65.1	0	0	0	0	113.1	L173 F174 A222 W230	L173-V226 HydrophobicContact CD2-CG1 3.56Å; F174-V226 HydrophobicContact CE1-CG1 4.08Å; F174-V226 HydrophobicContact CZ-CG1 4.44Å; A222-V226 PolarHBondContact O-N 3.01Å; V226-W230 HydrophobicContact CB-CD2 4.32Å; V226-W230 HydrophobicContact CB-CE3 3.86Å; V226-W230 HydrophobicContact CB-CZ3 4.34Å; V226-W230 HydrophobicContact CG1-CE3 3.76Å; V226-W230 HydrophobicContact CG1-CZ3 3.82Å
227	P	88.2	Confident	89.6	Confident	43 Å²	43	51.2 Å²	51.2	28%	0.279	31%	0.306	S	S	.	.			trans	-54.9	140.5	171.5	-25.8	35.2	0	0	0	112.3	D229 W230	P227-D229 WeakPolarHBondContact CB-OD1 3.41Å; P227-D229 PolarHBondContact O-N 3.28Å; P227-W230 HydrophobicContact CB-CG 4.27Å; P227-W230 HydrophobicContact CG-CD2 4.44Å; P227-W230 HydrophobicContact CG-CG 4.46Å; P227-W230 HydrophobicContact CG-CZ2 4.38Å; P227-W230 WeakPolarHBondContact O-CB 3.24Å; P227-W230 PolarHBondContact O-N 3.45Å; P227-W230 VanDerWaalsContact O-N 3.13Å
228	K	85.7	Confident	89.8	Confident	193 Å²	193	51 Å²	51	84%	0.839	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.2	-171.9	-68.9	-176.7	178	179.5	0	113.3	W230 S231	K228-W230 VanDerWaalsContact C-N 3.33Å; K228-S231 PolarHBondContact O-OG 3.09Å
229	D	87.2	Confident	90	Very high	103 Å²	103	51.1 Å²	51.1	55%	0.551	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.8	-178.5	59.1	-48.4	0	0	0	113.6	P227 S231 G232 V233	P227-D229 WeakPolarHBondContact CB-OD1 3.41Å; P227-D229 PolarHBondContact O-N 3.28Å; D229-S231 PolarHBondContact O-N 2.96Å; D229-G232 PolarHBondContact O-N 3.48Å; D229-V233 PolarHBondContact O-N 3.25Å
230	W	91.6	Very high	90.4	Very high	8 Å²	8	48.1 Å²	48.1	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-42.9	-179.2	-80.9	24.7	0	0	0	113	L4 S5 I6 F174 L177 V226 P227 K228 G232 V233 L234	L4-W230 HydrophobicContact CD1-CD2 4.17Å; L4-W230 HydrophobicContact CD1-CG 4.17Å; S5-W230 WeakPolarHBondContact O-CZ2 3.4Å; I6-W230 HydrophobicContact CG1-CH2 4.04Å; F174-W230 HydrophobicContact CD1-CH2 4.27Å; F174-W230 HydrophobicContact CD1-CZ3 4.17Å; F174-W230 HydrophobicContact CE1-CH2 4.02Å; F174-W230 AromaticContact CE1-CZ3 3.91Å; F174-W230 HydrophobicContact CE1-CZ3 3.91Å; L177-W230 HydrophobicContact CD2-CE3 4.05Å; L177-W230 HydrophobicContact CD2-CH2 3.64Å; L177-W230 HydrophobicContact CD2-CZ2 4.4Å; L177-W230 HydrophobicContact CD2-CZ3 3.43Å; L177-W230 VanDerWaalsContact CD2-CZ3 3.43Å; V226-W230 HydrophobicContact CB-CD2 4.32Å; V226-W230 HydrophobicContact CB-CE3 3.86Å; V226-W230 HydrophobicContact CB-CZ3 4.34Å; V226-W230 HydrophobicContact CG1-CE3 3.76Å; V226-W230 HydrophobicContact CG1-CZ3 3.82Å; P227-W230 HydrophobicContact CB-CG 4.27Å; P227-W230 HydrophobicContact CG-CD2 4.44Å; P227-W230 HydrophobicContact CG-CG 4.46Å; P227-W230 HydrophobicContact CG-CZ2 4.38Å; P227-W230 WeakPolarHBondContact O-CB 3.24Å; P227-W230 PolarHBondContact O-N 3.45Å; P227-W230 VanDerWaalsContact O-N 3.13Å; K228-W230 VanDerWaalsContact C-N 3.33Å; W230-G232 PolarHBondContact O-N 2.89Å; W230-V233 PolarHBondContact O-N 3.4Å; W230-L234 WeakPolarHBondContact O-CB 3.48Å; W230-L234 VanDerWaalsContact O-CG 3.28Å; W230-L234 WeakPolarHBondContact O-CG 3.28Å; W230-L234 PolarHBondContact O-N 3.21Å
231	S	90.3	Very high	90.8	Very high	52 Å²	52	46.1 Å²	46.1	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-52.8	-42.4	179.3	59.9	0	0	0	0	112.8	K228 D229 S235	K228-S231 PolarHBondContact O-OG 3.09Å; D229-S231 PolarHBondContact O-N 2.96Å; S231-S235 VanDerWaalsContact O-CB 3.3Å; S231-S235 WeakPolarHBondContact O-CB 3.45Å; S231-S235 PolarHBondContact O-N 3.45Å
232	G	91.1	Very high	91.6	Very high	36 Å²	36	46.3 Å²	46.3	37%	0.371	25%	0.25	S	S	.	.	H	α-helix	trans	-68.6	-40.5	176.8	0	0	0	0	0	112.9	D229 W230 M236	D229-G232 PolarHBondContact O-N 3.48Å; W230-G232 PolarHBondContact O-N 2.89Å; G232-M236 WeakPolarHBondContact O-CB 3.45Å; G232-M236 PolarHBondContact O-N 3.17Å
233	V	92.8	Very high	92.1	Very high	23 Å²	23	46.3 Å²	46.3	14%	0.139	25%	0.25	C	S	.	.	H	α-helix	trans	-67.5	-43.6	177	179.6	0	0	0	0	111.4	L4 D229 W230 M236 K237 C281	L4-V233 HydrophobicContact CD1-CB 4.36Å; L4-V233 HydrophobicContact CD1-CG1 4.02Å; L4-V233 HydrophobicContact CD2-CB 4.44Å; L4-V233 HydrophobicContact CD2-CG1 4.04Å; L4-V233 HydrophobicContact CG-CG1 4.14Å; D229-V233 PolarHBondContact O-N 3.25Å; W230-V233 PolarHBondContact O-N 3.4Å; V233-M236 HydrophobicContact CG1-CE 4.35Å; V233-M236 PolarHBondContact O-N 3Å; V233-K237 HydrophobicContact CG1-CD 4.14Å; V233-K237 HydrophobicContact CG1-CG 4.43Å; V233-K237 WeakPolarHBondContact O-CB 3.32Å; V233-K237 WeakPolarHBondContact O-CG 3.49Å; V233-K237 PolarHBondContact O-N 3.1Å; V233-C281 HydrophobicContact CG2-CB 4.41Å
234	L	94.6	Very high	92.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-45.4	178.4	-66.7	173.6	0	0	0	111.2	L4 L177 Y211 C214 L215 C218 W230 M236 K237 K238	L4-L234 HydrophobicContact CD1-CD2 4.21Å; L177-L234 HydrophobicContact CD1-CD2 3.81Å; Y211-L234 HydrophobicContact CD1-CD2 3.77Å; Y211-L234 HydrophobicContact CE1-CD2 4.02Å; C214-L234 HydrophobicContact CB-CD1 4.16Å; C214-L234 HydrophobicContact CB-CD2 3.98Å; L215-L234 HydrophobicContact CD1-CB 4.13Å; C218-L234 HydrophobicContact CB-CD1 3.87Å; W230-L234 WeakPolarHBondContact O-CB 3.48Å; W230-L234 VanDerWaalsContact O-CG 3.28Å; W230-L234 WeakPolarHBondContact O-CG 3.28Å; W230-L234 PolarHBondContact O-N 3.21Å; L234-M236 VanDerWaalsContact C-N 3.33Å; L234-M236 PolarHBondContact O-N 2.95Å; L234-K237 PolarHBondContact O-N 3.46Å; L234-K238 WeakPolarHBondContact O-CB 3.44Å; L234-K238 PolarHBondContact O-N 3.49Å
235	S	94.2	Very high	93.2	Very high	64 Å²	64	33.9 Å²	33.9	45%	0.448	19%	0.191	S	C	.	.	H	α-helix	trans	-60.3	-42.8	175.4	-179.2	0	0	0	0	112	S231 G239	S231-S235 VanDerWaalsContact O-CB 3.3Å; S231-S235 WeakPolarHBondContact O-CB 3.45Å; S231-S235 PolarHBondContact O-N 3.45Å; S235-G239 PolarHBondContact O-N 3.12Å; S235-G239 VanDerWaalsContact O-N 3.11Å
236	M	94.2	Very high	93.7	Very high	22 Å²	22	34.7 Å²	34.7	11%	0.108	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-45.4	175.1	178.5	-78.7	-64.4	0	0	111.9	G232 V233 L234 G239 L240 V276 C281 F282	G232-M236 WeakPolarHBondContact O-CB 3.45Å; G232-M236 PolarHBondContact O-N 3.17Å; V233-M236 HydrophobicContact CG1-CE 4.35Å; V233-M236 PolarHBondContact O-N 3Å; L234-M236 VanDerWaalsContact C-N 3.33Å; L234-M236 PolarHBondContact O-N 2.95Å; M236-G239 PolarHBondContact O-N 2.77Å; M236-L240 WeakPolarHBondContact O-CB 3.44Å; M236-L240 PolarHBondContact O-N 3.17Å; M236-V276 HydrophobicContact CG-CG1 3.89Å; M236-V276 HydrophobicContact SD-CG1 4.38Å; M236-C281 HydrophobicContact CE-CB 4.37Å; M236-F282 HydrophobicContact CG-CB 4.32Å; M236-F282 HydrophobicContact CG-CD2 4.5Å; M236-F282 HydrophobicContact SD-CD2 4.11Å
237	K	95.3	Very high	94.2	Very high	9 Å²	9	35.2 Å²	35.2	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-44.7	178.3	-78	179.3	175.1	-78.2	0	111.8	N2 E184 Y211 V233 L234 G239 L240 Y241	N2-K237 WeakPolarHBondContact O-CE 3.13Å; N2-K237 PolarHBondContact O-NZ 3.06Å; E184-K237 VanDerWaalsContact CD-NZ 3.28Å; E184-K237 WeakPolarHBondContact OE1-CD 3.34Å; E184-K237 IonicContact OE1-NZ 3.61Å; E184-K237 PolarHBondContact OE1-NZ 2.77Å; E184-K237 IonicContact OE2-NZ 2.72Å; E184-K237 PolarHBondContact OE2-NZ 3.15Å; Y211-K237 HydrophobicContact CD1-CB 4.16Å; Y211-K237 HydrophobicContact CD1-CD 4.41Å; Y211-K237 HydrophobicContact CD2-CB 3.91Å; Y211-K237 HydrophobicContact CE1-CB 4.27Å; Y211-K237 HydrophobicContact CE1-CD 3.76Å; Y211-K237 HydrophobicContact CE2-CB 3.99Å; Y211-K237 HydrophobicContact CE2-CD 4.15Å; Y211-K237 HydrophobicContact CG-CB 4.02Å; V233-K237 HydrophobicContact CG1-CD 4.14Å; V233-K237 HydrophobicContact CG1-CG 4.43Å; V233-K237 WeakPolarHBondContact O-CB 3.32Å; V233-K237 WeakPolarHBondContact O-CG 3.49Å; V233-K237 PolarHBondContact O-N 3.1Å; L234-K237 PolarHBondContact O-N 3.46Å; K237-G239 PolarHBondContact O-N 3.28Å; K237-L240 PolarHBondContact O-N 3.01Å; K237-Y241 HydrophobicContact CB-CD2 4.45Å; K237-Y241 HydrophobicContact CB-CE2 4.36Å; K237-Y241 WeakPolarHBondContact O-CD2 3.38Å; K237-Y241 PolarHBondContact O-N 2.96Å
238	K	96.2	Very high	94.7	Very high	46 Å²	46	33.8 Å²	33.8	20%	0.2	18%	0.184	C	C	.	.	H	α-helix	trans	-51.7	-56.6	172.9	-179.7	-164.2	165.3	176.7	0	110.3	T208 E212 L234 L240 Y241 E242	T208-K238 HydrophobicContact CG2-CG 4.22Å; E212-K238 HydrophobicContact CB-CD 4.05Å; E212-K238 HydrophobicContact CB-CG 4.43Å; E212-K238 IonicContact OE1-NZ 3.7Å; E212-K238 PolarHBondContact OE1-NZ 3.26Å; L234-K238 WeakPolarHBondContact O-CB 3.44Å; L234-K238 PolarHBondContact O-N 3.49Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.16Å; K238-Y241 PolarHBondContact O-N 3Å; K238-E242 WeakPolarHBondContact O-CB 3.36Å; K238-E242 PolarHBondContact O-N 3.34Å
239	G	95.9	Very high	95.3	Very high	11 Å²	11	26.4 Å²	26.4	11%	0.113	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-34.8	-177.7	0	0	0	0	0	113.4	S235 M236 K237 A243	S235-G239 PolarHBondContact O-N 3.12Å; S235-G239 VanDerWaalsContact O-N 3.11Å; M236-G239 PolarHBondContact O-N 2.77Å; K237-G239 PolarHBondContact O-N 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.49Å; G239-A243 PolarHBondContact O-N 3.14Å
240	L	96.1	Very high	95.8	Very high	12 Å²	12	21.7 Å²	21.7	6%	0.063	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-49.5	174.1	170.3	57.7	0	0	0	111.3	M236 K237 K238 E242 A243 L244 I273 V276 F282 L287	M236-L240 WeakPolarHBondContact O-CB 3.44Å; M236-L240 PolarHBondContact O-N 3.17Å; K237-L240 PolarHBondContact O-N 3.01Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 3.16Å; L240-E242 VanDerWaalsContact C-N 3.33Å; L240-A243 PolarHBondContact O-N 3.46Å; L240-L244 HydrophobicContact CD1-CD1 3.88Å; L240-L244 HydrophobicContact CD1-CG 4.17Å; L240-L244 HydrophobicContact CG-CD1 4.06Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 2.97Å; L240-I273 HydrophobicContact CD1-CD1 3.77Å; L240-V276 HydrophobicContact CB-CG1 4.3Å; L240-F282 HydrophobicContact CD1-CE2 4.09Å; L240-L287 HydrophobicContact CD1-CD1 3.99Å
241	Y	97.2	Very high	96.1	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-73.3	-27.8	-178.3	-68.8	-62.9	0	0	0	112.6	E184 L187 L207 T208 Y211 K237 K238 L244 T245	E184-Y241 HydrophobicContact CG-CE2 3.92Å; E184-Y241 WeakPolarHBondContact CG-OH 3.45Å; E184-Y241 WeakPolarHBondContact OE1-CE2 3.38Å; E184-Y241 PolarHBondContact OE1-OH 3.16Å; E184-Y241 PolarHBondContact OE2-OH 3.22Å; L187-Y241 HydrophobicContact CD2-CD1 3.9Å; L187-Y241 HydrophobicContact CD2-CE1 3.72Å; L207-Y241 HydrophobicContact CB-CD1 4.06Å; L207-Y241 HydrophobicContact CB-CD2 4.05Å; L207-Y241 HydrophobicContact CB-CG 3.69Å; L207-Y241 HydrophobicContact CD1-CD1 3.62Å; L207-Y241 HydrophobicContact CD1-CE1 3.68Å; L207-Y241 HydrophobicContact CD1-CG 4.11Å; L207-Y241 HydrophobicContact CG-CD1 4.4Å; L207-Y241 HydrophobicContact CG-CG 4.41Å; T208-Y241 PolarHBondContact OG1-O 2.75Å; Y211-Y241 AromaticContact CD2-CD2 3.68Å; Y211-Y241 HydrophobicContact CD2-CD2 3.68Å; Y211-Y241 HydrophobicContact CD2-CE2 4.07Å; Y211-Y241 AromaticContact CE2-CD2 3.7Å; Y211-Y241 HydrophobicContact CE2-CD2 3.7Å; Y211-Y241 AromaticContact CE2-CE2 3.59Å; Y211-Y241 HydrophobicContact CE2-CE2 3.59Å; K237-Y241 HydrophobicContact CB-CD2 4.45Å; K237-Y241 HydrophobicContact CB-CE2 4.36Å; K237-Y241 WeakPolarHBondContact O-CD2 3.38Å; K237-Y241 PolarHBondContact O-N 2.96Å; K238-Y241 PolarHBondContact O-N 3Å; Y241-L244 HydrophobicContact CD1-CD1 3.81Å; Y241-L244 HydrophobicContact CE1-CD1 3.92Å; Y241-L244 PolarHBondContact O-N 2.67Å; Y241-T245 WeakPolarHBondContact O-CB 3.07Å; Y241-T245 PolarHBondContact O-N 3.47Å; Y241-T245 PolarHBondContact O-OG1 2.82Å
242	E	97.7	Very high	96.4	Very high	57 Å²	57	22.8 Å²	22.8	27%	0.266	13%	0.129	S	C	.	.	H	α-helix	trans	-63.6	-45.3	169.7	-164.5	179.4	171.9	0	0	110.7	T208 K238 L240 L244 T245 Q246 L272	T208-E242 HydrophobicContact CG2-CB 3.78Å; T208-E242 HydrophobicContact CG2-CG 4.1Å; T208-E242 WeakPolarHBondContact OG1-CA 3.39Å; T208-E242 PolarHBondContact OG1-N 3.11Å; T208-E242 VanDerWaalsContact OG1-N 3.12Å; K238-E242 WeakPolarHBondContact O-CB 3.36Å; K238-E242 PolarHBondContact O-N 3.34Å; L240-E242 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.41Å; E242-T245 WeakPolarHBondContact O-CB 3.49Å; E242-T245 PolarHBondContact O-N 2.93Å; E242-Q246 PolarHBondContact O-N 3.41Å; E242-L272 HydrophobicContact CB-CD1 4.31Å; E242-L272 HydrophobicContact CG-CD1 3.83Å
243	A	97.5	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-43.2	175.2	0	0	0	0	0	111.9	G239 L240 T245 Q246 Y247 A269 L272 I273 F291	G239-A243 WeakPolarHBondContact O-CB 3.49Å; G239-A243 PolarHBondContact O-N 3.14Å; L240-A243 PolarHBondContact O-N 3.46Å; A243-T245 VanDerWaalsContact C-N 3.33Å; A243-T245 PolarHBondContact O-N 3.46Å; A243-Q246 PolarHBondContact O-N 3.35Å; A243-Y247 VanDerWaalsContact O-CB 3.31Å; A243-Y247 WeakPolarHBondContact O-CB 3.44Å; A243-Y247 PolarHBondContact O-N 2.96Å; A243-A269 WeakPolarHBondContact O-CB 3.26Å; A243-L272 HydrophobicContact CB-CB 3.73Å; A243-L272 HydrophobicContact CB-CD1 4.48Å; A243-I273 HydrophobicContact CB-CB 4.11Å; A243-I273 HydrophobicContact CB-CD1 4.16Å; A243-F291 HydrophobicContact CB-CE2 4.18Å
244	L	97.4	Very high	96.8	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-34.2	176.9	-74.9	168.6	0	0	0	112.5	A204 L240 Y241 E242 Y247 H248 L287 F291	A204-L244 HydrophobicContact CB-CB 4.27Å; L240-L244 HydrophobicContact CD1-CD1 3.88Å; L240-L244 HydrophobicContact CD1-CG 4.17Å; L240-L244 HydrophobicContact CG-CD1 4.06Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 2.97Å; Y241-L244 HydrophobicContact CD1-CD1 3.81Å; Y241-L244 HydrophobicContact CE1-CD1 3.92Å; Y241-L244 PolarHBondContact O-N 2.67Å; E242-L244 PolarHBondContact O-N 3.41Å; L244-Y247 PolarHBondContact O-N 3.18Å; L244-H248 WeakPolarHBondContact O-CB 3.49Å; L244-H248 PolarHBondContact O-CD2 3.43Å; L244-H248 PolarHBondContact O-N 3.36Å; L244-L287 HydrophobicContact CD2-CD1 4.44Å; L244-F291 HydrophobicContact CD2-CZ 4.09Å
245	T	98.4	Very high	96.9	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-52	174.4	-61.4	0	0	0	0	110.4	A204 S205 Y241 E242 A243 Q249 V319	A204-T245 VanDerWaalsContact CB-OG1 3.29Å; A204-T245 WeakPolarHBondContact CB-OG1 3.41Å; A204-T245 PolarHBondContact O-OG1 3.38Å; S205-T245 WeakPolarHBondContact CA-OG1 3.48Å; S205-T245 PolarHBondContact N-OG1 2.94Å; Y241-T245 WeakPolarHBondContact O-CB 3.07Å; Y241-T245 PolarHBondContact O-N 3.47Å; Y241-T245 PolarHBondContact O-OG1 2.82Å; E242-T245 WeakPolarHBondContact O-CB 3.49Å; E242-T245 PolarHBondContact O-N 2.93Å; A243-T245 VanDerWaalsContact C-N 3.33Å; A243-T245 PolarHBondContact O-N 3.46Å; T245-Q249 VanDerWaalsContact O-CB 3.27Å; T245-Q249 WeakPolarHBondContact O-CB 3.43Å; T245-Q249 PolarHBondContact O-N 3.38Å; T245-V319 HydrophobicContact CG2-CB 3.66Å; T245-V319 HydrophobicContact CG2-CG1 3.92Å; T245-V319 HydrophobicContact CG2-CG2 3.77Å
246	Q	98.2	Very high	97	Very high	24 Å²	24	28.1 Å²	28.1	11%	0.112	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-38.7	179.2	-61.7	-58.1	-26.4	0	0	112	E242 A243 Q249 S250 F268 A269 L272	E242-Q246 PolarHBondContact O-N 3.41Å; A243-Q246 PolarHBondContact O-N 3.35Å; Q246-Q249 PolarHBondContact O-N 3.18Å; Q246-S250 WeakPolarHBondContact O-CB 3.49Å; Q246-S250 PolarHBondContact O-N 3.48Å; Q246-F268 HydrophobicContact CG-CD1 3.64Å; Q246-F268 HydrophobicContact CG-CE1 3.89Å; Q246-F268 HydrophobicContact CG-CG 4.44Å; Q246-A269 HydrophobicContact CB-CB 3.81Å; Q246-L272 HydrophobicContact CG-CD1 4.27Å
247	Y	98.2	Very high	97	Very high	24 Å²	24	34.2 Å²	34.2	9%	0.094	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-54.4	176.2	170.7	-100.1	0	0	0	112	A243 L244 Q249 S250 K251 I266 Q290 F291 E294	A243-Y247 VanDerWaalsContact O-CB 3.31Å; A243-Y247 WeakPolarHBondContact O-CB 3.44Å; A243-Y247 PolarHBondContact O-N 2.96Å; L244-Y247 PolarHBondContact O-N 3.18Å; Y247-Q249 VanDerWaalsContact C-N 3.29Å; Y247-Q249 PolarHBondContact O-N 3Å; Y247-S250 WeakPolarHBondContact O-CB 3.45Å; Y247-S250 PolarHBondContact O-N 3.44Å; Y247-S250 VanDerWaalsContact O-N 3.15Å; Y247-S250 PolarHBondContact O-OG 3.33Å; Y247-K251 PolarHBondContact O-N 3.48Å; Y247-I266 HydrophobicContact CD2-CD1 3.47Å; Y247-I266 VanDerWaalsContact CD2-CD1 3.47Å; Y247-I266 HydrophobicContact CE2-CD1 4.04Å; Y247-Q290 PolarHBondContact OH-NE2 2.7Å; Y247-Q290 VanDerWaalsContact OH-NE2 3.09Å; Y247-F291 AromaticContact CD1-CE1 3.91Å; Y247-F291 HydrophobicContact CD1-CE1 3.91Å; Y247-F291 HydrophobicContact CD1-CZ 4.01Å; Y247-F291 AromaticContact CD2-CD1 3.55Å; Y247-F291 HydrophobicContact CD2-CD1 3.55Å; Y247-F291 HydrophobicContact CD2-CD2 4.48Å; Y247-F291 AromaticContact CD2-CE1 3.23Å; Y247-F291 HydrophobicContact CD2-CE1 3.23Å; Y247-F291 HydrophobicContact CD2-CE2 4.24Å; Y247-F291 HydrophobicContact CD2-CG 4.19Å; Y247-F291 AromaticContact CD2-CZ 3.63Å; Y247-F291 HydrophobicContact CD2-CZ 3.63Å; Y247-F291 HydrophobicContact CE1-CE1 4.25Å; Y247-F291 AromaticContact CE2-CD1 3.81Å; Y247-F291 HydrophobicContact CE2-CD1 3.81Å; Y247-F291 AromaticContact CE2-CE1 3.65Å; Y247-F291 HydrophobicContact CE2-CE1 3.65Å; Y247-F291 HydrophobicContact CE2-CZ 4.45Å; Y247-F291 HydrophobicContact CG-CD1 4.18Å; Y247-F291 AromaticContact CG-CE1 3.4Å; Y247-F291 HydrophobicContact CG-CE1 3.4Å; Y247-F291 VanDerWaalsContact CG-CE1 3.4Å; Y247-F291 HydrophobicContact CG-CE2 4.13Å; Y247-F291 AromaticContact CG-CZ 3.38Å; Y247-F291 HydrophobicContact CG-CZ 3.38Å; Y247-E294 WeakPolarHBondContact CE2-OE2 3.41Å; Y247-E294 PolarHBondContact OH-OE1 3.34Å; Y247-E294 PolarHBondContact OH-OE2 2.62Å
248	H	98.2	Very high	97.1	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.06	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-33	-179.9	-73.4	-55.1	0	0	0	112	E191 P197 L200 A201 L244 K251 A252	E191-H248 IonicContact OE1-CE1 2.86Å; E191-H248 PolarHBondContact OE1-CE1 3.01Å; E191-H248 IonicContact OE1-NE2 2.76Å; E191-H248 PolarHBondContact OE1-NE2 3.42Å; P197-H248 WeakPolarHBondContact CB-O 3.35Å; L200-H248 HydrophobicContact CB-CB 3.98Å; A201-H248 HydrophobicContact CB-CB 3.86Å; L244-H248 WeakPolarHBondContact O-CB 3.49Å; L244-H248 PolarHBondContact O-CD2 3.43Å; L244-H248 PolarHBondContact O-N 3.36Å; H248-K251 WeakPolarHBondContact O-CB 3.23Å; H248-K251 PolarHBondContact O-N 2.99Å; H248-A252 PolarHBondContact O-N 3.45Å
249	Q	98.2	Very high	97.1	Very high	39 Å²	39	37.5 Å²	37.5	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-36.7	173.6	-171.9	63.1	27.7	0	0	111.9	A201 T245 Q246 Y247 K251 A252 C253 R265 V319	A201-Q249 HydrophobicContact CB-CB 3.98Å; T245-Q249 VanDerWaalsContact O-CB 3.27Å; T245-Q249 WeakPolarHBondContact O-CB 3.43Å; T245-Q249 PolarHBondContact O-N 3.38Å; Q246-Q249 PolarHBondContact O-N 3.18Å; Y247-Q249 VanDerWaalsContact C-N 3.29Å; Y247-Q249 PolarHBondContact O-N 3Å; Q249-K251 VanDerWaalsContact C-N 3.26Å; Q249-K251 PolarHBondContact O-N 3.06Å; Q249-A252 WeakPolarHBondContact O-CB 3.46Å; Q249-A252 PolarHBondContact O-N 3.08Å; Q249-A252 VanDerWaalsContact O-N 3.1Å; Q249-C253 PolarHBondContact O-N 3.14Å; Q249-C253 PolarHBondContact O-SG 3.27Å; Q249-C253 VanDerWaalsContact O-SG 3.38Å; Q249-R265 VanDerWaalsContact CG-CD 3.4Å; Q249-V319 HydrophobicContact CB-CG2 3.97Å; Q249-V319 HydrophobicContact CG-CG2 3.81Å
250	S	97.8	Very high	97.1	Very high	3 Å²	3	37 Å²	37	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-38.2	174	80	0	0	0	0	111.8	Q246 Y247 C253 C254 Q262	Q246-S250 WeakPolarHBondContact O-CB 3.49Å; Q246-S250 PolarHBondContact O-N 3.48Å; Y247-S250 WeakPolarHBondContact O-CB 3.45Å; Y247-S250 PolarHBondContact O-N 3.44Å; Y247-S250 VanDerWaalsContact O-N 3.15Å; Y247-S250 PolarHBondContact O-OG 3.33Å; S250-C253 PolarHBondContact O-N 3.28Å; S250-C254 PolarHBondContact O-N 3.03Å; S250-Q262 WeakPolarHBondContact O-CG 3.47Å
251	K	97.7	Very high	97.2	Very high	68 Å²	68	38.5 Å²	38.5	30%	0.296	19%	0.193	S	C	.	.	H	α-helix	trans	-65.6	-38.8	173.3	-67.8	-65.3	-174.9	-175.9	0	112.1	P197 Y247 H248 Q249 C254 E255 E294	P197-K251 HydrophobicContact CB-CB 3.61Å; P197-K251 HydrophobicContact CG-CB 3.9Å; Y247-K251 PolarHBondContact O-N 3.48Å; H248-K251 WeakPolarHBondContact O-CB 3.23Å; H248-K251 PolarHBondContact O-N 2.99Å; Q249-K251 VanDerWaalsContact C-N 3.26Å; Q249-K251 PolarHBondContact O-N 3.06Å; K251-C254 WeakPolarHBondContact O-CB 3.5Å; K251-C254 PolarHBondContact O-N 2.95Å; K251-E255 PolarHBondContact O-N 3.22Å; K251-E294 WeakPolarHBondContact CE-OE2 3.24Å; K251-E294 IonicContact NZ-OE2 2.69Å; K251-E294 PolarHBondContact NZ-OE2 3.34Å
252	A	97.3	Very high	97.2	Very high	16 Å²	16	39.4 Å²	39.4	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-41.4	174	0	0	0	0	0	112	P197 H248 Q249 C254 E255 A256	P197-A252 HydrophobicContact CB-CB 4.26Å; H248-A252 PolarHBondContact O-N 3.45Å; Q249-A252 WeakPolarHBondContact O-CB 3.46Å; Q249-A252 PolarHBondContact O-N 3.08Å; Q249-A252 VanDerWaalsContact O-N 3.1Å; A252-C254 VanDerWaalsContact C-N 3.33Å; A252-C254 PolarHBondContact O-N 3.27Å; A252-E255 PolarHBondContact O-N 2.96Å; A252-A256 WeakPolarHBondContact O-CB 3.37Å; A252-A256 PolarHBondContact O-N 3.47Å
253	C	96.7	Very high	97.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-39.8	173.7	-67.6	0	0	0	0	111.7	Q249 S250 A256 K257 Q258 Q262	Q249-C253 PolarHBondContact O-N 3.14Å; Q249-C253 PolarHBondContact O-SG 3.27Å; Q249-C253 VanDerWaalsContact O-SG 3.38Å; S250-C253 PolarHBondContact O-N 3.28Å; C253-A256 CarbonylContact O-C 3.57Å; C253-A256 PolarHBondContact O-N 2.72Å; C253-K257 PolarHBondContact O-N 3.05Å; C253-Q258 HydrophobicContact CB-CB 4.14Å; C253-Q258 PolarHBondContact O-N 3.05Å; C253-Q262 HydrophobicContact CB-CB 4.04Å
254	C	95.9	Very high	97.2	Very high	46 Å²	46	37.6 Å²	37.6	31%	0.311	19%	0.191	S	C	.	.	H	α-helix	trans	-59	-47.1	173.1	-171.3	0	0	0	0	111.8	S250 K251 A252 A256 K257 Q262	S250-C254 PolarHBondContact O-N 3.03Å; K251-C254 WeakPolarHBondContact O-CB 3.5Å; K251-C254 PolarHBondContact O-N 2.95Å; A252-C254 VanDerWaalsContact C-N 3.33Å; A252-C254 PolarHBondContact O-N 3.27Å; C254-A256 VanDerWaalsContact C-N 3.25Å; C254-A256 PolarHBondContact O-N 3.4Å; C254-K257 PolarHBondContact O-N 2.9Å; C254-K257 VanDerWaalsContact O-N 3.09Å; C254-Q262 VanDerWaalsContact CB-CD 3.48Å; C254-Q262 HydrophobicContact CB-CG 4.3Å; C254-Q262 PolarHBondContact SG-OE1 3.45Å
255	E	95.9	Very high	97.2	Very high	128 Å²	128	37.7 Å²	37.7	60%	0.598	19%	0.191	S	C	*	.	H	α-helix	trans	-62.5	-34.1	176.1	-72.3	-176.8	170.6	0	0	112.1	P197 K251 A252 K257	P197-E255 VanDerWaalsContact CD-OE1 3.26Å; P197-E255 WeakPolarHBondContact CD-OE1 3.48Å; P197-E255 WeakPolarHBondContact CD-OE2 3.43Å; P197-E255 WeakPolarHBondContact CG-OE1 3.38Å; K251-E255 PolarHBondContact O-N 3.22Å; A252-E255 PolarHBondContact O-N 2.96Å; E255-K257 VanDerWaalsContact C-N 3.28Å; E255-K257 PolarHBondContact O-N 3.1Å
256	A	96.2	Very high	97.2	Very high	61 Å²	61	37.5 Å²	37.5	50%	0.504	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.1	176.2	0	0	0	0	0	114.1	A252 C253 C254 Q258	A252-A256 WeakPolarHBondContact O-CB 3.37Å; A252-A256 PolarHBondContact O-N 3.47Å; C253-A256 CarbonylContact O-C 3.57Å; C253-A256 PolarHBondContact O-N 2.72Å; C254-A256 VanDerWaalsContact C-N 3.25Å; C254-A256 PolarHBondContact O-N 3.4Å; A256-Q258 VanDerWaalsContact C-N 3.31Å; A256-Q258 HydrophobicContact CB-CG 4.29Å; A256-Q258 PolarHBondContact O-N 2.82Å
257	K	95.8	Very high	97.2	Very high	149 Å²	149	37.7 Å²	37.7	65%	0.648	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	38.7	-175.9	-52	179.4	-179.3	179.8	0	113.7	C253 C254 E255 Y259	C253-K257 PolarHBondContact O-N 3.05Å; C254-K257 PolarHBondContact O-N 2.9Å; C254-K257 VanDerWaalsContact O-N 3.09Å; E255-K257 VanDerWaalsContact C-N 3.28Å; E255-K257 PolarHBondContact O-N 3.1Å; K257-Y259 HydrophobicContact CB-CE2 3.96Å
258	Q	96.3	Very high	97.1	Very high	87 Å²	87	38.6 Å²	38.6	41%	0.407	20%	0.198	S	C	.	.			trans	-105.4	72.2	173.1	-64.2	174.9	-41.3	0	0	108.8	C253 A256 G260 E261 Q262	C253-Q258 HydrophobicContact CB-CB 4.14Å; C253-Q258 PolarHBondContact O-N 3.05Å; A256-Q258 VanDerWaalsContact C-N 3.31Å; A256-Q258 HydrophobicContact CB-CG 4.29Å; A256-Q258 PolarHBondContact O-N 2.82Å; Q258-G260 PolarHBondContact O-N 2.86Å; Q258-E261 HydrophobicContact CB-CB 4.36Å; Q258-E261 PolarHBondContact O-N 3.45Å; Q258-Q262 WeakPolarHBondContact O-CB 3.38Å; Q258-Q262 PolarHBondContact O-N 3.05Å
259	Y	96.9	Very high	97.1	Very high	37 Å²	37	38 Å²	38	15%	0.145	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-33.2	-170.5	-57.1	-69.6	0	0	0	112.9	K257 Q262 V263 Y306 E308	K257-Y259 HydrophobicContact CB-CE2 3.96Å; Y259-Q262 WeakPolarHBondContact O-CB 3.42Å; Y259-Q262 PolarHBondContact O-N 3.47Å; Y259-V263 WeakPolarHBondContact O-CG2 3.48Å; Y259-V263 PolarHBondContact O-N 2.96Å; Y259-Y306 AromaticContact CD1-CD2 3.7Å; Y259-Y306 HydrophobicContact CD1-CD2 3.7Å; Y259-Y306 AromaticContact CD1-CE2 3.58Å; Y259-Y306 HydrophobicContact CD1-CE2 3.58Å; Y259-Y306 HydrophobicContact CD1-CG 4.25Å; Y259-Y306 AromaticContact CD2-CD1 3.53Å; Y259-Y306 HydrophobicContact CD2-CD1 3.53Å; Y259-Y306 AromaticContact CD2-CD2 3.71Å; Y259-Y306 HydrophobicContact CD2-CD2 3.71Å; Y259-Y306 AromaticContact CD2-CE1 3.99Å; Y259-Y306 HydrophobicContact CD2-CE1 3.99Å; Y259-Y306 HydrophobicContact CD2-CE2 4.14Å; Y259-Y306 AromaticContact CD2-CG 3.38Å; Y259-Y306 HydrophobicContact CD2-CG 3.38Å; Y259-Y306 HydrophobicContact CE1-CD2 4.13Å; Y259-Y306 HydrophobicContact CE1-CE1 4.11Å; Y259-Y306 AromaticContact CE1-CE2 3.61Å; Y259-Y306 HydrophobicContact CE1-CE2 3.61Å; Y259-Y306 AromaticContact CE1-CZ 3.6Å; Y259-Y306 AromaticContact CE2-CD1 3.39Å; Y259-Y306 HydrophobicContact CE2-CD1 3.39Å; Y259-Y306 HydrophobicContact CE2-CD2 4.13Å; Y259-Y306 AromaticContact CE2-CE1 3.44Å; Y259-Y306 HydrophobicContact CE2-CE1 3.44Å; Y259-Y306 VanDerWaalsContact CE2-CE1 3.44Å; Y259-Y306 HydrophobicContact CE2-CE2 4.16Å; Y259-Y306 AromaticContact CE2-CG 3.75Å; Y259-Y306 HydrophobicContact CE2-CG 3.75Å; Y259-Y306 AromaticContact CE2-CZ 3.83Å; Y259-Y306 HydrophobicContact CG-CD1 4.18Å; Y259-Y306 AromaticContact CG-CD2 3.46Å; Y259-Y306 HydrophobicContact CG-CD2 3.46Å; Y259-Y306 VanDerWaalsContact CG-CD2 3.46Å; Y259-Y306 AromaticContact CG-CE2 3.84Å; Y259-Y306 HydrophobicContact CG-CE2 3.84Å; Y259-Y306 AromaticContact CG-CG 3.65Å; Y259-Y306 HydrophobicContact CG-CG 3.65Å; Y259-Y306 AromaticContact CZ-CD1 3.94Å; Y259-Y306 AromaticContact CZ-CE1 3.49Å; Y259-Y306 VanDerWaalsContact CZ-CE1 3.49Å; Y259-Y306 AromaticContact CZ-CE2 3.9Å; Y259-Y306 AromaticContact CZ-CZ 3.46Å; Y259-Y306 VanDerWaalsContact CZ-CZ 3.46Å; Y259-E308 WeakPolarHBondContact CD2-OE1 3.42Å; Y259-E308 PolarHBondContact N-OE2 3.38Å
260	G	96.2	Very high	97	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-47.4	175.2	0	0	0	0	0	111.8	Q258 V263 A264 E308 P311	Q258-G260 PolarHBondContact O-N 2.86Å; G260-V263 PolarHBondContact O-N 3.46Å; G260-A264 PolarHBondContact O-N 3.09Å; G260-E308 PolarHBondContact N-OE2 3.31Å; G260-P311 VanDerWaalsContact C-CD 3.48Å; G260-P311 VanDerWaalsContact O-CD 3.29Å; G260-P311 WeakPolarHBondContact O-CD 3.07Å
261	E	96.6	Very high	97	Very high	44 Å²	44	42.5 Å²	42.5	21%	0.206	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-37.2	177	-171.7	174.9	164.3	0	0	112.1	Q258 V263 A264 R265 P311 L316	Q258-E261 HydrophobicContact CB-CB 4.36Å; Q258-E261 PolarHBondContact O-N 3.45Å; E261-V263 VanDerWaalsContact C-N 3.34Å; E261-V263 PolarHBondContact O-N 2.82Å; E261-A264 PolarHBondContact O-N 2.96Å; E261-R265 HydrophobicContact CG-CG 4.29Å; E261-R265 WeakPolarHBondContact O-CG 3.49Å; E261-R265 PolarHBondContact O-N 3.28Å; E261-R265 IonicContact OE1-CZ 3.58Å; E261-R265 IonicContact OE1-NE 3.82Å; E261-R265 PolarHBondContact OE1-NE 2.75Å; E261-R265 IonicContact OE1-NH2 2.73Å; E261-R265 PolarHBondContact OE1-NH2 3.34Å; E261-P311 HydrophobicContact CB-CG 4.31Å; E261-L316 HydrophobicContact CG-CD2 3.85Å
262	Q	97.7	Very high	96.9	Very high	22 Å²	22	40.8 Å²	40.8	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-53.7	-51.7	172.9	171.6	-175	1.1	0	0	110.9	S250 C253 C254 Q258 Y259 A264 R265 I266 A298	S250-Q262 WeakPolarHBondContact O-CG 3.47Å; C253-Q262 HydrophobicContact CB-CB 4.04Å; C254-Q262 VanDerWaalsContact CB-CD 3.48Å; C254-Q262 HydrophobicContact CB-CG 4.3Å; C254-Q262 PolarHBondContact SG-OE1 3.45Å; Q258-Q262 WeakPolarHBondContact O-CB 3.38Å; Q258-Q262 PolarHBondContact O-N 3.05Å; Y259-Q262 WeakPolarHBondContact O-CB 3.42Å; Y259-Q262 PolarHBondContact O-N 3.47Å; Q262-A264 PolarHBondContact O-N 3.32Å; Q262-R265 PolarHBondContact O-N 3.26Å; Q262-I266 VanDerWaalsContact O-CG2 3.3Å; Q262-I266 WeakPolarHBondContact O-CG2 3.45Å; Q262-I266 PolarHBondContact O-N 3Å; Q262-A298 HydrophobicContact CG-CB 4.37Å
263	V	97.9	Very high	96.8	Very high	10 Å²	10	40 Å²	40	6%	0.061	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-48.9	178.6	171.2	0	0	0	0	110.6	Y259 G260 E261 R265 I266 S267 A298 V299 N302 V310	Y259-V263 WeakPolarHBondContact O-CG2 3.48Å; Y259-V263 PolarHBondContact O-N 2.96Å; G260-V263 PolarHBondContact O-N 3.46Å; E261-V263 VanDerWaalsContact C-N 3.34Å; E261-V263 PolarHBondContact O-N 2.82Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.05Å; V263-I266 WeakPolarHBondContact O-CG2 3.31Å; V263-I266 PolarHBondContact O-N 2.87Å; V263-S267 WeakPolarHBondContact O-CB 3.33Å; V263-S267 PolarHBondContact O-N 3.34Å; V263-S267 PolarHBondContact O-OG 3.07Å; V263-S267 VanDerWaalsContact O-OG 3.08Å; V263-A298 HydrophobicContact CG2-CB 4.12Å; V263-A298 WeakPolarHBondContact CG2-O 3.48Å; V263-V299 HydrophobicContact CG1-CG2 3.76Å; V263-N302 HydrophobicContact CG2-CB 3.85Å; V263-V310 HydrophobicContact CB-CG1 4.4Å; V263-V310 HydrophobicContact CB-CG2 4.07Å; V263-V310 HydrophobicContact CG1-CG1 4.09Å; V263-V310 HydrophobicContact CG1-CG2 3.86Å
264	A	97.9	Very high	96.7	Very high	8 Å²	8	44.4 Å²	44.4	7%	0.066	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-43	179.3	0	0	0	0	0	112.6	G260 E261 Q262 F268 V310 P311 L316	G260-A264 PolarHBondContact O-N 3.09Å; E261-A264 PolarHBondContact O-N 2.96Å; Q262-A264 PolarHBondContact O-N 3.32Å; A264-F268 WeakPolarHBondContact O-CB 3.34Å; A264-F268 PolarHBondContact O-N 3.41Å; A264-F268 VanDerWaalsContact O-N 3.15Å; A264-V310 HydrophobicContact CB-CG1 3.77Å; A264-P311 HydrophobicContact CB-CG 3.94Å; A264-P311 WeakPolarHBondContact CB-O 3.4Å; A264-L316 HydrophobicContact CB-CD1 4.3Å; A264-L316 HydrophobicContact CB-CD2 3.95Å
265	R	98.1	Very high	96.6	Very high	4 Å²	4	44 Å²	44	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-73.5	-42.3	-178.7	-70.9	-172.8	-178.5	-80.5	3.2	113.2	Q249 E261 Q262 V263 F268 A269 L316 A317	Q249-R265 VanDerWaalsContact CG-CD 3.4Å; E261-R265 HydrophobicContact CG-CG 4.29Å; E261-R265 WeakPolarHBondContact O-CG 3.49Å; E261-R265 PolarHBondContact O-N 3.28Å; E261-R265 IonicContact OE1-CZ 3.58Å; E261-R265 IonicContact OE1-NE 3.82Å; E261-R265 PolarHBondContact OE1-NE 2.75Å; E261-R265 IonicContact OE1-NH2 2.73Å; E261-R265 PolarHBondContact OE1-NH2 3.34Å; Q262-R265 PolarHBondContact O-N 3.26Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.05Å; R265-F268 PolarHBondContact O-N 3.07Å; R265-A269 WeakPolarHBondContact O-CB 3.27Å; R265-A269 PolarHBondContact O-N 3.05Å; R265-L316 HydrophobicContact CG-CD1 4.11Å; R265-L316 HydrophobicContact CG-CD2 4.21Å; R265-A317 PolarHBondContact NH1-O 3.4Å; R265-A317 PolarHBondContact NH2-O 3.45Å
266	I	98	Very high	96.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-38.1	179.7	-169.4	64.3	0	0	0	111.6	Y247 Q262 V263 F268 A269 Y270 E295 A298	Y247-I266 HydrophobicContact CD2-CD1 3.47Å; Y247-I266 VanDerWaalsContact CD2-CD1 3.47Å; Y247-I266 HydrophobicContact CE2-CD1 4.04Å; Q262-I266 VanDerWaalsContact O-CG2 3.3Å; Q262-I266 WeakPolarHBondContact O-CG2 3.45Å; Q262-I266 PolarHBondContact O-N 3Å; V263-I266 WeakPolarHBondContact O-CG2 3.31Å; V263-I266 PolarHBondContact O-N 2.87Å; I266-F268 VanDerWaalsContact C-N 3.31Å; I266-F268 PolarHBondContact O-N 3.5Å; I266-A269 WeakPolarHBondContact O-CB 3.49Å; I266-A269 PolarHBondContact O-N 3.29Å; I266-Y270 WeakPolarHBondContact O-CB 3.48Å; I266-Y270 PolarHBondContact O-N 3.32Å; I266-E295 HydrophobicContact CG1-CB 3.93Å; I266-E295 HydrophobicContact CG1-CG 4.47Å; I266-E295 HydrophobicContact CG2-CB 4.24Å; I266-E295 HydrophobicContact CG2-CG 4.07Å; I266-A298 HydrophobicContact CG2-CB 4.08Å
267	S	97.2	Very high	96.4	Very high	27 Å²	27	37.5 Å²	37.5	19%	0.189	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-37.7	172.9	-57.5	0	0	0	0	111.5	V263 Y270 E271 E295	V263-S267 WeakPolarHBondContact O-CB 3.33Å; V263-S267 PolarHBondContact O-N 3.34Å; V263-S267 PolarHBondContact O-OG 3.07Å; V263-S267 VanDerWaalsContact O-OG 3.08Å; S267-Y270 PolarHBondContact O-N 2.97Å; S267-E271 PolarHBondContact O-N 3.47Å; S267-E271 VanDerWaalsContact O-N 3.12Å; S267-E295 WeakPolarHBondContact OG-CG 3.46Å; S267-E295 PolarHBondContact OG-OE1 3.13Å
268	F	97.1	Very high	96.1	Very high	43 Å²	43	40.7 Å²	40.7	19%	0.189	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-45	173.3	-176.8	-150.9	0	0	0	112.3	Q246 A264 R265 I266 Y270 E271 L272	Q246-F268 HydrophobicContact CG-CD1 3.64Å; Q246-F268 HydrophobicContact CG-CE1 3.89Å; Q246-F268 HydrophobicContact CG-CG 4.44Å; A264-F268 WeakPolarHBondContact O-CB 3.34Å; A264-F268 PolarHBondContact O-N 3.41Å; A264-F268 VanDerWaalsContact O-N 3.15Å; R265-F268 PolarHBondContact O-N 3.07Å; I266-F268 VanDerWaalsContact C-N 3.31Å; I266-F268 PolarHBondContact O-N 3.5Å; F268-Y270 VanDerWaalsContact C-N 3.27Å; F268-Y270 PolarHBondContact O-N 3.28Å; F268-E271 PolarHBondContact O-N 2.88Å; F268-L272 HydrophobicContact CD1-CD1 4.48Å; F268-L272 HydrophobicContact CD2-CD1 4.06Å; F268-L272 HydrophobicContact CD2-CG 3.95Å; F268-L272 HydrophobicContact CE1-CD1 4.14Å; F268-L272 HydrophobicContact CE2-CD1 3.68Å; F268-L272 HydrophobicContact CE2-CD2 3.76Å; F268-L272 HydrophobicContact CE2-CG 3.58Å; F268-L272 HydrophobicContact CG-CD1 4.43Å; F268-L272 HydrophobicContact CZ-CD1 3.72Å; F268-L272 HydrophobicContact CZ-CD2 4.17Å; F268-L272 HydrophobicContact CZ-CG 4.1Å; F268-L272 WeakPolarHBondContact O-CG 3.5Å; F268-L272 PolarHBondContact O-N 3.4Å
269	A	97.6	Very high	95.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.5	-41.9	174.9	0	0	0	0	0	112	A243 Q246 R265 I266 L272 I273 F291	A243-A269 WeakPolarHBondContact O-CB 3.26Å; Q246-A269 HydrophobicContact CB-CB 3.81Å; R265-A269 WeakPolarHBondContact O-CB 3.27Å; R265-A269 PolarHBondContact O-N 3.05Å; I266-A269 WeakPolarHBondContact O-CB 3.49Å; I266-A269 PolarHBondContact O-N 3.29Å; A269-L272 PolarHBondContact O-N 3.33Å; A269-I273 PolarHBondContact O-N 3.4Å; A269-F291 HydrophobicContact CB-CD2 3.98Å; A269-F291 HydrophobicContact CB-CE2 3.95Å
270	Y	97.2	Very high	95	Very high	43 Å²	43	42.9 Å²	42.9	17%	0.169	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-38.7	178.3	177.2	-130	0	0	0	112.8	I266 S267 F268 I273 K274 V288 F291 K292	I266-Y270 WeakPolarHBondContact O-CB 3.48Å; I266-Y270 PolarHBondContact O-N 3.32Å; S267-Y270 PolarHBondContact O-N 2.97Å; F268-Y270 VanDerWaalsContact C-N 3.27Å; F268-Y270 PolarHBondContact O-N 3.28Å; Y270-I273 HydrophobicContact CD2-CG2 4.2Å; Y270-I273 WeakPolarHBondContact O-CG2 3.25Å; Y270-K274 HydrophobicContact CD1-CD 4.29Å; Y270-K274 HydrophobicContact CD2-CD 4.18Å; Y270-K274 HydrophobicContact CD2-CG 4.16Å; Y270-K274 HydrophobicContact CE1-CD 3.78Å; Y270-K274 HydrophobicContact CE2-CD 3.62Å; Y270-K274 HydrophobicContact CE2-CG 3.71Å; Y270-K274 HydrophobicContact CG-CD 4.47Å; Y270-K274 VanDerWaalsContact CZ-CD 3.42Å; Y270-K274 WeakPolarHBondContact O-CB 3.38Å; Y270-K274 WeakPolarHBondContact O-CG 3.44Å; Y270-K274 PolarHBondContact O-N 2.9Å; Y270-K274 VanDerWaalsContact O-N 3.1Å; Y270-V288 HydrophobicContact CE2-CG1 4.16Å; Y270-F291 HydrophobicContact CD2-CB 4.12Å; Y270-K292 HydrophobicContact CD2-CB 4.07Å; Y270-K292 HydrophobicContact CE1-CB 4.44Å; Y270-K292 HydrophobicContact CE1-CG 4.24Å; Y270-K292 HydrophobicContact CE2-CB 3.51Å; Y270-K292 HydrophobicContact CE2-CD 4.5Å; Y270-K292 HydrophobicContact CE2-CG 4.04Å; Y270-K292 WeakPolarHBondContact OH-CD 3.33Å; Y270-K292 WeakPolarHBondContact OH-CG 3.47Å
271	E	96.2	Very high	94.3	Very high	94 Å²	94	44.7 Å²	44.7	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-65.5	-43.8	174	-77.7	-169.1	-170.3	0	0	112.9	S267 F268 K274 G275 R313	S267-E271 PolarHBondContact O-N 3.47Å; S267-E271 VanDerWaalsContact O-N 3.12Å; F268-E271 PolarHBondContact O-N 2.88Å; E271-K274 PolarHBondContact O-N 3Å; E271-G275 PolarHBondContact O-N 3.45Å; E271-G275 VanDerWaalsContact O-N 3.15Å; E271-R313 IonicContact OE1-CZ 3.69Å; E271-R313 IonicContact OE1-NH1 3.87Å; E271-R313 IonicContact OE1-NH2 2.9Å; E271-R313 PolarHBondContact OE1-NH2 3.42Å; E271-R313 IonicContact OE2-CZ 3.09Å; E271-R313 IonicContact OE2-NH1 2.65Å; E271-R313 PolarHBondContact OE2-NH1 3.46Å; E271-R313 IonicContact OE2-NH2 2.71Å; E271-R313 PolarHBondContact OE2-NH2 2.89Å
272	L	96.1	Very high	93.8	Very high	33 Å²	33	42.9 Å²	42.9	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-51.2	176.8	-70.4	171.1	0	0	0	110.8	E242 A243 Q246 F268 A269 K274 G275 V276	E242-L272 HydrophobicContact CB-CD1 4.31Å; E242-L272 HydrophobicContact CG-CD1 3.83Å; A243-L272 HydrophobicContact CB-CB 3.73Å; A243-L272 HydrophobicContact CB-CD1 4.48Å; Q246-L272 HydrophobicContact CG-CD1 4.27Å; F268-L272 HydrophobicContact CD1-CD1 4.48Å; F268-L272 HydrophobicContact CD2-CD1 4.06Å; F268-L272 HydrophobicContact CD2-CG 3.95Å; F268-L272 HydrophobicContact CE1-CD1 4.14Å; F268-L272 HydrophobicContact CE2-CD1 3.68Å; F268-L272 HydrophobicContact CE2-CD2 3.76Å; F268-L272 HydrophobicContact CE2-CG 3.58Å; F268-L272 HydrophobicContact CG-CD1 4.43Å; F268-L272 HydrophobicContact CZ-CD1 3.72Å; F268-L272 HydrophobicContact CZ-CD2 4.17Å; F268-L272 HydrophobicContact CZ-CG 4.1Å; F268-L272 WeakPolarHBondContact O-CG 3.5Å; F268-L272 PolarHBondContact O-N 3.4Å; A269-L272 PolarHBondContact O-N 3.33Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 3.21Å; L272-G275 WeakPolarHBondContact O-CA 3.49Å; L272-G275 PolarHBondContact O-N 3.39Å; L272-V276 WeakPolarHBondContact O-CG2 3.48Å; L272-V276 PolarHBondContact O-N 2.78Å
273	I	96.2	Very high	92.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-32.9	-177.1	-158.3	65.8	0	0	0	112.1	L240 A243 A269 Y270 G275 V276 A277 F282 L287 V288 F291	L240-I273 HydrophobicContact CD1-CD1 3.77Å; A243-I273 HydrophobicContact CB-CB 4.11Å; A243-I273 HydrophobicContact CB-CD1 4.16Å; A269-I273 PolarHBondContact O-N 3.4Å; Y270-I273 HydrophobicContact CD2-CG2 4.2Å; Y270-I273 WeakPolarHBondContact O-CG2 3.25Å; I273-G275 VanDerWaalsContact C-N 3.34Å; I273-V276 PolarHBondContact O-N 3.45Å; I273-A277 VanDerWaalsContact O-CB 3.29Å; I273-A277 WeakPolarHBondContact O-CB 3.1Å; I273-A277 PolarHBondContact O-N 3.23Å; I273-F282 HydrophobicContact CD1-CE2 3.97Å; I273-F282 HydrophobicContact CD1-CZ 3.77Å; I273-F282 HydrophobicContact CG1-CZ 4.2Å; I273-L287 HydrophobicContact CG1-CB 4.29Å; I273-V288 HydrophobicContact CG1-CG2 4.11Å; I273-V288 HydrophobicContact CG2-CG2 4.36Å; I273-F291 HydrophobicContact CB-CD2 3.95Å; I273-F291 HydrophobicContact CB-CE2 4.16Å; I273-F291 HydrophobicContact CG1-CD2 4.46Å; I273-F291 HydrophobicContact CG1-CE2 4.47Å; I273-F291 HydrophobicContact CG2-CB 4.21Å; I273-F291 HydrophobicContact CG2-CD2 3.61Å; I273-F291 HydrophobicContact CG2-CE2 4.32Å; I273-F291 HydrophobicContact CG2-CG 4.19Å
274	K	94.8	Very high	92.3	Very high	92 Å²	92	50 Å²	50	40%	0.4	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-40.1	171.9	-85.2	175.4	51.1	-178.3	0	112.5	Y270 E271 L272 V288	Y270-K274 HydrophobicContact CD1-CD 4.29Å; Y270-K274 HydrophobicContact CD2-CD 4.18Å; Y270-K274 HydrophobicContact CD2-CG 4.16Å; Y270-K274 HydrophobicContact CE1-CD 3.78Å; Y270-K274 HydrophobicContact CE2-CD 3.62Å; Y270-K274 HydrophobicContact CE2-CG 3.71Å; Y270-K274 HydrophobicContact CG-CD 4.47Å; Y270-K274 VanDerWaalsContact CZ-CD 3.42Å; Y270-K274 WeakPolarHBondContact O-CB 3.38Å; Y270-K274 WeakPolarHBondContact O-CG 3.44Å; Y270-K274 PolarHBondContact O-N 2.9Å; Y270-K274 VanDerWaalsContact O-N 3.1Å; E271-K274 PolarHBondContact O-N 3Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 3.21Å; K274-V288 HydrophobicContact CG-CG1 4.22Å
275	G	93.3	Very high	91.6	Very high	37 Å²	37	57 Å²	57	38%	0.381	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-49.6	175.1	0	0	0	0	0	111.3	E271 L272 I273 A277 R278	E271-G275 PolarHBondContact O-N 3.45Å; E271-G275 VanDerWaalsContact O-N 3.15Å; L272-G275 WeakPolarHBondContact O-CA 3.49Å; L272-G275 PolarHBondContact O-N 3.39Å; I273-G275 VanDerWaalsContact C-N 3.34Å; G275-A277 VanDerWaalsContact C-N 3.29Å; G275-A277 PolarHBondContact O-N 2.97Å; G275-R278 WeakPolarHBondContact O-CB 3.39Å; G275-R278 PolarHBondContact O-N 3.45Å
276	V	93.8	Very high	91.3	Very high	16 Å²	16	61.9 Å²	61.9	10%	0.097	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-37.6	179.9	178.7	0	0	0	0	111.9	M236 L240 L272 I273 R278 S279 F282	M236-V276 HydrophobicContact CG-CG1 3.89Å; M236-V276 HydrophobicContact SD-CG1 4.38Å; L240-V276 HydrophobicContact CB-CG1 4.3Å; L272-V276 WeakPolarHBondContact O-CG2 3.48Å; L272-V276 PolarHBondContact O-N 2.78Å; I273-V276 PolarHBondContact O-N 3.45Å; V276-R278 PolarHBondContact O-N 3.28Å; V276-R278 VanDerWaalsContact O-N 3.09Å; V276-S279 VanDerWaalsContact O-CB 3.3Å; V276-S279 WeakPolarHBondContact O-CB 3.41Å; V276-S279 PolarHBondContact O-N 3.17Å; V276-F282 HydrophobicContact CG1-CD2 3.64Å; V276-F282 HydrophobicContact CG1-CE2 3.96Å; V276-F282 HydrophobicContact CG1-CG 4.3Å
277	A	92.7	Very high	91.1	Very high	36 Å²	36	62 Å²	62	30%	0.298	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.3	-178.6	0	0	0	0	0	115	I273 G275 S279 F282 V288	I273-A277 VanDerWaalsContact O-CB 3.29Å; I273-A277 WeakPolarHBondContact O-CB 3.1Å; I273-A277 PolarHBondContact O-N 3.23Å; G275-A277 VanDerWaalsContact C-N 3.29Å; G275-A277 PolarHBondContact O-N 2.97Å; A277-S279 VanDerWaalsContact C-N 3.27Å; A277-F282 HydrophobicContact CB-CD1 3.86Å; A277-F282 HydrophobicContact CB-CE1 3.9Å; A277-V288 HydrophobicContact CB-CG2 3.66Å
278	R	90.2	Very high	91	Very high	216 Å²	216	62.1 Å²	62.1	82%	0.815	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.3	171.9	-60.7	178.5	-175.4	157.8	0.3	112.7	G275 V276	G275-R278 WeakPolarHBondContact O-CB 3.39Å; G275-R278 PolarHBondContact O-N 3.45Å; V276-R278 PolarHBondContact O-N 3.28Å; V276-R278 VanDerWaalsContact O-N 3.09Å
279	S	87.2	Confident	90.9	Very high	40 Å²	40	65.2 Å²	65.2	28%	0.28	33%	0.333	S	S	.	.	S	Bend	trans	-71.6	134.8	178.8	-174.5	0	0	0	0	111.4	V276 A277 C281 F282	V276-S279 VanDerWaalsContact O-CB 3.3Å; V276-S279 WeakPolarHBondContact O-CB 3.41Å; V276-S279 PolarHBondContact O-N 3.17Å; A277-S279 VanDerWaalsContact C-N 3.27Å; S279-C281 PolarHBondContact O-N 3.36Å; S279-C281 PolarHBondContact OG-SG 3.46Å; S279-F282 WeakPolarHBondContact O-CB 3.32Å; S279-F282 PolarHBondContact O-N 2.94Å; S279-F282 VanDerWaalsContact O-N 3.14Å
280	S	84.2	Confident	90.8	Very high	130 Å²	130	68.3 Å²	68.3	91%	0.909	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.3	178.8	56.1	0	0	0	0	113.2
