A0A5K4F3V9_SCHMA Loading...

Putative na+/myo-inositol cotransporter

AlphaFold DB , UniProt , Accession A0A5K4F3V9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 645 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	66.7	Low	59 Å²	59	41.7 Å²	41.7	29%	0.291	22%	0.215	S	C	.	.				0	45.4	0	-76.8	177.4	-104.1	0	0	110.8	L211 A219 I571 T572	M1-L211 HydrophobicContact CG-CD2 3.31Å; M1-L211 HydrophobicContact SD-CB 4.36Å; M1-L211 HydrophobicContact SD-CD2 3.89Å; M1-A219 HydrophobicContact CE-CB 4.45Å; M1-I571 HydrophobicContact CB-CG2 4.22Å; M1-I571 HydrophobicContact CG-CG2 4.36Å; M1-I571 HydrophobicContact SD-CG2 3.38Å; M1-I571 WeakPolarHBondContact SD-CG2 2.98Å; M1-T572 WeakPolarHBondContact O-CA 3.48Å; M1-T572 WeakPolarHBondContact O-CG2 3.41Å
2	L	44.3	Very low	68.6	Low	32 Å²	32	38.4 Å²	38.4	17%	0.168	20%	0.198	C	C	.	.			trans	-84	-20	-164.8	-74.9	160.6	0	0	0	114.8	R467 A473 L574	L2-R467 HydrophobicContact CB-CB 4.03Å; L2-R467 HydrophobicContact CD1-CB 4.27Å; L2-R467 WeakPolarHBondContact CD1-O 3.32Å; L2-R467 PolarHBondContact O-NH1 3.3Å; L2-A473 HydrophobicContact CD1-CB 3.78Å; L2-L574 HydrophobicContact CD1-CD1 4.35Å; L2-L574 HydrophobicContact CD1-CD2 4.44Å; L2-L574 HydrophobicContact CD2-CD1 3.74Å; L2-L574 HydrophobicContact CD2-CD2 3.86Å; L2-L574 HydrophobicContact CD2-CG 3.7Å; L2-L574 HydrophobicContact CG-CD2 4.19Å
3	I	50.8	Low	69.9	Low	49 Å²	49	41.2 Å²	41.2	25%	0.251	21%	0.207	S	C	.	.	S	Bend	trans	-128.6	145.6	175.9	-58.1	159.2	0	0	0	104.3	V5 K14 L468	I3-V5 VanDerWaalsContact C-N 3.3Å; I3-V5 HydrophobicContact CB-CG2 3.96Å; I3-V5 HydrophobicContact CG2-CG2 3.97Å; I3-V5 PolarHBondContact O-N 2.77Å; I3-K14 HydrophobicContact CG2-CD 3.64Å; I3-L468 HydrophobicContact CD1-CD1 3.93Å; I3-L468 HydrophobicContact CD1-CD2 3.47Å; I3-L468 VanDerWaalsContact CD1-CD2 3.47Å; I3-L468 HydrophobicContact CD1-CG 3.51Å
4	Q	59.3	Low	71.1	Confident	132 Å²	132	42.9 Å²	42.9	62%	0.617	21%	0.213	S	C	*	.	S	Bend	trans	-55.6	97.7	169.5	-68.7	164.4	-24	0	0	107.6	K14 L568	Q4-K14 PolarHBondContact O-NZ 3.44Å; Q4-L568 HydrophobicContact CG-CD1 4.13Å; Q4-L568 HydrophobicContact CG-CD2 4.07Å; Q4-L568 VanDerWaalsContact NE2-CD2 3.28Å
5	V	66.5	Low	72.4	Confident	33 Å²	33	40.1 Å²	40.1	20%	0.2	20%	0.199	C	C	.	.			trans	-143.5	121.6	-175.3	171.4	0	0	0	0	106.8	I3 T7 E10 K14	I3-V5 VanDerWaalsContact C-N 3.3Å; I3-V5 HydrophobicContact CB-CG2 3.96Å; I3-V5 HydrophobicContact CG2-CG2 3.97Å; I3-V5 PolarHBondContact O-N 2.77Å; V5-T7 WeakPolarHBondContact CG1-O 3.16Å; V5-E10 VanDerWaalsContact CA-OE2 3.29Å; V5-E10 WeakPolarHBondContact CA-OE2 3.28Å; V5-E10 HydrophobicContact CG1-CB 4.08Å; V5-E10 HydrophobicContact CG1-CG 4.22Å; V5-E10 HydrophobicContact CG2-CG 4.31Å; V5-K14 HydrophobicContact CG2-CD 3.85Å
6	S	65.7	Low	73.5	Confident	60 Å²	60	37.8 Å²	37.8	42%	0.42	19%	0.188	S	C	.	.			trans	-106	-17.9	-177.3	62.5	0	0	0	0	113.1	E10 Q204	S6-E10 PolarHBondContact N-OE2 3.22Å; S6-E10 PolarHBondContact OG-OE2 3.49Å; S6-Q204 PolarHBondContact O-NE2 3Å
7	T	75.2	Confident	74.1	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.189	C	C	.	.	S	Bend	trans	-129.5	149.3	-178.3	83.5	0	0	0	0	112.1	V5 P9 E10 Y11 Q204 T312 D317	V5-T7 WeakPolarHBondContact CG1-O 3.16Å; T7-P9 WeakPolarHBondContact OG1-CD 3.16Å; T7-E10 PolarHBondContact O-N 3.48Å; T7-E10 VanDerWaalsContact OG1-CB 3.32Å; T7-E10 WeakPolarHBondContact OG1-CB 3.22Å; T7-E10 PolarHBondContact OG1-N 3.41Å; T7-Y11 PolarHBondContact O-N 2.94Å; T7-Y11 VanDerWaalsContact O-N 3.12Å; T7-Q204 VanDerWaalsContact CA-OE1 3.3Å; T7-T312 HydrophobicContact CG2-CG2 4.48Å; T7-D317 WeakPolarHBondContact CG2-OD2 3.41Å; T7-D317 PolarHBondContact OG1-OD1 3.27Å; T7-D317 VanDerWaalsContact OG1-OD1 3.08Å; T7-D317 PolarHBondContact OG1-OD2 3.18Å
8	L	82.1	Confident	74.6	Confident	10 Å²	10	37.4 Å²	37.4	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-47	170	171	76.7	0	0	0	111.8	E10 Y11 M12 L25 A202 F380	L8-E10 PolarHBondContact O-N 2.91Å; L8-Y11 HydrophobicContact CD1-CD1 4.05Å; L8-Y11 WeakPolarHBondContact O-CB 3.41Å; L8-Y11 PolarHBondContact O-N 3.41Å; L8-Y11 VanDerWaalsContact O-N 3.07Å; L8-M12 HydrophobicContact CD1-CG 4.05Å; L8-M12 HydrophobicContact CD1-SD 4.46Å; L8-M12 HydrophobicContact CG-CG 4.18Å; L8-M12 WeakPolarHBondContact O-CG 3.31Å; L8-M12 PolarHBondContact O-N 2.82Å; L8-L25 HydrophobicContact CD2-CD1 4.48Å; L8-A202 HydrophobicContact CD2-CB 3.58Å; L8-A202 WeakPolarHBondContact CD2-O 3.4Å; L8-F380 HydrophobicContact CD1-CD2 3.62Å; L8-F380 HydrophobicContact CD1-CE2 3.45Å; L8-F380 VanDerWaalsContact CD1-CE2 3.45Å
9	P	83.8	Confident	75.1	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.013	21%	0.208	C	C	.	.	H	α-helix	trans	-53.5	-37.7	175.8	-28.3	35.1	0	0	0	113.3	T7 M12 K13 Q22 L25 L313 D317	T7-P9 WeakPolarHBondContact OG1-CD 3.16Å; P9-M12 PolarHBondContact O-N 3.12Å; P9-K13 WeakPolarHBondContact O-CB 3.3Å; P9-K13 PolarHBondContact O-N 3.24Å; P9-Q22 HydrophobicContact CB-CB 4.25Å; P9-Q22 HydrophobicContact CB-CG 3.49Å; P9-Q22 VanDerWaalsContact CB-CG 3.49Å; P9-L25 HydrophobicContact CB-CB 4.4Å; P9-L25 HydrophobicContact CG-CB 4.01Å; P9-L313 HydrophobicContact CG-CD2 4.06Å; P9-D317 HydrophobicContact CB-CB 4.37Å
10	E	80.5	Confident	75.8	Confident	41 Å²	41	44 Å²	44	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-40.5	175.3	-175.2	-169.2	-178.6	0	0	112.7	V5 S6 T7 L8 M12 K13 K14	V5-E10 VanDerWaalsContact CA-OE2 3.29Å; V5-E10 WeakPolarHBondContact CA-OE2 3.28Å; V5-E10 HydrophobicContact CG1-CB 4.08Å; V5-E10 HydrophobicContact CG1-CG 4.22Å; V5-E10 HydrophobicContact CG2-CG 4.31Å; S6-E10 PolarHBondContact N-OE2 3.22Å; S6-E10 PolarHBondContact OG-OE2 3.49Å; T7-E10 PolarHBondContact O-N 3.48Å; T7-E10 VanDerWaalsContact OG1-CB 3.32Å; T7-E10 WeakPolarHBondContact OG1-CB 3.22Å; T7-E10 PolarHBondContact OG1-N 3.41Å; L8-E10 PolarHBondContact O-N 2.91Å; E10-M12 VanDerWaalsContact C-N 3.33Å; E10-M12 PolarHBondContact O-N 3.02Å; E10-K13 PolarHBondContact O-N 3.17Å; E10-K14 WeakPolarHBondContact O-CG 3.46Å; E10-K14 PolarHBondContact O-N 3.46Å; E10-K14 VanDerWaalsContact O-N 3.07Å; E10-K14 VanDerWaalsContact OE1-CE 3.29Å; E10-K14 WeakPolarHBondContact OE1-CE 3.39Å; E10-K14 IonicContact OE1-NZ 3.34Å; E10-K14 PolarHBondContact OE1-NZ 3.11Å
11	Y	86.5	Confident	76.6	Confident	40 Å²	40	42 Å²	42	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-48.5	170.5	164.3	-107	0	0	0	110.9	T7 L8 K13 K14 R15 F380 I384 L468	T7-Y11 PolarHBondContact O-N 2.94Å; T7-Y11 VanDerWaalsContact O-N 3.12Å; L8-Y11 HydrophobicContact CD1-CD1 4.05Å; L8-Y11 WeakPolarHBondContact O-CB 3.41Å; L8-Y11 PolarHBondContact O-N 3.41Å; L8-Y11 VanDerWaalsContact O-N 3.07Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.32Å; Y11-K14 PolarHBondContact O-N 2.9Å; Y11-K14 VanDerWaalsContact O-N 3.1Å; Y11-R15 WeakPolarHBondContact O-CB 3.46Å; Y11-R15 PolarHBondContact O-N 2.82Å; Y11-F380 HydrophobicContact CD1-CE2 4.37Å; Y11-F380 HydrophobicContact CE1-CD2 4.35Å; Y11-F380 HydrophobicContact CE1-CE2 4.16Å; Y11-I384 HydrophobicContact CE1-CG1 4.37Å; Y11-I384 VanDerWaalsContact OH-CG1 3.26Å; Y11-I384 WeakPolarHBondContact OH-CG1 3.39Å; Y11-L468 HydrophobicContact CD2-CD2 3.71Å; Y11-L468 HydrophobicContact CE2-CD2 3.62Å; Y11-L468 WeakPolarHBondContact CE2-O 3.48Å; Y11-L468 PolarHBondContact OH-O 2.92Å
12	M	88.7	Confident	78.9	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-66.3	-37	-176.9	-62.7	-66.3	-86	0	0	111.7	L8 P9 E10 R15 F16 I21 L25 V379 F380 A383	L8-M12 HydrophobicContact CD1-CG 4.05Å; L8-M12 HydrophobicContact CD1-SD 4.46Å; L8-M12 HydrophobicContact CG-CG 4.18Å; L8-M12 WeakPolarHBondContact O-CG 3.31Å; L8-M12 PolarHBondContact O-N 2.82Å; P9-M12 PolarHBondContact O-N 3.12Å; E10-M12 VanDerWaalsContact C-N 3.33Å; E10-M12 PolarHBondContact O-N 3.02Å; M12-R15 PolarHBondContact O-N 3.34Å; M12-F16 HydrophobicContact CE-CD2 4.37Å; M12-F16 HydrophobicContact CE-CE2 3.71Å; M12-F16 WeakPolarHBondContact O-CB 3.46Å; M12-F16 WeakPolarHBondContact O-CD2 3.29Å; M12-F16 PolarHBondContact O-N 3.29Å; M12-F16 HydrophobicContact SD-CE2 4.14Å; M12-I21 HydrophobicContact CB-CG2 3.98Å; M12-I21 HydrophobicContact CE-CG2 4.45Å; M12-L25 HydrophobicContact CB-CD1 3.9Å; M12-L25 HydrophobicContact CE-CD1 4.25Å; M12-L25 HydrophobicContact CG-CD1 3.58Å; M12-V379 HydrophobicContact CE-CG1 3.8Å; M12-F380 HydrophobicContact SD-CD2 4.42Å; M12-A383 HydrophobicContact CE-CB 4.34Å; M12-A383 HydrophobicContact SD-CB 4.15Å
13	K	86.5	Confident	81	Confident	74 Å²	74	40 Å²	40	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-40.4	170	165.7	161.5	169.3	177.6	0	113.1	P9 E10 Y11 G17 G18 N19 Q22	P9-K13 WeakPolarHBondContact O-CB 3.3Å; P9-K13 PolarHBondContact O-N 3.24Å; E10-K13 PolarHBondContact O-N 3.17Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.32Å; K13-G17 CarbonylContact O-C 3.58Å; K13-G17 WeakPolarHBondContact O-CA 3.09Å; K13-G17 PolarHBondContact O-N 2.99Å; K13-G18 WeakPolarHBondContact CG-O 3.48Å; K13-N19 PolarHBondContact NZ-OD1 3.33Å; K13-Q22 HydrophobicContact CB-CB 4.3Å
14	K	85.7	Confident	83	Confident	66 Å²	66	38.8 Å²	38.8	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-72.7	-36.7	177.4	-65.2	-178.1	-165.9	175.1	0	111.3	I3 Q4 V5 E10 Y11 L468	I3-K14 HydrophobicContact CG2-CD 3.64Å; Q4-K14 PolarHBondContact O-NZ 3.44Å; V5-K14 HydrophobicContact CG2-CD 3.85Å; E10-K14 WeakPolarHBondContact O-CG 3.46Å; E10-K14 PolarHBondContact O-N 3.46Å; E10-K14 VanDerWaalsContact O-N 3.07Å; E10-K14 VanDerWaalsContact OE1-CE 3.29Å; E10-K14 WeakPolarHBondContact OE1-CE 3.39Å; E10-K14 IonicContact OE1-NZ 3.34Å; E10-K14 PolarHBondContact OE1-NZ 3.11Å; Y11-K14 PolarHBondContact O-N 2.9Å; Y11-K14 VanDerWaalsContact O-N 3.1Å; K14-L468 HydrophobicContact CB-CD1 4.19Å; K14-L468 HydrophobicContact CB-CD2 3.99Å; K14-L468 WeakPolarHBondContact O-CD1 3.42Å
15	R	90.7	Very high	84.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70	-31.7	177.4	178.7	56.2	-170.9	90.4	-2.1	114.9	Y11 M12 A383 W386 K387 C389 Q464 L468	Y11-R15 WeakPolarHBondContact O-CB 3.46Å; Y11-R15 PolarHBondContact O-N 2.82Å; M12-R15 PolarHBondContact O-N 3.34Å; R15-A383 HydrophobicContact CG-CB 4.03Å; R15-A383 PolarHBondContact NE-O 2.81Å; R15-W386 PolarHBondContact NH2-O 2.7Å; R15-K387 PolarHBondContact NH2-O 3.18Å; R15-C389 PolarHBondContact NH1-O 3.03Å; R15-C389 PolarHBondContact NH2-O 2.93Å; R15-Q464 WeakPolarHBondContact CD-O 3.34Å; R15-L468 HydrophobicContact CB-CD2 4.3Å
16	F	90.1	Very high	85.6	Confident	4 Å²	4	31 Å²	31	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-118.5	-12.5	-175.3	-66.4	-65.5	0	0	0	114.6	M12 I21 V379 A383 C389 S390 E391 A394 Q464	M12-F16 HydrophobicContact CE-CD2 4.37Å; M12-F16 HydrophobicContact CE-CE2 3.71Å; M12-F16 WeakPolarHBondContact O-CB 3.46Å; M12-F16 WeakPolarHBondContact O-CD2 3.29Å; M12-F16 PolarHBondContact O-N 3.29Å; M12-F16 HydrophobicContact SD-CE2 4.14Å; F16-I21 HydrophobicContact CB-CD1 3.9Å; F16-I21 HydrophobicContact CD2-CD1 3.82Å; F16-I21 HydrophobicContact CG-CD1 3.89Å; F16-V379 HydrophobicContact CE2-CG1 4.5Å; F16-A383 HydrophobicContact CE2-CB 3.73Å; F16-A383 HydrophobicContact CZ-CB 3.63Å; F16-C389 HydrophobicContact CE1-CB 4.25Å; F16-S390 WeakPolarHBondContact CE1-O 3.11Å; F16-E391 HydrophobicContact CB-CB 3.98Å; F16-E391 HydrophobicContact CB-CG 3.98Å; F16-E391 HydrophobicContact CD1-CB 4.49Å; F16-E391 WeakPolarHBondContact O-CB 3.3Å; F16-A394 HydrophobicContact CD1-CB 4.29Å; F16-A394 HydrophobicContact CD2-CB 4.36Å; F16-A394 HydrophobicContact CE1-CB 3.89Å; F16-A394 HydrophobicContact CE2-CB 3.98Å; F16-A394 HydrophobicContact CZ-CB 3.72Å; F16-Q464 PolarHBondContact O-NE2 3.39Å; F16-Q464 VanDerWaalsContact O-NE2 3.09Å
17	G	83.6	Confident	86.9	Confident	20 Å²	20	31.3 Å²	31.3	21%	0.206	16%	0.16	C	C	.	.			trans	72.3	-175.1	-167.5	0	0	0	0	0	113	K13	K13-G17 CarbonylContact O-C 3.58Å; K13-G17 WeakPolarHBondContact O-CA 3.09Å; K13-G17 PolarHBondContact O-N 2.99Å
18	G	82.5	Confident	87.8	Confident	48 Å²	48	31.4 Å²	31.4	50%	0.495	16%	0.161	S	C	.	.	S	Bend	trans	66.8	-162.5	178.1	0	0	0	0	0	114.2	K13	K13-G18 WeakPolarHBondContact CG-O 3.48Å
19	N	84.2	Confident	88.2	Confident	46 Å²	46	31.3 Å²	31.3	25%	0.246	16%	0.161	C	C	.	.	S	Bend	trans	-135.6	-1.4	174.4	-51	-93.5	0	0	0	112.4	K13 Q22 M23 K321	K13-N19 PolarHBondContact NZ-OD1 3.33Å; N19-Q22 PolarHBondContact O-N 3.31Å; N19-M23 VanDerWaalsContact O-CG 3.27Å; N19-M23 WeakPolarHBondContact O-CG 3.38Å; N19-M23 PolarHBondContact O-N 2.84Å; N19-K321 HydrophobicContact CB-CD 4.34Å; N19-K321 PolarHBondContact ND2-NZ 2.78Å; N19-K321 VanDerWaalsContact ND2-NZ 3.13Å; N19-K321 PolarHBondContact OD1-NZ 2.9Å
20	R	90.7	Very high	88.7	Confident	160 Å²	160	31.8 Å²	31.8	60%	0.604	16%	0.163	S	C	*	.	H	α-helix	trans	-66.5	-51.3	-173.1	-68.3	177.6	177.2	168.5	-2.5	111.8	Q22 M23 Y24 F395	R20-Q22 VanDerWaalsContact C-N 3.32Å; R20-Q22 PolarHBondContact O-N 2.9Å; R20-M23 PolarHBondContact O-N 3.13Å; R20-Y24 WeakPolarHBondContact O-CB 3.45Å; R20-Y24 PolarHBondContact O-N 3.18Å; R20-F395 HydrophobicContact CB-CD2 3.93Å; R20-F395 HydrophobicContact CB-CE2 3.95Å
21	I	90.9	Very high	89.3	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-38.1	177.3	-61.8	171.6	0	0	0	111	M12 F16 Y24 L25 E391 A394 F395 L398	M12-I21 HydrophobicContact CB-CG2 3.98Å; M12-I21 HydrophobicContact CE-CG2 4.45Å; F16-I21 HydrophobicContact CB-CD1 3.9Å; F16-I21 HydrophobicContact CD2-CD1 3.82Å; F16-I21 HydrophobicContact CG-CD1 3.89Å; I21-Y24 PolarHBondContact O-N 2.87Å; I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 HydrophobicContact CG2-CG 4.23Å; I21-L25 WeakPolarHBondContact O-CB 3.42Å; I21-L25 VanDerWaalsContact O-CG 3.28Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 3.31Å; I21-E391 HydrophobicContact CD1-CG 3.99Å; I21-A394 HydrophobicContact CD1-CB 3.65Å; I21-F395 HydrophobicContact CG1-CB 4.25Å; I21-L398 HydrophobicContact CG2-CD1 3.93Å
22	Q	88	Confident	89.7	Confident	11 Å²	11	30.6 Å²	30.6	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-54.7	175.3	-170.9	-173.4	10.9	0	0	111.1	P9 K13 N19 R20 Y24 L25 A26 D317	P9-Q22 HydrophobicContact CB-CB 4.25Å; P9-Q22 HydrophobicContact CB-CG 3.49Å; P9-Q22 VanDerWaalsContact CB-CG 3.49Å; K13-Q22 HydrophobicContact CB-CB 4.3Å; N19-Q22 PolarHBondContact O-N 3.31Å; R20-Q22 VanDerWaalsContact C-N 3.32Å; R20-Q22 PolarHBondContact O-N 2.9Å; Q22-Y24 PolarHBondContact O-N 2.88Å; Q22-L25 PolarHBondContact O-N 3.38Å; Q22-A26 PolarHBondContact O-N 3.01Å; Q22-D317 HydrophobicContact CG-CB 4.24Å; Q22-D317 PolarHBondContact NE2-OD1 2.71Å
23	M	88.4	Confident	90	Very high	39 Å²	39	30.6 Å²	30.6	19%	0.192	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-45.2	178.5	-70	-69.4	-56.6	0	0	112	N19 R20 L25 A26 V27 D317 I318 K321 W322	N19-M23 VanDerWaalsContact O-CG 3.27Å; N19-M23 WeakPolarHBondContact O-CG 3.38Å; N19-M23 PolarHBondContact O-N 2.84Å; R20-M23 PolarHBondContact O-N 3.13Å; M23-L25 PolarHBondContact O-N 3.06Å; M23-A26 PolarHBondContact O-N 3.28Å; M23-V27 WeakPolarHBondContact O-CB 3.49Å; M23-V27 WeakPolarHBondContact O-CG2 3.21Å; M23-V27 PolarHBondContact O-N 2.91Å; M23-D317 VanDerWaalsContact SD-O 3.34Å; M23-I318 HydrophobicContact CE-CB 4.41Å; M23-I318 HydrophobicContact CE-CG1 4.15Å; M23-I318 HydrophobicContact CE-CG2 4.08Å; M23-I318 HydrophobicContact SD-CG1 4.24Å; M23-K321 HydrophobicContact SD-CB 4.33Å; M23-K321 HydrophobicContact SD-CG 4.31Å; M23-W322 HydrophobicContact CE-CZ2 4.17Å
24	Y	92.5	Very high	90.4	Very high	24 Å²	24	27.6 Å²	27.6	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-55.5	-50.9	175.9	172.8	-78.1	0	0	0	111	R20 I21 Q22 A26 V27 I28 L398 I399 L402	R20-Y24 WeakPolarHBondContact O-CB 3.45Å; R20-Y24 PolarHBondContact O-N 3.18Å; I21-Y24 PolarHBondContact O-N 2.87Å; Q22-Y24 PolarHBondContact O-N 2.88Å; Y24-A26 PolarHBondContact O-N 3.16Å; Y24-V27 PolarHBondContact O-N 3.41Å; Y24-I28 HydrophobicContact CD1-CG2 4.17Å; Y24-I28 HydrophobicContact CE1-CB 4.32Å; Y24-I28 HydrophobicContact CE1-CG2 3.8Å; Y24-I28 WeakPolarHBondContact O-CG2 3.26Å; Y24-I28 PolarHBondContact O-N 2.76Å; Y24-L398 HydrophobicContact CD1-CB 4.14Å; Y24-L398 HydrophobicContact CD1-CD1 3.73Å; Y24-L398 HydrophobicContact CD1-CD2 4.44Å; Y24-L398 HydrophobicContact CD1-CG 4.3Å; Y24-L398 HydrophobicContact CD2-CB 4.4Å; Y24-L398 HydrophobicContact CE1-CB 3.77Å; Y24-L398 HydrophobicContact CE1-CD1 3.93Å; Y24-L398 HydrophobicContact CE1-CD2 3.8Å; Y24-L398 HydrophobicContact CE1-CG 4.02Å; Y24-L398 HydrophobicContact CE2-CB 4Å; Y24-L398 HydrophobicContact CG-CB 4.48Å; Y24-L398 HydrophobicContact CG-CD1 4.38Å; Y24-L398 PolarHBondContact OH-O 3.47Å; Y24-L398 VanDerWaalsContact OH-O 3.13Å; Y24-I399 HydrophobicContact CD2-CD1 4.13Å; Y24-I399 HydrophobicContact CE2-CD1 4.25Å; Y24-L402 HydrophobicContact CE2-CB 4.06Å; Y24-L402 HydrophobicContact CE2-CD1 4.28Å; Y24-L402 HydrophobicContact CE2-CD2 3.94Å; Y24-L402 HydrophobicContact CE2-CG 4.32Å
25	L	91.8	Very high	90.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-67.3	-36.9	-175.6	-72.2	174.4	0	0	0	112.1	L8 P9 M12 I21 Q22 M23 S29 I376 L398	L8-L25 HydrophobicContact CD2-CD1 4.48Å; P9-L25 HydrophobicContact CB-CB 4.4Å; P9-L25 HydrophobicContact CG-CB 4.01Å; M12-L25 HydrophobicContact CB-CD1 3.9Å; M12-L25 HydrophobicContact CE-CD1 4.25Å; M12-L25 HydrophobicContact CG-CD1 3.58Å; I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 HydrophobicContact CG2-CG 4.23Å; I21-L25 WeakPolarHBondContact O-CB 3.42Å; I21-L25 VanDerWaalsContact O-CG 3.28Å; I21-L25 WeakPolarHBondContact O-CG 3.37Å; I21-L25 PolarHBondContact O-N 3.31Å; Q22-L25 PolarHBondContact O-N 3.38Å; M23-L25 PolarHBondContact O-N 3.06Å; L25-S29 VanDerWaalsContact O-CB 3.23Å; L25-S29 WeakPolarHBondContact O-CB 3.31Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 VanDerWaalsContact O-N 3.08Å; L25-S29 PolarHBondContact O-OG 3.23Å; L25-I376 HydrophobicContact CD2-CD1 4.46Å; L25-I376 HydrophobicContact CD2-CG1 4.29Å; L25-I376 HydrophobicContact CD2-CG2 3.75Å; L25-L398 HydrophobicContact CD2-CD1 4.43Å
26	A	90.4	Very high	90.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-49.9	173.3	0	0	0	0	0	111.2	Q22 M23 Y24 S29 L30 D317 I318	Q22-A26 PolarHBondContact O-N 3.01Å; M23-A26 PolarHBondContact O-N 3.28Å; Y24-A26 PolarHBondContact O-N 3.16Å; A26-S29 PolarHBondContact O-N 2.85Å; A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.47Å; A26-D317 HydrophobicContact CB-CB 3.82Å; A26-I318 HydrophobicContact CB-CD1 3.84Å; A26-I318 HydrophobicContact CB-CG1 3.81Å
27	V	92.3	Very high	90.9	Very high	66 Å²	66	26.7 Å²	26.7	40%	0.4	15%	0.145	S	C	.	.	H	α-helix	trans	-63	-47.4	-179.3	172.2	0	0	0	0	112	M23 Y24 S29 L30 L31 I318	M23-V27 WeakPolarHBondContact O-CB 3.49Å; M23-V27 WeakPolarHBondContact O-CG2 3.21Å; M23-V27 PolarHBondContact O-N 2.91Å; Y24-V27 PolarHBondContact O-N 3.41Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 2.88Å; V27-L30 PolarHBondContact O-N 3.41Å; V27-L31 HydrophobicContact CG1-CD1 4.16Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 2.83Å; V27-I318 HydrophobicContact CG2-CD1 3.95Å
28	I	93.1	Very high	91.4	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-33.4	179.6	-165.8	54.1	0	0	0	112.4	Y24 L31 L32 L372 I376 L402 F406	Y24-I28 HydrophobicContact CD1-CG2 4.17Å; Y24-I28 HydrophobicContact CE1-CB 4.32Å; Y24-I28 HydrophobicContact CE1-CG2 3.8Å; Y24-I28 WeakPolarHBondContact O-CG2 3.26Å; Y24-I28 PolarHBondContact O-N 2.76Å; I28-L31 HydrophobicContact CD1-CB 4.46Å; I28-L31 HydrophobicContact CD1-CD1 4.34Å; I28-L31 PolarHBondContact O-N 3.42Å; I28-L32 HydrophobicContact CG1-CD1 4.26Å; I28-L32 WeakPolarHBondContact O-CB 3.46Å; I28-L32 WeakPolarHBondContact O-CG 3.16Å; I28-L32 PolarHBondContact O-N 3.1Å; I28-L372 HydrophobicContact CD1-CD1 4.34Å; I28-I376 HydrophobicContact CG1-CD1 4.38Å; I28-I376 HydrophobicContact CG2-CD1 3.79Å; I28-L402 HydrophobicContact CD1-CD1 3.58Å; I28-L402 HydrophobicContact CG1-CD1 4.22Å; I28-F406 HydrophobicContact CD1-CE2 4.01Å