281	C	80.4	Confident	90.8	Very high	39 Å²	39	66.2 Å²	66.2	26%	0.264	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.6	178	62.1	0	0	0	0	114	V233 M236 S279 Q283	V233-C281 HydrophobicContact CG2-CB 4.41Å; M236-C281 HydrophobicContact CE-CB 4.37Å; S279-C281 PolarHBondContact O-N 3.36Å; S279-C281 PolarHBondContact OG-SG 3.46Å; C281-Q283 PolarHBondContact O-N 2.93Å
282	F	86.1	Confident	90.9	Very high	7 Å²	7	66 Å²	66	3%	0.031	34%	0.337	C	S	.	.			trans	-78.5	111.2	179.2	-176.7	-110.2	0	0	0	112.5	M236 L240 I273 V276 A277 S279 R284 K285 V288	M236-F282 HydrophobicContact CG-CB 4.32Å; M236-F282 HydrophobicContact CG-CD2 4.5Å; M236-F282 HydrophobicContact SD-CD2 4.11Å; L240-F282 HydrophobicContact CD1-CE2 4.09Å; I273-F282 HydrophobicContact CD1-CE2 3.97Å; I273-F282 HydrophobicContact CD1-CZ 3.77Å; I273-F282 HydrophobicContact CG1-CZ 4.2Å; V276-F282 HydrophobicContact CG1-CD2 3.64Å; V276-F282 HydrophobicContact CG1-CE2 3.96Å; V276-F282 HydrophobicContact CG1-CG 4.3Å; A277-F282 HydrophobicContact CB-CD1 3.86Å; A277-F282 HydrophobicContact CB-CE1 3.9Å; S279-F282 WeakPolarHBondContact O-CB 3.32Å; S279-F282 PolarHBondContact O-N 2.94Å; S279-F282 VanDerWaalsContact O-N 3.14Å; F282-R284 VanDerWaalsContact CE1-C 3.49Å; F282-R284 WeakPolarHBondContact CE1-O 3.49Å; F282-R284 HydrophobicContact CE2-CB 4.12Å; F282-R284 HydrophobicContact CZ-CB 3.97Å; F282-R284 WeakPolarHBondContact CZ-O 3.42Å; F282-K285 HydrophobicContact CD1-CG 4.32Å; F282-V288 HydrophobicContact CE1-CG2 4.14Å
283	Q	79.4	Confident	90.9	Very high	112 Å²	112	70.7 Å²	70.7	52%	0.523	36%	0.358	S	S	.	.			trans	-96.4	-21.6	-175.5	-66.3	178.3	-13.2	0	0	114.7	N2 C281 K285	N2-Q283 PolarHBondContact ND2-NE2 2.92Å; N2-Q283 PolarHBondContact OD1-NE2 3.43Å; N2-Q283 PolarHBondContact OD1-OE1 3.47Å; C281-Q283 PolarHBondContact O-N 2.93Å; Q283-K285 VanDerWaalsContact C-N 3.29Å; Q283-K285 PolarHBondContact O-N 2.86Å; Q283-K285 VanDerWaalsContact O-N 3.11Å
284	R	85.1	Confident	91	Very high	68 Å²	68	72.8 Å²	72.8	26%	0.257	37%	0.368	S	S	.	.			trans	-89.8	51.4	-173.4	-63.4	-177.1	75.1	173.4	1.3	112.5	F282 N286 L287	F282-R284 VanDerWaalsContact CE1-C 3.49Å; F282-R284 WeakPolarHBondContact CE1-O 3.49Å; F282-R284 HydrophobicContact CE2-CB 4.12Å; F282-R284 HydrophobicContact CZ-CB 3.97Å; F282-R284 WeakPolarHBondContact CZ-O 3.42Å; R284-N286 PolarHBondContact O-N 2.88Å; R284-N286 VanDerWaalsContact O-N 3.1Å; R284-N286 PolarHBondContact O-OD1 3.34Å; R284-L287 HydrophobicContact CB-CD1 3.78Å; R284-L287 HydrophobicContact CB-CG 4.02Å; R284-L287 HydrophobicContact CG-CD1 4.47Å; R284-L287 WeakPolarHBondContact O-CB 3.47Å; R284-L287 PolarHBondContact O-N 3.42Å
285	K	83.3	Confident	91.1	Very high	157 Å²	157	70.4 Å²	70.4	68%	0.683	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29	-174.4	-66.1	-173.6	179.5	-179.1	0	113.9	F282 Q283 L287 V288	F282-K285 HydrophobicContact CD1-CG 4.32Å; Q283-K285 VanDerWaalsContact C-N 3.29Å; Q283-K285 PolarHBondContact O-N 2.86Å; Q283-K285 VanDerWaalsContact O-N 3.11Å; K285-L287 PolarHBondContact O-N 2.94Å; K285-V288 PolarHBondContact O-N 3.41Å
286	N	91.3	Very high	91.3	Very high	105 Å²	105	71.9 Å²	71.9	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-27.2	176.6	64.8	-51.4	0	0	0	113.8	R284 V288 E289 Q290	R284-N286 PolarHBondContact O-N 2.88Å; R284-N286 VanDerWaalsContact O-N 3.1Å; R284-N286 PolarHBondContact O-OD1 3.34Å; N286-V288 VanDerWaalsContact C-N 3.25Å; N286-V288 PolarHBondContact O-N 2.81Å; N286-E289 PolarHBondContact O-N 3.22Å; N286-Q290 WeakPolarHBondContact O-CB 3.45Å; N286-Q290 PolarHBondContact O-N 2.85Å
287	L	93.5	Very high	91.5	Very high	6 Å²	6	74.6 Å²	74.6	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-64.6	-30	178.5	-70.8	-178.8	0	0	0	112.8	L240 L244 I273 R284 K285 Q290 F291	L240-L287 HydrophobicContact CD1-CD1 3.99Å; L244-L287 HydrophobicContact CD2-CD1 4.44Å; I273-L287 HydrophobicContact CG1-CB 4.29Å; R284-L287 HydrophobicContact CB-CD1 3.78Å; R284-L287 HydrophobicContact CB-CG 4.02Å; R284-L287 HydrophobicContact CG-CD1 4.47Å; R284-L287 WeakPolarHBondContact O-CB 3.47Å; R284-L287 PolarHBondContact O-N 3.42Å; K285-L287 PolarHBondContact O-N 2.94Å; L287-Q290 PolarHBondContact O-N 3.36Å; L287-F291 HydrophobicContact CD2-CE1 4.27Å; L287-F291 WeakPolarHBondContact O-CB 3.43Å; L287-F291 VanDerWaalsContact O-CD1 3.3Å; L287-F291 WeakPolarHBondContact O-CD1 3.38Å; L287-F291 WeakPolarHBondContact O-CG 3.41Å; L287-F291 PolarHBondContact O-N 3.19Å
288	V	95.2	Very high	91.7	Very high	30 Å²	30	73.2 Å²	73.2	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-46.7	179.9	-177.2	0	0	0	0	110.3	Y270 I273 K274 A277 F282 K285 N286 K292	Y270-V288 HydrophobicContact CE2-CG1 4.16Å; I273-V288 HydrophobicContact CG1-CG2 4.11Å; I273-V288 HydrophobicContact CG2-CG2 4.36Å; K274-V288 HydrophobicContact CG-CG1 4.22Å; A277-V288 HydrophobicContact CB-CG2 3.66Å; F282-V288 HydrophobicContact CE1-CG2 4.14Å; K285-V288 PolarHBondContact O-N 3.41Å; N286-V288 VanDerWaalsContact C-N 3.25Å; N286-V288 PolarHBondContact O-N 2.81Å; V288-K292 WeakPolarHBondContact O-CB 3.43Å; V288-K292 PolarHBondContact O-N 3.02Å
289	E	94.8	Very high	92.1	Very high	109 Å²	109	64.9 Å²	64.9	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-69.3	-38.9	178.4	-167.5	59.8	-149.2	0	0	111.1	N286 K292 Q293	N286-E289 PolarHBondContact O-N 3.22Å; E289-K292 PolarHBondContact O-N 3.17Å; E289-Q293 WeakPolarHBondContact O-CB 3.48Å; E289-Q293 PolarHBondContact O-N 2.79Å
290	Q	96.5	Very high	92.6	Very high	64 Å²	64	69 Å²	69	30%	0.299	35%	0.354	S	S	.	.	H	α-helix	trans	-58.8	-51.3	174.9	-177.3	-177.7	-8.2	0	0	111.5	Y247 N286 L287 K292 Q293 E294	Y247-Q290 PolarHBondContact OH-NE2 2.7Å; Y247-Q290 VanDerWaalsContact OH-NE2 3.09Å; N286-Q290 WeakPolarHBondContact O-CB 3.45Å; N286-Q290 PolarHBondContact O-N 2.85Å; L287-Q290 PolarHBondContact O-N 3.36Å; Q290-K292 VanDerWaalsContact C-N 3.3Å; Q290-K292 PolarHBondContact O-N 3.19Å; Q290-Q293 PolarHBondContact O-N 3.34Å; Q290-E294 HydrophobicContact CG-CG 4.5Å; Q290-E294 VanDerWaalsContact CG-OE1 3.26Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.36Å; Q290-E294 PolarHBondContact NE2-OE1 2.74Å; Q290-E294 WeakPolarHBondContact O-CG 3.32Å; Q290-E294 PolarHBondContact O-N 2.88Å
291	F	97.3	Very high	93.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-40	-178.3	-76.7	19.8	0	0	0	110.8	A243 L244 Y247 A269 Y270 I273 L287 E294 E295	A243-F291 HydrophobicContact CB-CE2 4.18Å; L244-F291 HydrophobicContact CD2-CZ 4.09Å; Y247-F291 AromaticContact CD1-CE1 3.91Å; Y247-F291 HydrophobicContact CD1-CE1 3.91Å; Y247-F291 HydrophobicContact CD1-CZ 4.01Å; Y247-F291 AromaticContact CD2-CD1 3.55Å; Y247-F291 HydrophobicContact CD2-CD1 3.55Å; Y247-F291 HydrophobicContact CD2-CD2 4.48Å; Y247-F291 AromaticContact CD2-CE1 3.23Å; Y247-F291 HydrophobicContact CD2-CE1 3.23Å; Y247-F291 HydrophobicContact CD2-CE2 4.24Å; Y247-F291 HydrophobicContact CD2-CG 4.19Å; Y247-F291 AromaticContact CD2-CZ 3.63Å; Y247-F291 HydrophobicContact CD2-CZ 3.63Å; Y247-F291 HydrophobicContact CE1-CE1 4.25Å; Y247-F291 AromaticContact CE2-CD1 3.81Å; Y247-F291 HydrophobicContact CE2-CD1 3.81Å; Y247-F291 AromaticContact CE2-CE1 3.65Å; Y247-F291 HydrophobicContact CE2-CE1 3.65Å; Y247-F291 HydrophobicContact CE2-CZ 4.45Å; Y247-F291 HydrophobicContact CG-CD1 4.18Å; Y247-F291 AromaticContact CG-CE1 3.4Å; Y247-F291 HydrophobicContact CG-CE1 3.4Å; Y247-F291 VanDerWaalsContact CG-CE1 3.4Å; Y247-F291 HydrophobicContact CG-CE2 4.13Å; Y247-F291 AromaticContact CG-CZ 3.38Å; Y247-F291 HydrophobicContact CG-CZ 3.38Å; A269-F291 HydrophobicContact CB-CD2 3.98Å; A269-F291 HydrophobicContact CB-CE2 3.95Å; Y270-F291 HydrophobicContact CD2-CB 4.12Å; I273-F291 HydrophobicContact CB-CD2 3.95Å; I273-F291 HydrophobicContact CB-CE2 4.16Å; I273-F291 HydrophobicContact CG1-CD2 4.46Å; I273-F291 HydrophobicContact CG1-CE2 4.47Å; I273-F291 HydrophobicContact CG2-CB 4.21Å; I273-F291 HydrophobicContact CG2-CD2 3.61Å; I273-F291 HydrophobicContact CG2-CE2 4.32Å; I273-F291 HydrophobicContact CG2-CG 4.19Å; L287-F291 HydrophobicContact CD2-CE1 4.27Å; L287-F291 WeakPolarHBondContact O-CB 3.43Å; L287-F291 VanDerWaalsContact O-CD1 3.3Å; L287-F291 WeakPolarHBondContact O-CD1 3.38Å; L287-F291 WeakPolarHBondContact O-CG 3.41Å; L287-F291 PolarHBondContact O-N 3.19Å; F291-E294 PolarHBondContact O-N 2.92Å; F291-E295 WeakPolarHBondContact O-CB 3.46Å; F291-E295 PolarHBondContact O-N 2.71Å
292	K	96.9	Very high	94	Very high	90 Å²	90	63.9 Å²	63.9	39%	0.391	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-47.4	175.2	-174.1	-175	175.2	-164.6	0	112.3	Y270 V288 E289 Q290 S296	Y270-K292 HydrophobicContact CD2-CB 4.07Å; Y270-K292 HydrophobicContact CE1-CB 4.44Å; Y270-K292 HydrophobicContact CE1-CG 4.24Å; Y270-K292 HydrophobicContact CE2-CB 3.51Å; Y270-K292 HydrophobicContact CE2-CD 4.5Å; Y270-K292 HydrophobicContact CE2-CG 4.04Å; Y270-K292 WeakPolarHBondContact OH-CD 3.33Å; Y270-K292 WeakPolarHBondContact OH-CG 3.47Å; V288-K292 WeakPolarHBondContact O-CB 3.43Å; V288-K292 PolarHBondContact O-N 3.02Å; E289-K292 PolarHBondContact O-N 3.17Å; Q290-K292 VanDerWaalsContact C-N 3.3Å; Q290-K292 PolarHBondContact O-N 3.19Å; K292-S296 PolarHBondContact O-N 3.36Å
293	Q	97.4	Very high	94.5	Very high	130 Å²	130	68 Å²	68	61%	0.607	34%	0.336	S	S	*	.	H	α-helix	trans	-64.3	-47	-179.2	-176	179.8	4.2	0	0	110.8	E289 Q290 S296 V297	E289-Q293 WeakPolarHBondContact O-CB 3.48Å; E289-Q293 PolarHBondContact O-N 2.79Å; Q290-Q293 PolarHBondContact O-N 3.34Å; Q293-S296 PolarHBondContact O-N 3.3Å; Q293-V297 WeakPolarHBondContact O-CG2 3.44Å; Q293-V297 PolarHBondContact O-N 2.64Å; Q293-V297 VanDerWaalsContact O-N 3.09Å
294	E	97.3	Very high	95.3	Very high	44 Å²	44	69 Å²	69	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-69.5	-33.2	-178.7	-67.2	-172.7	-150.2	0	0	112.9	Y247 K251 Q290 F291 V297 A298	Y247-E294 WeakPolarHBondContact CE2-OE2 3.41Å; Y247-E294 PolarHBondContact OH-OE1 3.34Å; Y247-E294 PolarHBondContact OH-OE2 2.62Å; K251-E294 WeakPolarHBondContact CE-OE2 3.24Å; K251-E294 IonicContact NZ-OE2 2.69Å; K251-E294 PolarHBondContact NZ-OE2 3.34Å; Q290-E294 HydrophobicContact CG-CG 4.5Å; Q290-E294 VanDerWaalsContact CG-OE1 3.26Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.36Å; Q290-E294 PolarHBondContact NE2-OE1 2.74Å; Q290-E294 WeakPolarHBondContact O-CG 3.32Å; Q290-E294 PolarHBondContact O-N 2.88Å; F291-E294 PolarHBondContact O-N 2.92Å; E294-V297 PolarHBondContact O-N 3.46Å; E294-A298 WeakPolarHBondContact O-CB 3.46Å; E294-A298 PolarHBondContact O-N 3.08Å
295	E	97.9	Very high	95.8	Very high	42 Å²	42	70.7 Å²	70.7	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-48.9	171.4	-171.3	-92.6	175.8	0	0	111.2	I266 S267 F291 V297 A298 V299	I266-E295 HydrophobicContact CG1-CB 3.93Å; I266-E295 HydrophobicContact CG1-CG 4.47Å; I266-E295 HydrophobicContact CG2-CB 4.24Å; I266-E295 HydrophobicContact CG2-CG 4.07Å; S267-E295 WeakPolarHBondContact OG-CG 3.46Å; S267-E295 PolarHBondContact OG-OE1 3.13Å; F291-E295 WeakPolarHBondContact O-CB 3.46Å; F291-E295 PolarHBondContact O-N 2.71Å; E295-V297 VanDerWaalsContact C-N 3.27Å; E295-V297 PolarHBondContact O-N 2.87Å; E295-A298 PolarHBondContact O-N 2.96Å; E295-V299 WeakPolarHBondContact O-CG2 3.47Å; E295-V299 PolarHBondContact O-N 3.21Å
296	S	97.6	Very high	96.4	Very high	69 Å²	69	67.6 Å²	67.6	48%	0.483	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-36.2	178.2	-179.8	0	0	0	0	112.5	K292 Q293 K300	K292-S296 PolarHBondContact O-N 3.36Å; Q293-S296 PolarHBondContact O-N 3.3Å; S296-K300 WeakPolarHBondContact O-CB 3.44Å; S296-K300 PolarHBondContact O-N 2.74Å; S296-K300 VanDerWaalsContact O-N 3.07Å
297	V	97.6	Very high	96.6	Very high	73 Å²	73	68.9 Å²	68.9	44%	0.442	34%	0.341	S	S	.	.	H	α-helix	trans	-66.5	-49.7	174.7	171.8	0	0	0	0	110.7	Q293 E294 E295 V299 K300 D301	Q293-V297 WeakPolarHBondContact O-CG2 3.44Å; Q293-V297 PolarHBondContact O-N 2.64Å; Q293-V297 VanDerWaalsContact O-N 3.09Å; E294-V297 PolarHBondContact O-N 3.46Å; E295-V297 VanDerWaalsContact C-N 3.27Å; E295-V297 PolarHBondContact O-N 2.87Å; V297-V299 VanDerWaalsContact C-N 3.35Å; V297-V299 PolarHBondContact O-N 2.69Å; V297-K300 PolarHBondContact O-N 3.03Å; V297-D301 PolarHBondContact O-N 3.39Å
298	A	97	Very high	96.7	Very high	7 Å²	7	72 Å²	72	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-42.1	-179.1	0	0	0	0	0	112.5	Q262 V263 I266 E294 E295 N302	Q262-A298 HydrophobicContact CG-CB 4.37Å; V263-A298 HydrophobicContact CG2-CB 4.12Å; V263-A298 WeakPolarHBondContact CG2-O 3.48Å; I266-A298 HydrophobicContact CG2-CB 4.08Å; E294-A298 WeakPolarHBondContact O-CB 3.46Å; E294-A298 PolarHBondContact O-N 3.08Å; E295-A298 PolarHBondContact O-N 2.96Å; A298-N302 WeakPolarHBondContact O-CB 3.3Å; A298-N302 PolarHBondContact O-N 3.37Å
299	V	97.3	Very high	96.8	Very high	41 Å²	41	79.8 Å²	79.8	25%	0.248	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-49.9	175.5	171.6	0	0	0	0	110.3	V263 E295 V297 D301 N302 D303	V263-V299 HydrophobicContact CG1-CG2 3.76Å; E295-V299 WeakPolarHBondContact O-CG2 3.47Å; E295-V299 PolarHBondContact O-N 3.21Å; V297-V299 VanDerWaalsContact C-N 3.35Å; V297-V299 PolarHBondContact O-N 2.69Å; V299-D301 PolarHBondContact O-N 2.83Å; V299-N302 PolarHBondContact O-N 3.11Å; V299-D303 WeakPolarHBondContact O-CB 3.42Å; V299-D303 VanDerWaalsContact O-CG 3.28Å; V299-D303 PolarHBondContact O-N 2.8Å
300	K	97.8	Very high	96.9	Very high	125 Å²	125	77.7 Å²	77.7	54%	0.543	38%	0.381	S	S	.	.	H	α-helix	trans	-60	-44.5	-179.4	-176.8	179.9	178.5	-175.2	0	112.4	S296 V297 D303 H304	S296-K300 WeakPolarHBondContact O-CB 3.44Å; S296-K300 PolarHBondContact O-N 2.74Å; S296-K300 VanDerWaalsContact O-N 3.07Å; V297-K300 PolarHBondContact O-N 3.03Å; K300-D303 PolarHBondContact O-N 3.03Å; K300-H304 WeakPolarHBondContact O-CB 3.15Å; K300-H304 PolarHBondContact O-CD2 3.36Å; K300-H304 PolarHBondContact O-N 3.01Å
301	D	97.1	Very high	96.8	Very high	58 Å²	58	76.3 Å²	76.3	31%	0.31	38%	0.377	S	S	.	.	H	α-helix	trans	-68.2	-38.9	179.8	-70	-13.2	0	0	0	111.2	V297 V299 I305 Y306	V297-D301 PolarHBondContact O-N 3.39Å; V299-D301 PolarHBondContact O-N 2.83Å; D301-I305 HydrophobicContact CB-CD1 4.42Å; D301-I305 WeakPolarHBondContact O-CA 3.43Å; D301-I305 WeakPolarHBondContact O-CB 3.49Å; D301-I305 PolarHBondContact O-N 2.96Å; D301-Y306 HydrophobicContact CB-CD2 4.32Å; D301-Y306 HydrophobicContact CB-CE2 3.91Å; D301-Y306 PolarHBondContact O-N 3.09Å
302	N	96.9	Very high	96.7	Very high	4 Å²	4	80.6 Å²	80.6	2%	0.021	41%	0.405	C	S	.	.	I	π-helix	trans	-66.4	-40.2	175	-167	58.5	0	0	0	112	V263 A298 V299 H304 H307 E308	V263-N302 HydrophobicContact CG2-CB 3.85Å; A298-N302 WeakPolarHBondContact O-CB 3.3Å; A298-N302 PolarHBondContact O-N 3.37Å; V299-N302 PolarHBondContact O-N 3.11Å; N302-H304 PolarHBondContact O-N 3.07Å; N302-H307 VanDerWaalsContact O-CA 3.27Å; N302-H307 WeakPolarHBondContact O-CA 3.48Å; N302-H307 PolarHBondContact O-N 3.25Å; N302-E308 PolarHBondContact ND2-O 3.06Å; N302-E308 PolarHBondContact OD1-N 3.42Å
303	D	96.5	Very high	96.3	Very high	94 Å²	94	82 Å²	82	50%	0.503	41%	0.408	S	S	.	.	I	π-helix	trans	-72.7	-26.6	-178.6	-72.3	-12.4	0	0	0	113.6	V299 K300 H307	V299-D303 WeakPolarHBondContact O-CB 3.42Å; V299-D303 VanDerWaalsContact O-CG 3.28Å; V299-D303 PolarHBondContact O-N 2.8Å; K300-D303 PolarHBondContact O-N 3.03Å; D303-H307 PolarHBondContact O-NE2 3.16Å; D303-H307 VanDerWaalsContact O-NE2 3.16Å
304	H	96.4	Very high	96	Very high	133 Å²	133	79.9 Å²	79.9	62%	0.616	42%	0.421	S	S	*	.	I	π-helix	trans	-107.4	-24.5	-177.1	-65.7	-54.3	0	0	0	114.7	K300 N302 H307	K300-H304 WeakPolarHBondContact O-CB 3.15Å; K300-H304 PolarHBondContact O-CD2 3.36Å; K300-H304 PolarHBondContact O-N 3.01Å; N302-H304 PolarHBondContact O-N 3.07Å; H304-H307 PolarHBondContact O-CE1 3.43Å
305	I	96.4	Very high	95.8	Very high	103 Å²	103	81.3 Å²	81.3	53%	0.528	44%	0.436	S	S	.	.	I	π-helix	trans	-117.1	-61.9	-171.8	-51.4	175.2	0	0	0	110.4	D301 H307	D301-I305 HydrophobicContact CB-CD1 4.42Å; D301-I305 WeakPolarHBondContact O-CA 3.43Å; D301-I305 WeakPolarHBondContact O-CB 3.49Å; D301-I305 PolarHBondContact O-N 2.96Å; I305-H307 PolarHBondContact O-ND1 2.93Å
306	Y	95.9	Very high	95.6	Very high	92 Å²	92	80.6 Å²	80.6	36%	0.361	43%	0.433	S	S	.	.	I	π-helix	trans	-88.2	-35.1	-165	-52.9	-62.1	0	0	0	114.8	Y259 D301 E308	Y259-Y306 AromaticContact CD1-CD2 3.7Å; Y259-Y306 HydrophobicContact CD1-CD2 3.7Å; Y259-Y306 AromaticContact CD1-CE2 3.58Å; Y259-Y306 HydrophobicContact CD1-CE2 3.58Å; Y259-Y306 HydrophobicContact CD1-CG 4.25Å; Y259-Y306 AromaticContact CD2-CD1 3.53Å; Y259-Y306 HydrophobicContact CD2-CD1 3.53Å; Y259-Y306 AromaticContact CD2-CD2 3.71Å; Y259-Y306 HydrophobicContact CD2-CD2 3.71Å; Y259-Y306 AromaticContact CD2-CE1 3.99Å; Y259-Y306 HydrophobicContact CD2-CE1 3.99Å; Y259-Y306 HydrophobicContact CD2-CE2 4.14Å; Y259-Y306 AromaticContact CD2-CG 3.38Å; Y259-Y306 HydrophobicContact CD2-CG 3.38Å; Y259-Y306 HydrophobicContact CE1-CD2 4.13Å; Y259-Y306 HydrophobicContact CE1-CE1 4.11Å; Y259-Y306 AromaticContact CE1-CE2 3.61Å; Y259-Y306 HydrophobicContact CE1-CE2 3.61Å; Y259-Y306 AromaticContact CE1-CZ 3.6Å; Y259-Y306 AromaticContact CE2-CD1 3.39Å; Y259-Y306 HydrophobicContact CE2-CD1 3.39Å; Y259-Y306 HydrophobicContact CE2-CD2 4.13Å; Y259-Y306 AromaticContact CE2-CE1 3.44Å; Y259-Y306 HydrophobicContact CE2-CE1 3.44Å; Y259-Y306 VanDerWaalsContact CE2-CE1 3.44Å; Y259-Y306 HydrophobicContact CE2-CE2 4.16Å; Y259-Y306 AromaticContact CE2-CG 3.75Å; Y259-Y306 HydrophobicContact CE2-CG 3.75Å; Y259-Y306 AromaticContact CE2-CZ 3.83Å; Y259-Y306 HydrophobicContact CG-CD1 4.18Å; Y259-Y306 AromaticContact CG-CD2 3.46Å; Y259-Y306 HydrophobicContact CG-CD2 3.46Å; Y259-Y306 VanDerWaalsContact CG-CD2 3.46Å; Y259-Y306 AromaticContact CG-CE2 3.84Å; Y259-Y306 HydrophobicContact CG-CE2 3.84Å; Y259-Y306 AromaticContact CG-CG 3.65Å; Y259-Y306 HydrophobicContact CG-CG 3.65Å; Y259-Y306 AromaticContact CZ-CD1 3.94Å; Y259-Y306 AromaticContact CZ-CE1 3.49Å; Y259-Y306 VanDerWaalsContact CZ-CE1 3.49Å; Y259-Y306 AromaticContact CZ-CE2 3.9Å; Y259-Y306 AromaticContact CZ-CZ 3.46Å; Y259-Y306 VanDerWaalsContact CZ-CZ 3.46Å; D301-Y306 HydrophobicContact CB-CD2 4.32Å; D301-Y306 HydrophobicContact CB-CE2 3.91Å; D301-Y306 PolarHBondContact O-N 3.09Å; Y306-E308 PolarHBondContact O-N 3.33Å
307	H	95.4	Very high	95.5	Very high	133 Å²	133	80.2 Å²	80.2	62%	0.616	43%	0.434	S	S	*	.			trans	53	33.4	-178.6	-54.2	84.9	0	0	0	114	N302 D303 H304 I305	N302-H307 VanDerWaalsContact O-CA 3.27Å; N302-H307 WeakPolarHBondContact O-CA 3.48Å; N302-H307 PolarHBondContact O-N 3.25Å; D303-H307 PolarHBondContact O-NE2 3.16Å; D303-H307 VanDerWaalsContact O-NE2 3.16Å; H304-H307 PolarHBondContact O-CE1 3.43Å; I305-H307 PolarHBondContact O-ND1 2.93Å
308	E	96.3	Very high	95.3	Very high	72 Å²	72	82.6 Å²	82.6	34%	0.336	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-75.6	142.2	175.3	-73.8	-172.2	-163.7	0	0	111.1	Y259 G260 N302 Y306 V310	Y259-E308 WeakPolarHBondContact CD2-OE1 3.42Å; Y259-E308 PolarHBondContact N-OE2 3.38Å; G260-E308 PolarHBondContact N-OE2 3.31Å; N302-E308 PolarHBondContact ND2-O 3.06Å; N302-E308 PolarHBondContact OD1-N 3.42Å; Y306-E308 PolarHBondContact O-N 3.33Å; E308-V310 PolarHBondContact O-N 3.48Å
309	K	95.9	Very high	95.3	Very high	193 Å²	193	83.1 Å²	83.1	84%	0.839	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-67.3	120.8	176.8	-176.1	178.1	179.4	179.9	0	110	P311	K309-P311 WeakPolarHBondContact O-CD 3.31Å
310	V	97	Very high	95.2	Very high	64 Å²	64	87.4 Å²	87.4	39%	0.388	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-72.6	117.7	175.1	-175.7	0	0	0	0	109.5	V263 A264 E308	V263-V310 HydrophobicContact CB-CG1 4.4Å; V263-V310 HydrophobicContact CB-CG2 4.07Å; V263-V310 HydrophobicContact CG1-CG1 4.09Å; V263-V310 HydrophobicContact CG1-CG2 3.86Å; A264-V310 HydrophobicContact CB-CG1 3.77Å; E308-V310 PolarHBondContact O-N 3.48Å
311	P	95.8	Very high	95	Very high	35 Å²	35	84.1 Å²	84.1	23%	0.227	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-70.4	146.6	178.5	28.1	-32.3	0	0	0	111.4	G260 E261 A264 K309 L316	G260-P311 VanDerWaalsContact C-CD 3.48Å; G260-P311 VanDerWaalsContact O-CD 3.29Å; G260-P311 WeakPolarHBondContact O-CD 3.07Å; E261-P311 HydrophobicContact CB-CG 4.31Å; A264-P311 HydrophobicContact CB-CG 3.94Å; A264-P311 WeakPolarHBondContact CB-O 3.4Å; K309-P311 WeakPolarHBondContact O-CD 3.31Å; P311-L316 HydrophobicContact CG-CD2 3.86Å
312	P	94.4	Very high	94.9	Very high	90 Å²	90	83.5 Å²	83.5	58%	0.584	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-66.8	153.1	172.6	28.7	-34.5	0	0	0	111.2	G314 S315	P312-G314 VanDerWaalsContact C-N 3.3Å; P312-G314 PolarHBondContact O-N 3.06Å; P312-S315 VanDerWaalsContact CD-OG 3.27Å; P312-S315 WeakPolarHBondContact CD-OG 3.35Å; P312-S315 WeakPolarHBondContact CG-OG 3.12Å; P312-S315 PolarHBondContact O-N 3.49Å; P312-S315 PolarHBondContact O-OG 3.16Å
313	R	89.3	Confident	94.7	Very high	120 Å²	120	89.2 Å²	89.2	45%	0.453	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-54.4	-42	-175	-66.5	-175.2	-171.7	161.1	9.8	114.4	E271 S315 L316	E271-R313 IonicContact OE1-CZ 3.69Å; E271-R313 IonicContact OE1-NH1 3.87Å; E271-R313 IonicContact OE1-NH2 2.9Å; E271-R313 PolarHBondContact OE1-NH2 3.42Å; E271-R313 IonicContact OE2-CZ 3.09Å; E271-R313 IonicContact OE2-NH1 2.65Å; E271-R313 PolarHBondContact OE2-NH1 3.46Å; E271-R313 IonicContact OE2-NH2 2.71Å; E271-R313 PolarHBondContact OE2-NH2 2.89Å; R313-S315 PolarHBondContact O-N 3.41Å; R313-L316 WeakPolarHBondContact O-CB 3.18Å; R313-L316 WeakPolarHBondContact O-CG 3.1Å; R313-L316 PolarHBondContact O-N 2.85Å; R313-L316 VanDerWaalsContact O-N 3.12Å
314	G	90.4	Very high	94.5	Very high	86 Å²	86	88.3 Å²	88.3	89%	0.887	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14.3	-179.1	0	0	0	0	0	114.4	P312	P312-G314 VanDerWaalsContact C-N 3.3Å; P312-G314 PolarHBondContact O-N 3.06Å
315	S	93	Very high	94.3	Very high	74 Å²	74	82.6 Å²	82.6	52%	0.517	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-98	2.4	175.4	67.5	0	0	0	0	113.6	P312 R313	P312-S315 VanDerWaalsContact CD-OG 3.27Å; P312-S315 WeakPolarHBondContact CD-OG 3.35Å; P312-S315 WeakPolarHBondContact CG-OG 3.12Å; P312-S315 PolarHBondContact O-N 3.49Å; P312-S315 PolarHBondContact O-OG 3.16Å; R313-S315 PolarHBondContact O-N 3.41Å
316	L	93.9	Very high	94	Very high	26 Å²	26	85.7 Å²	85.7	14%	0.136	47%	0.474	C	S	.	.	S	Bend	trans	-74.5	129.3	175.7	-64.4	175.6	0	0	0	110	E261 A264 R265 P311 R313	E261-L316 HydrophobicContact CG-CD2 3.85Å; A264-L316 HydrophobicContact CB-CD1 4.3Å; A264-L316 HydrophobicContact CB-CD2 3.95Å; R265-L316 HydrophobicContact CG-CD1 4.11Å; R265-L316 HydrophobicContact CG-CD2 4.21Å; P311-L316 HydrophobicContact CG-CD2 3.86Å; R313-L316 WeakPolarHBondContact O-CB 3.18Å; R313-L316 WeakPolarHBondContact O-CG 3.1Å; R313-L316 PolarHBondContact O-N 2.85Å; R313-L316 VanDerWaalsContact O-N 3.12Å
317	A	94.1	Very high	93.6	Very high	61 Å²	61	85 Å²	85	50%	0.504	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-63.4	137.8	175.5	0	0	0	0	0	110.9	R265	R265-A317 PolarHBondContact NH1-O 3.4Å; R265-A317 PolarHBondContact NH2-O 3.45Å
318	P	94.8	Very high	93	Very high	124 Å²	124	82.4 Å²	82.4	81%	0.805	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-58.4	143.5	171.5	-23	33.4	0	0	0	111.5
319	V	96.4	Very high	92.4	Very high	18 Å²	18	84.1 Å²	84.1	11%	0.109	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-83.7	119	175.3	-178.2	0	0	0	0	108.7	A201 R202 S205 T245 Q249	A201-V319 HydrophobicContact CB-CG1 3.98Å; R202-V319 HydrophobicContact CG-CG1 4.38Å; S205-V319 PolarHBondContact OG-O 3.43Å; T245-V319 HydrophobicContact CG2-CB 3.66Å; T245-V319 HydrophobicContact CG2-CG1 3.92Å; T245-V319 HydrophobicContact CG2-CG2 3.77Å; Q249-V319 HydrophobicContact CB-CG2 3.97Å; Q249-V319 HydrophobicContact CG-CG2 3.81Å
320	E	95.1	Very high	92.1	Very high	130 Å²	130	76.1 Å²	76.1	61%	0.607	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-58	139	178.8	-65.4	179.2	164.4	0	0	111.9	R202	R202-E320 VanDerWaalsContact CA-O 3.29Å; R202-E320 WeakPolarHBondContact CA-O 3.48Å; R202-E320 VanDerWaalsContact CB-O 3.28Å; R202-E320 WeakPolarHBondContact CB-O 3.06Å; R202-E320 VanDerWaalsContact CG-O 3.22Å; R202-E320 WeakPolarHBondContact CG-O 3.47Å; R202-E320 IonicContact CZ-OE2 3.74Å
321	S	93.7	Very high	91.5	Very high	57 Å²	57	78.2 Å²	78.2	40%	0.399	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-78.1	160.4	169.3	-52.6	0	0	0	0	110.8	S205 T206 N209	S205-S321 PolarHBondContact OG-OG 3.27Å; T206-S321 WeakPolarHBondContact OG1-CB 3.13Å; N209-S321 PolarHBondContact ND2-OG 2.85Å
322	V	95.3	Very high	91	Very high	44 Å²	44	78.9 Å²	78.9	27%	0.267	46%	0.463	S	S	.	.			trans	-128.4	140.7	177	62.5	0	0	0	0	110.8	Y183 R202 I203 T206 V324	Y183-V322 PolarHBondContact OH-O 2.65Å; R202-V322 HydrophobicContact CB-CB 4.12Å; R202-V322 HydrophobicContact CB-CG1 3.92Å; I203-V322 HydrophobicContact CB-CG1 4.46Å; I203-V322 HydrophobicContact CG1-CG1 3.78Å; T206-V322 PolarHBondContact OG1-N 3.1Å; T206-V322 PolarHBondContact OG1-O 3.36Å; V322-V324 HydrophobicContact CB-CG2 4.33Å; V322-V324 HydrophobicContact CG1-CG2 3.79Å; V322-V324 HydrophobicContact CG2-CG2 3.65Å
323	D	91.8	Very high	90.7	Very high	124 Å²	124	78.1 Å²	78.1	66%	0.663	46%	0.457	S	S	*	.			trans	-100.3	94.6	170.3	-172.9	24	0	0	0	110.9	Y183	Y183-D323 WeakPolarHBondContact OH-CA 3.45Å; Y183-D323 PolarHBondContact OH-OD1 3.41Å
324	V	92.5	Very high	90.8	Very high	76 Å²	76	73.4 Å²	73.4	46%	0.461	44%	0.441	S	S	.	.			trans	-97.4	-30.7	179.2	-174.1	0	0	0	0	111.2	Y183 V186 V322 K326	Y183-V324 HydrophobicContact CE1-CB 4.12Å; Y183-V324 HydrophobicContact CE1-CG2 4.45Å; Y183-V324 PolarHBondContact OH-N 3.31Å; V186-V324 HydrophobicContact CG1-CG1 4.43Å; V322-V324 HydrophobicContact CB-CG2 4.33Å; V322-V324 HydrophobicContact CG1-CG2 3.79Å; V322-V324 HydrophobicContact CG2-CG2 3.65Å; V324-K326 PolarHBondContact O-N 3.2Å
325	I	93.9	Very high	90.4	Very high	13 Å²	13	69.5 Å²	69.5	7%	0.067	40%	0.4	C	S	.	.	S	Bend	trans	-94.8	94.3	-176.1	-55.6	-177.3	0	0	0	109.1	K142 L179 A182 Y183 V186 K327	K142-I325 HydrophobicContact CD-CG2 4.15Å; K142-I325 HydrophobicContact CG-CG2 4.26Å; L179-I325 HydrophobicContact CD1-CB 4.28Å; L179-I325 HydrophobicContact CD1-CG2 4.11Å; A182-I325 HydrophobicContact CB-CD1 3.57Å; Y183-I325 HydrophobicContact CD1-CD1 4.11Å; Y183-I325 HydrophobicContact CD1-CG1 4.3Å; Y183-I325 HydrophobicContact CD2-CD1 3.73Å; Y183-I325 HydrophobicContact CD2-CG1 4.31Å; Y183-I325 HydrophobicContact CE1-CD1 4.28Å; Y183-I325 HydrophobicContact CE1-CG1 4Å; Y183-I325 HydrophobicContact CE2-CB 4.07Å; Y183-I325 HydrophobicContact CE2-CD1 3.91Å; Y183-I325 HydrophobicContact CE2-CG1 4Å; Y183-I325 HydrophobicContact CG-CD1 3.82Å; Y183-I325 HydrophobicContact CG-CG1 4.44Å; Y183-I325 PolarHBondContact OH-N 3.49Å; Y183-I325 VanDerWaalsContact OH-N 3.13Å; V186-I325 HydrophobicContact CG2-CD1 3.76Å; V186-I325 HydrophobicContact CG2-CG1 3.93Å; I325-K327 PolarHBondContact O-N 2.95Å; I325-K327 VanDerWaalsContact O-N 3.15Å
326	K	89.5	Confident	89.6	Confident	167 Å²	167	71.6 Å²	71.6	73%	0.726	42%	0.415	S	S	*	.			trans	-65.4	114	171.3	-63.6	-172.9	178.8	-174.1	0	110.3	K142 V324	K142-K326 WeakPolarHBondContact CE-O 3.21Å; K142-K326 PolarHBondContact NZ-O 2.97Å; V324-K326 PolarHBondContact O-N 3.2Å
327	K	86.2	Confident	88.5	Confident	79 Å²	79	74.7 Å²	74.7	34%	0.343	44%	0.439	S	S	.	.			trans	-65.4	139.3	167.4	-70.3	-170.6	175.3	-172.5	0	109.5	S145 D149 S175 I325	S145-K327 WeakPolarHBondContact OG-CE 3.38Å; S145-K327 PolarHBondContact OG-NZ 3Å; D149-K327 IonicContact OD1-NZ 2.72Å; D149-K327 VanDerWaalsContact OD2-CD 3.31Å; D149-K327 WeakPolarHBondContact OD2-CD 3.45Å; D149-K327 WeakPolarHBondContact OD2-CE 3.49Å; D149-K327 IonicContact OD2-NZ 3.17Å; D149-K327 PolarHBondContact OD2-NZ 3.12Å; S175-K327 PolarHBondContact OG-NZ 3.03Å; S175-K327 VanDerWaalsContact OG-NZ 3.1Å; I325-K327 PolarHBondContact O-N 2.95Å; I325-K327 VanDerWaalsContact O-N 3.15Å
328	T	82.9	Confident	87.1	Confident	78 Å²	78	73.6 Å²	73.6	48%	0.479	42%	0.424	S	S	.	.			trans	-120.2	131.6	177.5	-49.2	0	0	0	0	107	K142 C146	K142-T328 PolarHBondContact NZ-OG1 3.34Å; K142-T328 VanDerWaalsContact NZ-OG1 3.09Å; C146-T328 PolarHBondContact SG-O 3.31Å
329	P	84.7	Confident	85.8	Confident	107 Å²	107	74.2 Å²	74.2	70%	0.695	43%	0.426	S	S	*	.			trans	-51.8	144	176.1	-26.1	34.4	0	0	0	111.3	T331	P329-T331 PolarHBondContact O-N 3.06Å
330	L	88.9	Confident	85.2	Confident	26 Å²	26	77.9 Å²	77.9	14%	0.136	44%	0.441	C	S	.	.			trans	-65.3	130.3	175.1	-164	67.2	0	0	0	108.5	L112 T147 Y150 F332 L334	L112-L330 HydrophobicContact CD2-CD2 3.74Å; T147-L330 HydrophobicContact CG2-CD2 4.48Å; Y150-L330 HydrophobicContact CD1-CD2 3.91Å; Y150-L330 HydrophobicContact CD2-CB 4.23Å; Y150-L330 HydrophobicContact CG-CB 4.06Å; Y150-L330 HydrophobicContact CG-CD2 4.06Å; L330-F332 HydrophobicContact CD2-CE1 4.12Å; L330-F332 HydrophobicContact CD2-CZ 3.96Å; L330-F332 HydrophobicContact CG-CE1 4.47Å; L330-F332 HydrophobicContact CG-CZ 4.36Å; L330-L334 HydrophobicContact CD1-CD2 3.71Å; L330-L334 HydrophobicContact CD2-CD2 3.88Å; L330-L334 HydrophobicContact CG-CD2 3.71Å
331	T	85.6	Confident	84.7	Confident	107 Å²	107	73.7 Å²	73.7	66%	0.656	42%	0.422	S	S	*	.			trans	-115	145	-179.6	44.9	0	0	0	0	109.2	P329	P329-T331 PolarHBondContact O-N 3.06Å
332	F	85.1	Confident	84.4	Confident	50 Å²	50	71.5 Å²	71.5	22%	0.219	41%	0.405	C	S	.	.	S	Bend	trans	-110.9	145.9	178.3	-58.2	-70.3	0	0	0	110.1	H68 Y72 L112 Y150 L330 L334	H68-F332 AromaticContact CE1-CD1 3.4Å; H68-F332 VanDerWaalsContact CE1-CD1 3.4Å; H68-F332 WeakPolarHBondContact CE1-CD1 3.31Å; H68-F332 AromaticContact CE1-CE1 3.09Å; H68-F332 WeakPolarHBondContact CE1-CE1 3.15Å; H68-F332 AromaticContact CE1-CZ 3.96Å; H68-F332 AromaticContact ND1-CD1 3.87Å; H68-F332 AromaticContact ND1-CE1 3.77Å; H68-F332 AromaticContact NE2-CE1 3.84Å; Y72-F332 HydrophobicContact CD1-CB 4.2Å; Y72-F332 HydrophobicContact CE1-CB 4.1Å; L112-F332 HydrophobicContact CD2-CE1 4.48Å; Y150-F332 HydrophobicContact CD1-CZ 4.21Å; Y150-F332 AromaticContact CE1-CE2 3.91Å; Y150-F332 HydrophobicContact CE1-CE2 3.91Å; Y150-F332 AromaticContact CE1-CZ 3.53Å; Y150-F332 HydrophobicContact CE1-CZ 3.53Å; Y150-F332 HydrophobicContact CE2-CE2 4.03Å; Y150-F332 HydrophobicContact CE2-CZ 4.37Å; Y150-F332 AromaticContact CZ-CE2 3.49Å; Y150-F332 VanDerWaalsContact CZ-CE2 3.49Å; Y150-F332 AromaticContact CZ-CZ 3.64Å; Y150-F332 VanDerWaalsContact OH-CE2 3.32Å; Y150-F332 WeakPolarHBondContact OH-CE2 3.49Å; L330-F332 HydrophobicContact CD2-CE1 4.12Å; L330-F332 HydrophobicContact CD2-CZ 3.96Å; L330-F332 HydrophobicContact CG-CE1 4.47Å; L330-F332 HydrophobicContact CG-CZ 4.36Å; F332-L334 HydrophobicContact CD1-CD2 3.85Å; F332-L334 HydrophobicContact CD1-CG 3.83Å; F332-L334 HydrophobicContact CE1-CD1 4.33Å; F332-L334 HydrophobicContact CE1-CD2 3.68Å; F332-L334 HydrophobicContact CE1-CG 3.89Å
333	P	87.6	Confident	84.1	Confident	73 Å²	73	69.5 Å²	69.5	47%	0.474	39%	0.393	S	S	.	.			cis	-65.7	149.5	-4	28.7	-34.9	0	0	0	113	D69	D69-P333 HydrophobicContact CB-CB 4.17Å; D69-P333 WeakPolarHBondContact OD2-CB 3.26Å
334	L	90.5	Very high	83.8	Confident	21 Å²	21	70.3 Å²	70.3	11%	0.11	39%	0.393	C	S	.	.			trans	-69.8	-37.4	176.3	-63.6	178.4	0	0	0	111.6	A65 H68 D69 L112 Y115 L330 F332 S336	A65-L334 HydrophobicContact CB-CB 3.71Å; H68-L334 HydrophobicContact CB-CD1 4.01Å; H68-L334 WeakPolarHBondContact ND1-CD1 3.49Å; D69-L334 PolarHBondContact OD1-N 3.46Å; D69-L334 PolarHBondContact OD2-N 3.03Å; L112-L334 HydrophobicContact CD2-CD1 3.8Å; Y115-L334 HydrophobicContact CD1-CD1 4.1Å; Y115-L334 HydrophobicContact CE1-CD1 4.15Å; Y115-L334 HydrophobicContact CE1-CD2 4.19Å; Y115-L334 HydrophobicContact CG-CD1 4.34Å; L330-L334 HydrophobicContact CD1-CD2 3.71Å; L330-L334 HydrophobicContact CD2-CD2 3.88Å; L330-L334 HydrophobicContact CG-CD2 3.71Å; F332-L334 HydrophobicContact CD1-CD2 3.85Å; F332-L334 HydrophobicContact CD1-CG 3.83Å; F332-L334 HydrophobicContact CE1-CD1 4.33Å; F332-L334 HydrophobicContact CE1-CD2 3.68Å; F332-L334 HydrophobicContact CE1-CG 3.89Å; L334-S336 PolarHBondContact O-N 3.42Å
335	S	83.9	Confident	83.5	Confident	4 Å²	4	70.7 Å²	70.7	3%	0.028	39%	0.392	C	S	.	.			trans	-73.5	120.6	178.7	176.2	0	0	0	0	110.6	E62 D69 S337 N338	E62-S335 WeakPolarHBondContact OE1-CB 3.41Å; E62-S335 PolarHBondContact OE1-OG 3.08Å; D69-S335 WeakPolarHBondContact OD2-CB 3.46Å; D69-S335 PolarHBondContact OD2-N 3.25Å; S335-S337 VanDerWaalsContact C-N 3.28Å; S335-S337 PolarHBondContact OG-N 2.91Å; S335-S337 PolarHBondContact OG-OG 3.42Å; S335-N338 VanDerWaalsContact OG-CB 3.26Å; S335-N338 WeakPolarHBondContact OG-CB 3.26Å; S335-N338 PolarHBondContact OG-N 3.47Å
336	S	74.7	Confident	83.3	Confident	119 Å²	119	70.1 Å²	70.1	83%	0.832	39%	0.39	S	S	*	.	S	Bend	trans	-75.5	-17	170.5	52.8	0	0	0	0	113.6	L334	L334-S336 PolarHBondContact O-N 3.42Å
337	S	71.4	Confident	83.3	Confident	90 Å²	90	64 Å²	64	63%	0.629	36%	0.364	S	S	*	.	S	Bend	trans	-96.3	-16	-176.8	40.7	0	0	0	0	114.1	E62 S335	E62-S337 PolarHBondContact OE1-OG 3.36Å; S335-S337 VanDerWaalsContact C-N 3.28Å; S335-S337 PolarHBondContact OG-N 2.91Å; S335-S337 PolarHBondContact OG-OG 3.42Å
338	N	64.9	Low	83.5	Confident	39 Å²	39	60.5 Å²	60.5	21%	0.209	35%	0.35	C	S	.	.			trans	-118.8	95.3	-168.6	-154.4	-14.7	0	0	0	112.3	S335 K340 Y342	S335-N338 VanDerWaalsContact OG-CB 3.26Å; S335-N338 WeakPolarHBondContact OG-CB 3.26Å; S335-N338 PolarHBondContact OG-N 3.47Å; N338-K340 WeakPolarHBondContact OD1-CB 3.19Å; N338-K340 PolarHBondContact OD1-N 3.08Å; N338-Y342 PolarHBondContact ND2-OH 3.41Å
339	T	68.4	Low	83.7	Confident	137 Å²	137	58.8 Å²	58.8	84%	0.84	34%	0.337	S	S	*	.			trans	-97.8	8.8	175.1	54.8	0	0	0	0	112.8
340	K	82.5	Confident	83.8	Confident	95 Å²	95	55.5 Å²	55.5	41%	0.413	32%	0.319	S	S	.	.			trans	-69.9	130.4	-179.5	-173.9	-177.2	173.5	-169.7	0	110.2	E42 Q73 N338 Y342	E42-K340 IonicContact OE1-NZ 3.06Å; E42-K340 IonicContact OE2-NZ 3.71Å; E42-K340 PolarHBondContact OE2-NZ 3.14Å; Q73-K340 PolarHBondContact NE2-O 3.07Å; N338-K340 WeakPolarHBondContact OD1-CB 3.19Å; N338-K340 PolarHBondContact OD1-N 3.08Å; K340-Y342 HydrophobicContact CD-CD1 4.14Å; K340-Y342 HydrophobicContact CD-CE1 3.79Å; K340-Y342 HydrophobicContact CG-CE1 4.49Å
341	D	84.7	Confident	84	Confident	42 Å²	42	54.2 Å²	54.2	23%	0.225	31%	0.312	C	S	.	.			trans	-86	106.9	165.7	-173.5	0.4	0	0	0	108.6	Q73 R77 F343 E344	Q73-D341 PolarHBondContact OE1-OD1 2.96Å; R77-D341 IonicContact CZ-OD1 2.89Å; R77-D341 IonicContact NH1-OD1 2.71Å; R77-D341 IonicContact NH2-OD1 3.03Å; R77-D341 PolarHBondContact NH2-OD1 3.45Å; R77-D341 IonicContact NH2-OD2 3.78Å; R77-D341 PolarHBondContact NH2-OD2 3.37Å; D341-F343 PolarHBondContact O-N 3.11Å; D341-F343 PolarHBondContact OD1-N 3.27Å; D341-F343 VanDerWaalsContact OD1-N 3.08Å; D341-E344 HydrophobicContact CB-CB 4.49Å; D341-E344 PolarHBondContact OD1-N 3.5Å
342	Y	86.6	Confident	84.1	Confident	11 Å²	11	50.8 Å²	50.8	4%	0.043	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.8	-179.7	-66.2	-82.1	0	0	0	112.3	S39 E42 M46 A70 N338 K340	S39-Y342 WeakPolarHBondContact CB-O 3.38Å; S39-Y342 PolarHBondContact OG-O 2.97Å; E42-Y342 HydrophobicContact CG-CE1 4.37Å; E42-Y342 WeakPolarHBondContact OE2-CE1 3.33Å; M46-Y342 HydrophobicContact CE-CE1 3.56Å; M46-Y342 HydrophobicContact CE-CE2 4.45Å; M46-Y342 VanDerWaalsContact CE-CZ 3.46Å; M46-Y342 WeakPolarHBondContact CE-OH 3.48Å; A70-Y342 HydrophobicContact CB-CD2 3.72Å; A70-Y342 HydrophobicContact CB-CE2 3.9Å; A70-Y342 HydrophobicContact CB-CG 4.39Å; N338-Y342 PolarHBondContact ND2-OH 3.41Å; K340-Y342 HydrophobicContact CD-CD1 4.14Å; K340-Y342 HydrophobicContact CD-CE1 3.79Å; K340-Y342 HydrophobicContact CG-CE1 4.49Å
343	F	89.5	Confident	84.2	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	40.5	-169.6	-57.7	-69.9	0	0	0	110.9	L40 L43 A70 Q73 L74 R77 D341 N345 L346	L40-F343 HydrophobicContact CD2-CE1 3.88Å; L40-F343 HydrophobicContact CD2-CZ 4.39Å; L43-F343 HydrophobicContact CD2-CZ 4.2Å; A70-F343 WeakPolarHBondContact O-CE2 3.39Å; Q73-F343 HydrophobicContact CB-CD2 4.17Å; L74-F343 HydrophobicContact CB-CD2 3.98Å; L74-F343 HydrophobicContact CB-CE2 3.71Å; L74-F343 HydrophobicContact CB-CZ 4.2Å; L74-F343 HydrophobicContact CD1-CD1 3.96Å; L74-F343 HydrophobicContact CD1-CD2 4.23Å; L74-F343 HydrophobicContact CD1-CE1 3.96Å; L74-F343 HydrophobicContact CD1-CE2 4.22Å; L74-F343 HydrophobicContact CD1-CG 4.11Å; L74-F343 HydrophobicContact CD1-CZ 4.09Å; L74-F343 HydrophobicContact CD2-CE2 4.46Å; L74-F343 HydrophobicContact CD2-CZ 4.12Å; L74-F343 HydrophobicContact CG-CE2 4.35Å; L74-F343 HydrophobicContact CG-CZ 4.37Å; R77-F343 PolarHBondContact NE-O 2.88Å; R77-F343 VanDerWaalsContact NE-O 3.11Å; D341-F343 PolarHBondContact O-N 3.11Å; D341-F343 PolarHBondContact OD1-N 3.27Å; D341-F343 VanDerWaalsContact OD1-N 3.08Å; F343-N345 PolarHBondContact O-N 2.93Å; F343-L346 HydrophobicContact CB-CB 4.25Å; F343-L346 HydrophobicContact CB-CD1 4.04Å; F343-L346 HydrophobicContact CB-CG 4.25Å; F343-L346 HydrophobicContact CD1-CD1 3.93Å; F343-L346 HydrophobicContact CG-CD1 4.27Å; F343-L346 WeakPolarHBondContact O-CB 3.41Å; F343-L346 PolarHBondContact O-N 3.35Å
344	E	85.8	Confident	84.4	Confident	141 Å²	141	48.5 Å²	48.5	66%	0.659	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.8	177.7	66.3	179.6	174.4	0	0	113.1	D341 L346	D341-E344 HydrophobicContact CB-CB 4.49Å; D341-E344 PolarHBondContact OD1-N 3.5Å; E344-L346 PolarHBondContact O-N 3.2Å
345	N	86.1	Confident	84.5	Confident	84 Å²	84	48.4 Å²	48.4	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.8	177.8	-64.8	-41.6	0	0	0	113.3	F343	F343-N345 PolarHBondContact O-N 2.93Å
346	L	90.5	Very high	84.8	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	29%	0.287	C	S	.	.	S	Bend	trans	-107.5	116.6	-178.7	-59.7	-174.3	0	0	0	109.7	I24 Y28 T32 L74 R77 F343 E344	I24-L346 HydrophobicContact CD1-CD1 3.85Å; I24-L346 HydrophobicContact CG1-CD1 4.12Å; I24-L346 HydrophobicContact CG2-CD2 3.76Å; Y28-L346 HydrophobicContact CD2-CD2 3.85Å; Y28-L346 HydrophobicContact CE2-CD2 4.1Å; Y28-L346 HydrophobicContact CG-CD2 4.13Å; T32-L346 HydrophobicContact CG2-CD2 3.61Å; L74-L346 HydrophobicContact CD1-CD1 3.96Å; R77-L346 HydrophobicContact CB-CB 4.1Å; R77-L346 WeakPolarHBondContact CD-O 3.48Å; R77-L346 HydrophobicContact CG-CB 4.14Å; R77-L346 PolarHBondContact NE-O 2.95Å; F343-L346 HydrophobicContact CB-CB 4.25Å; F343-L346 HydrophobicContact CB-CD1 4.04Å; F343-L346 HydrophobicContact CB-CG 4.25Å; F343-L346 HydrophobicContact CD1-CD1 3.93Å; F343-L346 HydrophobicContact CG-CD1 4.27Å; F343-L346 WeakPolarHBondContact O-CB 3.41Å; F343-L346 PolarHBondContact O-N 3.35Å; E344-L346 PolarHBondContact O-N 3.2Å
347	L	88.8	Confident	85.5	Confident	38 Å²	38	48 Å²	48	20%	0.199	27%	0.266	C	S	.	.			trans	-70.3	130.5	177.8	-166.4	70.3	0	0	0	110.1	Y28 V351 T352 V575 L579	Y28-L347 PolarHBondContact OH-O 3.4Å; L347-V351 HydrophobicContact CD1-CB 4.15Å; L347-V351 HydrophobicContact CD1-CG1 3.81Å; L347-V351 HydrophobicContact CD2-CB 4.36Å; L347-V351 HydrophobicContact CD2-CG1 4.07Å; L347-V351 HydrophobicContact CG-CB 4.03Å; L347-V351 HydrophobicContact CG-CG1 4.05Å; L347-T352 WeakPolarHBondContact CD2-OG1 3.35Å; L347-V575 HydrophobicContact CD1-CG1 3.5Å; L347-V575 VanDerWaalsContact CD1-CG1 3.5Å; L347-V575 HydrophobicContact CD2-CG1 4Å; L347-V575 HydrophobicContact CG-CG1 4.44Å; L347-L579 HydrophobicContact CD1-CD1 3.59Å; L347-L579 HydrophobicContact CD1-CD2 3.76Å; L347-L579 HydrophobicContact CD1-CG 3.66Å
348	P	89.8	Confident	86.6	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.039	24%	0.237	C	C	.	.			trans	-53.6	146.9	173.8	-26	34.9	0	0	0	112.1	A350 V351 T352 L579 Y582	P348-A350 VanDerWaalsContact C-N 3.3Å; P348-A350 PolarHBondContact O-N 2.98Å; P348-V351 HydrophobicContact CB-CG2 4.24Å; P348-V351 HydrophobicContact CG-CG2 4.43Å; P348-V351 PolarHBondContact O-N 3.43Å; P348-V351 VanDerWaalsContact O-N 3.09Å; P348-T352 PolarHBondContact O-N 2.87Å; P348-T352 PolarHBondContact O-OG1 2.99Å; P348-L579 HydrophobicContact CG-CD2 4.11Å; P348-Y582 HydrophobicContact CB-CE1 3.99Å; P348-Y582 HydrophobicContact CB-CE2 4.44Å; P348-Y582 HydrophobicContact CG-CD1 4.21Å; P348-Y582 HydrophobicContact CG-CE1 3.81Å
349	M	87.1	Confident	87.8	Confident	42 Å²	42	47.7 Å²	47.7	21%	0.207	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-41.9	-177.6	-78.4	-56.2	-53.4	0	0	111.9	Q27 G76 N79 V351 T352 E353	Q27-M349 PolarHBondContact NE2-SD 3.32Å; G76-M349 PolarHBondContact O-N 2.98Å; N79-M349 HydrophobicContact CB-CE 4.19Å; N79-M349 HydrophobicContact CB-SD 4.32Å; M349-V351 VanDerWaalsContact C-N 3.27Å; M349-V351 PolarHBondContact O-N 3.08Å; M349-T352 PolarHBondContact O-N 3.02Å; M349-E353 WeakPolarHBondContact O-CB 3.11Å; M349-E353 PolarHBondContact O-N 3.49Å
350	A	88.1	Confident	88.8	Confident	37 Å²	37	43.1 Å²	43.1	31%	0.306	23%	0.233	S	C	.	.	H	α-helix	trans	-56.7	-43.8	176.5	0	0	0	0	0	111.2	P348 E353 A354 Y582 I589	P348-A350 VanDerWaalsContact C-N 3.3Å; P348-A350 PolarHBondContact O-N 2.98Å; A350-E353 PolarHBondContact O-N 3.49Å; A350-A354 WeakPolarHBondContact O-CB 3.1Å; A350-A354 PolarHBondContact O-N 3.46Å; A350-Y582 HydrophobicContact CB-CD2 4.35Å; A350-Y582 HydrophobicContact CB-CE2 3.89Å; A350-I589 HydrophobicContact CB-CD1 3.51Å; A350-I589 HydrophobicContact CB-CG1 4.32Å; A350-I589 WeakPolarHBondContact O-CD1 3.38Å
351	V	91.4	Very high	89.2	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.7	-38.3	-179.1	-176.2	0	0	0	0	111	L347 P348 M349 E353 A354 V355 L578 L579 Y582 I589	L347-V351 HydrophobicContact CD1-CB 4.15Å; L347-V351 HydrophobicContact CD1-CG1 3.81Å; L347-V351 HydrophobicContact CD2-CB 4.36Å; L347-V351 HydrophobicContact CD2-CG1 4.07Å; L347-V351 HydrophobicContact CG-CB 4.03Å; L347-V351 HydrophobicContact CG-CG1 4.05Å; P348-V351 HydrophobicContact CB-CG2 4.24Å; P348-V351 HydrophobicContact CG-CG2 4.43Å; P348-V351 PolarHBondContact O-N 3.43Å; P348-V351 VanDerWaalsContact O-N 3.09Å; M349-V351 VanDerWaalsContact C-N 3.27Å; M349-V351 PolarHBondContact O-N 3.08Å; V351-E353 VanDerWaalsContact C-N 3.33Å; V351-E353 PolarHBondContact O-N 3.12Å; V351-A354 PolarHBondContact O-N 3.23Å; V351-V355 HydrophobicContact CG1-CG2 4.45Å; V351-V355 VanDerWaalsContact O-CG2 3.24Å; V351-V355 WeakPolarHBondContact O-CG2 3.41Å; V351-V355 PolarHBondContact O-N 2.92Å; V351-L578 HydrophobicContact CG1-CB 3.85Å; V351-L579 HydrophobicContact CG1-CG 4.3Å; V351-L579 HydrophobicContact CG2-CD2 4.23Å; V351-Y582 HydrophobicContact CG2-CD2 4.05Å; V351-Y582 HydrophobicContact CG2-CG 3.92Å; V351-I589 VanDerWaalsContact CA-CD1 3.48Å; V351-I589 HydrophobicContact CB-CD1 4.18Å; V351-I589 HydrophobicContact CG2-CD1 3.67Å; V351-I589 HydrophobicContact CG2-CG1 4.48Å; V351-I589 VanDerWaalsContact N-CD1 3.28Å
352	T	88.7	Confident	89.7	Confident	35 Å²	35	41.5 Å²	41.5	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-44.8	174.2	-52	0	0	0	0	111.1	L347 P348 M349 V355 N356	L347-T352 WeakPolarHBondContact CD2-OG1 3.35Å; P348-T352 PolarHBondContact O-N 2.87Å; P348-T352 PolarHBondContact O-OG1 2.99Å; M349-T352 PolarHBondContact O-N 3.02Å; T352-V355 PolarHBondContact O-N 3.43Å; T352-N356 VanDerWaalsContact O-CG 3.29Å; T352-N356 PolarHBondContact O-N 3.17Å; T352-N356 PolarHBondContact O-ND2 3.34Å
353	E	88.2	Confident	89.9	Confident	68 Å²	68	42.4 Å²	42.4	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-44.4	176.2	-175	174.4	-173.5	0	0	111.5	M349 A350 V351 V355 N356 T357 P784	M349-E353 WeakPolarHBondContact O-CB 3.11Å; M349-E353 PolarHBondContact O-N 3.49Å; A350-E353 PolarHBondContact O-N 3.49Å; V351-E353 VanDerWaalsContact C-N 3.33Å; V351-E353 PolarHBondContact O-N 3.12Å; E353-V355 VanDerWaalsContact C-N 3.34Å; E353-V355 PolarHBondContact O-N 3.26Å; E353-N356 PolarHBondContact O-N 3.08Å; E353-N356 VanDerWaalsContact O-N 3.16Å; E353-T357 WeakPolarHBondContact O-CB 3.41Å; E353-T357 PolarHBondContact O-N 3.36Å; E353-T357 PolarHBondContact O-OG1 3.19Å; E353-T357 VanDerWaalsContact O-OG1 3.06Å; E353-P784 HydrophobicContact CG-CB 4.25Å
354	A	91.6	Very high	90	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-41.7	176.6	0	0	0	0	0	112.5	A350 V351 N356 T357 A358 L578 I589	A350-A354 WeakPolarHBondContact O-CB 3.1Å; A350-A354 PolarHBondContact O-N 3.46Å; V351-A354 PolarHBondContact O-N 3.23Å; A354-N356 VanDerWaalsContact C-N 3.34Å; A354-N356 PolarHBondContact O-N 2.96Å; A354-T357 PolarHBondContact O-N 2.89Å; A354-A358 VanDerWaalsContact O-CB 3.27Å; A354-A358 WeakPolarHBondContact O-CB 3.39Å; A354-A358 PolarHBondContact O-N 3.44Å; A354-L578 HydrophobicContact CB-CD1 4.31Å; A354-I589 HydrophobicContact CB-CD1 3.93Å; A354-I589 HydrophobicContact CB-CG2 3.71Å
355	V	91.8	Very high	90.3	Very high	19 Å²	19	41.6 Å²	41.6	12%	0.115	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-40.8	175.3	171.2	0	0	0	0	111.1	V351 T352 E353 A358 K359 V575 L578	V351-V355 HydrophobicContact CG1-CG2 4.45Å; V351-V355 VanDerWaalsContact O-CG2 3.24Å; V351-V355 WeakPolarHBondContact O-CG2 3.41Å; V351-V355 PolarHBondContact O-N 2.92Å; T352-V355 PolarHBondContact O-N 3.43Å; E353-V355 VanDerWaalsContact C-N 3.34Å; E353-V355 PolarHBondContact O-N 3.26Å; V355-A358 PolarHBondContact O-N 3.04Å; V355-K359 WeakPolarHBondContact O-CG 3.35Å; V355-K359 PolarHBondContact O-N 3.11Å; V355-V575 HydrophobicContact CG2-CG2 4.05Å; V355-L578 HydrophobicContact CG2-CD1 3.86Å
356	N	89.3	Confident	90.6	Very high	51 Å²	51	37.9 Å²	37.9	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-68.1	-42.6	178	-72	-26.1	0	0	0	112	T352 E353 A354 A358 K359 G360 P788	T352-N356 VanDerWaalsContact O-CG 3.29Å; T352-N356 PolarHBondContact O-N 3.17Å; T352-N356 PolarHBondContact O-ND2 3.34Å; E353-N356 PolarHBondContact O-N 3.08Å; E353-N356 VanDerWaalsContact O-N 3.16Å; A354-N356 VanDerWaalsContact C-N 3.34Å; A354-N356 PolarHBondContact O-N 2.96Å; N356-A358 VanDerWaalsContact C-N 3.33Å; N356-A358 PolarHBondContact O-N 3.34Å; N356-K359 WeakPolarHBondContact O-CB 3.45Å; N356-K359 PolarHBondContact O-N 3.43Å; N356-G360 PolarHBondContact O-N 2.93Å; N356-G360 VanDerWaalsContact O-N 3.14Å; N356-P788 HydrophobicContact CB-CB 3.98Å; N356-P788 HydrophobicContact CB-CG 3.85Å
357	T	91.2	Very high	90.6	Very high	64 Å²	64	40.7 Å²	40.7	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-43.4	173.8	-60.6	0	0	0	0	110.8	E353 A354 K359 G360 V361 L591	E353-T357 WeakPolarHBondContact O-CB 3.41Å; E353-T357 PolarHBondContact O-N 3.36Å; E353-T357 PolarHBondContact O-OG1 3.19Å; E353-T357 VanDerWaalsContact O-OG1 3.06Å; A354-T357 PolarHBondContact O-N 2.89Å; T357-K359 PolarHBondContact O-N 3.24Å; T357-G360 WeakPolarHBondContact O-CA 3.49Å; T357-G360 PolarHBondContact O-N 2.81Å; T357-G360 VanDerWaalsContact O-N 3.08Å; T357-V361 WeakPolarHBondContact O-CG2 3.48Å; T357-V361 PolarHBondContact O-N 2.88Å; T357-L591 HydrophobicContact CG2-CD1 4.46Å; T357-L591 HydrophobicContact CG2-CD2 3.61Å
358	A	92.7	Very high	90.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-45.8	175	0	0	0	0	0	111.7	A354 V355 N356 G360 V361 R362 Y570 L574 A594	A354-A358 VanDerWaalsContact O-CB 3.27Å; A354-A358 WeakPolarHBondContact O-CB 3.39Å; A354-A358 PolarHBondContact O-N 3.44Å; V355-A358 PolarHBondContact O-N 3.04Å; N356-A358 VanDerWaalsContact C-N 3.33Å; N356-A358 PolarHBondContact O-N 3.34Å; A358-G360 VanDerWaalsContact C-N 3.26Å; A358-G360 PolarHBondContact O-N 3.32Å; A358-V361 PolarHBondContact O-N 3.09Å; A358-V361 VanDerWaalsContact O-N 3.1Å; A358-R362 PolarHBondContact O-N 2.98Å; A358-Y570 HydrophobicContact CB-CE1 4.46Å; A358-Y570 HydrophobicContact CB-CE2 3.95Å; A358-Y570 WeakPolarHBondContact O-CE2 3.39Å; A358-Y570 PolarHBondContact O-OH 3.03Å; A358-L574 HydrophobicContact CB-CD2 4.39Å; A358-A594 HydrophobicContact CB-CB 3.7Å
359	K	91.6	Very high	91.1	Very high	121 Å²	121	43.1 Å²	43.1	53%	0.526	26%	0.255	S	S	.	.	H	α-helix	trans	-56.7	-39.1	174	-72.4	174.4	179.9	179.5	0	112.8	V355 N356 T357 R362 A363	V355-K359 WeakPolarHBondContact O-CG 3.35Å; V355-K359 PolarHBondContact O-N 3.11Å; N356-K359 WeakPolarHBondContact O-CB 3.45Å; N356-K359 PolarHBondContact O-N 3.43Å; T357-K359 PolarHBondContact O-N 3.24Å; K359-R362 PolarHBondContact O-N 2.89Å; K359-A363 PolarHBondContact O-N 3.47Å
360	G	89.5	Confident	91.4	Very high	42 Å²	42	41.6 Å²	41.6	43%	0.433	25%	0.248	S	C	.	.	H	α-helix	trans	-64.2	-44.6	174	0	0	0	0	0	112.9	N356 T357 A358 R362 A363 S364	N356-G360 PolarHBondContact O-N 2.93Å; N356-G360 VanDerWaalsContact O-N 3.14Å; T357-G360 WeakPolarHBondContact O-CA 3.49Å; T357-G360 PolarHBondContact O-N 2.81Å; T357-G360 VanDerWaalsContact O-N 3.08Å; A358-G360 VanDerWaalsContact C-N 3.26Å; A358-G360 PolarHBondContact O-N 3.32Å; G360-R362 VanDerWaalsContact C-N 3.35Å; G360-R362 PolarHBondContact O-N 3.47Å; G360-A363 PolarHBondContact O-N 3.39Å; G360-S364 PolarHBondContact O-N 3.26Å
361	V	91.1	Very high	91.5	Very high	49 Å²	49	42.2 Å²	42.2	30%	0.297	25%	0.25	S	C	.	.	H	α-helix	trans	-60.4	-44.1	175.2	172.7	0	0	0	0	111	T357 A358 S364 L365	T357-V361 WeakPolarHBondContact O-CG2 3.48Å; T357-V361 PolarHBondContact O-N 2.88Å; A358-V361 PolarHBondContact O-N 3.09Å; A358-V361 VanDerWaalsContact O-N 3.1Å; V361-S364 PolarHBondContact O-N 3.07Å; V361-L365 HydrophobicContact CG1-CD1 3.84Å; V361-L365 HydrophobicContact CG1-CG 4.41Å; V361-L365 WeakPolarHBondContact O-CB 3.4Å; V361-L365 WeakPolarHBondContact O-CG 3.25Å; V361-L365 PolarHBondContact O-N 3.49Å
362	R	94	Very high	91.7	Very high	54 Å²	54	46.1 Å²	46.1	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-56	-52.6	174.7	173.8	-171.4	170.5	-97.5	-1.2	111.8	A358 K359 G360 S364 L365 I366 K566 V568 D569 Y570 L598	A358-R362 PolarHBondContact O-N 2.98Å; K359-R362 PolarHBondContact O-N 2.89Å; G360-R362 VanDerWaalsContact C-N 3.35Å; G360-R362 PolarHBondContact O-N 3.47Å; R362-S364 VanDerWaalsContact C-N 3.34Å; R362-S364 PolarHBondContact O-N 3.22Å; R362-L365 PolarHBondContact O-N 2.95Å; R362-I366 HydrophobicContact CG-CD1 3.69Å; R362-I366 HydrophobicContact CG-CG1 4.45Å; R362-I366 WeakPolarHBondContact O-CG1 3.45Å; R362-I366 PolarHBondContact O-N 3.45Å; R362-K566 PolarHBondContact NH2-O 3Å; R362-V568 PolarHBondContact NE-O 3.45Å; R362-V568 PolarHBondContact NH2-O 3.49Å; R362-D569 VanDerWaalsContact CD-OD1 3.25Å; R362-D569 WeakPolarHBondContact CD-OD1 3.49Å; R362-D569 IonicContact CZ-OD1 3.08Å; R362-D569 IonicContact NE-OD1 2.72Å; R362-D569 PolarHBondContact NE-OD1 3.18Å; R362-Y570 HydrophobicContact CB-CE2 3.69Å; R362-Y570 HydrophobicContact CG-CE2 4.41Å; R362-L598 HydrophobicContact CB-CD2 3.86Å; R362-L598 HydrophobicContact CG-CD1 4.17Å; R362-L598 HydrophobicContact CG-CD2 4.24Å
363	A	90.7	Very high	92	Very high	30 Å²	30	44.4 Å²	44.4	25%	0.248	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-50.9	-179.7	0	0	0	0	0	110.5	K359 G360 L365 I366 D367	K359-A363 PolarHBondContact O-N 3.47Å; G360-A363 PolarHBondContact O-N 3.39Å; A363-L365 PolarHBondContact O-N 3Å; A363-I366 PolarHBondContact O-N 3.06Å; A363-D367 WeakPolarHBondContact O-CB 3.42Å; A363-D367 PolarHBondContact O-N 3.38Å; A363-D367 VanDerWaalsContact O-OD2 3.14Å
364	S	91	Very high	92.1	Very high	81 Å²	81	44.8 Å²	44.8	57%	0.566	25%	0.252	S	S	*	.	H	α-helix	trans	-58.5	-42.1	179.4	179.9	0	0	0	0	113.6	G360 V361 R362 S368	G360-S364 PolarHBondContact O-N 3.26Å; V361-S364 PolarHBondContact O-N 3.07Å; R362-S364 VanDerWaalsContact C-N 3.34Å; R362-S364 PolarHBondContact O-N 3.22Å; S364-S368 WeakPolarHBondContact O-CB 3.43Å; S364-S368 PolarHBondContact O-N 3.33Å
365	L	92.2	Very high	92	Very high	43 Å²	43	46.4 Å²	46.4	23%	0.225	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-44.6	178.7	-77.1	171.3	0	0	0	112.2	V361 R362 A363 S368 E369 L598 M602	V361-L365 HydrophobicContact CG1-CD1 3.84Å; V361-L365 HydrophobicContact CG1-CG 4.41Å; V361-L365 WeakPolarHBondContact O-CB 3.4Å; V361-L365 WeakPolarHBondContact O-CG 3.25Å; V361-L365 PolarHBondContact O-N 3.49Å; R362-L365 PolarHBondContact O-N 2.95Å; A363-L365 PolarHBondContact O-N 3Å; L365-S368 PolarHBondContact O-N 3.28Å; L365-E369 WeakPolarHBondContact O-CG 3.43Å; L365-E369 PolarHBondContact O-N 3.44Å; L365-L598 HydrophobicContact CD1-CD2 3.74Å; L365-M602 HydrophobicContact CB-CE 4.38Å; L365-M602 HydrophobicContact CB-SD 4.26Å
366	I	94	Very high	92.1	Very high	7 Å²	7	46 Å²	46	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-46.3	177.4	-70.5	173.8	0	0	0	110.2	R362 A363 S368 E369 I370 L565 V568	R362-I366 HydrophobicContact CG-CD1 3.69Å; R362-I366 HydrophobicContact CG-CG1 4.45Å; R362-I366 WeakPolarHBondContact O-CG1 3.45Å; R362-I366 PolarHBondContact O-N 3.45Å; A363-I366 PolarHBondContact O-N 3.06Å; I366-S368 VanDerWaalsContact C-N 3.31Å; I366-S368 PolarHBondContact O-N 2.98Å; I366-E369 PolarHBondContact O-N 3.4Å; I366-E369 VanDerWaalsContact O-N 3.15Å; I366-I370 HydrophobicContact CG2-CD1 3.74Å; I366-I370 HydrophobicContact CG2-CG1 4.32Å; I366-I370 WeakPolarHBondContact O-CG1 3.49Å; I366-I370 PolarHBondContact O-N 3.07Å; I366-L565 WeakPolarHBondContact CD1-O 3.02Å; I366-L565 HydrophobicContact CG2-CB 4.32Å; I366-V568 HydrophobicContact CD1-CB 4.41Å; I366-V568 WeakPolarHBondContact CD1-O 3.2Å
367	D	90.1	Very high	92.2	Very high	60 Å²	60	44.6 Å²	44.6	32%	0.321	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-37.5	-179	-69.1	-27	0	0	0	111.9	A363 I370 C371	A363-D367 WeakPolarHBondContact O-CB 3.42Å; A363-D367 PolarHBondContact O-N 3.38Å; A363-D367 VanDerWaalsContact O-OD2 3.14Å; D367-I370 PolarHBondContact O-N 3.26Å; D367-C371 VanDerWaalsContact O-CB 3.28Å; D367-C371 WeakPolarHBondContact O-CB 3.24Å; D367-C371 PolarHBondContact O-N 2.87Å
368	S	93.4	Very high	92	Very high	76 Å²	76	44.7 Å²	44.7	53%	0.531	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-44.6	173.8	-177.1	0	0	0	0	112	S364 L365 I366 C371 R372	S364-S368 WeakPolarHBondContact O-CB 3.43Å; S364-S368 PolarHBondContact O-N 3.33Å; L365-S368 PolarHBondContact O-N 3.28Å; I366-S368 VanDerWaalsContact C-N 3.31Å; I366-S368 PolarHBondContact O-N 2.98Å; S368-C371 PolarHBondContact O-N 3.16Å; S368-R372 PolarHBondContact O-N 3.46Å
369	E	94.5	Very high	91.9	Very high	19 Å²	19	50.4 Å²	50.4	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-68.5	-40.6	177.9	-64.9	-68.1	-178.7	0	0	112.2	L365 I366 C371 R372 L373 L565 M602 R606 I609	L365-E369 WeakPolarHBondContact O-CG 3.43Å; L365-E369 PolarHBondContact O-N 3.44Å; I366-E369 PolarHBondContact O-N 3.4Å; I366-E369 VanDerWaalsContact O-N 3.15Å; E369-C371 VanDerWaalsContact C-N 3.33Å; E369-C371 PolarHBondContact O-N 3.38Å; E369-R372 WeakPolarHBondContact O-CB 3.27Å; E369-R372 PolarHBondContact O-N 3.4Å; E369-R372 IonicContact OE1-NH2 2.71Å; E369-R372 IonicContact OE2-CZ 3.22Å; E369-R372 IonicContact OE2-NE 3.99Å; E369-R372 PolarHBondContact OE2-NE 3.14Å; E369-R372 IonicContact OE2-NH2 3.79Å; E369-R372 PolarHBondContact OE2-NH2 3.23Å; E369-L373 PolarHBondContact O-N 3.29Å; E369-L565 HydrophobicContact CB-CD1 3.68Å; E369-L565 HydrophobicContact CB-CD2 4.08Å; E369-L565 HydrophobicContact CG-CD2 4.45Å; E369-M602 HydrophobicContact CG-CE 3.96Å; E369-R606 IonicContact OE1-CZ 2.92Å; E369-R606 IonicContact OE1-NE 3.97Å; E369-R606 PolarHBondContact OE1-NE 2.87Å; E369-R606 IonicContact OE1-NH2 3.94Å; E369-I609 HydrophobicContact CB-CD1 4.41Å
370	I	93.7	Very high	91.9	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-43.5	174.1	-67.5	174.3	0	0	0	110.2	I366 D367 R372 L373 R374 I562 L565 K566	I366-I370 HydrophobicContact CG2-CD1 3.74Å; I366-I370 HydrophobicContact CG2-CG1 4.32Å; I366-I370 WeakPolarHBondContact O-CG1 3.49Å; I366-I370 PolarHBondContact O-N 3.07Å; D367-I370 PolarHBondContact O-N 3.26Å; I370-R372 VanDerWaalsContact C-N 3.31Å; I370-R372 PolarHBondContact O-N 2.9Å; I370-L373 PolarHBondContact O-N 3.32Å; I370-R374 HydrophobicContact CG2-CG 4.39Å; I370-R374 WeakPolarHBondContact O-CG 3.49Å; I370-R374 PolarHBondContact O-N 2.96Å; I370-I562 HydrophobicContact CD1-CG2 4.25Å; I370-I562 HydrophobicContact CG1-CG1 4.44Å; I370-I562 HydrophobicContact CG1-CG2 4.24Å; I370-I562 HydrophobicContact CG2-CD1 4.43Å; I370-I562 HydrophobicContact CG2-CG1 4.38Å; I370-I562 HydrophobicContact CG2-CG2 4.36Å; I370-L565 HydrophobicContact CG1-CB 4.44Å; I370-L565 HydrophobicContact CG1-CD1 3.93Å; I370-K566 HydrophobicContact CD1-CG 4.1Å
371	C	91.5	Very high	91.7	Very high	50 Å²	50	44 Å²	44	34%	0.338	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-41	176.6	-172.3	0	0	0	0	111.4	D367 S368 E369 R374 G375	D367-C371 VanDerWaalsContact O-CB 3.28Å; D367-C371 WeakPolarHBondContact O-CB 3.24Å; D367-C371 PolarHBondContact O-N 2.87Å; S368-C371 PolarHBondContact O-N 3.16Å; E369-C371 VanDerWaalsContact C-N 3.33Å; E369-C371 PolarHBondContact O-N 3.38Å; C371-R374 PolarHBondContact O-N 3.01Å; C371-G375 PolarHBondContact O-N 2.92Å
372	R	94.4	Very high	91.5	Very high	81 Å²	81	47.6 Å²	47.6	31%	0.306	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-46.1	175.4	-173.9	172	70.3	124.3	-9	111.9	S368 E369 I370 A376 I609 L613	S368-R372 PolarHBondContact O-N 3.46Å; E369-R372 WeakPolarHBondContact O-CB 3.27Å; E369-R372 PolarHBondContact O-N 3.4Å; E369-R372 IonicContact OE1-NH2 2.71Å; E369-R372 IonicContact OE2-CZ 3.22Å; E369-R372 IonicContact OE2-NE 3.99Å; E369-R372 PolarHBondContact OE2-NE 3.14Å; E369-R372 IonicContact OE2-NH2 3.79Å; E369-R372 PolarHBondContact OE2-NH2 3.23Å; I370-R372 VanDerWaalsContact C-N 3.31Å; I370-R372 PolarHBondContact O-N 2.9Å; R372-A376 PolarHBondContact O-N 2.94Å; R372-I609 VanDerWaalsContact CZ-CG2 3.47Å; R372-L613 HydrophobicContact CG-CD1 4.28Å
373	L	95.4	Very high	91.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-45.2	176.9	-74.2	176.8	0	0	0	112.5	E369 I370 A376 S377 R558 L561 I562 L565 I609	E369-L373 PolarHBondContact O-N 3.29Å; I370-L373 PolarHBondContact O-N 3.32Å; L373-A376 WeakPolarHBondContact O-CB 3.27Å; L373-A376 PolarHBondContact O-N 3.05Å; L373-S377 PolarHBondContact O-N 3.41Å; L373-S377 VanDerWaalsContact O-N 3.12Å; L373-S377 PolarHBondContact O-OG 3.16Å; L373-R558 HydrophobicContact CD2-CG 4.04Å; L373-L561 HydrophobicContact CD1-CB 4Å; L373-I562 HydrophobicContact CB-CD1 4.34Å; L373-I562 HydrophobicContact CB-CG1 4.32Å; L373-I562 HydrophobicContact CD1-CG1 3.71Å; L373-L565 HydrophobicContact CD1-CD1 3.91Å; L373-I609 HydrophobicContact CD1-CD1 4.25Å; L373-I609 HydrophobicContact CD1-CG1 4.15Å; L373-I609 HydrophobicContact CD2-CB 4.43Å; L373-I609 HydrophobicContact CD2-CG1 4.22Å; L373-I609 HydrophobicContact CD2-CG2 3.59Å; L373-I609 HydrophobicContact CG-CG1 4.45Å; L373-I609 HydrophobicContact CG-CG2 4.16Å
374	R	89.7	Confident	90.9	Very high	75 Å²	75	44.6 Å²	44.6	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-46.1	177	-74.5	178.5	172.3	170	-2.6	111.4	I370 C371 A376 S377 T378 I562 E659	I370-R374 HydrophobicContact CG2-CG 4.39Å; I370-R374 WeakPolarHBondContact O-CG 3.49Å; I370-R374 PolarHBondContact O-N 2.96Å; C371-R374 PolarHBondContact O-N 3.01Å; R374-A376 VanDerWaalsContact C-N 3.29Å; R374-A376 PolarHBondContact O-N 3.46Å; R374-S377 WeakPolarHBondContact O-CB 3.47Å; R374-S377 PolarHBondContact O-N 3.49Å; R374-S377 VanDerWaalsContact O-N 3.1Å; R374-T378 PolarHBondContact O-N 2.95Å; R374-T378 PolarHBondContact O-OG1 3.06Å; R374-I562 HydrophobicContact CG-CD1 4.36Å; R374-E659 IonicContact CZ-OE2 3.15Å; R374-E659 IonicContact NE-OE2 3.33Å; R374-E659 IonicContact NH2-OE1 3.47Å; R374-E659 PolarHBondContact NH2-OE1 3.38Å; R374-E659 IonicContact NH2-OE2 2.94Å; R374-E659 PolarHBondContact NH2-OE2 2.46Å
375	G	91	Very high	90.4	Very high	40 Å²	40	41.1 Å²	41.1	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-60.3	-37.1	176.5	0	0	0	0	0	113	C371 T378 K379	C371-G375 PolarHBondContact O-N 2.92Å; G375-T378 PolarHBondContact O-N 3.28Å; G375-K379 PolarHBondContact O-N 3.23Å
376	A	93.4	Very high	90	Very high	10 Å²	10	42.4 Å²	42.4	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-41.1	173.8	0	0	0	0	0	112.1	R372 L373 R374 K379 V380 R558 L613 Q616	R372-A376 PolarHBondContact O-N 2.94Å; L373-A376 WeakPolarHBondContact O-CB 3.27Å; L373-A376 PolarHBondContact O-N 3.05Å; R374-A376 VanDerWaalsContact C-N 3.29Å; R374-A376 PolarHBondContact O-N 3.46Å; A376-K379 WeakPolarHBondContact O-CB 3.45Å; A376-K379 PolarHBondContact O-N 3.5Å; A376-V380 PolarHBondContact O-N 3.3Å; A376-V380 VanDerWaalsContact O-N 3.15Å; A376-R558 PolarHBondContact O-NH1 3.38Å; A376-L613 HydrophobicContact CB-CD2 3.39Å; A376-Q616 PolarHBondContact O-OE1 2.91Å
377	S	90.7	Very high	89.3	Confident	23 Å²	23	43.9 Å²	43.9	16%	0.161	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-40.5	175.7	-65.3	0	0	0	0	112.3	L373 R374 K379 V380 N381 R558	L373-S377 PolarHBondContact O-N 3.41Å; L373-S377 VanDerWaalsContact O-N 3.12Å; L373-S377 PolarHBondContact O-OG 3.16Å; R374-S377 WeakPolarHBondContact O-CB 3.47Å; R374-S377 PolarHBondContact O-N 3.49Å; R374-S377 VanDerWaalsContact O-N 3.1Å; S377-K379 VanDerWaalsContact C-N 3.3Å; S377-K379 PolarHBondContact O-N 3.21Å; S377-V380 PolarHBondContact O-N 3.33Å; S377-N381 PolarHBondContact O-N 2.85Å; S377-N381 VanDerWaalsContact O-N 3.12Å; S377-R558 WeakPolarHBondContact OG-CD 3.45Å; S377-R558 PolarHBondContact OG-NH1 3.29Å; S377-R558 VanDerWaalsContact OG-NH1 3.11Å
378	T	87.7	Confident	88.6	Confident	65 Å²	65	42.5 Å²	42.5	40%	0.399	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-43.9	172.9	-55.4	0	0	0	0	111.3	R374 G375 V380 N381 E382	R374-T378 PolarHBondContact O-N 2.95Å; R374-T378 PolarHBondContact O-OG1 3.06Å; G375-T378 PolarHBondContact O-N 3.28Å; T378-V380 VanDerWaalsContact C-N 3.34Å; T378-V380 PolarHBondContact O-N 3.22Å; T378-N381 WeakPolarHBondContact O-CB 3.2Å; T378-N381 PolarHBondContact O-N 3.27Å; T378-N381 VanDerWaalsContact O-N 3.12Å; T378-E382 HydrophobicContact CG2-CG 4.47Å; T378-E382 WeakPolarHBondContact O-CG 3.34Å; T378-E382 PolarHBondContact O-N 2.86Å
379	K	91.4	Very high	87.8	Confident	121 Å²	121	39 Å²	39	53%	0.526	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-38.9	178.2	-173.2	169.3	-179.4	178.9	0	112.9	G375 A376 S377 N381 E382 V383	G375-K379 PolarHBondContact O-N 3.23Å; A376-K379 WeakPolarHBondContact O-CB 3.45Å; A376-K379 PolarHBondContact O-N 3.5Å; S377-K379 VanDerWaalsContact C-N 3.3Å; S377-K379 PolarHBondContact O-N 3.21Å; K379-N381 VanDerWaalsContact C-N 3.33Å; K379-E382 PolarHBondContact O-N 2.66Å; K379-V383 VanDerWaalsContact O-CG2 3.3Å; K379-V383 WeakPolarHBondContact O-CG2 3.36Å; K379-V383 PolarHBondContact O-N 3.41Å; K379-V383 VanDerWaalsContact O-N 3.11Å
380	V	89.8	Confident	86.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-46.6	173.8	172.3	0	0	0	0	110.5	A376 S377 T378 E382 V383 L384 L551 K555 Q616 L620	A376-V380 PolarHBondContact O-N 3.3Å; A376-V380 VanDerWaalsContact O-N 3.15Å; S377-V380 PolarHBondContact O-N 3.33Å; T378-V380 VanDerWaalsContact C-N 3.34Å; T378-V380 PolarHBondContact O-N 3.22Å; V380-E382 VanDerWaalsContact C-N 3.33Å; V380-E382 PolarHBondContact O-N 3.03Å; V380-V383 PolarHBondContact O-N 3.08Å; V380-L384 HydrophobicContact CG1-CD1 3.81Å; V380-L384 HydrophobicContact CG1-CG 4.31Å; V380-L384 WeakPolarHBondContact O-CG 3.43Å; V380-L384 PolarHBondContact O-N 2.99Å; V380-L551 HydrophobicContact CG1-CB 4Å; V380-L551 HydrophobicContact CG1-CD1 4.43Å; V380-L551 HydrophobicContact CG1-CD2 4.26Å; V380-L551 HydrophobicContact CG1-CG 4.47Å; V380-L551 HydrophobicContact CG2-CD2 4.28Å; V380-K555 HydrophobicContact CB-CD 4.47Å; V380-K555 HydrophobicContact CG1-CD 4.07Å; V380-Q616 VanDerWaalsContact CG2-CD 3.41Å; V380-Q616 HydrophobicContact CG2-CG 3.64Å; V380-L620 HydrophobicContact CG2-CD1 4.32Å; V380-L620 HydrophobicContact CG2-CD2 4.4Å
381	N	86.3	Confident	85.4	Confident	28 Å²	28	38.9 Å²	38.9	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-40.3	179.7	-71.5	-3.6	0	0	0	111.8	S377 T378 K379 A385 K555 L649 D652	S377-N381 PolarHBondContact O-N 2.85Å; S377-N381 VanDerWaalsContact O-N 3.12Å; T378-N381 WeakPolarHBondContact O-CB 3.2Å; T378-N381 PolarHBondContact O-N 3.27Å; T378-N381 VanDerWaalsContact O-N 3.12Å; K379-N381 VanDerWaalsContact C-N 3.33Å; N381-A385 WeakPolarHBondContact O-CB 3.36Å; N381-A385 PolarHBondContact O-N 3.41Å; N381-K555 WeakPolarHBondContact OD1-CE 3.44Å; N381-K555 PolarHBondContact OD1-NZ 3.06Å; N381-L649 HydrophobicContact CB-CD2 3.91Å; N381-D652 PolarHBondContact ND2-OD2 3.46Å; N381-D652 PolarHBondContact OD1-OD2 3.11Å
382	E	86.3	Confident	84.2	Confident	126 Å²	126	38.3 Å²	38.3	59%	0.589	21%	0.211	S	C	*	.	H	α-helix	trans	-61.4	-45	175.8	-73	173.2	178	0	0	112.7	T378 K379 V380 A385 S386	T378-E382 HydrophobicContact CG2-CG 4.47Å; T378-E382 WeakPolarHBondContact O-CG 3.34Å; T378-E382 PolarHBondContact O-N 2.86Å; K379-E382 PolarHBondContact O-N 2.66Å; V380-E382 VanDerWaalsContact C-N 3.33Å; V380-E382 PolarHBondContact O-N 3.03Å; E382-A385 WeakPolarHBondContact O-CB 3.36Å; E382-A385 PolarHBondContact O-N 2.88Å; E382-S386 PolarHBondContact O-N 3.49Å; E382-S386 VanDerWaalsContact O-N 3.1Å
383	V	88	Confident	82.9	Confident	16 Å²	16	34.7 Å²	34.7	10%	0.097	20%	0.198	C	C	.	.	H	α-helix	trans	-70.1	-42.2	179.4	179.8	0	0	0	0	111.4	K379 V380 A385 S386 Y387 L620 L623 Q624	K379-V383 VanDerWaalsContact O-CG2 3.3Å; K379-V383 WeakPolarHBondContact O-CG2 3.36Å; K379-V383 PolarHBondContact O-N 3.41Å; K379-V383 VanDerWaalsContact O-N 3.11Å; V380-V383 PolarHBondContact O-N 3.08Å; V383-A385 VanDerWaalsContact C-N 3.27Å; V383-A385 PolarHBondContact O-N 3.39Å; V383-S386 PolarHBondContact O-N 3.25Å; V383-S386 PolarHBondContact O-OG 3.42Å; V383-Y387 HydrophobicContact CG1-CD2 4.38Å; V383-Y387 HydrophobicContact CG1-CE2 4.29Å; V383-Y387 WeakPolarHBondContact O-CD2 3.47Å; V383-L620 HydrophobicContact CB-CD2 4.05Å; V383-L620 HydrophobicContact CG1-CD2 4.08Å; V383-L620 HydrophobicContact CG2-CD1 4.48Å; V383-L620 HydrophobicContact CG2-CD2 4.35Å; V383-L623 HydrophobicContact CG1-CD2 3.96Å; V383-Q624 HydrophobicContact CG1-CG 4.17Å
384	L	84.7	Confident	81	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-41.2	175.1	-70.8	175	0	0	0	110.9	V380 S386 Y387 N388 L389 L551 L623	V380-L384 HydrophobicContact CG1-CD1 3.81Å; V380-L384 HydrophobicContact CG1-CG 4.31Å; V380-L384 WeakPolarHBondContact O-CG 3.43Å; V380-L384 PolarHBondContact O-N 2.99Å; L384-S386 VanDerWaalsContact C-N 3.32Å; L384-S386 PolarHBondContact O-N 2.97Å; L384-Y387 PolarHBondContact O-N 3.28Å; L384-N388 PolarHBondContact O-N 3.48Å; L384-L389 HydrophobicContact CD2-CB 4.02Å; L384-L389 PolarHBondContact O-N 3.24Å; L384-L551 HydrophobicContact CD2-CD1 4.09Å; L384-L623 HydrophobicContact CD2-CD1 4.17Å; L384-L623 HydrophobicContact CD2-CD2 3.93Å
385	A	81	Confident	79.1	Confident	7 Å²	7	36.6 Å²	36.6	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-34.4	177.1	0	0	0	0	0	113.6	N381 E382 V383 Y387 N388 L649	N381-A385 WeakPolarHBondContact O-CB 3.36Å; N381-A385 PolarHBondContact O-N 3.41Å; E382-A385 WeakPolarHBondContact O-CB 3.36Å; E382-A385 PolarHBondContact O-N 2.88Å; V383-A385 VanDerWaalsContact C-N 3.27Å; V383-A385 PolarHBondContact O-N 3.39Å; A385-Y387 VanDerWaalsContact C-N 3.3Å; A385-Y387 PolarHBondContact O-N 2.89Å; A385-N388 PolarHBondContact O-N 2.88Å; A385-L649 HydrophobicContact CB-CD1 3.46Å; A385-L649 VanDerWaalsContact CB-CD1 3.46Å; A385-L649 HydrophobicContact CB-CD2 4.08Å; A385-L649 HydrophobicContact CB-CG 4.35Å
386	S	83.9	Confident	76.9	Confident	70 Å²	70	41.1 Å²	41.1	49%	0.49	24%	0.238	S	C	.	.	H	α-helix	trans	-69.6	-28.1	-177.9	67.1	0	0	0	0	112.9	E382 V383 L384	E382-S386 PolarHBondContact O-N 3.49Å; E382-S386 VanDerWaalsContact O-N 3.1Å; V383-S386 PolarHBondContact O-N 3.25Å; V383-S386 PolarHBondContact O-OG 3.42Å; L384-S386 VanDerWaalsContact C-N 3.32Å; L384-S386 PolarHBondContact O-N 2.97Å
387	Y	79.2	Confident	74.7	Confident	38 Å²	38	42.4 Å²	42.4	15%	0.149	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	9.5	176.6	-68.9	-77.9	0	0	0	113.5	V383 L384 A385 L389 Q624 A627 D628 Y631	V383-Y387 HydrophobicContact CG1-CD2 4.38Å; V383-Y387 HydrophobicContact CG1-CE2 4.29Å; V383-Y387 WeakPolarHBondContact O-CD2 3.47Å; L384-Y387 PolarHBondContact O-N 3.28Å; A385-Y387 VanDerWaalsContact C-N 3.3Å; A385-Y387 PolarHBondContact O-N 2.89Å; Y387-L389 PolarHBondContact O-N 3.25Å; Y387-Q624 HydrophobicContact CE2-CG 3.95Å; Y387-A627 HydrophobicContact CD1-CB 3.49Å; Y387-A627 VanDerWaalsContact CD1-CB 3.49Å; Y387-A627 HydrophobicContact CD2-CB 4.26Å; Y387-A627 HydrophobicContact CE1-CB 3.54Å; Y387-A627 HydrophobicContact CE2-CB 4.34Å; Y387-A627 HydrophobicContact CG-CB 3.84Å; Y387-D628 VanDerWaalsContact CE1-OD1 3.29Å; Y387-D628 WeakPolarHBondContact CE1-OD1 3.42Å; Y387-D628 PolarHBondContact OH-OD1 2.87Å; Y387-Y631 AromaticContact CD1-CD2 3.91Å; Y387-Y631 HydrophobicContact CD1-CD2 3.91Å; Y387-Y631 AromaticContact CD1-CE2 3.94Å; Y387-Y631 HydrophobicContact CD1-CE2 3.94Å; Y387-Y631 PolarHBondContact O-OH 3.12Å
388	N	75.1	Confident	72.8	Confident	31 Å²	31	45.3 Å²	45.3	17%	0.166	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	34.5	-172.1	-167.6	32	0	0	0	112.4	L384 A385 A391 A392 G642 T645	L384-N388 PolarHBondContact O-N 3.48Å; A385-N388 PolarHBondContact O-N 2.88Å; N388-A391 PolarHBondContact O-N 3.43Å; N388-A391 VanDerWaalsContact O-N 3.17Å; N388-A392 HydrophobicContact CB-CB 4.12Å; N388-A392 VanDerWaalsContact O-CB 3.31Å; N388-A392 WeakPolarHBondContact O-CB 3.41Å; N388-A392 PolarHBondContact O-N 3.34Å; N388-G642 PolarHBondContact ND2-N 3.14Å; N388-G642 PolarHBondContact OD1-N 3.25Å; N388-T645 VanDerWaalsContact C-OG1 3.31Å; N388-T645 PolarHBondContact O-OG1 3.27Å; N388-T645 VanDerWaalsContact O-OG1 3.12Å; N388-T645 WeakPolarHBondContact OD1-CB 3.39Å; N388-T645 PolarHBondContact OD1-OG1 3Å
389	L	76.9	Confident	71.5	Confident	2 Å²	2	47 Å²	47	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	144.6	-179.3	-68.2	178.8	0	0	0	110.7	L384 Y387 L393 L544 L623	L384-L389 HydrophobicContact CD2-CB 4.02Å; L384-L389 PolarHBondContact O-N 3.24Å; Y387-L389 PolarHBondContact O-N 3.25Å; L389-L393 HydrophobicContact CD2-CD1 3.66Å; L389-L393 HydrophobicContact CD2-CD2 3.97Å; L389-L393 HydrophobicContact CD2-CG 3.48Å; L389-L393 VanDerWaalsContact CD2-CG 3.48Å; L389-L544 HydrophobicContact CD1-CD2 4.32Å; L389-L623 HydrophobicContact CD1-CD1 4Å; L389-L623 HydrophobicContact CD1-CD2 4.31Å; L389-L623 HydrophobicContact CD1-CG 4.23Å
390	P	71	Confident	69.9	Low	15 Å²	15	44 Å²	44	10%	0.097	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.7	3.7	4.2	37.8	-38.1	0	0	0	114.1	A392 L393 I401 C548	P390-A392 PolarHBondContact O-N 2.97Å; P390-L393 PolarHBondContact O-N 3.36Å; P390-I401 HydrophobicContact CB-CD1 3.53Å; P390-I401 HydrophobicContact CB-CG1 4.14Å; P390-I401 HydrophobicContact CG-CD1 3.79Å; P390-I401 HydrophobicContact CG-CG1 3.9Å; P390-I401 HydrophobicContact CG-CG2 4.05Å; P390-C548 HydrophobicContact CB-CB 4.1Å
391	A	66.5	Low	68.5	Low	13 Å²	13	44.5 Å²	44.5	11%	0.107	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-61.9	-39.5	-172.1	0	0	0	0	0	114.3	N388 L393 L394 L644 T645	N388-A391 PolarHBondContact O-N 3.43Å; N388-A391 VanDerWaalsContact O-N 3.17Å; A391-L393 PolarHBondContact O-N 2.95Å; A391-L393 VanDerWaalsContact O-N 3.12Å; A391-L394 WeakPolarHBondContact O-CB 3.42Å; A391-L394 PolarHBondContact O-N 3.41Å; A391-L644 HydrophobicContact CB-CB 3.6Å; A391-T645 WeakPolarHBondContact CB-OG1 3.44Å
392	A	66.7	Low	67.6	Low	38 Å²	38	43.7 Å²	43.7	31%	0.314	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-66.3	-14	-177.1	0	0	0	0	0	114.1	N388 P390 L394 Y631	N388-A392 HydrophobicContact CB-CB 4.12Å; N388-A392 VanDerWaalsContact O-CB 3.31Å; N388-A392 WeakPolarHBondContact O-CB 3.41Å; N388-A392 PolarHBondContact O-N 3.34Å; P390-A392 PolarHBondContact O-N 2.97Å; A392-L394 VanDerWaalsContact C-N 3.27Å; A392-L394 PolarHBondContact O-N 3.38Å; A392-Y631 HydrophobicContact CB-CE1 4.39Å; A392-Y631 WeakPolarHBondContact CB-OH 3.4Å
393	L	66.3	Low	67	Low	6 Å²	6	40.5 Å²	40.5	3%	0.031	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-83.6	-1.2	174.4	-57	171.6	0	0	0	112.6	L389 P390 A391 A395 K541 L544 F630	L389-L393 HydrophobicContact CD2-CD1 3.66Å; L389-L393 HydrophobicContact CD2-CD2 3.97Å; L389-L393 HydrophobicContact CD2-CG 3.48Å; L389-L393 VanDerWaalsContact CD2-CG 3.48Å; P390-L393 PolarHBondContact O-N 3.36Å; A391-L393 PolarHBondContact O-N 2.95Å; A391-L393 VanDerWaalsContact O-N 3.12Å; L393-A395 PolarHBondContact O-N 2.91Å; L393-K541 HydrophobicContact CB-CG 4.13Å; L393-K541 HydrophobicContact CD2-CB 4.37Å; L393-K541 HydrophobicContact CD2-CG 3.98Å; L393-K541 WeakPolarHBondContact O-CE 3Å; L393-L544 HydrophobicContact CD1-CB 3.63Å; L393-L544 HydrophobicContact CD2-CB 3.83Å; L393-L544 HydrophobicContact CD2-CD1 3.88Å; L393-L544 HydrophobicContact CG-CB 4.39Å; L393-F630 HydrophobicContact CD2-CE1 4.35Å; L393-F630 HydrophobicContact CD2-CZ 4.42Å
394	L	55.7	Low	66.4	Low	39 Å²	39	43.2 Å²	43.2	20%	0.204	28%	0.279	C	S	.	.			trans	-99.1	76.9	-174.5	-66.5	169.3	0	0	0	111.7	A391 A392 G397 I401 L644	A391-L394 WeakPolarHBondContact O-CB 3.42Å; A391-L394 PolarHBondContact O-N 3.41Å; A392-L394 VanDerWaalsContact C-N 3.27Å; A392-L394 PolarHBondContact O-N 3.38Å; L394-G397 WeakPolarHBondContact CD2-O 3.41Å; L394-I401 HydrophobicContact CD1-CB 3.91Å; L394-I401 HydrophobicContact CD1-CD1 3.79Å; L394-I401 HydrophobicContact CD1-CG1 4.49Å; L394-I401 HydrophobicContact CD1-CG2 3.95Å; L394-I401 HydrophobicContact CD2-CD1 3.88Å; L394-I401 HydrophobicContact CG-CD1 3.86Å; L394-L644 HydrophobicContact CD1-CD1 3.77Å
395	A	48.9	Very low	66.2	Low	75 Å²	75	43 Å²	43	62%	0.62	28%	0.278	S	S	*	.	S	Bend	trans	-101.3	-17.7	162.3	0	0	0	0	0	113.1	L393	L393-A395 PolarHBondContact O-N 2.91Å
396	N	45.2	Very low	66.3	Low	135 Å²	135	43.8 Å²	43.8	72%	0.722	28%	0.281	S	S	*	.	S	Bend	trans	-150.1	17.5	-176	-89.3	-26.2	0	0	0	115.6
397	G	47.5	Very low	66.5	Low	38 Å²	38	44.2 Å²	44.2	39%	0.392	28%	0.284	S	S	.	.			trans	-141.5	46.8	-170.4	0	0	0	0	0	115.4	L394 S399	L394-G397 WeakPolarHBondContact CD2-O 3.41Å; G397-S399 PolarHBondContact O-N 3.44Å
398	L	51.2	Low	66.8	Low	84 Å²	84	44.5 Å²	44.5	44%	0.44	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-8	-173.8	-101.9	110.9	0	0	0	116.9	T402	L398-T402 WeakPolarHBondContact O-CB 3.49Å; L398-T402 PolarHBondContact O-OG1 3.18Å
399	S	58.9	Low	67.6	Low	100 Å²	100	43 Å²	43	70%	0.699	28%	0.278	S	S	*	.	H	α-helix	trans	-83.9	-40.4	-166.6	60.5	0	0	0	0	115.8	G397 S403	G397-S399 PolarHBondContact O-N 3.44Å; S399-S403 VanDerWaalsContact O-CB 3.26Å; S399-S403 WeakPolarHBondContact O-CB 3.36Å; S399-S403 PolarHBondContact O-N 3.4Å; S399-S403 PolarHBondContact O-OG 3.38Å
400	S	59.6	Low	68.3	Low	57 Å²	57	45.2 Å²	45.2	40%	0.399	29%	0.293	S	S	.	.	H	α-helix	trans	-83.1	-44.4	-168.6	-171.5	0	0	0	0	114.1	S403 N404	S400-S403 PolarHBondContact O-OG 3.12Å; S400-N404 PolarHBondContact O-N 2.88Å; S400-N404 VanDerWaalsContact O-N 3.09Å
401	I	59	Low	69.2	Low	12 Å²	12	46.3 Å²	46.3	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-77.7	-38.1	-178.8	-69.6	153.9	0	0	0	111.3	P390 L394 S403 N404 I405	P390-I401 HydrophobicContact CB-CD1 3.53Å; P390-I401 HydrophobicContact CB-CG1 4.14Å; P390-I401 HydrophobicContact CG-CD1 3.79Å; P390-I401 HydrophobicContact CG-CG1 3.9Å; P390-I401 HydrophobicContact CG-CG2 4.05Å; L394-I401 HydrophobicContact CD1-CB 3.91Å; L394-I401 HydrophobicContact CD1-CD1 3.79Å; L394-I401 HydrophobicContact CD1-CG1 4.49Å; L394-I401 HydrophobicContact CD1-CG2 3.95Å; L394-I401 HydrophobicContact CD2-CD1 3.88Å; L394-I401 HydrophobicContact CG-CD1 3.86Å; I401-S403 VanDerWaalsContact C-N 3.28Å; I401-S403 PolarHBondContact O-N 3.3Å; I401-N404 WeakPolarHBondContact O-CB 3.49Å; I401-N404 PolarHBondContact O-N 2.87Å; I401-N404 VanDerWaalsContact O-N 3.16Å; I401-I405 HydrophobicContact CG2-CD1 3.96Å; I401-I405 PolarHBondContact O-N 3.49Å
402	T	67.7	Low	70.5	Confident	11 Å²	11	45.8 Å²	45.8	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-39.7	173.4	-44.7	0	0	0	0	110.4	L398 I405 L406 I522	L398-T402 WeakPolarHBondContact O-CB 3.49Å; L398-T402 PolarHBondContact O-OG1 3.18Å; T402-I405 PolarHBondContact O-N 3.37Å; T402-L406 HydrophobicContact CG2-CD1 3.88Å; T402-L406 HydrophobicContact CG2-CG 4.44Å; T402-L406 WeakPolarHBondContact O-CB 3.45Å; T402-L406 WeakPolarHBondContact O-CD1 3.45Å; T402-L406 WeakPolarHBondContact O-CG 3.38Å; T402-L406 PolarHBondContact O-N 3.16Å; T402-I522 HydrophobicContact CG2-CD1 4.21Å; T402-I522 HydrophobicContact CG2-CG2 4.28Å
403	S	74.8	Confident	71.8	Confident	59 Å²	59	47 Å²	47	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-66.8	-35.6	173.8	59.2	0	0	0	0	113.3	S399 S400 I401 S407	S399-S403 VanDerWaalsContact O-CB 3.26Å; S399-S403 WeakPolarHBondContact O-CB 3.36Å; S399-S403 PolarHBondContact O-N 3.4Å; S399-S403 PolarHBondContact O-OG 3.38Å; S400-S403 PolarHBondContact O-OG 3.12Å; I401-S403 VanDerWaalsContact C-N 3.28Å; I401-S403 PolarHBondContact O-N 3.3Å; S403-S407 VanDerWaalsContact O-CB 3.24Å; S403-S407 WeakPolarHBondContact O-CB 3.43Å; S403-S407 PolarHBondContact O-N 3.44Å
404	N	74.9	Confident	73.1	Confident	72 Å²	72	55.9 Å²	55.9	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-46	171.8	-81.3	-25.7	0	0	0	112.6	S400 I401 S407 K408	S400-N404 PolarHBondContact O-N 2.88Å; S400-N404 VanDerWaalsContact O-N 3.09Å; I401-N404 WeakPolarHBondContact O-CB 3.49Å; I401-N404 PolarHBondContact O-N 2.87Å; I401-N404 VanDerWaalsContact O-N 3.16Å; N404-S407 WeakPolarHBondContact O-CB 3.49Å; N404-S407 PolarHBondContact O-N 3Å; N404-K408 WeakPolarHBondContact O-CG 3.33Å; N404-K408 PolarHBondContact O-N 3.24Å
405	I	79.7	Confident	74.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-41.1	177.1	-69	166.8	0	0	0	110.4	I401 T402 S407 K408 A409 L511 I522 L644 L647 N648	I401-I405 HydrophobicContact CG2-CD1 3.96Å; I401-I405 PolarHBondContact O-N 3.49Å; T402-I405 PolarHBondContact O-N 3.37Å; I405-S407 VanDerWaalsContact C-N 3.33Å; I405-S407 PolarHBondContact O-N 2.82Å; I405-K408 PolarHBondContact O-N 3.44Å; I405-A409 WeakPolarHBondContact O-CB 3.41Å; I405-A409 PolarHBondContact O-N 2.68Å; I405-L511 HydrophobicContact CG2-CD2 4.16Å; I405-I522 HydrophobicContact CG2-CD1 4.43Å; I405-L644 HydrophobicContact CD1-CB 4.23Å; I405-L644 HydrophobicContact CD1-CD2 3.46Å; I405-L644 VanDerWaalsContact CD1-CD2 3.46Å; I405-L644 HydrophobicContact CD1-CG 4.48Å; I405-L644 WeakPolarHBondContact CD1-O 3.47Å; I405-L647 HydrophobicContact CG2-CB 4.34Å; I405-N648 HydrophobicContact CD1-CB 4.44Å; I405-N648 HydrophobicContact CG1-CB 4.33Å
406	L	84.6	Confident	77	Confident	23 Å²	23	54.9 Å²	54.9	12%	0.12	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-41.2	174.1	-80.5	162.2	0	0	0	111.9	T402 S410 E515 L518	T402-L406 HydrophobicContact CG2-CD1 3.88Å; T402-L406 HydrophobicContact CG2-CG 4.44Å; T402-L406 WeakPolarHBondContact O-CB 3.45Å; T402-L406 WeakPolarHBondContact O-CD1 3.45Å; T402-L406 WeakPolarHBondContact O-CG 3.38Å; T402-L406 PolarHBondContact O-N 3.16Å; L406-S410 WeakPolarHBondContact O-CB 3.36Å; L406-S410 PolarHBondContact O-N 3.15Å; L406-S410 PolarHBondContact O-OG 3.27Å; L406-E515 HydrophobicContact CD2-CG 3.61Å; L406-L518 HydrophobicContact CD2-CD2 4.42Å
407	S	86.6	Confident	79.3	Confident	79 Å²	79	48.7 Å²	48.7	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-63.4	-49.5	174.7	178.9	0	0	0	0	111.4	S403 N404 I405 A409 S410 S411	S403-S407 VanDerWaalsContact O-CB 3.24Å; S403-S407 WeakPolarHBondContact O-CB 3.43Å; S403-S407 PolarHBondContact O-N 3.44Å; N404-S407 WeakPolarHBondContact O-CB 3.49Å; N404-S407 PolarHBondContact O-N 3Å; I405-S407 VanDerWaalsContact C-N 3.33Å; I405-S407 PolarHBondContact O-N 2.82Å; S407-A409 PolarHBondContact O-N 3.34Å; S407-S410 WeakPolarHBondContact O-CB 3.34Å; S407-S410 PolarHBondContact O-N 3.12Å; S407-S411 PolarHBondContact O-N 3.14Å; S407-S411 VanDerWaalsContact O-N 3.08Å
408	K	86.2	Confident	81.6	Confident	45 Å²	45	47.1 Å²	47.1	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-44.8	176.6	-70	-175	-177.6	-176.9	0	111.9	N404 I405 S410 S411 V412 E552 N648 A651 D652	N404-K408 WeakPolarHBondContact O-CG 3.33Å; N404-K408 PolarHBondContact O-N 3.24Å; I405-K408 PolarHBondContact O-N 3.44Å; K408-S410 VanDerWaalsContact C-N 3.26Å; K408-S410 PolarHBondContact O-N 2.9Å; K408-S411 WeakPolarHBondContact O-CA 3.44Å; K408-S411 WeakPolarHBondContact O-CB 3.29Å; K408-S411 PolarHBondContact O-N 3.4Å; K408-V412 WeakPolarHBondContact O-CG2 2.9Å; K408-V412 PolarHBondContact O-N 3.17Å; K408-E552 IonicContact NZ-OE2 3.83Å; K408-N648 PolarHBondContact NZ-OD1 3.21Å; K408-A651 HydrophobicContact CB-CB 3.78Å; K408-A651 HydrophobicContact CD-CB 3.69Å; K408-A651 HydrophobicContact CG-CB 4.34Å; K408-D652 IonicContact NZ-OD1 3.79Å; K408-D652 PolarHBondContact NZ-OD1 2.83Å; K408-D652 IonicContact NZ-OD2 2.69Å
409	A	90.9	Very high	83.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-36.4	174.8	0	0	0	0	0	111.8	I405 S407 S411 V412 R413 L511 L518	I405-A409 WeakPolarHBondContact O-CB 3.41Å; I405-A409 PolarHBondContact O-N 2.68Å; S407-A409 PolarHBondContact O-N 3.34Å; A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.13Å; A409-V412 WeakPolarHBondContact O-CB 3.45Å; A409-V412 PolarHBondContact O-N 2.93Å; A409-R413 WeakPolarHBondContact O-CG 3.25Å; A409-R413 PolarHBondContact O-N 2.84Å; A409-L511 HydrophobicContact CB-CD2 4.03Å; A409-L518 HydrophobicContact CB-CD2 3.58Å
410	S	91.9	Very high	85.4	Confident	47 Å²	47	48.8 Å²	48.8	33%	0.329	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-39.4	172.9	-60.8	0	0	0	0	111.9	L406 S407 K408 R413 R414	L406-S410 WeakPolarHBondContact O-CB 3.36Å; L406-S410 PolarHBondContact O-N 3.15Å; L406-S410 PolarHBondContact O-OG 3.27Å; S407-S410 WeakPolarHBondContact O-CB 3.34Å; S407-S410 PolarHBondContact O-N 3.12Å; K408-S410 VanDerWaalsContact C-N 3.26Å; K408-S410 PolarHBondContact O-N 2.9Å; S410-R413 PolarHBondContact OG-NH2 3.19Å; S410-R414 WeakPolarHBondContact O-CB 2.96Å; S410-R414 PolarHBondContact O-N 3.49Å
411	S	90.8	Very high	87.1	Confident	39 Å²	39	46.1 Å²	46.1	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-44.8	172.4	-161.6	0	0	0	0	111.7	S407 K408 A409 R413 R414 D415	S407-S411 PolarHBondContact O-N 3.14Å; S407-S411 VanDerWaalsContact O-N 3.08Å; K408-S411 WeakPolarHBondContact O-CA 3.44Å; K408-S411 WeakPolarHBondContact O-CB 3.29Å; K408-S411 PolarHBondContact O-N 3.4Å; A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.13Å; S411-R413 VanDerWaalsContact C-N 3.32Å; S411-R413 PolarHBondContact O-N 3.22Å; S411-R414 WeakPolarHBondContact O-CB 3.35Å; S411-R414 PolarHBondContact O-N 3.01Å; S411-R414 VanDerWaalsContact O-N 3.14Å; S411-R414 PolarHBondContact OG-NH2 3.34Å; S411-D415 VanDerWaalsContact O-CG 3.25Å; S411-D415 PolarHBondContact O-N 3.33Å
412	V	94.2	Very high	88.9	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-54.2	-48.8	175.4	172.1	0	0	0	0	110.7	K408 A409 D415 G416 G417 L511 Y654	K408-V412 WeakPolarHBondContact O-CG2 2.9Å; K408-V412 PolarHBondContact O-N 3.17Å; A409-V412 WeakPolarHBondContact O-CB 3.45Å; A409-V412 PolarHBondContact O-N 2.93Å; V412-D415 PolarHBondContact O-N 3.15Å; V412-G416 PolarHBondContact O-N 3.42Å; V412-G417 WeakPolarHBondContact O-CA 3.42Å; V412-G417 PolarHBondContact O-N 3.39Å; V412-L511 HydrophobicContact CG1-CB 4.28Å; V412-Y654 HydrophobicContact CB-CD1 4.34Å; V412-Y654 HydrophobicContact CB-CE1 4.21Å; V412-Y654 HydrophobicContact CG1-CD1 4.32Å; V412-Y654 HydrophobicContact CG1-CD2 4.09Å; V412-Y654 HydrophobicContact CG1-CE1 4.09Å; V412-Y654 HydrophobicContact CG1-CE2 3.85Å; V412-Y654 HydrophobicContact CG1-CG 4.32Å; V412-Y654 HydrophobicContact CG2-CD1 3.67Å; V412-Y654 HydrophobicContact CG2-CE1 4.04Å; V412-Y654 HydrophobicContact CG2-CG 3.94Å
413	R	94.1	Very high	90.2	Very high	64 Å²	64	53.9 Å²	53.9	24%	0.242	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-43.5	176.7	-74.1	-170.1	-65.1	-96.3	-0.2	112.7	A409 S410 S411 D415 G416 K513	A409-R413 WeakPolarHBondContact O-CG 3.25Å; A409-R413 PolarHBondContact O-N 2.84Å; S410-R413 PolarHBondContact OG-NH2 3.19Å; S411-R413 VanDerWaalsContact C-N 3.32Å; S411-R413 PolarHBondContact O-N 3.22Å; R413-D415 PolarHBondContact O-N 3.45Å; R413-G416 WeakPolarHBondContact O-CA 3.45Å; R413-G416 PolarHBondContact O-N 3.28Å; R413-K513 WeakPolarHBondContact CD-O 3.39Å; R413-K513 PolarHBondContact NH1-O 3.03Å
414	R	93.8	Very high	91.1	Very high	192 Å²	192	54.5 Å²	54.5	73%	0.725	27%	0.274	S	S	*	.	H	α-helix	trans	-59.5	-37	177	-177.7	-177.9	64.2	168.5	-5.8	111.6	S410 S411 G416	S410-R414 WeakPolarHBondContact O-CB 2.96Å; S410-R414 PolarHBondContact O-N 3.49Å; S411-R414 WeakPolarHBondContact O-CB 3.35Å; S411-R414 PolarHBondContact O-N 3.01Å; S411-R414 VanDerWaalsContact O-N 3.14Å; S411-R414 PolarHBondContact OG-NH2 3.34Å; R414-G416 PolarHBondContact O-N 3.08Å
415	D	91.5	Very high	92.1	Very high	57 Å²	57	51.2 Å²	51.2	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-76.9	-11.6	179.9	-62.9	-18	0	0	0	112.4	S411 V412 R413 K420 Y654	S411-D415 VanDerWaalsContact O-CG 3.25Å; S411-D415 PolarHBondContact O-N 3.33Å; V412-D415 PolarHBondContact O-N 3.15Å; R413-D415 PolarHBondContact O-N 3.45Å; D415-K420 VanDerWaalsContact O-CD 3.31Å; D415-K420 WeakPolarHBondContact O-CD 3.37Å; D415-K420 WeakPolarHBondContact O-CE 3.22Å; D415-K420 PolarHBondContact O-NZ 2.94Å; D415-Y654 HydrophobicContact CB-CE1 4.27Å
416	G	93.3	Very high	92.7	Very high	36 Å²	36	55 Å²	55	37%	0.371	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	110	6.1	173.8	0	0	0	0	0	114.7	V412 R413 R414	V412-G416 PolarHBondContact O-N 3.42Å; R413-G416 WeakPolarHBondContact O-CA 3.45Å; R413-G416 PolarHBondContact O-N 3.28Å; R414-G416 PolarHBondContact O-N 3.08Å
417	G	94.6	Very high	93.1	Very high	4 Å²	4	55.5 Å²	55.5	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	68.9	-171	176.2	0	0	0	0	0	114.7	V412 E419 K420 L421 S512 Y654	V412-G417 WeakPolarHBondContact O-CA 3.42Å; V412-G417 PolarHBondContact O-N 3.39Å; G417-E419 VanDerWaalsContact C-N 3.31Å; G417-E419 PolarHBondContact O-N 3.12Å; G417-K420 PolarHBondContact O-N 3.22Å; G417-L421 PolarHBondContact O-N 3.2Å; G417-S512 VanDerWaalsContact CA-OG 3.28Å; G417-S512 WeakPolarHBondContact CA-OG 3.26Å; G417-Y654 PolarHBondContact N-OH 2.85Å; G417-Y654 PolarHBondContact O-OH 3.47Å
418	A	95.5	Very high	93.5	Very high	6 Å²	6	52 Å²	52	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-54.2	-43.5	-176.1	0	0	0	0	0	112.9	K420 L421 Y422 Y501 F508 E509 S512	A418-K420 PolarHBondContact O-N 3.07Å; A418-L421 PolarHBondContact O-N 3.44Å; A418-Y422 WeakPolarHBondContact O-CB 3.07Å; A418-Y422 PolarHBondContact O-N 3.4Å; A418-Y501 PolarHBondContact O-OH 3.16Å; A418-Y501 VanDerWaalsContact O-OH 3.13Å; A418-F508 HydrophobicContact CB-CB 3.79Å; A418-E509 HydrophobicContact CB-CG 4.12Å; A418-S512 PolarHBondContact N-OG 2.94Å