29	S	92.2	Very high	91.9	Very high	8 Å²	8	23.4 Å²	23.4	6%	0.056	11%	0.112	C	C	.	.	H	α-helix	trans	-65.8	-40.2	174.8	-59.9	0	0	0	0	111.5	L25 A26 V27 L32 Y33	L25-S29 VanDerWaalsContact O-CB 3.23Å; L25-S29 WeakPolarHBondContact O-CB 3.31Å; L25-S29 PolarHBondContact O-N 3.47Å; L25-S29 VanDerWaalsContact O-N 3.08Å; L25-S29 PolarHBondContact O-OG 3.23Å; A26-S29 PolarHBondContact O-N 2.85Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 2.88Å; S29-L32 PolarHBondContact O-N 2.84Å; S29-Y33 WeakPolarHBondContact O-CD1 3.13Å; S29-Y33 PolarHBondContact O-N 3.24Å
30	L	93.3	Very high	92.4	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.063	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-41.4	175.7	-69.4	167.6	0	0	0	111.9	A26 V27 Y33 I34 L313 F314 I318 F338	A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.47Å; V27-L30 PolarHBondContact O-N 3.41Å; L30-Y33 PolarHBondContact O-N 2.66Å; L30-I34 WeakPolarHBondContact O-CG1 3.17Å; L30-I34 PolarHBondContact O-N 2.76Å; L30-I34 VanDerWaalsContact O-N 3.16Å; L30-L313 HydrophobicContact CD2-CB 4.46Å; L30-F314 HydrophobicContact CD1-CD2 4.38Å; L30-I318 HydrophobicContact CD1-CD1 3.71Å; L30-F338 HydrophobicContact CD1-CE1 4.2Å; L30-F338 HydrophobicContact CD1-CZ 3.76Å; L30-F338 HydrophobicContact CD2-CE1 3.66Å; L30-F338 HydrophobicContact CD2-CZ 3.83Å; L30-F338 HydrophobicContact CG-CZ 4.26Å
31	L	93.8	Very high	92.5	Very high	56 Å²	56	15.4 Å²	15.4	29%	0.293	8%	0.081	S	C	.	.	H	α-helix	trans	-63	-44.9	173.1	-69.3	170.2	0	0	0	111.8	V27 I28 Y33 I34 F35 F406	V27-L31 HydrophobicContact CG1-CD1 4.16Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 2.83Å; I28-L31 HydrophobicContact CD1-CB 4.46Å; I28-L31 HydrophobicContact CD1-CD1 4.34Å; I28-L31 PolarHBondContact O-N 3.42Å; L31-Y33 VanDerWaalsContact C-N 3.27Å; L31-Y33 PolarHBondContact O-N 3.48Å; L31-I34 HydrophobicContact CD2-CD1 4.47Å; L31-I34 WeakPolarHBondContact O-CB 3.27Å; L31-I34 PolarHBondContact O-N 2.73Å; L31-F35 HydrophobicContact CB-CE2 4.17Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 WeakPolarHBondContact O-CG 3.29Å; L31-F35 PolarHBondContact O-N 2.98Å; L31-F35 VanDerWaalsContact O-N 3.09Å; L31-F406 HydrophobicContact CD1-CZ 4.24Å
32	L	93.9	Very high	92.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.9	-38.1	174.1	-80.6	164.6	0	0	0	112	I28 S29 F35 T36 W198 I368 L372 T373 I376	I28-L32 HydrophobicContact CG1-CD1 4.26Å; I28-L32 WeakPolarHBondContact O-CB 3.46Å; I28-L32 WeakPolarHBondContact O-CG 3.16Å; I28-L32 PolarHBondContact O-N 3.1Å; S29-L32 PolarHBondContact O-N 2.84Å; L32-F35 PolarHBondContact O-N 3.21Å; L32-T36 HydrophobicContact CD2-CG2 4.26Å; L32-T36 WeakPolarHBondContact O-CB 3.47Å; L32-T36 PolarHBondContact O-N 3.41Å; L32-T36 PolarHBondContact O-OG1 3.26Å; L32-W198 HydrophobicContact CD1-CH2 4.25Å; L32-W198 HydrophobicContact CD1-CZ2 3.69Å; L32-I368 HydrophobicContact CD2-CG2 4.48Å; L32-L372 HydrophobicContact CD2-CB 4.01Å; L32-L372 HydrophobicContact CD2-CD1 3.97Å; L32-L372 HydrophobicContact CG-CD1 4.45Å; L32-T373 HydrophobicContact CD1-CG2 3.93Å; L32-T373 HydrophobicContact CD2-CG2 4.03Å; L32-I376 HydrophobicContact CD1-CD1 4.39Å
33	Y	94.7	Very high	92.8	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-66.1	-36.6	176.9	-70.4	2.6	0	0	0	112.8	S29 L30 L31 K37 I38 M205 I306 S310 L313	S29-Y33 WeakPolarHBondContact O-CD1 3.13Å; S29-Y33 PolarHBondContact O-N 3.24Å; L30-Y33 PolarHBondContact O-N 2.66Å; L31-Y33 VanDerWaalsContact C-N 3.27Å; L31-Y33 PolarHBondContact O-N 3.48Å; Y33-K37 HydrophobicContact CD1-CD 3.61Å; Y33-K37 HydrophobicContact CD1-CG 4.22Å; Y33-K37 HydrophobicContact CE1-CD 3.84Å; Y33-K37 VanDerWaalsContact CE1-CE 3.49Å; Y33-K37 HydrophobicContact CG-CD 4.23Å; Y33-K37 PolarHBondContact O-N 3.09Å; Y33-I38 PolarHBondContact O-N 3.23Å; Y33-M205 WeakPolarHBondContact OH-CG 3.29Å; Y33-I306 HydrophobicContact CD2-CG2 4Å; Y33-I306 HydrophobicContact CG-CG2 4.32Å; Y33-S310 VanDerWaalsContact CD2-OG 3.3Å; Y33-S310 WeakPolarHBondContact CD2-OG 3.42Å; Y33-L313 HydrophobicContact CE2-CD1 4.03Å
34	I	94.8	Very high	92.9	Very high	12 Å²	12	14.9 Å²	14.9	6%	0.062	8%	0.083	C	C	.	.	I	π-helix	trans	-60.5	-52.6	170.9	-63.2	168.7	0	0	0	110	L30 L31 S39 L342 L345	L30-I34 WeakPolarHBondContact O-CG1 3.17Å; L30-I34 PolarHBondContact O-N 2.76Å; L30-I34 VanDerWaalsContact O-N 3.16Å; L31-I34 HydrophobicContact CD2-CD1 4.47Å; L31-I34 WeakPolarHBondContact O-CB 3.27Å; L31-I34 PolarHBondContact O-N 2.73Å; I34-S39 VanDerWaalsContact O-CB 3.31Å; I34-S39 WeakPolarHBondContact O-CB 3.46Å; I34-S39 PolarHBondContact O-OG 3.09Å; I34-L342 HydrophobicContact CD1-CD1 3.83Å; I34-L342 HydrophobicContact CG1-CD1 3.52Å; I34-L342 HydrophobicContact CG1-CG 4.32Å; I34-L345 HydrophobicContact CD1-CB 4.1Å; I34-L345 HydrophobicContact CD1-CD1 4.02Å
35	F	93	Very high	92.8	Very high	19 Å²	19	13.8 Å²	13.8	8%	0.083	8%	0.079	C	C	.	.	I	π-helix	trans	-78.5	-31.5	-169.9	-58.9	-43.7	0	0	0	114.8	L31 L32 S39 W349 Y364 I368 M409	L31-F35 HydrophobicContact CB-CE2 4.17Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 WeakPolarHBondContact O-CG 3.29Å; L31-F35 PolarHBondContact O-N 2.98Å; L31-F35 VanDerWaalsContact O-N 3.09Å; L32-F35 PolarHBondContact O-N 3.21Å; F35-S39 PolarHBondContact O-OG 3.45Å; F35-W349 AromaticContact CD1-CD2 3.7Å; F35-W349 HydrophobicContact CD1-CD2 3.7Å; F35-W349 AromaticContact CD1-CE2 3.45Å; F35-W349 VanDerWaalsContact CD1-CE2 3.45Å; F35-W349 HydrophobicContact CD1-CE3 4.22Å; F35-W349 HydrophobicContact CD1-CG 4.09Å; F35-W349 HydrophobicContact CD1-CH2 4.31Å; F35-W349 AromaticContact CD1-CZ2 3.79Å; F35-W349 HydrophobicContact CD1-CZ2 3.79Å; F35-W349 AromaticContact CD1-NE1 3.66Å; F35-W349 AromaticContact CE1-CD2 3.69Å; F35-W349 HydrophobicContact CE1-CD2 3.69Å; F35-W349 AromaticContact CE1-CE2 3.66Å; F35-W349 AromaticContact CE1-CE3 3.71Å; F35-W349 HydrophobicContact CE1-CE3 3.71Å; F35-W349 HydrophobicContact CE1-CG 4.44Å; F35-W349 AromaticContact CE1-CH2 3.74Å; F35-W349 HydrophobicContact CE1-CH2 3.74Å; F35-W349 AromaticContact CE1-CZ2 3.7Å; F35-W349 HydrophobicContact CE1-CZ2 3.7Å; F35-W349 AromaticContact CE1-CZ3 3.74Å; F35-W349 HydrophobicContact CE1-CZ3 3.74Å; F35-W349 HydrophobicContact CZ-CH2 4.44Å; F35-Y364 WeakPolarHBondContact O-CE1 3.32Å; F35-Y364 PolarHBondContact O-OH 2.96Å; F35-I368 HydrophobicContact CB-CD1 4.38Å; F35-I368 HydrophobicContact CB-CG2 4.15Å; F35-M409 HydrophobicContact CD2-CE 4.45Å; F35-M409 HydrophobicContact CD2-SD 4.42Å; F35-M409 HydrophobicContact CE2-CE 3.97Å; F35-M409 HydrophobicContact CZ-CE 4.41Å
36	T	92	Very high	92.8	Very high	16 Å²	16	13.7 Å²	13.7	10%	0.098	8%	0.078	C	C	.	.	I	π-helix	trans	-119.5	-13.4	-168.4	67.2	0	0	0	0	115.4	L32 V40 I368	L32-T36 HydrophobicContact CD2-CG2 4.26Å; L32-T36 WeakPolarHBondContact O-CB 3.47Å; L32-T36 PolarHBondContact O-N 3.41Å; L32-T36 PolarHBondContact O-OG1 3.26Å; T36-V40 WeakPolarHBondContact O-CG2 3.42Å; T36-I368 HydrophobicContact CG2-CB 3.84Å; T36-I368 HydrophobicContact CG2-CG2 3.44Å; T36-I368 VanDerWaalsContact CG2-CG2 3.44Å
37	K	92.9	Very high	92.7	Very high	15 Å²	15	15.1 Å²	15.1	7%	0.065	9%	0.086	C	C	.	.	I	π-helix	trans	-121.2	-61.1	-175.4	-60.7	-163.8	-178.6	176.8	0	113.4	Y33 N41 D203 M205 I306	Y33-K37 HydrophobicContact CD1-CD 3.61Å; Y33-K37 HydrophobicContact CD1-CG 4.22Å; Y33-K37 HydrophobicContact CE1-CD 3.84Å; Y33-K37 VanDerWaalsContact CE1-CE 3.49Å; Y33-K37 HydrophobicContact CG-CD 4.23Å; Y33-K37 PolarHBondContact O-N 3.09Å; K37-N41 WeakPolarHBondContact O-CB 3.29Å; K37-N41 VanDerWaalsContact O-CG 3.25Å; K37-N41 PolarHBondContact O-N 3.23Å; K37-N41 PolarHBondContact O-OD1 3.07Å; K37-D203 VanDerWaalsContact CE-OD2 3.28Å; K37-D203 WeakPolarHBondContact CE-OD2 3.31Å; K37-D203 IonicContact NZ-OD1 3.77Å; K37-D203 PolarHBondContact NZ-OD1 3.13Å; K37-D203 IonicContact NZ-OD2 3.64Å; K37-D203 PolarHBondContact NZ-OD2 3.32Å; K37-M205 HydrophobicContact CD-CE 4.24Å; K37-M205 HydrophobicContact CD-SD 4.22Å; K37-M205 PolarHBondContact NZ-SD 2.99Å; K37-M205 VanDerWaalsContact NZ-SD 3.41Å; K37-I306 HydrophobicContact CB-CD1 3.74Å; K37-I306 HydrophobicContact CB-CG1 4.27Å; K37-I306 HydrophobicContact CD-CD1 4.33Å; K37-I306 HydrophobicContact CD-CG1 4.07Å
38	I	94.1	Very high	92.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-73	-54.3	-171.2	-57.4	168.2	0	0	0	110.3	Y33 V40 N41 L42 L303 I306 F307 L342 S346	Y33-I38 PolarHBondContact O-N 3.23Å; I38-V40 VanDerWaalsContact C-N 3.29Å; I38-V40 PolarHBondContact O-N 3.2Å; I38-N41 PolarHBondContact O-N 3.28Å; I38-L42 HydrophobicContact CG2-CD1 3.9Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CB 3.27Å; I38-L42 VanDerWaalsContact O-CG 3.24Å; I38-L42 WeakPolarHBondContact O-CG 3.48Å; I38-L42 PolarHBondContact O-N 3.39Å; I38-L303 HydrophobicContact CG2-CD2 4.1Å; I38-I306 HydrophobicContact CD1-CG2 3.9Å; I38-I306 HydrophobicContact CG1-CG2 3.59Å; I38-F307 HydrophobicContact CD1-CD1 4.42Å; I38-F307 HydrophobicContact CD1-CE1 4.08Å; I38-F307 HydrophobicContact CG1-CE1 4.24Å; I38-F307 HydrophobicContact CG2-CE1 4.14Å; I38-L342 HydrophobicContact CD1-CD2 3.5Å; I38-L342 VanDerWaalsContact CD1-CD2 3.5Å; I38-L342 HydrophobicContact CD1-CG 3.68Å; I38-S346 WeakPolarHBondContact CB-OG 3.22Å; I38-S346 WeakPolarHBondContact CG2-OG 3.37Å
39	S	93.8	Very high	92.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.9	-43.2	178.3	55.8	0	0	0	0	111.8	I34 F35 Y43 S346	I34-S39 VanDerWaalsContact O-CB 3.31Å; I34-S39 WeakPolarHBondContact O-CB 3.46Å; I34-S39 PolarHBondContact O-OG 3.09Å; F35-S39 PolarHBondContact O-OG 3.45Å; S39-Y43 VanDerWaalsContact O-CB 3.3Å; S39-Y43 WeakPolarHBondContact O-CB 3.39Å; S39-Y43 PolarHBondContact O-N 3.47Å; S39-S346 WeakPolarHBondContact CB-O 3.48Å
40	V	93.3	Very high	91.9	Very high	8 Å²	8	13.4 Å²	13.4	5%	0.048	8%	0.077	C	C	.	.	H	α-helix	trans	-61.8	-51.7	176.4	173.5	0	0	0	0	112.5	T36 I38 L42 Y43 S44 M353 Y364 I365	T36-V40 WeakPolarHBondContact O-CG2 3.42Å; I38-V40 VanDerWaalsContact C-N 3.29Å; I38-V40 PolarHBondContact O-N 3.2Å; V40-L42 PolarHBondContact O-N 3.05Å; V40-Y43 PolarHBondContact O-N 2.72Å; V40-S44 WeakPolarHBondContact O-CB 3.48Å; V40-S44 PolarHBondContact O-N 3.02Å; V40-S44 PolarHBondContact O-OG 2.61Å; V40-S44 VanDerWaalsContact O-OG 3.05Å; V40-M353 HydrophobicContact CG2-SD 4Å; V40-Y364 HydrophobicContact CG2-CD1 4.15Å; V40-Y364 HydrophobicContact CG2-CE1 3.7Å; V40-I365 HydrophobicContact CG1-CD1 3.53Å; V40-I365 HydrophobicContact CG1-CG1 3.82Å; V40-I365 HydrophobicContact CG2-CG1 3.95Å
41	N	93.5	Very high	91.5	Very high	29 Å²	29	14.8 Å²	14.8	16%	0.155	8%	0.083	C	C	.	.	H	α-helix	trans	-64.2	-39.7	179.8	-79.3	12.3	0	0	0	111.9	K37 I38 S44 G45 D302 L303	K37-N41 WeakPolarHBondContact O-CB 3.29Å; K37-N41 VanDerWaalsContact O-CG 3.25Å; K37-N41 PolarHBondContact O-N 3.23Å; K37-N41 PolarHBondContact O-OD1 3.07Å; I38-N41 PolarHBondContact O-N 3.28Å; N41-S44 PolarHBondContact O-OG 3.22Å; N41-G45 PolarHBondContact O-N 3.06Å; N41-D302 WeakPolarHBondContact ND2-CB 3.41Å; N41-L303 HydrophobicContact CB-CD2 3.97Å; N41-L303 HydrophobicContact CB-CG 4.23Å
42	L	93.4	Very high	91.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.3	-45.4	176.3	-70.2	173.7	0	0	0	111.4	I38 V40 S46 L64 L65 L303 V347 I350	I38-L42 HydrophobicContact CG2-CD1 3.9Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CB 3.27Å; I38-L42 VanDerWaalsContact O-CG 3.24Å; I38-L42 WeakPolarHBondContact O-CG 3.48Å; I38-L42 PolarHBondContact O-N 3.39Å; V40-L42 PolarHBondContact O-N 3.05Å; L42-S46 WeakPolarHBondContact O-CB 3.32Å; L42-S46 PolarHBondContact O-N 3.37Å; L42-S46 PolarHBondContact O-OG 3.28Å; L42-L64 HydrophobicContact CD2-CD2 4.04Å; L42-L64 HydrophobicContact CD2-CG 4.27Å; L42-L65 HydrophobicContact CD1-CD1 4.36Å; L42-L65 HydrophobicContact CD1-CD2 3.9Å; L42-L65 HydrophobicContact CD1-CG 4.3Å; L42-L65 HydrophobicContact CD2-CD2 3.58Å; L42-L65 HydrophobicContact CD2-CG 3.71Å; L42-L65 HydrophobicContact CG-CD2 4.38Å; L42-L303 HydrophobicContact CD2-CD1 3.72Å; L42-L303 HydrophobicContact CG-CD1 4.43Å; L42-L303 HydrophobicContact CG-CD2 4.41Å; L42-V347 HydrophobicContact CD1-CG2 4Å; L42-I350 HydrophobicContact CB-CD1 4.07Å
43	Y	91.9	Very high	90.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72	-44.7	-178.8	178.7	-120.4	0	0	0	112.7	S39 V40 G45 S46 L47 T57 H266 I350 M353 Q354 L361	S39-Y43 VanDerWaalsContact O-CB 3.3Å; S39-Y43 WeakPolarHBondContact O-CB 3.39Å; S39-Y43 PolarHBondContact O-N 3.47Å; V40-Y43 PolarHBondContact O-N 2.72Å; Y43-G45 VanDerWaalsContact C-N 3.3Å; Y43-G45 PolarHBondContact O-N 3.02Å; Y43-S46 WeakPolarHBondContact CA-OG 3.35Å; Y43-S46 PolarHBondContact O-N 3.02Å; Y43-S46 PolarHBondContact O-OG 3.05Å; Y43-L47 HydrophobicContact CD1-CD1 4.21Å; Y43-L47 HydrophobicContact CD2-CG 4.32Å; Y43-L47 HydrophobicContact CE1-CD1 3.71Å; Y43-L47 HydrophobicContact CE1-CG 4.28Å; Y43-L47 HydrophobicContact CE2-CD1 4.24Å; Y43-L47 HydrophobicContact CE2-CD2 3.88Å; Y43-L47 HydrophobicContact CE2-CG 3.9Å; Y43-L47 WeakPolarHBondContact O-CG 3.4Å; Y43-L47 PolarHBondContact O-N 3.05Å; Y43-T57 HydrophobicContact CD2-CG2 4.29Å; Y43-T57 HydrophobicContact CE2-CG2 4.27Å; Y43-H266 PolarHBondContact OH-CE1 3.42Å; Y43-H266 VanDerWaalsContact OH-CE1 3.29Å; Y43-H266 PolarHBondContact OH-NE2 2.77Å; Y43-I350 HydrophobicContact CD2-CG2 4.1Å; Y43-I350 HydrophobicContact CG-CG2 4.41Å; Y43-M353 VanDerWaalsContact CB-CE 3.42Å; Y43-M353 HydrophobicContact CD1-CE 3.48Å; Y43-M353 VanDerWaalsContact CD1-CE 3.48Å; Y43-M353 HydrophobicContact CD1-SD 4.45Å; Y43-M353 HydrophobicContact CE1-CE 4.38Å; Y43-M353 HydrophobicContact CG-CE 3.61Å; Y43-Q354 HydrophobicContact CD2-CG 4.32Å; Y43-Q354 HydrophobicContact CE1-CG 4.41Å; Y43-Q354 HydrophobicContact CE2-CG 3.71Å; Y43-L361 HydrophobicContact CD1-CD1 3.55Å; Y43-L361 HydrophobicContact CD1-CD2 3.51Å; Y43-L361 HydrophobicContact CD1-CG 4.02Å; Y43-L361 HydrophobicContact CE1-CD1 3.65Å; Y43-L361 HydrophobicContact CE1-CD2 3.67Å; Y43-L361 HydrophobicContact CE1-CG 3.91Å
44	S	91	Very high	90.2	Very high	41 Å²	41	25.3 Å²	25.3	29%	0.287	14%	0.136	S	C	.	.	H	α-helix	trans	-62	-39.1	176	65.8	0	0	0	0	112	V40 N41 L47 F48	V40-S44 WeakPolarHBondContact O-CB 3.48Å; V40-S44 PolarHBondContact O-N 3.02Å; V40-S44 PolarHBondContact O-OG 2.61Å; V40-S44 VanDerWaalsContact O-OG 3.05Å; N41-S44 PolarHBondContact O-OG 3.22Å; S44-L47 PolarHBondContact O-N 3.06Å; S44-F48 PolarHBondContact O-N 2.8Å; S44-F48 VanDerWaalsContact O-N 3.14Å
45	G	90.5	Very high	89.6	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-39.9	170.7	0	0	0	0	0	113.3	N41 Y43 F48 L49	N41-G45 PolarHBondContact O-N 3.06Å; Y43-G45 VanDerWaalsContact C-N 3.3Å; Y43-G45 PolarHBondContact O-N 3.02Å; G45-F48 PolarHBondContact O-N 2.83Å; G45-L49 WeakPolarHBondContact O-CG 3.23Å; G45-L49 PolarHBondContact O-N 3.17Å
46	S	90.3	Very high	89.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-37.1	177.9	75.6	0	0	0	0	113.9	L42 Y43 L49 A50 T57	L42-S46 WeakPolarHBondContact O-CB 3.32Å; L42-S46 PolarHBondContact O-N 3.37Å; L42-S46 PolarHBondContact O-OG 3.28Å; Y43-S46 WeakPolarHBondContact CA-OG 3.35Å; Y43-S46 PolarHBondContact O-N 3.02Å; Y43-S46 PolarHBondContact O-OG 3.05Å; S46-L49 PolarHBondContact O-N 2.76Å; S46-A50 VanDerWaalsContact O-CB 3.25Å; S46-A50 WeakPolarHBondContact O-CB 3.4Å; S46-A50 PolarHBondContact O-N 2.88Å; S46-T57 WeakPolarHBondContact CB-O 3.37Å; S46-T57 WeakPolarHBondContact OG-CG2 3.49Å
47	L	88.2	Confident	89	Confident	31 Å²	31	34.3 Å²	34.3	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-44.3	173.7	-72.4	177	0	0	0	111	Y43 S44 A50 E51 N272 L361	Y43-L47 HydrophobicContact CD1-CD1 4.21Å; Y43-L47 HydrophobicContact CD2-CG 4.32Å; Y43-L47 HydrophobicContact CE1-CD1 3.71Å; Y43-L47 HydrophobicContact CE1-CG 4.28Å; Y43-L47 HydrophobicContact CE2-CD1 4.24Å; Y43-L47 HydrophobicContact CE2-CD2 3.88Å; Y43-L47 HydrophobicContact CE2-CG 3.9Å; Y43-L47 WeakPolarHBondContact O-CG 3.4Å; Y43-L47 PolarHBondContact O-N 3.05Å; S44-L47 PolarHBondContact O-N 3.06Å; L47-A50 PolarHBondContact O-N 3.48Å; L47-E51 PolarHBondContact O-N 3.33Å; L47-N272 HydrophobicContact CD1-CB 3.72Å; L47-L361 HydrophobicContact CD1-CD1 3.87Å
48	F	87.4	Confident	88.9	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-40.8	178.5	-174.8	-96.3	0	0	0	112.1	S44 G45 A52 P276 V279 L292 M295	S44-F48 PolarHBondContact O-N 2.8Å; S44-F48 VanDerWaalsContact O-N 3.14Å; G45-F48 PolarHBondContact O-N 2.83Å; F48-A52 WeakPolarHBondContact O-CB 3.37Å; F48-A52 PolarHBondContact O-N 3.1Å; F48-P276 HydrophobicContact CD2-CB 3.81Å; F48-P276 HydrophobicContact CD2-CG 3.93Å; F48-P276 HydrophobicContact CE2-CB 4.33Å; F48-V279 HydrophobicContact CE2-CB 4.48Å; F48-V279 HydrophobicContact CE2-CG1 4.44Å; F48-V279 HydrophobicContact CZ-CG1 4.3Å; F48-L292 HydrophobicContact CD1-CD2 4.46Å; F48-L292 HydrophobicContact CE1-CD2 3.39Å; F48-L292 HydrophobicContact CZ-CD2 3.52Å; F48-M295 HydrophobicContact CD1-CB 4.37Å; F48-M295 HydrophobicContact CD1-CE 4.11Å; F48-M295 HydrophobicContact CD2-CE 3.4Å; F48-M295 VanDerWaalsContact CD2-CE 3.4Å; F48-M295 HydrophobicContact CD2-SD 4.06Å; F48-M295 HydrophobicContact CE1-CB 3.95Å; F48-M295 HydrophobicContact CE1-CE 4.11Å; F48-M295 HydrophobicContact CE1-CG 4.48Å; F48-M295 HydrophobicContact CE1-SD 3.95Å; F48-M295 HydrophobicContact CE2-CE 3.44Å; F48-M295 VanDerWaalsContact CE2-CE 3.44Å; F48-M295 HydrophobicContact CE2-SD 3.42Å; F48-M295 WeakPolarHBondContact CE2-SD 3.3Å; F48-M295 HydrophobicContact CG-CE 3.76Å; F48-M295 HydrophobicContact CZ-CB 4.31Å; F48-M295 HydrophobicContact CZ-CE 3.79Å; F48-M295 HydrophobicContact CZ-CG 4.35Å; F48-M295 HydrophobicContact CZ-SD 3.34Å; F48-M295 WeakPolarHBondContact CZ-SD 3.49Å
49	L	87.9	Confident	88.8	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-68.4	-35.8	174	-74.3	169.7	0	0	0	113.2	G45 S46 A52 L53 S60 L296	G45-L49 WeakPolarHBondContact O-CG 3.23Å; G45-L49 PolarHBondContact O-N 3.17Å; S46-L49 PolarHBondContact O-N 2.76Å; L49-A52 PolarHBondContact O-N 3.3Å; L49-L53 HydrophobicContact CD2-CD1 3.79Å; L49-L53 WeakPolarHBondContact O-CB 3.5Å; L49-L53 PolarHBondContact O-N 2.92Å; L49-S60 WeakPolarHBondContact CB-OG 3.23Å; L49-L296 HydrophobicContact CD1-CD2 3.94Å; L49-L296 HydrophobicContact CD2-CD1 4.18Å; L49-L296 HydrophobicContact CD2-CD2 3.93Å; L49-L296 HydrophobicContact CD2-CG 4.21Å; L49-L296 HydrophobicContact CG-CD2 4.23Å
50	A	86.3	Confident	88.6	Confident	25 Å²	25	42.7 Å²	42.7	21%	0.207	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-44.7	175.5	0	0	0	0	0	111.2	S46 L47 E54 W55	S46-A50 VanDerWaalsContact O-CB 3.25Å; S46-A50 WeakPolarHBondContact O-CB 3.4Å; S46-A50 PolarHBondContact O-N 2.88Å; L47-A50 PolarHBondContact O-N 3.48Å; A50-E54 WeakPolarHBondContact O-CA 3.49Å; A50-E54 PolarHBondContact O-N 2.99Å; A50-W55 WeakPolarHBondContact CA-O 3.25Å; A50-W55 VanDerWaalsContact CB-O 3.27Å; A50-W55 WeakPolarHBondContact CB-O 3.24Å