419	E	94.4	Very high	93.8	Very high	121 Å²	121	53.3 Å²	53.3	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-59	-47.9	-178.3	178.8	57.8	-150.6	0	0	112.1	G417 Y422 Q423	G417-E419 VanDerWaalsContact C-N 3.31Å; G417-E419 PolarHBondContact O-N 3.12Å; E419-Y422 PolarHBondContact O-N 3.38Å; E419-Q423 WeakPolarHBondContact O-CG 3.42Å; E419-Q423 PolarHBondContact O-N 3.07Å; E419-Q423 PolarHBondContact OE1-NE2 3.15Å
420	K	95.3	Very high	94	Very high	98 Å²	98	59.5 Å²	59.5	43%	0.426	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-38.7	-179	-175.7	169.9	159.9	-150	0	111.8	D415 G417 A418 Y422 Q423 Q424	D415-K420 VanDerWaalsContact O-CD 3.31Å; D415-K420 WeakPolarHBondContact O-CD 3.37Å; D415-K420 WeakPolarHBondContact O-CE 3.22Å; D415-K420 PolarHBondContact O-NZ 2.94Å; G417-K420 PolarHBondContact O-N 3.22Å; A418-K420 PolarHBondContact O-N 3.07Å; K420-Y422 VanDerWaalsContact C-N 3.31Å; K420-Y422 PolarHBondContact O-N 3.5Å; K420-Q423 PolarHBondContact O-N 3.13Å; K420-Q424 WeakPolarHBondContact O-CG 3.23Å; K420-Q424 PolarHBondContact O-N 3.28Å
421	L	95.9	Very high	94	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-42.2	174.8	179.7	58.4	0	0	0	111.2	G417 A418 Q424 L425 Y501 F508 Y654 L657 V661	G417-L421 PolarHBondContact O-N 3.2Å; A418-L421 PolarHBondContact O-N 3.44Å; L421-Q424 PolarHBondContact O-N 2.92Å; L421-L425 HydrophobicContact CG-CD1 4.32Å; L421-L425 PolarHBondContact O-N 3.4Å; L421-Y501 HydrophobicContact CB-CE2 4.37Å; L421-Y501 HydrophobicContact CD2-CD2 4.05Å; L421-Y501 HydrophobicContact CD2-CE2 4.16Å; L421-Y501 HydrophobicContact CG-CD2 4.14Å; L421-Y501 HydrophobicContact CG-CE2 4.17Å; L421-F508 HydrophobicContact CD2-CE2 4.49Å; L421-Y654 HydrophobicContact CB-CE2 4.01Å; L421-Y654 HydrophobicContact CD2-CD2 3.58Å; L421-Y654 HydrophobicContact CD2-CE2 3.57Å; L421-Y654 HydrophobicContact CD2-CG 4.36Å; L421-Y654 HydrophobicContact CG-CE2 4.43Å; L421-L657 HydrophobicContact CD2-CD2 4.12Å; L421-L657 HydrophobicContact CD2-CG 4.39Å; L421-V661 HydrophobicContact CD1-CG2 4.24Å
422	Y	95.3	Very high	94.2	Very high	69 Å²	69	58 Å²	58	27%	0.271	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-43.3	175.4	-169.9	-114.2	0	0	0	112.3	A418 E419 K420 Q424 L425 L426 L498 Y501	A418-Y422 WeakPolarHBondContact O-CB 3.07Å; A418-Y422 PolarHBondContact O-N 3.4Å; E419-Y422 PolarHBondContact O-N 3.38Å; K420-Y422 VanDerWaalsContact C-N 3.31Å; K420-Y422 PolarHBondContact O-N 3.5Å; Y422-Q424 VanDerWaalsContact C-N 3.33Å; Y422-Q424 PolarHBondContact O-N 3.48Å; Y422-L425 WeakPolarHBondContact O-CB 3.5Å; Y422-L425 PolarHBondContact O-N 2.78Å; Y422-L426 HydrophobicContact CD1-CD1 3.86Å; Y422-L426 HydrophobicContact CD1-CG 4.4Å; Y422-L426 HydrophobicContact CE1-CD1 3.53Å; Y422-L426 HydrophobicContact CE1-CG 4.14Å; Y422-L426 WeakPolarHBondContact O-CG 3.45Å; Y422-L426 PolarHBondContact O-N 3.45Å; Y422-L498 HydrophobicContact CE2-CD2 4.39Å; Y422-Y501 AromaticContact CD2-CD1 3.71Å; Y422-Y501 HydrophobicContact CD2-CD1 3.71Å; Y422-Y501 AromaticContact CD2-CE1 3.37Å; Y422-Y501 HydrophobicContact CD2-CE1 3.37Å; Y422-Y501 HydrophobicContact CD2-CG 4.45Å; Y422-Y501 AromaticContact CD2-CZ 3.87Å; Y422-Y501 HydrophobicContact CE2-CD1 4.22Å; Y422-Y501 HydrophobicContact CE2-CE1 4.08Å; Y422-Y501 HydrophobicContact CG-CE1 4.08Å
423	Q	95.1	Very high	94.2	Very high	116 Å²	116	62 Å²	62	54%	0.542	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-39.7	175.2	-71.4	-167.4	9.7	0	0	112.7	E419 K420 L426 S427	E419-Q423 WeakPolarHBondContact O-CG 3.42Å; E419-Q423 PolarHBondContact O-N 3.07Å; E419-Q423 PolarHBondContact OE1-NE2 3.15Å; K420-Q423 PolarHBondContact O-N 3.13Å; Q423-L426 PolarHBondContact O-N 2.84Å; Q423-S427 PolarHBondContact O-N 2.94Å; Q423-S427 VanDerWaalsContact O-N 3.13Å
424	Q	95.3	Very high	94.3	Very high	72 Å²	72	66 Å²	66	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-39.5	175.3	-69.5	178.8	-39.9	0	0	111.8	K420 L421 Y422 L426 S427 V661	K420-Q424 WeakPolarHBondContact O-CG 3.23Å; K420-Q424 PolarHBondContact O-N 3.28Å; L421-Q424 PolarHBondContact O-N 2.92Å; Y422-Q424 VanDerWaalsContact C-N 3.33Å; Y422-Q424 PolarHBondContact O-N 3.48Å; Q424-L426 VanDerWaalsContact C-N 3.35Å; Q424-L426 PolarHBondContact O-N 3.01Å; Q424-S427 WeakPolarHBondContact O-CB 3.35Å; Q424-S427 PolarHBondContact O-N 2.94Å; Q424-S427 VanDerWaalsContact O-N 3.16Å; Q424-S427 PolarHBondContact O-OG 2.81Å; Q424-V661 HydrophobicContact CB-CG1 3.6Å
425	L	94.4	Very high	94.4	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-43.9	172.4	-94.2	149.9	0	0	0	112.3	L421 Y422 S427 I428 P429 L497 L498 Y501 L657 V661	L421-L425 HydrophobicContact CG-CD1 4.32Å; L421-L425 PolarHBondContact O-N 3.4Å; Y422-L425 WeakPolarHBondContact O-CB 3.5Å; Y422-L425 PolarHBondContact O-N 2.78Å; L425-S427 PolarHBondContact O-N 2.82Å; L425-I428 PolarHBondContact O-N 2.88Å; L425-P429 VanDerWaalsContact O-CD 3.3Å; L425-P429 WeakPolarHBondContact O-CD 3.43Å; L425-L497 HydrophobicContact CD2-CB 3.67Å; L425-L498 HydrophobicContact CD2-CG 4.17Å; L425-Y501 HydrophobicContact CD1-CD2 3.74Å; L425-Y501 HydrophobicContact CD1-CG 3.83Å; L425-L657 HydrophobicContact CD1-CD2 4.32Å; L425-V661 HydrophobicContact CD1-CG2 4.44Å; L425-V661 HydrophobicContact CD2-CG2 4.19Å; L425-V661 HydrophobicContact CG-CG2 3.85Å
426	L	92.7	Very high	94.5	Very high	80 Å²	80	58.3 Å²	58.3	42%	0.419	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-22.4	177.1	-69.4	176.7	0	0	0	113.3	Y422 Q423 Q424 P429	Y422-L426 HydrophobicContact CD1-CD1 3.86Å; Y422-L426 HydrophobicContact CD1-CG 4.4Å; Y422-L426 HydrophobicContact CE1-CD1 3.53Å; Y422-L426 HydrophobicContact CE1-CG 4.14Å; Y422-L426 WeakPolarHBondContact O-CG 3.45Å; Y422-L426 PolarHBondContact O-N 3.45Å; Q423-L426 PolarHBondContact O-N 2.84Å; Q424-L426 VanDerWaalsContact C-N 3.35Å; Q424-L426 PolarHBondContact O-N 3.01Å; L426-P429 WeakPolarHBondContact O-CD 3.35Å
427	S	94.1	Very high	94.7	Very high	34 Å²	34	61.7 Å²	61.7	24%	0.238	30%	0.296	C	S	.	.	H	α-helix	trans	-76.7	-21.7	176.2	78	0	0	0	0	114	Q423 Q424 L425 E430 C431	Q423-S427 PolarHBondContact O-N 2.94Å; Q423-S427 VanDerWaalsContact O-N 3.13Å; Q424-S427 WeakPolarHBondContact O-CB 3.35Å; Q424-S427 PolarHBondContact O-N 2.94Å; Q424-S427 VanDerWaalsContact O-N 3.16Å; Q424-S427 PolarHBondContact O-OG 2.81Å; L425-S427 PolarHBondContact O-N 2.82Å; S427-E430 WeakPolarHBondContact O-CB 3.46Å; S427-E430 PolarHBondContact O-N 2.85Å; S427-E430 VanDerWaalsContact O-N 3.17Å; S427-C431 PolarHBondContact O-N 3.23Å; S427-C431 VanDerWaalsContact O-N 3.08Å; S427-C431 PolarHBondContact O-SG 2.85Å
428	I	94.2	Very high	94.8	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-50.1	-179.1	-66.5	170.6	0	0	0	111.3	L425 E430 C431 V432 D494 L497 V661 A664 Y668	L425-I428 PolarHBondContact O-N 2.88Å; I428-E430 PolarHBondContact O-N 3.48Å; I428-C431 WeakPolarHBondContact O-CB 3.47Å; I428-C431 PolarHBondContact O-N 3.05Å; I428-C431 VanDerWaalsContact O-N 3.08Å; I428-V432 HydrophobicContact CG2-CG2 4.47Å; I428-V432 WeakPolarHBondContact O-CG2 3.4Å; I428-V432 PolarHBondContact O-N 2.72Å; I428-D494 HydrophobicContact CG2-CB 4.11Å; I428-D494 WeakPolarHBondContact CG2-OD2 3.37Å; I428-L497 HydrophobicContact CD1-CD1 4.08Å; I428-V661 HydrophobicContact CD1-CG1 4.23Å; I428-V661 HydrophobicContact CD1-CG2 4.28Å; I428-A664 HydrophobicContact CD1-CB 3.73Å; I428-A664 HydrophobicContact CG1-CB 4.21Å; I428-Y668 HydrophobicContact CG2-CD2 4.38Å; I428-Y668 HydrophobicContact CG2-CE2 3.88Å
429	P	93.1	Very high	94.8	Very high	72 Å²	72	62.4 Å²	62.4	47%	0.468	30%	0.298	S	S	.	.	H	α-helix	trans	-55.2	-34.8	173.9	-28	34.6	0	0	0	114.4	L425 L426 V432 Q433	L425-P429 VanDerWaalsContact O-CD 3.3Å; L425-P429 WeakPolarHBondContact O-CD 3.43Å; L426-P429 WeakPolarHBondContact O-CD 3.35Å; P429-V432 PolarHBondContact O-N 3.06Å; P429-Q433 WeakPolarHBondContact O-CB 3.39Å; P429-Q433 PolarHBondContact O-N 3.31Å
430	E	93.5	Very high	94.9	Very high	131 Å²	131	61.5 Å²	61.5	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-67.3	-40.3	176.7	-57.6	-175.9	169.8	0	0	111.6	S427 I428 Q433 R434	S427-E430 WeakPolarHBondContact O-CB 3.46Å; S427-E430 PolarHBondContact O-N 2.85Å; S427-E430 VanDerWaalsContact O-N 3.17Å; I428-E430 PolarHBondContact O-N 3.48Å; E430-Q433 PolarHBondContact O-N 3.08Å; E430-R434 WeakPolarHBondContact O-CB 3.33Å; E430-R434 PolarHBondContact O-N 3.07Å
431	C	93.4	Very high	95	Very high	34 Å²	34	58.7 Å²	58.7	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-42.3	174	-70.7	0	0	0	0	112.1	S427 I428 N435 Y668	S427-C431 PolarHBondContact O-N 3.23Å; S427-C431 VanDerWaalsContact O-N 3.08Å; S427-C431 PolarHBondContact O-SG 2.85Å; I428-C431 WeakPolarHBondContact O-CB 3.47Å; I428-C431 PolarHBondContact O-N 3.05Å; I428-C431 VanDerWaalsContact O-N 3.08Å; C431-N435 PolarHBondContact O-N 3.43Å; C431-N435 PolarHBondContact O-ND2 3.09Å; C431-Y668 HydrophobicContact CB-CD2 4.14Å; C431-Y668 HydrophobicContact CB-CG 4Å
432	V	94.1	Very high	95	Very high	19 Å²	19	58.9 Å²	58.9	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-48.9	174	173	0	0	0	0	110.4	I428 P429 R434 N435 K436 L487 Y668	I428-V432 HydrophobicContact CG2-CG2 4.47Å; I428-V432 WeakPolarHBondContact O-CG2 3.4Å; I428-V432 PolarHBondContact O-N 2.72Å; P429-V432 PolarHBondContact O-N 3.06Å; V432-R434 PolarHBondContact O-N 3Å; V432-N435 PolarHBondContact O-N 2.82Å; V432-K436 WeakPolarHBondContact O-CB 3.12Å; V432-K436 PolarHBondContact O-N 2.97Å; V432-L487 HydrophobicContact CG1-CD2 4.24Å; V432-Y668 HydrophobicContact CG2-CD1 4.45Å; V432-Y668 HydrophobicContact CG2-CD2 4.47Å; V432-Y668 HydrophobicContact CG2-CE1 3.78Å; V432-Y668 HydrophobicContact CG2-CE2 3.78Å; V432-Y668 VanDerWaalsContact CG2-CZ 3.4Å; V432-Y668 WeakPolarHBondContact CG2-OH 3.19Å
433	Q	94.6	Very high	95.1	Very high	87 Å²	87	60 Å²	60	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-43.5	-178.3	-177.9	57.8	25.8	0	0	111.7	P429 E430 N435 K436 E437	P429-Q433 WeakPolarHBondContact O-CB 3.39Å; P429-Q433 PolarHBondContact O-N 3.31Å; E430-Q433 PolarHBondContact O-N 3.08Å; Q433-N435 PolarHBondContact O-N 2.73Å; Q433-K436 WeakPolarHBondContact O-CB 3.34Å; Q433-K436 PolarHBondContact O-N 2.86Å; Q433-E437 WeakPolarHBondContact CG-OE1 3.49Å; Q433-E437 PolarHBondContact NE2-OE1 3.28Å; Q433-E437 WeakPolarHBondContact O-CG 3.38Å; Q433-E437 PolarHBondContact O-N 3.19Å
434	R	95.6	Very high	95.2	Very high	148 Å²	148	57.3 Å²	57.3	56%	0.558	29%	0.289	S	S	*	.	H	α-helix	trans	-57	-48.8	174.8	172	177.5	-97.7	101.3	-1.7	112.1	E430 V432 K436 E437 I438	E430-R434 WeakPolarHBondContact O-CB 3.33Å; E430-R434 PolarHBondContact O-N 3.07Å; V432-R434 PolarHBondContact O-N 3Å; R434-K436 VanDerWaalsContact C-N 3.31Å; R434-K436 PolarHBondContact O-N 2.9Å; R434-E437 PolarHBondContact O-N 3.08Å; R434-I438 HydrophobicContact CG-CD1 4.2Å; R434-I438 WeakPolarHBondContact O-CG1 3.45Å; R434-I438 PolarHBondContact O-N 2.99Å
435	N	95.5	Very high	95.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-40.4	179.1	-78.1	-67.5	0	0	0	111.6	C431 V432 Q433 I438 I439 L487 Y668 L671 T672	C431-N435 PolarHBondContact O-N 3.43Å; C431-N435 PolarHBondContact O-ND2 3.09Å; V432-N435 PolarHBondContact O-N 2.82Å; Q433-N435 PolarHBondContact O-N 2.73Å; N435-I438 PolarHBondContact O-N 2.71Å; N435-I439 WeakPolarHBondContact O-CD1 3.09Å; N435-I439 VanDerWaalsContact O-CG1 3.3Å; N435-I439 WeakPolarHBondContact O-CG1 3.33Å; N435-I439 PolarHBondContact O-N 3.04Å; N435-I439 VanDerWaalsContact O-N 3.09Å; N435-L487 HydrophobicContact CB-CD1 4.23Å; N435-L487 HydrophobicContact CB-CD2 4.23Å; N435-Y668 PolarHBondContact ND2-O 2.88Å; N435-Y668 VanDerWaalsContact ND2-O 3.14Å; N435-L671 HydrophobicContact CB-CD2 4.29Å; N435-T672 VanDerWaalsContact CG-OG1 3.27Å; N435-T672 PolarHBondContact ND2-OG1 3.4Å; N435-T672 WeakPolarHBondContact OD1-CA 3.39Å; N435-T672 WeakPolarHBondContact OD1-CB 3.19Å; N435-T672 PolarHBondContact OD1-N 2.98Å; N435-T672 PolarHBondContact OD1-OG1 3.28Å
436	K	95.5	Very high	95.4	Very high	88 Å²	88	55.4 Å²	55.4	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-62.4	-42.7	177.3	-170.1	178.2	176.3	-175.2	0	112.3	V432 Q433 R434 I438 I439 E440	V432-K436 WeakPolarHBondContact O-CB 3.12Å; V432-K436 PolarHBondContact O-N 2.97Å; Q433-K436 WeakPolarHBondContact O-CB 3.34Å; Q433-K436 PolarHBondContact O-N 2.86Å; R434-K436 VanDerWaalsContact C-N 3.31Å; R434-K436 PolarHBondContact O-N 2.9Å; K436-I438 PolarHBondContact O-N 2.53Å; K436-I439 PolarHBondContact O-N 3.39Å; K436-E440 WeakPolarHBondContact CE-OE1 3.32Å; K436-E440 WeakPolarHBondContact O-CB 3.21Å; K436-E440 WeakPolarHBondContact O-CG 3.4Å; K436-E440 PolarHBondContact O-N 3.24Å
437	E	96.6	Very high	95.6	Very high	107 Å²	107	53.9 Å²	53.9	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-41.9	176.9	-74.7	169.7	-172.2	0	0	112.2	Q433 R434 E440 A441	Q433-E437 WeakPolarHBondContact CG-OE1 3.49Å; Q433-E437 PolarHBondContact NE2-OE1 3.28Å; Q433-E437 WeakPolarHBondContact O-CG 3.38Å; Q433-E437 PolarHBondContact O-N 3.19Å; R434-E437 PolarHBondContact O-N 3.08Å; E437-E440 PolarHBondContact O-N 3.41Å; E437-A441 WeakPolarHBondContact O-CB 3.33Å; E437-A441 PolarHBondContact O-N 3.2Å
438	I	96.7	Very high	95.8	Very high	24 Å²	24	57.1 Å²	57.1	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-49	176.4	-63.3	163.1	0	0	0	110.2	R434 N435 K436 E440 A441 E442 T672 C675 V676 Q679	R434-I438 HydrophobicContact CG-CD1 4.2Å; R434-I438 WeakPolarHBondContact O-CG1 3.45Å; R434-I438 PolarHBondContact O-N 2.99Å; N435-I438 PolarHBondContact O-N 2.71Å; K436-I438 PolarHBondContact O-N 2.53Å; I438-E440 VanDerWaalsContact C-N 3.34Å; I438-E440 PolarHBondContact O-N 2.9Å; I438-A441 WeakPolarHBondContact O-CB 3.38Å; I438-A441 PolarHBondContact O-N 2.55Å; I438-A441 VanDerWaalsContact O-N 3.17Å; I438-E442 WeakPolarHBondContact O-CG 3.45Å; I438-E442 PolarHBondContact O-N 2.83Å; I438-T672 HydrophobicContact CD1-CG2 4.08Å; I438-C675 HydrophobicContact CB-CB 4.33Å; I438-C675 HydrophobicContact CG2-CB 3.68Å; I438-V676 HydrophobicContact CD1-CG2 4.02Å; I438-Q679 HydrophobicContact CG2-CB 4.36Å
439	I	96.1	Very high	95.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-36.6	-178.6	-63.7	162.3	0	0	0	111.7	N435 K436 E442 K443 I480 C483 L484 L487 C675	N435-I439 WeakPolarHBondContact O-CD1 3.09Å; N435-I439 VanDerWaalsContact O-CG1 3.3Å; N435-I439 WeakPolarHBondContact O-CG1 3.33Å; N435-I439 PolarHBondContact O-N 3.04Å; N435-I439 VanDerWaalsContact O-N 3.09Å; K436-I439 PolarHBondContact O-N 3.39Å; I439-E442 WeakPolarHBondContact O-CB 3.48Å; I439-E442 PolarHBondContact O-N 2.92Å; I439-K443 WeakPolarHBondContact O-CB 3.17Å; I439-K443 PolarHBondContact O-N 2.79Å; I439-I480 HydrophobicContact CG2-CB 4.47Å; I439-I480 HydrophobicContact CG2-CG2 3.77Å; I439-C483 HydrophobicContact CD1-CB 3.74Å; I439-C483 HydrophobicContact CG1-CB 4.45Å; I439-L484 HydrophobicContact CB-CD2 4.45Å; I439-L484 HydrophobicContact CG2-CD1 4.38Å; I439-L484 HydrophobicContact CG2-CD2 3.78Å; I439-L484 HydrophobicContact CG2-CG 3.81Å; I439-L487 HydrophobicContact CD1-CD1 3.42Å; I439-L487 VanDerWaalsContact CD1-CD1 3.42Å; I439-C675 HydrophobicContact CG1-CB 4.49Å; I439-C675 VanDerWaalsContact CG1-SG 3.6Å
440	E	96.2	Very high	96.1	Very high	101 Å²	101	55.7 Å²	55.7	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-38	174	-78.2	178.4	-176.3	0	0	111.8	K436 E437 I438 K443 S444	K436-E440 WeakPolarHBondContact CE-OE1 3.32Å; K436-E440 WeakPolarHBondContact O-CB 3.21Å; K436-E440 WeakPolarHBondContact O-CG 3.4Å; K436-E440 PolarHBondContact O-N 3.24Å; E437-E440 PolarHBondContact O-N 3.41Å; I438-E440 VanDerWaalsContact C-N 3.34Å; I438-E440 PolarHBondContact O-N 2.9Å; E440-K443 PolarHBondContact O-N 2.89Å; E440-S444 WeakPolarHBondContact O-CB 3.25Å; E440-S444 PolarHBondContact O-N 3.28Å
441	A	96.4	Very high	96.2	Very high	40 Å²	40	54.3 Å²	54.3	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-41.2	173.9	0	0	0	0	0	112.6	E437 I438 S444 S445	E437-A441 WeakPolarHBondContact O-CB 3.33Å; E437-A441 PolarHBondContact O-N 3.2Å; I438-A441 WeakPolarHBondContact O-CB 3.38Å; I438-A441 PolarHBondContact O-N 2.55Å; I438-A441 VanDerWaalsContact O-N 3.17Å; A441-S444 PolarHBondContact O-N 3.11Å; A441-S445 WeakPolarHBondContact O-CB 3.44Å; A441-S445 PolarHBondContact O-N 2.88Å; A441-S445 PolarHBondContact O-OG 3.25Å
442	E	96.8	Very high	96.3	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-49.3	172.1	-72.8	175.8	-168.2	0	0	111.2	I438 I439 S445 L446 I480 Q679 I682	I438-E442 WeakPolarHBondContact O-CG 3.45Å; I438-E442 PolarHBondContact O-N 2.83Å; I439-E442 WeakPolarHBondContact O-CB 3.48Å; I439-E442 PolarHBondContact O-N 2.92Å; E442-S445 PolarHBondContact O-N 3.47Å; E442-L446 PolarHBondContact O-N 3.13Å; E442-I480 HydrophobicContact CB-CD1 3.94Å; E442-I480 HydrophobicContact CB-CG1 4.36Å; E442-Q679 HydrophobicContact CG-CB 3.8Å; E442-Q679 HydrophobicContact CG-CG 4.18Å; E442-Q679 PolarHBondContact OE1-N 2.6Å; E442-I682 HydrophobicContact CB-CD1 3.79Å; E442-I682 HydrophobicContact CG-CD1 3.96Å
443	K	96.7	Very high	96.4	Very high	93 Å²	93	53.5 Å²	53.5	40%	0.404	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-46.8	178.4	-176.8	-176	172	-174.1	0	111.6	I439 E440 S445 L446 D447 I480	I439-K443 WeakPolarHBondContact O-CB 3.17Å; I439-K443 PolarHBondContact O-N 2.79Å; E440-K443 PolarHBondContact O-N 2.89Å; K443-S445 VanDerWaalsContact C-N 3.3Å; K443-S445 PolarHBondContact O-N 3.01Å; K443-L446 PolarHBondContact O-N 2.85Å; K443-D447 VanDerWaalsContact O-CG 3.32Å; K443-D447 PolarHBondContact O-N 3.08Å; K443-I480 HydrophobicContact CB-CG2 4.34Å
444	S	97.2	Very high	96.5	Very high	59 Å²	59	51.8 Å²	51.8	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-42.6	178.7	-167.5	0	0	0	0	111.5	E440 A441 L446 D447 D448	E440-S444 WeakPolarHBondContact O-CB 3.25Å; E440-S444 PolarHBondContact O-N 3.28Å; A441-S444 PolarHBondContact O-N 3.11Å; S444-L446 VanDerWaalsContact C-N 3.32Å; S444-L446 PolarHBondContact O-N 2.75Å; S444-D447 PolarHBondContact O-N 3.17Å; S444-D448 PolarHBondContact O-N 3.48Å
445	S	97	Very high	96.5	Very high	36 Å²	36	48.3 Å²	48.3	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-39.9	178.8	-62.8	0	0	0	0	112.4	A441 E442 K443 E449 C686	A441-S445 WeakPolarHBondContact O-CB 3.44Å; A441-S445 PolarHBondContact O-N 2.88Å; A441-S445 PolarHBondContact O-OG 3.25Å; E442-S445 PolarHBondContact O-N 3.47Å; K443-S445 VanDerWaalsContact C-N 3.3Å; K443-S445 PolarHBondContact O-N 3.01Å; S445-E449 PolarHBondContact O-N 2.89Å; S445-C686 PolarHBondContact O-SG 2.96Å
446	L	97.4	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.6	-39.2	174.8	-67.6	-179.8	0	0	0	112.5	E442 K443 S444 E450 N473 W476 R477 I480 I682 F685	E442-L446 PolarHBondContact O-N 3.13Å; K443-L446 PolarHBondContact O-N 2.85Å; S444-L446 VanDerWaalsContact C-N 3.32Å; S444-L446 PolarHBondContact O-N 2.75Å; L446-E450 VanDerWaalsContact O-CB 3.25Å; L446-E450 WeakPolarHBondContact O-CB 3.34Å; L446-E450 PolarHBondContact O-N 2.68Å; L446-N473 HydrophobicContact CD1-CB 4.44Å; L446-N473 HydrophobicContact CD2-CB 3.87Å; L446-W476 HydrophobicContact CD1-CB 3.84Å; L446-W476 HydrophobicContact CD2-CE3 4.32Å; L446-R477 HydrophobicContact CD1-CG 4.11Å; L446-I480 HydrophobicContact CD1-CD1 3.73Å; L446-I682 HydrophobicContact CD1-CD1 4.12Å; L446-I682 HydrophobicContact CD2-CG1 4.36Å; L446-I682 HydrophobicContact CD2-CG2 3.68Å; L446-I682 HydrophobicContact CG-CD1 4.38Å; L446-I682 HydrophobicContact CG-CG2 3.83Å; L446-F685 HydrophobicContact CD2-CD1 4.2Å; L446-F685 HydrophobicContact CD2-CE1 4.28Å
447	D	97.4	Very high	96.4	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.251	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-44.6	176.4	-72.7	-18.6	0	0	0	111	K443 S444 E450 N451 R477	K443-D447 VanDerWaalsContact O-CG 3.32Å; K443-D447 PolarHBondContact O-N 3.08Å; S444-D447 PolarHBondContact O-N 3.17Å; D447-E450 PolarHBondContact O-N 2.66Å; D447-N451 WeakPolarHBondContact O-CB 3.48Å; D447-N451 PolarHBondContact O-N 2.94Å; D447-N451 PolarHBondContact O-ND2 3.28Å; D447-R477 IonicContact OD1-CZ 3.69Å; D447-R477 IonicContact OD1-NH1 3.63Å; D447-R477 PolarHBondContact OD1-NH1 2.95Å; D447-R477 IonicContact OD1-NH2 3.93Å; D447-R477 PolarHBondContact OD1-NH2 2.89Å
448	D	97.2	Very high	96.3	Very high	103 Å²	103	51.2 Å²	51.2	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-63.9	-45.7	-180	-73.1	-23.9	0	0	0	112.5	S444 S452	S444-D448 PolarHBondContact O-N 3.48Å; D448-S452 WeakPolarHBondContact O-CB 3.46Å; D448-S452 PolarHBondContact O-N 3.22Å
449	E	96.5	Very high	96.2	Very high	15 Å²	15	56.3 Å²	56.3	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-44.4	177.9	-167	-74.5	150.1	0	0	111.2	S445 S452 D453 R466 S469 R689	S445-E449 PolarHBondContact O-N 2.89Å; E449-S452 PolarHBondContact O-N 3.2Å; E449-D453 WeakPolarHBondContact O-CB 3.37Å; E449-D453 PolarHBondContact O-N 3.36Å; E449-R466 IonicContact OE1-CZ 3.53Å; E449-R466 IonicContact OE1-NH1 2.83Å; E449-R466 IonicContact OE1-NH2 3.61Å; E449-R466 PolarHBondContact OE1-NH2 2.71Å; E449-S469 PolarHBondContact OE1-OG 3.43Å; E449-S469 WeakPolarHBondContact OE2-CB 3.44Å; E449-S469 PolarHBondContact OE2-OG 2.72Å; E449-R689 HydrophobicContact CG-CB 3.76Å; E449-R689 HydrophobicContact CG-CG 4.24Å; E449-R689 WeakPolarHBondContact OE1-CB 3.49Å; E449-R689 IonicContact OE1-CZ 2.81Å; E449-R689 IonicContact OE1-NE 2.7Å; E449-R689 PolarHBondContact OE1-NE 3.41Å; E449-R689 IonicContact OE1-NH2 2.82Å
450	E	96.7	Very high	96	Very high	33 Å²	33	59.4 Å²	59.4	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-40.9	-179.6	-175.7	177.2	159.9	0	0	112.1	L446 D447 S452 D453 N454 S470 N473 R477	L446-E450 VanDerWaalsContact O-CB 3.25Å; L446-E450 WeakPolarHBondContact O-CB 3.34Å; L446-E450 PolarHBondContact O-N 2.68Å; D447-E450 PolarHBondContact O-N 2.66Å; E450-S452 VanDerWaalsContact C-N 3.35Å; E450-D453 PolarHBondContact O-N 3.17Å; E450-N454 WeakPolarHBondContact O-CB 3.28Å; E450-N454 VanDerWaalsContact O-CG 3.25Å; E450-N454 PolarHBondContact O-N 3.19Å; E450-N454 PolarHBondContact O-ND2 3.39Å; E450-S470 VanDerWaalsContact OE1-CB 3.32Å; E450-S470 WeakPolarHBondContact OE1-CB 3.47Å; E450-N473 PolarHBondContact OE2-ND2 3.48Å; E450-R477 IonicContact OE2-CZ 2.87Å; E450-R477 IonicContact OE2-NE 2.75Å; E450-R477 PolarHBondContact OE2-NE 2.88Å; E450-R477 VanDerWaalsContact OE2-NE 3.08Å; E450-R477 IonicContact OE2-NH2 2.91Å; E450-R477 PolarHBondContact OE2-NH2 2.92Å
451	N	97.3	Very high	95.7	Very high	101 Å²	101	56.4 Å²	56.4	54%	0.54	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-42	174.8	-74.3	-31.1	0	0	0	111.2	D447 N454 S455	D447-N451 WeakPolarHBondContact O-CB 3.48Å; D447-N451 PolarHBondContact O-N 2.94Å; D447-N451 PolarHBondContact O-ND2 3.28Å; N451-N454 PolarHBondContact O-N 3.06Å; N451-S455 WeakPolarHBondContact O-CB 3.43Å; N451-S455 PolarHBondContact O-N 2.87Å
452	S	95.7	Very high	95.2	Very high	36 Å²	36	63.9 Å²	63.9	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-43.9	173.6	-175.6	0	0	0	0	111.4	D448 E449 E450 S455 L456	D448-S452 WeakPolarHBondContact O-CB 3.46Å; D448-S452 PolarHBondContact O-N 3.22Å; E449-S452 PolarHBondContact O-N 3.2Å; E450-S452 VanDerWaalsContact C-N 3.35Å; S452-S455 PolarHBondContact O-N 3.28Å; S452-L456 WeakPolarHBondContact O-CG 3.31Å; S452-L456 PolarHBondContact O-N 3.43Å; S452-L456 VanDerWaalsContact O-N 3.08Å
453	D	95.8	Very high	94.6	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-46.7	178.5	-171.8	46	0	0	0	111.9	E449 E450 S455 L456 R457 W464 R466 P468 S469 R689	E449-D453 WeakPolarHBondContact O-CB 3.37Å; E449-D453 PolarHBondContact O-N 3.36Å; E450-D453 PolarHBondContact O-N 3.17Å; D453-S455 PolarHBondContact O-N 3.07Å; D453-L456 PolarHBondContact O-N 3.32Å; D453-R457 WeakPolarHBondContact O-CB 3.48Å; D453-R457 PolarHBondContact O-N 2.88Å; D453-R457 IonicContact OD1-CZ 3.06Å; D453-R457 IonicContact OD1-NH1 2.91Å; D453-R457 IonicContact OD1-NH2 3.49Å; D453-R457 PolarHBondContact OD1-NH2 3.02Å; D453-R457 IonicContact OD2-CZ 2.69Å; D453-R457 VanDerWaalsContact OD2-CZ 3.3Å; D453-R457 IonicContact OD2-NH1 3.56Å; D453-R457 PolarHBondContact OD2-NH1 2.82Å; D453-R457 IonicContact OD2-NH2 2.64Å; D453-R457 PolarHBondContact OD2-NH2 3.09Å; D453-W464 PolarHBondContact OD1-NE1 2.97Å; D453-R466 VanDerWaalsContact CB-NH2 3.33Å; D453-R466 IonicContact OD1-CZ 3.64Å; D453-R466 VanDerWaalsContact OD1-CZ 3.22Å; D453-R466 IonicContact OD1-NE 3.97Å; D453-R466 PolarHBondContact OD1-NE 2.92Å; D453-R466 IonicContact OD1-NH2 2.8Å; D453-R466 PolarHBondContact OD1-NH2 2.89Å; D453-P468 WeakPolarHBondContact OD2-CA 3.32Å; D453-S469 VanDerWaalsContact CB-OG 3.25Å; D453-S469 WeakPolarHBondContact CB-OG 3.28Å; D453-S469 PolarHBondContact OD2-N 3.27Å; D453-S469 PolarHBondContact OD2-OG 2.88Å; D453-R689 IonicContact OD1-NH2 2.84Å; D453-R689 IonicContact OD2-NH2 2.87Å
454	N	96	Very high	94.3	Very high	52 Å²	52	66.5 Å²	66.5	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-38.5	179.7	-73.8	-28.5	0	0	0	112.1	E450 N451 K458	E450-N454 WeakPolarHBondContact O-CB 3.28Å; E450-N454 VanDerWaalsContact O-CG 3.25Å; E450-N454 PolarHBondContact O-N 3.19Å; E450-N454 PolarHBondContact O-ND2 3.39Å; N451-N454 PolarHBondContact O-N 3.06Å; N454-K458 WeakPolarHBondContact O-CG 2.76Å; N454-K458 PolarHBondContact O-N 3.46Å
455	S	96.2	Very high	93.8	Very high	74 Å²	74	68.4 Å²	68.4	52%	0.517	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-47.3	175.9	-170.2	0	0	0	0	111.5	N451 S452 D453 R457 K458 Q459	N451-S455 WeakPolarHBondContact O-CB 3.43Å; N451-S455 PolarHBondContact O-N 2.87Å; S452-S455 PolarHBondContact O-N 3.28Å; D453-S455 PolarHBondContact O-N 3.07Å; S455-R457 PolarHBondContact O-N 3.44Å; S455-K458 WeakPolarHBondContact O-CB 3.28Å; S455-K458 PolarHBondContact O-N 2.95Å; S455-Q459 PolarHBondContact O-N 3.02Å
456	L	94.5	Very high	93.3	Very high	16 Å²	16	67.3 Å²	67.3	8%	0.084	34%	0.343	C	S	.	.	H	α-helix	trans	-67.6	-37.1	179	-69.1	166.4	0	0	0	112.2	S452 D453 K458 Q459 Y460 W464 K693 M697	S452-L456 WeakPolarHBondContact O-CG 3.31Å; S452-L456 PolarHBondContact O-N 3.43Å; S452-L456 VanDerWaalsContact O-N 3.08Å; D453-L456 PolarHBondContact O-N 3.32Å; L456-K458 VanDerWaalsContact C-N 3.33Å; L456-K458 PolarHBondContact O-N 2.9Å; L456-Q459 PolarHBondContact O-N 3.21Å; L456-Q459 VanDerWaalsContact O-N 3.15Å; L456-Y460 HydrophobicContact CB-CD2 4.39Å; L456-Y460 HydrophobicContact CD2-CD2 4.16Å; L456-Y460 HydrophobicContact CD2-CE2 3.65Å; L456-Y460 WeakPolarHBondContact O-CD2 3.39Å; L456-Y460 PolarHBondContact O-N 3.09Å; L456-W464 HydrophobicContact CB-CD2 3.89Å; L456-W464 HydrophobicContact CB-CE3 4.17Å; L456-W464 HydrophobicContact CB-CG 4.47Å; L456-W464 HydrophobicContact CB-CH2 4.19Å; L456-W464 HydrophobicContact CB-CZ2 3.85Å; L456-W464 HydrophobicContact CB-CZ3 4.32Å; L456-W464 HydrophobicContact CD1-CH2 3.66Å; L456-W464 HydrophobicContact CD1-CZ2 3.62Å; L456-W464 HydrophobicContact CD1-CZ3 4.36Å; L456-W464 HydrophobicContact CG-CH2 4.43Å; L456-W464 HydrophobicContact CG-CZ2 4.36Å; L456-K693 HydrophobicContact CD1-CD 3.54Å; L456-K693 HydrophobicContact CD1-CG 3.47Å; L456-K693 VanDerWaalsContact CD1-CG 3.47Å; L456-M697 HydrophobicContact CD2-SD 3.89Å
457	R	94.6	Very high	92.9	Very high	56 Å²	56	73.5 Å²	73.5	21%	0.211	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-40.5	173.1	-168.7	169	-70.6	99.4	4.8	112	D453 S455 Q459 G461 W464 R466	D453-R457 WeakPolarHBondContact O-CB 3.48Å; D453-R457 PolarHBondContact O-N 2.88Å; D453-R457 IonicContact OD1-CZ 3.06Å; D453-R457 IonicContact OD1-NH1 2.91Å; D453-R457 IonicContact OD1-NH2 3.49Å; D453-R457 PolarHBondContact OD1-NH2 3.02Å; D453-R457 IonicContact OD2-CZ 2.69Å; D453-R457 VanDerWaalsContact OD2-CZ 3.3Å; D453-R457 IonicContact OD2-NH1 3.56Å; D453-R457 PolarHBondContact OD2-NH1 2.82Å; D453-R457 IonicContact OD2-NH2 2.64Å; D453-R457 PolarHBondContact OD2-NH2 3.09Å; S455-R457 PolarHBondContact O-N 3.44Å; R457-Q459 VanDerWaalsContact C-N 3.34Å; R457-G461 WeakPolarHBondContact O-CA 3.37Å; R457-G461 PolarHBondContact O-N 3.41Å; R457-W464 HydrophobicContact CB-CB 4.46Å; R457-W464 HydrophobicContact CB-CG 4.3Å; R457-R466 PolarHBondContact NH2-O 3.43Å
458	K	94.3	Very high	92.7	Very high	185 Å²	185	73.3 Å²	73.3	80%	0.804	37%	0.372	S	S	*	.	H	α-helix	trans	-64.4	-37.9	172.6	-74	175	-176	177.6	0	112.1	N454 S455 L456	N454-K458 WeakPolarHBondContact O-CG 2.76Å; N454-K458 PolarHBondContact O-N 3.46Å; S455-K458 WeakPolarHBondContact O-CB 3.28Å; S455-K458 PolarHBondContact O-N 2.95Å; L456-K458 VanDerWaalsContact C-N 3.33Å; L456-K458 PolarHBondContact O-N 2.9Å
459	Q	93.9	Very high	92.5	Very high	130 Å²	130	68.4 Å²	68.4	61%	0.607	35%	0.345	S	S	*	.	H	α-helix	trans	-73.6	-39.9	-177.4	-170	176.4	15	0	0	113.5	S455 L456 R457	S455-Q459 PolarHBondContact O-N 3.02Å; L456-Q459 PolarHBondContact O-N 3.21Å; L456-Q459 VanDerWaalsContact O-N 3.15Å; R457-Q459 VanDerWaalsContact C-N 3.34Å
460	Y	91.4	Very high	92.3	Very high	66 Å²	66	70.1 Å²	70.1	26%	0.259	36%	0.359	S	S	.	.	H	α-helix	trans	-108.2	-8.1	-172.5	-65	-68.4	0	0	0	114.4	L456 E462 R463 W464 I700	L456-Y460 HydrophobicContact CB-CD2 4.39Å; L456-Y460 HydrophobicContact CD2-CD2 4.16Å; L456-Y460 HydrophobicContact CD2-CE2 3.65Å; L456-Y460 WeakPolarHBondContact O-CD2 3.39Å; L456-Y460 PolarHBondContact O-N 3.09Å; Y460-E462 PolarHBondContact O-N 3.02Å; Y460-R463 PolarHBondContact O-N 3.1Å; Y460-R463 VanDerWaalsContact O-N 3.16Å; Y460-W464 AromaticContact CD2-CE3 4Å; Y460-W464 HydrophobicContact CD2-CE3 4Å; Y460-W464 HydrophobicContact CD2-CZ3 4.48Å; Y460-I700 HydrophobicContact CD1-CD1 4.3Å; Y460-I700 HydrophobicContact CD1-CG2 3.71Å; Y460-I700 HydrophobicContact CD2-CD1 4.4Å; Y460-I700 HydrophobicContact CE1-CG2 3.77Å; Y460-I700 HydrophobicContact CG-CD1 4.06Å
461	G	89.9	Confident	92	Very high	39 Å²	39	73.9 Å²	73.9	40%	0.402	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	56.7	-129.5	178.2	0	0	0	0	0	112	R457 R463 W464	R457-G461 WeakPolarHBondContact O-CA 3.37Å; R457-G461 PolarHBondContact O-N 3.41Å; G461-R463 PolarHBondContact O-N 3.5Å; G461-R463 VanDerWaalsContact O-N 3.15Å; G461-W464 PolarHBondContact O-N 2.93Å
462	E	86	Confident	91.7	Very high	196 Å²	196	72.4 Å²	72.4	92%	0.916	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-62	-20.5	-179.6	-66.8	-174.2	167.6	0	0	114.2	Y460 W464	Y460-E462 PolarHBondContact O-N 3.02Å; E462-W464 PolarHBondContact O-N 3.49Å
463	R	85.2	Confident	91.5	Very high	147 Å²	147	70.8 Å²	70.8	56%	0.555	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-71.2	-20.3	176	-56.4	-173.3	-157.2	-104.3	0.8	112.2	Y460 G461 S465 I700	Y460-R463 PolarHBondContact O-N 3.1Å; Y460-R463 VanDerWaalsContact O-N 3.16Å; G461-R463 PolarHBondContact O-N 3.5Å; G461-R463 VanDerWaalsContact O-N 3.15Å; R463-S465 VanDerWaalsContact C-N 3.27Å; R463-S465 PolarHBondContact O-N 3.38Å; R463-S465 VanDerWaalsContact O-N 3.14Å; R463-I700 HydrophobicContact CB-CD1 4.03Å; R463-I700 HydrophobicContact CB-CG1 4.16Å
464	W	90.8	Very high	91.3	Very high	5 Å²	5	78.1 Å²	78.1	2%	0.019	39%	0.389	C	S	.	.			trans	-86.7	68.6	173.5	-160	-105.2	0	0	0	110.7	D453 L456 R457 Y460 G461 E462 R466 K693 L696 M697 I700	D453-W464 PolarHBondContact OD1-NE1 2.97Å; L456-W464 HydrophobicContact CB-CD2 3.89Å; L456-W464 HydrophobicContact CB-CE3 4.17Å; L456-W464 HydrophobicContact CB-CG 4.47Å; L456-W464 HydrophobicContact CB-CH2 4.19Å; L456-W464 HydrophobicContact CB-CZ2 3.85Å; L456-W464 HydrophobicContact CB-CZ3 4.32Å; L456-W464 HydrophobicContact CD1-CH2 3.66Å; L456-W464 HydrophobicContact CD1-CZ2 3.62Å; L456-W464 HydrophobicContact CD1-CZ3 4.36Å; L456-W464 HydrophobicContact CG-CH2 4.43Å; L456-W464 HydrophobicContact CG-CZ2 4.36Å; R457-W464 HydrophobicContact CB-CB 4.46Å; R457-W464 HydrophobicContact CB-CG 4.3Å; Y460-W464 AromaticContact CD2-CE3 4Å; Y460-W464 HydrophobicContact CD2-CE3 4Å; Y460-W464 HydrophobicContact CD2-CZ3 4.48Å; G461-W464 PolarHBondContact O-N 2.93Å; E462-W464 PolarHBondContact O-N 3.49Å; W464-R466 VanDerWaalsContact C-N 3.27Å; W464-R466 HydrophobicContact CZ2-CG 4.46Å; W464-R466 VanDerWaalsContact CZ2-NE 3.32Å; W464-R466 PolarHBondContact O-N 3.36Å; W464-K693 HydrophobicContact CH2-CB 4.17Å; W464-K693 HydrophobicContact CH2-CG 3.62Å; W464-K693 HydrophobicContact CZ2-CB 4.38Å; W464-K693 HydrophobicContact CZ2-CG 3.91Å; W464-L696 HydrophobicContact CD2-CD2 3.86Å; W464-L696 HydrophobicContact CE3-CB 4.47Å; W464-L696 HydrophobicContact CE3-CD2 3.53Å; W464-L696 HydrophobicContact CG-CD2 4.45Å; W464-L696 HydrophobicContact CH2-CB 4.08Å; W464-L696 HydrophobicContact CH2-CD2 4.29Å; W464-L696 HydrophobicContact CZ3-CB 3.83Å; W464-L696 HydrophobicContact CZ3-CD2 3.76Å; W464-L696 HydrophobicContact CZ3-CG 4.4Å; W464-M697 HydrophobicContact CH2-CG 4.08Å; W464-M697 HydrophobicContact CZ3-CG 3.77Å; W464-I700 HydrophobicContact CE3-CD1 3.82Å; W464-I700 HydrophobicContact CZ3-CD1 4.22Å
465	S	85	Confident	90.8	Very high	99 Å²	99	79 Å²	79	69%	0.692	39%	0.393	S	S	*	.			trans	-82.3	7	-167.3	58.4	0	0	0	0	115.2	R463	R463-S465 VanDerWaalsContact C-N 3.27Å; R463-S465 PolarHBondContact O-N 3.38Å; R463-S465 VanDerWaalsContact O-N 3.14Å
466	R	87.8	Confident	90.7	Very high	13 Å²	13	77.8 Å²	77.8	5%	0.049	38%	0.377	C	S	.	.	S	Bend	trans	-75.9	153.2	177.3	73.8	-179.3	-163.7	161.1	3.3	112.3	E449 D453 R457 W464 R689 E692	E449-R466 IonicContact OE1-CZ 3.53Å; E449-R466 IonicContact OE1-NH1 2.83Å; E449-R466 IonicContact OE1-NH2 3.61Å; E449-R466 PolarHBondContact OE1-NH2 2.71Å; D453-R466 VanDerWaalsContact CB-NH2 3.33Å; D453-R466 IonicContact OD1-CZ 3.64Å; D453-R466 VanDerWaalsContact OD1-CZ 3.22Å; D453-R466 IonicContact OD1-NE 3.97Å; D453-R466 PolarHBondContact OD1-NE 2.92Å; D453-R466 IonicContact OD1-NH2 2.8Å; D453-R466 PolarHBondContact OD1-NH2 2.89Å; R457-R466 PolarHBondContact NH2-O 3.43Å; W464-R466 VanDerWaalsContact C-N 3.27Å; W464-R466 HydrophobicContact CZ2-CG 4.46Å; W464-R466 VanDerWaalsContact CZ2-NE 3.32Å; W464-R466 PolarHBondContact O-N 3.36Å; R466-R689 PolarHBondContact NH1-O 3.29Å; R466-E692 WeakPolarHBondContact CB-OE1 3.48Å; R466-E692 IonicContact NH1-OE2 2.98Å
467	K	88.6	Confident	90.6	Very high	131 Å²	131	80.3 Å²	80.3	57%	0.57	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-57.2	139.9	176.5	-77.4	-169.9	178.2	-176.5	0	111.3	S469 L472 R689	K467-S469 PolarHBondContact O-N 3.03Å; K467-L472 HydrophobicContact CB-CD1 4.23Å; K467-L472 HydrophobicContact CB-CG 4.41Å; K467-L472 HydrophobicContact CD-CD2 4.2Å; K467-R689 PolarHBondContact O-NH1 3.1Å; K467-R689 PolarHBondContact O-NH2 2.97Å
468	P	92.7	Very high	90.5	Very high	42 Å²	42	80.3 Å²	80.3	27%	0.273	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-59.7	134.6	176.3	-22.7	33.9	0	0	0	111.8	D453 S470 E471 L472	D453-P468 WeakPolarHBondContact OD2-CA 3.32Å; P468-S470 PolarHBondContact O-N 3.32Å; P468-E471 WeakPolarHBondContact O-CB 3.47Å; P468-E471 PolarHBondContact O-N 2.98Å; P468-E471 VanDerWaalsContact O-N 3.11Å; P468-L472 PolarHBondContact O-N 2.86Å
469	S	94	Very high	90.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-35.5	176.4	-64.5	0	0	0	0	113.2	E449 D453 K467 E471 L472 N473 R689	E449-S469 PolarHBondContact OE1-OG 3.43Å; E449-S469 WeakPolarHBondContact OE2-CB 3.44Å; E449-S469 PolarHBondContact OE2-OG 2.72Å; D453-S469 VanDerWaalsContact CB-OG 3.25Å; D453-S469 WeakPolarHBondContact CB-OG 3.28Å; D453-S469 PolarHBondContact OD2-N 3.27Å; D453-S469 PolarHBondContact OD2-OG 2.88Å; K467-S469 PolarHBondContact O-N 3.03Å; S469-E471 PolarHBondContact O-N 2.71Å; S469-L472 PolarHBondContact O-N 2.85Å; S469-N473 WeakPolarHBondContact O-CB 3.43Å; S469-N473 PolarHBondContact O-N 3.45Å; S469-N473 PolarHBondContact O-ND2 3.29Å; S469-N473 PolarHBondContact O-OD1 2.97Å; S469-R689 PolarHBondContact OG-NH2 3.25Å
470	S	92.6	Very high	90	Very high	51 Å²	51	67 Å²	67	36%	0.357	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-25	176.4	59	0	0	0	0	114.1	E450 P468 N473	E450-S470 VanDerWaalsContact OE1-CB 3.32Å; E450-S470 WeakPolarHBondContact OE1-CB 3.47Å; P468-S470 PolarHBondContact O-N 3.32Å; S470-N473 WeakPolarHBondContact CA-OD1 3.23Å; S470-N473 PolarHBondContact O-OD1 2.69Å
471	E	90.8	Very high	90.1	Very high	113 Å²	113	68.4 Å²	68.4	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-81.9	-38.5	175	-167.1	179.2	157.1	0	0	110.8	P468 S469	P468-E471 WeakPolarHBondContact O-CB 3.47Å; P468-E471 PolarHBondContact O-N 2.98Å; P468-E471 VanDerWaalsContact O-N 3.11Å; S469-E471 PolarHBondContact O-N 2.71Å
472	L	89.3	Confident	90.1	Very high	70 Å²	70	70.8 Å²	70.8	37%	0.366	34%	0.344	S	S	.	.	H	α-helix	trans	-79.1	-35.3	-176.1	-61.2	179.2	0	0	0	113.1	K467 P468 S469 F685	K467-L472 HydrophobicContact CB-CD1 4.23Å; K467-L472 HydrophobicContact CB-CG 4.41Å; K467-L472 HydrophobicContact CD-CD2 4.2Å; P468-L472 PolarHBondContact O-N 2.86Å; S469-L472 PolarHBondContact O-N 2.85Å; L472-F685 HydrophobicContact CB-CE2 3.94Å; L472-F685 HydrophobicContact CB-CZ 4.03Å; L472-F685 HydrophobicContact CD1-CE2 4.24Å
473	N	92.5	Very high	90.3	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.305	C	S	.	.	S	Bend	trans	-90	-1.9	-176.5	70	14	0	0	0	114.2	L446 E450 S469 S470 L475 W476 R477 F685	L446-N473 HydrophobicContact CD1-CB 4.44Å; L446-N473 HydrophobicContact CD2-CB 3.87Å; E450-N473 PolarHBondContact OE2-ND2 3.48Å; S469-N473 WeakPolarHBondContact O-CB 3.43Å; S469-N473 PolarHBondContact O-N 3.45Å; S469-N473 PolarHBondContact O-ND2 3.29Å; S469-N473 PolarHBondContact O-OD1 2.97Å; S470-N473 WeakPolarHBondContact CA-OD1 3.23Å; S470-N473 PolarHBondContact O-OD1 2.69Å; N473-L475 VanDerWaalsContact C-N 3.27Å; N473-L475 PolarHBondContact O-N 2.98Å; N473-W476 HydrophobicContact CB-CE3 4.4Å; N473-W476 PolarHBondContact O-N 3.24Å; N473-R477 PolarHBondContact O-N 3.02Å; N473-F685 HydrophobicContact CB-CE1 4.42Å
474	K	90.4	Very high	90.6	Very high	155 Å²	155	57.2 Å²	57.2	67%	0.674	29%	0.289	S	S	*	.	H	α-helix	trans	-55.6	-38.4	-171.2	-170.6	177.5	179.4	-177.8	0	113.6	S478	K474-S478 PolarHBondContact O-N 3.03Å
475	L	86.6	Confident	90.7	Very high	69 Å²	69	60.5 Å²	60.5	36%	0.361	31%	0.308	S	S	.	.	H	α-helix	trans	-67.6	-49.9	-179.4	-170.3	68.9	0	0	0	111	N473 R477 S478 D479	N473-L475 VanDerWaalsContact C-N 3.27Å; N473-L475 PolarHBondContact O-N 2.98Å; L475-R477 VanDerWaalsContact C-N 3.3Å; L475-R477 PolarHBondContact O-N 3.32Å; L475-S478 WeakPolarHBondContact O-CA 3.44Å; L475-S478 WeakPolarHBondContact O-CB 3.38Å; L475-S478 PolarHBondContact O-N 2.85Å; L475-D479 PolarHBondContact O-N 3.44Å
476	W	93.1	Very high	90.9	Very high	50 Å²	50	57 Å²	57	19%	0.189	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-39.9	176	-68.5	-51.5	0	0	0	112.2	L446 N473 S478 D479 I480 K681 I682 F685	L446-W476 HydrophobicContact CD1-CB 3.84Å; L446-W476 HydrophobicContact CD2-CE3 4.32Å; N473-W476 HydrophobicContact CB-CE3 4.4Å; N473-W476 PolarHBondContact O-N 3.24Å; W476-S478 VanDerWaalsContact C-N 3.29Å; W476-S478 PolarHBondContact O-N 2.88Å; W476-D479 PolarHBondContact O-N 3.19Å; W476-D479 VanDerWaalsContact O-N 3.17Å; W476-I480 WeakPolarHBondContact O-CB 3.3Å; W476-I480 VanDerWaalsContact O-CG1 3.27Å; W476-I480 WeakPolarHBondContact O-CG1 3.46Å; W476-I480 PolarHBondContact O-N 3.47Å; W476-K681 HydrophobicContact CZ2-CB 4.29Å; W476-I682 HydrophobicContact CB-CD1 4.17Å; W476-I682 HydrophobicContact CB-CG1 4.34Å; W476-I682 HydrophobicContact CD2-CG1 3.98Å; W476-I682 HydrophobicContact CE3-CG1 4.39Å; W476-I682 HydrophobicContact CG-CD1 4.22Å; W476-I682 HydrophobicContact CG-CG1 3.96Å; W476-F685 HydrophobicContact CH2-CB 3.64Å; W476-F685 AromaticContact CH2-CD2 3.97Å; W476-F685 HydrophobicContact CH2-CD2 3.97Å; W476-F685 AromaticContact CH2-CG 3.83Å; W476-F685 HydrophobicContact CH2-CG 3.83Å; W476-F685 HydrophobicContact CZ3-CB 3.72Å; W476-F685 AromaticContact CZ3-CD1 3.84Å; W476-F685 HydrophobicContact CZ3-CD1 3.84Å; W476-F685 AromaticContact CZ3-CD2 3.65Å; W476-F685 HydrophobicContact CZ3-CD2 3.65Å; W476-F685 HydrophobicContact CZ3-CE1 4.38Å; W476-F685 HydrophobicContact CZ3-CE2 4.2Å; W476-F685 AromaticContact CZ3-CG 3.44Å; W476-F685 HydrophobicContact CZ3-CG 3.44Å; W476-F685 VanDerWaalsContact CZ3-CG 3.44Å
477	R	94.1	Very high	91.1	Very high	69 Å²	69	56.8 Å²	56.8	26%	0.26	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-40.6	173.5	-72.5	-167	176.2	-79.7	4.3	112.4	L446 D447 E450 N473 L475 Q481	L446-R477 HydrophobicContact CD1-CG 4.11Å; D447-R477 IonicContact OD1-CZ 3.69Å; D447-R477 IonicContact OD1-NH1 3.63Å; D447-R477 PolarHBondContact OD1-NH1 2.95Å; D447-R477 IonicContact OD1-NH2 3.93Å; D447-R477 PolarHBondContact OD1-NH2 2.89Å; E450-R477 IonicContact OE2-CZ 2.87Å; E450-R477 IonicContact OE2-NE 2.75Å; E450-R477 PolarHBondContact OE2-NE 2.88Å; E450-R477 VanDerWaalsContact OE2-NE 3.08Å; E450-R477 IonicContact OE2-NH2 2.91Å; E450-R477 PolarHBondContact OE2-NH2 2.92Å; N473-R477 PolarHBondContact O-N 3.02Å; L475-R477 VanDerWaalsContact C-N 3.3Å; L475-R477 PolarHBondContact O-N 3.32Å; R477-Q481 PolarHBondContact O-N 3.37Å; R477-Q481 VanDerWaalsContact O-N 3.15Å
478	S	90.7	Very high	91.2	Very high	56 Å²	56	55.9 Å²	55.9	39%	0.392	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-39.4	175.6	-174.5	0	0	0	0	111.9	K474 L475 W476 Q481 K482	K474-S478 PolarHBondContact O-N 3.03Å; L475-S478 WeakPolarHBondContact O-CA 3.44Å; L475-S478 WeakPolarHBondContact O-CB 3.38Å; L475-S478 PolarHBondContact O-N 2.85Å; W476-S478 VanDerWaalsContact C-N 3.29Å; W476-S478 PolarHBondContact O-N 2.88Å; S478-Q481 PolarHBondContact O-N 2.72Å; S478-K482 WeakPolarHBondContact O-CG 3.2Å; S478-K482 PolarHBondContact O-N 3.39Å; S478-K482 VanDerWaalsContact O-N 3.15Å
479	D	86.1	Confident	91.1	Very high	27 Å²	27	60.2 Å²	60.2	14%	0.144	30%	0.295	C	S	.	.	H	α-helix	trans	-73.1	-41.3	-178	-65.9	-23.3	0	0	0	111.5	L475 W476 Q481 K482 C483	L475-D479 PolarHBondContact O-N 3.44Å; W476-D479 PolarHBondContact O-N 3.19Å; W476-D479 VanDerWaalsContact O-N 3.17Å; D479-Q481 VanDerWaalsContact C-N 3.28Å; D479-Q481 PolarHBondContact O-N 3.24Å; D479-K482 WeakPolarHBondContact O-CB 3.21Å; D479-K482 PolarHBondContact O-N 3.11Å; D479-K482 VanDerWaalsContact O-N 3.08Å; D479-K482 IonicContact OD1-NZ 3.13Å; D479-K482 PolarHBondContact OD1-NZ 3.07Å; D479-C483 PolarHBondContact O-N 3.32Å; D479-C483 PolarHBondContact O-SG 2.59Å; D479-C483 VanDerWaalsContact O-SG 3.39Å
480	I	93.4	Very high	90.8	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-52.2	-47.6	169.2	-75.5	165.9	0	0	0	110.7	I439 E442 K443 L446 W476 K482 C483 L484 I682	I439-I480 HydrophobicContact CG2-CB 4.47Å; I439-I480 HydrophobicContact CG2-CG2 3.77Å; E442-I480 HydrophobicContact CB-CD1 3.94Å; E442-I480 HydrophobicContact CB-CG1 4.36Å; K443-I480 HydrophobicContact CB-CG2 4.34Å; L446-I480 HydrophobicContact CD1-CD1 3.73Å; W476-I480 WeakPolarHBondContact O-CB 3.3Å; W476-I480 VanDerWaalsContact O-CG1 3.27Å; W476-I480 WeakPolarHBondContact O-CG1 3.46Å; W476-I480 PolarHBondContact O-N 3.47Å; I480-K482 VanDerWaalsContact C-N 3.33Å; I480-K482 PolarHBondContact O-N 3.11Å; I480-C483 PolarHBondContact O-N 3.26Å; I480-L484 HydrophobicContact CG2-CD1 4.16Å; I480-L484 WeakPolarHBondContact O-CG 3.29Å; I480-L484 PolarHBondContact O-N 3.1Å; I480-I682 HydrophobicContact CD1-CD1 4.12Å
481	Q	93.2	Very high	90.7	Very high	96 Å²	96	61.1 Å²	61.1	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-65.1	-36.4	-179.9	-170.4	61.1	58.2	0	0	112.4	R477 S478 D479 L484 N485	R477-Q481 PolarHBondContact O-N 3.37Å; R477-Q481 VanDerWaalsContact O-N 3.15Å; S478-Q481 PolarHBondContact O-N 2.72Å; D479-Q481 VanDerWaalsContact C-N 3.28Å; D479-Q481 PolarHBondContact O-N 3.24Å; Q481-L484 PolarHBondContact O-N 3.44Å; Q481-N485 PolarHBondContact NE2-OD1 3.08Å; Q481-N485 WeakPolarHBondContact O-CB 3.39Å; Q481-N485 PolarHBondContact O-N 3.43Å; Q481-N485 PolarHBondContact O-ND2 3.11Å; Q481-N485 PolarHBondContact O-OD1 3.38Å
482	K	89.7	Confident	90.5	Very high	90 Å²	90	62.1 Å²	62.1	39%	0.391	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-45.3	174.7	-68.1	168.6	-164.1	157.5	0	111	S478 D479 I480 L484 N485 L486	S478-K482 WeakPolarHBondContact O-CG 3.2Å; S478-K482 PolarHBondContact O-N 3.39Å; S478-K482 VanDerWaalsContact O-N 3.15Å; D479-K482 WeakPolarHBondContact O-CB 3.21Å; D479-K482 PolarHBondContact O-N 3.11Å; D479-K482 VanDerWaalsContact O-N 3.08Å; D479-K482 IonicContact OD1-NZ 3.13Å; D479-K482 PolarHBondContact OD1-NZ 3.07Å; I480-K482 VanDerWaalsContact C-N 3.33Å; I480-K482 PolarHBondContact O-N 3.11Å; K482-L484 VanDerWaalsContact C-N 3.33Å; K482-L484 PolarHBondContact O-N 2.79Å; K482-N485 PolarHBondContact O-N 3.45Å; K482-L486 WeakPolarHBondContact O-CB 3.39Å; K482-L486 PolarHBondContact O-N 2.81Å
483	C	90.4	Very high	90.2	Very high	15 Å²	15	61 Å²	61	10%	0.101	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-41.1	177.2	-65.5	0	0	0	0	111.8	I439 D479 I480 L486 L487 Y790	I439-C483 HydrophobicContact CD1-CB 3.74Å; I439-C483 HydrophobicContact CG1-CB 4.45Å; D479-C483 PolarHBondContact O-N 3.32Å; D479-C483 PolarHBondContact O-SG 2.59Å; D479-C483 VanDerWaalsContact O-SG 3.39Å; I480-C483 PolarHBondContact O-N 3.26Å; C483-L486 WeakPolarHBondContact O-CB 3.43Å; C483-L486 PolarHBondContact O-N 3.42Å; C483-L487 PolarHBondContact O-N 3.39Å; C483-Y790 PolarHBondContact SG-OH 3.04Å
484	L	91.8	Very high	90.1	Very high	42 Å²	42	61.7 Å²	61.7	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-45.3	174.7	-72.1	173.7	0	0	0	112.3	I439 I480 Q481 K482 L486 L487 E488	I439-L484 HydrophobicContact CB-CD2 4.45Å; I439-L484 HydrophobicContact CG2-CD1 4.38Å; I439-L484 HydrophobicContact CG2-CD2 3.78Å; I439-L484 HydrophobicContact CG2-CG 3.81Å; I480-L484 HydrophobicContact CG2-CD1 4.16Å; I480-L484 WeakPolarHBondContact O-CG 3.29Å; I480-L484 PolarHBondContact O-N 3.1Å; Q481-L484 PolarHBondContact O-N 3.44Å; K482-L484 VanDerWaalsContact C-N 3.33Å; K482-L484 PolarHBondContact O-N 2.79Å; L484-L486 VanDerWaalsContact C-N 3.32Å; L484-L486 PolarHBondContact O-N 3.27Å; L484-L487 PolarHBondContact O-N 3.48Å; L484-E488 PolarHBondContact O-N 3.35Å
485	N	91.6	Very high	89.9	Confident	75 Å²	75	57 Å²	57	40%	0.401	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-39.2	178.3	-67.6	-6.7	0	0	0	111.5	Q481 K482 E488 Q489	Q481-N485 PolarHBondContact NE2-OD1 3.08Å; Q481-N485 WeakPolarHBondContact O-CB 3.39Å; Q481-N485 PolarHBondContact O-N 3.43Å; Q481-N485 PolarHBondContact O-ND2 3.11Å; Q481-N485 PolarHBondContact O-OD1 3.38Å; K482-N485 PolarHBondContact O-N 3.45Å; N485-E488 PolarHBondContact O-N 3.5Å; N485-Q489 WeakPolarHBondContact O-CG 3.4Å; N485-Q489 PolarHBondContact O-N 2.88Å
486	L	90.2	Very high	90.1	Very high	25 Å²	25	56.1 Å²	56.1	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-49.7	174.4	175.9	73.1	0	0	0	111.4	K482 C483 L484 E488 Q489 T490 F667 L671 Y790	K482-L486 WeakPolarHBondContact O-CB 3.39Å; K482-L486 PolarHBondContact O-N 2.81Å; C483-L486 WeakPolarHBondContact O-CB 3.43Å; C483-L486 PolarHBondContact O-N 3.42Å; L484-L486 VanDerWaalsContact C-N 3.32Å; L484-L486 PolarHBondContact O-N 3.27Å; L486-E488 VanDerWaalsContact C-N 3.26Å; L486-E488 PolarHBondContact O-N 3.44Å; L486-Q489 PolarHBondContact O-N 2.95Å; L486-Q489 VanDerWaalsContact O-N 3.16Å; L486-T490 HydrophobicContact CD1-CG2 4.46Å; L486-T490 PolarHBondContact O-N 3.18Å; L486-T490 PolarHBondContact O-OG1 3.38Å; L486-F667 HydrophobicContact CD1-CZ 4.18Å; L486-F667 HydrophobicContact CD2-CE1 4.38Å; L486-F667 HydrophobicContact CD2-CE2 3.93Å; L486-F667 HydrophobicContact CD2-CZ 3.37Å; L486-F667 HydrophobicContact CG-CZ 3.91Å; L486-L671 HydrophobicContact CD2-CD1 4.31Å; L486-L671 HydrophobicContact CD2-CD2 4.33Å; L486-Y790 HydrophobicContact CB-CE1 3.69Å; L486-Y790 HydrophobicContact CD1-CD1 3.73Å; L486-Y790 HydrophobicContact CD1-CE1 3.57Å; L486-Y790 HydrophobicContact CD2-CD1 3.87Å; L486-Y790 HydrophobicContact CD2-CE1 3.06Å; L486-Y790 HydrophobicContact CG-CD1 4.21Å; L486-Y790 HydrophobicContact CG-CE1 3.54Å
487	L	92.1	Very high	90.1	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-57.5	-43.1	178.7	-84.9	166.5	0	0	0	110.7	V432 N435 I439 C483 L484 Q489 T490 T491 Y668 L671	V432-L487 HydrophobicContact CG1-CD2 4.24Å; N435-L487 HydrophobicContact CB-CD1 4.23Å; N435-L487 HydrophobicContact CB-CD2 4.23Å; I439-L487 HydrophobicContact CD1-CD1 3.42Å; I439-L487 VanDerWaalsContact CD1-CD1 3.42Å; C483-L487 PolarHBondContact O-N 3.39Å; L484-L487 PolarHBondContact O-N 3.48Å; L487-Q489 PolarHBondContact O-N 3.38Å; L487-T490 WeakPolarHBondContact CA-OG1 3.47Å; L487-T490 PolarHBondContact O-N 2.77Å; L487-T490 PolarHBondContact O-OG1 2.91Å; L487-T491 VanDerWaalsContact O-CB 3.31Å; L487-T491 WeakPolarHBondContact O-CB 3.09Å; L487-T491 PolarHBondContact O-N 2.96Å; L487-T491 PolarHBondContact O-OG1 2.97Å; L487-Y668 HydrophobicContact CD2-CD1 4.32Å; L487-Y668 HydrophobicContact CD2-CE1 3.67Å; L487-L671 HydrophobicContact CD2-CD2 3.92Å; L487-L671 HydrophobicContact CG-CD2 4.08Å
488	E	90.7	Very high	89.9	Confident	112 Å²	112	53.5 Å²	53.5	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-40.4	177.8	-160.7	-161.4	145.3	0	0	112.4	L484 N485 L486 K492	L484-E488 PolarHBondContact O-N 3.35Å; N485-E488 PolarHBondContact O-N 3.5Å; L486-E488 VanDerWaalsContact C-N 3.26Å; L486-E488 PolarHBondContact O-N 3.44Å; E488-K492 WeakPolarHBondContact O-CG 3.33Å; E488-K492 IonicContact OE1-NZ 3.56Å; E488-K492 PolarHBondContact OE1-NZ 3.48Å
489	Q	89.5	Confident	89.9	Confident	133 Å²	133	56.4 Å²	56.4	62%	0.621	30%	0.296	S	S	*	.	H	α-helix	trans	-68.5	-46.9	177.7	-74.3	179.4	-4.6	0	0	112.1	N485 L486 L487 K492 T493	N485-Q489 WeakPolarHBondContact O-CG 3.4Å; N485-Q489 PolarHBondContact O-N 2.88Å; L486-Q489 PolarHBondContact O-N 2.95Å; L486-Q489 VanDerWaalsContact O-N 3.16Å; L487-Q489 PolarHBondContact O-N 3.38Å; Q489-K492 PolarHBondContact O-N 3.48Å; Q489-T493 PolarHBondContact O-N 3.35Å
490	T	89.1	Confident	90.2	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-67.2	-37.9	-179.8	35.1	0	0	0	0	112.2	L486 L487 K492 T493 D494 F667 Y668 Y793	L486-T490 HydrophobicContact CD1-CG2 4.46Å; L486-T490 PolarHBondContact O-N 3.18Å; L486-T490 PolarHBondContact O-OG1 3.38Å; L487-T490 WeakPolarHBondContact CA-OG1 3.47Å; L487-T490 PolarHBondContact O-N 2.77Å; L487-T490 PolarHBondContact O-OG1 2.91Å; T490-K492 PolarHBondContact O-N 2.93Å; T490-T493 CarbonylContact O-C 3.55Å; T490-T493 WeakPolarHBondContact O-CA 3.42Å; T490-T493 WeakPolarHBondContact O-CB 3.44Å; T490-T493 PolarHBondContact O-N 3.36Å; T490-D494 PolarHBondContact O-N 3.25Å; T490-F667 HydrophobicContact CG2-CE1 3.99Å; T490-F667 HydrophobicContact CG2-CZ 3.99Å; T490-Y668 WeakPolarHBondContact CB-OH 3.3Å; T490-Y668 PolarHBondContact OG1-OH 3.34Å; T490-Y793 HydrophobicContact CG2-CD2 3.83Å; T490-Y793 HydrophobicContact CG2-CE2 4.27Å
491	T	88.8	Confident	90.3	Very high	61 Å²	61	57.5 Å²	57.5	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-34.7	176	-54.4	0	0	0	0	112.2	L487 T493 D494 A495	L487-T491 VanDerWaalsContact O-CB 3.31Å; L487-T491 WeakPolarHBondContact O-CB 3.09Å; L487-T491 PolarHBondContact O-N 2.96Å; L487-T491 PolarHBondContact O-OG1 2.97Å; T491-T493 VanDerWaalsContact C-N 3.34Å; T491-D494 PolarHBondContact O-N 3.29Å; T491-A495 PolarHBondContact O-N 3.34Å; T491-A495 VanDerWaalsContact O-N 3.13Å
492	K	86.3	Confident	90.3	Very high	135 Å²	135	57 Å²	57	59%	0.587	30%	0.295	S	S	*	.	H	α-helix	trans	-67.4	-36.3	175.4	-69.8	169.5	-172.3	164.1	0	111.7	E488 Q489 T490	E488-K492 WeakPolarHBondContact O-CG 3.33Å; E488-K492 IonicContact OE1-NZ 3.56Å; E488-K492 PolarHBondContact OE1-NZ 3.48Å; Q489-K492 PolarHBondContact O-N 3.48Å; T490-K492 PolarHBondContact O-N 2.93Å
493	T	84.6	Confident	90.5	Very high	46 Å²	46	60.5 Å²	60.5	28%	0.282	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-42.5	175	-54.8	0	0	0	0	111.1	Q489 T490 T491 A495 S496	Q489-T493 PolarHBondContact O-N 3.35Å; T490-T493 CarbonylContact O-C 3.55Å; T490-T493 WeakPolarHBondContact O-CA 3.42Å; T490-T493 WeakPolarHBondContact O-CB 3.44Å; T490-T493 PolarHBondContact O-N 3.36Å; T491-T493 VanDerWaalsContact C-N 3.34Å; T493-A495 VanDerWaalsContact C-N 3.3Å; T493-A495 PolarHBondContact O-N 3.04Å; T493-S496 WeakPolarHBondContact O-CB 3.32Å; T493-S496 PolarHBondContact O-N 3.04Å; T493-S496 PolarHBondContact O-OG 3.36Å
494	D	89.7	Confident	90.5	Very high	16 Å²	16	61 Å²	61	9%	0.086	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-33.5	-178.7	-67.4	-14.1	0	0	0	113	I428 T490 T491 S496 L497 Y668	I428-D494 HydrophobicContact CG2-CB 4.11Å; I428-D494 WeakPolarHBondContact CG2-OD2 3.37Å; T490-D494 PolarHBondContact O-N 3.25Å; T491-D494 PolarHBondContact O-N 3.29Å; D494-S496 PolarHBondContact O-N 3.33Å; D494-S496 VanDerWaalsContact O-N 3.16Å; D494-L497 VanDerWaalsContact O-CB 3.31Å; D494-L497 WeakPolarHBondContact O-CB 3.32Å; D494-L497 PolarHBondContact O-N 3.4Å; D494-Y668 VanDerWaalsContact OD2-CE2 3.26Å; D494-Y668 WeakPolarHBondContact OD2-CE2 3.44Å; D494-Y668 PolarHBondContact OD2-OH 2.93Å
495	A	87.2	Confident	90.7	Very high	56 Å²	56	62.5 Å²	62.5	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-54.3	-34.6	173.7	0	0	0	0	0	112	T491 T493 L497 L498 D499	T491-A495 PolarHBondContact O-N 3.34Å; T491-A495 VanDerWaalsContact O-N 3.13Å; T493-A495 VanDerWaalsContact C-N 3.3Å; T493-A495 PolarHBondContact O-N 3.04Å; A495-L497 VanDerWaalsContact C-N 3.27Å; A495-L497 PolarHBondContact O-N 3.46Å; A495-L498 PolarHBondContact O-N 2.82Å; A495-D499 PolarHBondContact O-N 3.41Å
496	S	89.8	Confident	90.8	Very high	50 Å²	50	65.2 Å²	65.2	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-69.2	-22.2	177.7	77.5	0	0	0	0	113.8	T493 D494 D499 R500	T493-S496 WeakPolarHBondContact O-CB 3.32Å; T493-S496 PolarHBondContact O-N 3.04Å; T493-S496 PolarHBondContact O-OG 3.36Å; D494-S496 PolarHBondContact O-N 3.33Å; D494-S496 VanDerWaalsContact O-N 3.16Å; S496-D499 PolarHBondContact O-N 3.45Å; S496-R500 VanDerWaalsContact O-CG 3.25Å; S496-R500 WeakPolarHBondContact O-CG 3.29Å; S496-R500 PolarHBondContact O-N 3.2Å
497	L	92.6	Very high	90.9	Very high	12 Å²	12	65.4 Å²	65.4	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-69.5	-37.5	178.7	-56.8	179.2	0	0	0	111.1	L425 I428 D494 A495 R500 Y501 L657 A660 A664	L425-L497 HydrophobicContact CD2-CB 3.67Å; I428-L497 HydrophobicContact CD1-CD1 4.08Å; D494-L497 VanDerWaalsContact O-CB 3.31Å; D494-L497 WeakPolarHBondContact O-CB 3.32Å; D494-L497 PolarHBondContact O-N 3.4Å; A495-L497 VanDerWaalsContact C-N 3.27Å; A495-L497 PolarHBondContact O-N 3.46Å; L497-R500 PolarHBondContact O-N 3.17Å; L497-Y501 PolarHBondContact O-N 2.9Å; L497-L657 HydrophobicContact CB-CD1 4.04Å; L497-L657 HydrophobicContact CD2-CD1 3.98Å; L497-A660 HydrophobicContact CD2-CB 3.99Å; L497-A664 HydrophobicContact CD1-CB 4.49Å
498	L	90.8	Very high	91.1	Very high	53 Å²	53	65 Å²	65	28%	0.277	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-43.3	174.4	-114.4	148.7	0	0	0	111	Y422 L425 A495 R500 Y501 E502	Y422-L498 HydrophobicContact CE2-CD2 4.39Å; L425-L498 HydrophobicContact CD2-CG 4.17Å; A495-L498 PolarHBondContact O-N 2.82Å; L498-R500 VanDerWaalsContact C-N 3.31Å; L498-R500 PolarHBondContact O-N 3.36Å; L498-Y501 WeakPolarHBondContact O-CB 3.2Å; L498-Y501 PolarHBondContact O-N 2.92Å; L498-E502 PolarHBondContact O-N 3.42Å
499	D	91.3	Very high	91.3	Very high	117 Å²	117	64.2 Å²	64.2	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-61.1	-40.1	175.2	-68.4	-26	0	0	0	112	A495 S496 E502 K503	A495-D499 PolarHBondContact O-N 3.41Å; S496-D499 PolarHBondContact O-N 3.45Å; D499-E502 PolarHBondContact O-N 3.41Å; D499-K503 WeakPolarHBondContact O-CB 3.45Å; D499-K503 PolarHBondContact O-N 3.4Å; D499-K503 VanDerWaalsContact O-N 3.1Å
500	R	91.5	Very high	91.4	Very high	52 Å²	52	58.7 Å²	58.7	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-42	174.7	-74.5	173.1	68.3	-170.7	1.6	111.8	S496 L497 L498 E653 L657	S496-R500 VanDerWaalsContact O-CG 3.25Å; S496-R500 WeakPolarHBondContact O-CG 3.29Å; S496-R500 PolarHBondContact O-N 3.2Å; L497-R500 PolarHBondContact O-N 3.17Å; L498-R500 VanDerWaalsContact C-N 3.31Å; L498-R500 PolarHBondContact O-N 3.36Å; R500-E653 IonicContact CZ-OE1 3.87Å; R500-E653 IonicContact NE-OE1 3.8Å; R500-E653 PolarHBondContact NE-OE1 3.43Å; R500-E653 IonicContact NH2-OE1 2.89Å; R500-E653 PolarHBondContact NH2-OE1 3.35Å; R500-E653 IonicContact NH2-OE2 2.75Å; R500-E653 PolarHBondContact NH2-OE2 3.18Å; R500-L657 HydrophobicContact CB-CD1 4.31Å
501	Y	95.2	Very high	91.6	Very high	5 Å²	5	58.3 Å²	58.3	2%	0.02	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-53.4	175.5	-177.6	-91.3	0	0	0	111.4	A418 L421 Y422 L425 L497 L498 K503 H504 K505 F508 L657	A418-Y501 PolarHBondContact O-OH 3.16Å; A418-Y501 VanDerWaalsContact O-OH 3.13Å; L421-Y501 HydrophobicContact CB-CE2 4.37Å; L421-Y501 HydrophobicContact CD2-CD2 4.05Å; L421-Y501 HydrophobicContact CD2-CE2 4.16Å; L421-Y501 HydrophobicContact CG-CD2 4.14Å; L421-Y501 HydrophobicContact CG-CE2 4.17Å; Y422-Y501 AromaticContact CD2-CD1 3.71Å; Y422-Y501 HydrophobicContact CD2-CD1 3.71Å; Y422-Y501 AromaticContact CD2-CE1 3.37Å; Y422-Y501 HydrophobicContact CD2-CE1 3.37Å; Y422-Y501 HydrophobicContact CD2-CG 4.45Å; Y422-Y501 AromaticContact CD2-CZ 3.87Å; Y422-Y501 HydrophobicContact CE2-CD1 4.22Å; Y422-Y501 HydrophobicContact CE2-CE1 4.08Å; Y422-Y501 HydrophobicContact CG-CE1 4.08Å; L425-Y501 HydrophobicContact CD1-CD2 3.74Å; L425-Y501 HydrophobicContact CD1-CG 3.83Å; L497-Y501 PolarHBondContact O-N 2.9Å; L498-Y501 WeakPolarHBondContact O-CB 3.2Å; L498-Y501 PolarHBondContact O-N 2.92Å; Y501-K503 VanDerWaalsContact C-N 3.25Å; Y501-K503 PolarHBondContact O-N 2.89Å; Y501-H504 CarbonylContact O-C 3.57Å; Y501-H504 PolarHBondContact O-N 3.2Å; Y501-K505 HydrophobicContact CE1-CB 4.24Å; Y501-K505 HydrophobicContact CE1-CD 4.19Å; Y501-K505 HydrophobicContact CE1-CG 3.99Å; Y501-K505 PolarHBondContact O-N 3.49Å; Y501-F508 AromaticContact CD2-CD2 3.89Å; Y501-F508 HydrophobicContact CD2-CD2 3.89Å; Y501-F508 AromaticContact CD2-CE2 3.85Å; Y501-F508 HydrophobicContact CD2-CE2 3.85Å; Y501-F508 AromaticContact CE2-CD2 3.78Å; Y501-F508 HydrophobicContact CE2-CD2 3.78Å; Y501-F508 HydrophobicContact CE2-CE2 4.23Å; Y501-F508 HydrophobicContact CG-CE2 4.49Å; Y501-L657 HydrophobicContact CD2-CD2 4.16Å
502	E	94.3	Very high	91.9	Very high	84 Å²	84	57 Å²	57	39%	0.393	29%	0.286	S	S	.	.	H	α-helix	trans	-60.3	-35.5	-176.9	-71.5	-61.2	154.6	0	0	112.2	L498 D499 H504 K505	L498-E502 PolarHBondContact O-N 3.42Å; D499-E502 PolarHBondContact O-N 3.41Å; E502-H504 VanDerWaalsContact C-N 3.26Å; E502-H504 PolarHBondContact O-N 3.28Å; E502-K505 WeakPolarHBondContact OE2-CD 3.33Å; E502-K505 IonicContact OE2-NZ 2.66Å
503	K	92.1	Very high	92.2	Very high	164 Å²	164	54 Å²	54	71%	0.713	27%	0.273	S	S	*	.	H	α-helix	trans	-61.1	-30.8	176.5	-174.5	-179.7	176	-172.9	0	113.8	D499 Y501	D499-K503 WeakPolarHBondContact O-CB 3.45Å; D499-K503 PolarHBondContact O-N 3.4Å; D499-K503 VanDerWaalsContact O-N 3.1Å; Y501-K503 VanDerWaalsContact C-N 3.25Å; Y501-K503 PolarHBondContact O-N 2.89Å
504	H	92.4	Very high	92.5	Very high	27 Å²	27	54.8 Å²	54.8	13%	0.125	28%	0.279	C	S	.	.	H	α-helix	trans	-115.3	4.3	-175.8	-70.6	-85.2	0	0	0	113.9	Y501 E502 E506 H507 F508	Y501-H504 CarbonylContact O-C 3.57Å; Y501-H504 PolarHBondContact O-N 3.2Å; E502-H504 VanDerWaalsContact C-N 3.26Å; E502-H504 PolarHBondContact O-N 3.28Å; H504-E506 PolarHBondContact O-N 3.38Å; H504-H507 WeakPolarHBondContact O-CB 3.35Å; H504-H507 PolarHBondContact O-N 2.99Å; H504-F508 HydrophobicContact CB-CD1 4.16Å; H504-F508 HydrophobicContact CB-CD2 4.34Å; H504-F508 HydrophobicContact CB-CE1 3.53Å; H504-F508 HydrophobicContact CB-CE2 3.79Å; H504-F508 HydrophobicContact CB-CZ 3.35Å; H504-F508 WeakPolarHBondContact O-CG 3.32Å; H504-F508 PolarHBondContact O-N 3.36Å
505	K	94.6	Very high	92.4	Very high	72 Å²	72	58.6 Å²	58.6	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-48.1	-54.5	-172.6	178.2	177	179.6	173.7	0	114.2	Y501 E502 H507 F508 E509	Y501-K505 HydrophobicContact CE1-CB 4.24Å; Y501-K505 HydrophobicContact CE1-CD 4.19Å; Y501-K505 HydrophobicContact CE1-CG 3.99Å; Y501-K505 PolarHBondContact O-N 3.49Å; E502-K505 WeakPolarHBondContact OE2-CD 3.33Å; E502-K505 IonicContact OE2-NZ 2.66Å; K505-H507 VanDerWaalsContact C-N 3.26Å; K505-H507 PolarHBondContact O-N 3.39Å; K505-F508 WeakPolarHBondContact O-CB 3.38Å; K505-F508 PolarHBondContact O-N 3.46Å; K505-F508 VanDerWaalsContact O-N 3.12Å; K505-E509 VanDerWaalsContact CE-OE1 3.24Å; K505-E509 WeakPolarHBondContact CE-OE1 3.5Å; K505-E509 WeakPolarHBondContact O-CG 3.28Å; K505-E509 PolarHBondContact O-N 2.89Å
506	E	93.6	Very high	92.4	Very high	132 Å²	132	61.5 Å²	61.5	62%	0.617	30%	0.304	S	S	*	.	H	α-helix	trans	-57.8	-40.7	-178.6	-175.1	178.9	-178.3	0	0	111.8	H504 E509 I510	H504-E506 PolarHBondContact O-N 3.38Å; E506-E509 PolarHBondContact O-N 3.29Å; E506-I510 HydrophobicContact CG-CD1 4.31Å; E506-I510 VanDerWaalsContact O-CG1 3.29Å; E506-I510 WeakPolarHBondContact O-CG1 3.2Å; E506-I510 PolarHBondContact O-N 3.2Å
507	H	93	Very high	92.4	Very high	30 Å²	30	63.7 Å²	63.7	14%	0.139	31%	0.309	C	S	.	.	H	α-helix	trans	-71.8	-35.4	179.6	-54.9	91.3	0	0	0	112	H504 K505 E509 I510 L511 M646 L647 A650	H504-H507 WeakPolarHBondContact O-CB 3.35Å; H504-H507 PolarHBondContact O-N 2.99Å; K505-H507 VanDerWaalsContact C-N 3.26Å; K505-H507 PolarHBondContact O-N 3.39Å; H507-E509 VanDerWaalsContact C-N 3.33Å; H507-I510 PolarHBondContact O-N 3.04Å; H507-L511 VanDerWaalsContact O-CG 3.31Å; H507-L511 WeakPolarHBondContact O-CG 3.33Å; H507-L511 PolarHBondContact O-N 3.03Å; H507-M646 WeakPolarHBondContact NE2-CB 3.29Å; H507-L647 HydrophobicContact CB-CD2 4.41Å; H507-A650 HydrophobicContact CB-CB 3.43Å; H507-A650 VanDerWaalsContact CB-CB 3.43Å
508	F	95.2	Very high	92	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-40.8	172.2	-60.5	-22.2	0	0	0	111.4	A418 L421 Y501 H504 K505 I510 L511 S512 A650 E653 Y654 L657	A418-F508 HydrophobicContact CB-CB 3.79Å; L421-F508 HydrophobicContact CD2-CE2 4.49Å; Y501-F508 AromaticContact CD2-CD2 3.89Å; Y501-F508 HydrophobicContact CD2-CD2 3.89Å; Y501-F508 AromaticContact CD2-CE2 3.85Å; Y501-F508 HydrophobicContact CD2-CE2 3.85Å; Y501-F508 AromaticContact CE2-CD2 3.78Å; Y501-F508 HydrophobicContact CE2-CD2 3.78Å; Y501-F508 HydrophobicContact CE2-CE2 4.23Å; Y501-F508 HydrophobicContact CG-CE2 4.49Å; H504-F508 HydrophobicContact CB-CD1 4.16Å; H504-F508 HydrophobicContact CB-CD2 4.34Å; H504-F508 HydrophobicContact CB-CE1 3.53Å; H504-F508 HydrophobicContact CB-CE2 3.79Å; H504-F508 HydrophobicContact CB-CZ 3.35Å; H504-F508 WeakPolarHBondContact O-CG 3.32Å; H504-F508 PolarHBondContact O-N 3.36Å; K505-F508 WeakPolarHBondContact O-CB 3.38Å; K505-F508 PolarHBondContact O-N 3.46Å; K505-F508 VanDerWaalsContact O-N 3.12Å; F508-I510 VanDerWaalsContact C-N 3.35Å; F508-L511 PolarHBondContact O-N 2.71Å; F508-S512 WeakPolarHBondContact O-CB 3.43Å; F508-S512 PolarHBondContact O-N 3.39Å; F508-S512 PolarHBondContact O-OG 3.09Å; F508-A650 HydrophobicContact CD1-CB 4.02Å; F508-A650 HydrophobicContact CE1-CB 4Å; F508-A650 WeakPolarHBondContact CE1-O 3.34Å; F508-E653 HydrophobicContact CE1-CB 4.44Å; F508-E653 HydrophobicContact CZ-CB 4.44Å; F508-E653 HydrophobicContact CZ-CG 4.11Å; F508-Y654 HydrophobicContact CD1-CD2 4.21Å; F508-Y654 HydrophobicContact CG-CD2 4.23Å; F508-L657 HydrophobicContact CE2-CD2 4.24Å
509	E	95.3	Very high	91.6	Very high	94 Å²	94	64.3 Å²	64.3	44%	0.439	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-42.4	175.6	-71.2	173.8	-171.7	0	0	110.9	A418 K505 E506 H507 S512 K513	A418-E509 HydrophobicContact CB-CG 4.12Å; K505-E509 VanDerWaalsContact CE-OE1 3.24Å; K505-E509 WeakPolarHBondContact CE-OE1 3.5Å; K505-E509 WeakPolarHBondContact O-CG 3.28Å; K505-E509 PolarHBondContact O-N 2.89Å; E506-E509 PolarHBondContact O-N 3.29Å; H507-E509 VanDerWaalsContact C-N 3.33Å; E509-S512 PolarHBondContact O-N 3.47Å; E509-K513 PolarHBondContact O-N 3.41Å
510	I	93.1	Very high	91.2	Very high	18 Å²	18	61.4 Å²	61.4	9%	0.092	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-48	174.7	-65.1	164.8	0	0	0	111.3	E506 H507 F508 S512 K513 L518 L643 L647	E506-I510 HydrophobicContact CG-CD1 4.31Å; E506-I510 VanDerWaalsContact O-CG1 3.29Å; E506-I510 WeakPolarHBondContact O-CG1 3.2Å; E506-I510 PolarHBondContact O-N 3.2Å; H507-I510 PolarHBondContact O-N 3.04Å; F508-I510 VanDerWaalsContact C-N 3.35Å; I510-S512 PolarHBondContact O-N 2.91Å; I510-K513 WeakPolarHBondContact O-CB 3.1Å; I510-K513 PolarHBondContact O-N 3.44Å; I510-K513 VanDerWaalsContact O-N 3.14Å; I510-L518 HydrophobicContact CG2-CD1 3.71Å; I510-L643 HydrophobicContact CD1-CD1 4.19Å; I510-L647 HydrophobicContact CB-CD2 3.9Å; I510-L647 HydrophobicContact CG2-CD1 4.27Å; I510-L647 HydrophobicContact CG2-CD2 3.6Å
511	L	93.1	Very high	90.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-24.6	177.3	-72.4	169.5	0	0	0	113.2	I405 A409 V412 H507 F508 K513 L647 A650 A651	I405-L511 HydrophobicContact CG2-CD2 4.16Å; A409-L511 HydrophobicContact CB-CD2 4.03Å; V412-L511 HydrophobicContact CG1-CB 4.28Å; H507-L511 VanDerWaalsContact O-CG 3.31Å; H507-L511 WeakPolarHBondContact O-CG 3.33Å; H507-L511 PolarHBondContact O-N 3.03Å; F508-L511 PolarHBondContact O-N 2.71Å; L511-K513 VanDerWaalsContact C-N 3.34Å; L511-L647 HydrophobicContact CD2-CB 4.18Å; L511-L647 HydrophobicContact CD2-CD2 4.08Å; L511-L647 HydrophobicContact CG-CD2 3.91Å; L511-A650 HydrophobicContact CD1-CB 3.9Å; L511-A651 HydrophobicContact CD1-CB 3.88Å
512	S	94.8	Very high	89.9	Confident	33 Å²	33	61.1 Å²	61.1	23%	0.231	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-11.7	179.7	-58.2	0	0	0	0	113.4	G417 A418 F508 E509 I510	G417-S512 VanDerWaalsContact CA-OG 3.28Å; G417-S512 WeakPolarHBondContact CA-OG 3.26Å; A418-S512 PolarHBondContact N-OG 2.94Å; F508-S512 WeakPolarHBondContact O-CB 3.43Å; F508-S512 PolarHBondContact O-N 3.39Å; F508-S512 PolarHBondContact O-OG 3.09Å; E509-S512 PolarHBondContact O-N 3.47Å; I510-S512 PolarHBondContact O-N 2.91Å
513	K	93.1	Very high	88.9	Confident	73 Å²	73	61.8 Å²	61.8	32%	0.317	31%	0.308	S	S	.	.	S	Bend	trans	-67.3	156.4	-179.2	-68.8	-172.9	179.6	-174.9	0	112.8	R413 E509 I510 L511 E517 L521	R413-K513 WeakPolarHBondContact CD-O 3.39Å; R413-K513 PolarHBondContact NH1-O 3.03Å; E509-K513 PolarHBondContact O-N 3.41Å; I510-K513 WeakPolarHBondContact O-CB 3.1Å; I510-K513 PolarHBondContact O-N 3.44Å; I510-K513 VanDerWaalsContact O-N 3.14Å; L511-K513 VanDerWaalsContact C-N 3.34Å; K513-E517 HydrophobicContact CB-CB 4.36Å; K513-L521 HydrophobicContact CD-CD1 3.96Å
514	P	90.2	Very high	87.9	Confident	63 Å²	63	57.7 Å²	57.7	41%	0.409	30%	0.3	S	S	.	.			trans	-50.4	148.1	168.5	-26.6	36.4	0	0	0	112.3	D516 E517 L518	P514-D516 VanDerWaalsContact C-N 3.3Å; P514-D516 WeakPolarHBondContact CB-OD1 3.36Å; P514-D516 PolarHBondContact O-N 3.45Å; P514-E517 PolarHBondContact O-N 3.32Å; P514-L518 PolarHBondContact O-N 3.25Å
515	E	88	Confident	86.6	Confident	96 Å²	96	60 Å²	60	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-39.4	-172.6	172.1	159.2	-166.4	0	0	113.4	L406 L518 Q519	L406-E515 HydrophobicContact CD2-CG 3.61Å; E515-L518 PolarHBondContact O-N 3.39Å; E515-Q519 VanDerWaalsContact O-CB 3.31Å; E515-Q519 WeakPolarHBondContact O-CB 3.06Å; E515-Q519 PolarHBondContact O-N 3.03Å
516	D	86.1	Confident	84.8	Confident	116 Å²	116	59.2 Å²	59.2	62%	0.62	32%	0.317	S	S	*	.	H	α-helix	trans	-64.2	-44.7	176.6	54.7	-40	0	0	0	112.7	P514 A520	P514-D516 VanDerWaalsContact C-N 3.3Å; P514-D516 WeakPolarHBondContact CB-OD1 3.36Å; P514-D516 PolarHBondContact O-N 3.45Å; D516-A520 WeakPolarHBondContact O-CB 3.33Å; D516-A520 PolarHBondContact O-N 2.98Å
517	E	89.4	Confident	82.5	Confident	97 Å²	97	61.4 Å²	61.4	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-66.9	-41.7	175.7	-72.2	-173.4	-149.4	0	0	112.2	K513 P514 A520 L521	K513-E517 HydrophobicContact CB-CB 4.36Å; P514-E517 PolarHBondContact O-N 3.32Å; E517-A520 PolarHBondContact O-N 2.85Å; E517-L521 PolarHBondContact O-N 2.82Å
518	L	85.9	Confident	80.2	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-44.2	178.2	177.8	61.3	0	0	0	111	L406 A409 I510 P514 E515 L521 I522 L647	L406-L518 HydrophobicContact CD2-CD2 4.42Å; A409-L518 HydrophobicContact CB-CD2 3.58Å; I510-L518 HydrophobicContact CG2-CD1 3.71Å; P514-L518 PolarHBondContact O-N 3.25Å; E515-L518 PolarHBondContact O-N 3.39Å; L518-L521 WeakPolarHBondContact O-CB 3.5Å; L518-L521 PolarHBondContact O-N 2.74Å; L518-I522 HydrophobicContact CD1-CD1 4.21Å; L518-I522 HydrophobicContact CG-CD1 4.07Å; L518-I522 WeakPolarHBondContact O-CG1 3.25Å; L518-I522 PolarHBondContact O-N 3.09Å; L518-L647 HydrophobicContact CD1-CD1 4.3Å
519	Q	82.3	Confident	77.4	Confident	78 Å²	78	74.1 Å²	74.1	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-64.7	-41.9	178.5	-168.7	177.5	-23.9	0	0	111.4	E515 L521 I522 E523	E515-Q519 VanDerWaalsContact O-CB 3.31Å; E515-Q519 WeakPolarHBondContact O-CB 3.06Å; E515-Q519 PolarHBondContact O-N 3.03Å; Q519-L521 VanDerWaalsContact C-N 3.33Å; Q519-L521 PolarHBondContact O-N 2.89Å; Q519-I522 PolarHBondContact O-N 2.89Å; Q519-E523 WeakPolarHBondContact CG-OE1 3.27Å; Q519-E523 PolarHBondContact NE2-OE1 3.46Å; Q519-E523 WeakPolarHBondContact O-CG 3.26Å; Q519-E523 PolarHBondContact O-N 3.33Å
520	A	82.9	Confident	74.4	Confident	55 Å²	55	78.7 Å²	78.7	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-39.4	175.1	0	0	0	0	0	112.8	D516 E517 E523 S524	D516-A520 WeakPolarHBondContact O-CB 3.33Å; D516-A520 PolarHBondContact O-N 2.98Å; E517-A520 PolarHBondContact O-N 2.85Å; A520-E523 PolarHBondContact O-N 3.04Å; A520-S524 WeakPolarHBondContact O-CB 3.42Å; A520-S524 PolarHBondContact O-N 2.84Å
521	L	82.3	Confident	71.7	Confident	51 Å²	51	83.2 Å²	83.2	27%	0.267	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-46.5	174.5	-98.6	142.7	0	0	0	111.6	K513 E517 L518 Q519 S524 D525	K513-L521 HydrophobicContact CD-CD1 3.96Å; E517-L521 PolarHBondContact O-N 2.82Å; L518-L521 WeakPolarHBondContact O-CB 3.5Å; L518-L521 PolarHBondContact O-N 2.74Å; Q519-L521 VanDerWaalsContact C-N 3.33Å; Q519-L521 PolarHBondContact O-N 2.89Å; L521-S524 PolarHBondContact O-N 2.94Å; L521-S524 PolarHBondContact O-OG 3.36Å; L521-D525 PolarHBondContact O-N 2.89Å
522	I	76.5	Confident	69	Low	1 Å²	1	85.7 Å²	85.7	1%	0.005	47%	0.47	C	S	.	.	H	α-helix	trans	-61.3	-45.4	177	-70.7	168.2	0	0	0	111.3	T402 I405 L518 Q519 S524 D525 S526 L644 L647	T402-I522 HydrophobicContact CG2-CD1 4.21Å; T402-I522 HydrophobicContact CG2-CG2 4.28Å; I405-I522 HydrophobicContact CG2-CD1 4.43Å; L518-I522 HydrophobicContact CD1-CD1 4.21Å; L518-I522 HydrophobicContact CG-CD1 4.07Å; L518-I522 WeakPolarHBondContact O-CG1 3.25Å; L518-I522 PolarHBondContact O-N 3.09Å; Q519-I522 PolarHBondContact O-N 2.89Å; I522-S524 VanDerWaalsContact C-N 3.29Å; I522-S524 PolarHBondContact O-N 3.14Å; I522-D525 PolarHBondContact O-N 3.45Å; I522-S526 PolarHBondContact O-N 2.98Å; I522-S526 PolarHBondContact O-OG 3.09Å; I522-L644 HydrophobicContact CB-CD2 4.43Å; I522-L644 HydrophobicContact CD1-CD2 4.06Å; I522-L644 HydrophobicContact CG1-CD2 3.94Å; I522-L644 HydrophobicContact CG2-CD1 4.36Å; I522-L644 HydrophobicContact CG2-CD2 3.71Å; I522-L644 HydrophobicContact CG2-CG 4.31Å; I522-L647 HydrophobicContact CG1-CD1 4.33Å
523	E	72.8	Confident	66.4	Low	98 Å²	98	89.3 Å²	89.3	46%	0.458	49%	0.491	S	S	.	.	H	α-helix	trans	-64.9	-33.4	179	-72.7	174.7	-169.1	0	0	112.2	Q519 A520	Q519-E523 WeakPolarHBondContact CG-OE1 3.27Å; Q519-E523 PolarHBondContact NE2-OE1 3.46Å; Q519-E523 WeakPolarHBondContact O-CG 3.26Å; Q519-E523 PolarHBondContact O-N 3.33Å; A520-E523 PolarHBondContact O-N 3.04Å
524	S	70.9	Confident	64.2	Low	78 Å²	78	94.2 Å²	94.2	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-70.4	-35	179.2	75.6	0	0	0	0	113.7	A520 L521 I522 S526	A520-S524 WeakPolarHBondContact O-CB 3.42Å; A520-S524 PolarHBondContact O-N 2.84Å; L521-S524 PolarHBondContact O-N 2.94Å; L521-S524 PolarHBondContact O-OG 3.36Å; I522-S524 VanDerWaalsContact C-N 3.29Å; I522-S524 PolarHBondContact O-N 3.14Å; S524-S526 VanDerWaalsContact C-N 3.3Å
525	D	65.4	Low	62.4	Low	76 Å²	76	94.7 Å²	94.7	41%	0.406	52%	0.524	S	S	.	.	H	α-helix	trans	-76.9	-18.8	179.9	-158.7	54.1	0	0	0	112.3	L521 I522 K527 L643	L521-D525 PolarHBondContact O-N 2.89Å; I522-D525 PolarHBondContact O-N 3.45Å; D525-K527 VanDerWaalsContact C-N 3.29Å; D525-K527 PolarHBondContact O-N 2.89Å; D525-L643 HydrophobicContact CB-CB 4.34Å; D525-L643 HydrophobicContact CB-CD2 4.05Å; D525-L643 WeakPolarHBondContact OD2-CB 3.38Å; D525-L643 PolarHBondContact OD2-N 2.81Å
526	S	56.6	Low	60.7	Low	55 Å²	55	96.3 Å²	96.3	39%	0.385	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	5	-173.7	-58.1	0	0	0	0	115	I522 S524 F528	I522-S526 PolarHBondContact O-N 2.98Å; I522-S526 PolarHBondContact O-OG 3.09Å; S524-S526 VanDerWaalsContact C-N 3.3Å; S526-F528 PolarHBondContact O-N 3.27Å
527	K	45.2	Very low	59.8	Low	177 Å²	177	93.7 Å²	93.7	77%	0.77	52%	0.522	S	S	*	.			trans	-86.6	78.5	-178.9	-72.7	-175.8	179	175.9	0	112.3	D525	D525-K527 VanDerWaalsContact C-N 3.29Å; D525-K527 PolarHBondContact O-N 2.89Å
528	F	44.4	Very low	59.2	Low	189 Å²	189	93.4 Å²	93.4	83%	0.829	52%	0.521	S	S	*	.			trans	-135.5	155.2	165.1	-83.5	-78.4	0	0	0	111.9	S526	S526-F528 PolarHBondContact O-N 3.27Å
529	P	37.5	Very low	58.9	Low	108 Å²	108	99.7 Å²	99.7	70%	0.701	55%	0.55	S	S	*	*			trans	-88.4	140.5	-136.2	33.2	-36.1	0	0	0	114.4	S531	P529-S531 PolarHBondContact O-N 3.49Å
530	E	32.1	Very low	58.9	Low	191 Å²	191	97.2 Å²	97.2	89%	0.893	54%	0.539	S	S	*	.			trans	-54	107.1	159.2	-70.1	179	154.3	0	0	109.3
531	S	35.6	Very low	58.7	Low	113 Å²	113	95.6 Å²	95.6	79%	0.79	52%	0.522	S	S	*	.			trans	-133.4	118.4	161.2	-171.4	0	0	0	0	109.1	P529	P529-S531 PolarHBondContact O-N 3.49Å
532	G	36.8	Very low	58.7	Low	51 Å²	51	96 Å²	96	53%	0.526	53%	0.529	S	S	.	.			trans	-64.1	139.5	-164.7	0	0	0	0	0	115.6
533	T	41.4	Very low	59.2	Low	109 Å²	109	99 Å²	99	67%	0.669	54%	0.543	S	S	*	.			trans	-168.1	93.4	146.6	15.1	0	0	0	0	106.9
534	E	46.7	Very low	59.9	Low	177 Å²	177	94.3 Å²	94.3	83%	0.827	52%	0.521	S	S	*	.			trans	-103.4	14.9	-141.8	-67.5	177.4	159.8	0	0	117.4
535	A	51.6	Low	60.5	Low	72 Å²	72	92.5 Å²	92.5	60%	0.595	51%	0.507	S	S	*	.	S	Bend	trans	-129.3	-60.4	-179.9	0	0	0	0	0	114.8	N537 E538	A535-N537 VanDerWaalsContact C-N 3.29Å; A535-N537 PolarHBondContact O-N 3.4Å; A535-E538 PolarHBondContact O-N 3.08Å
536	N	51.7	Low	61.5	Low	130 Å²	130	93.7 Å²	93.7	70%	0.695	51%	0.51	S	S	*	.	H	α-helix	trans	-67.9	-27.5	-177.4	-78.9	1.2	0	0	0	113.5
537	N	68.9	Low	63.2	Low	62 Å²	62	91.8 Å²	91.8	33%	0.332	50%	0.495	S	S	.	.	H	α-helix	trans	-74.6	-27.8	178.6	-80.7	-18.5	0	0	0	112.8	A535 K541 F630	A535-N537 VanDerWaalsContact C-N 3.29Å; A535-N537 PolarHBondContact O-N 3.4Å; N537-K541 WeakPolarHBondContact O-CB 3.5Å; N537-K541 PolarHBondContact O-N 3.47Å; N537-F630 HydrophobicContact CB-CE2 4.25Å
538	E	74.8	Confident	65.2	Low	91 Å²	91	83.6 Å²	83.6	43%	0.425	46%	0.46	S	S	.	.	H	α-helix	trans	-75.3	-36.3	-179.4	-79.6	-63.5	149.7	0	0	112.5	A535 K541 S542	A535-E538 PolarHBondContact O-N 3.08Å; E538-K541 IonicContact OE1-NZ 2.78Å; E538-K541 PolarHBondContact OE1-NZ 3.04Å; E538-K541 IonicContact OE2-NZ 3.75Å; E538-S542 WeakPolarHBondContact O-CB 3.47Å; E538-S542 PolarHBondContact O-N 3.49Å
539	E	80.9	Confident	67.2	Low	132 Å²	132	77.9 Å²	77.9	62%	0.617	44%	0.438	S	S	*	.	H	α-helix	trans	-65.7	-49.3	173.9	-171.8	171.6	-160.9	0	0	111.4	K541 S542 E543	E539-K541 VanDerWaalsContact C-N 3.31Å; E539-K541 PolarHBondContact O-N 2.95Å; E539-S542 WeakPolarHBondContact O-CB 3.11Å; E539-S542 PolarHBondContact O-N 2.83Å; E539-E543 WeakPolarHBondContact O-CG 3.45Å; E539-E543 PolarHBondContact O-N 2.96Å
540	L	81.2	Confident	69.8	Low	25 Å²	25	77.8 Å²	77.8	13%	0.131	43%	0.427	C	S	.	.	H	α-helix	trans	-58.9	-40	175.3	-88	158.6	0	0	0	112.6	E543 L544 K626 M629 F630	L540-E543 PolarHBondContact O-N 3.14Å; L540-L544 WeakPolarHBondContact O-CB 3.5Å; L540-L544 WeakPolarHBondContact O-CG 3.2Å; L540-L544 PolarHBondContact O-N 3.49Å; L540-K626 HydrophobicContact CD2-CB 4.47Å; L540-K626 HydrophobicContact CD2-CD 3.83Å; L540-M629 HydrophobicContact CD2-CB 4.23Å; L540-M629 HydrophobicContact CD2-CE 4.47Å; L540-F630 HydrophobicContact CB-CD2 4.06Å
541	K	78.8	Confident	72.6	Confident	21 Å²	21	68.7 Å²	68.7	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-66.7	-39.7	177	-179.6	-176.3	175.7	-167.9	0	112.3	L393 N537 E538 E539 T545 F630	L393-K541 HydrophobicContact CB-CG 4.13Å; L393-K541 HydrophobicContact CD2-CB 4.37Å; L393-K541 HydrophobicContact CD2-CG 3.98Å; L393-K541 WeakPolarHBondContact O-CE 3Å; N537-K541 WeakPolarHBondContact O-CB 3.5Å; N537-K541 PolarHBondContact O-N 3.47Å; E538-K541 IonicContact OE1-NZ 2.78Å; E538-K541 PolarHBondContact OE1-NZ 3.04Å; E538-K541 IonicContact OE2-NZ 3.75Å; E539-K541 VanDerWaalsContact C-N 3.31Å; E539-K541 PolarHBondContact O-N 2.95Å; K541-T545 WeakPolarHBondContact O-CB 3.45Å; K541-T545 PolarHBondContact O-N 2.71Å; K541-T545 PolarHBondContact O-OG1 2.58Å; K541-F630 HydrophobicContact CB-CE2 4.01Å
542	S	82.8	Confident	75	Confident	59 Å²	59	65.2 Å²	65.2	41%	0.413	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-46.5	172.6	-177.4	0	0	0	0	111.4	E538 E539 T545 Q546	E538-S542 WeakPolarHBondContact O-CB 3.47Å; E538-S542 PolarHBondContact O-N 3.49Å; E539-S542 WeakPolarHBondContact O-CB 3.11Å; E539-S542 PolarHBondContact O-N 2.83Å; S542-T545 WeakPolarHBondContact O-CB 3.44Å; S542-T545 PolarHBondContact O-N 3Å; S542-Q546 WeakPolarHBondContact O-CG 3.47Å; S542-Q546 PolarHBondContact O-N 2.84Å
543	E	87.2	Confident	77.6	Confident	64 Å²	64	65.6 Å²	65.6	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-46.9	176.6	-72.2	-175	169.3	0	0	112.2	E539 L540 T545 Q546 L547 K626	E539-E543 WeakPolarHBondContact O-CG 3.45Å; E539-E543 PolarHBondContact O-N 2.96Å; L540-E543 PolarHBondContact O-N 3.14Å; E543-T545 VanDerWaalsContact C-N 3.3Å; E543-T545 PolarHBondContact O-N 2.84Å; E543-Q546 WeakPolarHBondContact O-CB 3.31Å; E543-Q546 PolarHBondContact O-N 3.31Å; E543-L547 WeakPolarHBondContact O-CG 3.36Å; E543-L547 PolarHBondContact O-N 2.88Å; E543-K626 IonicContact OE1-NZ 3.68Å; E543-K626 WeakPolarHBondContact OE2-CD 3.47Å; E543-K626 VanDerWaalsContact OE2-CE 3.23Å; E543-K626 WeakPolarHBondContact OE2-CE 3.21Å; E543-K626 IonicContact OE2-NZ 3.71Å; E543-K626 PolarHBondContact OE2-NZ 2.92Å
544	L	87.1	Confident	80.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-38	176.4	-79.3	168.5	0	0	0	112.1	L389 L393 L540 L547 C548 L623 K626 A627 F630	L389-L544 HydrophobicContact CD1-CD2 4.32Å; L393-L544 HydrophobicContact CD1-CB 3.63Å; L393-L544 HydrophobicContact CD2-CB 3.83Å; L393-L544 HydrophobicContact CD2-CD1 3.88Å; L393-L544 HydrophobicContact CG-CB 4.39Å; L540-L544 WeakPolarHBondContact O-CB 3.5Å; L540-L544 WeakPolarHBondContact O-CG 3.2Å; L540-L544 PolarHBondContact O-N 3.49Å; L544-L547 PolarHBondContact O-N 2.94Å; L544-C548 PolarHBondContact O-N 3.25Å; L544-C548 PolarHBondContact O-SG 3.09Å; L544-L623 HydrophobicContact CD2-CD1 4.22Å; L544-L623 HydrophobicContact CD2-CG 4.43Å; L544-K626 HydrophobicContact CD2-CB 3.78Å; L544-K626 HydrophobicContact CG-CB 4.11Å; L544-A627 HydrophobicContact CD2-CB 4.12Å; L544-F630 HydrophobicContact CD1-CB 3.71Å; L544-F630 HydrophobicContact CD1-CD1 4.33Å; L544-F630 HydrophobicContact CD1-CD2 4.34Å; L544-F630 HydrophobicContact CD1-CG 3.88Å
545	T	83.8	Confident	82.1	Confident	40 Å²	40	53.2 Å²	53.2	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-43.4	175.3	-58	0	0	0	0	110.7	K541 S542 E543 C548 N549	K541-T545 WeakPolarHBondContact O-CB 3.45Å; K541-T545 PolarHBondContact O-N 2.71Å; K541-T545 PolarHBondContact O-OG1 2.58Å; S542-T545 WeakPolarHBondContact O-CB 3.44Å; S542-T545 PolarHBondContact O-N 3Å; E543-T545 VanDerWaalsContact C-N 3.3Å; E543-T545 PolarHBondContact O-N 2.84Å; T545-C548 PolarHBondContact O-N 2.87Å; T545-N549 PolarHBondContact O-N 3.28Å; T545-N549 VanDerWaalsContact O-N 3.08Å; T545-N549 PolarHBondContact O-ND2 3.08Å
546	Q	87.2	Confident	83.9	Confident	101 Å²	101	53.7 Å²	53.7	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-39.9	175.7	-69.1	179	22.5	0	0	112.2	S542 E543 N549 K550	S542-Q546 WeakPolarHBondContact O-CG 3.47Å; S542-Q546 PolarHBondContact O-N 2.84Å; E543-Q546 WeakPolarHBondContact O-CB 3.31Å; E543-Q546 PolarHBondContact O-N 3.31Å; Q546-N549 PolarHBondContact O-N 3.12Å; Q546-K550 WeakPolarHBondContact O-CG 3.31Å; Q546-K550 PolarHBondContact O-N 2.97Å
547	L	91.3	Very high	85.9	Confident	16 Å²	16	51 Å²	51	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-43.6	176.2	-73.2	170.3	0	0	0	111.8	E543 L544 N549 K550 L551 L619 D622 L623 K626	E543-L547 WeakPolarHBondContact O-CG 3.36Å; E543-L547 PolarHBondContact O-N 2.88Å; L544-L547 PolarHBondContact O-N 2.94Å; L547-N549 VanDerWaalsContact C-N 3.35Å; L547-N549 PolarHBondContact O-N 3.11Å; L547-K550 PolarHBondContact O-N 3.43Å; L547-L551 WeakPolarHBondContact O-CG 3.4Å; L547-L551 PolarHBondContact O-N 3.48Å; L547-L619 HydrophobicContact CD2-CD2 3.67Å; L547-D622 HydrophobicContact CD1-CB 4.27Å; L547-D622 HydrophobicContact CD2-CB 4.15Å; L547-L623 HydrophobicContact CB-CD1 3.82Å; L547-L623 HydrophobicContact CD1-CB 4.39Å; L547-K626 HydrophobicContact CD1-CB 4.46Å; L547-K626 HydrophobicContact CD1-CG 4.28Å
548	C	87.8	Confident	87.1	Confident	4 Å²	4	48 Å²	48	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-45.2	175	-66	0	0	0	0	111.7	P390 L544 T545 K550 L551 E552	P390-C548 HydrophobicContact CB-CB 4.1Å; L544-C548 PolarHBondContact O-N 3.25Å; L544-C548 PolarHBondContact O-SG 3.09Å; T545-C548 PolarHBondContact O-N 2.87Å; C548-K550 PolarHBondContact O-N 3.14Å; C548-L551 PolarHBondContact O-N 3.11Å; C548-E552 PolarHBondContact O-N 3.42Å
549	N	86.1	Confident	87.8	Confident	69 Å²	69	48.4 Å²	48.4	37%	0.369	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-39.4	178.1	-68.8	-23.3	0	0	0	112.4	T545 Q546 L547 E552 S553	T545-N549 PolarHBondContact O-N 3.28Å; T545-N549 VanDerWaalsContact O-N 3.08Å; T545-N549 PolarHBondContact O-ND2 3.08Å; Q546-N549 PolarHBondContact O-N 3.12Å; L547-N549 VanDerWaalsContact C-N 3.35Å; L547-N549 PolarHBondContact O-N 3.11Å; N549-E552 PolarHBondContact O-N 2.87Å; N549-S553 PolarHBondContact O-N 3.05Å
550	K	91.9	Very high	88.4	Confident	106 Å²	106	46.7 Å²	46.7	46%	0.461	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-39.7	175.3	-72.5	173.3	-176.5	175.5	0	111.9	Q546 L547 C548 S553 I554 L619	Q546-K550 WeakPolarHBondContact O-CG 3.31Å; Q546-K550 PolarHBondContact O-N 2.97Å; L547-K550 PolarHBondContact O-N 3.43Å; C548-K550 PolarHBondContact O-N 3.14Å; K550-S553 WeakPolarHBondContact O-CB 3.34Å; K550-S553 PolarHBondContact O-N 3.22Å; K550-I554 PolarHBondContact O-N 2.98Å; K550-L619 HydrophobicContact CB-CD1 3.97Å; K550-L619 HydrophobicContact CB-CD2 4.25Å; K550-L619 HydrophobicContact CD-CD2 3.94Å
551	L	91.9	Very high	89.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-39.4	176.5	-74.1	168.9	0	0	0	112.3	V380 L384 L547 C548 I554 K555 L619 L620 L623	V380-L551 HydrophobicContact CG1-CB 4Å; V380-L551 HydrophobicContact CG1-CD1 4.43Å; V380-L551 HydrophobicContact CG1-CD2 4.26Å; V380-L551 HydrophobicContact CG1-CG 4.47Å; V380-L551 HydrophobicContact CG2-CD2 4.28Å; L384-L551 HydrophobicContact CD2-CD1 4.09Å; L547-L551 WeakPolarHBondContact O-CG 3.4Å; L547-L551 PolarHBondContact O-N 3.48Å; C548-L551 PolarHBondContact O-N 3.11Å; L551-I554 PolarHBondContact O-N 3.25Å; L551-K555 PolarHBondContact O-N 3.4Å; L551-K555 VanDerWaalsContact O-N 3.13Å; L551-L619 HydrophobicContact CD2-CB 3.77Å; L551-L619 HydrophobicContact CD2-CD1 4.33Å; L551-L619 HydrophobicContact CG-CB 4.26Å; L551-L620 HydrophobicContact CD1-CD2 3.92Å; L551-L620 HydrophobicContact CD2-CD2 3.96Å; L551-L620 HydrophobicContact CD2-CG 4.18Å; L551-L623 HydrophobicContact CD1-CD1 4.07Å; L551-L623 HydrophobicContact CD1-CD2 4.27Å
552	E	85.6	Confident	89.8	Confident	40 Å²	40	45.7 Å²	45.7	19%	0.187	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-36.3	172.8	-72.3	-62.9	158.8	0	0	112.5	K408 C548 N549 I554 K555 T556	K408-E552 IonicContact NZ-OE2 3.83Å; C548-E552 PolarHBondContact O-N 3.42Å; N549-E552 PolarHBondContact O-N 2.87Å; E552-I554 VanDerWaalsContact C-N 3.34Å; E552-I554 PolarHBondContact O-N 2.99Å; E552-K555 PolarHBondContact O-N 3.04Å; E552-K555 IonicContact OE1-NZ 2.66Å; E552-K555 PolarHBondContact OE1-NZ 3.35Å; E552-K555 IonicContact OE2-NZ 3.99Å; E552-K555 PolarHBondContact OE2-NZ 2.69Å; E552-T556 PolarHBondContact O-N 3.28Å; E552-T556 PolarHBondContact O-OG1 3.41Å
553	S	90.2	Very high	90.3	Very high	60 Å²	60	47.8 Å²	47.8	42%	0.42	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-45.7	172.1	-169.4	0	0	0	0	111.4	N549 K550 K555 T556 E557	N549-S553 PolarHBondContact O-N 3.05Å; K550-S553 WeakPolarHBondContact O-CB 3.34Å; K550-S553 PolarHBondContact O-N 3.22Å; S553-K555 VanDerWaalsContact C-N 3.32Å; S553-K555 PolarHBondContact O-N 3.35Å; S553-T556 WeakPolarHBondContact O-CA 3.44Å; S553-T556 WeakPolarHBondContact O-CB 3.24Å; S553-T556 PolarHBondContact O-N 3.11Å; S553-E557 WeakPolarHBondContact O-CG 3.39Å; S553-E557 PolarHBondContact O-N 3.15Å
554	I	93.7	Very high	90.6	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-40.2	177.2	-76.1	-178.3	0	0	0	111.9	K550 L551 E552 T556 E557 R558 K615 L619	K550-I554 PolarHBondContact O-N 2.98Å; L551-I554 PolarHBondContact O-N 3.25Å; E552-I554 VanDerWaalsContact C-N 3.34Å; E552-I554 PolarHBondContact O-N 2.99Å; I554-T556 VanDerWaalsContact C-N 3.28Å; I554-T556 PolarHBondContact O-N 3.01Å; I554-E557 PolarHBondContact O-N 3.38Å; I554-R558 VanDerWaalsContact CG2-NH2 3.28Å; I554-R558 WeakPolarHBondContact O-CG 3.4Å; I554-R558 PolarHBondContact O-N 2.96Å; I554-R558 VanDerWaalsContact O-N 3.1Å; I554-K615 HydrophobicContact CD1-CB 3.77Å; I554-L619 HydrophobicContact CD1-CD1 3.36Å; I554-L619 HydrophobicContact CG1-CD1 4.43Å
555	K	90.1	Very high	90.9	Very high	19 Å²	19	48.8 Å²	48.8	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-37.6	175	-75.1	168	56.6	-170.4	0	111.7	V380 N381 L551 E552 S553 R558 D652	V380-K555 HydrophobicContact CB-CD 4.47Å; V380-K555 HydrophobicContact CG1-CD 4.07Å; N381-K555 WeakPolarHBondContact OD1-CE 3.44Å; N381-K555 PolarHBondContact OD1-NZ 3.06Å; L551-K555 PolarHBondContact O-N 3.4Å; L551-K555 VanDerWaalsContact O-N 3.13Å; E552-K555 PolarHBondContact O-N 3.04Å; E552-K555 IonicContact OE1-NZ 2.66Å; E552-K555 PolarHBondContact OE1-NZ 3.35Å; E552-K555 IonicContact OE2-NZ 3.99Å; E552-K555 PolarHBondContact OE2-NZ 2.69Å; S553-K555 VanDerWaalsContact C-N 3.32Å; S553-K555 PolarHBondContact O-N 3.35Å; K555-R558 WeakPolarHBondContact O-CB 3.33Å; K555-R558 PolarHBondContact O-N 3.28Å; K555-D652 IonicContact NZ-OD1 3.07Å; K555-D652 IonicContact NZ-OD2 2.79Å; K555-D652 PolarHBondContact NZ-OD2 3.1Å