51	E	85	Confident	88.5	Confident	41 Å²	41	42.4 Å²	42.4	19%	0.192	21%	0.213	C	C	.	.	H	α-helix	trans	-68.4	-37.6	174.6	-169	64.7	-158.3	0	0	112.2	L47 M273 P276 K277 I280	L47-E51 PolarHBondContact O-N 3.33Å; E51-M273 HydrophobicContact CG-CG 4.46Å; E51-M273 WeakPolarHBondContact OE2-CE 3.37Å; E51-M273 WeakPolarHBondContact OE2-CG 3.36Å; E51-P276 HydrophobicContact CB-CB 3.95Å; E51-P276 HydrophobicContact CG-CB 3.94Å; E51-K277 WeakPolarHBondContact OE1-CD 3.41Å; E51-K277 IonicContact OE1-NZ 3.94Å; E51-K277 PolarHBondContact OE1-NZ 3.38Å; E51-K277 VanDerWaalsContact OE1-NZ 3.17Å; E51-I280 HydrophobicContact CG-CG1 4.22Å
52	A	85.3	Confident	88.4	Confident	21 Å²	21	45.8 Å²	45.8	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-78.2	-30.2	-173.6	0	0	0	0	0	115.2	F48 L49 I280 L292	F48-A52 WeakPolarHBondContact O-CB 3.37Å; F48-A52 PolarHBondContact O-N 3.1Å; L49-A52 PolarHBondContact O-N 3.3Å; A52-I280 HydrophobicContact CB-CD1 3.68Å; A52-L292 HydrophobicContact CB-CD1 4.16Å; A52-L292 HydrophobicContact CB-CD2 3.48Å; A52-L292 VanDerWaalsContact CB-CD2 3.48Å; A52-L292 HydrophobicContact CB-CG 4.47Å
53	L	85.9	Confident	88.2	Confident	71 Å²	71	48.1 Å²	48.1	37%	0.372	24%	0.243	S	C	.	.	H	α-helix	trans	-128.6	2	-170.3	-57	174.5	0	0	0	112.9	L49 W55	L49-L53 HydrophobicContact CD2-CD1 3.79Å; L49-L53 WeakPolarHBondContact O-CB 3.5Å; L49-L53 PolarHBondContact O-N 2.92Å; L53-W55 HydrophobicContact CB-CD2 3.81Å; L53-W55 HydrophobicContact CB-CE3 4.41Å; L53-W55 HydrophobicContact CB-CG 3.83Å; L53-W55 HydrophobicContact CB-CZ2 4.46Å; L53-W55 HydrophobicContact CD1-CD2 3.9Å; L53-W55 HydrophobicContact CD1-CE3 3.72Å; L53-W55 HydrophobicContact CD1-CH2 3.66Å; L53-W55 HydrophobicContact CD1-CZ2 3.83Å; L53-W55 HydrophobicContact CD1-CZ3 3.59Å; L53-W55 PolarHBondContact O-N 3.3Å; L53-W55 PolarHBondContact O-NE1 3.49Å
54	E	82.6	Confident	88.1	Confident	186 Å²	186	48.1 Å²	48.1	87%	0.869	24%	0.243	S	C	*	.			trans	56.9	29.6	-175.6	-60.3	176.6	-165.7	0	0	112.9	A50	A50-E54 WeakPolarHBondContact O-CA 3.49Å; A50-E54 PolarHBondContact O-N 2.99Å
55	W	83.6	Confident	87.9	Confident	105 Å²	105	47.3 Å²	47.3	40%	0.398	24%	0.235	S	C	.	.			trans	-88.3	150.1	-177.9	-71.9	0.6	0	0	0	113	A50 L53 T57 L59 I63	A50-W55 WeakPolarHBondContact CA-O 3.25Å; A50-W55 VanDerWaalsContact CB-O 3.27Å; A50-W55 WeakPolarHBondContact CB-O 3.24Å; L53-W55 HydrophobicContact CB-CD2 3.81Å; L53-W55 HydrophobicContact CB-CE3 4.41Å; L53-W55 HydrophobicContact CB-CG 3.83Å; L53-W55 HydrophobicContact CB-CZ2 4.46Å; L53-W55 HydrophobicContact CD1-CD2 3.9Å; L53-W55 HydrophobicContact CD1-CE3 3.72Å; L53-W55 HydrophobicContact CD1-CH2 3.66Å; L53-W55 HydrophobicContact CD1-CZ2 3.83Å; L53-W55 HydrophobicContact CD1-CZ3 3.59Å; L53-W55 PolarHBondContact O-N 3.3Å; L53-W55 PolarHBondContact O-NE1 3.49Å; W55-T57 PolarHBondContact O-N 2.93Å; W55-L59 HydrophobicContact CG-CD2 4.49Å; W55-I63 HydrophobicContact CE3-CD1 3.83Å; W55-I63 HydrophobicContact CH2-CD1 4.08Å; W55-I63 HydrophobicContact CZ3-CD1 3.41Å; W55-I63 VanDerWaalsContact CZ3-CD1 3.41Å
56	N	87.4	Confident	87.7	Confident	102 Å²	102	50.7 Å²	50.7	55%	0.545	26%	0.258	S	S	.	.			trans	-60.9	131.8	171.5	-174.1	-56.7	0	0	0	110.8	W58 L59 S60	N56-W58 PolarHBondContact O-N 3.45Å; N56-W58 VanDerWaalsContact O-N 3.11Å; N56-W58 WeakPolarHBondContact OD1-CB 3.31Å; N56-W58 PolarHBondContact OD1-N 2.78Å; N56-L59 HydrophobicContact CB-CB 4.26Å; N56-L59 WeakPolarHBondContact O-CA 3.28Å; N56-L59 WeakPolarHBondContact O-CB 3.49Å; N56-L59 PolarHBondContact O-N 3.31Å; N56-S60 PolarHBondContact O-N 2.8Å; N56-S60 PolarHBondContact O-OG 2.76Å
57	T	85.1	Confident	87.4	Confident	30 Å²	30	53.9 Å²	53.9	18%	0.184	27%	0.274	C	S	.	.	H	α-helix	trans	-45.2	-44.1	177.8	-42.9	0	0	0	0	113.2	Y43 S46 W55 S60 I61	Y43-T57 HydrophobicContact CD2-CG2 4.29Å; Y43-T57 HydrophobicContact CE2-CG2 4.27Å; S46-T57 WeakPolarHBondContact CB-O 3.37Å; S46-T57 WeakPolarHBondContact OG-CG2 3.49Å; W55-T57 PolarHBondContact O-N 2.93Å; T57-S60 WeakPolarHBondContact O-CB 3.21Å; T57-S60 PolarHBondContact O-N 3.4Å; T57-I61 HydrophobicContact CG2-CD1 4.44Å; T57-I61 WeakPolarHBondContact O-CG1 3.25Å; T57-I61 PolarHBondContact O-N 3.41Å
58	W	90.7	Very high	87.2	Confident	106 Å²	106	52.4 Å²	52.4	40%	0.402	27%	0.267	S	S	.	.	H	α-helix	trans	-70.1	-36.2	179.9	-68.6	102.5	0	0	0	113.3	N56 S60 I61 I62 V347 I350 P351	N56-W58 PolarHBondContact O-N 3.45Å; N56-W58 VanDerWaalsContact O-N 3.11Å; N56-W58 WeakPolarHBondContact OD1-CB 3.31Å; N56-W58 PolarHBondContact OD1-N 2.78Å; W58-S60 VanDerWaalsContact C-N 3.35Å; W58-I61 HydrophobicContact CD2-CD1 4.43Å; W58-I61 HydrophobicContact CE3-CD1 3.95Å; W58-I61 HydrophobicContact CZ3-CD1 4.18Å; W58-I61 PolarHBondContact O-N 2.73Å; W58-I62 VanDerWaalsContact O-CG1 3.3Å; W58-I62 WeakPolarHBondContact O-CG1 3.45Å; W58-I62 PolarHBondContact O-N 2.91Å; W58-V347 HydrophobicContact CZ3-CG1 4.09Å; W58-I350 HydrophobicContact CH2-CB 4.38Å; W58-I350 HydrophobicContact CH2-CG2 4.4Å; W58-P351 HydrophobicContact CH2-CG 3.79Å; W58-P351 HydrophobicContact CZ2-CG 3.99Å
59	L	91.4	Very high	86.8	Confident	84 Å²	84	55.5 Å²	55.5	44%	0.44	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-44.7	173.2	179.4	63.2	0	0	0	110.2	W55 N56 I61 I62 I63	W55-L59 HydrophobicContact CG-CD2 4.49Å; N56-L59 HydrophobicContact CB-CB 4.26Å; N56-L59 WeakPolarHBondContact O-CA 3.28Å; N56-L59 WeakPolarHBondContact O-CB 3.49Å; N56-L59 PolarHBondContact O-N 3.31Å; L59-I61 PolarHBondContact O-N 2.71Å; L59-I62 PolarHBondContact O-N 2.91Å; L59-I63 HydrophobicContact CD1-CD1 4.01Å; L59-I63 HydrophobicContact CD1-CG1 4.36Å; L59-I63 HydrophobicContact CG-CD1 3.88Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 2.91Å
60	S	90.5	Very high	86.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-40.9	175.8	-61.6	0	0	0	0	112.8	L49 N56 T57 W58 L64	L49-S60 WeakPolarHBondContact CB-OG 3.23Å; N56-S60 PolarHBondContact O-N 2.8Å; N56-S60 PolarHBondContact O-OG 2.76Å; T57-S60 WeakPolarHBondContact O-CB 3.21Å; T57-S60 PolarHBondContact O-N 3.4Å; W58-S60 VanDerWaalsContact C-N 3.35Å; S60-L64 VanDerWaalsContact O-CB 3.31Å; S60-L64 WeakPolarHBondContact O-CB 3.44Å; S60-L64 PolarHBondContact O-N 2.91Å
61	I	91.1	Very high	85.6	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-47.2	173.6	-67	163.3	0	0	0	111	T57 W58 L59 I63 L64 L65 V347 I350	T57-I61 HydrophobicContact CG2-CD1 4.44Å; T57-I61 WeakPolarHBondContact O-CG1 3.25Å; T57-I61 PolarHBondContact O-N 3.41Å; W58-I61 HydrophobicContact CD2-CD1 4.43Å; W58-I61 HydrophobicContact CE3-CD1 3.95Å; W58-I61 HydrophobicContact CZ3-CD1 4.18Å; W58-I61 PolarHBondContact O-N 2.73Å; L59-I61 PolarHBondContact O-N 2.71Å; I61-I63 PolarHBondContact O-N 3.09Å; I61-L64 PolarHBondContact O-N 3.38Å; I61-L65 HydrophobicContact CG2-CD1 3.84Å; I61-L65 HydrophobicContact CG2-CG 4.42Å; I61-L65 WeakPolarHBondContact O-CB 3.34Å; I61-L65 WeakPolarHBondContact O-CG 3.16Å; I61-L65 PolarHBondContact O-N 3.12Å; I61-V347 HydrophobicContact CG2-CG2 4.5Å; I61-I350 HydrophobicContact CD1-CD1 3.76Å; I61-I350 HydrophobicContact CD1-CG2 4.36Å; I61-I350 HydrophobicContact CG1-CD1 4.44Å; I61-I350 HydrophobicContact CG2-CD1 4.49Å
62	I	91.3	Very high	84.9	Confident	100 Å²	100	61.8 Å²	61.8	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-42.5	-178.7	-69.3	164.5	0	0	0	111.2	W58 L59 L65 S66	W58-I62 VanDerWaalsContact O-CG1 3.3Å; W58-I62 WeakPolarHBondContact O-CG1 3.45Å; W58-I62 PolarHBondContact O-N 2.91Å; L59-I62 PolarHBondContact O-N 2.91Å; I62-L65 PolarHBondContact O-N 2.68Å; I62-S66 WeakPolarHBondContact O-CB 3.04Å; I62-S66 PolarHBondContact O-N 2.65Å; I62-S66 PolarHBondContact O-OG 2.81Å
63	I	89.1	Confident	83.9	Confident	50 Å²	50	61.8 Å²	61.8	26%	0.256	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-48.7	177.6	-69.5	170.8	0	0	0	110.4	W55 L59 I61 L65 S66 I67	W55-I63 HydrophobicContact CE3-CD1 3.83Å; W55-I63 HydrophobicContact CH2-CD1 4.08Å; W55-I63 HydrophobicContact CZ3-CD1 3.41Å; W55-I63 VanDerWaalsContact CZ3-CD1 3.41Å; L59-I63 HydrophobicContact CD1-CD1 4.01Å; L59-I63 HydrophobicContact CD1-CG1 4.36Å; L59-I63 HydrophobicContact CG-CD1 3.88Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 2.91Å; I61-I63 PolarHBondContact O-N 3.09Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.23Å; I63-S66 PolarHBondContact O-N 3.03Å; I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.5Å; I63-I67 WeakPolarHBondContact O-CG1 3.37Å; I63-I67 PolarHBondContact O-N 3.35Å
64	L	88.6	Confident	82.8	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-43	178.5	-178.2	60	0	0	0	111.7	L42 S60 I61 T68 L296 L299 I300 L303	L42-L64 HydrophobicContact CD2-CD2 4.04Å; L42-L64 HydrophobicContact CD2-CG 4.27Å; S60-L64 VanDerWaalsContact O-CB 3.31Å; S60-L64 WeakPolarHBondContact O-CB 3.44Å; S60-L64 PolarHBondContact O-N 2.91Å; I61-L64 PolarHBondContact O-N 3.38Å; L64-T68 VanDerWaalsContact O-CB 3.23Å; L64-T68 WeakPolarHBondContact O-CB 3.05Å; L64-T68 PolarHBondContact O-N 3.1Å; L64-T68 PolarHBondContact O-OG1 3.35Å; L64-L296 HydrophobicContact CD1-CD2 4.34Å; L64-L299 HydrophobicContact CD1-CB 4.08Å; L64-L299 HydrophobicContact CD2-CB 4.34Å; L64-I300 HydrophobicContact CD1-CG1 3.86Å; L64-L303 HydrophobicContact CD2-CD1 4.41Å; L64-L303 HydrophobicContact CG-CD1 4.3Å
65	L	88.2	Confident	81.9	Confident	23 Å²	23	55.1 Å²	55.1	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-42.3	175	-78.5	172.8	0	0	0	112.9	L42 I61 I62 I63 T68 T69 V343 V347	L42-L65 HydrophobicContact CD1-CD1 4.36Å; L42-L65 HydrophobicContact CD1-CD2 3.9Å; L42-L65 HydrophobicContact CD1-CG 4.3Å; L42-L65 HydrophobicContact CD2-CD2 3.58Å; L42-L65 HydrophobicContact CD2-CG 3.71Å; L42-L65 HydrophobicContact CG-CD2 4.38Å; I61-L65 HydrophobicContact CG2-CD1 3.84Å; I61-L65 HydrophobicContact CG2-CG 4.42Å; I61-L65 WeakPolarHBondContact O-CB 3.34Å; I61-L65 WeakPolarHBondContact O-CG 3.16Å; I61-L65 PolarHBondContact O-N 3.12Å; I62-L65 PolarHBondContact O-N 2.68Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 3.23Å; L65-T68 PolarHBondContact O-N 3.25Å; L65-T69 VanDerWaalsContact O-CB 3.28Å; L65-T69 WeakPolarHBondContact O-CB 3.03Å; L65-T69 PolarHBondContact O-N 2.86Å; L65-T69 PolarHBondContact O-OG1 3.06Å; L65-V343 HydrophobicContact CD1-CG1 4.15Å; L65-V343 HydrophobicContact CD2-CG1 3.58Å; L65-V343 HydrophobicContact CD2-CG2 4.49Å; L65-V347 HydrophobicContact CD1-CG2 3.61Å
66	S	85.9	Confident	81.1	Confident	72 Å²	72	51.9 Å²	51.9	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-47.4	-179.7	-60	0	0	0	0	111.2	I62 I63 T69 L70	I62-S66 WeakPolarHBondContact O-CB 3.04Å; I62-S66 PolarHBondContact O-N 2.65Å; I62-S66 PolarHBondContact O-OG 2.81Å; I63-S66 PolarHBondContact O-N 3.03Å; S66-T69 PolarHBondContact O-N 3.41Å; S66-L70 PolarHBondContact O-N 3.2Å; S66-L70 VanDerWaalsContact O-N 3.15Å
67	I	84.6	Confident	79.9	Confident	67 Å²	67	50.1 Å²	50.1	34%	0.344	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-46.6	177.5	-62.4	167.9	0	0	0	110.6	I63 T69 L70 I71 I300	I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.5Å; I63-I67 WeakPolarHBondContact O-CG1 3.37Å; I63-I67 PolarHBondContact O-N 3.35Å; I67-T69 VanDerWaalsContact C-N 3.32Å; I67-T69 PolarHBondContact O-N 3.22Å; I67-L70 PolarHBondContact O-N 3Å; I67-I71 HydrophobicContact CG2-CD1 3.85Å; I67-I71 PolarHBondContact O-N 3.13Å; I67-I71 VanDerWaalsContact O-N 3.08Å; I67-I300 HydrophobicContact CB-CD1 4.41Å; I67-I300 HydrophobicContact CG2-CD1 3.51Å; I67-I300 HydrophobicContact CG2-CG1 4.27Å
68	T	83.7	Confident	79	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-40.9	179.4	-56.6	0	0	0	0	111.6	L64 L65 I71 T72 L303 F307	L64-T68 VanDerWaalsContact O-CB 3.23Å; L64-T68 WeakPolarHBondContact O-CB 3.05Å; L64-T68 PolarHBondContact O-N 3.1Å; L64-T68 PolarHBondContact O-OG1 3.35Å; L65-T68 PolarHBondContact O-N 3.25Å; T68-I71 PolarHBondContact O-N 2.94Å; T68-T72 VanDerWaalsContact O-CB 3.29Å; T68-T72 WeakPolarHBondContact O-CB 3.24Å; T68-T72 PolarHBondContact O-N 3.33Å; T68-T72 PolarHBondContact O-OG1 3.19Å; T68-L303 HydrophobicContact CG2-CB 3.58Å; T68-L303 HydrophobicContact CG2-CD1 4.14Å; T68-F307 HydrophobicContact CG2-CD2 4.26Å; T68-F307 HydrophobicContact CG2-CE2 3.66Å
69	T	79.1	Confident	77.9	Confident	73 Å²	73	49.7 Å²	49.7	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-44.6	178.5	-58.1	0	0	0	0	110.9	L65 S66 I67 I71 T72 V73	L65-T69 VanDerWaalsContact O-CB 3.28Å; L65-T69 WeakPolarHBondContact O-CB 3.03Å; L65-T69 PolarHBondContact O-N 2.86Å; L65-T69 PolarHBondContact O-OG1 3.06Å; S66-T69 PolarHBondContact O-N 3.41Å; I67-T69 VanDerWaalsContact C-N 3.32Å; I67-T69 PolarHBondContact O-N 3.22Å; T69-I71 VanDerWaalsContact C-N 3.32Å; T69-I71 PolarHBondContact O-N 2.95Å; T69-T72 PolarHBondContact O-N 3.44Å; T69-V73 VanDerWaalsContact O-CG2 3.29Å; T69-V73 WeakPolarHBondContact O-CG2 3.35Å; T69-V73 PolarHBondContact O-N 2.84Å
70	L	77.2	Confident	76.8	Confident	110 Å²	110	46.2 Å²	46.2	58%	0.576	29%	0.291	S	S	*	.	H	α-helix	trans	-61	-39.9	177.9	-171.8	150.6	0	0	0	112.1	S66 I67 T74	S66-L70 PolarHBondContact O-N 3.2Å; S66-L70 VanDerWaalsContact O-N 3.15Å; I67-L70 PolarHBondContact O-N 3Å; L70-T74 PolarHBondContact O-OG1 3Å
71	I	71.2	Confident	76	Confident	67 Å²	67	49 Å²	49	34%	0.344	31%	0.306	S	S	.	.	H	α-helix	trans	-77.6	-35.3	178.4	-68.8	167.5	0	0	0	112.1	I67 T68 T69 V73 T74 G75 I300	I67-I71 HydrophobicContact CG2-CD1 3.85Å; I67-I71 PolarHBondContact O-N 3.13Å; I67-I71 VanDerWaalsContact O-N 3.08Å; T68-I71 PolarHBondContact O-N 2.94Å; T69-I71 VanDerWaalsContact C-N 3.32Å; T69-I71 PolarHBondContact O-N 2.95Å; I71-V73 VanDerWaalsContact C-N 3.28Å; I71-V73 PolarHBondContact O-N 3.05Å; I71-T74 PolarHBondContact O-N 3.02Å; I71-T74 PolarHBondContact O-OG1 3.24Å; I71-T74 VanDerWaalsContact O-OG1 3.05Å; I71-G75 PolarHBondContact O-N 3.07Å; I71-I300 HydrophobicContact CB-CG2 4.29Å; I71-I300 HydrophobicContact CD1-CG2 3.81Å; I71-I300 HydrophobicContact CG2-CG2 4.18Å
72	T	71	Confident	75.2	Confident	28 Å²	28	57.1 Å²	57.1	17%	0.172	34%	0.338	C	S	.	.	H	α-helix	trans	-65.6	-32.4	176.2	-58.7	0	0	0	0	111.7	T68 T69 F307	T68-T72 VanDerWaalsContact O-CB 3.29Å; T68-T72 WeakPolarHBondContact O-CB 3.24Å; T68-T72 PolarHBondContact O-N 3.33Å; T68-T72 PolarHBondContact O-OG1 3.19Å; T69-T72 PolarHBondContact O-N 3.44Å; T72-F307 HydrophobicContact CG2-CB 4.2Å; T72-F307 HydrophobicContact CG2-CD2 4.09Å
73	V	64.7	Low	74.5	Confident	21 Å²	21	55.9 Å²	55.9	13%	0.127	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-36.3	177.2	163.2	0	0	0	0	112.3	T69 I71 R336 W537 L538	T69-V73 VanDerWaalsContact O-CG2 3.29Å; T69-V73 WeakPolarHBondContact O-CG2 3.35Å; T69-V73 PolarHBondContact O-N 2.84Å; I71-V73 VanDerWaalsContact C-N 3.28Å; I71-V73 PolarHBondContact O-N 3.05Å; V73-R336 PolarHBondContact O-NH1 3.46Å; V73-R336 PolarHBondContact O-NH2 3.14Å; V73-R336 VanDerWaalsContact O-NH2 3.11Å; V73-W537 HydrophobicContact CG1-CD2 4.2Å; V73-W537 HydrophobicContact CG1-CE3 3.73Å; V73-W537 HydrophobicContact CG1-CH2 4.15Å; V73-W537 HydrophobicContact CG1-CZ3 3.69Å; V73-L538 HydrophobicContact CG1-CD2 4.26Å; V73-L538 HydrophobicContact CG2-CD2 4.05Å
74	T	62.8	Low	74.1	Confident	82 Å²	82	54.6 Å²	54.6	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-91	-27.8	-176.9	54.4	0	0	0	0	114.4	L70 I71 W537	L70-T74 PolarHBondContact O-OG1 3Å; I71-T74 PolarHBondContact O-N 3.02Å; I71-T74 PolarHBondContact O-OG1 3.24Å; I71-T74 VanDerWaalsContact O-OG1 3.05Å; T74-W537 HydrophobicContact CG2-CH2 3.75Å; T74-W537 HydrophobicContact CG2-CZ2 3.23Å
75	G	62.3	Low	73.9	Confident	35 Å²	35	58.2 Å²	58.2	36%	0.361	35%	0.351	S	S	.	.			trans	-80.8	163.4	-171.8	0	0	0	0	0	115.8	I71	I71-G75 PolarHBondContact O-N 3.07Å
76	G	66.3	Low	73.7	Confident	37 Å²	37	63.1 Å²	63.1	38%	0.381	38%	0.376	S	S	.	.			trans	-136.2	158	165.5	0	0	0	0	0	110.2	A78 A79 V80	G76-A78 PolarHBondContact O-N 2.88Å; G76-A79 WeakPolarHBondContact O-CB 3.27Å; G76-A79 PolarHBondContact O-N 3.05Å; G76-V80 PolarHBondContact O-N 2.89Å
77	L	62.3	Low	73.7	Confident	66 Å²	66	60.7 Å²	60.7	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-50.8	-37.3	-170.3	-175.8	64.7	0	0	0	113.9	V80 L81	L77-V80 PolarHBondContact O-N 2.94Å; L77-L81 HydrophobicContact CD1-CD1 3.84Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 WeakPolarHBondContact O-CD1 3.41Å; L77-L81 PolarHBondContact O-N 2.82Å; L77-L81 VanDerWaalsContact O-N 3.12Å
78	A	66.6	Low	73.9	Confident	69 Å²	69	60.6 Å²	60.6	57%	0.57	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-42.3	177.8	0	0	0	0	0	113.1	G76 V80 L81 Y82	G76-A78 PolarHBondContact O-N 2.88Å; A78-V80 VanDerWaalsContact C-N 3.33Å; A78-V80 PolarHBondContact O-N 3.12Å; A78-L81 PolarHBondContact O-N 2.73Å; A78-Y82 WeakPolarHBondContact O-CD2 3.16Å; A78-Y82 PolarHBondContact O-N 3.44Å
79	A	67.9	Low	74.3	Confident	57 Å²	57	66.9 Å²	66.9	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-41	178.1	0	0	0	0	0	111.2	G76 L81 Y82 T83	G76-A79 WeakPolarHBondContact O-CB 3.27Å; G76-A79 PolarHBondContact O-N 3.05Å; A79-L81 PolarHBondContact O-N 2.91Å; A79-Y82 PolarHBondContact O-N 3.1Å; A79-Y82 VanDerWaalsContact O-N 3.16Å; A79-T83 PolarHBondContact O-N 2.87Å; A79-T83 PolarHBondContact O-OG1 3.34Å
80	V	69.4	Low	74.8	Confident	12 Å²	12	65.7 Å²	65.7	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-59.3	-44.1	176.5	-176.3	0	0	0	0	111.3	G76 L77 A78 Y82 T83 D84 S301 T304 S305	G76-V80 PolarHBondContact O-N 2.89Å; L77-V80 PolarHBondContact O-N 2.94Å; A78-V80 VanDerWaalsContact C-N 3.33Å; A78-V80 PolarHBondContact O-N 3.12Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 3.07Å; V80-T83 WeakPolarHBondContact CA-OG1 3.47Å; V80-T83 PolarHBondContact O-N 2.66Å; V80-T83 PolarHBondContact O-OG1 2.8Å; V80-D84 WeakPolarHBondContact O-CB 3.34Å; V80-D84 PolarHBondContact O-N 3.5Å; V80-S301 WeakPolarHBondContact CG1-OG 3.31Å; V80-T304 HydrophobicContact CG2-CG2 3.74Å; V80-S305 VanDerWaalsContact CG1-OG 3.31Å; V80-S305 WeakPolarHBondContact CG1-OG 3.41Å
81	L	72.4	Confident	75.4	Confident	58 Å²	58	63.4 Å²	63.4	30%	0.304	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-33.7	176.7	-91.1	83	0	0	0	113.2	L77 A78 A79 T85	L77-L81 HydrophobicContact CD1-CD1 3.84Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 WeakPolarHBondContact O-CD1 3.41Å; L77-L81 PolarHBondContact O-N 2.82Å; L77-L81 VanDerWaalsContact O-N 3.12Å; A78-L81 PolarHBondContact O-N 2.73Å; A79-L81 PolarHBondContact O-N 2.91Å; L81-T85 WeakPolarHBondContact O-CB 3.44Å; L81-T85 PolarHBondContact O-N 3.36Å; L81-T85 PolarHBondContact O-OG1 2.98Å
82	Y	74.9	Confident	76.4	Confident	173 Å²	173	62.4 Å²	62.4	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-71.3	-42	176	-75.1	-67.7	0	0	0	111.9	A78 A79 V80 T85 L86	A78-Y82 WeakPolarHBondContact O-CD2 3.16Å; A78-Y82 PolarHBondContact O-N 3.44Å; A79-Y82 PolarHBondContact O-N 3.1Å; A79-Y82 VanDerWaalsContact O-N 3.16Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 3.07Å; Y82-T85 PolarHBondContact O-N 3.14Å; Y82-L86 PolarHBondContact O-N 3.41Å
83	T	76.3	Confident	77.5	Confident	73 Å²	73	66.4 Å²	66.4	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-65.8	-43.8	175.8	50	0	0	0	0	111.7	A79 V80 T85 L86 Q87	A79-T83 PolarHBondContact O-N 2.87Å; A79-T83 PolarHBondContact O-OG1 3.34Å; V80-T83 WeakPolarHBondContact CA-OG1 3.47Å; V80-T83 PolarHBondContact O-N 2.66Å; V80-T83 PolarHBondContact O-OG1 2.8Å; T83-T85 VanDerWaalsContact C-N 3.26Å; T83-T85 PolarHBondContact O-N 3.15Å; T83-L86 PolarHBondContact O-N 2.7Å; T83-Q87 WeakPolarHBondContact O-CB 3.43Å; T83-Q87 PolarHBondContact O-N 2.91Å