556	T	88.1	Confident	91.3	Very high	81 Å²	81	50.5 Å²	50.5	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-46.4	176.2	-51.3	0	0	0	0	111	E552 S553 I554 R558 N559	E552-T556 PolarHBondContact O-N 3.28Å; E552-T556 PolarHBondContact O-OG1 3.41Å; S553-T556 WeakPolarHBondContact O-CA 3.44Å; S553-T556 WeakPolarHBondContact O-CB 3.24Å; S553-T556 PolarHBondContact O-N 3.11Å; I554-T556 VanDerWaalsContact C-N 3.28Å; I554-T556 PolarHBondContact O-N 3.01Å; T556-R558 PolarHBondContact O-N 3Å; T556-N559 WeakPolarHBondContact O-CB 3.45Å; T556-N559 PolarHBondContact O-N 3.14Å
557	E	94.4	Very high	91.6	Very high	73 Å²	73	52.5 Å²	52.5	34%	0.341	27%	0.269	S	S	.	.	H	α-helix	trans	-57	-32.4	175.1	-70.1	169.8	-153.5	0	0	112.5	S553 I554 N559 D560 L561 N612	S553-E557 WeakPolarHBondContact O-CG 3.39Å; S553-E557 PolarHBondContact O-N 3.15Å; I554-E557 PolarHBondContact O-N 3.38Å; E557-N559 VanDerWaalsContact C-N 3.32Å; E557-N559 PolarHBondContact O-N 2.98Å; E557-D560 WeakPolarHBondContact O-CB 3.45Å; E557-D560 PolarHBondContact O-N 3.47Å; E557-L561 WeakPolarHBondContact O-CG 3.44Å; E557-L561 PolarHBondContact O-N 3.47Å; E557-N612 PolarHBondContact OE2-ND2 3.35Å
558	R	94.1	Very high	91.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-34.6	176.2	-71.2	175.9	-176.5	153	8.8	113.4	L373 A376 S377 I554 K555 T556 D560 L561 I562 N612	L373-R558 HydrophobicContact CD2-CG 4.04Å; A376-R558 PolarHBondContact O-NH1 3.38Å; S377-R558 WeakPolarHBondContact OG-CD 3.45Å; S377-R558 PolarHBondContact OG-NH1 3.29Å; S377-R558 VanDerWaalsContact OG-NH1 3.11Å; I554-R558 VanDerWaalsContact CG2-NH2 3.28Å; I554-R558 WeakPolarHBondContact O-CG 3.4Å; I554-R558 PolarHBondContact O-N 2.96Å; I554-R558 VanDerWaalsContact O-N 3.1Å; K555-R558 WeakPolarHBondContact O-CB 3.33Å; K555-R558 PolarHBondContact O-N 3.28Å; T556-R558 PolarHBondContact O-N 3Å; R558-D560 PolarHBondContact O-N 3.44Å; R558-L561 PolarHBondContact O-N 3.41Å; R558-I562 WeakPolarHBondContact O-CB 3.47Å; R558-I562 VanDerWaalsContact O-CG1 3.27Å; R558-I562 WeakPolarHBondContact O-CG1 3.43Å; R558-I562 PolarHBondContact O-N 3.36Å; R558-N612 WeakPolarHBondContact CG-OD1 3.36Å; R558-N612 PolarHBondContact NE-OD1 3.04Å; R558-N612 PolarHBondContact NH2-OD1 3.05Å; R558-N612 VanDerWaalsContact NH2-OD1 3.14Å
559	N	89.4	Confident	91.8	Very high	100 Å²	100	56.6 Å²	56.6	54%	0.535	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-40.1	176.8	-63.9	-25	0	0	0	109.8	T556 E557 I562 E563	T556-N559 WeakPolarHBondContact O-CB 3.45Å; T556-N559 PolarHBondContact O-N 3.14Å; E557-N559 VanDerWaalsContact C-N 3.32Å; E557-N559 PolarHBondContact O-N 2.98Å; N559-I562 PolarHBondContact O-N 2.89Å; N559-E563 PolarHBondContact O-N 3.38Å
560	D	93.2	Very high	92.1	Very high	95 Å²	95	54.6 Å²	54.6	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-39.4	175	-60	-33.6	0	0	0	112.1	E557 R558 E563 Q564	E557-D560 WeakPolarHBondContact O-CB 3.45Å; E557-D560 PolarHBondContact O-N 3.47Å; R558-D560 PolarHBondContact O-N 3.44Å; D560-E563 PolarHBondContact O-N 3.04Å; D560-Q564 WeakPolarHBondContact O-CG 3.41Å; D560-Q564 PolarHBondContact O-N 2.92Å
561	L	95.9	Very high	91.9	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-38.1	174.9	-68.8	174.3	0	0	0	112.4	L373 E557 R558 Q564 L565 L608 I609 N612	L373-L561 HydrophobicContact CD1-CB 4Å; E557-L561 WeakPolarHBondContact O-CG 3.44Å; E557-L561 PolarHBondContact O-N 3.47Å; R558-L561 PolarHBondContact O-N 3.41Å; L561-Q564 PolarHBondContact O-N 3.15Å; L561-L565 WeakPolarHBondContact O-CG 3.45Å; L561-L565 PolarHBondContact O-N 2.88Å; L561-L608 HydrophobicContact CD2-CB 3.73Å; L561-L608 HydrophobicContact CD2-CD1 4.16Å; L561-I609 HydrophobicContact CD1-CG1 4.18Å; L561-N612 HydrophobicContact CD1-CB 4.03Å
562	I	93.3	Very high	91.6	Very high	13 Å²	13	57 Å²	57	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-43.6	175.2	-73	168.1	0	0	0	110.2	I370 L373 R374 R558 N559 L565 K566	I370-I562 HydrophobicContact CD1-CG2 4.25Å; I370-I562 HydrophobicContact CG1-CG1 4.44Å; I370-I562 HydrophobicContact CG1-CG2 4.24Å; I370-I562 HydrophobicContact CG2-CD1 4.43Å; I370-I562 HydrophobicContact CG2-CG1 4.38Å; I370-I562 HydrophobicContact CG2-CG2 4.36Å; L373-I562 HydrophobicContact CB-CD1 4.34Å; L373-I562 HydrophobicContact CB-CG1 4.32Å; L373-I562 HydrophobicContact CD1-CG1 3.71Å; R374-I562 HydrophobicContact CG-CD1 4.36Å; R558-I562 WeakPolarHBondContact O-CB 3.47Å; R558-I562 VanDerWaalsContact O-CG1 3.27Å; R558-I562 WeakPolarHBondContact O-CG1 3.43Å; R558-I562 PolarHBondContact O-N 3.36Å; N559-I562 PolarHBondContact O-N 2.89Å; I562-L565 PolarHBondContact O-N 2.94Å; I562-K566 HydrophobicContact CG2-CD 4.39Å; I562-K566 WeakPolarHBondContact O-CG 3.26Å; I562-K566 PolarHBondContact O-N 3.3Å
563	E	92.9	Very high	91.8	Very high	102 Å²	102	59 Å²	59	48%	0.477	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-39	175.7	-70.9	-56.6	129.2	0	0	111.9	N559 D560 K566 L567	N559-E563 PolarHBondContact O-N 3.38Å; D560-E563 PolarHBondContact O-N 3.04Å; E563-K566 PolarHBondContact O-N 3.15Å; E563-K566 IonicContact OE1-NZ 3.72Å; E563-K566 PolarHBondContact OE1-NZ 3.39Å; E563-L567 WeakPolarHBondContact O-CG 3.4Å; E563-L567 PolarHBondContact O-N 3.16Å
564	Q	94	Very high	91.9	Very high	85 Å²	85	56.6 Å²	56.6	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-43.4	172.8	-73.3	176	60	0	0	112.5	D560 L561 K566 L567 V568	D560-Q564 WeakPolarHBondContact O-CG 3.41Å; D560-Q564 PolarHBondContact O-N 2.92Å; L561-Q564 PolarHBondContact O-N 3.15Å; Q564-K566 VanDerWaalsContact C-N 3.35Å; Q564-K566 PolarHBondContact O-N 2.96Å; Q564-L567 PolarHBondContact O-N 3.47Å; Q564-V568 PolarHBondContact O-N 3.23Å
565	L	94.3	Very high	91.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-44.3	176.1	-82.6	171.6	0	0	0	111.8	I366 E369 I370 L373 L561 I562 L567 V568 M602 V605 I609	I366-L565 WeakPolarHBondContact CD1-O 3.02Å; I366-L565 HydrophobicContact CG2-CB 4.32Å; E369-L565 HydrophobicContact CB-CD1 3.68Å; E369-L565 HydrophobicContact CB-CD2 4.08Å; E369-L565 HydrophobicContact CG-CD2 4.45Å; I370-L565 HydrophobicContact CG1-CB 4.44Å; I370-L565 HydrophobicContact CG1-CD1 3.93Å; L373-L565 HydrophobicContact CD1-CD1 3.91Å; L561-L565 WeakPolarHBondContact O-CG 3.45Å; L561-L565 PolarHBondContact O-N 2.88Å; I562-L565 PolarHBondContact O-N 2.94Å; L565-L567 PolarHBondContact O-N 3.29Å; L565-V568 WeakPolarHBondContact O-CB 3.35Å; L565-V568 PolarHBondContact O-N 3Å; L565-V568 VanDerWaalsContact O-N 3.12Å; L565-M602 HydrophobicContact CD2-CE 4.33Å; L565-V605 HydrophobicContact CD2-CB 4.48Å; L565-V605 HydrophobicContact CD2-CG1 3.64Å; L565-V605 HydrophobicContact CG-CG1 3.75Å; L565-I609 HydrophobicContact CD1-CD1 3.8Å; L565-I609 HydrophobicContact CD2-CD1 4.09Å; L565-I609 HydrophobicContact CG-CD1 4.15Å
566	K	92	Very high	91.7	Very high	76 Å²	76	64.4 Å²	64.4	33%	0.33	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-28.6	179.5	-71.8	172.2	-173.8	169	0	112.9	R362 I370 I562 E563 Q564	R362-K566 PolarHBondContact NH2-O 3Å; I370-K566 HydrophobicContact CD1-CG 4.1Å; I562-K566 HydrophobicContact CG2-CD 4.39Å; I562-K566 WeakPolarHBondContact O-CG 3.26Å; I562-K566 PolarHBondContact O-N 3.3Å; E563-K566 PolarHBondContact O-N 3.15Å; E563-K566 IonicContact OE1-NZ 3.72Å; E563-K566 PolarHBondContact OE1-NZ 3.39Å; Q564-K566 VanDerWaalsContact C-N 3.35Å; Q564-K566 PolarHBondContact O-N 2.96Å
567	L	92.8	Very high	91.8	Very high	144 Å²	144	65.5 Å²	65.5	75%	0.754	34%	0.336	S	S	*	.	H	α-helix	trans	-82.8	-12.7	179.2	-66.2	173.3	0	0	0	114	E563 Q564 L565 D569	E563-L567 WeakPolarHBondContact O-CG 3.4Å; E563-L567 PolarHBondContact O-N 3.16Å; Q564-L567 PolarHBondContact O-N 3.47Å; L565-L567 PolarHBondContact O-N 3.29Å; L567-D569 PolarHBondContact O-N 2.59Å
568	V	92.9	Very high	91.8	Very high	15 Å²	15	62 Å²	62	9%	0.091	32%	0.32	C	S	.	.			trans	-68.4	118.3	177.6	177.6	0	0	0	0	109.1	R362 I366 Q564 L565 L598 K601 M602 V605	R362-V568 PolarHBondContact NE-O 3.45Å; R362-V568 PolarHBondContact NH2-O 3.49Å; I366-V568 HydrophobicContact CD1-CB 4.41Å; I366-V568 WeakPolarHBondContact CD1-O 3.2Å; Q564-V568 PolarHBondContact O-N 3.23Å; L565-V568 WeakPolarHBondContact O-CB 3.35Å; L565-V568 PolarHBondContact O-N 3Å; L565-V568 VanDerWaalsContact O-N 3.12Å; V568-L598 HydrophobicContact CG1-CD1 3.92Å; V568-K601 HydrophobicContact CG1-CB 4.01Å; V568-M602 HydrophobicContact CG1-CG 3.95Å; V568-V605 HydrophobicContact CG2-CG2 4.34Å
569	D	92.1	Very high	91.5	Very high	91 Å²	91	63.6 Å²	63.6	49%	0.487	33%	0.328	S	S	.	.			trans	-137.4	168.9	174.9	-157.3	1	0	0	0	111.1	R362 L567	R362-D569 VanDerWaalsContact CD-OD1 3.25Å; R362-D569 WeakPolarHBondContact CD-OD1 3.49Å; R362-D569 IonicContact CZ-OD1 3.08Å; R362-D569 IonicContact NE-OD1 2.72Å; R362-D569 PolarHBondContact NE-OD1 3.18Å; L567-D569 PolarHBondContact O-N 2.59Å
570	Y	90.7	Very high	91.4	Very high	27 Å²	27	61.7 Å²	61.7	11%	0.106	32%	0.32	C	S	.	.			trans	-61.1	145.3	177.2	-71.1	-71.8	0	0	0	112	A358 R362 L574 A594 L598	A358-Y570 HydrophobicContact CB-CE1 4.46Å; A358-Y570 HydrophobicContact CB-CE2 3.95Å; A358-Y570 WeakPolarHBondContact O-CE2 3.39Å; A358-Y570 PolarHBondContact O-OH 3.03Å; R362-Y570 HydrophobicContact CB-CE2 3.69Å; R362-Y570 HydrophobicContact CG-CE2 4.41Å; Y570-L574 HydrophobicContact CD1-CD1 4.41Å; Y570-L574 HydrophobicContact CD1-CD2 3.77Å; Y570-L574 HydrophobicContact CD2-CD2 4.03Å; Y570-L574 HydrophobicContact CE1-CD2 4.27Å; Y570-L574 HydrophobicContact CG-CD2 3.64Å; Y570-A594 HydrophobicContact CE1-CB 4.12Å; Y570-A594 WeakPolarHBondContact CE1-O 3.4Å; Y570-L598 HydrophobicContact CD1-CB 4.36Å; Y570-L598 HydrophobicContact CE1-CB 3.71Å; Y570-L598 HydrophobicContact CE1-CG 4.47Å
571	S	87.9	Confident	91.3	Very high	33 Å²	33	59.9 Å²	59.9	23%	0.231	31%	0.306	C	S	.	.			trans	-57.8	142.6	167.8	174.1	0	0	0	0	110.1	D573 L574	S571-D573 PolarHBondContact O-N 2.76Å; S571-D573 PolarHBondContact OG-N 2.88Å; S571-L574 WeakPolarHBondContact O-CB 3.43Å; S571-L574 PolarHBondContact O-N 2.82Å
572	P	85.8	Confident	90.9	Very high	124 Å²	124	60.7 Å²	60.7	81%	0.805	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-19.7	173.8	22.6	-34.2	0	0	0	113.4	L574	P572-L574 VanDerWaalsContact C-N 3.32Å; P572-L574 PolarHBondContact O-N 3.5Å
573	D	90.1	Very high	90.5	Very high	82 Å²	82	67.6 Å²	67.6	44%	0.439	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-4.2	177.5	-67.8	-42.4	0	0	0	115.1	S571 V575 K576 K577	S571-D573 PolarHBondContact O-N 2.76Å; S571-D573 PolarHBondContact OG-N 2.88Å; D573-V575 PolarHBondContact O-N 2.9Å; D573-K576 WeakPolarHBondContact O-CB 3.28Å; D573-K576 PolarHBondContact O-N 3.05Å; D573-K576 VanDerWaalsContact O-N 3.13Å; D573-K577 PolarHBondContact O-N 3.39Å
574	L	91.5	Very high	90.2	Very high	8 Å²	8	69.3 Å²	69.3	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-53.4	-52.4	-178	174	65.9	0	0	0	111.6	A358 Y570 S571 P572 K576 K577 L578 A594 M597	A358-L574 HydrophobicContact CB-CD2 4.39Å; Y570-L574 HydrophobicContact CD1-CD1 4.41Å; Y570-L574 HydrophobicContact CD1-CD2 3.77Å; Y570-L574 HydrophobicContact CD2-CD2 4.03Å; Y570-L574 HydrophobicContact CE1-CD2 4.27Å; Y570-L574 HydrophobicContact CG-CD2 3.64Å; S571-L574 WeakPolarHBondContact O-CB 3.43Å; S571-L574 PolarHBondContact O-N 2.82Å; P572-L574 VanDerWaalsContact C-N 3.32Å; P572-L574 PolarHBondContact O-N 3.5Å; L574-K576 PolarHBondContact O-N 3.4Å; L574-K577 PolarHBondContact O-N 3.09Å; L574-L578 HydrophobicContact CD1-CD1 3.87Å; L574-L578 HydrophobicContact CD1-CG 4.05Å; L574-L578 HydrophobicContact CG-CD1 3.91Å; L574-L578 HydrophobicContact CG-CG 4.43Å; L574-L578 WeakPolarHBondContact O-CG 3.25Å; L574-L578 PolarHBondContact O-N 2.94Å; L574-A594 HydrophobicContact CD1-CB 3.82Å; L574-M597 HydrophobicContact CB-CE 4.49Å; L574-M597 HydrophobicContact CD1-SD 4.11Å
575	V	90.9	Very high	89.8	Confident	53 Å²	53	69 Å²	69	32%	0.321	34%	0.34	S	S	.	.	H	α-helix	trans	-59.6	-40.5	-178.3	-176.1	0	0	0	0	110.4	L347 V355 D573 L579	L347-V575 HydrophobicContact CD1-CG1 3.5Å; L347-V575 VanDerWaalsContact CD1-CG1 3.5Å; L347-V575 HydrophobicContact CD2-CG1 4Å; L347-V575 HydrophobicContact CG-CG1 4.44Å; V355-V575 HydrophobicContact CG2-CG2 4.05Å; D573-V575 PolarHBondContact O-N 2.9Å; V575-L579 HydrophobicContact CG1-CD1 4.12Å; V575-L579 VanDerWaalsContact O-CB 3.28Å; V575-L579 WeakPolarHBondContact O-CB 3.48Å; V575-L579 WeakPolarHBondContact O-CG 3.43Å; V575-L579 PolarHBondContact O-N 3.05Å
576	K	89.6	Confident	89.1	Confident	138 Å²	138	76.2 Å²	76.2	60%	0.6	38%	0.378	S	S	*	.	H	α-helix	trans	-65	-45.1	179.3	-173.5	180	177.4	-176.4	0	111.6	D573 L574 L579 T580	D573-K576 WeakPolarHBondContact O-CB 3.28Å; D573-K576 PolarHBondContact O-N 3.05Å; D573-K576 VanDerWaalsContact O-N 3.13Å; L574-K576 PolarHBondContact O-N 3.4Å; K576-L579 PolarHBondContact O-N 3.12Å; K576-T580 PolarHBondContact O-N 3.08Å; K576-T580 PolarHBondContact O-OG1 3.42Å; K576-T580 VanDerWaalsContact O-OG1 3.05Å
577	K	90.9	Very high	88.6	Confident	103 Å²	103	77 Å²	77	45%	0.448	38%	0.383	S	S	.	.	H	α-helix	trans	-64.3	-44.9	176.8	-81.5	179.4	173	-174.1	0	112.1	D573 L574 L579 T580 Y581 I593 M597	D573-K577 PolarHBondContact O-N 3.39Å; L574-K577 PolarHBondContact O-N 3.09Å; K577-L579 VanDerWaalsContact C-N 3.32Å; K577-L579 PolarHBondContact O-N 2.83Å; K577-T580 PolarHBondContact O-N 2.88Å; K577-Y581 PolarHBondContact O-N 3.25Å; K577-I593 HydrophobicContact CB-CG2 4.3Å; K577-M597 HydrophobicContact CD-CE 4.05Å; K577-M597 HydrophobicContact CD-SD 3.44Å; K577-M597 WeakPolarHBondContact CD-SD 3.42Å
578	L	92.7	Very high	88.2	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-62.2	-40.3	176.6	-67.9	174.6	0	0	0	111.6	V351 A354 V355 L574 Y581 Y582 I589 I593	V351-L578 HydrophobicContact CG1-CB 3.85Å; A354-L578 HydrophobicContact CB-CD1 4.31Å; V355-L578 HydrophobicContact CG2-CD1 3.86Å; L574-L578 HydrophobicContact CD1-CD1 3.87Å; L574-L578 HydrophobicContact CD1-CG 4.05Å; L574-L578 HydrophobicContact CG-CD1 3.91Å; L574-L578 HydrophobicContact CG-CG 4.43Å; L574-L578 WeakPolarHBondContact O-CG 3.25Å; L574-L578 PolarHBondContact O-N 2.94Å; L578-Y581 PolarHBondContact O-N 3.27Å; L578-Y582 VanDerWaalsContact O-CB 3.25Å; L578-Y582 WeakPolarHBondContact O-CB 3.16Å; L578-Y582 PolarHBondContact O-N 3.39Å; L578-I589 HydrophobicContact CD2-CG2 4.01Å; L578-I593 HydrophobicContact CD2-CB 4.32Å; L578-I593 HydrophobicContact CD2-CG2 4.49Å
579	L	88.2	Confident	88	Confident	33 Å²	33	75.1 Å²	75.1	17%	0.173	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-44.5	174	-87.8	171.9	0	0	0	113	L347 P348 V351 V575 K576 K577 Y582 R583	L347-L579 HydrophobicContact CD1-CD1 3.59Å; L347-L579 HydrophobicContact CD1-CD2 3.76Å; L347-L579 HydrophobicContact CD1-CG 3.66Å; P348-L579 HydrophobicContact CG-CD2 4.11Å; V351-L579 HydrophobicContact CG1-CG 4.3Å; V351-L579 HydrophobicContact CG2-CD2 4.23Å; V575-L579 HydrophobicContact CG1-CD1 4.12Å; V575-L579 VanDerWaalsContact O-CB 3.28Å; V575-L579 WeakPolarHBondContact O-CB 3.48Å; V575-L579 WeakPolarHBondContact O-CG 3.43Å; V575-L579 PolarHBondContact O-N 3.05Å; K576-L579 PolarHBondContact O-N 3.12Å; K577-L579 VanDerWaalsContact C-N 3.32Å; K577-L579 PolarHBondContact O-N 2.83Å; L579-Y582 PolarHBondContact O-N 2.87Å; L579-R583 WeakPolarHBondContact O-CG 3.38Å; L579-R583 PolarHBondContact O-N 2.93Å
580	T	87.7	Confident	87.9	Confident	59 Å²	59	73.7 Å²	73.7	36%	0.362	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-47.6	177.1	-60.4	0	0	0	0	110.4	K576 K577 Y582 R583 E584	K576-T580 PolarHBondContact O-N 3.08Å; K576-T580 PolarHBondContact O-OG1 3.42Å; K576-T580 VanDerWaalsContact O-OG1 3.05Å; K577-T580 PolarHBondContact O-N 2.88Å; T580-Y582 VanDerWaalsContact C-N 3.35Å; T580-Y582 PolarHBondContact O-N 3.33Å; T580-R583 PolarHBondContact O-N 3.44Å; T580-E584 WeakPolarHBondContact CG2-OE1 3.44Å; T580-E584 WeakPolarHBondContact O-CG 3.43Å; T580-E584 PolarHBondContact O-N 3.3Å
581	Y	90.7	Very high	87.8	Confident	58 Å²	58	75.5 Å²	75.5	23%	0.227	38%	0.38	C	S	.	.	H	α-helix	trans	-59.3	-46.4	177.6	-170.2	-86	0	0	0	111.8	K577 L578 R583 E584 H585 D590 I593	K577-Y581 PolarHBondContact O-N 3.25Å; L578-Y581 PolarHBondContact O-N 3.27Å; Y581-R583 VanDerWaalsContact C-N 3.28Å; Y581-R583 PolarHBondContact O-N 2.9Å; Y581-E584 PolarHBondContact O-N 3.5Å; Y581-E584 VanDerWaalsContact O-N 3.14Å; Y581-H585 HydrophobicContact CD1-CB 4.25Å; Y581-H585 AromaticContact CD1-ND1 3.99Å; Y581-H585 AromaticContact CD2-CE1 3.68Å; Y581-H585 AromaticContact CD2-ND1 3.63Å; Y581-H585 HydrophobicContact CE1-CB 3.86Å; Y581-H585 AromaticContact CE1-CG 3.77Å; Y581-H585 AromaticContact CE1-ND1 3.95Å; Y581-H585 AromaticContact CE2-CE1 3.49Å; Y581-H585 VanDerWaalsContact CE2-CE1 3.49Å; Y581-H585 WeakPolarHBondContact CE2-CE1 3.35Å; Y581-H585 AromaticContact CE2-CG 3.98Å; Y581-H585 AromaticContact CE2-ND1 3.62Å; Y581-H585 AromaticContact CE2-NE2 3.76Å; Y581-H585 AromaticContact CG-ND1 3.84Å; Y581-H585 AromaticContact CZ-CD2 3.77Å; Y581-H585 AromaticContact CZ-CE1 3.97Å; Y581-H585 AromaticContact CZ-CG 3.67Å; Y581-H585 AromaticContact CZ-ND1 3.78Å; Y581-H585 AromaticContact CZ-NE2 3.98Å; Y581-H585 WeakPolarHBondContact O-CB 3.41Å; Y581-H585 PolarHBondContact O-N 3.47Å; Y581-H585 PolarHBondContact O-ND1 2.72Å; Y581-H585 VanDerWaalsContact O-ND1 3.11Å; Y581-D590 HydrophobicContact CD1-CB 4.26Å; Y581-D590 HydrophobicContact CE1-CB 3.69Å; Y581-D590 HydrophobicContact CE2-CB 4.13Å; Y581-I593 HydrophobicContact CD1-CD1 4.44Å; Y581-I593 HydrophobicContact CD2-CD1 3.53Å; Y581-I593 HydrophobicContact CE2-CD1 4.16Å; Y581-I593 HydrophobicContact CG-CD1 3.67Å
582	Y	88.3	Confident	88	Confident	29 Å²	29	78.2 Å²	78.2	11%	0.114	39%	0.389	C	S	.	.	H	α-helix	trans	-55.8	-40.8	177.2	177	-92.3	0	0	0	112.7	P348 A350 V351 L578 L579 T580 E587 T588 I589	P348-Y582 HydrophobicContact CB-CE1 3.99Å; P348-Y582 HydrophobicContact CB-CE2 4.44Å; P348-Y582 HydrophobicContact CG-CD1 4.21Å; P348-Y582 HydrophobicContact CG-CE1 3.81Å; A350-Y582 HydrophobicContact CB-CD2 4.35Å; A350-Y582 HydrophobicContact CB-CE2 3.89Å; V351-Y582 HydrophobicContact CG2-CD2 4.05Å; V351-Y582 HydrophobicContact CG2-CG 3.92Å; L578-Y582 VanDerWaalsContact O-CB 3.25Å; L578-Y582 WeakPolarHBondContact O-CB 3.16Å; L578-Y582 PolarHBondContact O-N 3.39Å; L579-Y582 PolarHBondContact O-N 2.87Å; T580-Y582 VanDerWaalsContact C-N 3.35Å; T580-Y582 PolarHBondContact O-N 3.33Å; Y582-E587 VanDerWaalsContact CD2-C 3.48Å; Y582-E587 HydrophobicContact CD2-CB 4.24Å; Y582-E587 WeakPolarHBondContact CD2-O 3.38Å; Y582-E587 HydrophobicContact CE1-CB 4.19Å; Y582-E587 HydrophobicContact CE1-CG 3.96Å; Y582-E587 VanDerWaalsContact CE2-C 3.43Å; Y582-E587 HydrophobicContact CE2-CB 3.48Å; Y582-E587 VanDerWaalsContact CE2-CB 3.48Å; Y582-E587 HydrophobicContact CE2-CG 4.16Å; Y582-E587 WeakPolarHBondContact CE2-O 2.84Å; Y582-E587 VanDerWaalsContact CZ-CB 3.44Å; Y582-E587 WeakPolarHBondContact O-CA 3.5Å; Y582-E587 PolarHBondContact O-N 3.26Å; Y582-E587 WeakPolarHBondContact OH-CB 3.42Å; Y582-E587 WeakPolarHBondContact OH-CG 3.48Å; Y582-E587 PolarHBondContact OH-OE2 2.96Å; Y582-T588 WeakPolarHBondContact CA-O 3.46Å; Y582-I589 HydrophobicContact CD2-CD1 4.14Å; Y582-I589 HydrophobicContact CD2-CG1 3.85Å
583	R	84.7	Confident	88.2	Confident	159 Å²	159	73.9 Å²	73.9	60%	0.6	36%	0.358	S	S	*	.	H	α-helix	trans	-71.5	-35.8	178.1	-71.2	171.1	179.8	168.4	-1.7	112.8	L579 T580 Y581	L579-R583 WeakPolarHBondContact O-CG 3.38Å; L579-R583 PolarHBondContact O-N 2.93Å; T580-R583 PolarHBondContact O-N 3.44Å; Y581-R583 VanDerWaalsContact C-N 3.28Å; Y581-R583 PolarHBondContact O-N 2.9Å
584	E	86.1	Confident	88.3	Confident	137 Å²	137	70 Å²	70	64%	0.64	34%	0.338	S	S	*	.	H	α-helix	trans	-80.5	-26.6	-177.3	-71.1	175.1	177.2	0	0	113.1	T580 Y581	T580-E584 WeakPolarHBondContact CG2-OE1 3.44Å; T580-E584 WeakPolarHBondContact O-CG 3.43Å; T580-E584 PolarHBondContact O-N 3.3Å; Y581-E584 PolarHBondContact O-N 3.5Å; Y581-E584 VanDerWaalsContact O-N 3.14Å
585	H	85.2	Confident	88.2	Confident	78 Å²	78	71 Å²	71	36%	0.361	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	44.6	-171	-61.4	75.8	0	0	0	112.9	Y581 E587 T588	Y581-H585 HydrophobicContact CD1-CB 4.25Å; Y581-H585 AromaticContact CD1-ND1 3.99Å; Y581-H585 AromaticContact CD2-CE1 3.68Å; Y581-H585 AromaticContact CD2-ND1 3.63Å; Y581-H585 HydrophobicContact CE1-CB 3.86Å; Y581-H585 AromaticContact CE1-CG 3.77Å; Y581-H585 AromaticContact CE1-ND1 3.95Å; Y581-H585 AromaticContact CE2-CE1 3.49Å; Y581-H585 VanDerWaalsContact CE2-CE1 3.49Å; Y581-H585 WeakPolarHBondContact CE2-CE1 3.35Å; Y581-H585 AromaticContact CE2-CG 3.98Å; Y581-H585 AromaticContact CE2-ND1 3.62Å; Y581-H585 AromaticContact CE2-NE2 3.76Å; Y581-H585 AromaticContact CG-ND1 3.84Å; Y581-H585 AromaticContact CZ-CD2 3.77Å; Y581-H585 AromaticContact CZ-CE1 3.97Å; Y581-H585 AromaticContact CZ-CG 3.67Å; Y581-H585 AromaticContact CZ-ND1 3.78Å; Y581-H585 AromaticContact CZ-NE2 3.98Å; Y581-H585 WeakPolarHBondContact O-CB 3.41Å; Y581-H585 PolarHBondContact O-N 3.47Å; Y581-H585 PolarHBondContact O-ND1 2.72Å; Y581-H585 VanDerWaalsContact O-ND1 3.11Å; H585-E587 PolarHBondContact O-N 3.47Å; H585-T588 WeakPolarHBondContact CB-OG1 3.35Å; H585-T588 WeakPolarHBondContact O-CB 3.42Å; H585-T588 WeakPolarHBondContact O-CG2 3.05Å; H585-T588 PolarHBondContact O-N 3.35Å; H585-T588 VanDerWaalsContact O-N 3.08Å; H585-T588 PolarHBondContact O-OG1 2.96Å
586	N	80.7	Confident	88.3	Confident	152 Å²	152	72.4 Å²	72.4	81%	0.813	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	52.3	174.9	-67.8	-23.4	0	0	0	113.6	T588	N586-T588 PolarHBondContact O-N 3.29Å
587	E	81.3	Confident	88.4	Confident	93 Å²	93	66.6 Å²	66.6	44%	0.435	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	18.5	176.2	-53.9	-179.7	-166.6	0	0	114.8	Y72 Y582 H585	Y72-E587 PolarHBondContact OH-OE1 3.27Å; Y72-E587 VanDerWaalsContact OH-OE1 3.08Å; Y582-E587 VanDerWaalsContact CD2-C 3.48Å; Y582-E587 HydrophobicContact CD2-CB 4.24Å; Y582-E587 WeakPolarHBondContact CD2-O 3.38Å; Y582-E587 HydrophobicContact CE1-CB 4.19Å; Y582-E587 HydrophobicContact CE1-CG 3.96Å; Y582-E587 VanDerWaalsContact CE2-C 3.43Å; Y582-E587 HydrophobicContact CE2-CB 3.48Å; Y582-E587 VanDerWaalsContact CE2-CB 3.48Å; Y582-E587 HydrophobicContact CE2-CG 4.16Å; Y582-E587 WeakPolarHBondContact CE2-O 2.84Å; Y582-E587 VanDerWaalsContact CZ-CB 3.44Å; Y582-E587 WeakPolarHBondContact O-CA 3.5Å; Y582-E587 PolarHBondContact O-N 3.26Å; Y582-E587 WeakPolarHBondContact OH-CB 3.42Å; Y582-E587 WeakPolarHBondContact OH-CG 3.48Å; Y582-E587 PolarHBondContact OH-OE2 2.96Å; H585-E587 PolarHBondContact O-N 3.47Å
588	T	84.7	Confident	88.4	Confident	75 Å²	75	61.7 Å²	61.7	46%	0.46	30%	0.304	S	S	.	.			trans	-93.5	157.1	172.3	65.4	0	0	0	0	111.8	Y582 H585 N586	Y582-T588 WeakPolarHBondContact CA-O 3.46Å; H585-T588 WeakPolarHBondContact CB-OG1 3.35Å; H585-T588 WeakPolarHBondContact O-CB 3.42Å; H585-T588 WeakPolarHBondContact O-CG2 3.05Å; H585-T588 PolarHBondContact O-N 3.35Å; H585-T588 VanDerWaalsContact O-N 3.08Å; H585-T588 PolarHBondContact O-OG1 2.96Å; N586-T588 PolarHBondContact O-N 3.29Å
589	I	87.6	Confident	88.4	Confident	44 Å²	44	65.5 Å²	65.5	23%	0.226	32%	0.322	C	S	.	.			trans	-128.6	132.9	-179.7	-60.1	-178.9	0	0	0	110	A350 V351 A354 L578 Y582	A350-I589 HydrophobicContact CB-CD1 3.51Å; A350-I589 HydrophobicContact CB-CG1 4.32Å; A350-I589 WeakPolarHBondContact O-CD1 3.38Å; V351-I589 VanDerWaalsContact CA-CD1 3.48Å; V351-I589 HydrophobicContact CB-CD1 4.18Å; V351-I589 HydrophobicContact CG2-CD1 3.67Å; V351-I589 HydrophobicContact CG2-CG1 4.48Å; V351-I589 VanDerWaalsContact N-CD1 3.28Å; A354-I589 HydrophobicContact CB-CD1 3.93Å; A354-I589 HydrophobicContact CB-CG2 3.71Å; L578-I589 HydrophobicContact CD2-CG2 4.01Å; Y582-I589 HydrophobicContact CD2-CD1 4.14Å; Y582-I589 HydrophobicContact CD2-CG1 3.85Å
590	D	89.8	Confident	88.5	Confident	61 Å²	61	70.7 Å²	70.7	33%	0.326	35%	0.345	S	S	.	.			trans	-98.7	108.9	168.2	-173.9	3.9	0	0	0	110.5	Y581 Q592 I593	Y581-D590 HydrophobicContact CD1-CB 4.26Å; Y581-D590 HydrophobicContact CE1-CB 3.69Å; Y581-D590 HydrophobicContact CE2-CB 4.13Å; D590-Q592 PolarHBondContact O-N 3.31Å; D590-Q592 WeakPolarHBondContact OD1-CB 3.32Å; D590-Q592 PolarHBondContact OD1-N 3Å; D590-I593 HydrophobicContact CB-CD1 4.1Å; D590-I593 HydrophobicContact CB-CG1 4.2Å; D590-I593 PolarHBondContact O-N 3.19Å
591	L	90	Very high	88.7	Confident	66 Å²	66	73 Å²	73	35%	0.346	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.1	176	-96.5	132.6	0	0	0	112.7	T357 I593 A594 T595	T357-L591 HydrophobicContact CG2-CD1 4.46Å; T357-L591 HydrophobicContact CG2-CD2 3.61Å; L591-I593 PolarHBondContact O-N 3.48Å; L591-A594 WeakPolarHBondContact O-CB 3.49Å; L591-A594 PolarHBondContact O-N 3.47Å; L591-T595 PolarHBondContact O-N 2.82Å; L591-T595 PolarHBondContact O-OG1 3.31Å
592	Q	91.3	Very high	88.8	Confident	90 Å²	90	70.3 Å²	70.3	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-31.5	176.6	-167.3	59	42.3	0	0	111.3	D590 A594 T595 D596	D590-Q592 PolarHBondContact O-N 3.31Å; D590-Q592 WeakPolarHBondContact OD1-CB 3.32Å; D590-Q592 PolarHBondContact OD1-N 3Å; Q592-A594 PolarHBondContact O-N 3.34Å; Q592-T595 PolarHBondContact O-N 3.32Å; Q592-T595 VanDerWaalsContact O-N 3.09Å; Q592-D596 PolarHBondContact NE2-OD1 3.34Å; Q592-D596 VanDerWaalsContact O-CG 3.25Å; Q592-D596 PolarHBondContact O-N 2.93Å
593	I	90.7	Very high	89.1	Confident	33 Å²	33	72.4 Å²	72.4	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-55.4	-42.3	174.3	-60.6	173.2	0	0	0	111.1	K577 L578 Y581 D590 L591 M597	K577-I593 HydrophobicContact CB-CG2 4.3Å; L578-I593 HydrophobicContact CD2-CB 4.32Å; L578-I593 HydrophobicContact CD2-CG2 4.49Å; Y581-I593 HydrophobicContact CD1-CD1 4.44Å; Y581-I593 HydrophobicContact CD2-CD1 3.53Å; Y581-I593 HydrophobicContact CE2-CD1 4.16Å; Y581-I593 HydrophobicContact CG-CD1 3.67Å; D590-I593 HydrophobicContact CB-CD1 4.1Å; D590-I593 HydrophobicContact CB-CG1 4.2Å; D590-I593 PolarHBondContact O-N 3.19Å; L591-I593 PolarHBondContact O-N 3.48Å; I593-M597 HydrophobicContact CG2-SD 4.22Å; I593-M597 WeakPolarHBondContact O-CB 3.15Å; I593-M597 WeakPolarHBondContact O-CG 3.39Å; I593-M597 PolarHBondContact O-N 2.55Å
594	A	92	Very high	89.4	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-68.3	-47	177.5	0	0	0	0	0	110.5	A358 Y570 L574 L591 Q592 D596 M597 L598	A358-A594 HydrophobicContact CB-CB 3.7Å; Y570-A594 HydrophobicContact CE1-CB 4.12Å; Y570-A594 WeakPolarHBondContact CE1-O 3.4Å; L574-A594 HydrophobicContact CD1-CB 3.82Å; L591-A594 WeakPolarHBondContact O-CB 3.49Å; L591-A594 PolarHBondContact O-N 3.47Å; Q592-A594 PolarHBondContact O-N 3.34Å; A594-D596 PolarHBondContact O-N 3.36Å; A594-M597 PolarHBondContact O-N 3.1Å; A594-L598 PolarHBondContact O-N 3.43Å
595	T	89.8	Confident	89.7	Confident	29 Å²	29	62.1 Å²	62.1	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-56.7	-50.4	178.6	-53.8	0	0	0	0	111.7	L591 Q592 M597 L598 E599	L591-T595 PolarHBondContact O-N 2.82Å; L591-T595 PolarHBondContact O-OG1 3.31Å; Q592-T595 PolarHBondContact O-N 3.32Å; Q592-T595 VanDerWaalsContact O-N 3.09Å; T595-M597 VanDerWaalsContact C-N 3.33Å; T595-M597 PolarHBondContact O-N 2.75Å; T595-L598 PolarHBondContact O-N 2.97Å; T595-L598 VanDerWaalsContact O-N 3.11Å; T595-E599 HydrophobicContact CG2-CG 4.36Å; T595-E599 WeakPolarHBondContact O-CG 3.44Å; T595-E599 PolarHBondContact O-N 3.02Å
596	D	91.4	Very high	90.2	Very high	82 Å²	82	61.7 Å²	61.7	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-42.8	-179.4	-65.4	-13	0	0	0	111.7	Q592 A594 L598 E599 E600	Q592-D596 PolarHBondContact NE2-OD1 3.34Å; Q592-D596 VanDerWaalsContact O-CG 3.25Å; Q592-D596 PolarHBondContact O-N 2.93Å; A594-D596 PolarHBondContact O-N 3.36Å; D596-L598 VanDerWaalsContact C-N 3.3Å; D596-L598 PolarHBondContact O-N 3.18Å; D596-E599 PolarHBondContact O-N 3.37Å; D596-E600 WeakPolarHBondContact O-CB 3.49Å; D596-E600 PolarHBondContact O-N 3.47Å
597	M	92.1	Very high	90.9	Very high	16 Å²	16	60.7 Å²	60.7	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-34.6	177.3	-75.1	-177.8	68.4	0	0	112.9	L574 K577 I593 A594 T595	L574-M597 HydrophobicContact CB-CE 4.49Å; L574-M597 HydrophobicContact CD1-SD 4.11Å; K577-M597 HydrophobicContact CD-CE 4.05Å; K577-M597 HydrophobicContact CD-SD 3.44Å; K577-M597 WeakPolarHBondContact CD-SD 3.42Å; I593-M597 HydrophobicContact CG2-SD 4.22Å; I593-M597 WeakPolarHBondContact O-CB 3.15Å; I593-M597 WeakPolarHBondContact O-CG 3.39Å; I593-M597 PolarHBondContact O-N 2.55Å; A594-M597 PolarHBondContact O-N 3.1Å; T595-M597 VanDerWaalsContact C-N 3.33Å; T595-M597 PolarHBondContact O-N 2.75Å
598	L	92.3	Very high	91.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-73.8	-43.9	175.3	-178.3	65.4	0	0	0	110.9	R362 L365 V568 Y570 A594 T595 D596 E600 K601 M602	R362-L598 HydrophobicContact CB-CD2 3.86Å; R362-L598 HydrophobicContact CG-CD1 4.17Å; R362-L598 HydrophobicContact CG-CD2 4.24Å; L365-L598 HydrophobicContact CD1-CD2 3.74Å; V568-L598 HydrophobicContact CG1-CD1 3.92Å; Y570-L598 HydrophobicContact CD1-CB 4.36Å; Y570-L598 HydrophobicContact CE1-CB 3.71Å; Y570-L598 HydrophobicContact CE1-CG 4.47Å; A594-L598 PolarHBondContact O-N 3.43Å; T595-L598 PolarHBondContact O-N 2.97Å; T595-L598 VanDerWaalsContact O-N 3.11Å; D596-L598 VanDerWaalsContact C-N 3.3Å; D596-L598 PolarHBondContact O-N 3.18Å; L598-E600 VanDerWaalsContact C-N 3.31Å; L598-E600 PolarHBondContact O-N 3.06Å; L598-K601 WeakPolarHBondContact O-CB 3.43Å; L598-K601 PolarHBondContact O-N 3.15Å; L598-M602 HydrophobicContact CD1-CG 4.4Å; L598-M602 HydrophobicContact CD1-SD 4.43Å; L598-M602 HydrophobicContact CD2-SD 4.29Å; L598-M602 HydrophobicContact CG-CG 4.31Å; L598-M602 HydrophobicContact CG-SD 3.98Å; L598-M602 WeakPolarHBondContact O-CG 3.29Å; L598-M602 PolarHBondContact O-N 2.9Å
599	E	90.8	Very high	92.2	Very high	81 Å²	81	56.3 Å²	56.3	38%	0.379	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-42.4	178.6	-76	-170.5	167.6	0	0	111.7	T595 D596 K601 M602 V603	T595-E599 HydrophobicContact CG2-CG 4.36Å; T595-E599 WeakPolarHBondContact O-CG 3.44Å; T595-E599 PolarHBondContact O-N 3.02Å; D596-E599 PolarHBondContact O-N 3.37Å; E599-K601 PolarHBondContact O-N 3.47Å; E599-M602 PolarHBondContact O-N 2.83Å; E599-V603 WeakPolarHBondContact O-CG2 3.21Å; E599-V603 PolarHBondContact O-N 2.98Å
600	E	92.3	Very high	92.6	Very high	141 Å²	141	58.3 Å²	58.3	66%	0.659	29%	0.293	S	S	*	.	H	α-helix	trans	-53.9	-41.3	174.2	-169	-169.1	156	0	0	111.9	D596 L598	D596-E600 WeakPolarHBondContact O-CB 3.49Å; D596-E600 PolarHBondContact O-N 3.47Å; L598-E600 VanDerWaalsContact C-N 3.31Å; L598-E600 PolarHBondContact O-N 3.06Å
601	K	90.6	Very high	92.9	Very high	109 Å²	109	60 Å²	60	47%	0.474	30%	0.299	S	S	.	.	H	α-helix	trans	-73.9	-31.8	176.8	-67.1	-64.8	-174.7	-175	0	113	V568 L598 E599	V568-K601 HydrophobicContact CG1-CB 4.01Å; L598-K601 WeakPolarHBondContact O-CB 3.43Å; L598-K601 PolarHBondContact O-N 3.15Å; E599-K601 PolarHBondContact O-N 3.47Å
602	M	92.8	Very high	93.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-79.7	-17.8	-178.6	-69.8	-173.8	78	0	0	113.9	L365 E369 L565 V568 L598 E599 S604 V605 R606	L365-M602 HydrophobicContact CB-CE 4.38Å; L365-M602 HydrophobicContact CB-SD 4.26Å; E369-M602 HydrophobicContact CG-CE 3.96Å; L565-M602 HydrophobicContact CD2-CE 4.33Å; V568-M602 HydrophobicContact CG1-CG 3.95Å; L598-M602 HydrophobicContact CD1-CG 4.4Å; L598-M602 HydrophobicContact CD1-SD 4.43Å; L598-M602 HydrophobicContact CD2-SD 4.29Å; L598-M602 HydrophobicContact CG-CG 4.31Å; L598-M602 HydrophobicContact CG-SD 3.98Å; L598-M602 WeakPolarHBondContact O-CG 3.29Å; L598-M602 PolarHBondContact O-N 2.9Å; E599-M602 PolarHBondContact O-N 2.83Å; M602-S604 PolarHBondContact O-N 3.08Å; M602-V605 PolarHBondContact O-N 3.41Å; M602-R606 WeakPolarHBondContact O-CB 3.22Å; M602-R606 WeakPolarHBondContact O-CG 3.47Å; M602-R606 PolarHBondContact O-N 3.02Å
603	V	93.9	Very high	93.5	Very high	74 Å²	74	54 Å²	54	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-51.9	-56.6	-175.9	176.9	0	0	0	0	112.1	E599 V605 R606 E607	E599-V603 WeakPolarHBondContact O-CG2 3.21Å; E599-V603 PolarHBondContact O-N 2.98Å; V603-V605 VanDerWaalsContact C-N 3.34Å; V603-V605 PolarHBondContact O-N 2.85Å; V603-R606 PolarHBondContact O-N 3.11Å; V603-E607 WeakPolarHBondContact O-CG 3.17Å; V603-E607 PolarHBondContact O-N 3.19Å
604	S	91.4	Very high	93.8	Very high	70 Å²	70	56.4 Å²	56.4	49%	0.49	28%	0.283	S	S	.	.	H	α-helix	trans	-58.6	-43.3	-176.4	59	0	0	0	0	113	M602 E607 L608	M602-S604 PolarHBondContact O-N 3.08Å; S604-E607 PolarHBondContact O-N 3.11Å; S604-L608 WeakPolarHBondContact O-CG 3.36Å; S604-L608 PolarHBondContact O-N 3.46Å
605	V	93.8	Very high	94	Very high	10 Å²	10	60.6 Å²	60.6	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-70.1	-39	179.6	-177.2	0	0	0	0	110.8	L565 V568 M602 V603 E607 L608 I609	L565-V605 HydrophobicContact CD2-CB 4.48Å; L565-V605 HydrophobicContact CD2-CG1 3.64Å; L565-V605 HydrophobicContact CG-CG1 3.75Å; V568-V605 HydrophobicContact CG2-CG2 4.34Å; M602-V605 PolarHBondContact O-N 3.41Å; V603-V605 VanDerWaalsContact C-N 3.34Å; V603-V605 PolarHBondContact O-N 2.85Å; V605-E607 VanDerWaalsContact C-N 3.35Å; V605-E607 PolarHBondContact O-N 2.86Å; V605-L608 PolarHBondContact O-N 3.32Å; V605-I609 HydrophobicContact CG1-CD1 4.03Å; V605-I609 HydrophobicContact CG1-CG1 4.45Å; V605-I609 VanDerWaalsContact O-CG1 3.25Å; V605-I609 WeakPolarHBondContact O-CG1 3.36Å; V605-I609 PolarHBondContact O-N 3Å
606	R	94.8	Very high	94.3	Very high	69 Å²	69	59.8 Å²	59.8	26%	0.26	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-37.1	176.4	-79.5	178.9	166.4	161.5	4.1	112.8	E369 M602 V603 I609 Q610	E369-R606 IonicContact OE1-CZ 2.92Å; E369-R606 IonicContact OE1-NE 3.97Å; E369-R606 PolarHBondContact OE1-NE 2.87Å; E369-R606 IonicContact OE1-NH2 3.94Å; M602-R606 WeakPolarHBondContact O-CB 3.22Å; M602-R606 WeakPolarHBondContact O-CG 3.47Å; M602-R606 PolarHBondContact O-N 3.02Å; V603-R606 PolarHBondContact O-N 3.11Å; R606-I609 PolarHBondContact O-N 3.43Å; R606-Q610 WeakPolarHBondContact O-CB 3.24Å; R606-Q610 PolarHBondContact O-N 3.14Å
607	E	96	Very high	94.5	Very high	131 Å²	131	61.6 Å²	61.6	61%	0.612	30%	0.301	S	S	*	.	H	α-helix	trans	-61.4	-46.8	173.6	-73.4	176.5	165.5	0	0	111.2	V603 S604 V605 I609 Q610 E611	V603-E607 WeakPolarHBondContact O-CG 3.17Å; V603-E607 PolarHBondContact O-N 3.19Å; S604-E607 PolarHBondContact O-N 3.11Å; V605-E607 VanDerWaalsContact C-N 3.35Å; V605-E607 PolarHBondContact O-N 2.86Å; E607-I609 VanDerWaalsContact C-N 3.35Å; E607-I609 PolarHBondContact O-N 2.87Å; E607-Q610 PolarHBondContact O-N 3.27Å; E607-E611 PolarHBondContact O-N 3.33Å
608	L	95.9	Very high	94.7	Very high	75 Å²	75	64 Å²	64	39%	0.393	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-40.6	175.9	-66.5	174.7	0	0	0	112.4	L561 S604 V605 Q610 E611 N612	L561-L608 HydrophobicContact CD2-CB 3.73Å; L561-L608 HydrophobicContact CD2-CD1 4.16Å; S604-L608 WeakPolarHBondContact O-CG 3.36Å; S604-L608 PolarHBondContact O-N 3.46Å; V605-L608 PolarHBondContact O-N 3.32Å; L608-Q610 VanDerWaalsContact C-N 3.35Å; L608-E611 PolarHBondContact O-N 3.13Å; L608-N612 WeakPolarHBondContact O-CB 3.49Å; L608-N612 PolarHBondContact O-N 3.35Å
609	I	96.2	Very high	94.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-45.8	174.9	-65.8	164.2	0	0	0	110.2	E369 R372 L373 L561 L565 V605 R606 E607 E611 N612 L613	E369-I609 HydrophobicContact CB-CD1 4.41Å; R372-I609 VanDerWaalsContact CZ-CG2 3.47Å; L373-I609 HydrophobicContact CD1-CD1 4.25Å; L373-I609 HydrophobicContact CD1-CG1 4.15Å; L373-I609 HydrophobicContact CD2-CB 4.43Å; L373-I609 HydrophobicContact CD2-CG1 4.22Å; L373-I609 HydrophobicContact CD2-CG2 3.59Å; L373-I609 HydrophobicContact CG-CG1 4.45Å; L373-I609 HydrophobicContact CG-CG2 4.16Å; L561-I609 HydrophobicContact CD1-CG1 4.18Å; L565-I609 HydrophobicContact CD1-CD1 3.8Å; L565-I609 HydrophobicContact CD2-CD1 4.09Å; L565-I609 HydrophobicContact CG-CD1 4.15Å; V605-I609 HydrophobicContact CG1-CD1 4.03Å; V605-I609 HydrophobicContact CG1-CG1 4.45Å; V605-I609 VanDerWaalsContact O-CG1 3.25Å; V605-I609 WeakPolarHBondContact O-CG1 3.36Å; V605-I609 PolarHBondContact O-N 3Å; R606-I609 PolarHBondContact O-N 3.43Å; E607-I609 VanDerWaalsContact C-N 3.35Å; E607-I609 PolarHBondContact O-N 2.87Å; I609-E611 VanDerWaalsContact C-N 3.32Å; I609-E611 PolarHBondContact O-N 3.27Å; I609-N612 PolarHBondContact O-N 3.4Å; I609-L613 HydrophobicContact CG2-CD1 4.04Å; I609-L613 HydrophobicContact CG2-CG 4.27Å; I609-L613 WeakPolarHBondContact O-CG 3.43Å; I609-L613 PolarHBondContact O-N 3.22Å
610	Q	96.6	Very high	95.1	Very high	87 Å²	87	61.7 Å²	61.7	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-40.8	-179.6	-168.1	58.6	46	0	0	111.6	R606 E607 L608 L613 N614	R606-Q610 WeakPolarHBondContact O-CB 3.24Å; R606-Q610 PolarHBondContact O-N 3.14Å; E607-Q610 PolarHBondContact O-N 3.27Å; L608-Q610 VanDerWaalsContact C-N 3.35Å; Q610-L613 PolarHBondContact O-N 3.34Å; Q610-N614 PolarHBondContact NE2-OD1 3.07Å; Q610-N614 WeakPolarHBondContact O-CB 3.37Å; Q610-N614 PolarHBondContact O-N 3.02Å; Q610-N614 PolarHBondContact O-ND2 3.39Å; Q610-N614 PolarHBondContact O-OD1 2.98Å
611	E	96.6	Very high	95.1	Very high	96 Å²	96	58.8 Å²	58.8	45%	0.449	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-45.4	173.7	-168.1	-171.8	159.5	0	0	111.5	E607 L608 I609 L613 N614 K615	E607-E611 PolarHBondContact O-N 3.33Å; L608-E611 PolarHBondContact O-N 3.13Å; I609-E611 VanDerWaalsContact C-N 3.32Å; I609-E611 PolarHBondContact O-N 3.27Å; E611-L613 VanDerWaalsContact C-N 3.35Å; E611-L613 PolarHBondContact O-N 3.11Å; E611-N614 PolarHBondContact O-N 3.22Å; E611-K615 HydrophobicContact CG-CD 4.4Å; E611-K615 WeakPolarHBondContact O-CB 3.38Å; E611-K615 VanDerWaalsContact O-CG 3.31Å; E611-K615 WeakPolarHBondContact O-CG 3.47Å; E611-K615 PolarHBondContact O-N 3.49Å; E611-K615 WeakPolarHBondContact OE1-CE 3.41Å; E611-K615 IonicContact OE1-NZ 2.71Å; E611-K615 PolarHBondContact OE1-NZ 3.23Å
612	N	97	Very high	95.3	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-40.8	177.6	-176.1	-80.6	0	0	0	112.3	E557 R558 L561 L608 I609 Q616	E557-N612 PolarHBondContact OE2-ND2 3.35Å; R558-N612 WeakPolarHBondContact CG-OD1 3.36Å; R558-N612 PolarHBondContact NE-OD1 3.04Å; R558-N612 PolarHBondContact NH2-OD1 3.05Å; R558-N612 VanDerWaalsContact NH2-OD1 3.14Å; L561-N612 HydrophobicContact CD1-CB 4.03Å; L608-N612 WeakPolarHBondContact O-CB 3.49Å; L608-N612 PolarHBondContact O-N 3.35Å; I609-N612 PolarHBondContact O-N 3.4Å; N612-Q616 PolarHBondContact O-N 3.42Å
613	L	96.6	Very high	95.2	Very high	27 Å²	27	57.3 Å²	57.3	14%	0.141	30%	0.295	C	S	.	.	H	α-helix	trans	-68.8	-42.2	177	-67.4	177.8	0	0	0	112.5	R372 A376 I609 Q610 E611 K615 Q616 E617	R372-L613 HydrophobicContact CG-CD1 4.28Å; A376-L613 HydrophobicContact CB-CD2 3.39Å; I609-L613 HydrophobicContact CG2-CD1 4.04Å; I609-L613 HydrophobicContact CG2-CG 4.27Å; I609-L613 WeakPolarHBondContact O-CG 3.43Å; I609-L613 PolarHBondContact O-N 3.22Å; Q610-L613 PolarHBondContact O-N 3.34Å; E611-L613 VanDerWaalsContact C-N 3.35Å; E611-L613 PolarHBondContact O-N 3.11Å; L613-K615 VanDerWaalsContact C-N 3.33Å; L613-K615 PolarHBondContact O-N 3.32Å; L613-Q616 WeakPolarHBondContact O-CB 3.47Å; L613-Q616 PolarHBondContact O-N 3.13Å; L613-E617 PolarHBondContact O-N 3.18Å
614	N	96.6	Very high	95.1	Very high	84 Å²	84	57.1 Å²	57.1	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-62.9	-41.5	176.3	-67.2	-8.2	0	0	0	111.1	Q610 E611 Q616 E617 S618	Q610-N614 PolarHBondContact NE2-OD1 3.07Å; Q610-N614 WeakPolarHBondContact O-CB 3.37Å; Q610-N614 PolarHBondContact O-N 3.02Å; Q610-N614 PolarHBondContact O-ND2 3.39Å; Q610-N614 PolarHBondContact O-OD1 2.98Å; E611-N614 PolarHBondContact O-N 3.22Å; N614-Q616 VanDerWaalsContact C-N 3.35Å; N614-Q616 PolarHBondContact O-N 2.64Å; N614-E617 PolarHBondContact O-N 3.13Å; N614-S618 PolarHBondContact O-N 3.36Å; N614-S618 VanDerWaalsContact O-N 3.12Å
615	K	96.6	Very high	95	Very high	88 Å²	88	57.6 Å²	57.6	38%	0.383	29%	0.29	S	S	.	.	H	α-helix	trans	-59.9	-43.4	174	-75.5	172.9	-177.7	165.9	0	111.6	I554 E611 L613 L619	I554-K615 HydrophobicContact CD1-CB 3.77Å; E611-K615 HydrophobicContact CG-CD 4.4Å; E611-K615 WeakPolarHBondContact O-CB 3.38Å; E611-K615 VanDerWaalsContact O-CG 3.31Å; E611-K615 WeakPolarHBondContact O-CG 3.47Å; E611-K615 PolarHBondContact O-N 3.49Å; E611-K615 WeakPolarHBondContact OE1-CE 3.41Å; E611-K615 IonicContact OE1-NZ 2.71Å; E611-K615 PolarHBondContact OE1-NZ 3.23Å; L613-K615 VanDerWaalsContact C-N 3.33Å; L613-K615 PolarHBondContact O-N 3.32Å; K615-L619 WeakPolarHBondContact O-CB 3.3Å; K615-L619 WeakPolarHBondContact O-CG 3.33Å; K615-L619 PolarHBondContact O-N 2.77Å
616	Q	96	Very high	94.7	Very high	13 Å²	13	60 Å²	60	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-48.5	175.1	177.6	-168.4	-76.5	0	0	111.3	A376 V380 N612 L613 N614 S618 L619 L620	A376-Q616 PolarHBondContact O-OE1 2.91Å; V380-Q616 VanDerWaalsContact CG2-CD 3.41Å; V380-Q616 HydrophobicContact CG2-CG 3.64Å; N612-Q616 PolarHBondContact O-N 3.42Å; L613-Q616 WeakPolarHBondContact O-CB 3.47Å; L613-Q616 PolarHBondContact O-N 3.13Å; N614-Q616 VanDerWaalsContact C-N 3.35Å; N614-Q616 PolarHBondContact O-N 2.64Å; Q616-S618 VanDerWaalsContact C-N 3.33Å; Q616-S618 PolarHBondContact O-N 3.43Å; Q616-L619 PolarHBondContact O-N 3.09Å; Q616-L620 HydrophobicContact CG-CD1 3.67Å; Q616-L620 HydrophobicContact CG-CG 3.96Å; Q616-L620 WeakPolarHBondContact O-CB 3.44Å; Q616-L620 WeakPolarHBondContact O-CG 3.45Å; Q616-L620 PolarHBondContact O-N 2.97Å
617	E	96	Very high	94.2	Very high	120 Å²	120	56.7 Å²	56.7	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-60	-44.6	-176.8	-171.9	171.6	-165.5	0	0	111.6	L613 N614 L620 N621	L613-E617 PolarHBondContact O-N 3.18Å; N614-E617 PolarHBondContact O-N 3.13Å; E617-L620 PolarHBondContact O-N 3.49Å; E617-N621 WeakPolarHBondContact O-CB 3.35Å; E617-N621 VanDerWaalsContact O-CG 3.23Å; E617-N621 PolarHBondContact O-N 3.06Å; E617-N621 PolarHBondContact O-ND2 2.96Å
618	S	95.7	Very high	93.7	Very high	66 Å²	66	54.7 Å²	54.7	46%	0.462	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-49.2	173.9	-170.9	0	0	0	0	112	N614 Q616 L620 N621 D622	N614-S618 PolarHBondContact O-N 3.36Å; N614-S618 VanDerWaalsContact O-N 3.12Å; Q616-S618 VanDerWaalsContact C-N 3.33Å; Q616-S618 PolarHBondContact O-N 3.43Å; S618-L620 PolarHBondContact O-N 3.31Å; S618-N621 PolarHBondContact O-N 3.32Å; S618-D622 PolarHBondContact O-N 3.15Å
619	L	96.2	Very high	93.1	Very high	24 Å²	24	56.6 Å²	56.6	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-67.6	-34.9	-177.6	-71.3	170.3	0	0	0	112.8	L547 K550 L551 I554 K615 Q616 L623	L547-L619 HydrophobicContact CD2-CD2 3.67Å; K550-L619 HydrophobicContact CB-CD1 3.97Å; K550-L619 HydrophobicContact CB-CD2 4.25Å; K550-L619 HydrophobicContact CD-CD2 3.94Å; L551-L619 HydrophobicContact CD2-CB 3.77Å; L551-L619 HydrophobicContact CD2-CD1 4.33Å; L551-L619 HydrophobicContact CG-CB 4.26Å; I554-L619 HydrophobicContact CD1-CD1 3.36Å; I554-L619 HydrophobicContact CG1-CD1 4.43Å; K615-L619 WeakPolarHBondContact O-CB 3.3Å; K615-L619 WeakPolarHBondContact O-CG 3.33Å; K615-L619 PolarHBondContact O-N 2.77Å; Q616-L619 PolarHBondContact O-N 3.09Å; L619-L623 WeakPolarHBondContact O-CB 3.46Å; L619-L623 PolarHBondContact O-N 3.03Å