84	D	80.9	Confident	78.8	Confident	23 Å²	23	65.6 Å²	65.6	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-52.7	-44.6	173.3	-73.3	-13.8	0	0	0	111.6	V80 F88 R209 S301	V80-D84 WeakPolarHBondContact O-CB 3.34Å; V80-D84 PolarHBondContact O-N 3.5Å; D84-F88 WeakPolarHBondContact O-CB 3.11Å; D84-F88 PolarHBondContact O-N 2.93Å; D84-R209 IonicContact OD2-CZ 2.66Å; D84-R209 IonicContact OD2-NE 3.92Å; D84-R209 IonicContact OD2-NH2 3.05Å; D84-R209 PolarHBondContact OD2-NH2 3.46Å; D84-S301 VanDerWaalsContact OD1-CB 3.32Å; D84-S301 WeakPolarHBondContact OD1-CB 3.38Å; D84-S301 PolarHBondContact OD1-OG 3.43Å
85	T	84.2	Confident	80.3	Confident	77 Å²	77	62 Å²	62	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-42.7	-176.6	-58.2	0	0	0	0	112.1	L81 Y82 T83 F89	L81-T85 WeakPolarHBondContact O-CB 3.44Å; L81-T85 PolarHBondContact O-N 3.36Å; L81-T85 PolarHBondContact O-OG1 2.98Å; Y82-T85 PolarHBondContact O-N 3.14Å; T83-T85 VanDerWaalsContact C-N 3.26Å; T83-T85 PolarHBondContact O-N 3.15Å; T85-F89 HydrophobicContact CG2-CE2 4.25Å; T85-F89 WeakPolarHBondContact O-CD2 3.49Å
86	L	84.1	Confident	81.8	Confident	126 Å²	126	63.1 Å²	63.1	66%	0.66	35%	0.346	S	S	*	.	H	α-helix	trans	-67.4	-47.1	176.7	-70.7	173	0	0	0	111.2	Y82 T83 F88 F89 V90	Y82-L86 PolarHBondContact O-N 3.41Å; T83-L86 PolarHBondContact O-N 2.7Å; L86-F88 VanDerWaalsContact C-N 3.28Å; L86-F88 PolarHBondContact O-N 3Å; L86-F89 PolarHBondContact O-N 3.25Å; L86-V90 PolarHBondContact O-N 3.37Å
87	Q	86.4	Confident	83.2	Confident	20 Å²	20	62.9 Å²	62.9	9%	0.093	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-37	180	-174.8	-158.9	-68.4	0	0	112.2	T83 F89 V90 M91 V294 A297 A298	T83-Q87 WeakPolarHBondContact O-CB 3.43Å; T83-Q87 PolarHBondContact O-N 2.91Å; Q87-F89 PolarHBondContact O-N 3.46Å; Q87-V90 PolarHBondContact O-N 3.34Å; Q87-M91 HydrophobicContact CG-CE 4.1Å; Q87-M91 HydrophobicContact CG-CG 4.22Å; Q87-M91 HydrophobicContact CG-SD 4.16Å; Q87-M91 VanDerWaalsContact NE2-CE 3.32Å; Q87-M91 WeakPolarHBondContact O-CB 3.47Å; Q87-M91 WeakPolarHBondContact O-CG 3.29Å; Q87-M91 PolarHBondContact O-N 3.08Å; Q87-V294 HydrophobicContact CG-CG1 4.04Å; Q87-A297 VanDerWaalsContact OE1-C 3.28Å; Q87-A297 PolarHBondContact OE1-O 2.94Å; Q87-A298 VanDerWaalsContact OE1-N 3.16Å
88	F	89.1	Confident	84.8	Confident	65 Å²	65	59.7 Å²	59.7	29%	0.285	32%	0.32	S	S	.	.	H	α-helix	trans	-51.3	-50.9	173.6	163.6	-102.6	0	0	0	112.4	D84 L86 V90 M91 I92 I229	D84-F88 WeakPolarHBondContact O-CB 3.11Å; D84-F88 PolarHBondContact O-N 2.93Å; L86-F88 VanDerWaalsContact C-N 3.28Å; L86-F88 PolarHBondContact O-N 3Å; F88-V90 VanDerWaalsContact C-N 3.35Å; F88-V90 PolarHBondContact O-N 3.37Å; F88-M91 PolarHBondContact O-N 2.89Å; F88-I92 HydrophobicContact CD2-CG1 4Å; F88-I92 HydrophobicContact CE2-CD1 3.97Å; F88-I92 HydrophobicContact CE2-CG1 3.52Å; F88-I92 HydrophobicContact CZ-CG1 3.83Å; F88-I92 WeakPolarHBondContact O-CG1 3.26Å; F88-I92 PolarHBondContact O-N 2.86Å; F88-I229 HydrophobicContact CE2-CD1 4.38Å; F88-I229 HydrophobicContact CE2-CG2 3.85Å; F88-I229 HydrophobicContact CZ-CD1 3.88Å; F88-I229 HydrophobicContact CZ-CG2 4.21Å
89	F	91.2	Very high	86.2	Confident	133 Å²	133	57 Å²	57	58%	0.583	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-39.4	-179	-69.1	-72.3	0	0	0	112.3	T85 L86 Q87 I92 F93	T85-F89 HydrophobicContact CG2-CE2 4.25Å; T85-F89 WeakPolarHBondContact O-CD2 3.49Å; L86-F89 PolarHBondContact O-N 3.25Å; Q87-F89 PolarHBondContact O-N 3.46Å; F89-I92 PolarHBondContact O-N 3.01Å; F89-F93 WeakPolarHBondContact O-CB 3.49Å; F89-F93 PolarHBondContact O-N 2.6Å
90	V	90.5	Very high	87.6	Confident	48 Å²	48	58.8 Å²	58.8	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-71	-38.6	179.6	-168.3	0	0	0	0	111.7	L86 Q87 F88 F93 G94 L290 V294	L86-V90 PolarHBondContact O-N 3.37Å; Q87-V90 PolarHBondContact O-N 3.34Å; F88-V90 VanDerWaalsContact C-N 3.35Å; F88-V90 PolarHBondContact O-N 3.37Å; V90-F93 PolarHBondContact O-N 2.89Å; V90-G94 PolarHBondContact O-N 3.43Å; V90-L290 HydrophobicContact CG1-CD1 4.07Å; V90-L290 HydrophobicContact CG1-CD2 4.04Å; V90-L290 HydrophobicContact CG1-CG 4.06Å; V90-V294 HydrophobicContact CB-CG1 4.33Å; V90-V294 HydrophobicContact CB-CG2 4.09Å; V90-V294 HydrophobicContact CG1-CG1 4.37Å; V90-V294 HydrophobicContact CG1-CG2 3.54Å
91	M	89.5	Confident	89	Confident	62 Å²	62	60.6 Å²	60.6	31%	0.305	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-46.6	173.2	-74.7	-174	-57.4	0	0	111.7	Q87 F88 A95 V294 A298	Q87-M91 HydrophobicContact CG-CE 4.1Å; Q87-M91 HydrophobicContact CG-CG 4.22Å; Q87-M91 HydrophobicContact CG-SD 4.16Å; Q87-M91 VanDerWaalsContact NE2-CE 3.32Å; Q87-M91 WeakPolarHBondContact O-CB 3.47Å; Q87-M91 WeakPolarHBondContact O-CG 3.29Å; Q87-M91 PolarHBondContact O-N 3.08Å; F88-M91 PolarHBondContact O-N 2.89Å; M91-A95 WeakPolarHBondContact O-CB 3.43Å; M91-A95 PolarHBondContact O-N 3.27Å; M91-V294 HydrophobicContact CB-CG1 4.42Å; M91-V294 HydrophobicContact CG-CG1 3.41Å; M91-V294 VanDerWaalsContact CG-CG1 3.41Å; M91-A298 HydrophobicContact SD-CB 4.02Å
92	I	92.6	Very high	90.1	Very high	46 Å²	46	57.8 Å²	57.8	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-48.1	177.3	-67.8	-63.9	0	0	0	110.3	F88 F89 G94 A95 T96 I236	F88-I92 HydrophobicContact CD2-CG1 4Å; F88-I92 HydrophobicContact CE2-CD1 3.97Å; F88-I92 HydrophobicContact CE2-CG1 3.52Å; F88-I92 HydrophobicContact CZ-CG1 3.83Å; F88-I92 WeakPolarHBondContact O-CG1 3.26Å; F88-I92 PolarHBondContact O-N 2.86Å; F89-I92 PolarHBondContact O-N 3.01Å; I92-G94 PolarHBondContact O-N 3.19Å; I92-A95 PolarHBondContact O-N 3.28Å; I92-T96 WeakPolarHBondContact O-CB 3.49Å; I92-T96 PolarHBondContact O-N 2.79Å; I92-T96 PolarHBondContact O-OG1 3.5Å; I92-I236 HydrophobicContact CD1-CD1 3.71Å
93	F	92.9	Very high	91.2	Very high	112 Å²	112	52 Å²	52	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-56.5	-54	177.3	174.6	-102.5	0	0	0	112	F89 V90 A95 T96 V97 L287	F89-F93 WeakPolarHBondContact O-CB 3.49Å; F89-F93 PolarHBondContact O-N 2.6Å; V90-F93 PolarHBondContact O-N 2.89Å; F93-A95 PolarHBondContact O-N 3.43Å; F93-T96 PolarHBondContact O-N 2.95Å; F93-V97 HydrophobicContact CD2-CG2 4.49Å; F93-V97 HydrophobicContact CE1-CG2 4.22Å; F93-V97 HydrophobicContact CE2-CG2 4.1Å; F93-V97 HydrophobicContact CZ-CG2 3.95Å; F93-V97 WeakPolarHBondContact O-CG2 3.38Å; F93-V97 PolarHBondContact O-N 3.33Å; F93-L287 HydrophobicContact CE1-CD2 4.26Å
94	G	92.2	Very high	92.2	Very high	4 Å²	4	54.3 Å²	54.3	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-39.6	-177.2	0	0	0	0	0	113.6	V90 I92 V97 L98	V90-G94 PolarHBondContact O-N 3.43Å; I92-G94 PolarHBondContact O-N 3.19Å; G94-V97 PolarHBondContact O-N 2.77Å; G94-L98 WeakPolarHBondContact O-CB 3.47Å; G94-L98 PolarHBondContact O-N 3.26Å
95	A	93.8	Very high	93	Very high	6 Å²	6	60.1 Å²	60.1	5%	0.05	30%	0.303	C	S	.	.	H	α-helix	trans	-67.9	-36.1	174.7	0	0	0	0	0	112.2	M91 I92 F93 L98 T99 I236 Y275	M91-A95 WeakPolarHBondContact O-CB 3.43Å; M91-A95 PolarHBondContact O-N 3.27Å; I92-A95 PolarHBondContact O-N 3.28Å; F93-A95 PolarHBondContact O-N 3.43Å; A95-L98 PolarHBondContact O-N 3.49Å; A95-T99 WeakPolarHBondContact O-CB 3.42Å; A95-T99 PolarHBondContact O-N 3.28Å; A95-T99 PolarHBondContact O-OG1 2.99Å; A95-I236 HydrophobicContact CB-CB 4.02Å; A95-I236 HydrophobicContact CB-CD1 4.07Å; A95-I236 HydrophobicContact CB-CG1 4.39Å; A95-Y275 WeakPolarHBondContact CB-OH 3.37Å
96	T	94.8	Very high	93.6	Very high	58 Å²	58	57.2 Å²	57.2	36%	0.356	29%	0.285	S	S	.	.	H	α-helix	trans	-63.9	-44.6	171.8	-63.6	0	0	0	0	111.5	I92 F93 T99 I100	I92-T96 WeakPolarHBondContact O-CB 3.49Å; I92-T96 PolarHBondContact O-N 2.79Å; I92-T96 PolarHBondContact O-OG1 3.5Å; F93-T96 PolarHBondContact O-N 2.95Å; T96-T99 WeakPolarHBondContact O-CB 3.38Å; T96-T99 PolarHBondContact O-N 3.4Å; T96-I100 HydrophobicContact CG2-CD1 4.02Å; T96-I100 WeakPolarHBondContact O-CG1 3.29Å; T96-I100 PolarHBondContact O-N 3.25Å
97	V	95.5	Very high	94.1	Very high	32 Å²	32	53.9 Å²	53.9	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-46.5	175.6	178.6	0	0	0	0	111.2	F93 G94 T99 I100 L101 L287	F93-V97 HydrophobicContact CD2-CG2 4.49Å; F93-V97 HydrophobicContact CE1-CG2 4.22Å; F93-V97 HydrophobicContact CE2-CG2 4.1Å; F93-V97 HydrophobicContact CZ-CG2 3.95Å; F93-V97 WeakPolarHBondContact O-CG2 3.38Å; F93-V97 PolarHBondContact O-N 3.33Å; G94-V97 PolarHBondContact O-N 2.77Å; V97-T99 VanDerWaalsContact C-N 3.28Å; V97-T99 PolarHBondContact O-N 3.42Å; V97-I100 PolarHBondContact O-N 2.93Å; V97-L101 HydrophobicContact CG1-CD1 3.96Å; V97-L101 HydrophobicContact CG1-CG 4.31Å; V97-L101 WeakPolarHBondContact O-CG 3.44Å; V97-L101 PolarHBondContact O-N 2.9Å; V97-L287 HydrophobicContact CG1-CD1 3.89Å
98	L	95.5	Very high	94.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55	-46.2	175.1	-179	69.3	0	0	0	111.4	G94 A95 I100 L101 S102 Y275 L278 V279 L282 M283	G94-L98 WeakPolarHBondContact O-CB 3.47Å; G94-L98 PolarHBondContact O-N 3.26Å; A95-L98 PolarHBondContact O-N 3.49Å; L98-I100 PolarHBondContact O-N 2.69Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-S102 VanDerWaalsContact O-CB 3.32Å; L98-S102 WeakPolarHBondContact O-CB 3.12Å; L98-S102 PolarHBondContact O-N 3.36Å; L98-S102 PolarHBondContact O-OG 2.96Å; L98-Y275 HydrophobicContact CD2-CD2 4.32Å; L98-Y275 HydrophobicContact CD2-CE1 4.09Å; L98-Y275 HydrophobicContact CD2-CE2 3.61Å; L98-Y275 VanDerWaalsContact CD2-CZ 3.47Å; L98-Y275 WeakPolarHBondContact CD2-OH 3.27Å; L98-L278 HydrophobicContact CD1-CB 4.4Å; L98-L278 HydrophobicContact CD1-CD2 4.27Å; L98-L278 HydrophobicContact CD1-CG 4Å; L98-L278 WeakPolarHBondContact CD1-O 3.49Å; L98-L278 HydrophobicContact CD2-CD2 4.17Å; L98-L278 HydrophobicContact CG-CD2 4.14Å; L98-L278 HydrophobicContact CG-CG 4.42Å; L98-V279 HydrophobicContact CD1-CG2 4.32Å; L98-V279 HydrophobicContact CD2-CG2 3.61Å; L98-L282 HydrophobicContact CD1-CB 4.5Å; L98-M283 HydrophobicContact CB-SD 4.09Å; L98-M283 HydrophobicContact CD1-CG 3.64Å; L98-M283 HydrophobicContact CD1-SD 3.9Å; L98-M283 HydrophobicContact CG-SD 4.48Å
99	T	96.9	Very high	94.8	Very high	13 Å²	13	54.7 Å²	54.7	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-45	179.7	-59	0	0	0	0	111.6	A95 T96 V97 S102 F103 F235 I236 P240	A95-T99 WeakPolarHBondContact O-CB 3.42Å; A95-T99 PolarHBondContact O-N 3.28Å; A95-T99 PolarHBondContact O-OG1 2.99Å; T96-T99 WeakPolarHBondContact O-CB 3.38Å; T96-T99 PolarHBondContact O-N 3.4Å; V97-T99 VanDerWaalsContact C-N 3.28Å; V97-T99 PolarHBondContact O-N 3.42Å; T99-S102 PolarHBondContact O-N 3.3Å; T99-F103 HydrophobicContact CG2-CD2 3.76Å; T99-F103 HydrophobicContact CG2-CE2 3.61Å; T99-F103 VanDerWaalsContact O-CD2 3.26Å; T99-F103 WeakPolarHBondContact O-CD2 3.39Å; T99-F103 PolarHBondContact O-N 2.81Å; T99-F235 VanDerWaalsContact CG2-O 3.26Å; T99-F235 WeakPolarHBondContact CG2-O 3.2Å; T99-I236 WeakPolarHBondContact OG1-CA 3.27Å; T99-P240 HydrophobicContact CG2-CG 4.21Å; T99-P240 WeakPolarHBondContact OG1-CG 3.1Å
100	I	97	Very high	95	Very high	93 Å²	93	56.4 Å²	56.4	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-48.4	176.9	-67.5	164.5	0	0	0	110.7	T96 V97 L98 S102 F103 I104	T96-I100 HydrophobicContact CG2-CD1 4.02Å; T96-I100 WeakPolarHBondContact O-CG1 3.29Å; T96-I100 PolarHBondContact O-N 3.25Å; V97-I100 PolarHBondContact O-N 2.93Å; L98-I100 PolarHBondContact O-N 2.69Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 2.97Å; I100-F103 PolarHBondContact O-N 3.42Å; I100-I104 HydrophobicContact CG2-CD1 3.88Å; I100-I104 WeakPolarHBondContact O-CG1 2.93Å; I100-I104 PolarHBondContact O-N 3.45Å
101	L	97.2	Very high	95.2	Very high	50 Å²	50	55.1 Å²	55.1	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-39.1	177.8	-66.3	173.6	0	0	0	112	V97 L98 I104 K105	V97-L101 HydrophobicContact CG1-CD1 3.96Å; V97-L101 HydrophobicContact CG1-CG 4.31Å; V97-L101 WeakPolarHBondContact O-CG 3.44Å; V97-L101 PolarHBondContact O-N 2.9Å; L98-L101 PolarHBondContact O-N 2.89Å; L101-I104 PolarHBondContact O-N 3.15Å; L101-K105 WeakPolarHBondContact O-CG 2.93Å; L101-K105 PolarHBondContact O-N 3.01Å
102	S	97.4	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-45.2	177.4	-55.2	0	0	0	0	111.5	L98 T99 I100 K105 V106 L278	L98-S102 VanDerWaalsContact O-CB 3.32Å; L98-S102 WeakPolarHBondContact O-CB 3.12Å; L98-S102 PolarHBondContact O-N 3.36Å; L98-S102 PolarHBondContact O-OG 2.96Å; T99-S102 PolarHBondContact O-N 3.3Å; I100-S102 VanDerWaalsContact C-N 3.3Å; I100-S102 PolarHBondContact O-N 2.97Å; S102-K105 PolarHBondContact O-N 3.41Å; S102-V106 PolarHBondContact O-N 3.4Å; S102-L278 WeakPolarHBondContact OG-CD2 3.37Å
103	F	97.8	Very high	95.6	Very high	50 Å²	50	52.7 Å²	52.7	22%	0.219	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-38.8	174.5	-82.7	-58.6	0	0	0	112.6	T99 I100 K105 V106 G107 G108 F109 I239 I243	T99-F103 HydrophobicContact CG2-CD2 3.76Å; T99-F103 HydrophobicContact CG2-CE2 3.61Å; T99-F103 VanDerWaalsContact O-CD2 3.26Å; T99-F103 WeakPolarHBondContact O-CD2 3.39Å; T99-F103 PolarHBondContact O-N 2.81Å; I100-F103 PolarHBondContact O-N 3.42Å; F103-K105 VanDerWaalsContact C-N 3.32Å; F103-K105 PolarHBondContact O-N 2.84Å; F103-V106 HydrophobicContact CD1-CG1 4.36Å; F103-V106 PolarHBondContact O-N 3.24Å; F103-G107 PolarHBondContact O-N 3.13Å; F103-G108 PolarHBondContact O-N 3.02Å; F103-F109 HydrophobicContact CE1-CB 4.06Å; F103-F109 HydrophobicContact CE1-CD2 4.13Å; F103-F109 HydrophobicContact CZ-CD2 4.48Å; F103-I239 HydrophobicContact CE1-CG2 3.93Å; F103-I239 HydrophobicContact CE2-CG2 4.3Å; F103-I239 HydrophobicContact CZ-CG2 3.53Å; F103-I243 HydrophobicContact CD1-CD1 3.93Å; F103-I243 HydrophobicContact CE1-CD1 4.06Å; F103-I243 HydrophobicContact CG-CD1 4.3Å
104	I	97.6	Very high	95.5	Very high	123 Å²	123	50.6 Å²	50.6	63%	0.631	30%	0.297	S	S	*	.	H	α-helix	trans	-61	-42.9	174.4	-69.2	164.9	0	0	0	110.6	I100 L101	I100-I104 HydrophobicContact CG2-CD1 3.88Å; I100-I104 WeakPolarHBondContact O-CG1 2.93Å; I100-I104 PolarHBondContact O-N 3.45Å; L101-I104 PolarHBondContact O-N 3.15Å
105	K	96.4	Very high	95.7	Very high	145 Å²	145	52.3 Å²	52.3	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-67.7	-35.6	-179.9	-74.3	-71.5	-172.7	171.6	0	114.2	L101 S102 F103 L247 L282	L101-K105 WeakPolarHBondContact O-CG 2.93Å; L101-K105 PolarHBondContact O-N 3.01Å; S102-K105 PolarHBondContact O-N 3.41Å; F103-K105 VanDerWaalsContact C-N 3.32Å; F103-K105 PolarHBondContact O-N 2.84Å; K105-L247 HydrophobicContact CB-CD1 3.99Å; K105-L247 HydrophobicContact CB-CD2 4.3Å; K105-L282 HydrophobicContact CB-CD2 4.27Å; K105-L282 HydrophobicContact CG-CD2 3.85Å; K105-L282 HydrophobicContact CG-CG 4.19Å
106	V	96.1	Very high	95.8	Very high	16 Å²	16	53.2 Å²	53.2	10%	0.097	31%	0.313	C	S	.	.	H	α-helix	trans	-89.3	-6	-177.5	82.8	0	0	0	0	114	S102 F103 G108 G111 L112 I243 V246	S102-V106 PolarHBondContact O-N 3.4Å; F103-V106 HydrophobicContact CD1-CG1 4.36Å; F103-V106 PolarHBondContact O-N 3.24Å; V106-G108 WeakPolarHBondContact CG1-O 3.13Å; V106-G111 CarbonylContact O-C 3.37Å; V106-G111 WeakPolarHBondContact O-CA 3.5Å; V106-L112 HydrophobicContact CG1-CB 4.08Å; V106-L112 HydrophobicContact CG2-CB 4.24Å; V106-I243 HydrophobicContact CB-CG1 4.43Å; V106-I243 HydrophobicContact CB-CG2 3.91Å; V106-I243 HydrophobicContact CG1-CD1 4.07Å; V106-I243 HydrophobicContact CG1-CG1 4.1Å; V106-I243 HydrophobicContact CG1-CG2 4.36Å; V106-I243 HydrophobicContact CG2-CG2 4.25Å; V106-V246 HydrophobicContact CG2-CB 4.28Å; V106-V246 HydrophobicContact CG2-CG1 3.96Å
107	G	95.9	Very high	95.7	Very high	56 Å²	56	50.7 Å²	50.7	58%	0.577	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	34.9	-174.9	0	0	0	0	0	113.9	F103 G111	F103-G107 PolarHBondContact O-N 3.13Å; G107-G111 PolarHBondContact O-N 3.47Å
108	G	95.6	Very high	95.7	Very high	26 Å²	26	50.7 Å²	50.7	27%	0.268	30%	0.304	S	S	.	.	H	α-helix	trans	72.7	-173	-179.8	0	0	0	0	0	113.8	F103 V106 Q110 G111 L112	F103-G108 PolarHBondContact O-N 3.02Å; V106-G108 WeakPolarHBondContact CG1-O 3.13Å; G108-Q110 VanDerWaalsContact C-N 3.3Å; G108-Q110 PolarHBondContact O-N 2.99Å; G108-G111 PolarHBondContact O-N 3.46Å; G108-L112 PolarHBondContact O-N 3.42Å
109	F	94.4	Very high	95.7	Very high	75 Å²	75	50.8 Å²	50.8	33%	0.329	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-31.6	-176.5	-171.9	-110.8	0	0	0	113.2	F103 L112 L113 F172 I239 F606	F103-F109 HydrophobicContact CE1-CB 4.06Å; F103-F109 HydrophobicContact CE1-CD2 4.13Å; F103-F109 HydrophobicContact CZ-CD2 4.48Å; F109-L112 HydrophobicContact CD2-CD2 4.18Å; F109-L112 HydrophobicContact CE2-CD2 4.35Å; F109-L112 PolarHBondContact O-N 2.91Å; F109-L113 HydrophobicContact CD1-CD1 3.86Å; F109-L113 HydrophobicContact CD1-CG 4.32Å; F109-L113 HydrophobicContact CE1-CD1 3.63Å; F109-L113 HydrophobicContact CE1-CD2 4.35Å; F109-L113 HydrophobicContact CE1-CG 4.04Å; F109-L113 HydrophobicContact CZ-CD1 4.31Å; F109-L113 HydrophobicContact CZ-CD2 4.23Å; F109-L113 HydrophobicContact CZ-CG 4.26Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 3.38Å; F109-F172 HydrophobicContact CE2-CE1 4.44Å; F109-I239 HydrophobicContact CE2-CD1 4.39Å; F109-F606 AromaticContact CE1-CE1 3.77Å; F109-F606 HydrophobicContact CE1-CE1 3.77Å; F109-F606 AromaticContact CE1-CZ 3.86Å; F109-F606 HydrophobicContact CE1-CZ 3.86Å; F109-F606 AromaticContact CZ-CE1 3.78Å; F109-F606 HydrophobicContact CZ-CE1 3.78Å; F109-F606 AromaticContact CZ-CZ 3.74Å; F109-F606 HydrophobicContact CZ-CZ 3.74Å
110	Q	94.2	Very high	95.6	Very high	169 Å²	169	50.2 Å²	50.2	79%	0.79	30%	0.301	S	S	*	.	H	α-helix	trans	-67.4	-41.4	172.4	-71.6	-178.9	-15.7	0	0	112	G108 L113 G114	G108-Q110 VanDerWaalsContact C-N 3.3Å; G108-Q110 PolarHBondContact O-N 2.99Å; Q110-L113 PolarHBondContact O-N 2.92Å; Q110-G114 PolarHBondContact O-N 3.4Å
111	G	95	Very high	95.5	Very high	22 Å²	22	46 Å²	46	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-42.6	173	0	0	0	0	0	112.3	V106 G107 G108 G114 A115	V106-G111 CarbonylContact O-C 3.37Å; V106-G111 WeakPolarHBondContact O-CA 3.5Å; G107-G111 PolarHBondContact O-N 3.47Å; G108-G111 PolarHBondContact O-N 3.46Å; G111-G114 PolarHBondContact O-N 2.72Å; G111-A115 WeakPolarHBondContact O-CB 3.29Å; G111-A115 PolarHBondContact O-N 3.35Å
112	L	96.4	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-50.8	171.6	173.9	60.8	0	0	0	112.2	V106 G108 F109 G114 A115 Y116 F172 I239 M242 I243 V246	V106-L112 HydrophobicContact CG1-CB 4.08Å; V106-L112 HydrophobicContact CG2-CB 4.24Å; G108-L112 PolarHBondContact O-N 3.42Å; F109-L112 HydrophobicContact CD2-CD2 4.18Å; F109-L112 HydrophobicContact CE2-CD2 4.35Å; F109-L112 PolarHBondContact O-N 2.91Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 2.89Å; L112-A115 PolarHBondContact O-N 3.07Å; L112-Y116 HydrophobicContact CD1-CD2 3.98Å; L112-Y116 VanDerWaalsContact O-CB 3.23Å; L112-Y116 WeakPolarHBondContact O-CB 3.26Å; L112-Y116 PolarHBondContact O-N 3.12Å; L112-F172 HydrophobicContact CD1-CZ 4.47Å; L112-F172 HydrophobicContact CD2-CE1 4.2Å; L112-F172 HydrophobicContact CG-CE1 4.2Å; L112-F172 HydrophobicContact CG-CZ 4.05Å; L112-I239 HydrophobicContact CD2-CG2 3.68Å; L112-M242 HydrophobicContact CD1-CB 4.4Å; L112-I243 HydrophobicContact CD1-CG1 3.9Å; L112-I243 HydrophobicContact CD2-CD1 4.45Å; L112-I243 HydrophobicContact CD2-CG1 3.94Å; L112-I243 HydrophobicContact CG-CG1 4.36Å; L112-V246 HydrophobicContact CD1-CG2 3.85Å
113	L	93.8	Very high	95	Very high	56 Å²	56	46.8 Å²	46.8	29%	0.293	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-42.5	179.8	-74.5	170.2	0	0	0	112.4	F109 Q110 F172 F606	F109-L113 HydrophobicContact CD1-CD1 3.86Å; F109-L113 HydrophobicContact CD1-CG 4.32Å; F109-L113 HydrophobicContact CE1-CD1 3.63Å; F109-L113 HydrophobicContact CE1-CD2 4.35Å; F109-L113 HydrophobicContact CE1-CG 4.04Å; F109-L113 HydrophobicContact CZ-CD1 4.31Å; F109-L113 HydrophobicContact CZ-CD2 4.23Å; F109-L113 HydrophobicContact CZ-CG 4.26Å; F109-L113 WeakPolarHBondContact O-CG 3.29Å; F109-L113 PolarHBondContact O-N 3.38Å; Q110-L113 PolarHBondContact O-N 2.92Å; L113-F172 HydrophobicContact CD2-CD1 3.78Å; L113-F172 HydrophobicContact CD2-CD2 3.98Å; L113-F172 HydrophobicContact CD2-CE1 3.76Å; L113-F172 HydrophobicContact CD2-CE2 3.98Å; L113-F172 HydrophobicContact CD2-CG 3.89Å; L113-F172 HydrophobicContact CD2-CZ 3.87Å; L113-F606 HydrophobicContact CD1-CE1 4.36Å; L113-F606 HydrophobicContact CD2-CD1 4.06Å; L113-F606 HydrophobicContact CD2-CE1 3.99Å
114	G	92.3	Very high	94.7	Very high	69 Å²	69	47.2 Å²	47.2	71%	0.711	29%	0.288	S	S	*	.	H	α-helix	trans	-73	-38	179.1	0	0	0	0	0	113.8	Q110 G111 L112	Q110-G114 PolarHBondContact O-N 3.4Å; G111-G114 PolarHBondContact O-N 2.72Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 2.89Å
115	A	95.1	Very high	94.2	Very high	39 Å²	39	42 Å²	42	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-86.1	-25.3	-174.7	0	0	0	0	0	114	G111 L112 G117 G118 A119 V246	G111-A115 WeakPolarHBondContact O-CB 3.29Å; G111-A115 PolarHBondContact O-N 3.35Å; L112-A115 PolarHBondContact O-N 3.07Å; A115-G117 VanDerWaalsContact C-N 3.28Å; A115-G117 PolarHBondContact O-N 3.41Å; A115-G118 CarbonylContact O-C 3.57Å; A115-G118 PolarHBondContact O-N 2.89Å; A115-A119 PolarHBondContact O-N 3.05Å; A115-V246 HydrophobicContact CB-CG1 3.55Å
116	Y	96.3	Very high	93.7	Very high	26 Å²	26	38.4 Å²	38.4	10%	0.102	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-63.3	-30.5	-173.6	-165.4	-90.3	0	0	0	113.6	L112 G118 A119 P167 A171 F172 M242 R245 V246 I609	L112-Y116 HydrophobicContact CD1-CD2 3.98Å; L112-Y116 VanDerWaalsContact O-CB 3.23Å; L112-Y116 WeakPolarHBondContact O-CB 3.26Å; L112-Y116 PolarHBondContact O-N 3.12Å; Y116-G118 VanDerWaalsContact C-N 3.26Å; Y116-G118 PolarHBondContact O-N 3.23Å; Y116-A119 VanDerWaalsContact O-CB 3.29Å; Y116-A119 WeakPolarHBondContact O-CB 3.08Å; Y116-A119 PolarHBondContact O-N 3.26Å; Y116-P167 HydrophobicContact CD1-CB 3.99Å; Y116-P167 HydrophobicContact CE1-CB 3.64Å; Y116-P167 WeakPolarHBondContact O-CG 3.3Å; Y116-A171 HydrophobicContact CD1-CB 4.01Å; Y116-A171 HydrophobicContact CE1-CB 3.37Å; Y116-F172 HydrophobicContact CD1-CE2 4.02Å; Y116-F172 HydrophobicContact CD1-CZ 4.44Å; Y116-F172 HydrophobicContact CG-CE2 4.06Å; Y116-F172 HydrophobicContact CG-CZ 4.08Å; Y116-M242 HydrophobicContact CD2-CB 4.19Å; Y116-M242 HydrophobicContact CD2-CE 4.22Å; Y116-M242 HydrophobicContact CE1-CE 4.25Å; Y116-M242 HydrophobicContact CE2-CB 3.69Å; Y116-M242 HydrophobicContact CE2-CE 3.91Å; Y116-M242 HydrophobicContact CE2-CG 4.13Å; Y116-M242 WeakPolarHBondContact CE2-O 3.48Å; Y116-R245 HydrophobicContact CE2-CB 4.4Å; Y116-V246 HydrophobicContact CD2-CG2 3.78Å; Y116-V246 HydrophobicContact CG-CG2 4.46Å; Y116-I609 HydrophobicContact CD1-CD1 3.63Å; Y116-I609 HydrophobicContact CE1-CD1 4.24Å
117	G	94	Very high	93.2	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-64.4	-27.7	173.7	0	0	0	0	0	114.4	A115 I610 G612	A115-G117 VanDerWaalsContact C-N 3.28Å; A115-G117 PolarHBondContact O-N 3.41Å; G117-I610 VanDerWaalsContact CA-O 3.28Å; G117-I610 WeakPolarHBondContact CA-O 3.48Å; G117-G612 PolarHBondContact O-N 2.98Å
118	G	93.9	Very high	92.8	Very high	32 Å²	32	47.6 Å²	47.6	33%	0.33	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-96.1	8.7	175.4	0	0	0	0	0	114.3	A115 Y116 I120	A115-G118 CarbonylContact O-C 3.57Å; A115-G118 PolarHBondContact O-N 2.89Å; Y116-G118 VanDerWaalsContact C-N 3.26Å; Y116-G118 PolarHBondContact O-N 3.23Å; G118-I120 PolarHBondContact O-N 3.08Å
119	A	95.6	Very high	92.4	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	29%	0.285	C	S	.	.			trans	-78.2	64.8	179.8	0	0	0	0	0	111.9	A115 Y116 R245 V246	A115-A119 PolarHBondContact O-N 3.05Å; Y116-A119 VanDerWaalsContact O-CB 3.29Å; Y116-A119 WeakPolarHBondContact O-CB 3.08Å; Y116-A119 PolarHBondContact O-N 3.26Å; A119-R245 HydrophobicContact CB-CG 4.14Å; A119-R245 PolarHBondContact O-NE 3.21Å; A119-R245 VanDerWaalsContact O-NE 3.14Å; A119-V246 HydrophobicContact CB-CG2 4.14Å
120	I	95.5	Very high	92.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	27%	0.271	C	S	.	.			trans	-124.2	136.4	-173.5	-52.2	160.6	0	0	0	108.4	G118 L149 L166 I611 L614	G118-I120 PolarHBondContact O-N 3.08Å; I120-L149 HydrophobicContact CD1-CD2 3.87Å; I120-L166 HydrophobicContact CD1-CD2 3.62Å; I120-L166 HydrophobicContact CG1-CD2 3.92Å; I120-L166 HydrophobicContact CG2-CD2 4.09Å; I120-I611 HydrophobicContact CD1-CG2 4.09Å; I120-L614 HydrophobicContact CG2-CD1 3.65Å
121	A	94.6	Very high	91.7	Very high	5 Å²	5	44.4 Å²	44.4	4%	0.041	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-60.7	145.8	176.3	0	0	0	0	0	112.8	P249 N250 G253 F255	A121-P249 WeakPolarHBondContact CB-O 3.29Å; A121-N250 WeakPolarHBondContact CA-OD1 3.38Å; A121-G253 VanDerWaalsContact CB-O 3.32Å; A121-G253 WeakPolarHBondContact CB-O 3.48Å; A121-F255 HydrophobicContact CB-CD2 3.93Å; A121-F255 HydrophobicContact CB-CE2 3.89Å
122	E	93.1	Very high	91.5	Very high	54 Å²	54	48 Å²	48	25%	0.252	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-79.1	126.8	-176.6	-56.2	179	121.5	0	0	111.7	N250 P615 I617 R643	E122-N250 WeakPolarHBondContact CG-OD1 3.38Å; E122-N250 PolarHBondContact N-OD1 3.23Å; E122-N250 PolarHBondContact OE2-ND2 3.29Å; E122-P615 CarbonylContact C-O 2.71Å; E122-P615 WeakPolarHBondContact CA-O 3.48Å; E122-P615 HydrophobicContact CB-CB 4.44Å; E122-P615 HydrophobicContact CB-CG 4.31Å; E122-P615 HydrophobicContact CG-CB 3.9Å; E122-P615 HydrophobicContact CG-CG 3.73Å; E122-I617 HydrophobicContact CB-CD1 3.73Å; E122-I617 HydrophobicContact CB-CG1 4.22Å; E122-I617 VanDerWaalsContact CD-CD1 3.48Å; E122-I617 HydrophobicContact CG-CD1 4.15Å; E122-I617 WeakPolarHBondContact OE2-CD1 3.43Å; E122-R643 IonicContact OE1-CZ 3.75Å; E122-R643 IonicContact OE1-NE 2.77Å; E122-R643 IonicContact OE1-NH1 3.45Å; E122-R643 PolarHBondContact OE1-NH1 2.93Å
123	V	92.1	Very high	91.2	Very high	13 Å²	13	48.4 Å²	48.4	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	119	-178.6	177.7	0	0	0	0	110	I125 L133 F255 L614 P615 L616 I617	V123-I125 PolarHBondContact O-N 3.1Å; V123-L133 HydrophobicContact CG1-CD2 4.29Å; V123-L133 HydrophobicContact CG2-CD2 4.21Å; V123-F255 HydrophobicContact CG2-CE1 4.41Å; V123-F255 HydrophobicContact CG2-CE2 3.91Å; V123-F255 HydrophobicContact CG2-CZ 3.56Å; V123-L614 HydrophobicContact CG2-CD1 4.01Å; V123-L614 HydrophobicContact CG2-CD2 4.4Å; V123-L614 HydrophobicContact CG2-CG 4.41Å; V123-P615 PolarHBondContact N-O 2.92Å; V123-L616 HydrophobicContact CB-CD2 3.79Å; V123-L616 HydrophobicContact CG1-CD2 4.26Å; V123-L616 HydrophobicContact CG2-CD2 4.45Å; V123-L616 WeakPolarHBondContact O-CA 3.35Å; V123-I617 PolarHBondContact O-N 2.99Å
124	N	90.3	Very high	91	Very high	58 Å²	58	46.1 Å²	46.1	31%	0.31	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	98	175.1	179.4	14.9	0	0	0	110.7	S126 S127 I617	N124-S126 PolarHBondContact O-N 3.24Å; N124-S126 WeakPolarHBondContact OD1-CB 3.2Å; N124-S126 PolarHBondContact OD1-N 3.13Å; N124-S127 WeakPolarHBondContact O-CB 3.09Å; N124-S127 PolarHBondContact O-N 3.49Å; N124-S127 PolarHBondContact O-OG 3.03Å; N124-I617 CarbonylContact C-O 3.33Å; N124-I617 WeakPolarHBondContact CA-O 3.27Å
125	I	87.1	Confident	90.8	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.072	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.7	-179.6	65.2	143.5	0	0	0	113.6	V123 S127 L134 L616 I617 I623 F642	V123-I125 PolarHBondContact O-N 3.1Å; I125-S127 PolarHBondContact O-N 3.37Å; I125-L134 HydrophobicContact CB-CD2 4.43Å; I125-L134 HydrophobicContact CD1-CD2 4.25Å; I125-L134 HydrophobicContact CG2-CB 4.37Å; I125-L134 HydrophobicContact CG2-CD2 4.04Å; I125-L616 HydrophobicContact CG2-CB 4.09Å; I125-L616 HydrophobicContact CG2-CD1 4.3Å; I125-L616 HydrophobicContact CG2-CD2 4.15Å; I125-L616 HydrophobicContact CG2-CG 4.42Å; I125-I617 WeakPolarHBondContact CG1-O 3.41Å; I125-I617 PolarHBondContact N-O 2.93Å; I125-I623 HydrophobicContact CD1-CD1 3.89Å; I125-I623 HydrophobicContact CD1-CG1 4.19Å; I125-F642 HydrophobicContact CD1-CE1 3.75Å; I125-F642 HydrophobicContact CD1-CZ 4.36Å; I125-F642 HydrophobicContact CG1-CE1 4.4Å
126	S	85.7	Confident	90.6	Very high	69 Å²	69	44.2 Å²	44.2	48%	0.483	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.6	168.1	-55.2	0	0	0	0	112.6	N124	N124-S126 PolarHBondContact O-N 3.24Å; N124-S126 WeakPolarHBondContact OD1-CB 3.2Å; N124-S126 PolarHBondContact OD1-N 3.13Å
127	S	87.2	Confident	90.4	Very high	42 Å²	42	43 Å²	43	29%	0.294	23%	0.225	S	C	.	.	S	Bend	trans	-96.1	147.7	170.1	75.4	0	0	0	0	110.3	N124 I125 E129 G130 E131	N124-S127 WeakPolarHBondContact O-CB 3.09Å; N124-S127 PolarHBondContact O-N 3.49Å; N124-S127 PolarHBondContact O-OG 3.03Å; I125-S127 PolarHBondContact O-N 3.37Å; S127-E129 PolarHBondContact O-N 3Å; S127-G130 PolarHBondContact O-N 3.5Å; S127-G130 VanDerWaalsContact O-N 3.12Å; S127-G130 PolarHBondContact OG-N 2.98Å; S127-E131 WeakPolarHBondContact O-CB 3.47Å; S127-E131 PolarHBondContact O-N 3.34Å
128	R	86.4	Confident	90.1	Very high	223 Å²	223	42.9 Å²	42.9	84%	0.842	22%	0.223	S	C	*	.	H	α-helix	trans	-55.8	-35.2	179.3	-173.5	179.1	-179.2	-176	0.5	113.2	N132	R128-N132 VanDerWaalsContact O-CB 3.26Å; R128-N132 WeakPolarHBondContact O-CB 3.31Å; R128-N132 PolarHBondContact O-N 3.03Å; R128-N132 VanDerWaalsContact O-N 3.08Å
129	E	86.7	Confident	89.9	Confident	95 Å²	95	45.5 Å²	45.5	44%	0.444	23%	0.229	S	C	.	.	H	α-helix	trans	-70.4	-46.6	177.5	-65.1	-176.1	-136.6	0	0	111.5	S127 N132 L133 R161	S127-E129 PolarHBondContact O-N 3Å; E129-N132 PolarHBondContact O-N 3.34Å; E129-L133 WeakPolarHBondContact O-CB 3.4Å; E129-L133 PolarHBondContact O-N 2.98Å; E129-R161 IonicContact OE2-CZ 3.33Å; E129-R161 VanDerWaalsContact OE2-CZ 3.25Å; E129-R161 IonicContact OE2-NH1 3.63Å; E129-R161 PolarHBondContact OE2-NH1 3.06Å; E129-R161 IonicContact OE2-NH2 2.7Å; E129-R161 PolarHBondContact OE2-NH2 2.81Å
130	G	87.9	Confident	89.6	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-35.4	177.8	0	0	0	0	0	113.7	S127 L134	S127-G130 PolarHBondContact O-N 3.5Å; S127-G130 VanDerWaalsContact O-N 3.12Å; S127-G130 PolarHBondContact OG-N 2.98Å; G130-L134 WeakPolarHBondContact O-CB 3.42Å; G130-L134 PolarHBondContact O-N 3.43Å
131	E	87.1	Confident	89.2	Confident	105 Å²	105	46 Å²	46	49%	0.491	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-46.8	172	-168.9	-167.7	161.4	0	0	110.9	S127 L133 L134 N135	S127-E131 WeakPolarHBondContact O-CB 3.47Å; S127-E131 PolarHBondContact O-N 3.34Å; E131-L133 PolarHBondContact O-N 3.28Å; E131-L134 PolarHBondContact O-N 3.3Å; E131-N135 WeakPolarHBondContact O-CB 3.35Å; E131-N135 VanDerWaalsContact O-CG 3.3Å; E131-N135 PolarHBondContact O-N 3.32Å; E131-N135 PolarHBondContact O-ND2 3.34Å
132	N	89.9	Confident	88.8	Confident	98 Å²	98	51 Å²	51	52%	0.524	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-42.9	177.3	-173.9	56.8	0	0	0	111.9	R128 E129 N135 T136	R128-N132 VanDerWaalsContact O-CB 3.26Å; R128-N132 WeakPolarHBondContact O-CB 3.31Å; R128-N132 PolarHBondContact O-N 3.03Å; R128-N132 VanDerWaalsContact O-N 3.08Å; E129-N132 PolarHBondContact O-N 3.34Å; N132-N135 PolarHBondContact O-N 3.48Å; N132-T136 WeakPolarHBondContact O-CG2 3.47Å; N132-T136 PolarHBondContact O-N 3.34Å; N132-T136 PolarHBondContact O-OG1 2.94Å; N132-T136 VanDerWaalsContact O-OG1 3.12Å
133	L	90.6	Very high	88.5	Confident	8 Å²	8	56 Å²	56	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-43.7	175.3	179.7	56.8	0	0	0	111.9	V123 E129 E131 T136 M137 I158 D159 L162 F255	V123-L133 HydrophobicContact CG1-CD2 4.29Å; V123-L133 HydrophobicContact CG2-CD2 4.21Å; E129-L133 WeakPolarHBondContact O-CB 3.4Å; E129-L133 PolarHBondContact O-N 2.98Å; E131-L133 PolarHBondContact O-N 3.28Å; L133-T136 PolarHBondContact O-N 2.88Å; L133-T136 PolarHBondContact O-OG1 2.88Å; L133-T136 VanDerWaalsContact O-OG1 3.09Å; L133-M137 HydrophobicContact CD1-CG 4.23Å; L133-M137 HydrophobicContact CD1-SD 4.19Å; L133-M137 HydrophobicContact CG-SD 4.09Å; L133-M137 WeakPolarHBondContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CG 3.4Å; L133-M137 PolarHBondContact O-N 3.01Å; L133-I158 HydrophobicContact CD1-CG2 3.91Å; L133-D159 HydrophobicContact CD1-CB 4.03Å; L133-L162 HydrophobicContact CD1-CD2 4.21Å; L133-F255 HydrophobicContact CD2-CE1 4.28Å
134	L	89.2	Confident	88.2	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-43.7	176.3	179.3	58.5	0	0	0	111.6	I125 G130 E131 M137 I138 L616 I623 I631 F642	I125-L134 HydrophobicContact CB-CD2 4.43Å; I125-L134 HydrophobicContact CD1-CD2 4.25Å; I125-L134 HydrophobicContact CG2-CB 4.37Å; I125-L134 HydrophobicContact CG2-CD2 4.04Å; G130-L134 WeakPolarHBondContact O-CB 3.42Å; G130-L134 PolarHBondContact O-N 3.43Å; E131-L134 PolarHBondContact O-N 3.3Å; L134-M137 PolarHBondContact O-N 2.83Å; L134-I138 HydrophobicContact CD1-CD1 3.72Å; L134-I138 HydrophobicContact CD1-CG1 4.21Å; L134-I138 HydrophobicContact CG-CD1 3.76Å; L134-I138 WeakPolarHBondContact O-CD1 3.32Å; L134-I138 VanDerWaalsContact O-CG1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.27Å; L134-I138 PolarHBondContact O-N 3.4Å; L134-L616 HydrophobicContact CD1-CD1 3.81Å; L134-I623 HydrophobicContact CD2-CD1 4.09Å; L134-I631 HydrophobicContact CD2-CD1 4.35Å; L134-F642 HydrophobicContact CD2-CZ 4.16Å
135	N	89.2	Confident	87.9	Confident	42 Å²	42	63.2 Å²	63.2	23%	0.225	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-43.7	178.5	-73.1	-29.7	0	0	0	112	E131 N132 I138 L139	E131-N135 WeakPolarHBondContact O-CB 3.35Å; E131-N135 VanDerWaalsContact O-CG 3.3Å; E131-N135 PolarHBondContact O-N 3.32Å; E131-N135 PolarHBondContact O-ND2 3.34Å; N132-N135 PolarHBondContact O-N 3.48Å; N135-I138 PolarHBondContact O-N 2.98Å; N135-L139 VanDerWaalsContact O-CG 3.3Å; N135-L139 WeakPolarHBondContact O-CG 3.45Å; N135-L139 PolarHBondContact O-N 3.24Å
136	T	90.7	Very high	87.9	Confident	27 Å²	27	62.7 Å²	62.7	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-37.9	176.8	53.3	0	0	0	0	112.5	N132 L133 I138 L139 A140	N132-T136 WeakPolarHBondContact O-CG2 3.47Å; N132-T136 PolarHBondContact O-N 3.34Å; N132-T136 PolarHBondContact O-OG1 2.94Å; N132-T136 VanDerWaalsContact O-OG1 3.12Å; L133-T136 PolarHBondContact O-N 2.88Å; L133-T136 PolarHBondContact O-OG1 2.88Å; L133-T136 VanDerWaalsContact O-OG1 3.09Å; T136-I138 PolarHBondContact O-N 3.42Å; T136-L139 PolarHBondContact O-N 3.23Å; T136-A140 WeakPolarHBondContact O-CB 3.44Å; T136-A140 PolarHBondContact O-N 2.83Å
137	M	90.8	Very high	87.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-44.8	171.7	-74.6	174.8	76.1	0	0	112.4	L133 L134 A140 V141 L149 L152 I158 L162 L614 I640	L133-M137 HydrophobicContact CD1-CG 4.23Å; L133-M137 HydrophobicContact CD1-SD 4.19Å; L133-M137 HydrophobicContact CG-SD 4.09Å; L133-M137 WeakPolarHBondContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CG 3.4Å; L133-M137 PolarHBondContact O-N 3.01Å; L134-M137 PolarHBondContact O-N 2.83Å; M137-A140 PolarHBondContact O-N 2.65Å; M137-V141 WeakPolarHBondContact O-CG2 3.41Å; M137-V141 PolarHBondContact O-N 3.29Å; M137-L149 HydrophobicContact CE-CD1 3.87Å; M137-L152 HydrophobicContact CB-CD2 4.21Å; M137-L152 HydrophobicContact CE-CD2 3.51Å; M137-L152 HydrophobicContact CE-CG 4.35Å; M137-L152 HydrophobicContact CG-CD2 4.18Å; M137-L152 HydrophobicContact CG-CG 4.35Å; M137-I158 HydrophobicContact CG-CD1 3.96Å; M137-I158 HydrophobicContact CG-CG1 4.37Å; M137-L162 HydrophobicContact SD-CD2 4.25Å; M137-L614 HydrophobicContact CE-CD2 3.9Å; M137-L614 HydrophobicContact SD-CD2 3.86Å; M137-I640 HydrophobicContact CE-CG2 3.75Å
138	I	89.1	Confident	88	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-40.9	179.4	-71.4	163	0	0	0	111.4	L134 N135 T136 K142 Y627 Y630 I631 L634	L134-I138 HydrophobicContact CD1-CD1 3.72Å; L134-I138 HydrophobicContact CD1-CG1 4.21Å; L134-I138 HydrophobicContact CG-CD1 3.76Å; L134-I138 WeakPolarHBondContact O-CD1 3.32Å; L134-I138 VanDerWaalsContact O-CG1 3.27Å; L134-I138 WeakPolarHBondContact O-CG1 3.27Å; L134-I138 PolarHBondContact O-N 3.4Å; N135-I138 PolarHBondContact O-N 2.98Å; T136-I138 PolarHBondContact O-N 3.42Å; I138-K142 VanDerWaalsContact O-CB 3.32Å; I138-K142 WeakPolarHBondContact O-CB 3.33Å; I138-K142 PolarHBondContact O-N 3.3Å; I138-Y627 HydrophobicContact CD1-CG 4.48Å; I138-Y627 HydrophobicContact CG2-CD1 3.57Å; I138-Y627 HydrophobicContact CG2-CE1 4.06Å; I138-Y627 HydrophobicContact CG2-CG 4.2Å; I138-Y630 HydrophobicContact CG2-CD2 4.14Å; I138-Y630 HydrophobicContact CG2-CG 3.99Å; I138-I631 HydrophobicContact CD1-CD1 4.1Å; I138-I631 HydrophobicContact CD1-CG1 3.81Å; I138-I631 HydrophobicContact CG1-CG1 4.47Å; I138-L634 HydrophobicContact CG1-CD1 3.76Å
139	L	89.1	Confident	88.2	Confident	87 Å²	87	53.5 Å²	53.5	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-44	176	-70.4	170	0	0	0	111.8	N135 T136 V141 K142 E143	N135-L139 VanDerWaalsContact O-CG 3.3Å; N135-L139 WeakPolarHBondContact O-CG 3.45Å; N135-L139 PolarHBondContact O-N 3.24Å; T136-L139 PolarHBondContact O-N 3.23Å; L139-V141 PolarHBondContact O-N 2.99Å; L139-K142 WeakPolarHBondContact O-CB 3.43Å; L139-K142 PolarHBondContact O-N 3.42Å; L139-E143 PolarHBondContact O-N 3.4Å
140	A	89.3	Confident	88.4	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-43.2	177.1	0	0	0	0	0	112.3	T136 M137 K142 E143 K144 I146 L152 I158	T136-A140 WeakPolarHBondContact O-CB 3.44Å; T136-A140 PolarHBondContact O-N 2.83Å; M137-A140 PolarHBondContact O-N 2.65Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 2.89Å; A140-E143 PolarHBondContact O-N 2.92Å; A140-K144 WeakPolarHBondContact O-CB 3.35Å; A140-K144 PolarHBondContact O-N 3.45Å; A140-I146 HydrophobicContact CB-CD1 4.31Å; A140-L152 HydrophobicContact CB-CD1 3.82Å; A140-I158 HydrophobicContact CB-CD1 3.88Å
141	V	88	Confident	88.5	Confident	11 Å²	11	54.2 Å²	54.2	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-69.1	-27.7	175.2	170.3	0	0	0	0	112.9	M137 L139 K144 I146 L152 Y633 L634 M639	M137-V141 WeakPolarHBondContact O-CG2 3.41Å; M137-V141 PolarHBondContact O-N 3.29Å; L139-V141 PolarHBondContact O-N 2.99Å; V141-K144 CarbonylContact C-O 3.15Å; V141-K144 WeakPolarHBondContact CA-O 3.41Å; V141-I146 HydrophobicContact CG2-CB 4.35Å; V141-L152 HydrophobicContact CG2-CD1 3.71Å; V141-L152 HydrophobicContact CG2-CD2 3.95Å; V141-L152 HydrophobicContact CG2-CG 4.5Å; V141-Y633 HydrophobicContact CG1-CD1 3.57Å; V141-Y633 HydrophobicContact CG1-CE1 3.5Å; V141-Y633 VanDerWaalsContact CG1-CE1 3.5Å; V141-L634 HydrophobicContact CG2-CD2 3.81Å; V141-M639 HydrophobicContact CG2-CE 4.42Å
142	K	85.5	Confident	88.6	Confident	109 Å²	109	49.2 Å²	49.2	47%	0.474	25%	0.254	S	S	.	.	H	α-helix	trans	-72.7	-36.9	174.3	178.6	173.8	-176	-177.9	0	112.4	I138 L139 A140 Y630	I138-K142 VanDerWaalsContact O-CB 3.32Å; I138-K142 WeakPolarHBondContact O-CB 3.33Å; I138-K142 PolarHBondContact O-N 3.3Å; L139-K142 WeakPolarHBondContact O-CB 3.43Å; L139-K142 PolarHBondContact O-N 3.42Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 2.89Å; K142-Y630 HydrophobicContact CB-CD1 4.23Å; K142-Y630 HydrophobicContact CB-CE1 3.72Å; K142-Y630 HydrophobicContact CD-CE1 4.29Å; K142-Y630 HydrophobicContact CD-CE2 4.09Å; K142-Y630 WeakPolarHBondContact CD-OH 3.45Å; K142-Y630 WeakPolarHBondContact CE-OH 3.43Å; K142-Y630 HydrophobicContact CG-CE1 3.85Å; K142-Y630 WeakPolarHBondContact CG-OH 3.26Å