620	L	94.6	Very high	92.2	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-68.8	-39.6	175.5	-73.3	-179.6	0	0	0	111.6	V380 V383 L551 Q616 E617 S618 L623 Q624	V380-L620 HydrophobicContact CG2-CD1 4.32Å; V380-L620 HydrophobicContact CG2-CD2 4.4Å; V383-L620 HydrophobicContact CB-CD2 4.05Å; V383-L620 HydrophobicContact CG1-CD2 4.08Å; V383-L620 HydrophobicContact CG2-CD1 4.48Å; V383-L620 HydrophobicContact CG2-CD2 4.35Å; L551-L620 HydrophobicContact CD1-CD2 3.92Å; L551-L620 HydrophobicContact CD2-CD2 3.96Å; L551-L620 HydrophobicContact CD2-CG 4.18Å; Q616-L620 HydrophobicContact CG-CD1 3.67Å; Q616-L620 HydrophobicContact CG-CG 3.96Å; Q616-L620 WeakPolarHBondContact O-CB 3.44Å; Q616-L620 WeakPolarHBondContact O-CG 3.45Å; Q616-L620 PolarHBondContact O-N 2.97Å; E617-L620 PolarHBondContact O-N 3.49Å; S618-L620 PolarHBondContact O-N 3.31Å; L620-L623 PolarHBondContact O-N 3.41Å; L620-Q624 WeakPolarHBondContact O-CB 3.3Å; L620-Q624 WeakPolarHBondContact O-CG 3.28Å; L620-Q624 PolarHBondContact O-N 3.49Å
621	N	94.1	Very high	91.1	Very high	79 Å²	79	57.9 Å²	57.9	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-43.2	175.5	-71.2	-21.5	0	0	0	111.6	E617 S618 Q624 T625	E617-N621 WeakPolarHBondContact O-CB 3.35Å; E617-N621 VanDerWaalsContact O-CG 3.23Å; E617-N621 PolarHBondContact O-N 3.06Å; E617-N621 PolarHBondContact O-ND2 2.96Å; S618-N621 PolarHBondContact O-N 3.32Å; N621-Q624 PolarHBondContact O-N 2.93Å; N621-T625 WeakPolarHBondContact O-CB 3.06Å; N621-T625 PolarHBondContact O-N 3.09Å; N621-T625 PolarHBondContact O-OG1 3.45Å
622	D	93.5	Very high	89.4	Confident	78 Å²	78	55 Å²	55	42%	0.417	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175	-70.9	-18.7	0	0	0	110.8	L547 S618 T625 K626	L547-D622 HydrophobicContact CD1-CB 4.27Å; L547-D622 HydrophobicContact CD2-CB 4.15Å; S618-D622 PolarHBondContact O-N 3.15Å; D622-T625 PolarHBondContact O-N 3.37Å; D622-K626 WeakPolarHBondContact O-CB 3.41Å; D622-K626 WeakPolarHBondContact O-CG 3.09Å; D622-K626 PolarHBondContact O-N 3.21Å
623	L	91.7	Very high	87.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-48.6	176.9	-176.1	103.3	0	0	0	111.3	V383 L384 L389 L544 L547 L551 L619 L620 K626 A627	V383-L623 HydrophobicContact CG1-CD2 3.96Å; L384-L623 HydrophobicContact CD2-CD1 4.17Å; L384-L623 HydrophobicContact CD2-CD2 3.93Å; L389-L623 HydrophobicContact CD1-CD1 4Å; L389-L623 HydrophobicContact CD1-CD2 4.31Å; L389-L623 HydrophobicContact CD1-CG 4.23Å; L544-L623 HydrophobicContact CD2-CD1 4.22Å; L544-L623 HydrophobicContact CD2-CG 4.43Å; L547-L623 HydrophobicContact CB-CD1 3.82Å; L547-L623 HydrophobicContact CD1-CB 4.39Å; L551-L623 HydrophobicContact CD1-CD1 4.07Å; L551-L623 HydrophobicContact CD1-CD2 4.27Å; L619-L623 WeakPolarHBondContact O-CB 3.46Å; L619-L623 PolarHBondContact O-N 3.03Å; L620-L623 PolarHBondContact O-N 3.41Å; L623-K626 PolarHBondContact O-N 2.91Å; L623-A627 WeakPolarHBondContact O-CB 3.49Å; L623-A627 PolarHBondContact O-N 2.77Å
624	Q	90.6	Very high	84.6	Confident	71 Å²	71	63.6 Å²	63.6	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-60.1	-49.5	178	-77.7	177.5	-16.8	0	0	111.4	V383 Y387 L620 N621 K626 A627 D628	V383-Q624 HydrophobicContact CG1-CG 4.17Å; Y387-Q624 HydrophobicContact CE2-CG 3.95Å; L620-Q624 WeakPolarHBondContact O-CB 3.3Å; L620-Q624 WeakPolarHBondContact O-CG 3.28Å; L620-Q624 PolarHBondContact O-N 3.49Å; N621-Q624 PolarHBondContact O-N 2.93Å; Q624-K626 VanDerWaalsContact C-N 3.32Å; Q624-K626 PolarHBondContact O-N 2.87Å; Q624-A627 PolarHBondContact O-N 3.29Å; Q624-D628 WeakPolarHBondContact O-CB 3.37Å; Q624-D628 PolarHBondContact O-N 3.31Å
625	T	90.3	Very high	82.1	Confident	79 Å²	79	66.4 Å²	66.4	49%	0.485	37%	0.372	S	S	.	.	H	α-helix	trans	-57.6	-46.6	179.2	-57	0	0	0	0	111.2	N621 D622 M629	N621-T625 WeakPolarHBondContact O-CB 3.06Å; N621-T625 PolarHBondContact O-N 3.09Å; N621-T625 PolarHBondContact O-OG1 3.45Å; D622-T625 PolarHBondContact O-N 3.37Å; T625-M629 HydrophobicContact CG2-SD 4.42Å; T625-M629 VanDerWaalsContact O-CG 3.23Å; T625-M629 WeakPolarHBondContact O-CG 3.19Å; T625-M629 PolarHBondContact O-N 3.37Å; T625-M629 VanDerWaalsContact O-N 3.1Å
626	K	87.9	Confident	79.7	Confident	60 Å²	60	65 Å²	65	26%	0.261	38%	0.383	S	S	.	.	H	α-helix	trans	-72.1	-34.8	-179.4	-65.4	-70.8	-179.1	159.9	0	112.4	L540 E543 L544 L547 D622 L623 Q624 M629 F630	L540-K626 HydrophobicContact CD2-CB 4.47Å; L540-K626 HydrophobicContact CD2-CD 3.83Å; E543-K626 IonicContact OE1-NZ 3.68Å; E543-K626 WeakPolarHBondContact OE2-CD 3.47Å; E543-K626 VanDerWaalsContact OE2-CE 3.23Å; E543-K626 WeakPolarHBondContact OE2-CE 3.21Å; E543-K626 IonicContact OE2-NZ 3.71Å; E543-K626 PolarHBondContact OE2-NZ 2.92Å; L544-K626 HydrophobicContact CD2-CB 3.78Å; L544-K626 HydrophobicContact CG-CB 4.11Å; L547-K626 HydrophobicContact CD1-CB 4.46Å; L547-K626 HydrophobicContact CD1-CG 4.28Å; D622-K626 WeakPolarHBondContact O-CB 3.41Å; D622-K626 WeakPolarHBondContact O-CG 3.09Å; D622-K626 PolarHBondContact O-N 3.21Å; L623-K626 PolarHBondContact O-N 2.91Å; Q624-K626 VanDerWaalsContact C-N 3.32Å; Q624-K626 PolarHBondContact O-N 2.87Å; K626-M629 HydrophobicContact CD-SD 4.35Å; K626-M629 PolarHBondContact O-N 3.33Å; K626-F630 WeakPolarHBondContact O-CB 3.44Å; K626-F630 PolarHBondContact O-N 2.92Å
627	A	84.6	Confident	77.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-68.6	-43.7	176.9	0	0	0	0	0	110.7	Y387 L544 L623 Q624 M629 F630 Y631	Y387-A627 HydrophobicContact CD1-CB 3.49Å; Y387-A627 VanDerWaalsContact CD1-CB 3.49Å; Y387-A627 HydrophobicContact CD2-CB 4.26Å; Y387-A627 HydrophobicContact CE1-CB 3.54Å; Y387-A627 HydrophobicContact CE2-CB 4.34Å; Y387-A627 HydrophobicContact CG-CB 3.84Å; L544-A627 HydrophobicContact CD2-CB 4.12Å; L623-A627 WeakPolarHBondContact O-CB 3.49Å; L623-A627 PolarHBondContact O-N 2.77Å; Q624-A627 PolarHBondContact O-N 3.29Å; A627-M629 VanDerWaalsContact C-N 3.28Å; A627-M629 PolarHBondContact O-N 3.45Å; A627-F630 PolarHBondContact O-N 3.05Å; A627-Y631 HydrophobicContact CB-CD2 4.33Å; A627-Y631 HydrophobicContact CB-CE2 4.29Å; A627-Y631 WeakPolarHBondContact O-CD2 3.44Å; A627-Y631 PolarHBondContact O-N 3.06Å
628	D	83.9	Confident	74.9	Confident	89 Å²	89	68.5 Å²	68.5	48%	0.476	41%	0.414	S	S	.	.	H	α-helix	trans	-62.2	-37.3	175.1	-67.2	-13.3	0	0	0	111.5	Y387 Q624 G632	Y387-D628 VanDerWaalsContact CE1-OD1 3.29Å; Y387-D628 WeakPolarHBondContact CE1-OD1 3.42Å; Y387-D628 PolarHBondContact OH-OD1 2.87Å; Q624-D628 WeakPolarHBondContact O-CB 3.37Å; Q624-D628 PolarHBondContact O-N 3.31Å; D628-G632 CarbonylContact O-C 3.55Å; D628-G632 VanDerWaalsContact O-CA 3.31Å; D628-G632 WeakPolarHBondContact O-CA 3.39Å; D628-G632 PolarHBondContact O-N 3.17Å
629	M	83.8	Confident	72.6	Confident	116 Å²	116	74.1 Å²	74.1	57%	0.571	43%	0.43	S	S	*	.	H	α-helix	trans	-64.8	-38.1	171.8	-72.5	175.4	70.4	0	0	112.6	L540 T625 K626 A627	L540-M629 HydrophobicContact CD2-CB 4.23Å; L540-M629 HydrophobicContact CD2-CE 4.47Å; T625-M629 HydrophobicContact CG2-SD 4.42Å; T625-M629 VanDerWaalsContact O-CG 3.23Å; T625-M629 WeakPolarHBondContact O-CG 3.19Å; T625-M629 PolarHBondContact O-N 3.37Å; T625-M629 VanDerWaalsContact O-N 3.1Å; K626-M629 HydrophobicContact CD-SD 4.35Å; K626-M629 PolarHBondContact O-N 3.33Å; A627-M629 VanDerWaalsContact C-N 3.28Å; A627-M629 PolarHBondContact O-N 3.45Å
630	F	77.3	Confident	70.3	Confident	44 Å²	44	79.9 Å²	79.9	19%	0.193	46%	0.461	C	S	.	.	H	α-helix	trans	-74.8	-43.4	-177.4	-177	-98.4	0	0	0	112.7	L393 N537 L540 K541 L544 K626 A627	L393-F630 HydrophobicContact CD2-CE1 4.35Å; L393-F630 HydrophobicContact CD2-CZ 4.42Å; N537-F630 HydrophobicContact CB-CE2 4.25Å; L540-F630 HydrophobicContact CB-CD2 4.06Å; K541-F630 HydrophobicContact CB-CE2 4.01Å; L544-F630 HydrophobicContact CD1-CB 3.71Å; L544-F630 HydrophobicContact CD1-CD1 4.33Å; L544-F630 HydrophobicContact CD1-CD2 4.34Å; L544-F630 HydrophobicContact CD1-CG 3.88Å; K626-F630 WeakPolarHBondContact O-CB 3.44Å; K626-F630 PolarHBondContact O-N 2.92Å; A627-F630 PolarHBondContact O-N 3.05Å
631	Y	74	Confident	68.7	Low	70 Å²	70	84.3 Å²	84.3	28%	0.275	48%	0.479	S	S	.	.	H	α-helix	trans	-85	-13	179.5	-63.1	-66.4	0	0	0	113.4	Y387 A392 A627	Y387-Y631 AromaticContact CD1-CD2 3.91Å; Y387-Y631 HydrophobicContact CD1-CD2 3.91Å; Y387-Y631 AromaticContact CD1-CE2 3.94Å; Y387-Y631 HydrophobicContact CD1-CE2 3.94Å; Y387-Y631 PolarHBondContact O-OH 3.12Å; A392-Y631 HydrophobicContact CB-CE1 4.39Å; A392-Y631 WeakPolarHBondContact CB-OH 3.4Å; A627-Y631 HydrophobicContact CB-CD2 4.33Å; A627-Y631 HydrophobicContact CB-CE2 4.29Å; A627-Y631 WeakPolarHBondContact O-CD2 3.44Å; A627-Y631 PolarHBondContact O-N 3.06Å
632	G	60.9	Low	67.5	Low	35 Å²	35	81.6 Å²	81.6	36%	0.361	47%	0.47	S	S	.	.			trans	66.7	167.4	-169.7	0	0	0	0	0	111.6	D628 S634	D628-G632 CarbonylContact O-C 3.55Å; D628-G632 VanDerWaalsContact O-CA 3.31Å; D628-G632 WeakPolarHBondContact O-CA 3.39Å; D628-G632 PolarHBondContact O-N 3.17Å; G632-S634 PolarHBondContact O-N 3.26Å
633	A	50.6	Low	66.8	Low	120 Å²	120	79.4 Å²	79.4	99%	0.992	46%	0.458	S	S	*	.	S	Bend	trans	-64.5	13.7	175.3	0	0	0	0	0	114.3
634	S	42.7	Very low	66.1	Low	91 Å²	91	80.2 Å²	80.2	64%	0.636	46%	0.463	S	S	*	.	S	Bend	trans	-77.8	124.5	172.1	-179.9	0	0	0	0	108.3	G632 G636	G632-S634 PolarHBondContact O-N 3.26Å; S634-G636 PolarHBondContact O-N 3.43Å
635	D	44	Very low	65.4	Low	142 Å²	142	77 Å²	77	76%	0.759	45%	0.447	S	S	*	.			trans	-27.3	102.7	178.5	-86.3	-38	0	0	0	112.4	N637	D635-N637 HydrophobicContact CB-CB 4.11Å; D635-N637 PolarHBondContact O-N 3.28Å
636	G	45.9	Very low	65.1	Low	59 Å²	59	75.2 Å²	75.2	61%	0.608	43%	0.434	S	S	*	.			trans	-66.2	35	168.6	0	0	0	0	0	112.5	S634	S634-G636 PolarHBondContact O-N 3.43Å
637	N	43.2	Very low	65	Low	112 Å²	112	72.4 Å²	72.4	60%	0.599	42%	0.422	S	S	*	.			trans	-116.1	30.7	-169.7	-136.3	4.4	0	0	0	110.1	D635 K639	D635-N637 HydrophobicContact CB-CB 4.11Å; D635-N637 PolarHBondContact O-N 3.28Å; N637-K639 PolarHBondContact O-N 3.48Å
638	S	47.7	Very low	64.9	Low	95 Å²	95	73 Å²	73	66%	0.664	43%	0.426	S	S	*	.			trans	-65.2	96.3	158.3	68	0	0	0	0	106.6	D640	S638-D640 PolarHBondContact O-N 3.24Å
639	K	46.6	Very low	64.8	Low	184 Å²	184	70.1 Å²	70.1	80%	0.8	41%	0.41	S	S	*	.			trans	-57.3	-13.2	-177.1	-74.4	-178.4	175.3	178.3	0	113.8	N637 K641	N637-K639 PolarHBondContact O-N 3.48Å; K639-K641 PolarHBondContact O-N 3.26Å
640	D	49.4	Very low	65.1	Low	145 Å²	145	64.6 Å²	64.6	78%	0.775	38%	0.383	S	S	*	.			trans	-82	92.1	170.5	-82.5	-22.2	0	0	0	110.5	S638 G642	S638-D640 PolarHBondContact O-N 3.24Å; D640-G642 PolarHBondContact O-N 3.08Å
641	K	60.1	Low	65.7	Low	101 Å²	101	62.5 Å²	62.5	44%	0.439	37%	0.373	S	S	.	.			trans	-62.5	114.8	160.9	-63.9	178.3	178.6	-177.1	0	106.9	K639 M646	K639-K641 PolarHBondContact O-N 3.26Å; K641-M646 HydrophobicContact CB-CG 3.77Å; K641-M646 HydrophobicContact CB-SD 3.71Å; K641-M646 HydrophobicContact CD-SD 3.59Å; K641-M646 VanDerWaalsContact CD-SD 3.59Å; K641-M646 HydrophobicContact CG-SD 4.29Å
642	G	68.3	Low	66.2	Low	22 Å²	22	60.4 Å²	60.4	23%	0.227	37%	0.367	C	S	.	.			trans	-56.4	149	-179	0	0	0	0	0	111.6	N388 D640 L644 T645 M646	N388-G642 PolarHBondContact ND2-N 3.14Å; N388-G642 PolarHBondContact OD1-N 3.25Å; D640-G642 PolarHBondContact O-N 3.08Å; G642-L644 PolarHBondContact O-N 3.05Å; G642-L644 VanDerWaalsContact O-N 3.08Å; G642-T645 PolarHBondContact O-N 3.21Å; G642-M646 PolarHBondContact O-N 3.38Å
643	L	78.9	Confident	67.5	Low	33 Å²	33	60.7 Å²	60.7	17%	0.173	36%	0.359	C	S	.	.	H	α-helix	trans	-50.7	-41.6	-172.5	179.4	62.4	0	0	0	112.1	I510 D525 T645 M646 L647	I510-L643 HydrophobicContact CD1-CD1 4.19Å; D525-L643 HydrophobicContact CB-CB 4.34Å; D525-L643 HydrophobicContact CB-CD2 4.05Å; D525-L643 WeakPolarHBondContact OD2-CB 3.38Å; D525-L643 PolarHBondContact OD2-N 2.81Å; L643-T645 PolarHBondContact O-N 3.02Å; L643-M646 PolarHBondContact O-N 3.29Å; L643-L647 HydrophobicContact CD1-CD1 4.23Å; L643-L647 HydrophobicContact CD1-CD2 4.45Å; L643-L647 HydrophobicContact CD1-CG 4.09Å; L643-L647 HydrophobicContact CD2-CD1 4.45Å; L643-L647 HydrophobicContact CG-CD1 3.87Å; L643-L647 HydrophobicContact CG-CG 4.18Å; L643-L647 WeakPolarHBondContact O-CB 3.48Å; L643-L647 VanDerWaalsContact O-CG 3.26Å; L643-L647 WeakPolarHBondContact O-CG 3.46Å; L643-L647 PolarHBondContact O-N 2.8Å
644	L	76.9	Confident	69.6	Low	17 Å²	17	55.1 Å²	55.1	9%	0.089	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-40.1	179.4	-75.5	170.2	0	0	0	113.8	A391 L394 I405 I522 G642 N648	A391-L644 HydrophobicContact CB-CB 3.6Å; L394-L644 HydrophobicContact CD1-CD1 3.77Å; I405-L644 HydrophobicContact CD1-CB 4.23Å; I405-L644 HydrophobicContact CD1-CD2 3.46Å; I405-L644 VanDerWaalsContact CD1-CD2 3.46Å; I405-L644 HydrophobicContact CD1-CG 4.48Å; I405-L644 WeakPolarHBondContact CD1-O 3.47Å; I522-L644 HydrophobicContact CB-CD2 4.43Å; I522-L644 HydrophobicContact CD1-CD2 4.06Å; I522-L644 HydrophobicContact CG1-CD2 3.94Å; I522-L644 HydrophobicContact CG2-CD1 4.36Å; I522-L644 HydrophobicContact CG2-CD2 3.71Å; I522-L644 HydrophobicContact CG2-CG 4.31Å; G642-L644 PolarHBondContact O-N 3.05Å; G642-L644 VanDerWaalsContact O-N 3.08Å; L644-N648 PolarHBondContact O-N 2.91Å
645	T	76.9	Confident	71.8	Confident	2 Å²	2	54 Å²	54	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-43.7	176	-62.2	0	0	0	0	110.1	N388 A391 G642 L643 L647 N648 L649	N388-T645 VanDerWaalsContact C-OG1 3.31Å; N388-T645 PolarHBondContact O-OG1 3.27Å; N388-T645 VanDerWaalsContact O-OG1 3.12Å; N388-T645 WeakPolarHBondContact OD1-CB 3.39Å; N388-T645 PolarHBondContact OD1-OG1 3Å; A391-T645 WeakPolarHBondContact CB-OG1 3.44Å; G642-T645 PolarHBondContact O-N 3.21Å; L643-T645 PolarHBondContact O-N 3.02Å; T645-L647 VanDerWaalsContact C-N 3.32Å; T645-L647 PolarHBondContact O-N 3.19Å; T645-N648 PolarHBondContact O-N 3.32Å; T645-L649 HydrophobicContact CG2-CD1 3.97Å; T645-L649 HydrophobicContact CG2-CG 4.43Å; T645-L649 VanDerWaalsContact O-CG 3.3Å; T645-L649 WeakPolarHBondContact O-CG 3.42Å; T645-L649 PolarHBondContact O-N 3.09Å
646	M	83	Confident	73.9	Confident	43 Å²	43	49 Å²	49	21%	0.212	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-38.7	178.3	-67.9	-64.2	-72.8	0	0	112	H507 K641 G642 L643 A650	H507-M646 WeakPolarHBondContact NE2-CB 3.29Å; K641-M646 HydrophobicContact CB-CG 3.77Å; K641-M646 HydrophobicContact CB-SD 3.71Å; K641-M646 HydrophobicContact CD-SD 3.59Å; K641-M646 VanDerWaalsContact CD-SD 3.59Å; K641-M646 HydrophobicContact CG-SD 4.29Å; G642-M646 PolarHBondContact O-N 3.38Å; L643-M646 PolarHBondContact O-N 3.29Å; M646-A650 WeakPolarHBondContact O-CB 3.45Å; M646-A650 PolarHBondContact O-N 3.49Å
647	L	86.2	Confident	76.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-41.1	174.8	-70.3	175.7	0	0	0	112.3	I405 H507 I510 L511 L518 I522 L643 T645 A650 A651	I405-L647 HydrophobicContact CG2-CB 4.34Å; H507-L647 HydrophobicContact CB-CD2 4.41Å; I510-L647 HydrophobicContact CB-CD2 3.9Å; I510-L647 HydrophobicContact CG2-CD1 4.27Å; I510-L647 HydrophobicContact CG2-CD2 3.6Å; L511-L647 HydrophobicContact CD2-CB 4.18Å; L511-L647 HydrophobicContact CD2-CD2 4.08Å; L511-L647 HydrophobicContact CG-CD2 3.91Å; L518-L647 HydrophobicContact CD1-CD1 4.3Å; I522-L647 HydrophobicContact CG1-CD1 4.33Å; L643-L647 HydrophobicContact CD1-CD1 4.23Å; L643-L647 HydrophobicContact CD1-CD2 4.45Å; L643-L647 HydrophobicContact CD1-CG 4.09Å; L643-L647 HydrophobicContact CD2-CD1 4.45Å; L643-L647 HydrophobicContact CG-CD1 3.87Å; L643-L647 HydrophobicContact CG-CG 4.18Å; L643-L647 WeakPolarHBondContact O-CB 3.48Å; L643-L647 VanDerWaalsContact O-CG 3.26Å; L643-L647 WeakPolarHBondContact O-CG 3.46Å; L643-L647 PolarHBondContact O-N 2.8Å; T645-L647 VanDerWaalsContact C-N 3.32Å; T645-L647 PolarHBondContact O-N 3.19Å; L647-A650 PolarHBondContact O-N 2.94Å; L647-A651 WeakPolarHBondContact O-CB 3.37Å; L647-A651 PolarHBondContact O-N 3.34Å
648	N	81.9	Confident	78.5	Confident	14 Å²	14	42.3 Å²	42.3	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-42.8	177.2	-170.4	49.3	0	0	0	111.8	I405 K408 L644 T645 A651 D652	I405-N648 HydrophobicContact CD1-CB 4.44Å; I405-N648 HydrophobicContact CG1-CB 4.33Å; K408-N648 PolarHBondContact NZ-OD1 3.21Å; L644-N648 PolarHBondContact O-N 2.91Å; T645-N648 PolarHBondContact O-N 3.32Å; N648-A651 PolarHBondContact O-N 2.86Å; N648-D652 PolarHBondContact O-N 3.35Å
649	L	83.3	Confident	80.5	Confident	28 Å²	28	40.5 Å²	40.5	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-42.1	174.8	-68.2	169.2	0	0	0	111.7	N381 A385 T645 A651 D652 E653	N381-L649 HydrophobicContact CB-CD2 3.91Å; A385-L649 HydrophobicContact CB-CD1 3.46Å; A385-L649 VanDerWaalsContact CB-CD1 3.46Å; A385-L649 HydrophobicContact CB-CD2 4.08Å; A385-L649 HydrophobicContact CB-CG 4.35Å; T645-L649 HydrophobicContact CG2-CD1 3.97Å; T645-L649 HydrophobicContact CG2-CG 4.43Å; T645-L649 VanDerWaalsContact O-CG 3.3Å; T645-L649 WeakPolarHBondContact O-CG 3.42Å; T645-L649 PolarHBondContact O-N 3.09Å; L649-A651 VanDerWaalsContact C-N 3.33Å; L649-A651 PolarHBondContact O-N 3.26Å; L649-D652 PolarHBondContact O-N 3.44Å; L649-E653 WeakPolarHBondContact O-CB 3.35Å; L649-E653 PolarHBondContact O-N 2.99Å
650	A	90.1	Very high	82.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-38.1	175.8	0	0	0	0	0	111.5	H507 F508 L511 M646 L647 D652 E653 Y654	H507-A650 HydrophobicContact CB-CB 3.43Å; H507-A650 VanDerWaalsContact CB-CB 3.43Å; F508-A650 HydrophobicContact CD1-CB 4.02Å; F508-A650 HydrophobicContact CE1-CB 4Å; F508-A650 WeakPolarHBondContact CE1-O 3.34Å; L511-A650 HydrophobicContact CD1-CB 3.9Å; M646-A650 WeakPolarHBondContact O-CB 3.45Å; M646-A650 PolarHBondContact O-N 3.49Å; L647-A650 PolarHBondContact O-N 2.94Å; A650-D652 VanDerWaalsContact C-N 3.35Å; A650-D652 PolarHBondContact O-N 2.85Å; A650-E653 PolarHBondContact O-N 3.46Å; A650-Y654 VanDerWaalsContact O-CB 3.28Å; A650-Y654 WeakPolarHBondContact O-CB 3.22Å; A650-Y654 PolarHBondContact O-N 3.11Å
651	A	88.6	Confident	84.6	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.8	-39.1	177.8	0	0	0	0	0	113	K408 L511 L647 N648 L649 S655	K408-A651 HydrophobicContact CB-CB 3.78Å; K408-A651 HydrophobicContact CD-CB 3.69Å; K408-A651 HydrophobicContact CG-CB 4.34Å; L511-A651 HydrophobicContact CD1-CB 3.88Å; L647-A651 WeakPolarHBondContact O-CB 3.37Å; L647-A651 PolarHBondContact O-N 3.34Å; N648-A651 PolarHBondContact O-N 2.86Å; L649-A651 VanDerWaalsContact C-N 3.33Å; L649-A651 PolarHBondContact O-N 3.26Å; A651-S655 PolarHBondContact O-N 3.1Å; A651-S655 PolarHBondContact O-OG 3.24Å; A651-S655 VanDerWaalsContact O-OG 3.05Å
652	D	84.2	Confident	86.2	Confident	26 Å²	26	28.6 Å²	28.6	14%	0.139	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-44.4	174.1	-72.2	-9.7	0	0	0	111.5	N381 K408 K555 N648 L649 A650 Y654 S655 A656	N381-D652 PolarHBondContact ND2-OD2 3.46Å; N381-D652 PolarHBondContact OD1-OD2 3.11Å; K408-D652 IonicContact NZ-OD1 3.79Å; K408-D652 PolarHBondContact NZ-OD1 2.83Å; K408-D652 IonicContact NZ-OD2 2.69Å; K555-D652 IonicContact NZ-OD1 3.07Å; K555-D652 IonicContact NZ-OD2 2.79Å; K555-D652 PolarHBondContact NZ-OD2 3.1Å; N648-D652 PolarHBondContact O-N 3.35Å; L649-D652 PolarHBondContact O-N 3.44Å; A650-D652 VanDerWaalsContact C-N 3.35Å; A650-D652 PolarHBondContact O-N 2.85Å; D652-Y654 VanDerWaalsContact C-N 3.32Å; D652-Y654 PolarHBondContact O-N 3Å; D652-S655 PolarHBondContact O-N 3Å; D652-A656 PolarHBondContact O-N 3.44Å
653	E	89.8	Confident	87.2	Confident	40 Å²	40	29.7 Å²	29.7	19%	0.187	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-37.5	178.1	-177.2	62.2	-173.8	0	0	111.7	R500 F508 L649 A650 S655 A656 L657	R500-E653 IonicContact CZ-OE1 3.87Å; R500-E653 IonicContact NE-OE1 3.8Å; R500-E653 PolarHBondContact NE-OE1 3.43Å; R500-E653 IonicContact NH2-OE1 2.89Å; R500-E653 PolarHBondContact NH2-OE1 3.35Å; R500-E653 IonicContact NH2-OE2 2.75Å; R500-E653 PolarHBondContact NH2-OE2 3.18Å; F508-E653 HydrophobicContact CE1-CB 4.44Å; F508-E653 HydrophobicContact CZ-CB 4.44Å; F508-E653 HydrophobicContact CZ-CG 4.11Å; L649-E653 WeakPolarHBondContact O-CB 3.35Å; L649-E653 PolarHBondContact O-N 2.99Å; A650-E653 PolarHBondContact O-N 3.46Å; E653-S655 VanDerWaalsContact C-N 3.32Å; E653-S655 PolarHBondContact O-N 3.31Å; E653-A656 PolarHBondContact O-N 2.97Å; E653-L657 WeakPolarHBondContact O-CB 3.26Å; E653-L657 PolarHBondContact O-N 3.4Å
654	Y	94.1	Very high	87.8	Confident	3 Å²	3	28.2 Å²	28.2	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-46.1	173.5	179.8	-83.8	0	0	0	110.9	V412 D415 G417 L421 F508 A650 D652 L657 T658	V412-Y654 HydrophobicContact CB-CD1 4.34Å; V412-Y654 HydrophobicContact CB-CE1 4.21Å; V412-Y654 HydrophobicContact CG1-CD1 4.32Å; V412-Y654 HydrophobicContact CG1-CD2 4.09Å; V412-Y654 HydrophobicContact CG1-CE1 4.09Å; V412-Y654 HydrophobicContact CG1-CE2 3.85Å; V412-Y654 HydrophobicContact CG1-CG 4.32Å; V412-Y654 HydrophobicContact CG2-CD1 3.67Å; V412-Y654 HydrophobicContact CG2-CE1 4.04Å; V412-Y654 HydrophobicContact CG2-CG 3.94Å; D415-Y654 HydrophobicContact CB-CE1 4.27Å; G417-Y654 PolarHBondContact N-OH 2.85Å; G417-Y654 PolarHBondContact O-OH 3.47Å; L421-Y654 HydrophobicContact CB-CE2 4.01Å; L421-Y654 HydrophobicContact CD2-CD2 3.58Å; L421-Y654 HydrophobicContact CD2-CE2 3.57Å; L421-Y654 HydrophobicContact CD2-CG 4.36Å; L421-Y654 HydrophobicContact CG-CE2 4.43Å; F508-Y654 HydrophobicContact CD1-CD2 4.21Å; F508-Y654 HydrophobicContact CG-CD2 4.23Å; A650-Y654 VanDerWaalsContact O-CB 3.28Å; A650-Y654 WeakPolarHBondContact O-CB 3.22Å; A650-Y654 PolarHBondContact O-N 3.11Å; D652-Y654 VanDerWaalsContact C-N 3.32Å; D652-Y654 PolarHBondContact O-N 3Å; Y654-L657 PolarHBondContact O-N 3.44Å; Y654-T658 WeakPolarHBondContact CE1-OG1 3.28Å; Y654-T658 VanDerWaalsContact O-CB 3.28Å; Y654-T658 WeakPolarHBondContact O-CB 3.43Å; Y654-T658 PolarHBondContact O-N 2.97Å; Y654-T658 PolarHBondContact O-OG1 3.43Å
655	S	89	Confident	88.5	Confident	67 Å²	67	29.9 Å²	29.9	47%	0.469	16%	0.161	S	C	.	.	H	α-helix	trans	-64.2	-45.8	179.1	-57.2	0	0	0	0	111.1	A651 D652 E653 T658 E659	A651-S655 PolarHBondContact O-N 3.1Å; A651-S655 PolarHBondContact O-OG 3.24Å; A651-S655 VanDerWaalsContact O-OG 3.05Å; D652-S655 PolarHBondContact O-N 3Å; E653-S655 VanDerWaalsContact C-N 3.32Å; E653-S655 PolarHBondContact O-N 3.31Å; S655-T658 PolarHBondContact O-N 3.34Å; S655-E659 PolarHBondContact O-N 3.02Å
656	A	87.1	Confident	89.2	Confident	39 Å²	39	35.7 Å²	35.7	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-64.4	-40.3	178.2	0	0	0	0	0	112.7	D652 E653 A660	D652-A656 PolarHBondContact O-N 3.44Å; E653-A656 PolarHBondContact O-N 2.97Å; A656-A660 WeakPolarHBondContact O-CB 3.29Å; A656-A660 PolarHBondContact O-N 2.9Å
657	L	92.5	Very high	89.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.7	-39.6	179.3	-172.1	59.3	0	0	0	111.4	L421 L425 L497 R500 Y501 F508 E653 Y654 E659 A660 V661	L421-L657 HydrophobicContact CD2-CD2 4.12Å; L421-L657 HydrophobicContact CD2-CG 4.39Å; L425-L657 HydrophobicContact CD1-CD2 4.32Å; L497-L657 HydrophobicContact CB-CD1 4.04Å; L497-L657 HydrophobicContact CD2-CD1 3.98Å; R500-L657 HydrophobicContact CB-CD1 4.31Å; Y501-L657 HydrophobicContact CD2-CD2 4.16Å; F508-L657 HydrophobicContact CE2-CD2 4.24Å; E653-L657 WeakPolarHBondContact O-CB 3.26Å; E653-L657 PolarHBondContact O-N 3.4Å; Y654-L657 PolarHBondContact O-N 3.44Å; L657-E659 VanDerWaalsContact C-N 3.32Å; L657-E659 PolarHBondContact O-N 2.71Å; L657-A660 PolarHBondContact O-N 2.92Å; L657-V661 HydrophobicContact CD1-CG2 4.48Å; L657-V661 WeakPolarHBondContact O-CB 3.42Å; L657-V661 VanDerWaalsContact O-CG2 3.26Å; L657-V661 WeakPolarHBondContact O-CG2 3.33Å; L657-V661 PolarHBondContact O-N 3.13Å
658	T	93.6	Very high	90.1	Very high	30 Å²	30	35 Å²	35	18%	0.184	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-42.2	174.4	-58.5	0	0	0	0	111.1	Y654 S655 R662	Y654-T658 WeakPolarHBondContact CE1-OG1 3.28Å; Y654-T658 VanDerWaalsContact O-CB 3.28Å; Y654-T658 WeakPolarHBondContact O-CB 3.43Å; Y654-T658 PolarHBondContact O-N 2.97Å; Y654-T658 PolarHBondContact O-OG1 3.43Å; S655-T658 PolarHBondContact O-N 3.34Å; T658-R662 WeakPolarHBondContact O-CB 3.41Å; T658-R662 PolarHBondContact O-N 3.29Å
659	E	89.2	Confident	90.7	Very high	56 Å²	56	37.2 Å²	37.2	26%	0.262	20%	0.202	S	C	.	.	H	α-helix	trans	-64.8	-45.3	175.2	-163.7	-178.8	-169.6	0	0	111.5	R374 S655 L657 V661 R662 D663	R374-E659 IonicContact CZ-OE2 3.15Å; R374-E659 IonicContact NE-OE2 3.33Å; R374-E659 IonicContact NH2-OE1 3.47Å; R374-E659 PolarHBondContact NH2-OE1 3.38Å; R374-E659 IonicContact NH2-OE2 2.94Å; R374-E659 PolarHBondContact NH2-OE2 2.46Å; S655-E659 PolarHBondContact O-N 3.02Å; L657-E659 VanDerWaalsContact C-N 3.32Å; L657-E659 PolarHBondContact O-N 2.71Å; E659-V661 VanDerWaalsContact C-N 3.34Å; E659-V661 PolarHBondContact O-N 2.84Å; E659-R662 WeakPolarHBondContact O-CB 3.3Å; E659-R662 PolarHBondContact O-N 3.32Å; E659-D663 PolarHBondContact O-N 2.84Å
660	A	89.9	Confident	91.1	Very high	25 Å²	25	38.7 Å²	38.7	21%	0.207	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-41.1	177.7	0	0	0	0	0	112.7	L497 A656 L657 D663 A664	L497-A660 HydrophobicContact CD2-CB 3.99Å; A656-A660 WeakPolarHBondContact O-CB 3.29Å; A656-A660 PolarHBondContact O-N 2.9Å; L657-A660 PolarHBondContact O-N 2.92Å; A660-D663 PolarHBondContact O-N 3.12Å; A660-A664 WeakPolarHBondContact O-CB 3.36Å; A660-A664 PolarHBondContact O-N 3.19Å
661	V	93.5	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.9	-37.7	176.4	169.8	0	0	0	0	111.4	L421 Q424 L425 I428 L657 E659 A664 T665	L421-V661 HydrophobicContact CD1-CG2 4.24Å; Q424-V661 HydrophobicContact CB-CG1 3.6Å; L425-V661 HydrophobicContact CD1-CG2 4.44Å; L425-V661 HydrophobicContact CD2-CG2 4.19Å; L425-V661 HydrophobicContact CG-CG2 3.85Å; I428-V661 HydrophobicContact CD1-CG1 4.23Å; I428-V661 HydrophobicContact CD1-CG2 4.28Å; L657-V661 HydrophobicContact CD1-CG2 4.48Å; L657-V661 WeakPolarHBondContact O-CB 3.42Å; L657-V661 VanDerWaalsContact O-CG2 3.26Å; L657-V661 WeakPolarHBondContact O-CG2 3.33Å; L657-V661 PolarHBondContact O-N 3.13Å; E659-V661 VanDerWaalsContact C-N 3.34Å; E659-V661 PolarHBondContact O-N 2.84Å; V661-A664 WeakPolarHBondContact O-CB 3.29Å; V661-A664 PolarHBondContact O-N 3.14Å; V661-T665 WeakPolarHBondContact O-CB 3.33Å; V661-T665 PolarHBondContact O-N 2.9Å; V661-T665 PolarHBondContact O-OG1 3.21Å
662	R	92.6	Very high	91.5	Very high	156 Å²	156	40.5 Å²	40.5	59%	0.589	22%	0.22	S	C	*	.	H	α-helix	trans	-64.3	-43.4	174.4	-172	-173.6	69.6	167.1	-3.2	111.3	T658 E659 T665 K666	T658-R662 WeakPolarHBondContact O-CB 3.41Å; T658-R662 PolarHBondContact O-N 3.29Å; E659-R662 WeakPolarHBondContact O-CB 3.3Å; E659-R662 PolarHBondContact O-N 3.32Å; R662-T665 PolarHBondContact O-N 2.93Å; R662-K666 WeakPolarHBondContact O-CB 3.42Å; R662-K666 PolarHBondContact O-N 3.2Å
663	D	89.1	Confident	91.9	Very high	45 Å²	45	45.5 Å²	45.5	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-50.2	176.7	-68.3	-12	0	0	0	109.7	E659 A660 T665 K666 F667 Y793	E659-D663 PolarHBondContact O-N 2.84Å; A660-D663 PolarHBondContact O-N 3.12Å; D663-T665 VanDerWaalsContact C-N 3.32Å; D663-T665 PolarHBondContact O-N 2.98Å; D663-K666 WeakPolarHBondContact O-CB 3.43Å; D663-K666 PolarHBondContact O-N 2.91Å; D663-K666 VanDerWaalsContact O-N 3.08Å; D663-F667 PolarHBondContact O-N 3.05Å; D663-Y793 HydrophobicContact CB-CE1 4.36Å; D663-Y793 PolarHBondContact O-OH 3.08Å
664	A	91.9	Very high	91.7	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-44.9	-54.9	172.3	0	0	0	0	0	111.8	I428 L497 A660 V661 K666 F667 Y668 Y793	I428-A664 HydrophobicContact CD1-CB 3.73Å; I428-A664 HydrophobicContact CG1-CB 4.21Å; L497-A664 HydrophobicContact CD1-CB 4.49Å; A660-A664 WeakPolarHBondContact O-CB 3.36Å; A660-A664 PolarHBondContact O-N 3.19Å; V661-A664 WeakPolarHBondContact O-CB 3.29Å; V661-A664 PolarHBondContact O-N 3.14Å; A664-K666 PolarHBondContact O-N 3.43Å; A664-F667 PolarHBondContact O-N 2.88Å; A664-Y668 WeakPolarHBondContact O-CD2 3.5Å; A664-Y668 PolarHBondContact O-N 2.74Å; A664-Y668 VanDerWaalsContact O-N 3.16Å; A664-Y793 WeakPolarHBondContact CA-OH 3.42Å; A664-Y793 PolarHBondContact N-OH 3.25Å; A664-Y793 VanDerWaalsContact N-OH 3.08Å; A664-Y793 PolarHBondContact O-OH 3.19Å
665	T	92.6	Very high	91.6	Very high	52 Å²	52	45.1 Å²	45.1	32%	0.319	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-43.8	-178.5	-53.7	0	0	0	0	111.9	V661 R662 D663 Y668 A669	V661-T665 WeakPolarHBondContact O-CB 3.33Å; V661-T665 PolarHBondContact O-N 2.9Å; V661-T665 PolarHBondContact O-OG1 3.21Å; R662-T665 PolarHBondContact O-N 2.93Å; D663-T665 VanDerWaalsContact C-N 3.32Å; D663-T665 PolarHBondContact O-N 2.98Å; T665-Y668 PolarHBondContact O-N 3.09Å; T665-A669 PolarHBondContact O-N 3.26Å; T665-A669 VanDerWaalsContact O-N 3.12Å
666	K	92.3	Very high	91.8	Very high	125 Å²	125	44.7 Å²	44.7	54%	0.543	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-46.4	-179.8	179.5	-178	167.9	-171.7	0	111.3	R662 D663 A664 Y668 A669 E670	R662-K666 WeakPolarHBondContact O-CB 3.42Å; R662-K666 PolarHBondContact O-N 3.2Å; D663-K666 WeakPolarHBondContact O-CB 3.43Å; D663-K666 PolarHBondContact O-N 2.91Å; D663-K666 VanDerWaalsContact O-N 3.08Å; A664-K666 PolarHBondContact O-N 3.43Å; K666-Y668 PolarHBondContact O-N 3.23Å; K666-A669 WeakPolarHBondContact O-CB 3.37Å; K666-A669 PolarHBondContact O-N 3.06Å; K666-E670 WeakPolarHBondContact CE-OE1 3.45Å; K666-E670 IonicContact NZ-OE1 2.68Å; K666-E670 WeakPolarHBondContact O-CG 3.38Å; K666-E670 PolarHBondContact O-N 3.23Å
667	F	92.3	Very high	91.8	Very high	26 Å²	26	46.2 Å²	46.2	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-45	176.8	165.9	-104.8	0	0	0	112.9	L486 T490 D663 A664 A669 E670 L671 Y793	L486-F667 HydrophobicContact CD1-CZ 4.18Å; L486-F667 HydrophobicContact CD2-CE1 4.38Å; L486-F667 HydrophobicContact CD2-CE2 3.93Å; L486-F667 HydrophobicContact CD2-CZ 3.37Å; L486-F667 HydrophobicContact CG-CZ 3.91Å; T490-F667 HydrophobicContact CG2-CE1 3.99Å; T490-F667 HydrophobicContact CG2-CZ 3.99Å; D663-F667 PolarHBondContact O-N 3.05Å; A664-F667 PolarHBondContact O-N 2.88Å; F667-A669 PolarHBondContact O-N 2.89Å; F667-E670 PolarHBondContact O-N 3.21Å; F667-E670 VanDerWaalsContact O-N 3.15Å; F667-L671 HydrophobicContact CE1-CD2 4.3Å; F667-L671 WeakPolarHBondContact O-CB 3.31Å; F667-L671 PolarHBondContact O-N 3.43Å; F667-Y793 HydrophobicContact CB-CE2 3.5Å; F667-Y793 VanDerWaalsContact CB-CE2 3.5Å; F667-Y793 WeakPolarHBondContact CB-OH 3.27Å; F667-Y793 AromaticContact CD1-CE2 3.55Å; F667-Y793 HydrophobicContact CD1-CE2 3.55Å; F667-Y793 HydrophobicContact CD2-CD2 4.22Å; F667-Y793 AromaticContact CD2-CE2 3.52Å; F667-Y793 HydrophobicContact CD2-CE2 3.52Å; F667-Y793 AromaticContact CE1-CE2 3.93Å; F667-Y793 HydrophobicContact CE1-CE2 3.93Å; F667-Y793 HydrophobicContact CE2-CD2 4.23Å; F667-Y793 AromaticContact CE2-CE2 3.9Å; F667-Y793 HydrophobicContact CE2-CE2 3.9Å; F667-Y793 HydrophobicContact CG-CD2 4.36Å; F667-Y793 AromaticContact CG-CE2 3.3Å; F667-Y793 HydrophobicContact CG-CE2 3.3Å; F667-Y793 AromaticContact CG-CZ 3.93Å; F667-Y793 HydrophobicContact CZ-CD2 4.37Å; F667-Y793 HydrophobicContact CZ-CE2 4.05Å
668	Y	94.9	Very high	91.6	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-30.3	-178.4	-75.2	-56.7	0	0	0	112	I428 C431 V432 N435 L487 T490 D494 A664 T665 K666 L671 T672	I428-Y668 HydrophobicContact CG2-CD2 4.38Å; I428-Y668 HydrophobicContact CG2-CE2 3.88Å; C431-Y668 HydrophobicContact CB-CD2 4.14Å; C431-Y668 HydrophobicContact CB-CG 4Å; V432-Y668 HydrophobicContact CG2-CD1 4.45Å; V432-Y668 HydrophobicContact CG2-CD2 4.47Å; V432-Y668 HydrophobicContact CG2-CE1 3.78Å; V432-Y668 HydrophobicContact CG2-CE2 3.78Å; V432-Y668 VanDerWaalsContact CG2-CZ 3.4Å; V432-Y668 WeakPolarHBondContact CG2-OH 3.19Å; N435-Y668 PolarHBondContact ND2-O 2.88Å; N435-Y668 VanDerWaalsContact ND2-O 3.14Å; L487-Y668 HydrophobicContact CD2-CD1 4.32Å; L487-Y668 HydrophobicContact CD2-CE1 3.67Å; T490-Y668 WeakPolarHBondContact CB-OH 3.3Å; T490-Y668 PolarHBondContact OG1-OH 3.34Å; D494-Y668 VanDerWaalsContact OD2-CE2 3.26Å; D494-Y668 WeakPolarHBondContact OD2-CE2 3.44Å; D494-Y668 PolarHBondContact OD2-OH 2.93Å; A664-Y668 WeakPolarHBondContact O-CD2 3.5Å; A664-Y668 PolarHBondContact O-N 2.74Å; A664-Y668 VanDerWaalsContact O-N 3.16Å; T665-Y668 PolarHBondContact O-N 3.09Å; K666-Y668 PolarHBondContact O-N 3.23Å; Y668-L671 HydrophobicContact CD1-CD2 4.32Å; Y668-T672 WeakPolarHBondContact O-CB 3.26Å; Y668-T672 PolarHBondContact O-N 2.87Å; Y668-T672 PolarHBondContact O-OG1 3.35Å
669	A	94	Very high	91.6	Very high	61 Å²	61	47.7 Å²	47.7	50%	0.504	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-44.8	170.5	0	0	0	0	0	112.1	T665 K666 F667 T672 E673	T665-A669 PolarHBondContact O-N 3.26Å; T665-A669 VanDerWaalsContact O-N 3.12Å; K666-A669 WeakPolarHBondContact O-CB 3.37Å; K666-A669 PolarHBondContact O-N 3.06Å; F667-A669 PolarHBondContact O-N 2.89Å; A669-T672 WeakPolarHBondContact O-CB 3.38Å; A669-T672 PolarHBondContact O-N 3.09Å; A669-E673 PolarHBondContact O-N 3.35Å; A669-E673 VanDerWaalsContact O-N 3.1Å
670	E	92.3	Very high	91.7	Very high	60 Å²	60	47.9 Å²	47.9	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-41.9	175.9	-70.7	175.7	175	0	0	111.8	K666 F667 T672 E673 I674 F789	K666-E670 WeakPolarHBondContact CE-OE1 3.45Å; K666-E670 IonicContact NZ-OE1 2.68Å; K666-E670 WeakPolarHBondContact O-CG 3.38Å; K666-E670 PolarHBondContact O-N 3.23Å; F667-E670 PolarHBondContact O-N 3.21Å; F667-E670 VanDerWaalsContact O-N 3.15Å; E670-T672 VanDerWaalsContact C-N 3.32Å; E670-T672 PolarHBondContact O-N 3.24Å; E670-E673 WeakPolarHBondContact O-CB 3.46Å; E670-E673 PolarHBondContact O-N 3.01Å; E670-I674 WeakPolarHBondContact O-CG1 3.39Å; E670-I674 PolarHBondContact O-N 2.65Å; E670-I674 VanDerWaalsContact O-N 3.1Å; E670-F789 HydrophobicContact CB-CE1 4.48Å; E670-F789 VanDerWaalsContact OE2-CE1 3.29Å; E670-F789 WeakPolarHBondContact OE2-CE1 3.29Å; E670-F789 WeakPolarHBondContact OE2-CZ 3.36Å
671	L	91.9	Very high	91.7	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-40.5	174.8	-176.8	62	0	0	0	111.1	N435 L486 L487 F667 Y668 E673 I674 C675	N435-L671 HydrophobicContact CB-CD2 4.29Å; L486-L671 HydrophobicContact CD2-CD1 4.31Å; L486-L671 HydrophobicContact CD2-CD2 4.33Å; L487-L671 HydrophobicContact CD2-CD2 3.92Å; L487-L671 HydrophobicContact CG-CD2 4.08Å; F667-L671 HydrophobicContact CE1-CD2 4.3Å; F667-L671 WeakPolarHBondContact O-CB 3.31Å; F667-L671 PolarHBondContact O-N 3.43Å; Y668-L671 HydrophobicContact CD1-CD2 4.32Å; L671-E673 VanDerWaalsContact C-N 3.31Å; L671-E673 PolarHBondContact O-N 2.9Å; L671-I674 PolarHBondContact O-N 3.06Å; L671-C675 WeakPolarHBondContact O-CB 3.47Å; L671-C675 PolarHBondContact O-N 2.93Å; L671-C675 PolarHBondContact O-SG 2.88Å; L671-C675 VanDerWaalsContact O-SG 3.36Å
672	T	94.6	Very high	91.7	Very high	32 Å²	32	50 Å²	50	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-43	175.2	-68.6	0	0	0	0	111.1	N435 I438 Y668 A669 E670 I674 C675 V676	N435-T672 VanDerWaalsContact CG-OG1 3.27Å; N435-T672 PolarHBondContact ND2-OG1 3.4Å; N435-T672 WeakPolarHBondContact OD1-CA 3.39Å; N435-T672 WeakPolarHBondContact OD1-CB 3.19Å; N435-T672 PolarHBondContact OD1-N 2.98Å; N435-T672 PolarHBondContact OD1-OG1 3.28Å; I438-T672 HydrophobicContact CD1-CG2 4.08Å; Y668-T672 WeakPolarHBondContact O-CB 3.26Å; Y668-T672 PolarHBondContact O-N 2.87Å; Y668-T672 PolarHBondContact O-OG1 3.35Å; A669-T672 WeakPolarHBondContact O-CB 3.38Å; A669-T672 PolarHBondContact O-N 3.09Å; E670-T672 VanDerWaalsContact C-N 3.32Å; E670-T672 PolarHBondContact O-N 3.24Å; T672-I674 VanDerWaalsContact C-N 3.32Å; T672-I674 PolarHBondContact O-N 3.35Å; T672-C675 PolarHBondContact O-N 2.92Å; T672-V676 HydrophobicContact CG2-CG2 4.17Å; T672-V676 WeakPolarHBondContact O-CB 3.33Å; T672-V676 VanDerWaalsContact O-CG2 3.26Å; T672-V676 WeakPolarHBondContact O-CG2 2.85Å; T672-V676 PolarHBondContact O-N 3.11Å
673	E	92.4	Very high	91.8	Very high	131 Å²	131	46.7 Å²	46.7	61%	0.612	25%	0.247	S	C	*	.	H	α-helix	trans	-61.9	-40.6	176.6	-169.9	-179.8	176.4	0	0	112	A669 E670 L671 N677	A669-E673 PolarHBondContact O-N 3.35Å; A669-E673 VanDerWaalsContact O-N 3.1Å; E670-E673 WeakPolarHBondContact O-CB 3.46Å; E670-E673 PolarHBondContact O-N 3.01Å; L671-E673 VanDerWaalsContact C-N 3.31Å; L671-E673 PolarHBondContact O-N 2.9Å; E673-N677 WeakPolarHBondContact O-CB 3.27Å; E673-N677 PolarHBondContact O-N 3.23Å; E673-N677 PolarHBondContact O-ND2 3.48Å
674	I	87.1	Confident	91.7	Very high	33 Å²	33	50.1 Å²	50.1	17%	0.169	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-46.8	177.2	-65.5	167.5	0	0	0	111.2	E670 L671 T672 N677 T678 F789	E670-I674 WeakPolarHBondContact O-CG1 3.39Å; E670-I674 PolarHBondContact O-N 2.65Å; E670-I674 VanDerWaalsContact O-N 3.1Å; L671-I674 PolarHBondContact O-N 3.06Å; T672-I674 VanDerWaalsContact C-N 3.32Å; T672-I674 PolarHBondContact O-N 3.35Å; I674-N677 PolarHBondContact O-N 2.93Å; I674-T678 WeakPolarHBondContact O-CB 3.43Å; I674-T678 PolarHBondContact O-N 3.19Å; I674-T678 PolarHBondContact O-OG1 3.45Å; I674-F789 HydrophobicContact CD1-CB 4.12Å; I674-F789 HydrophobicContact CD1-CD1 4.02Å; I674-F789 HydrophobicContact CD1-CG 4.32Å
675	C	91.2	Very high	91.8	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-51.8	178	-70.1	0	0	0	0	110.5	I438 I439 L671 T672 N677 T678 Q679	I438-C675 HydrophobicContact CB-CB 4.33Å; I438-C675 HydrophobicContact CG2-CB 3.68Å; I439-C675 HydrophobicContact CG1-CB 4.49Å; I439-C675 VanDerWaalsContact CG1-SG 3.6Å; L671-C675 WeakPolarHBondContact O-CB 3.47Å; L671-C675 PolarHBondContact O-N 2.93Å; L671-C675 PolarHBondContact O-SG 2.88Å; L671-C675 VanDerWaalsContact O-SG 3.36Å; T672-C675 PolarHBondContact O-N 2.92Å; C675-N677 VanDerWaalsContact C-N 3.29Å; C675-N677 PolarHBondContact O-N 3.4Å; C675-T678 CarbonylContact O-C 3.55Å; C675-T678 WeakPolarHBondContact O-CA 3.45Å; C675-T678 WeakPolarHBondContact O-CB 3.4Å; C675-T678 PolarHBondContact O-N 3.3Å; C675-Q679 WeakPolarHBondContact O-CB 3.48Å; C675-Q679 PolarHBondContact O-N 3.39Å
676	V	93.1	Very high	91.8	Very high	58 Å²	58	50 Å²	50	35%	0.352	26%	0.262	S	S	.	.	H	α-helix	trans	-56.3	-42.6	178.2	171.8	0	0	0	0	112.1	I438 T672 T678 Q679 C680	I438-V676 HydrophobicContact CD1-CG2 4.02Å; T672-V676 HydrophobicContact CG2-CG2 4.17Å; T672-V676 WeakPolarHBondContact O-CB 3.33Å; T672-V676 VanDerWaalsContact O-CG2 3.26Å; T672-V676 WeakPolarHBondContact O-CG2 2.85Å; T672-V676 PolarHBondContact O-N 3.11Å; V676-T678 VanDerWaalsContact C-N 3.3Å; V676-T678 PolarHBondContact O-N 2.98Å; V676-Q679 WeakPolarHBondContact O-CB 3.36Å; V676-Q679 PolarHBondContact O-N 3.5Å; V676-C680 PolarHBondContact O-N 2.86Å; V676-C680 PolarHBondContact O-SG 2.99Å; V676-C680 VanDerWaalsContact O-SG 3.34Å
677	N	87.5	Confident	91.9	Very high	71 Å²	71	46.7 Å²	46.7	38%	0.38	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-33.2	175.7	-80.6	-41.4	0	0	0	113.3	E673 I674 C675 K681	E673-N677 WeakPolarHBondContact O-CB 3.27Å; E673-N677 PolarHBondContact O-N 3.23Å; E673-N677 PolarHBondContact O-ND2 3.48Å; I674-N677 PolarHBondContact O-N 2.93Å; C675-N677 VanDerWaalsContact C-N 3.29Å; C675-N677 PolarHBondContact O-N 3.4Å; N677-K681 WeakPolarHBondContact O-CG 3.35Å; N677-K681 PolarHBondContact O-N 3.37Å
678	T	88.1	Confident	91.8	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-73.7	-43.7	176.7	-58.4	0	0	0	0	110.5	I674 C675 V676 C680 K681 I682	I674-T678 WeakPolarHBondContact O-CB 3.43Å; I674-T678 PolarHBondContact O-N 3.19Å; I674-T678 PolarHBondContact O-OG1 3.45Å; C675-T678 CarbonylContact O-C 3.55Å; C675-T678 WeakPolarHBondContact O-CA 3.45Å; C675-T678 WeakPolarHBondContact O-CB 3.4Å; C675-T678 PolarHBondContact O-N 3.3Å; V676-T678 VanDerWaalsContact C-N 3.3Å; V676-T678 PolarHBondContact O-N 2.98Å; T678-C680 PolarHBondContact O-N 3.44Å; T678-K681 WeakPolarHBondContact O-CB 3.43Å; T678-K681 PolarHBondContact O-N 3.2Å; T678-K681 VanDerWaalsContact O-N 3.12Å; T678-I682 HydrophobicContact CG2-CD1 3.96Å; T678-I682 WeakPolarHBondContact O-CG1 3.44Å; T678-I682 PolarHBondContact O-N 3.34Å
679	Q	94.1	Very high	91.6	Very high	43 Å²	43	48.8 Å²	48.8	20%	0.201	28%	0.279	C	S	.	.	H	α-helix	trans	-52.5	-51.3	171.9	-174.5	-176.8	7.1	0	0	112	I438 E442 C675 V676 K681 I682 E683	I438-Q679 HydrophobicContact CG2-CB 4.36Å; E442-Q679 HydrophobicContact CG-CB 3.8Å; E442-Q679 HydrophobicContact CG-CG 4.18Å; E442-Q679 PolarHBondContact OE1-N 2.6Å; C675-Q679 WeakPolarHBondContact O-CB 3.48Å; C675-Q679 PolarHBondContact O-N 3.39Å; V676-Q679 WeakPolarHBondContact O-CB 3.36Å; V676-Q679 PolarHBondContact O-N 3.5Å; Q679-K681 VanDerWaalsContact C-N 3.25Å; Q679-K681 PolarHBondContact O-N 2.63Å; Q679-I682 PolarHBondContact O-N 3.15Å; Q679-I682 VanDerWaalsContact O-N 3.08Å; Q679-E683 HydrophobicContact CG-CG 4.37Å; Q679-E683 WeakPolarHBondContact CG-OE1 3.46Å; Q679-E683 PolarHBondContact NE2-OE1 3.04Å; Q679-E683 WeakPolarHBondContact O-CG 3.45Å; Q679-E683 PolarHBondContact O-N 3.1Å
680	C	91.6	Very high	91.6	Very high	60 Å²	60	48.6 Å²	48.6	41%	0.405	27%	0.272	S	S	.	.	H	α-helix	trans	-56.1	-40.6	177.9	-67.5	0	0	0	0	112.4	V676 T678 E683 D684	V676-C680 PolarHBondContact O-N 2.86Å; V676-C680 PolarHBondContact O-SG 2.99Å; V676-C680 VanDerWaalsContact O-SG 3.34Å; T678-C680 PolarHBondContact O-N 3.44Å; C680-E683 PolarHBondContact O-N 3.38Å; C680-D684 WeakPolarHBondContact O-CB 3.38Å; C680-D684 PolarHBondContact O-N 3.49Å
681	K	88.3	Confident	91.5	Very high	67 Å²	67	49.4 Å²	49.4	29%	0.291	28%	0.281	S	S	.	.	H	α-helix	trans	-68	-37.8	178.3	-67.5	169.3	-174.5	173.2	0	112.6	W476 N677 T678 Q679 F685 M786 Y787	W476-K681 HydrophobicContact CZ2-CB 4.29Å; N677-K681 WeakPolarHBondContact O-CG 3.35Å; N677-K681 PolarHBondContact O-N 3.37Å; T678-K681 WeakPolarHBondContact O-CB 3.43Å; T678-K681 PolarHBondContact O-N 3.2Å; T678-K681 VanDerWaalsContact O-N 3.12Å; Q679-K681 VanDerWaalsContact C-N 3.25Å; Q679-K681 PolarHBondContact O-N 2.63Å; K681-F685 WeakPolarHBondContact O-CB 3.35Å; K681-F685 PolarHBondContact O-N 2.95Å; K681-M786 HydrophobicContact CD-CE 4.49Å; K681-Y787 PolarHBondContact NZ-OH 3.42Å
682	I	93.8	Very high	91.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-43.2	176.7	-72.1	170.4	0	0	0	110	E442 L446 W476 I480 T678 Q679 F685 C686	E442-I682 HydrophobicContact CB-CD1 3.79Å; E442-I682 HydrophobicContact CG-CD1 3.96Å; L446-I682 HydrophobicContact CD1-CD1 4.12Å; L446-I682 HydrophobicContact CD2-CG1 4.36Å; L446-I682 HydrophobicContact CD2-CG2 3.68Å; L446-I682 HydrophobicContact CG-CD1 4.38Å; L446-I682 HydrophobicContact CG-CG2 3.83Å; W476-I682 HydrophobicContact CB-CD1 4.17Å; W476-I682 HydrophobicContact CB-CG1 4.34Å; W476-I682 HydrophobicContact CD2-CG1 3.98Å; W476-I682 HydrophobicContact CE3-CG1 4.39Å; W476-I682 HydrophobicContact CG-CD1 4.22Å; W476-I682 HydrophobicContact CG-CG1 3.96Å; I480-I682 HydrophobicContact CD1-CD1 4.12Å; T678-I682 HydrophobicContact CG2-CD1 3.96Å; T678-I682 WeakPolarHBondContact O-CG1 3.44Å; T678-I682 PolarHBondContact O-N 3.34Å; Q679-I682 PolarHBondContact O-N 3.15Å; Q679-I682 VanDerWaalsContact O-N 3.08Å; I682-F685 WeakPolarHBondContact O-CB 3.11Å; I682-F685 PolarHBondContact O-N 3.32Å; I682-C686 PolarHBondContact O-N 2.86Å; I682-C686 PolarHBondContact O-SG 2.9Å; I682-C686 VanDerWaalsContact O-SG 3.36Å
683	E	93.9	Very high	91.2	Very high	88 Å²	88	52.9 Å²	52.9	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-45.9	176.5	-72.3	175.6	-177.6	0	0	111.5	Q679 C680 F685 C686 A687	Q679-E683 HydrophobicContact CG-CG 4.37Å; Q679-E683 WeakPolarHBondContact CG-OE1 3.46Å; Q679-E683 PolarHBondContact NE2-OE1 3.04Å; Q679-E683 WeakPolarHBondContact O-CG 3.45Å; Q679-E683 PolarHBondContact O-N 3.1Å; C680-E683 PolarHBondContact O-N 3.38Å; E683-F685 VanDerWaalsContact C-N 3.33Å; E683-F685 PolarHBondContact O-N 3.39Å; E683-C686 PolarHBondContact O-N 3.26Å; E683-A687 WeakPolarHBondContact O-CB 3.43Å; E683-A687 PolarHBondContact O-N 3.09Å