143	E	87.3	Confident	88.7	Confident	160 Å²	160	44.8 Å²	44.8	75%	0.748	23%	0.231	S	C	*	.	H	α-helix	trans	-81.7	-34.9	179.8	-170.8	177.3	173.7	0	0	112.4	L139 A140	L139-E143 PolarHBondContact O-N 3.4Å; A140-E143 PolarHBondContact O-N 2.92Å
144	K	85.2	Confident	88.6	Confident	88 Å²	88	47.1 Å²	47.1	38%	0.383	25%	0.248	S	C	.	.	S	Bend	trans	-129.1	134.1	-176.3	-63.8	174.6	172.4	-178.8	0	110.5	A140 V141 I146 E155	A140-K144 WeakPolarHBondContact O-CB 3.35Å; A140-K144 PolarHBondContact O-N 3.45Å; V141-K144 CarbonylContact C-O 3.15Å; V141-K144 WeakPolarHBondContact CA-O 3.41Å; K144-I146 HydrophobicContact CB-CD1 3.87Å; K144-I146 HydrophobicContact CB-CG1 3.78Å; K144-I146 HydrophobicContact CD-CD1 4.38Å; K144-I146 PolarHBondContact O-N 3.3Å; K144-E155 VanDerWaalsContact CD-OE1 3.24Å; K144-E155 WeakPolarHBondContact CD-OE1 3.26Å; K144-E155 IonicContact NZ-OE1 2.77Å; K144-E155 PolarHBondContact NZ-OE1 3.47Å; K144-E155 IonicContact NZ-OE2 3.25Å; K144-E155 PolarHBondContact NZ-OE2 3.39Å
145	N	84.6	Confident	88.7	Confident	133 Å²	133	48.4 Å²	48.4	71%	0.711	25%	0.254	S	S	*	.			trans	-73.8	65	177.7	-171.8	30.6	0	0	0	112	Y633	N145-Y633 PolarHBondContact OD1-OH 3.02Å
146	I	86.9	Confident	88.6	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.015	28%	0.282	C	S	.	.			trans	-79	132.7	-175.7	-67.8	165	0	0	0	110	A140 V141 K144 E151 L152 E155 Y633 M639	A140-I146 HydrophobicContact CB-CD1 4.31Å; V141-I146 HydrophobicContact CG2-CB 4.35Å; K144-I146 HydrophobicContact CB-CD1 3.87Å; K144-I146 HydrophobicContact CB-CG1 3.78Å; K144-I146 HydrophobicContact CD-CD1 4.38Å; K144-I146 PolarHBondContact O-N 3.3Å; I146-E151 HydrophobicContact CG1-CG 4.4Å; I146-E151 HydrophobicContact CG2-CB 4.05Å; I146-E151 HydrophobicContact CG2-CG 3.87Å; I146-L152 HydrophobicContact CD1-CD1 3.71Å; I146-L152 HydrophobicContact CG2-CB 3.74Å; I146-L152 HydrophobicContact CG2-CD1 4.16Å; I146-L152 HydrophobicContact CG2-CG 4.46Å; I146-E155 HydrophobicContact CD1-CG 3.8Å; I146-Y633 PolarHBondContact O-OH 3.27Å; I146-M639 HydrophobicContact CG2-SD 4.35Å; I146-M639 WeakPolarHBondContact O-CE 3.41Å
147	T	85.3	Confident	88.5	Confident	90 Å²	90	55.2 Å²	55.2	55%	0.552	30%	0.299	S	S	*	.			trans	-109.9	-12.5	-169.8	60.7	0	0	0	0	114.3	E151	T147-E151 PolarHBondContact N-OE2 2.89Å; T147-E151 PolarHBondContact OG1-OE2 3.45Å
148	S	89.5	Confident	88.5	Confident	49 Å²	49	55.7 Å²	55.7	34%	0.343	30%	0.301	S	S	.	.	S	Bend	trans	-139.2	149.4	-177	71.2	0	0	0	0	113.4	L150 E151 L152 M639	S148-L150 PolarHBondContact O-N 3.27Å; S148-E151 PolarHBondContact O-N 3.46Å; S148-E151 VanDerWaalsContact OG-CB 3.23Å; S148-E151 WeakPolarHBondContact OG-CB 3.32Å; S148-E151 PolarHBondContact OG-N 3Å; S148-L152 WeakPolarHBondContact O-CB 3.41Å; S148-L152 PolarHBondContact O-N 3.44Å; S148-M639 VanDerWaalsContact C-SD 3.53Å
149	L	90.9	Very high	88.4	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-32.5	179.1	177.8	62.1	0	0	0	112.6	I120 M137 S153 L162 L166 I611 L614 M639	I120-L149 HydrophobicContact CD1-CD2 3.87Å; M137-L149 HydrophobicContact CE-CD1 3.87Å; L149-S153 WeakPolarHBondContact O-CB 3.16Å; L149-S153 PolarHBondContact O-N 2.9Å; L149-S153 PolarHBondContact O-OG 3.41Å; L149-L162 HydrophobicContact CD1-CD2 4.4Å; L149-L166 HydrophobicContact CD2-CD2 3.94Å; L149-L166 HydrophobicContact CG-CD2 4.36Å; L149-I611 HydrophobicContact CD2-CG2 4.35Å; L149-L614 HydrophobicContact CD1-CB 4.03Å; L149-L614 HydrophobicContact CD1-CD2 4.47Å; L149-L614 HydrophobicContact CD2-CB 3.81Å; L149-M639 HydrophobicContact CB-CB 4.43Å; L149-M639 HydrophobicContact CB-CG 4.45Å
150	L	89.7	Confident	88.4	Confident	27 Å²	27	55.6 Å²	55.6	14%	0.141	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-43.6	179	-177.9	68.7	0	0	0	112.1	S148 L152 S153 S154 L166 R169 I611	S148-L150 PolarHBondContact O-N 3.27Å; L150-L152 VanDerWaalsContact C-N 3.29Å; L150-S153 WeakPolarHBondContact CA-OG 3.29Å; L150-S153 PolarHBondContact O-N 2.96Å; L150-S153 PolarHBondContact O-OG 3.47Å; L150-S154 PolarHBondContact O-N 3.08Å; L150-S154 VanDerWaalsContact O-N 3.07Å; L150-S154 PolarHBondContact O-OG 3.4Å; L150-L166 HydrophobicContact CD1-CD1 3.84Å; L150-R169 VanDerWaalsContact CD2-CD 3.42Å; L150-R169 HydrophobicContact CD2-CG 3.81Å; L150-I611 HydrophobicContact CB-CD1 4.42Å; L150-I611 HydrophobicContact CD1-CD1 4.15Å; L150-I611 HydrophobicContact CD2-CD1 4.22Å
151	E	90	Very high	88.3	Confident	87 Å²	87	57.7 Å²	57.7	41%	0.407	31%	0.312	S	S	.	.	H	α-helix	trans	-57.2	-47.3	172.4	-179.9	179.4	-146.7	0	0	109.7	I146 T147 S148 S153 S154	I146-E151 HydrophobicContact CG1-CG 4.4Å; I146-E151 HydrophobicContact CG2-CB 4.05Å; I146-E151 HydrophobicContact CG2-CG 3.87Å; T147-E151 PolarHBondContact N-OE2 2.89Å; T147-E151 PolarHBondContact OG1-OE2 3.45Å; S148-E151 PolarHBondContact O-N 3.46Å; S148-E151 VanDerWaalsContact OG-CB 3.23Å; S148-E151 WeakPolarHBondContact OG-CB 3.32Å; S148-E151 PolarHBondContact OG-N 3Å; E151-S153 PolarHBondContact O-N 2.95Å; E151-S154 WeakPolarHBondContact O-CB 3.4Å; E151-S154 PolarHBondContact O-N 2.72Å
152	L	90.6	Very high	88.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.3	-49.9	174.5	-166.8	53.3	0	0	0	112	M137 A140 V141 I146 S148 L150 S154 E155 I158 L634 M639	M137-L152 HydrophobicContact CB-CD2 4.21Å; M137-L152 HydrophobicContact CE-CD2 3.51Å; M137-L152 HydrophobicContact CE-CG 4.35Å; M137-L152 HydrophobicContact CG-CD2 4.18Å; M137-L152 HydrophobicContact CG-CG 4.35Å; A140-L152 HydrophobicContact CB-CD1 3.82Å; V141-L152 HydrophobicContact CG2-CD1 3.71Å; V141-L152 HydrophobicContact CG2-CD2 3.95Å; V141-L152 HydrophobicContact CG2-CG 4.5Å; I146-L152 HydrophobicContact CD1-CD1 3.71Å; I146-L152 HydrophobicContact CG2-CB 3.74Å; I146-L152 HydrophobicContact CG2-CD1 4.16Å; I146-L152 HydrophobicContact CG2-CG 4.46Å; S148-L152 WeakPolarHBondContact O-CB 3.41Å; S148-L152 PolarHBondContact O-N 3.44Å; L150-L152 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 3.42Å; L152-S154 VanDerWaalsContact O-N 3.08Å; L152-E155 WeakPolarHBondContact O-CB 3.48Å; L152-E155 PolarHBondContact O-N 3.46Å; L152-E155 VanDerWaalsContact O-N 3.13Å; L152-I158 HydrophobicContact CD1-CD1 3.41Å; L152-I158 VanDerWaalsContact CD1-CD1 3.41Å; L152-I158 HydrophobicContact CG-CD1 3.67Å; L152-I158 WeakPolarHBondContact O-CD1 3.48Å; L152-L634 HydrophobicContact CD2-CD2 3.83Å; L152-M639 HydrophobicContact CB-SD 4.49Å; L152-M639 HydrophobicContact CD2-SD 3.91Å
153	S	90.8	Very high	88.7	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.028	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-11.2	177.1	75.1	0	0	0	0	114.6	L149 L150 E151 R163 L166	L149-S153 WeakPolarHBondContact O-CB 3.16Å; L149-S153 PolarHBondContact O-N 2.9Å; L149-S153 PolarHBondContact O-OG 3.41Å; L150-S153 WeakPolarHBondContact CA-OG 3.29Å; L150-S153 PolarHBondContact O-N 2.96Å; L150-S153 PolarHBondContact O-OG 3.47Å; E151-S153 PolarHBondContact O-N 2.95Å; S153-R163 WeakPolarHBondContact O-CB 3.24Å; S153-L166 WeakPolarHBondContact OG-CD1 3.33Å
154	S	89.3	Confident	88.7	Confident	57 Å²	57	54.1 Å²	54.1	40%	0.399	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6	177.7	-57.1	0	0	0	0	113	L150 E151 L152	L150-S154 PolarHBondContact O-N 3.08Å; L150-S154 VanDerWaalsContact O-N 3.07Å; L150-S154 PolarHBondContact O-OG 3.4Å; E151-S154 WeakPolarHBondContact O-CB 3.4Å; E151-S154 PolarHBondContact O-N 2.72Å; L152-S154 PolarHBondContact O-N 3.42Å; L152-S154 VanDerWaalsContact O-N 3.08Å
155	E	91.5	Very high	88.9	Confident	35 Å²	35	50 Å²	50	16%	0.164	28%	0.278	C	S	.	.	S	Bend	trans	-72.5	134.1	177.9	-78.3	-64.8	152.4	0	0	112.4	K144 I146 L152 T157 I158	K144-E155 VanDerWaalsContact CD-OE1 3.24Å; K144-E155 WeakPolarHBondContact CD-OE1 3.26Å; K144-E155 IonicContact NZ-OE1 2.77Å; K144-E155 PolarHBondContact NZ-OE1 3.47Å; K144-E155 IonicContact NZ-OE2 3.25Å; K144-E155 PolarHBondContact NZ-OE2 3.39Å; I146-E155 HydrophobicContact CD1-CG 3.8Å; L152-E155 WeakPolarHBondContact O-CB 3.48Å; L152-E155 PolarHBondContact O-N 3.46Å; L152-E155 VanDerWaalsContact O-N 3.13Å; E155-T157 PolarHBondContact O-N 3.46Å; E155-T157 VanDerWaalsContact O-N 3.09Å; E155-I158 HydrophobicContact CB-CD1 4.22Å; E155-I158 PolarHBondContact O-N 2.93Å; E155-I158 VanDerWaalsContact O-N 3.14Å
156	P	87.1	Confident	89.3	Confident	125 Å²	125	44.3 Å²	44.3	81%	0.812	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.9	-177.3	-24.1	34.5	0	0	0	115.7
157	T	87.9	Confident	89.6	Confident	87 Å²	87	44.3 Å²	44.3	53%	0.534	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-13.1	179.9	52.2	0	0	0	0	113.5	E155	E155-T157 PolarHBondContact O-N 3.46Å; E155-T157 VanDerWaalsContact O-N 3.09Å
158	I	90.5	Very high	89.9	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.056	24%	0.237	C	C	.	.	S	Bend	trans	-95.9	148.4	-178	-75.8	168.1	0	0	0	110	L133 M137 A140 L152 E155 S160 L162	L133-I158 HydrophobicContact CD1-CG2 3.91Å; M137-I158 HydrophobicContact CG-CD1 3.96Å; M137-I158 HydrophobicContact CG-CG1 4.37Å; A140-I158 HydrophobicContact CB-CD1 3.88Å; L152-I158 HydrophobicContact CD1-CD1 3.41Å; L152-I158 VanDerWaalsContact CD1-CD1 3.41Å; L152-I158 HydrophobicContact CG-CD1 3.67Å; L152-I158 WeakPolarHBondContact O-CD1 3.48Å; E155-I158 HydrophobicContact CB-CD1 4.22Å; E155-I158 PolarHBondContact O-N 2.93Å; E155-I158 VanDerWaalsContact O-N 3.14Å; I158-S160 PolarHBondContact O-N 3.47Å; I158-L162 HydrophobicContact CG2-CD2 4.12Å
159	D	88.5	Confident	90	Very high	42 Å²	42	46 Å²	46	23%	0.225	24%	0.244	C	C	.	.			trans	-60	108.2	178	-169.7	-24.3	0	0	0	110.7	L133 R161 L162	L133-D159 HydrophobicContact CD1-CB 4.03Å; D159-R161 PolarHBondContact O-N 3.41Å; D159-R161 VanDerWaalsContact OD1-CB 3.25Å; D159-R161 WeakPolarHBondContact OD1-CB 3.29Å; D159-R161 VanDerWaalsContact OD1-CG 3.25Å; D159-R161 WeakPolarHBondContact OD1-CG 3.47Å; D159-R161 PolarHBondContact OD1-N 3.03Å; D159-R161 IonicContact OD1-NE 3.99Å; D159-R161 PolarHBondContact OD1-NE 2.94Å; D159-R161 IonicContact OD2-CZ 2.74Å; D159-R161 IonicContact OD2-NE 2.69Å; D159-R161 PolarHBondContact OD2-NE 3.27Å; D159-R161 IonicContact OD2-NH2 3.68Å; D159-R161 PolarHBondContact OD2-NH2 2.99Å; D159-L162 VanDerWaalsContact O-CB 3.26Å; D159-L162 WeakPolarHBondContact O-CB 3.39Å; D159-L162 PolarHBondContact O-N 3Å
160	S	87.3	Confident	90.2	Very high	44 Å²	44	47.5 Å²	47.5	31%	0.308	25%	0.25	S	S	.	.	H	α-helix	trans	-48.4	-27.8	176	54.3	0	0	0	0	114.9	I158 L162 R163 C420 G421	I158-S160 PolarHBondContact O-N 3.47Å; S160-L162 PolarHBondContact O-N 3.47Å; S160-R163 WeakPolarHBondContact O-CB 3.33Å; S160-R163 PolarHBondContact O-N 2.93Å; S160-R163 VanDerWaalsContact O-N 3.07Å; S160-C420 PolarHBondContact O-SG 3.49Å; S160-G421 WeakPolarHBondContact OG-CA 3.31Å
161	R	88.9	Confident	90.3	Very high	47 Å²	47	47.4 Å²	47.4	18%	0.177	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-34	174.5	-64.9	-178.2	-68.1	168	-3.8	112.1	E129 D159 C164 S165 F255 P256	E129-R161 IonicContact OE2-CZ 3.33Å; E129-R161 VanDerWaalsContact OE2-CZ 3.25Å; E129-R161 IonicContact OE2-NH1 3.63Å; E129-R161 PolarHBondContact OE2-NH1 3.06Å; E129-R161 IonicContact OE2-NH2 2.7Å; E129-R161 PolarHBondContact OE2-NH2 2.81Å; D159-R161 PolarHBondContact O-N 3.41Å; D159-R161 VanDerWaalsContact OD1-CB 3.25Å; D159-R161 WeakPolarHBondContact OD1-CB 3.29Å; D159-R161 VanDerWaalsContact OD1-CG 3.25Å; D159-R161 WeakPolarHBondContact OD1-CG 3.47Å; D159-R161 PolarHBondContact OD1-N 3.03Å; D159-R161 IonicContact OD1-NE 3.99Å; D159-R161 PolarHBondContact OD1-NE 2.94Å; D159-R161 IonicContact OD2-CZ 2.74Å; D159-R161 IonicContact OD2-NE 2.69Å; D159-R161 PolarHBondContact OD2-NE 3.27Å; D159-R161 IonicContact OD2-NH2 3.68Å; D159-R161 PolarHBondContact OD2-NH2 2.99Å; R161-C164 PolarHBondContact O-N 2.99Å; R161-S165 PolarHBondContact O-N 3.12Å; R161-F255 HydrophobicContact CB-CD1 3.9Å; R161-P256 WeakPolarHBondContact CD-O 3.41Å
162	L	91.3	Very high	90.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-50.8	174.9	175.7	60.5	0	0	0	110.8	L133 M137 L149 I158 D159 S160 C164 S165 L166 F255 L614	L133-L162 HydrophobicContact CD1-CD2 4.21Å; M137-L162 HydrophobicContact SD-CD2 4.25Å; L149-L162 HydrophobicContact CD1-CD2 4.4Å; I158-L162 HydrophobicContact CG2-CD2 4.12Å; D159-L162 VanDerWaalsContact O-CB 3.26Å; D159-L162 WeakPolarHBondContact O-CB 3.39Å; D159-L162 PolarHBondContact O-N 3Å; S160-L162 PolarHBondContact O-N 3.47Å; L162-C164 PolarHBondContact O-N 2.75Å; L162-C164 VanDerWaalsContact O-N 3.1Å; L162-S165 PolarHBondContact O-N 2.82Å; L162-S165 PolarHBondContact O-OG 3.35Å; L162-L166 HydrophobicContact CD1-CD2 4.22Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 3.1Å; L162-F255 HydrophobicContact CB-CE1 3.98Å; L162-F255 HydrophobicContact CD1-CE1 4.01Å; L162-F255 HydrophobicContact CD1-CZ 3.86Å; L162-L614 HydrophobicContact CD1-CD1 3.7Å; L162-L614 HydrophobicContact CD1-CD2 3.98Å; L162-L614 HydrophobicContact CD1-CG 4.47Å; L162-L614 HydrophobicContact CD2-CD2 4.33Å
163	R	89.1	Confident	90.7	Very high	145 Å²	145	47.3 Å²	47.3	55%	0.547	25%	0.25	S	S	.	.	H	α-helix	trans	-56.2	-32.4	-178	-174.5	175.5	163.2	-175.2	-4.6	112.9	S153 S160	S153-R163 WeakPolarHBondContact O-CB 3.24Å; S160-R163 WeakPolarHBondContact O-CB 3.33Å; S160-R163 PolarHBondContact O-N 2.93Å; S160-R163 VanDerWaalsContact O-N 3.07Å
164	C	87	Confident	90.7	Very high	61 Å²	61	50.1 Å²	50.1	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-91.2	-17.5	-179.7	-65.7	0	0	0	0	114.5	R161 L162 L166 P256 C420	R161-C164 PolarHBondContact O-N 2.99Å; L162-C164 PolarHBondContact O-N 2.75Å; L162-C164 VanDerWaalsContact O-N 3.1Å; C164-L166 VanDerWaalsContact C-N 3.3Å; C164-P256 HydrophobicContact CB-CG 4.07Å; C164-C420 HydrophobicContact CB-CB 3.54Å; C164-C420 WeakPolarHBondContact CB-SG 3.39Å; C164-C420 WeakPolarHBondContact SG-CB 3.45Å; C164-C420 CovalentContact SG-SG 2.02Å; C164-C420 PolarHBondContact SG-SG 2.93Å
165	S	89.5	Confident	91	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	25%	0.251	C	S	.	.	H	α-helix	trans	-81.1	-9.2	166.9	67.3	0	0	0	0	112.9	R161 L162 R245 F255	R161-S165 PolarHBondContact O-N 3.12Å; L162-S165 PolarHBondContact O-N 2.82Å; L162-S165 PolarHBondContact O-OG 3.35Å; S165-R245 PolarHBondContact O-NH2 3.21Å; S165-F255 WeakPolarHBondContact OG-CE1 3.23Å; S165-F255 WeakPolarHBondContact OG-CE2 3.23Å; S165-F255 VanDerWaalsContact OG-CZ 3.29Å; S165-F255 WeakPolarHBondContact OG-CZ 3.42Å
166	L	93.4	Very high	91.1	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.073	25%	0.249	C	C	.	.	S	Bend	trans	-71.3	143.2	171.6	-60.8	-176.2	0	0	0	112.3	I120 L149 L150 S153 L162 C164 R245 I611	I120-L166 HydrophobicContact CD1-CD2 3.62Å; I120-L166 HydrophobicContact CG1-CD2 3.92Å; I120-L166 HydrophobicContact CG2-CD2 4.09Å; L149-L166 HydrophobicContact CD2-CD2 3.94Å; L149-L166 HydrophobicContact CG-CD2 4.36Å; L150-L166 HydrophobicContact CD1-CD1 3.84Å; S153-L166 WeakPolarHBondContact OG-CD1 3.33Å; L162-L166 HydrophobicContact CD1-CD2 4.22Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 3.1Å; C164-L166 VanDerWaalsContact C-N 3.3Å; L166-R245 PolarHBondContact O-NH2 3.03Å; L166-I611 HydrophobicContact CB-CG2 4.14Å; L166-I611 HydrophobicContact CD1-CG2 4.01Å; L166-I611 HydrophobicContact CD2-CG2 3.8Å; L166-I611 HydrophobicContact CG-CG2 4.17Å
167	P	93.9	Very high	91.4	Very high	2 Å²	2	47 Å²	47	1%	0.013	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-67.3	147.4	168.8	29.2	-34.7	0	0	0	110.9	Y116 R169 I609 I611	Y116-P167 HydrophobicContact CD1-CB 3.99Å; Y116-P167 HydrophobicContact CE1-CB 3.64Å; Y116-P167 WeakPolarHBondContact O-CG 3.3Å; P167-R169 PolarHBondContact O-N 3.15Å; P167-I609 HydrophobicContact CB-CD1 4.42Å; P167-I611 HydrophobicContact CG-CG1 4.49Å; P167-I611 HydrophobicContact CG-CG2 4.4Å; P167-I611 WeakPolarHBondContact O-CD1 3.27Å
168	S	91.9	Very high	91.7	Very high	46 Å²	46	46.4 Å²	46.4	32%	0.322	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-65.2	130.4	177.4	-178.9	0	0	0	0	111.6	K170 A171 R176 I609	S168-K170 PolarHBondContact O-N 2.91Å; S168-K170 PolarHBondContact OG-N 3.39Å; S168-A171 VanDerWaalsContact O-CB 3.28Å; S168-A171 WeakPolarHBondContact O-CB 3.48Å; S168-A171 PolarHBondContact O-N 3.44Å; S168-R176 PolarHBondContact OG-NH2 2.91Å; S168-I609 WeakPolarHBondContact O-CD1 3.13Å
169	R	91.8	Very high	91.8	Very high	130 Å²	130	52.9 Å²	52.9	49%	0.491	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-30.2	172.2	-77.8	-165	-69.6	-158.6	-6.7	113.1	L150 P167 D608 I609 I611	L150-R169 VanDerWaalsContact CD2-CD 3.42Å; L150-R169 HydrophobicContact CD2-CG 3.81Å; P167-R169 PolarHBondContact O-N 3.15Å; R169-D608 HydrophobicContact CB-CB 4.35Å; R169-D608 CarbonylContact O-C 3.15Å; R169-D608 VanDerWaalsContact O-CA 3.27Å; R169-D608 WeakPolarHBondContact O-CA 3.32Å; R169-I609 PolarHBondContact O-N 2.9Å; R169-I611 HydrophobicContact CG-CD1 3.5Å; R169-I611 HydrophobicContact CG-CG1 4.08Å
170	K	93.5	Very high	92	Very high	32 Å²	32	51.6 Å²	51.6	14%	0.139	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	24.5	-175	-62.2	176	-174.6	176.3	0	112.4	S168 F172 R173 R176 E177 D180	S168-K170 PolarHBondContact O-N 2.91Å; S168-K170 PolarHBondContact OG-N 3.39Å; K170-F172 PolarHBondContact O-N 2.67Å; K170-R173 HydrophobicContact CB-CB 4.27Å; K170-R173 PolarHBondContact O-N 2.96Å; K170-R176 HydrophobicContact CB-CG 4.49Å; K170-R176 HydrophobicContact CD-CG 4.31Å; K170-R176 PolarHBondContact O-NE 3.01Å; K170-R176 PolarHBondContact O-NH2 3.45Å; K170-E177 WeakPolarHBondContact CE-OE1 3.39Å; K170-E177 IonicContact NZ-OE1 3.66Å; K170-E177 PolarHBondContact NZ-OE1 3.24Å; K170-E177 IonicContact NZ-OE2 3.17Å; K170-E177 PolarHBondContact NZ-OE2 3Å; K170-D180 IonicContact NZ-OD2 2.71Å; K170-D180 PolarHBondContact NZ-OD2 3.46Å
171	A	93.1	Very high	92	Very high	25 Å²	25	53.9 Å²	53.9	21%	0.207	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.7	-176.4	0	0	0	0	0	114.2	Y116 S168 M242 I609	Y116-A171 HydrophobicContact CD1-CB 4.01Å; Y116-A171 HydrophobicContact CE1-CB 3.37Å; S168-A171 VanDerWaalsContact O-CB 3.28Å; S168-A171 WeakPolarHBondContact O-CB 3.48Å; S168-A171 PolarHBondContact O-N 3.44Å; A171-M242 HydrophobicContact CB-CE 4.09Å; A171-I609 HydrophobicContact CB-CD1 4.48Å
172	F	94.2	Very high	92	Very high	22 Å²	22	55.6 Å²	55.6	10%	0.096	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5.7	177.5	-61.2	-85.1	0	0	0	113.9	F109 L112 L113 Y116 K170 M242 F606 I609	F109-F172 HydrophobicContact CE2-CE1 4.44Å; L112-F172 HydrophobicContact CD1-CZ 4.47Å; L112-F172 HydrophobicContact CD2-CE1 4.2Å; L112-F172 HydrophobicContact CG-CE1 4.2Å; L112-F172 HydrophobicContact CG-CZ 4.05Å; L113-F172 HydrophobicContact CD2-CD1 3.78Å; L113-F172 HydrophobicContact CD2-CD2 3.98Å; L113-F172 HydrophobicContact CD2-CE1 3.76Å; L113-F172 HydrophobicContact CD2-CE2 3.98Å; L113-F172 HydrophobicContact CD2-CG 3.89Å; L113-F172 HydrophobicContact CD2-CZ 3.87Å; Y116-F172 HydrophobicContact CD1-CE2 4.02Å; Y116-F172 HydrophobicContact CD1-CZ 4.44Å; Y116-F172 HydrophobicContact CG-CE2 4.06Å; Y116-F172 HydrophobicContact CG-CZ 4.08Å; K170-F172 PolarHBondContact O-N 2.67Å; F172-M242 HydrophobicContact CD1-CE 3.85Å; F172-M242 HydrophobicContact CD2-CE 4.41Å; F172-M242 HydrophobicContact CE1-CE 3.43Å; F172-M242 VanDerWaalsContact CE1-CE 3.43Å; F172-M242 HydrophobicContact CE1-SD 4.36Å; F172-M242 HydrophobicContact CE2-CE 4.05Å; F172-M242 HydrophobicContact CG-CE 4.33Å; F172-M242 HydrophobicContact CZ-CE 3.54Å; F172-F606 HydrophobicContact CB-CB 3.87Å; F172-F606 HydrophobicContact CB-CD1 3.99Å; F172-F606 HydrophobicContact CB-CD2 4.44Å; F172-F606 HydrophobicContact CB-CG 3.82Å; F172-F606 WeakPolarHBondContact O-CD2 3.45Å; F172-I609 HydrophobicContact CD2-CG2 3.69Å; F172-I609 HydrophobicContact CE2-CG2 3.92Å
173	R	94.3	Very high	92.1	Very high	64 Å²	64	58 Å²	58	24%	0.242	29%	0.291	C	S	.	.			trans	-103.2	112.8	175.3	-72.9	-179.8	165.6	-178.7	-12.9	110	K170 R176 Y602 F606 D608	K170-R173 HydrophobicContact CB-CB 4.27Å; K170-R173 PolarHBondContact O-N 2.96Å; R173-R176 HydrophobicContact CB-CG 4.3Å; R173-R176 PolarHBondContact O-NE 3.33Å; R173-Y602 WeakPolarHBondContact CA-O 3.49Å; R173-F606 VanDerWaalsContact CZ-O 3.3Å; R173-F606 PolarHBondContact NE-O 2.99Å; R173-F606 PolarHBondContact NH2-O 3.42Å; R173-D608 IonicContact CZ-OD1 2.66Å; R173-D608 IonicContact NE-OD1 3.89Å; R173-D608 IonicContact NH1-OD1 2.65Å; R173-D608 PolarHBondContact NH1-OD1 3.5Å
174	L	91.7	Very high	92.4	Very high	63 Å²	63	51 Å²	51	33%	0.33	27%	0.265	S	S	.	.	S	Bend	trans	-69.5	-65.7	-176.7	-178.9	61.7	0	0	0	111.9	M183 Y599 Y602	L174-M183 WeakPolarHBondContact O-CG 3.36Å; L174-Y599 HydrophobicContact CD2-CD1 3.81Å; L174-Y599 HydrophobicContact CD2-CE1 4.11Å; L174-Y602 PolarHBondContact N-O 3.12Å
175	L	93.9	Very high	92.8	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.126	27%	0.265	C	S	.	.	S	Bend	trans	-96.5	128.6	174.3	-54.5	179.7	0	0	0	109.4	W185 F188 Y599 S603	L175-W185 HydrophobicContact CB-CB 3.83Å; L175-F188 HydrophobicContact CD2-CB 4.1Å; L175-F188 HydrophobicContact CD2-CD1 3.47Å; L175-F188 VanDerWaalsContact CD2-CD1 3.47Å; L175-F188 HydrophobicContact CD2-CD2 4.47Å; L175-F188 HydrophobicContact CD2-CE1 3.98Å; L175-F188 HydrophobicContact CD2-CG 3.76Å; L175-Y599 HydrophobicContact CD1-CD1 3.81Å; L175-Y599 HydrophobicContact CD1-CE1 4.47Å; L175-Y599 HydrophobicContact CD1-CG 4.22Å; L175-Y599 HydrophobicContact CD2-CD1 4.49Å; L175-Y599 HydrophobicContact CG-CD1 4.15Å; L175-S603 VanDerWaalsContact CB-OG 3.31Å; L175-S603 WeakPolarHBondContact CB-OG 3.47Å; L175-S603 PolarHBondContact N-OG 3.09Å; L175-S603 WeakPolarHBondContact O-CB 3.37Å
176	R	94.6	Very high	93.1	Very high	30 Å²	30	55.4 Å²	55.4	11%	0.113	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-116.1	179	-174.8	-57.8	173.9	-177.3	176.6	5.9	111.2	S168 K170 R173 D180 D182 M183 W185	S168-R176 PolarHBondContact OG-NH2 2.91Å; K170-R176 HydrophobicContact CB-CG 4.49Å; K170-R176 HydrophobicContact CD-CG 4.31Å; K170-R176 PolarHBondContact O-NE 3.01Å; K170-R176 PolarHBondContact O-NH2 3.45Å; R173-R176 HydrophobicContact CB-CG 4.3Å; R173-R176 PolarHBondContact O-NE 3.33Å; R176-D180 HydrophobicContact CB-CB 3.67Å; R176-D180 WeakPolarHBondContact CD-OD1 3.38Å; R176-D180 WeakPolarHBondContact CD-OD2 3.48Å; R176-D180 IonicContact CZ-OD1 3.17Å; R176-D180 IonicContact NE-OD1 2.69Å; R176-D180 IonicContact NH1-OD1 2.7Å; R176-D180 PolarHBondContact NH1-OD1 2.88Å; R176-D180 VanDerWaalsContact NH1-OD1 3.07Å; R176-D180 IonicContact NH1-OD2 2.64Å; R176-D182 IonicContact CZ-OD2 2.85Å; R176-D182 IonicContact NH1-OD2 3.07Å; R176-D182 PolarHBondContact NH1-OD2 3.35Å; R176-D182 IonicContact NH2-OD2 3.26Å; R176-M183 WeakPolarHBondContact CB-O 3.42Å; R176-M183 HydrophobicContact CG-CB 4.45Å; R176-M183 PolarHBondContact N-O 3.41Å; R176-W185 VanDerWaalsContact O-CB 3.3Å; R176-W185 WeakPolarHBondContact O-CB 3.39Å; R176-W185 PolarHBondContact O-N 2.76Å
177	E	93.4	Very high	93.2	Very high	98 Å²	98	54.7 Å²	54.7	46%	0.458	27%	0.272	S	S	.	.			trans	-53.2	156	-175.1	-57.6	95	121	0	0	113	K170 N179 D180 P184	K170-E177 WeakPolarHBondContact CE-OE1 3.39Å; K170-E177 IonicContact NZ-OE1 3.66Å; K170-E177 PolarHBondContact NZ-OE1 3.24Å; K170-E177 IonicContact NZ-OE2 3.17Å; K170-E177 PolarHBondContact NZ-OE2 3Å; E177-N179 PolarHBondContact O-N 3.43Å; E177-D180 VanDerWaalsContact O-CB 3.31Å; E177-D180 WeakPolarHBondContact O-CB 3.28Å; E177-D180 PolarHBondContact O-N 3.39Å; E177-P184 WeakPolarHBondContact O-CA 3.09Å
178	I	94.9	Very high	93.3	Very high	74 Å²	74	56.5 Å²	56.5	38%	0.379	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.4	-173.4	-164.4	170.1	0	0	0	114	P184 L186 Y437	I178-P184 WeakPolarHBondContact O-CB 3.28Å; I178-L186 HydrophobicContact CD1-CB 4.42Å; I178-L186 HydrophobicContact CD1-CD2 3.72Å; I178-L186 HydrophobicContact CG1-CB 4.17Å; I178-L186 HydrophobicContact CG1-CD2 4.23Å; I178-Y437 VanDerWaalsContact CG1-OH 3.25Å; I178-Y437 WeakPolarHBondContact CG1-OH 3.14Å; I178-Y437 PolarHBondContact O-OH 3.39Å
179	N	91.8	Very high	93.4	Very high	147 Å²	147	57.5 Å²	57.5	79%	0.786	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	12.3	179.2	-61.2	-24.9	0	0	0	113.2	E177	E177-N179 PolarHBondContact O-N 3.43Å
180	D	92.8	Very high	93.6	Very high	14 Å²	14	55.2 Å²	55.2	8%	0.075	28%	0.278	C	S	.	.			trans	-63.4	134.7	175.7	-166.6	-93.2	0	0	0	110	K170 R176 E177 D182 M183 P184	K170-D180 IonicContact NZ-OD2 2.71Å; K170-D180 PolarHBondContact NZ-OD2 3.46Å; R176-D180 HydrophobicContact CB-CB 3.67Å; R176-D180 WeakPolarHBondContact CD-OD1 3.38Å; R176-D180 WeakPolarHBondContact CD-OD2 3.48Å; R176-D180 IonicContact CZ-OD1 3.17Å; R176-D180 IonicContact NE-OD1 2.69Å; R176-D180 IonicContact NH1-OD1 2.7Å; R176-D180 PolarHBondContact NH1-OD1 2.88Å; R176-D180 VanDerWaalsContact NH1-OD1 3.07Å; R176-D180 IonicContact NH1-OD2 2.64Å; E177-D180 VanDerWaalsContact O-CB 3.31Å; E177-D180 WeakPolarHBondContact O-CB 3.28Å; E177-D180 PolarHBondContact O-N 3.39Å; D180-D182 VanDerWaalsContact C-N 3.33Å; D180-D182 PolarHBondContact O-N 2.97Å; D180-D182 PolarHBondContact OD1-N 2.93Å; D180-D182 VanDerWaalsContact OD1-N 3.14Å; D180-M183 PolarHBondContact OD1-N 3.42Å; D180-M183 VanDerWaalsContact OD1-N 3.16Å; D180-P184 WeakPolarHBondContact O-CD 3.47Å
181	P	87.4	Confident	93.6	Very high	93 Å²	93	53.7 Å²	53.7	60%	0.604	27%	0.271	S	S	*	.	S	Bend	trans	-73.5	-23.1	-175.3	29	-35.2	0	0	0	113.4	H434	P181-H434 PolarHBondContact O-CD2 3.42Å; P181-H434 VanDerWaalsContact O-CD2 3.26Å; P181-H434 PolarHBondContact O-NE2 2.99Å
182	D	88.9	Confident	93.7	Very high	82 Å²	82	53.2 Å²	53.2	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-98.3	-47	-173.5	-47.5	-21.1	0	0	0	111.5	R176 D180	R176-D182 IonicContact CZ-OD2 2.85Å; R176-D182 IonicContact NH1-OD2 3.07Å; R176-D182 PolarHBondContact NH1-OD2 3.35Å; R176-D182 IonicContact NH2-OD2 3.26Å; D180-D182 VanDerWaalsContact C-N 3.33Å; D180-D182 PolarHBondContact O-N 2.97Å; D180-D182 PolarHBondContact OD1-N 2.93Å; D180-D182 VanDerWaalsContact OD1-N 3.14Å
183	M	93.3	Very high	93.8	Very high	50 Å²	50	55.4 Å²	55.4	25%	0.246	28%	0.28	C	S	.	.			trans	-144.4	61.6	-169.4	-157.4	56.3	60.5	0	0	114.2	L174 R176 D180 W185 F188 M436	L174-M183 WeakPolarHBondContact O-CG 3.36Å; R176-M183 WeakPolarHBondContact CB-O 3.42Å; R176-M183 HydrophobicContact CG-CB 4.45Å; R176-M183 PolarHBondContact N-O 3.41Å; D180-M183 PolarHBondContact OD1-N 3.42Å; D180-M183 VanDerWaalsContact OD1-N 3.16Å; M183-W185 PolarHBondContact O-N 3Å; M183-F188 HydrophobicContact SD-CD2 3.79Å; M183-F188 HydrophobicContact SD-CE2 4.45Å; M183-F188 HydrophobicContact SD-CG 4.48Å; M183-M436 HydrophobicContact CE-CE 4.23Å; M183-M436 HydrophobicContact SD-CE 3.77Å
184	P	95.8	Very high	93.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-69.8	120.2	-178.1	28.5	-33.2	0	0	0	111.3	E177 I178 D180 L186 G187 F188 Y437	E177-P184 WeakPolarHBondContact O-CA 3.09Å; I178-P184 WeakPolarHBondContact O-CB 3.28Å; D180-P184 WeakPolarHBondContact O-CD 3.47Å; P184-L186 VanDerWaalsContact C-N 3.33Å; P184-L186 PolarHBondContact O-N 3.4Å; P184-G187 PolarHBondContact O-N 3.22Å; P184-G187 VanDerWaalsContact O-N 3.16Å; P184-F188 PolarHBondContact O-N 3.47Å; P184-Y437 HydrophobicContact CB-CE2 3.96Å; P184-Y437 HydrophobicContact CG-CE2 3.95Å
185	W	95.5	Very high	94	Very high	109 Å²	109	49.7 Å²	49.7	41%	0.413	26%	0.255	S	S	.	.	H	α-helix	trans	-54.4	-42.8	-169.4	74.4	-91.3	0	0	0	114.3	L175 R176 M183 F188 L189	L175-W185 HydrophobicContact CB-CB 3.83Å; R176-W185 VanDerWaalsContact O-CB 3.3Å; R176-W185 WeakPolarHBondContact O-CB 3.39Å; R176-W185 PolarHBondContact O-N 2.76Å; M183-W185 PolarHBondContact O-N 3Å; W185-F188 PolarHBondContact O-N 3.36Å; W185-L189 HydrophobicContact CE3-CD1 3.87Å; W185-L189 HydrophobicContact CZ3-CD1 4.13Å; W185-L189 WeakPolarHBondContact O-CG 3.25Å; W185-L189 PolarHBondContact O-N 3.1Å
186	L	96.1	Very high	94	Very high	44 Å²	44	50.5 Å²	50.5	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-72.8	-41.9	-176.6	-177.3	66.8	0	0	0	110.9	I178 P184 F188 L189 L190 Y437	I178-L186 HydrophobicContact CD1-CB 4.42Å; I178-L186 HydrophobicContact CD1-CD2 3.72Å; I178-L186 HydrophobicContact CG1-CB 4.17Å; I178-L186 HydrophobicContact CG1-CD2 4.23Å; P184-L186 VanDerWaalsContact C-N 3.33Å; P184-L186 PolarHBondContact O-N 3.4Å; L186-F188 VanDerWaalsContact C-N 3.33Å; L186-L189 PolarHBondContact O-N 3.11Å; L186-L190 HydrophobicContact CD1-CD1 3.51Å; L186-L190 HydrophobicContact CD1-CG 3.99Å; L186-L190 HydrophobicContact CG-CD1 4.2Å; L186-L190 WeakPolarHBondContact O-CB 3.31Å; L186-L190 PolarHBondContact O-N 2.92Å; L186-Y437 HydrophobicContact CB-CE1 4.22Å; L186-Y437 HydrophobicContact CD2-CE1 4.39Å; L186-Y437 HydrophobicContact CG-CE1 4.29Å
187	G	94.5	Very high	94	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-47.4	172.6	0	0	0	0	0	110.6	P184 G191 M436 Y437	P184-G187 PolarHBondContact O-N 3.22Å; P184-G187 VanDerWaalsContact O-N 3.16Å; G187-G191 WeakPolarHBondContact O-CA 3.32Å; G187-G191 PolarHBondContact O-N 2.83Å; G187-M436 WeakPolarHBondContact O-CB 3.44Å; G187-Y437 VanDerWaalsContact CA-CE1 3.4Å; G187-Y437 VanDerWaalsContact N-CE1 3.27Å
188	F	95	Very high	94.1	Very high	40 Å²	40	46.9 Å²	46.9	18%	0.175	25%	0.248	C	C	.	.	I	π-helix	trans	-57.9	-57.4	174.9	-178.8	-90.5	0	0	0	111.6	L175 M183 P184 W185 L186 L190 Q192 M436 Y599	L175-F188 HydrophobicContact CD2-CB 4.1Å; L175-F188 HydrophobicContact CD2-CD1 3.47Å; L175-F188 VanDerWaalsContact CD2-CD1 3.47Å; L175-F188 HydrophobicContact CD2-CD2 4.47Å; L175-F188 HydrophobicContact CD2-CE1 3.98Å; L175-F188 HydrophobicContact CD2-CG 3.76Å; M183-F188 HydrophobicContact SD-CD2 3.79Å; M183-F188 HydrophobicContact SD-CE2 4.45Å; M183-F188 HydrophobicContact SD-CG 4.48Å; P184-F188 PolarHBondContact O-N 3.47Å; W185-F188 PolarHBondContact O-N 3.36Å; L186-F188 VanDerWaalsContact C-N 3.33Å; F188-L190 PolarHBondContact O-N 3.04Å; F188-Q192 HydrophobicContact CD2-CB 4.11Å; F188-Q192 HydrophobicContact CD2-CG 4.31Å; F188-Q192 HydrophobicContact CE2-CB 4.3Å; F188-Q192 HydrophobicContact CE2-CG 4.05Å; F188-Q192 HydrophobicContact CG-CB 4.46Å; F188-Q192 WeakPolarHBondContact O-CA 3.33Å; F188-Q192 WeakPolarHBondContact O-CB 3.22Å; F188-Q192 PolarHBondContact O-N 3.01Å; F188-M436 VanDerWaalsContact CA-SD 3.56Å; F188-M436 HydrophobicContact CB-SD 3.9Å; F188-M436 HydrophobicContact CD2-CE 4.09Å; F188-M436 HydrophobicContact CD2-SD 4.28Å; F188-Y599 AromaticContact CE1-CE1 3.69Å; F188-Y599 HydrophobicContact CE1-CE1 3.69Å; F188-Y599 AromaticContact CE1-CZ 3.8Å; F188-Y599 WeakPolarHBondContact CE1-OH 3.44Å; F188-Y599 HydrophobicContact CZ-CE1 4.15Å
189	L	94.7	Very high	94	Very high	67 Å²	67	47.2 Å²	47.2	35%	0.351	25%	0.245	S	C	.	.	I	π-helix	trans	-62.8	-39.4	-174.5	-69.8	-178	0	0	0	113.9	W185 L186 T193	W185-L189 HydrophobicContact CE3-CD1 3.87Å; W185-L189 HydrophobicContact CZ3-CD1 4.13Å; W185-L189 WeakPolarHBondContact O-CG 3.25Å; W185-L189 PolarHBondContact O-N 3.1Å; L186-L189 PolarHBondContact O-N 3.11Å; L189-T193 WeakPolarHBondContact O-CB 3.26Å; L189-T193 PolarHBondContact O-OG1 3.4Å
190	L	95.8	Very high	94	Very high	81 Å²	81	45 Å²	45	42%	0.424	23%	0.226	S	C	.	.	I	π-helix	trans	-97.3	-20.1	-176	-59.7	-175.4	0	0	0	114.3	L186 F188 P194 M440	L186-L190 HydrophobicContact CD1-CD1 3.51Å; L186-L190 HydrophobicContact CD1-CG 3.99Å; L186-L190 HydrophobicContact CG-CD1 4.2Å; L186-L190 WeakPolarHBondContact O-CB 3.31Å; L186-L190 PolarHBondContact O-N 2.92Å; F188-L190 PolarHBondContact O-N 3.04Å; L190-P194 WeakPolarHBondContact O-CD 3.29Å; L190-P194 WeakPolarHBondContact O-CG 3.32Å; L190-M440 HydrophobicContact CB-CB 4.32Å; L190-M440 HydrophobicContact CB-CE 4.39Å; L190-M440 HydrophobicContact CB-CG 3.83Å; L190-M440 HydrophobicContact CB-SD 3.67Å; L190-M440 HydrophobicContact CD1-CE 3.54Å; L190-M440 HydrophobicContact CD1-SD 3.79Å; L190-M440 HydrophobicContact CG-SD 4.38Å
191	G	94.5	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-101.2	-42.4	-179.3	0	0	0	0	0	114.4	G187 T193 P194 M436 A439	G187-G191 WeakPolarHBondContact O-CA 3.32Å; G187-G191 PolarHBondContact O-N 2.83Å; G191-T193 VanDerWaalsContact C-N 3.33Å; G191-P194 WeakPolarHBondContact O-CD 3.38Å; G191-M436 VanDerWaalsContact CA-O 3.27Å; G191-M436 WeakPolarHBondContact CA-O 3.41Å; G191-A439 WeakPolarHBondContact O-CB 3.28Å
192	Q	94.8	Very high	94	Very high	16 Å²	16	43 Å²	43	8%	0.075	21%	0.214	C	C	.	.	I	π-helix	trans	-73.4	-27.6	177.3	-169.4	57.7	33.9	0	0	111.9	F188 S195 S196	F188-Q192 HydrophobicContact CD2-CB 4.11Å; F188-Q192 HydrophobicContact CD2-CG 4.31Å; F188-Q192 HydrophobicContact CE2-CB 4.3Å; F188-Q192 HydrophobicContact CE2-CG 4.05Å; F188-Q192 HydrophobicContact CG-CB 4.46Å; F188-Q192 WeakPolarHBondContact O-CA 3.33Å; F188-Q192 WeakPolarHBondContact O-CB 3.22Å; F188-Q192 PolarHBondContact O-N 3.01Å; Q192-S195 PolarHBondContact O-N 3.04Å; Q192-S196 WeakPolarHBondContact O-CB 3.48Å; Q192-S196 PolarHBondContact O-N 3.07Å; Q192-S196 PolarHBondContact O-OG 3.03Å
193	T	95.1	Very high	94.1	Very high	67 Å²	67	39.1 Å²	39.1	41%	0.411	19%	0.193	S	C	.	.	H	α-helix	trans	-62.3	-50.2	178.9	-65.9	0	0	0	0	112.6	L189 G191 S195 S196 I197	L189-T193 WeakPolarHBondContact O-CB 3.26Å; L189-T193 PolarHBondContact O-OG1 3.4Å; G191-T193 VanDerWaalsContact C-N 3.33Å; T193-S195 PolarHBondContact O-N 2.97Å; T193-S196 CarbonylContact O-C 3.58Å; T193-S196 WeakPolarHBondContact O-CB 3.3Å; T193-S196 PolarHBondContact O-N 3.05Å; T193-S196 VanDerWaalsContact O-N 3.1Å; T193-I197 HydrophobicContact CG2-CD1 3.91Å; T193-I197 HydrophobicContact CG2-CG1 4.38Å; T193-I197 WeakPolarHBondContact O-CG1 3.33Å; T193-I197 PolarHBondContact O-N 3.18Å
194	P	95.9	Very high	93.7	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-50	-50	170.6	-32.5	36.4	0	0	0	114.6	L190 G191 S196 I197 W198 P374 A377 F443	L190-P194 WeakPolarHBondContact O-CD 3.29Å; L190-P194 WeakPolarHBondContact O-CG 3.32Å; G191-P194 WeakPolarHBondContact O-CD 3.38Å; P194-S196 VanDerWaalsContact C-N 3.27Å; P194-S196 PolarHBondContact O-N 2.84Å; P194-I197 PolarHBondContact O-N 3.48Å; P194-W198 PolarHBondContact O-N 3.15Å; P194-P374 HydrophobicContact CB-CB 3.88Å; P194-P374 HydrophobicContact CB-CG 4.36Å; P194-A377 HydrophobicContact CB-CB 4.45Å; P194-A377 WeakPolarHBondContact O-CB 3.4Å; P194-F443 HydrophobicContact CB-CB 4.06Å; P194-F443 HydrophobicContact CB-CD2 3.56Å; P194-F443 HydrophobicContact CB-CE2 4.12Å; P194-F443 HydrophobicContact CB-CG 3.89Å; P194-F443 HydrophobicContact CG-CB 3.76Å; P194-F443 HydrophobicContact CG-CD1 3.88Å; P194-F443 HydrophobicContact CG-CD2 3.61Å; P194-F443 HydrophobicContact CG-CE1 4.33Å; P194-F443 HydrophobicContact CG-CE2 4.09Å; P194-F443 HydrophobicContact CG-CG 3.48Å; P194-F443 VanDerWaalsContact CG-CG 3.48Å; P194-F443 HydrophobicContact CG-CZ 4.42Å
195	S	94.4	Very high	93.1	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-35.6	177.8	-55	0	0	0	0	112.2	Q192 T193 W198 Y199 T373	Q192-S195 PolarHBondContact O-N 3.04Å; T193-S195 PolarHBondContact O-N 2.97Å; S195-W198 PolarHBondContact O-N 3.32Å; S195-Y199 WeakPolarHBondContact O-CB 3.33Å; S195-Y199 PolarHBondContact O-N 2.67Å; S195-T373 WeakPolarHBondContact CA-OG1 3.35Å; S195-T373 PolarHBondContact OG-OG1 2.93Å
196	S	94.5	Very high	92.7	Very high	40 Å²	40	33.3 Å²	33.3	28%	0.28	17%	0.171	S	C	.	.	H	α-helix	trans	-70.8	-37.6	176.1	-55.7	0	0	0	0	112.4	Q192 T193 P194 W198 Y199 W200	Q192-S196 WeakPolarHBondContact O-CB 3.48Å; Q192-S196 PolarHBondContact O-N 3.07Å; Q192-S196 PolarHBondContact O-OG 3.03Å; T193-S196 CarbonylContact O-C 3.58Å; T193-S196 WeakPolarHBondContact O-CB 3.3Å; T193-S196 PolarHBondContact O-N 3.05Å; T193-S196 VanDerWaalsContact O-N 3.1Å; P194-S196 VanDerWaalsContact C-N 3.27Å; P194-S196 PolarHBondContact O-N 2.84Å; S196-W198 VanDerWaalsContact C-N 3.34Å; S196-Y199 PolarHBondContact O-N 3.34Å; S196-W200 WeakPolarHBondContact O-CB 3.28Å; S196-W200 PolarHBondContact O-N 3.18Å
197	I	94.7	Very high	92.2	Very high	44 Å²	44	32.3 Å²	32.3	23%	0.226	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-42.8	173.4	-70	170.1	0	0	0	110.1	T193 P194 C201 A377 L381	T193-I197 HydrophobicContact CG2-CD1 3.91Å; T193-I197 HydrophobicContact CG2-CG1 4.38Å; T193-I197 WeakPolarHBondContact O-CG1 3.33Å; T193-I197 PolarHBondContact O-N 3.18Å; P194-I197 PolarHBondContact O-N 3.48Å; I197-C201 VanDerWaalsContact O-CB 3.25Å; I197-C201 WeakPolarHBondContact O-CB 3.29Å; I197-C201 PolarHBondContact O-N 2.9Å; I197-A377 HydrophobicContact CB-CB 4.37Å; I197-A377 HydrophobicContact CG2-CB 4.22Å; I197-L381 HydrophobicContact CD1-CD1 4.07Å; I197-L381 HydrophobicContact CG2-CD1 4.42Å; I197-L381 HydrophobicContact CG2-CD2 4.22Å; I197-L381 HydrophobicContact CG2-CG 4.25Å
198	W	95	Very high	91.4	Very high	8 Å²	8	33.7 Å²	33.7	3%	0.03	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-53.3	171.4	166.4	80.2	0	0	0	111.2	L32 P194 S195 S196 W200 C201 A202 D203 T373 A377	L32-W198 HydrophobicContact CD1-CH2 4.25Å; L32-W198 HydrophobicContact CD1-CZ2 3.69Å; P194-W198 PolarHBondContact O-N 3.15Å; S195-W198 PolarHBondContact O-N 3.32Å; S196-W198 VanDerWaalsContact C-N 3.34Å; W198-W200 VanDerWaalsContact C-N 3.34Å; W198-W200 PolarHBondContact O-N 3.14Å; W198-C201 PolarHBondContact O-N 2.95Å; W198-A202 HydrophobicContact CG-CB 4.36Å; W198-A202 CarbonylContact O-C 3.43Å; W198-A202 VanDerWaalsContact O-CA 3.29Å; W198-A202 WeakPolarHBondContact O-CA 3.34Å; W198-A202 VanDerWaalsContact O-CB 3.31Å; W198-A202 WeakPolarHBondContact O-CB 3.34Å; W198-A202 PolarHBondContact O-N 3.34Å; W198-D203 PolarHBondContact O-N 2.83Å; W198-T373 VanDerWaalsContact CD2-CB 3.49Å; W198-T373 HydrophobicContact CD2-CG2 3.43Å; W198-T373 VanDerWaalsContact CD2-CG2 3.43Å; W198-T373 HydrophobicContact CE3-CG2 3.32Å; W198-T373 HydrophobicContact CG-CG2 4.09Å; W198-T373 HydrophobicContact CH2-CG2 3.91Å; W198-T373 HydrophobicContact CZ2-CG2 4.01Å; W198-T373 HydrophobicContact CZ3-CG2 3.57Å; W198-A377 HydrophobicContact CB-CB 4.2Å
199	Y	93.8	Very high	90.8	Very high	81 Å²	81	35.9 Å²	35.9	32%	0.318	18%	0.18	S	C	.	.	H	α-helix	trans	-60.7	-40.4	-174.9	-177	-92	0	0	0	113	S195 S196 D203 M206	S195-Y199 WeakPolarHBondContact O-CB 3.33Å; S195-Y199 PolarHBondContact O-N 2.67Å; S196-Y199 PolarHBondContact O-N 3.34Å; Y199-D203 WeakPolarHBondContact O-CB 3.49Å; Y199-M206 HydrophobicContact CE1-CG 4.42Å; Y199-M206 WeakPolarHBondContact O-CG 3.22Å
200	W	92.8	Very high	90.3	Very high	102 Å²	102	35.3 Å²	35.3	39%	0.386	18%	0.179	S	C	.	.	H	α-helix	trans	-88.3	-23.8	-176.4	-70	114.8	0	0	0	114.9	S196 W198 M206 T226 K230	S196-W200 WeakPolarHBondContact O-CB 3.28Å; S196-W200 PolarHBondContact O-N 3.18Å; W198-W200 VanDerWaalsContact C-N 3.34Å; W198-W200 PolarHBondContact O-N 3.14Å; W200-M206 HydrophobicContact CE3-CG 4.34Å; W200-M206 HydrophobicContact CE3-SD 4.27Å; W200-M206 HydrophobicContact CZ3-SD 3.91Å; W200-T226 HydrophobicContact CH2-CG2 3.62Å; W200-T226 HydrophobicContact CZ3-CG2 3.8Å; W200-K230 HydrophobicContact CZ2-CD 4.34Å; W200-K230 HydrophobicContact CZ2-CG 4.41Å