684	D	88.4	Confident	91.3	Very high	117 Å²	117	50.5 Å²	50.5	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-58.6	-43.6	174.1	-77.6	-19.1	0	0	0	112	C680 A687 A688	C680-D684 WeakPolarHBondContact O-CB 3.38Å; C680-D684 PolarHBondContact O-N 3.49Å; D684-A687 PolarHBondContact O-N 3.49Å; D684-A688 WeakPolarHBondContact O-CB 3.39Å; D684-A688 PolarHBondContact O-N 3Å
685	F	93	Very high	91.4	Very high	30 Å²	30	54.8 Å²	54.8	13%	0.132	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-49.8	175.2	166.9	-97.8	0	0	0	111.5	L446 L472 N473 W476 K681 I682 E683 A687 A688 R689	L446-F685 HydrophobicContact CD2-CD1 4.2Å; L446-F685 HydrophobicContact CD2-CE1 4.28Å; L472-F685 HydrophobicContact CB-CE2 3.94Å; L472-F685 HydrophobicContact CB-CZ 4.03Å; L472-F685 HydrophobicContact CD1-CE2 4.24Å; N473-F685 HydrophobicContact CB-CE1 4.42Å; W476-F685 HydrophobicContact CH2-CB 3.64Å; W476-F685 AromaticContact CH2-CD2 3.97Å; W476-F685 HydrophobicContact CH2-CD2 3.97Å; W476-F685 AromaticContact CH2-CG 3.83Å; W476-F685 HydrophobicContact CH2-CG 3.83Å; W476-F685 HydrophobicContact CZ3-CB 3.72Å; W476-F685 AromaticContact CZ3-CD1 3.84Å; W476-F685 HydrophobicContact CZ3-CD1 3.84Å; W476-F685 AromaticContact CZ3-CD2 3.65Å; W476-F685 HydrophobicContact CZ3-CD2 3.65Å; W476-F685 HydrophobicContact CZ3-CE1 4.38Å; W476-F685 HydrophobicContact CZ3-CE2 4.2Å; W476-F685 AromaticContact CZ3-CG 3.44Å; W476-F685 HydrophobicContact CZ3-CG 3.44Å; W476-F685 VanDerWaalsContact CZ3-CG 3.44Å; K681-F685 WeakPolarHBondContact O-CB 3.35Å; K681-F685 PolarHBondContact O-N 2.95Å; I682-F685 WeakPolarHBondContact O-CB 3.11Å; I682-F685 PolarHBondContact O-N 3.32Å; E683-F685 VanDerWaalsContact C-N 3.33Å; E683-F685 PolarHBondContact O-N 3.39Å; F685-A687 VanDerWaalsContact C-N 3.3Å; F685-A687 PolarHBondContact O-N 3.38Å; F685-A688 PolarHBondContact O-N 3.4Å; F685-R689 HydrophobicContact CD1-CG 4.32Å; F685-R689 HydrophobicContact CD2-CG 4.11Å; F685-R689 HydrophobicContact CE1-CG 3.93Å; F685-R689 HydrophobicContact CE2-CG 3.71Å; F685-R689 HydrophobicContact CG-CG 4.41Å; F685-R689 HydrophobicContact CZ-CG 3.61Å; F685-R689 WeakPolarHBondContact O-CB 3.43Å; F685-R689 VanDerWaalsContact O-CG 3.25Å; F685-R689 WeakPolarHBondContact O-CG 3.5Å; F685-R689 PolarHBondContact O-N 3.15Å
686	C	94.1	Very high	91.3	Very high	19 Å²	19	56.2 Å²	56.2	13%	0.128	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-36.3	179.8	-70.9	0	0	0	0	112	S445 I682 E683 R689 T690	S445-C686 PolarHBondContact O-SG 2.96Å; I682-C686 PolarHBondContact O-N 2.86Å; I682-C686 PolarHBondContact O-SG 2.9Å; I682-C686 VanDerWaalsContact O-SG 3.36Å; E683-C686 PolarHBondContact O-N 3.26Å; C686-R689 PolarHBondContact O-N 3.01Å; C686-T690 WeakPolarHBondContact O-CB 3.3Å; C686-T690 PolarHBondContact O-N 3.18Å; C686-T690 PolarHBondContact O-OG1 3.41Å
687	A	93.2	Very high	91.1	Very high	56 Å²	56	56.1 Å²	56.1	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-46	174.8	0	0	0	0	0	112.1	E683 D684 F685 R689 T690 T691	E683-A687 WeakPolarHBondContact O-CB 3.43Å; E683-A687 PolarHBondContact O-N 3.09Å; D684-A687 PolarHBondContact O-N 3.49Å; F685-A687 VanDerWaalsContact C-N 3.3Å; F685-A687 PolarHBondContact O-N 3.38Å; A687-R689 PolarHBondContact O-N 3.48Å; A687-T690 PolarHBondContact O-N 3.45Å; A687-T691 PolarHBondContact O-N 3.05Å; A687-T691 PolarHBondContact O-OG1 2.9Å
688	A	89.8	Confident	91.2	Very high	61 Å²	61	56 Å²	56	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-44.7	175.4	0	0	0	0	0	111.4	D684 F685 T690 T691 E692	D684-A688 WeakPolarHBondContact O-CB 3.39Å; D684-A688 PolarHBondContact O-N 3Å; F685-A688 PolarHBondContact O-N 3.4Å; A688-T690 VanDerWaalsContact C-N 3.31Å; A688-T690 PolarHBondContact O-N 3.01Å; A688-T691 WeakPolarHBondContact O-CB 3.43Å; A688-T691 PolarHBondContact O-N 3.19Å; A688-E692 PolarHBondContact O-N 3.36Å
689	R	91.9	Very high	91.1	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.038	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-35	176.1	-70.8	-66	-68.9	-176.8	-19.7	113	E449 D453 R466 K467 S469 F685 C686 A687 E692 K693	E449-R689 HydrophobicContact CG-CB 3.76Å; E449-R689 HydrophobicContact CG-CG 4.24Å; E449-R689 WeakPolarHBondContact OE1-CB 3.49Å; E449-R689 IonicContact OE1-CZ 2.81Å; E449-R689 IonicContact OE1-NE 2.7Å; E449-R689 PolarHBondContact OE1-NE 3.41Å; E449-R689 IonicContact OE1-NH2 2.82Å; D453-R689 IonicContact OD1-NH2 2.84Å; D453-R689 IonicContact OD2-NH2 2.87Å; R466-R689 PolarHBondContact NH1-O 3.29Å; K467-R689 PolarHBondContact O-NH1 3.1Å; K467-R689 PolarHBondContact O-NH2 2.97Å; S469-R689 PolarHBondContact OG-NH2 3.25Å; F685-R689 HydrophobicContact CD1-CG 4.32Å; F685-R689 HydrophobicContact CD2-CG 4.11Å; F685-R689 HydrophobicContact CE1-CG 3.93Å; F685-R689 HydrophobicContact CE2-CG 3.71Å; F685-R689 HydrophobicContact CG-CG 4.41Å; F685-R689 HydrophobicContact CZ-CG 3.61Å; F685-R689 WeakPolarHBondContact O-CB 3.43Å; F685-R689 VanDerWaalsContact O-CG 3.25Å; F685-R689 WeakPolarHBondContact O-CG 3.5Å; F685-R689 PolarHBondContact O-N 3.15Å; C686-R689 PolarHBondContact O-N 3.01Å; A687-R689 PolarHBondContact O-N 3.48Å; R689-E692 IonicContact CZ-OE2 3.87Å; R689-E692 IonicContact NE-OE2 3.32Å; R689-E692 IonicContact NH1-OE1 2.71Å; R689-E692 IonicContact NH1-OE2 3.71Å; R689-E692 PolarHBondContact NH1-OE2 3.06Å; R689-K693 WeakPolarHBondContact O-CB 3.4Å; R689-K693 PolarHBondContact O-N 2.86Å
690	T	93.3	Very high	90.7	Very high	58 Å²	58	58.2 Å²	58.2	36%	0.356	33%	0.325	S	S	.	.	H	α-helix	trans	-68.3	-38.3	175.3	-63.4	0	0	0	0	111.3	C686 A687 A688 K693 N694	C686-T690 WeakPolarHBondContact O-CB 3.3Å; C686-T690 PolarHBondContact O-N 3.18Å; C686-T690 PolarHBondContact O-OG1 3.41Å; A687-T690 PolarHBondContact O-N 3.45Å; A688-T690 VanDerWaalsContact C-N 3.31Å; A688-T690 PolarHBondContact O-N 3.01Å; T690-K693 WeakPolarHBondContact O-CB 3.41Å; T690-K693 PolarHBondContact O-N 3.07Å; T690-N694 PolarHBondContact O-N 3.39Å; T690-N694 VanDerWaalsContact O-N 3.08Å; T690-N694 PolarHBondContact O-ND2 3.09Å
691	T	90.5	Very high	90.5	Very high	77 Å²	77	57.9 Å²	57.9	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-51.3	175.3	-54.2	0	0	0	0	110.8	A687 A688 K693 N694 E695	A687-T691 PolarHBondContact O-N 3.05Å; A687-T691 PolarHBondContact O-OG1 2.9Å; A688-T691 WeakPolarHBondContact O-CB 3.43Å; A688-T691 PolarHBondContact O-N 3.19Å; T691-K693 VanDerWaalsContact C-N 3.28Å; T691-K693 PolarHBondContact O-N 3.12Å; T691-N694 PolarHBondContact O-N 3.33Å; T691-N694 VanDerWaalsContact O-N 3.09Å; T691-E695 PolarHBondContact O-N 3.45Å
692	E	88.6	Confident	90.3	Very high	64 Å²	64	57.6 Å²	57.6	30%	0.299	33%	0.331	S	S	.	.	H	α-helix	trans	-56.4	-42.7	175.7	-173.6	-168.2	-171.7	0	0	111.5	R466 A688 R689 N694 E695 L696	R466-E692 WeakPolarHBondContact CB-OE1 3.48Å; R466-E692 IonicContact NH1-OE2 2.98Å; A688-E692 PolarHBondContact O-N 3.36Å; R689-E692 IonicContact CZ-OE2 3.87Å; R689-E692 IonicContact NE-OE2 3.32Å; R689-E692 IonicContact NH1-OE1 2.71Å; R689-E692 IonicContact NH1-OE2 3.71Å; R689-E692 PolarHBondContact NH1-OE2 3.06Å; E692-N694 VanDerWaalsContact C-N 3.34Å; E692-N694 PolarHBondContact O-N 3.48Å; E692-E695 PolarHBondContact O-N 3.29Å; E692-L696 WeakPolarHBondContact O-CB 3.47Å; E692-L696 PolarHBondContact O-N 3.45Å
693	K	92.3	Very high	89.5	Confident	47 Å²	47	61.4 Å²	61.4	20%	0.204	35%	0.352	C	S	.	.	H	α-helix	trans	-56.5	-47.3	176.3	-175.2	-171	90.9	176.1	0	111.5	L456 W464 R689 T690 T691 L696 M697	L456-K693 HydrophobicContact CD1-CD 3.54Å; L456-K693 HydrophobicContact CD1-CG 3.47Å; L456-K693 VanDerWaalsContact CD1-CG 3.47Å; W464-K693 HydrophobicContact CH2-CB 4.17Å; W464-K693 HydrophobicContact CH2-CG 3.62Å; W464-K693 HydrophobicContact CZ2-CB 4.38Å; W464-K693 HydrophobicContact CZ2-CG 3.91Å; R689-K693 WeakPolarHBondContact O-CB 3.4Å; R689-K693 PolarHBondContact O-N 2.86Å; T690-K693 WeakPolarHBondContact O-CB 3.41Å; T690-K693 PolarHBondContact O-N 3.07Å; T691-K693 VanDerWaalsContact C-N 3.28Å; T691-K693 PolarHBondContact O-N 3.12Å; K693-L696 PolarHBondContact O-N 3.32Å; K693-M697 HydrophobicContact CG-CE 4.48Å; K693-M697 WeakPolarHBondContact O-CB 3.33Å; K693-M697 WeakPolarHBondContact O-CG 3.43Å; K693-M697 PolarHBondContact O-N 3.15Å
694	N	92.6	Very high	88.8	Confident	81 Å²	81	60 Å²	60	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-67.9	-40.2	-177.2	-67	-21	0	0	0	111.6	T690 T691 E692 S698	T690-N694 PolarHBondContact O-N 3.39Å; T690-N694 VanDerWaalsContact O-N 3.08Å; T690-N694 PolarHBondContact O-ND2 3.09Å; T691-N694 PolarHBondContact O-N 3.33Å; T691-N694 VanDerWaalsContact O-N 3.09Å; E692-N694 VanDerWaalsContact C-N 3.34Å; E692-N694 PolarHBondContact O-N 3.48Å; N694-S698 WeakPolarHBondContact O-CB 3.41Å; N694-S698 PolarHBondContact O-N 3.01Å
695	E	89.9	Confident	87.9	Confident	123 Å²	123	57.8 Å²	57.8	58%	0.575	34%	0.34	S	S	*	.	H	α-helix	trans	-62.4	-49.7	174.3	-69.6	177.4	174.3	0	0	111.4	T691 E692 M697 S698 D699	T691-E695 PolarHBondContact O-N 3.45Å; E692-E695 PolarHBondContact O-N 3.29Å; E695-M697 VanDerWaalsContact C-N 3.32Å; E695-M697 PolarHBondContact O-N 2.86Å; E695-S698 WeakPolarHBondContact O-CB 3.42Å; E695-S698 PolarHBondContact O-N 3.41Å; E695-S698 VanDerWaalsContact O-N 3.1Å; E695-D699 PolarHBondContact O-N 3Å
696	L	88.9	Confident	86.6	Confident	31 Å²	31	65 Å²	65	16%	0.162	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-41	179.5	-134.8	93.6	0	0	0	111.6	W464 E692 K693 S698 D699 I700	W464-L696 HydrophobicContact CD2-CD2 3.86Å; W464-L696 HydrophobicContact CE3-CB 4.47Å; W464-L696 HydrophobicContact CE3-CD2 3.53Å; W464-L696 HydrophobicContact CG-CD2 4.45Å; W464-L696 HydrophobicContact CH2-CB 4.08Å; W464-L696 HydrophobicContact CH2-CD2 4.29Å; W464-L696 HydrophobicContact CZ3-CB 3.83Å; W464-L696 HydrophobicContact CZ3-CD2 3.76Å; W464-L696 HydrophobicContact CZ3-CG 4.4Å; E692-L696 WeakPolarHBondContact O-CB 3.47Å; E692-L696 PolarHBondContact O-N 3.45Å; K693-L696 PolarHBondContact O-N 3.32Å; L696-S698 VanDerWaalsContact C-N 3.34Å; L696-S698 PolarHBondContact O-N 2.93Å; L696-D699 PolarHBondContact O-N 3.25Å; L696-I700 HydrophobicContact CD2-CD1 4.35Å; L696-I700 WeakPolarHBondContact O-CB 3.49Å; L696-I700 WeakPolarHBondContact O-CG1 3.19Å; L696-I700 PolarHBondContact O-N 3.45Å
697	M	90	Very high	84.9	Confident	56 Å²	56	68 Å²	68	28%	0.276	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-39.9	175.4	-76.3	-161.7	-54.9	0	0	112.2	L456 W464 K693 E695 I700 A701	L456-M697 HydrophobicContact CD2-SD 3.89Å; W464-M697 HydrophobicContact CH2-CG 4.08Å; W464-M697 HydrophobicContact CZ3-CG 3.77Å; K693-M697 HydrophobicContact CG-CE 4.48Å; K693-M697 WeakPolarHBondContact O-CB 3.33Å; K693-M697 WeakPolarHBondContact O-CG 3.43Å; K693-M697 PolarHBondContact O-N 3.15Å; E695-M697 VanDerWaalsContact C-N 3.32Å; E695-M697 PolarHBondContact O-N 2.86Å; M697-I700 PolarHBondContact O-N 3.29Å; M697-A701 VanDerWaalsContact O-CB 3.29Å; M697-A701 WeakPolarHBondContact O-CB 3.41Å; M697-A701 PolarHBondContact O-N 2.95Å
698	S	89.6	Confident	83	Confident	69 Å²	69	74.1 Å²	74.1	48%	0.483	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-43	174.9	180	0	0	0	0	111.8	N694 E695 L696 A701 T702	N694-S698 WeakPolarHBondContact O-CB 3.41Å; N694-S698 PolarHBondContact O-N 3.01Å; E695-S698 WeakPolarHBondContact O-CB 3.42Å; E695-S698 PolarHBondContact O-N 3.41Å; E695-S698 VanDerWaalsContact O-N 3.1Å; L696-S698 VanDerWaalsContact C-N 3.34Å; L696-S698 PolarHBondContact O-N 2.93Å; S698-A701 PolarHBondContact O-N 3.29Å; S698-T702 PolarHBondContact O-N 3.44Å; S698-T702 PolarHBondContact O-OG1 3.49Å
699	D	85.9	Confident	81	Confident	97 Å²	97	76.1 Å²	76.1	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-67.1	-39.3	177.5	-80.6	-3.8	0	0	0	112.6	E695 L696 T702 N703	E695-D699 PolarHBondContact O-N 3Å; L696-D699 PolarHBondContact O-N 3.25Å; D699-T702 WeakPolarHBondContact CA-OG1 3.37Å; D699-T702 PolarHBondContact O-OG1 3.28Å; D699-T702 VanDerWaalsContact O-OG1 3.04Å; D699-N703 VanDerWaalsContact O-CB 3.32Å; D699-N703 WeakPolarHBondContact O-CB 3.4Å; D699-N703 PolarHBondContact O-N 3.41Å; D699-N703 PolarHBondContact O-ND2 2.9Å; D699-N703 VanDerWaalsContact O-ND2 3.09Å
700	I	85.9	Confident	78.8	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.051	43%	0.429	C	S	.	.	H	α-helix	trans	-65.8	-45	174.3	-67.7	170.2	0	0	0	110	Y460 R463 W464 L696 M697 N703 I704	Y460-I700 HydrophobicContact CD1-CD1 4.3Å; Y460-I700 HydrophobicContact CD1-CG2 3.71Å; Y460-I700 HydrophobicContact CD2-CD1 4.4Å; Y460-I700 HydrophobicContact CE1-CG2 3.77Å; Y460-I700 HydrophobicContact CG-CD1 4.06Å; R463-I700 HydrophobicContact CB-CD1 4.03Å; R463-I700 HydrophobicContact CB-CG1 4.16Å; W464-I700 HydrophobicContact CE3-CD1 3.82Å; W464-I700 HydrophobicContact CZ3-CD1 4.22Å; L696-I700 HydrophobicContact CD2-CD1 4.35Å; L696-I700 WeakPolarHBondContact O-CB 3.49Å; L696-I700 WeakPolarHBondContact O-CG1 3.19Å; L696-I700 PolarHBondContact O-N 3.45Å; M697-I700 PolarHBondContact O-N 3.29Å; I700-N703 PolarHBondContact O-N 2.72Å; I700-I704 HydrophobicContact CG2-CD1 3.6Å; I700-I704 HydrophobicContact CG2-CG1 4.3Å; I700-I704 WeakPolarHBondContact O-CB 3.4Å; I700-I704 VanDerWaalsContact O-CG1 3.24Å; I700-I704 WeakPolarHBondContact O-CG1 3.45Å; I700-I704 PolarHBondContact O-N 2.84Å
701	A	86.1	Confident	76.2	Confident	53 Å²	53	83.5 Å²	83.5	44%	0.438	45%	0.446	S	S	.	.	H	α-helix	trans	-62.6	-44.1	178.9	0	0	0	0	0	112	M697 S698 I704 S705	M697-A701 VanDerWaalsContact O-CB 3.29Å; M697-A701 WeakPolarHBondContact O-CB 3.41Å; M697-A701 PolarHBondContact O-N 2.95Å; S698-A701 PolarHBondContact O-N 3.29Å; A701-I704 PolarHBondContact O-N 3.44Å; A701-S705 WeakPolarHBondContact O-CB 3.43Å; A701-S705 PolarHBondContact O-N 3.4Å; A701-S705 PolarHBondContact O-OG 2.82Å
702	T	83.9	Confident	73.6	Confident	62 Å²	62	86.9 Å²	86.9	38%	0.38	46%	0.456	S	S	.	.	H	α-helix	trans	-66.3	-39.2	176.9	45.4	0	0	0	0	112.4	S698 D699 S705 R706	S698-T702 PolarHBondContact O-N 3.44Å; S698-T702 PolarHBondContact O-OG1 3.49Å; D699-T702 WeakPolarHBondContact CA-OG1 3.37Å; D699-T702 PolarHBondContact O-OG1 3.28Å; D699-T702 VanDerWaalsContact O-OG1 3.04Å; T702-S705 PolarHBondContact O-N 3.05Å; T702-R706 WeakPolarHBondContact O-CG 3.27Å; T702-R706 PolarHBondContact O-N 3.41Å
703	N	78.5	Confident	71.3	Confident	81 Å²	81	92 Å²	92	43%	0.433	48%	0.48	S	S	.	.	H	α-helix	trans	-67.7	-40.3	174.7	-81.4	-42.9	0	0	0	112.8	D699 I700 S705 R706 V707	D699-N703 VanDerWaalsContact O-CB 3.32Å; D699-N703 WeakPolarHBondContact O-CB 3.4Å; D699-N703 PolarHBondContact O-N 3.41Å; D699-N703 PolarHBondContact O-ND2 2.9Å; D699-N703 VanDerWaalsContact O-ND2 3.09Å; I700-N703 PolarHBondContact O-N 2.72Å; N703-S705 VanDerWaalsContact C-N 3.32Å; N703-S705 PolarHBondContact O-N 2.76Å; N703-R706 PolarHBondContact O-N 3.48Å; N703-V707 WeakPolarHBondContact O-CG2 3.43Å; N703-V707 PolarHBondContact O-N 2.86Å
704	I	77.6	Confident	68.5	Low	57 Å²	57	95.9 Å²	95.9	29%	0.292	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-42.2	174.5	-69.9	168.5	0	0	0	110.4	I700 A701 V707 R708	I700-I704 HydrophobicContact CG2-CD1 3.6Å; I700-I704 HydrophobicContact CG2-CG1 4.3Å; I700-I704 WeakPolarHBondContact O-CB 3.4Å; I700-I704 VanDerWaalsContact O-CG1 3.24Å; I700-I704 WeakPolarHBondContact O-CG1 3.45Å; I700-I704 PolarHBondContact O-N 2.84Å; A701-I704 PolarHBondContact O-N 3.44Å; I704-V707 PolarHBondContact O-N 2.69Å; I704-R708 PolarHBondContact O-N 2.92Å; I704-R708 VanDerWaalsContact O-N 3.11Å
705	S	70.8	Confident	65.7	Low	72 Å²	72	100.7 Å²	100.7	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-39.4	175.9	-66.2	0	0	0	0	112.4	A701 T702 N703 R708 V709	A701-S705 WeakPolarHBondContact O-CB 3.43Å; A701-S705 PolarHBondContact O-N 3.4Å; A701-S705 PolarHBondContact O-OG 2.82Å; T702-S705 PolarHBondContact O-N 3.05Å; N703-S705 VanDerWaalsContact C-N 3.32Å; N703-S705 PolarHBondContact O-N 2.76Å; S705-R708 PolarHBondContact O-N 2.93Å; S705-V709 WeakPolarHBondContact O-CG2 3.21Å; S705-V709 PolarHBondContact O-N 3.41Å
706	R	64.4	Low	63.1	Low	180 Å²	180	100.1 Å²	100.1	68%	0.679	53%	0.532	S	S	*	.	H	α-helix	trans	-65.2	-38.6	175.3	-77.7	-179.9	-179.2	166.7	2	112.9	T702 N703 V709 S710	T702-R706 WeakPolarHBondContact O-CG 3.27Å; T702-R706 PolarHBondContact O-N 3.41Å; N703-R706 PolarHBondContact O-N 3.48Å; R706-V709 PolarHBondContact O-N 3.18Å; R706-S710 PolarHBondContact O-N 2.78Å; R706-S710 PolarHBondContact O-OG 3.18Å
707	V	59	Low	60.2	Low	83 Å²	83	108.2 Å²	108.2	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-66.5	-38.9	176.6	175.2	0	0	0	0	111.1	N703 I704 V709 S710 D711	N703-V707 WeakPolarHBondContact O-CG2 3.43Å; N703-V707 PolarHBondContact O-N 2.86Å; I704-V707 PolarHBondContact O-N 2.69Å; V707-V709 VanDerWaalsContact C-N 3.3Å; V707-V709 PolarHBondContact O-N 3.3Å; V707-S710 PolarHBondContact O-N 3.08Å; V707-D711 PolarHBondContact O-N 2.65Å
708	R	53	Low	57.5	Low	185 Å²	185	111 Å²	111	70%	0.698	59%	0.588	S	S	*	*	H	α-helix	trans	-65.2	-28.9	177.4	-76	-175	176.1	-177.7	-0	114.1	I704 S705	I704-R708 PolarHBondContact O-N 2.92Å; I704-R708 VanDerWaalsContact O-N 3.11Å; S705-R708 PolarHBondContact O-N 2.93Å
709	V	49.2	Very low	54.9	Low	102 Å²	102	113.5 Å²	113.5	62%	0.618	61%	0.605	S	S	*	*	H	α-helix	trans	-74	-29.8	177	176.2	0	0	0	0	111.6	S705 R706 V707	S705-V709 WeakPolarHBondContact O-CG2 3.21Å; S705-V709 PolarHBondContact O-N 3.41Å; R706-V709 PolarHBondContact O-N 3.18Å; V707-V709 VanDerWaalsContact C-N 3.3Å; V707-V709 PolarHBondContact O-N 3.3Å
710	S	44.5	Very low	52.4	Low	89 Å²	89	115.1 Å²	115.1	62%	0.622	62%	0.619	S	S	*	*	H	α-helix	trans	-74.5	-28.9	178.1	-56.9	0	0	0	0	113.4	R706 V707	R706-S710 PolarHBondContact O-N 2.78Å; R706-S710 PolarHBondContact O-OG 3.18Å; V707-S710 PolarHBondContact O-N 3.08Å
711	D	38.8	Very low	49.9	Very low	134 Å²	134	120 Å²	120	72%	0.717	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-8.4	178.3	-84	-25.7	0	0	0	114.3	V707	V707-D711 PolarHBondContact O-N 2.65Å
712	Q	37	Very low	47.3	Very low	149 Å²	149	124.8 Å²	124.8	70%	0.696	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	6.4	175.1	-75.3	-170.7	-23.1	0	0	114.6	V714	Q712-V714 PolarHBondContact O-N 3.12Å
713	Q	39	Very low	44.8	Very low	170 Å²	170	133 Å²	133	79%	0.794	70%	0.699	S	S	*	*			trans	-98	54.1	167	-73.6	-169.4	-12.6	0	0	112.3
714	V	34.3	Very low	42.6	Very low	130 Å²	130	134.7 Å²	134.7	79%	0.788	71%	0.714	S	S	*	*			trans	-132.2	66.5	157	-167.1	0	0	0	0	108.1	Q712	Q712-V714 PolarHBondContact O-N 3.12Å
715	F	32.6	Very low	40.3	Very low	182 Å²	182	140 Å²	140	80%	0.798	74%	0.738	S	S	*	*			trans	-103.5	133	158.8	-84.3	-81.8	0	0	0	108.7	K717	F715-K717 PolarHBondContact O-N 3.19Å
716	P	36.6	Very low	38.7	Very low	111 Å²	111	142.7 Å²	142.7	72%	0.721	75%	0.754	S	S	*	*			trans	-64.8	133.7	177.5	27.9	-31.5	0	0	0	108.8	P718	P716-P718 WeakPolarHBondContact O-CD 3.38Å; P716-P718 VanDerWaalsContact O-N 3.15Å
717	K	28.5	Very low	37.4	Very low	200 Å²	200	139 Å²	139	87%	0.87	76%	0.755	S	S	*	*			trans	-40.8	119	175.2	-88.4	175.4	172	173.3	0	111	F715	F715-K717 PolarHBondContact O-N 3.19Å
718	P	33.3	Very low	36.3	Very low	114 Å²	114	144.2 Å²	144.2	74%	0.74	77%	0.768	S	S	*	*			trans	-77.4	124.4	165.2	-4.5	21.9	0	0	0	108.5	P716 V720	P716-P718 WeakPolarHBondContact O-CD 3.38Å; P716-P718 VanDerWaalsContact O-N 3.15Å; P718-V720 PolarHBondContact O-N 3.07Å
719	S	34.8	Very low	35.5	Very low	122 Å²	122	140 Å²	140	85%	0.853	77%	0.772	S	S	*	*			trans	-55.7	115.2	168.8	-48.4	0	0	0	0	109.7
720	V	32.7	Very low	34.6	Very low	132 Å²	132	142.4 Å²	142.4	80%	0.8	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-83.9	128.6	176.6	-179.8	0	0	0	0	109.2	P718	P718-V720 PolarHBondContact O-N 3.07Å
721	P	34.2	Very low	34	Very low	113 Å²	113	149.4 Å²	149.4	73%	0.734	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-78.6	136.6	166.8	29.3	-26.1	0	0	0	110.6
722	T	31.7	Very low	33.6	Very low	152 Å²	152	149.7 Å²	149.7	93%	0.933	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-53.8	128.4	-177.1	-8.5	0	0	0	0	113.1
723	R	30.2	Very low	33.5	Very low	234 Å²	234	149.9 Å²	149.9	88%	0.883	81%	0.806	S	S	*	*			trans	-125.2	140	160.9	-171.9	172.7	-177.4	-162.8	-0.1	108.9
724	P	33.2	Very low	33.5	Very low	117 Å²	117	147.4 Å²	147.4	76%	0.76	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.6	146.9	-162	26.7	-21.7	0	0	0	113.5
725	E	29	Very low	33.5	Very low	169 Å²	169	147.5 Å²	147.5	79%	0.79	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.7	146.2	173.2	-66.3	-177.6	148.5	0	0	112.6
726	P	36.3	Very low	33.9	Very low	128 Å²	128	144 Å²	144	83%	0.831	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88	134.7	147.8	14.5	3.6	0	0	0	110.3
727	S	37.9	Very low	34.2	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-67.6	131.3	-171.6	54.8	0	0	0	0	115.6
728	Y	35	Very low	34.5	Very low	194 Å²	194	139.9 Å²	139.9	76%	0.761	80%	0.803	S	S	*	*				47.6	121.7	129.4	-78.3	-97.3	0	0	0	120.9
729	A	35.8	Very low	34.6	Very low	96 Å²	96	143.2 Å²	143.2	79%	0.793	81%	0.808	S	S	*	*				-179.8	111.7	96.3	0	0	0	0	0	112.7
730	N	30.4	Very low	34.8	Very low	152 Å²	152	143 Å²	143	81%	0.813	80%	0.804	S	S	*	*			trans	1.1	115.4	155.7	-70	-32.4	0	0	0	119.8
731	R	32.8	Very low	34.8	Very low	237 Å²	237	145.9 Å²	145.9	89%	0.894	81%	0.809	S	S	*	*			trans	-139.2	109.1	144.5	-81.4	-167.3	176.7	-174.3	-0.6	111.3
732	V	31.2	Very low	35	Very low	139 Å²	139	146.6 Å²	146.6	84%	0.842	81%	0.811	S	S	*	*			trans	23.8	109.1	135.2	-167.2	0	0	0	0	116.6
733	N	34.6	Very low	35.2	Very low	153 Å²	153	145 Å²	145	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-94.6	141.9	159.6	-91.1	-21.6	0	0	0	110.6
734	P	37.5	Very low	35.5	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79.9	140.5	-179.1	31.1	-31.6	0	0	0	112.6
735	V	36	Very low	35.6	Very low	132 Å²	132	142.4 Å²	142.4	80%	0.8	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72	136.1	176.3	173.9	0	0	0	0	111
736	P	40.1	Very low	35.7	Very low	109 Å²	109	142 Å²	142	71%	0.708	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-93.1	149.7	155	30.3	-20.5	0	0	0	111.1
737	P	42	Very low	35.6	Very low	129 Å²	129	141.4 Å²	141.4	84%	0.838	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78	146.7	-160.2	29.8	-33.4	0	0	0	114.6
738	A	34.9	Very low	35.4	Very low	96 Å²	96	142.9 Å²	142.9	79%	0.793	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-54.7	138.9	-177.8	0	0	0	0	0	116.5
739	H	36.6	Very low	35.1	Very low	183 Å²	183	141 Å²	141	85%	0.847	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-97.4	137.7	144.1	-84.1	-62.2	0	0	0	109.2	Q741	H739-Q741 PolarHBondContact O-N 2.88Å
740	P	38.2	Very low	35	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-78.4	119.4	176.7	28.9	-29.9	0	0	0	111.2
741	Q	33.6	Very low	34.8	Very low	191 Å²	191	143.7 Å²	143.7	89%	0.893	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-85	126.4	166.8	-79.1	-174.1	-33.4	0	0	110.4	H739	H739-Q741 PolarHBondContact O-N 2.88Å
742	V	37.7	Very low	34.8	Very low	129 Å²	129	141.4 Å²	141.4	78%	0.782	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.9	140.9	168.8	-174.2	0	0	0	0	108.5
743	P	36	Very low	34.7	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.3	128.5	-176	-6	22.9	0	0	0	111.4
744	M	35.8	Very low	34.3	Very low	179 Å²	179	140.7 Å²	140.7	88%	0.882	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-89.8	134.3	165.5	-70.4	-130	-67.1	0	0	110.5
745	P	36.4	Very low	34	Very low	117 Å²	117	141.5 Å²	141.5	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-84.7	136.1	169	32	-28.6	0	0	0	111.1
746	I	30.6	Very low	33.5	Very low	160 Å²	160	140.7 Å²	140.7	82%	0.821	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-71.6	138.7	169.9	-61	161.8	0	0	0	108.8
747	P	34.9	Very low	33.1	Very low	115 Å²	115	145.3 Å²	145.3	75%	0.747	80%	0.802	S	S	*	*			trans	-121.1	130.4	144.7	19.6	-1.2	0	0	0	111.9
748	T	33.3	Very low	32.6	Very low	133 Å²	133	144.5 Å²	144.5	82%	0.816	80%	0.797	S	S	*	*			trans	-50	135.9	173.1	-4.4	0	0	0	0	113.6
749	I	29.2	Very low	32.3	Very low	156 Å²	156	148.5 Å²	148.5	80%	0.8	80%	0.802	S	S	*	*			trans	-92.4	131	164.5	-59.5	166.6	0	0	0	108
750	P	33.2	Very low	32.5	Very low	119 Å²	119	145.4 Å²	145.4	77%	0.773	80%	0.798	S	S	*	*			trans	-105.9	136.7	153.5	25.8	-10.9	0	0	0	111.1
751	M	26.4	Very low	32.2	Very low	185 Å²	185	145.5 Å²	145.5	91%	0.911	80%	0.798	S	S	*	*			trans	-72.7	136.9	174.6	-65.1	-167.4	161.7	0	0	112.3
752	M	32	Very low	31.9	Very low	188 Å²	188	145 Å²	145	93%	0.926	80%	0.796	S	S	*	*			trans	-153.5	105.3	152.4	-98.9	-175.7	165.2	0	0	105.8
753	N	30.6	Very low	31.7	Very low	148 Å²	148	144.7 Å²	144.7	79%	0.791	80%	0.797	S	S	*	*				66.3	116.5	87.5	-156.9	25.4	0	0	0	114.9
754	N	25.8	Very low	31.1	Very low	129 Å²	129	150.7 Å²	150.7	69%	0.69	80%	0.804	S	S	*	*			trans	27.3	118.4	156.5	-95.2	2	0	0	0	120
755	N	29.9	Very low	30.8	Very low	135 Å²	135	149.4 Å²	149.4	72%	0.722	80%	0.801	S	S	*	*				-155.7	115.6	118.7	-110	-7.4	0	0	0	112.2
756	T	26.5	Very low	30.4	Very low	116 Å²	116	147.8 Å²	147.8	71%	0.712	79%	0.79	S	S	*	*			trans	-48.2	130.7	154.9	33.6	0	0	0	0	112.3
757	Y	32.7	Very low	30.3	Very low	205 Å²	205	149.7 Å²	149.7	80%	0.804	80%	0.796	S	S	*	*			trans	-132.7	142.3	151	-86.9	-81.4	0	0	0	110.4
758	P	31	Very low	30	Very low	112 Å²	112	147.4 Å²	147.4	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-92.8	156.8	-161.5	36.7	-32.1	0	0	0	112.8
759	M	28.8	Very low	29.6	Very low	181 Å²	181	152.4 Å²	152.4	89%	0.892	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.9	141.4	165.8	-60.9	-157.1	-177.2	0	0	111.5
760	P	39	Very low	29.6	Very low	118 Å²	118	150.6 Å²	150.6	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-85.4	144.8	158.8	31.9	-27.4	0	0	0	110.7
761	P	32.8	Very low	29.2	Very low	120 Å²	120	151.3 Å²	151.3	78%	0.779	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80.4	147.8	-175	33.6	-33.8	0	0	0	112.1
762	Q	27.6	Very low	29.2	Very low	180 Å²	180	150.7 Å²	150.7	84%	0.841	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.3	139.7	168	-70.2	-131.5	-54.7	0	0	112.3
763	P	32.5	Very low	28.9	Very low	123 Å²	123	147.6 Å²	147.6	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-97.9	117	152.5	18.2	-1	0	0	0	110.1
764	W	24.8	Very low	28.6	Very low	246 Å²	246	148.7 Å²	148.7	93%	0.932	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-61.6	126	160.5	-135.7	51.2	0	0	0	108.6
765	N	29.8	Very low	28.5	Very low	152 Å²	152	148.2 Å²	148.2	81%	0.813	79%	0.794	S	S	*	*			trans	-141.2	130.1	159.2	-153.1	47	0	0	0	109.9
766	P	27.9	Very low	28.2	Very low	82 Å²	82	146.2 Å²	146.2	53%	0.532	79%	0.791	S	S	.	*			trans	-87	162.1	175.4	35.6	-30.7	0	0	0	110.9
767	Q	27.4	Very low	28.1	Very low	200 Å²	200	146.8 Å²	146.8	94%	0.935	80%	0.797	S	S	*	*			trans	90.3	122.4	170.4	-59.5	171.6	-82	0	0	117.9
768	G	28.9	Very low	27.6	Very low	68 Å²	68	146.4 Å²	146.4	70%	0.701	80%	0.8	S	S	*	*			trans	137.7	70.4	161.5	0	0	0	0	0	112.6	P770	G768-P770 WeakPolarHBondContact O-CD 3.45Å
769	Y	25.3	Very low	27.2	Very low	237 Å²	237	144.3 Å²	144.3	93%	0.929	80%	0.799	S	S	*	*			trans	-60.2	118.6	166.7	-78.3	-93.5	0	0	0	109.6
770	P	28	Very low	26.9	Very low	118 Å²	118	144 Å²	144	77%	0.766	80%	0.797	S	S	*	*			trans	-88.3	116.3	155.9	16.2	3.7	0	0	0	107.5	G768 M772	G768-P770 WeakPolarHBondContact O-CD 3.45Å; P770-M772 PolarHBondContact O-N 3.27Å
771	V	25.8	Very low	26.1	Very low	135 Å²	135	142.1 Å²	142.1	82%	0.818	79%	0.792	S	S	*	*			trans	-26.7	115.9	165.3	176.2	0	0	0	0	111.8
772	M	25.4	Very low	25.6	Very low	171 Å²	171	141.5 Å²	141.5	84%	0.842	79%	0.787	S	S	*	*			trans	-59.6	128.9	165.7	-67.5	-163.8	-176.6	0	0	108.4	P770 Q774	P770-M772 PolarHBondContact O-N 3.27Å; M772-Q774 PolarHBondContact O-N 3.41Å; M772-Q774 VanDerWaalsContact O-N 3.11Å
773	P	25.6	Very low	25.6	Very low	123 Å²	123	141.2 Å²	141.2	80%	0.799	78%	0.78	S	S	*	*			trans	-64	117.5	164.5	25.4	-27	0	0	0	107.2
774	Q	24.7	Very low	25.2	Very low	172 Å²	172	138.5 Å²	138.5	80%	0.804	76%	0.762	S	S	*	*			trans	-43.2	130.7	167.6	-78.4	-110.6	-62	0	0	110	M772 S776	M772-Q774 PolarHBondContact O-N 3.41Å; M772-Q774 VanDerWaalsContact O-N 3.11Å; Q774-S776 PolarHBondContact O-N 3.01Å; Q774-S776 VanDerWaalsContact O-N 3.14Å
775	P	23.8	Very low	25.2	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	74%	0.739	S	S	*	*			trans	-64.5	119.1	164.7	27.2	-28.7	0	0	0	107.1
776	S	24.3	Very low	25.2	Very low	94 Å²	94	125.6 Å²	125.6	66%	0.657	72%	0.717	S	S	*	*			trans	-49.9	138.9	169.7	-39.2	0	0	0	0	109.6	Q774 F778	Q774-S776 PolarHBondContact O-N 3.01Å; Q774-S776 VanDerWaalsContact O-N 3.14Å; S776-F778 PolarHBondContact O-N 3.19Å
777	P	23.8	Very low	25.4	Very low	128 Å²	128	126 Å²	126	83%	0.831	71%	0.709	S	S	*	*	S	Bend	trans	-79.2	62.6	173.8	34.4	-32.9	0	0	0	109.2
778	F	23.2	Very low	25.4	Very low	196 Å²	196	120.4 Å²	120.4	86%	0.86	69%	0.69	S	S	*	*			trans	-142.7	85.3	174.3	-91.1	-84.5	0	0	0	106.8	S776	S776-F778 PolarHBondContact O-N 3.19Å
779	G	22.9	Very low	25.4	Very low	69 Å²	69	122.1 Å²	122.1	71%	0.711	68%	0.678	S	S	*	*			trans	164.8	34.1	-175.9	0	0	0	0	0	115.7
780	M	21.6	Very low	25.8	Very low	175 Å²	175	116.4 Å²	116.4	86%	0.862	66%	0.656	S	S	*	*			trans	-131.7	91.6	156.1	-79.4	-68.4	177.3	0	0	105.4
781	A	22	Very low	25.8	Very low	78 Å²	78	113 Å²	113	65%	0.645	64%	0.642	S	S	*	*			trans	-54.6	125.5	161.2	0	0	0	0	0	106.7	Y783	A781-Y783 PolarHBondContact O-N 2.84Å
782	P	23.5	Very low	25.9	Very low	106 Å²	106	110.2 Å²	110.2	69%	0.688	63%	0.633	S	S	*	*			trans	-63.4	115.7	171.2	27.5	-29.6	0	0	0	106
783	Y	25.8	Very low	26.1	Very low	175 Å²	175	104 Å²	104	69%	0.686	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-65.1	128.9	168.7	-79	-93.8	0	0	0	107	V80 A781 A785	V80-Y783 HydrophobicContact CG2-CE1 4.32Å; A781-Y783 PolarHBondContact O-N 2.84Å; Y783-A785 PolarHBondContact O-N 2.98Å; Y783-A785 VanDerWaalsContact O-N 3.16Å
784	P	25.2	Very low	26.2	Very low	65 Å²	65	101 Å²	101	42%	0.422	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-61.1	124.9	178.1	22.2	-29.4	0	0	0	107.7	E353 M786	E353-P784 HydrophobicContact CG-CB 4.25Å; P784-M786 PolarHBondContact O-N 3.26Å
785	A	25.5	Very low	26.4	Very low	55 Å²	55	97.2 Å²	97.2	46%	0.455	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-52.3	127.4	169.9	0	0	0	0	0	108.2	Y783 Y787	Y783-A785 PolarHBondContact O-N 2.98Å; Y783-A785 VanDerWaalsContact O-N 3.16Å; A785-Y787 PolarHBondContact O-N 2.85Å; A785-Y787 VanDerWaalsContact O-N 3.14Å
786	M	28.7	Very low	26.4	Very low	72 Å²	72	97.7 Å²	97.7	36%	0.355	56%	0.563	S	S	.	*	S	Bend	trans	-57.7	121.6	159.1	-93.7	-178.7	74.7	0	0	105.6	K681 P784	K681-M786 HydrophobicContact CD-CE 4.49Å; P784-M786 PolarHBondContact O-N 3.26Å
787	Y	31.8	Very low	26.4	Very low	91 Å²	91	98.4 Å²	98.4	36%	0.357	57%	0.566	S	S	.	*			trans	86.3	101.6	-177.1	-58.3	-82.6	0	0	0	116.7	K681 A785 F789	K681-Y787 PolarHBondContact NZ-OH 3.42Å; A785-Y787 PolarHBondContact O-N 2.85Å; A785-Y787 VanDerWaalsContact O-N 3.14Å; Y787-F789 VanDerWaalsContact C-N 3.28Å; Y787-F789 PolarHBondContact O-N 3.07Å
788	P	28.7	Very low	26.4	Very low	82 Å²	82	100.5 Å²	100.5	53%	0.532	57%	0.567	S	S	.	*			trans	-82.1	79.5	157.6	34.3	-26	0	0	0	107.5	N356	N356-P788 HydrophobicContact CB-CB 3.98Å; N356-P788 HydrophobicContact CB-CG 3.85Å
789	F	28.5	Very low	26.3	Very low	105 Å²	105	96.3 Å²	96.3	46%	0.461	56%	0.559	S	S	.	*			trans	-147.6	74.1	171.4	-146.2	-90.3	0	0	0	111.4	E670 I674 Y787	E670-F789 HydrophobicContact CB-CE1 4.48Å; E670-F789 VanDerWaalsContact OE2-CE1 3.29Å; E670-F789 WeakPolarHBondContact OE2-CE1 3.29Å; E670-F789 WeakPolarHBondContact OE2-CZ 3.36Å; I674-F789 HydrophobicContact CD1-CB 4.12Å; I674-F789 HydrophobicContact CD1-CD1 4.02Å; I674-F789 HydrophobicContact CD1-CG 4.32Å; Y787-F789 VanDerWaalsContact C-N 3.28Å; Y787-F789 PolarHBondContact O-N 3.07Å
790	Y	33.6	Very low	26.3	Very low	117 Å²	117	99.3 Å²	99.3	46%	0.459	57%	0.566	S	S	.	*			trans	-139.5	71.6	161.3	-81.2	-94.7	0	0	0	106.7	C483 L486 A792	C483-Y790 PolarHBondContact SG-OH 3.04Å; L486-Y790 HydrophobicContact CB-CE1 3.69Å; L486-Y790 HydrophobicContact CD1-CD1 3.73Å; L486-Y790 HydrophobicContact CD1-CE1 3.57Å; L486-Y790 HydrophobicContact CD2-CD1 3.87Å; L486-Y790 HydrophobicContact CD2-CE1 3.06Å; L486-Y790 HydrophobicContact CG-CD1 4.21Å; L486-Y790 HydrophobicContact CG-CE1 3.54Å; Y790-A792 PolarHBondContact O-N 3.13Å; Y790-A792 VanDerWaalsContact O-N 3.16Å
791	G	27.7	Very low	26.4	Very low	45 Å²	45	98.3 Å²	98.3	46%	0.464	56%	0.564	S	S	.	*			trans	-62.5	108.9	152.6	0	0	0	0	0	105.6	Y793	G791-Y793 PolarHBondContact O-N 3.07Å
792	A	27.4	Very low	26.5	Very low	78 Å²	78	98.7 Å²	98.7	65%	0.645	57%	0.567	S	S	*	*			trans	-56	132.7	172.4	0	0	0	0	0	107.7	Y790	Y790-A792 PolarHBondContact O-N 3.13Å; Y790-A792 VanDerWaalsContact O-N 3.16Å
793	Y	29.7	Very low	26.5	Very low	41 Å²	41	98.9 Å²	98.9	16%	0.161	57%	0.571	C	S	.	*			trans	-45.3	148.3	160.6	-100.6	-90.9	0	0	0	110.3	T490 D663 A664 F667 G791 T795	T490-Y793 HydrophobicContact CG2-CD2 3.83Å; T490-Y793 HydrophobicContact CG2-CE2 4.27Å; D663-Y793 HydrophobicContact CB-CE1 4.36Å; D663-Y793 PolarHBondContact O-OH 3.08Å; A664-Y793 WeakPolarHBondContact CA-OH 3.42Å; A664-Y793 PolarHBondContact N-OH 3.25Å; A664-Y793 VanDerWaalsContact N-OH 3.08Å; A664-Y793 PolarHBondContact O-OH 3.19Å; F667-Y793 HydrophobicContact CB-CE2 3.5Å; F667-Y793 VanDerWaalsContact CB-CE2 3.5Å; F667-Y793 WeakPolarHBondContact CB-OH 3.27Å; F667-Y793 AromaticContact CD1-CE2 3.55Å; F667-Y793 HydrophobicContact CD1-CE2 3.55Å; F667-Y793 HydrophobicContact CD2-CD2 4.22Å; F667-Y793 AromaticContact CD2-CE2 3.52Å; F667-Y793 HydrophobicContact CD2-CE2 3.52Å; F667-Y793 AromaticContact CE1-CE2 3.93Å; F667-Y793 HydrophobicContact CE1-CE2 3.93Å; F667-Y793 HydrophobicContact CE2-CD2 4.23Å; F667-Y793 AromaticContact CE2-CE2 3.9Å; F667-Y793 HydrophobicContact CE2-CE2 3.9Å; F667-Y793 HydrophobicContact CG-CD2 4.36Å; F667-Y793 AromaticContact CG-CE2 3.3Å; F667-Y793 HydrophobicContact CG-CE2 3.3Å; F667-Y793 AromaticContact CG-CZ 3.93Å; F667-Y793 HydrophobicContact CZ-CD2 4.37Å; F667-Y793 HydrophobicContact CZ-CE2 4.05Å; G791-Y793 PolarHBondContact O-N 3.07Å; Y793-T795 PolarHBondContact O-N 2.89Å
794	P	27.2	Very low	26.5	Very low	59 Å²	59	100 Å²	100	38%	0.383	58%	0.58	S	S	.	*			trans	-64.7	86	159.8	29.4	-31.7	0	0	0	107.3	M796	P794-M796 PolarHBondContact O-N 3.5Å
795	T	28.8	Very low	26.5	Very low	93 Å²	93	102.2 Å²	102.2	57%	0.571	60%	0.597	S	S	*	*			trans	-63.6	108.7	161.1	56.2	0	0	0	0	105.3	Y793	Y793-T795 PolarHBondContact O-N 2.89Å
796	M	25.2	Very low	26.6	Very low	127 Å²	127	105 Å²	105	63%	0.626	61%	0.613	S	S	*	*			trans	-43.1	135.2	160.9	-74.3	-89.1	-168.4	0	0	108.2	P794 M798	P794-M796 PolarHBondContact O-N 3.5Å; M796-M798 PolarHBondContact O-N 3.16Å; M796-M798 VanDerWaalsContact O-N 3.08Å
797	P	24.5	Very low	26.5	Very low	110 Å²	110	107.4 Å²	107.4	71%	0.714	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-64.3	118.5	-175.6	25.9	-31.4	0	0	0	109
798	M	23.5	Very low	26.3	Very low	171 Å²	171	110.7 Å²	110.7	84%	0.842	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-59.7	140.1	163.2	-68.6	-77.4	-95.7	0	0	108.3	M796	M796-M798 PolarHBondContact O-N 3.16Å; M796-M798 VanDerWaalsContact O-N 3.08Å
799	P	21.1	Very low	26.4	Very low	109 Å²	109	115.6 Å²	115.6	71%	0.708	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-61	145.1	175.4	26.1	-32.1	0	0	0	109.7	N801	P799-N801 PolarHBondContact O-N 2.75Å
800	P	23.1	Very low	26.3	Very low	132 Å²	132	119.1 Å²	119.1	86%	0.857	70%	0.696	S	S	*	*	S	Bend	trans	-73.3	93.6	-171.9	30	-32.7	0	0	0	109.5
801	N	22.8	Very low	26.2	Very low	154 Å²	154	122.2 Å²	122.2	82%	0.824	71%	0.714	S	S	*	*			trans	-154.9	78.9	163.5	-139.3	8.6	0	0	0	112.2	P799	P799-N801 PolarHBondContact O-N 2.75Å
802	A	24.4	Very low	26.4	Very low	85 Å²	85	125.7 Å²	125.7	70%	0.702	73%	0.729	S	S	*	*			trans	-167.1	79.9	152.7	0	0	0	0	0	108.9	F804	A802-F804 PolarHBondContact O-N 2.92Å
803	S	22.8	Very low	26.4	Very low	111 Å²	111	126.1 Å²	126.1	78%	0.776	73%	0.732	S	S	*	*			trans	-63.5	99.1	163.6	33.3	0	0	0	0	109.5
804	F	26.5	Very low	26.5	Very low	198 Å²	198	133.8 Å²	133.8	87%	0.868	77%	0.769	S	S	*	*			trans	-87.1	110.8	157.5	-99.7	-85.4	0	0	0	109	A802	A802-F804 PolarHBondContact O-N 2.92Å
805	S	25.7	Very low	26.6	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-49.5	127.7	178.4	-41.5	0	0	0	0	112.7
806	S	26.2	Very low	26.8	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71.1	146.3	163.3	-72	0	0	0	0	110.6	N808	S806-N808 PolarHBondContact O-N 3.26Å
807	P	26.8	Very low	27.1	Very low	124 Å²	124	138.1 Å²	138.1	81%	0.805	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.2	128.4	179	29.2	-30.9	0	0	0	110.9	M809	P807-M809 PolarHBondContact O-N 3.46Å
808	N	27.9	Very low	27.4	Very low	159 Å²	159	137 Å²	137	85%	0.85	81%	0.812	S	S	*	*			trans	-24.2	116.1	171.7	-85.6	-21.6	0	0	0	115.9	S806	S806-N808 PolarHBondContact O-N 3.26Å
809	M	31	Very low	27.8	Very low	185 Å²	185	137 Å²	137	91%	0.911	82%	0.815	S	S	*	*			trans	-90	112.1	144.9	-81.6	-114.8	153.4	0	0	108.2	P807 H811	P807-M809 PolarHBondContact O-N 3.46Å; M809-H811 PolarHBondContact O-N 3.23Å
810	M	26.6	Very low	28.3	Very low	179 Å²	179	135.3 Å²	135.3	88%	0.882	82%	0.818	S	S	*	*			trans	-61.6	119.7	170.1	-75.8	169	76.6	0	0	109.8
811	H	31.2	Very low	28.7	Very low	182 Å²	182	134 Å²	134	84%	0.843	82%	0.817	S	S	*	*			trans	-124.3	142	149.1	-105.3	-75.1	0	0	0	108.7	M809	M809-H811 PolarHBondContact O-N 3.23Å
812	P	31.3	Very low	29.1	Very low	119 Å²	119	136.1 Å²	136.1	77%	0.773	82%	0.82	S	S	*	*			trans	-82.1	151.7	-160	1.8	15.7	0	0	0	113.1
813	A	27.4	Very low	30	Very low	86 Å²	86	137.4 Å²	137.4	71%	0.711	82%	0.821	S	S	*	*			trans	-45.1	134.1	177.4	0	0	0	0	0	116
814	H	33	Very low	30.4	Very low	202 Å²	202	139.3 Å²	139.3	94%	0.935	82%	0.823	S	S	*	*			trans	-132.7	119.8	136.5	-89.1	-66.9	0	0	0	109
815	S	29.8	Very low	30.8	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	81%	0.814	S	S	*	*			trans	-105.8	149.8	178.1	65.9	0	0	0	0	111.4
816	M	32.4	Very low	31.2	Very low	192 Å²	192	135.6 Å²	135.6	95%	0.946	82%	0.816	S	S	*	*			trans	92.9	125.2	150.4	-60.2	-152.8	168.9	0	0	119.2
817	G	31.3	Very low	31.5	Very low	82 Å²	82	134.3 Å²	134.3	85%	0.845	82%	0.821	S	S	*	*			trans	157.5	82.7	155	0	0	0	0	0	113.9
818	A	30	Very low	31.9	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	82%	0.82	S	S	*	*			trans	-75.4	153.1	176.2	0	0	0	0	0	113.8
819	N	32.3	Very low	32.1	Very low	169 Å²	169	132 Å²	132	90%	0.904	82%	0.818	S	S	*	*			trans	125.5	130.6	143.5	-74.2	-22.3	0	0	0	116
820	G	31.5	Very low	32.6	Very low	75 Å²	75	129.8 Å²	129.8	77%	0.773	82%	0.815	S	S	*	*			trans	137.3	86.7	143.2	0	0	0	0	0	117.7
821	A	31.8	Very low	32.9	Very low	103 Å²	103	128.6 Å²	128.6	85%	0.851	81%	0.812	S	S	*	*			trans	34.9	126.4	134.2	0	0	0	0	0	122.4
822	F	31.9	Very low	33.8	Very low	199 Å²	199	125.1 Å²	125.1	87%	0.873	81%	0.806	S	S	*	*			trans	-68.6	-179.5	151.5	-72.7	-86	0	0	0	111.7
823	P	42.5	Very low	34.5	Very low	113 Å²	113	125.3 Å²	125.3	73%	0.734	81%	0.807	S	S	*	*			cis	-144.5	173	4	43.3	-24.2	0	0	0	117.7
824	N	32.2	Very low	34.9	Very low	151 Å²	151	125.6 Å²	125.6	81%	0.807	81%	0.81	S	S	*	*			trans	87.9	146.8	135.3	-141	8.8	0	0	0	123.8
825	V	33.7	Very low	35.2	Very low	112 Å²	112	122.3 Å²	122.3	68%	0.679	81%	0.806	S	S	*	*			trans	112.8	96.6	146.1	-171.3	0	0	0	0	119.3
826	S	34.1	Very low	35.8	Very low	119 Å²	119	122.8 Å²	122.8	83%	0.832	82%	0.816	S	S	*	*				86.1	136.7	123.6	-58.8	0	0	0	0	125.7
827	G	33.6	Very low	36	Very low	86 Å²	86	118.9 Å²	118.9	89%	0.887	81%	0.814	S	S	*	*			trans	103.8	127.7	149.3	0	0	0	0	0	114.4
828	G	33.8	Very low	36.1	Very low	77 Å²	77	118.8 Å²	118.8	79%	0.794	81%	0.813	S	S	*	*			cis	176.6	168.3	10.7	0	0	0	0	0	109.4
829	I	33.4	Very low	36.4	Very low	158 Å²	158	118.7 Å²	118.7	81%	0.81	82%	0.821	S	S	*	*			trans	-81.1	145.3	-166.2	-65.3	157.2	0	0	0	113.1
830	T	40.5	Very low	36.3	Very low	137 Å²	137	114.2 Å²	114.2	84%	0.84	81%	0.814	S	S	*	*				173.9	150.7	126.3	33.3	0	0	0	0	112.9
831	D	34.2	Very low	36.5	Very low	154 Å²	154	118.5 Å²	118.5	82%	0.824	82%	0.819	S	S	*	*			trans	-63.7	169	-160.6	-78.1	-55.6	0	0	0	121.1
832	P	50.2	Low	36.7	Very low	110 Å²	110	122.2 Å²	122.2	71%	0.714	82%	0.819	S	S	*	*			trans	-91.2	174.5	-174.3	39.3	-34.9	0	0	0	113.3
833	P	44.6	Very low	36.6	Very low	122 Å²	122	116.1 Å²	116.1	79%	0.792	81%	0.812	S	S	*	*				-159.6	169.9	103.7	38.8	-18.4	0	0	0	118.4
834	A	35.7	Very low	36.2	Very low	92 Å²	92	119.6 Å²	119.6	76%	0.76	82%	0.818	S	S	*	*			trans	93.4	127.8	142.1	0	0	0	0	0	121.3
835	P	39.1	Very low	36.2	Very low	133 Å²	133	123.1 Å²	123.1	86%	0.864	82%	0.822	S	S	*	*			trans	-93.5	149.9	165.8	36.8	-29	0	0	0	111.7
836	A	43.8	Very low	35.9	Very low	107 Å²	107	125.4 Å²	125.4	88%	0.884	83%	0.829	S	S	*	*			trans	-109.8	127.4	176.8	0	0	0	0	0	111.7
837	A	35	Very low	36	Very low	109 Å²	109	125.6 Å²	125.6	90%	0.901	83%	0.828	S	S	*	*			trans	-90.4	160.6	174.9	0	0	0	0	0	112.2
838	G	34.9	Very low	35.9	Very low	80 Å²	80	125.2 Å²	125.2	83%	0.825	82%	0.824	S	S	*	*			trans	-169.6	104.5	166.3	0	0	0	0	0	115.4
839	G	34.9	Very low	35.9	Very low	87 Å²	87	130.5 Å²	130.5	90%	0.897	83%	0.828	S	S	*	*			trans	88.7	122.1	156.4	0	0	0	0	0	116
840	G	31.2	Very low	36.3	Very low	74 Å²	74	128.3 Å²	128.3	76%	0.763	82%	0.824	S	S	*	*			cis	129.5	110.9	13.1	0	0	0	0	0	109.2
841	L	36.3	Very low	36	Very low	165 Å²	165	127.2 Å²	127.2	86%	0.864	82%	0.822	S	S	*	*			trans	175	141.2	135.9	-91.3	166	0	0	0	111.9
842	Q	35.7	Very low	36.4	Very low	182 Å²	182	124.5 Å²	124.5	85%	0.85	82%	0.82	S	S	*	*			trans	-46.4	149.8	178.7	-66.6	147.6	-31.2	0	0	113.5
843	G	29.5	Very low	35.7	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	83%	0.828	S	S	*	*			cis	105.8	92.2	27.6	0	0	0	0	0	110.4
844	Q	33.7	Very low	36.1	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	85%	0.85	S	S	*	*			trans	-172.1	115.3	151.6	-109.2	174.2	14.1	0	0	113.6
845	Y	31.5	Very low	36.1	Very low	225 Å²	225	133.6 Å²	133.6	88%	0.882	86%	0.855	S	S	*	*			trans	39.9	118.7	139.7	-71.8	-95.4	0	0	0	122.7
846	L	28.3	Very low	36	Very low	161 Å²	161	133.6 Å²	133.6	84%	0.843	85%	0.854	S	S	*	*			trans	-72.9	176.7	148.5	-89.3	147	0	0	0	110.9
847	P	37.1	Very low	35.5	Very low	123 Å²	123	135.1 Å²	135.1	80%	0.799	85%	0.853	S	S	*	*			cis	-138.4	173.7	-3	26.2	-1.9	0	0	0	115.3
848	G	31.5	Very low	35.6	Very low	78 Å²	78	136.6 Å²	136.6	80%	0.804	85%	0.85	S	S	*	*			trans	173.1	108	160.7	0	0	0	0	0	115.5
849	Q	32.8	Very low	35.6	Very low	188 Å²	188	140.1 Å²	140.1	88%	0.879	85%	0.851	S	S	*	*			trans	-108.5	154.9	152.6	-109.4	-164.2	-17.4	0	0	106.7
850	P	41	Very low	35.7	Very low	111 Å²	111	143.7 Å²	143.7	72%	0.721	85%	0.848	S	S	*	*				-161.9	171.4	66.8	44.3	-22.1	0	0	0	119.5
851	S	34.7	Very low	36	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	85%	0.854	S	S	*	*			trans	68.8	130.8	141.5	-54.6	0	0	0	0	126.3
852	A	42.7	Very low	36	Very low	96 Å²	96	147.4 Å²	147.4	79%	0.793	85%	0.854	S	S	*	*			trans	130.6	97.2	136.6	0	0	0	0	0	113.7
853	Q	36.3	Very low	36	Very low	188 Å²	188	144.5 Å²	144.5	88%	0.879	85%	0.854	S	S	*	*				62.4	149.6	85.5	-87.4	-163.1	-23.6	0	0	116.7
854	P	52.9	Low	36.6	Very low	193 Å²	193	151.3 Å²	151.3	100%	1.253	87%	0.866	S	S	*	*			cis	-103.7	0	4.7	28.2	-12	0	0	0	115.5

Retrieved 854 of 854 residues in 946.5 ms (Link to these results)

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