201	C	90.7	Very high	89.6	Confident	62 Å²	62	33.9 Å²	33.9	42%	0.419	17%	0.171	S	C	.	.	H	α-helix	trans	-117.9	-17.2	-174.3	-52.6	0	0	0	0	114.7	I197 W198 F380	I197-C201 VanDerWaalsContact O-CB 3.25Å; I197-C201 WeakPolarHBondContact O-CB 3.29Å; I197-C201 PolarHBondContact O-N 2.9Å; W198-C201 PolarHBondContact O-N 2.95Å; C201-F380 HydrophobicContact CB-CD1 4.36Å; C201-F380 HydrophobicContact CB-CE1 3.47Å; C201-F380 VanDerWaalsContact CB-CE1 3.47Å; C201-F380 HydrophobicContact CB-CZ 3.95Å; C201-F380 WeakPolarHBondContact O-CZ 3.21Å
202	A	89.4	Confident	88.8	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.017	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-15.6	-175.1	0	0	0	0	0	114	L8 W198 Q204	L8-A202 HydrophobicContact CD2-CB 3.58Å; L8-A202 WeakPolarHBondContact CD2-O 3.4Å; W198-A202 HydrophobicContact CG-CB 4.36Å; W198-A202 CarbonylContact O-C 3.43Å; W198-A202 VanDerWaalsContact O-CA 3.29Å; W198-A202 WeakPolarHBondContact O-CA 3.34Å; W198-A202 VanDerWaalsContact O-CB 3.31Å; W198-A202 WeakPolarHBondContact O-CB 3.34Å; W198-A202 PolarHBondContact O-N 3.34Å; A202-Q204 PolarHBondContact O-N 3.38Å
203	D	90.2	Very high	88.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.202	C	C	.	.			trans	-66	124.9	172.2	-171.5	-88.8	0	0	0	111.2	K37 W198 Y199 M205 M206 V207	K37-D203 VanDerWaalsContact CE-OD2 3.28Å; K37-D203 WeakPolarHBondContact CE-OD2 3.31Å; K37-D203 IonicContact NZ-OD1 3.77Å; K37-D203 PolarHBondContact NZ-OD1 3.13Å; K37-D203 IonicContact NZ-OD2 3.64Å; K37-D203 PolarHBondContact NZ-OD2 3.32Å; W198-D203 PolarHBondContact O-N 2.83Å; Y199-D203 WeakPolarHBondContact O-CB 3.49Å; D203-M205 PolarHBondContact O-N 3.06Å; D203-M205 VanDerWaalsContact OD1-CB 3.32Å; D203-M205 WeakPolarHBondContact OD1-CB 3.5Å; D203-M205 WeakPolarHBondContact OD1-CG 3.4Å; D203-M205 PolarHBondContact OD1-N 3.41Å; D203-M206 HydrophobicContact CB-CB 4.37Å; D203-M206 HydrophobicContact CB-CG 4.22Å; D203-M206 PolarHBondContact O-N 2.91Å; D203-M206 VanDerWaalsContact O-N 3.11Å; D203-V207 WeakPolarHBondContact O-CG2 3.25Å; D203-V207 PolarHBondContact O-N 3.32Å
204	Q	85.1	Confident	87.8	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-29.3	-173	-178.6	62.5	18.1	0	0	112.9	S6 T7 A202 Q208 L313	S6-Q204 PolarHBondContact O-NE2 3Å; T7-Q204 VanDerWaalsContact CA-OE1 3.3Å; A202-Q204 PolarHBondContact O-N 3.38Å; Q204-Q208 HydrophobicContact CG-CG 4.44Å; Q204-Q208 VanDerWaalsContact NE2-CG 3.34Å; Q204-Q208 WeakPolarHBondContact O-CB 3.38Å; Q204-Q208 WeakPolarHBondContact O-CG 3.35Å; Q204-Q208 PolarHBondContact O-N 3.47Å; Q204-L313 HydrophobicContact CB-CD1 4.11Å; Q204-L313 HydrophobicContact CB-CD2 4.29Å; Q204-L313 HydrophobicContact CB-CG 4.42Å; Q204-L313 HydrophobicContact CG-CD1 4.21Å; Q204-L313 HydrophobicContact CG-CD2 3.94Å; Q204-L313 HydrophobicContact CG-CG 4.01Å
205	M	83.6	Confident	87.3	Confident	13 Å²	13	42.5 Å²	42.5	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-70.4	-41	177.6	-44.5	-163	-38.5	0	0	111.2	Y33 K37 D203 R209 I306 S309	Y33-M205 WeakPolarHBondContact OH-CG 3.29Å; K37-M205 HydrophobicContact CD-CE 4.24Å; K37-M205 HydrophobicContact CD-SD 4.22Å; K37-M205 PolarHBondContact NZ-SD 2.99Å; K37-M205 VanDerWaalsContact NZ-SD 3.41Å; D203-M205 PolarHBondContact O-N 3.06Å; D203-M205 VanDerWaalsContact OD1-CB 3.32Å; D203-M205 WeakPolarHBondContact OD1-CB 3.5Å; D203-M205 WeakPolarHBondContact OD1-CG 3.4Å; D203-M205 PolarHBondContact OD1-N 3.41Å; M205-R209 WeakPolarHBondContact O-CG 3.45Å; M205-R209 PolarHBondContact O-N 2.98Å; M205-R209 VanDerWaalsContact O-N 3.11Å; M205-I306 HydrophobicContact CE-CG1 4.06Å; M205-I306 HydrophobicContact SD-CB 4.11Å; M205-I306 HydrophobicContact SD-CG1 3.41Å; M205-I306 WeakPolarHBondContact SD-CG1 3.5Å; M205-S309 WeakPolarHBondContact CG-OG 3.4Å
206	M	87	Confident	86.9	Confident	21 Å²	21	44.1 Å²	44.1	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-71	-39.8	177.6	-62.3	-55.1	107.6	0	0	111.3	Y199 W200 D203 T210	Y199-M206 HydrophobicContact CE1-CG 4.42Å; Y199-M206 WeakPolarHBondContact O-CG 3.22Å; W200-M206 HydrophobicContact CE3-CG 4.34Å; W200-M206 HydrophobicContact CE3-SD 4.27Å; W200-M206 HydrophobicContact CZ3-SD 3.91Å; D203-M206 HydrophobicContact CB-CB 4.37Å; D203-M206 HydrophobicContact CB-CG 4.22Å; D203-M206 PolarHBondContact O-N 2.91Å; D203-M206 VanDerWaalsContact O-N 3.11Å; M206-T210 WeakPolarHBondContact O-CB 3.34Å; M206-T210 PolarHBondContact O-N 2.68Å; M206-T210 PolarHBondContact O-OG1 3Å
207	V	84.5	Confident	86.7	Confident	22 Å²	22	43.6 Å²	43.6	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-52.8	172.8	170.5	0	0	0	0	110.2	D203 R209 T210 L211	D203-V207 WeakPolarHBondContact O-CG2 3.25Å; D203-V207 PolarHBondContact O-N 3.32Å; V207-R209 PolarHBondContact O-N 3.42Å; V207-T210 PolarHBondContact O-N 2.85Å; V207-T210 VanDerWaalsContact O-N 3.1Å; V207-L211 HydrophobicContact CG1-CD1 3.52Å; V207-L211 HydrophobicContact CG1-CG 4.02Å; V207-L211 WeakPolarHBondContact O-CB 2.96Å; V207-L211 VanDerWaalsContact O-CG 3.24Å; V207-L211 WeakPolarHBondContact O-CG 3.33Å; V207-L211 PolarHBondContact O-N 3.22Å
208	Q	78.1	Confident	86.5	Confident	30 Å²	30	46.6 Å²	46.6	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-45.4	179.2	-77.5	178.3	-23.2	0	0	113.1	Q204 T210 L211 A212 S309	Q204-Q208 HydrophobicContact CG-CG 4.44Å; Q204-Q208 VanDerWaalsContact NE2-CG 3.34Å; Q204-Q208 WeakPolarHBondContact O-CB 3.38Å; Q204-Q208 WeakPolarHBondContact O-CG 3.35Å; Q204-Q208 PolarHBondContact O-N 3.47Å; Q208-T210 VanDerWaalsContact C-N 3.28Å; Q208-T210 PolarHBondContact O-N 3.1Å; Q208-L211 PolarHBondContact O-N 3.37Å; Q208-A212 WeakPolarHBondContact O-CB 3.38Å; Q208-A212 PolarHBondContact O-N 2.65Å; Q208-S309 PolarHBondContact OE1-OG 2.85Å
209	R	81.8	Confident	86.2	Confident	85 Å²	85	46.5 Å²	46.5	32%	0.321	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-36.6	176	-75.3	177.1	170.6	167.6	-0.3	112.1	D84 M205 V207	D84-R209 IonicContact OD2-CZ 2.66Å; D84-R209 IonicContact OD2-NE 3.92Å; D84-R209 IonicContact OD2-NH2 3.05Å; D84-R209 PolarHBondContact OD2-NH2 3.46Å; M205-R209 WeakPolarHBondContact O-CG 3.45Å; M205-R209 PolarHBondContact O-N 2.98Å; M205-R209 VanDerWaalsContact O-N 3.11Å; V207-R209 PolarHBondContact O-N 3.42Å
210	T	85.1	Confident	86.2	Confident	55 Å²	55	46.3 Å²	46.3	34%	0.337	24%	0.242	S	C	.	.	H	α-helix	trans	-74.7	-38.5	177.4	-53.4	0	0	0	0	112.5	M206 V207 Q208 A212 A213 A219	M206-T210 WeakPolarHBondContact O-CB 3.34Å; M206-T210 PolarHBondContact O-N 2.68Å; M206-T210 PolarHBondContact O-OG1 3Å; V207-T210 PolarHBondContact O-N 2.85Å; V207-T210 VanDerWaalsContact O-N 3.1Å; Q208-T210 VanDerWaalsContact C-N 3.28Å; Q208-T210 PolarHBondContact O-N 3.1Å; T210-A212 VanDerWaalsContact C-N 3.3Å; T210-A212 PolarHBondContact O-N 3.39Å; T210-A213 VanDerWaalsContact O-CB 3.29Å; T210-A213 WeakPolarHBondContact O-CB 3.33Å; T210-A213 PolarHBondContact O-N 3.41Å; T210-A219 HydrophobicContact CG2-CB 3.93Å
211	L	80	Confident	86.2	Confident	51 Å²	51	42.6 Å²	42.6	27%	0.267	24%	0.236	S	C	.	.	H	α-helix	trans	-71.4	-22.8	177.1	-64.4	176.3	0	0	0	112.7	M1 V207 Q208 A213	M1-L211 HydrophobicContact CG-CD2 3.31Å; M1-L211 HydrophobicContact SD-CB 4.36Å; M1-L211 HydrophobicContact SD-CD2 3.89Å; V207-L211 HydrophobicContact CG1-CD1 3.52Å; V207-L211 HydrophobicContact CG1-CG 4.02Å; V207-L211 WeakPolarHBondContact O-CB 2.96Å; V207-L211 VanDerWaalsContact O-CG 3.24Å; V207-L211 WeakPolarHBondContact O-CG 3.33Å; V207-L211 PolarHBondContact O-N 3.22Å; Q208-L211 PolarHBondContact O-N 3.37Å; L211-A213 PolarHBondContact O-N 3.11Å
212	A	79.3	Confident	86.3	Confident	69 Å²	69	42 Å²	42	57%	0.57	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.8	173.7	0	0	0	0	0	114.1	Q208 T210	Q208-A212 WeakPolarHBondContact O-CB 3.38Å; Q208-A212 PolarHBondContact O-N 2.65Å; T210-A212 VanDerWaalsContact C-N 3.3Å; T210-A212 PolarHBondContact O-N 3.39Å
213	A	84.7	Confident	86.5	Confident	18 Å²	18	45.7 Å²	45.7	15%	0.149	26%	0.257	C	S	.	.	S	Bend	trans	-68.2	145.4	-178.4	0	0	0	0	0	113.3	T210 L211 S215 H218 A219	T210-A213 VanDerWaalsContact O-CB 3.29Å; T210-A213 WeakPolarHBondContact O-CB 3.33Å; T210-A213 PolarHBondContact O-N 3.41Å; L211-A213 PolarHBondContact O-N 3.11Å; A213-S215 VanDerWaalsContact C-N 3.25Å; A213-S215 PolarHBondContact O-N 3.36Å; A213-H218 HydrophobicContact CB-CB 4.28Å; A213-A219 HydrophobicContact CB-CB 3.87Å
214	K	83.6	Confident	86.6	Confident	159 Å²	159	47.1 Å²	47.1	69%	0.691	27%	0.265	S	S	*	.	S	Bend	trans	-66.1	-19.4	-175.6	-65.5	-178.9	-179.8	176.7	0	115.2
215	S	85	Confident	87	Confident	22 Å²	22	52.2 Å²	52.2	15%	0.154	29%	0.29	C	S	.	.	S	Bend	trans	-166.6	168.1	175.9	68.2	0	0	0	0	110.7	A213 S217 H218 A219	A213-S215 VanDerWaalsContact C-N 3.25Å; A213-S215 PolarHBondContact O-N 3.36Å; S215-S217 VanDerWaalsContact C-N 3.26Å; S215-S217 PolarHBondContact O-N 3.31Å; S215-S217 PolarHBondContact OG-OG 3.31Å; S215-H218 PolarHBondContact O-N 2.92Å; S215-H218 VanDerWaalsContact O-N 3.08Å; S215-H218 PolarHBondContact OG-N 3.45Å; S215-H218 PolarHBondContact OG-ND1 3.44Å; S215-A219 PolarHBondContact O-N 3.08Å
216	L	85.6	Confident	87.4	Confident	38 Å²	38	54.1 Å²	54.1	20%	0.199	30%	0.302	C	S	.	.	H	α-helix	trans	-54.8	-38.4	174.1	-178.1	63.2	0	0	0	113.3	A219 Q220 L574 Q576	L216-A219 PolarHBondContact O-N 3.04Å; L216-Q220 HydrophobicContact CD1-CG 4.4Å; L216-Q220 WeakPolarHBondContact O-CG 3.35Å; L216-Q220 PolarHBondContact O-N 2.93Å; L216-L574 HydrophobicContact CD2-CD2 3.99Å; L216-Q576 HydrophobicContact CD2-CG 4.19Å
217	S	90.3	Very high	87.7	Confident	29 Å²	29	54.3 Å²	54.3	20%	0.203	31%	0.31	C	S	.	.	H	α-helix	trans	-68.2	-34.3	177.2	58.5	0	0	0	0	113.1	S215 G221	S215-S217 VanDerWaalsContact C-N 3.26Å; S215-S217 PolarHBondContact O-N 3.31Å; S215-S217 PolarHBondContact OG-OG 3.31Å; S217-G221 PolarHBondContact O-N 2.83Å
218	H	90.1	Very high	88	Confident	108 Å²	108	57 Å²	57	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-70.2	-40.8	173.3	-72.1	86.3	0	0	0	111.3	A213 S215 G221 A222	A213-H218 HydrophobicContact CB-CB 4.28Å; S215-H218 PolarHBondContact O-N 2.92Å; S215-H218 VanDerWaalsContact O-N 3.08Å; S215-H218 PolarHBondContact OG-N 3.45Å; S215-H218 PolarHBondContact OG-ND1 3.44Å; H218-G221 PolarHBondContact O-N 3.41Å; H218-A222 WeakPolarHBondContact O-CB 3.45Å; H218-A222 PolarHBondContact O-N 2.66Å
219	A	90	Very high	88.7	Confident	6 Å²	6	58 Å²	58	5%	0.05	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-53.1	175.2	0	0	0	0	0	111.2	M1 T210 A213 S215 L216 G221 A222 T223	M1-A219 HydrophobicContact CE-CB 4.45Å; T210-A219 HydrophobicContact CG2-CB 3.93Å; A213-A219 HydrophobicContact CB-CB 3.87Å; S215-A219 PolarHBondContact O-N 3.08Å; L216-A219 PolarHBondContact O-N 3.04Å; A219-G221 PolarHBondContact O-N 2.97Å; A219-A222 PolarHBondContact O-N 2.87Å; A219-T223 PolarHBondContact O-N 3.45Å; A219-T223 PolarHBondContact O-OG1 3.41Å
220	Q	92.6	Very high	89.2	Confident	76 Å²	76	59.5 Å²	59.5	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.6	-72.3	178	-14	0	0	112.6	L216 T223 L224 L584	L216-Q220 HydrophobicContact CD1-CG 4.4Å; L216-Q220 WeakPolarHBondContact O-CG 3.35Å; L216-Q220 PolarHBondContact O-N 2.93Å; Q220-T223 PolarHBondContact O-N 3.41Å; Q220-L224 VanDerWaalsContact O-CG 3.31Å; Q220-L224 WeakPolarHBondContact O-CG 3.2Å; Q220-L224 PolarHBondContact O-N 3.49Å; Q220-L584 HydrophobicContact CB-CD1 4.06Å; Q220-L584 HydrophobicContact CB-CD2 4.18Å
221	G	93.5	Very high	89.4	Confident	25 Å²	25	59.9 Å²	59.9	26%	0.258	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-42.8	176.3	0	0	0	0	0	112.5	S217 H218 A219 L224 M225 L584	S217-G221 PolarHBondContact O-N 2.83Å; H218-G221 PolarHBondContact O-N 3.41Å; A219-G221 PolarHBondContact O-N 2.97Å; G221-L224 PolarHBondContact O-N 2.98Å; G221-M225 WeakPolarHBondContact O-CB 3.48Å; G221-M225 PolarHBondContact O-N 3.18Å; G221-L584 VanDerWaalsContact CA-CD2 3.41Å
222	A	92.4	Very high	90	Very high	48 Å²	48	60.5 Å²	60.5	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-47.4	174.2	0	0	0	0	0	111.5	H218 A219 L224 M225 T226	H218-A222 WeakPolarHBondContact O-CB 3.45Å; H218-A222 PolarHBondContact O-N 2.66Å; A219-A222 PolarHBondContact O-N 2.87Å; A222-L224 PolarHBondContact O-N 3.26Å; A222-M225 PolarHBondContact O-N 2.99Å; A222-T226 PolarHBondContact O-N 2.9Å; A222-T226 PolarHBondContact O-OG1 2.91Å; A222-T226 VanDerWaalsContact O-OG1 3.04Å
223	T	93.3	Very high	90.6	Very high	80 Å²	80	59.1 Å²	59.1	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-42.4	178	-49.6	0	0	0	0	112.5	A219 Q220 T226 G227	A219-T223 PolarHBondContact O-N 3.45Å; A219-T223 PolarHBondContact O-OG1 3.41Å; Q220-T223 PolarHBondContact O-N 3.41Å; T223-T226 PolarHBondContact O-N 3.47Å; T223-G227 PolarHBondContact O-N 2.64Å
224	L	93.9	Very high	91	Very high	31 Å²	31	60.5 Å²	60.5	16%	0.162	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-42.5	175.7	-67.4	170.5	0	0	0	111.6	Q220 G221 A222 T226 G227 L228 L584 L588 I591	Q220-L224 VanDerWaalsContact O-CG 3.31Å; Q220-L224 WeakPolarHBondContact O-CG 3.2Å; Q220-L224 PolarHBondContact O-N 3.49Å; G221-L224 PolarHBondContact O-N 2.98Å; A222-L224 PolarHBondContact O-N 3.26Å; L224-T226 VanDerWaalsContact C-N 3.34Å; L224-T226 PolarHBondContact O-N 3.5Å; L224-G227 WeakPolarHBondContact O-CA 3.38Å; L224-G227 PolarHBondContact O-N 2.77Å; L224-G227 VanDerWaalsContact O-N 3.12Å; L224-L228 PolarHBondContact O-N 3.11Å; L224-L584 HydrophobicContact CD1-CB 4.06Å; L224-L584 HydrophobicContact CD1-CD2 3.64Å; L224-L584 HydrophobicContact CD1-CG 4.47Å; L224-L584 VanDerWaalsContact CD1-O 3.26Å; L224-L584 WeakPolarHBondContact CD1-O 3.45Å; L224-L588 HydrophobicContact CD2-CB 3.83Å; L224-L588 HydrophobicContact CD2-CD1 3.85Å; L224-L588 HydrophobicContact CD2-CG 4.44Å; L224-I591 HydrophobicContact CB-CD1 3.83Å; L224-I591 HydrophobicContact CD2-CD1 3.71Å; L224-I591 HydrophobicContact CG-CD1 4.37Å; L224-I591 WeakPolarHBondContact O-CD1 3.43Å
225	M	92.7	Very high	91.5	Very high	111 Å²	111	57.3 Å²	57.3	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-40	176	-169.1	177.9	77.3	0	0	111.7	G221 A222 G227 L228 I229	G221-M225 WeakPolarHBondContact O-CB 3.48Å; G221-M225 PolarHBondContact O-N 3.18Å; A222-M225 PolarHBondContact O-N 2.99Å; M225-G227 VanDerWaalsContact C-N 3.32Å; M225-G227 PolarHBondContact O-N 3.36Å; M225-L228 PolarHBondContact O-N 2.94Å; M225-I229 HydrophobicContact CE-CD1 4.31Å; M225-I229 HydrophobicContact CG-CD1 3.8Å; M225-I229 HydrophobicContact CG-CG1 4.47Å; M225-I229 WeakPolarHBondContact O-CB 3.37Å; M225-I229 VanDerWaalsContact O-CG1 3.31Å; M225-I229 WeakPolarHBondContact O-CG1 3.49Å; M225-I229 PolarHBondContact O-N 3.31Å; M225-I229 HydrophobicContact SD-CD1 4.49Å
226	T	92.9	Very high	92	Very high	52 Å²	52	57.2 Å²	57.2	32%	0.319	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-42.5	171	-59.1	0	0	0	0	111.3	W200 A222 T223 L224 L228 I229 K230	W200-T226 HydrophobicContact CH2-CG2 3.62Å; W200-T226 HydrophobicContact CZ3-CG2 3.8Å; A222-T226 PolarHBondContact O-N 2.9Å; A222-T226 PolarHBondContact O-OG1 2.91Å; A222-T226 VanDerWaalsContact O-OG1 3.04Å; T223-T226 PolarHBondContact O-N 3.47Å; L224-T226 VanDerWaalsContact C-N 3.34Å; L224-T226 PolarHBondContact O-N 3.5Å; T226-L228 PolarHBondContact O-N 2.92Å; T226-I229 PolarHBondContact O-N 2.81Å; T226-K230 HydrophobicContact CG2-CG 4.16Å; T226-K230 VanDerWaalsContact O-CB 3.23Å; T226-K230 WeakPolarHBondContact O-CB 3.5Å; T226-K230 VanDerWaalsContact O-CG 3.23Å; T226-K230 WeakPolarHBondContact O-CG 3.31Å; T226-K230 PolarHBondContact O-N 3.42Å
227	G	92.2	Very high	92.3	Very high	26 Å²	26	60.7 Å²	60.7	27%	0.268	33%	0.328	S	S	.	.	H	α-helix	trans	-59.2	-42.1	175.4	0	0	0	0	0	113.5	T223 L224 M225	T223-G227 PolarHBondContact O-N 2.64Å; L224-G227 WeakPolarHBondContact O-CA 3.38Å; L224-G227 PolarHBondContact O-N 2.77Å; L224-G227 VanDerWaalsContact O-N 3.12Å; M225-G227 VanDerWaalsContact C-N 3.32Å; M225-G227 PolarHBondContact O-N 3.36Å
228	L	91.8	Very high	92.5	Very high	78 Å²	78	63 Å²	63	41%	0.408	34%	0.341	S	S	.	.	H	α-helix	trans	-65.8	-52	174	-72.4	167.4	0	0	0	112.1	L224 M225 T226 K230 Q231 I591 L594	L224-L228 PolarHBondContact O-N 3.11Å; M225-L228 PolarHBondContact O-N 2.94Å; T226-L228 PolarHBondContact O-N 2.92Å; L228-K230 PolarHBondContact O-N 3.25Å; L228-Q231 WeakPolarHBondContact O-CB 3.32Å; L228-Q231 PolarHBondContact O-N 3.03Å; L228-Q231 VanDerWaalsContact O-N 3.1Å; L228-I591 HydrophobicContact CD1-CD1 4.37Å; L228-I591 HydrophobicContact CD1-CG1 4.41Å; L228-I591 HydrophobicContact CD2-CD1 4.29Å; L228-I591 HydrophobicContact CD2-CG1 3.52Å; L228-I591 HydrophobicContact CG-CD1 3.83Å; L228-I591 HydrophobicContact CG-CG1 3.62Å; L228-L594 HydrophobicContact CD2-CD1 4.26Å
229	I	92.3	Very high	92.8	Very high	50 Å²	50	58.5 Å²	58.5	26%	0.256	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-33.6	-177.7	-68.4	167.7	0	0	0	111.1	F88 M225 T226 Q231 I232 P233	F88-I229 HydrophobicContact CE2-CD1 4.38Å; F88-I229 HydrophobicContact CE2-CG2 3.85Å; F88-I229 HydrophobicContact CZ-CD1 3.88Å; F88-I229 HydrophobicContact CZ-CG2 4.21Å; M225-I229 HydrophobicContact CE-CD1 4.31Å; M225-I229 HydrophobicContact CG-CD1 3.8Å; M225-I229 HydrophobicContact CG-CG1 4.47Å; M225-I229 WeakPolarHBondContact O-CB 3.37Å; M225-I229 VanDerWaalsContact O-CG1 3.31Å; M225-I229 WeakPolarHBondContact O-CG1 3.49Å; M225-I229 PolarHBondContact O-N 3.31Å; M225-I229 HydrophobicContact SD-CD1 4.49Å; T226-I229 PolarHBondContact O-N 2.81Å; I229-Q231 PolarHBondContact O-N 2.82Å; I229-Q231 VanDerWaalsContact O-N 3.16Å; I229-I232 WeakPolarHBondContact O-CB 3.13Å; I229-I232 WeakPolarHBondContact O-CG1 3.21Å; I229-I232 PolarHBondContact O-N 2.98Å; I229-P233 WeakPolarHBondContact O-CD 3.38Å
230	K	91.6	Very high	93.1	Very high	117 Å²	117	58.2 Å²	58.2	51%	0.509	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.5	177	-82.1	-82.6	178.4	170.1	0	115	W200 T226 L228 P233	W200-K230 HydrophobicContact CZ2-CD 4.34Å; W200-K230 HydrophobicContact CZ2-CG 4.41Å; T226-K230 HydrophobicContact CG2-CG 4.16Å; T226-K230 VanDerWaalsContact O-CB 3.23Å; T226-K230 WeakPolarHBondContact O-CB 3.5Å; T226-K230 VanDerWaalsContact O-CG 3.23Å; T226-K230 WeakPolarHBondContact O-CG 3.31Å; T226-K230 PolarHBondContact O-N 3.42Å; L228-K230 PolarHBondContact O-N 3.25Å; K230-P233 WeakPolarHBondContact O-CD 3.33Å
231	Q	89.6	Confident	93.3	Very high	63 Å²	63	55.4 Å²	55.4	29%	0.294	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-19.7	169.2	-56.5	-63.9	17.9	0	0	113.2	L228 I229 T595	L228-Q231 WeakPolarHBondContact O-CB 3.32Å; L228-Q231 PolarHBondContact O-N 3.03Å; L228-Q231 VanDerWaalsContact O-N 3.1Å; I229-Q231 PolarHBondContact O-N 2.82Å; I229-Q231 VanDerWaalsContact O-N 3.16Å; Q231-T595 PolarHBondContact NE2-OG1 2.85Å
232	I	92.5	Very high	93.4	Very high	65 Å²	65	55.4 Å²	55.4	33%	0.333	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-37.1	-176.8	-53.9	175.2	0	0	0	113.7	I229 I234 F235 I236	I229-I232 WeakPolarHBondContact O-CB 3.13Å; I229-I232 WeakPolarHBondContact O-CG1 3.21Å; I229-I232 PolarHBondContact O-N 2.98Å; I232-I234 PolarHBondContact O-N 3.39Å; I232-F235 PolarHBondContact O-N 2.88Å; I232-I236 HydrophobicContact CG2-CB 4.46Å; I232-I236 HydrophobicContact CG2-CD1 3.83Å; I232-I236 HydrophobicContact CG2-CG1 3.97Å; I232-I236 HydrophobicContact CG2-CG2 3.73Å; I232-I236 PolarHBondContact O-N 3.49Å; I232-I236 VanDerWaalsContact O-N 3.13Å
233	P	93	Very high	93.7	Very high	39 Å²	39	53.1 Å²	53.1	25%	0.253	29%	0.285	S	S	.	.	H	α-helix	trans	-53	-25.3	-179.9	-32.2	37.9	0	0	0	116.9	I229 K230 F235 M237 V238	I229-P233 WeakPolarHBondContact O-CD 3.38Å; K230-P233 WeakPolarHBondContact O-CD 3.33Å; P233-F235 PolarHBondContact O-N 2.89Å; P233-M237 HydrophobicContact CB-CB 4.47Å; P233-M237 WeakPolarHBondContact O-CA 3.42Å; P233-M237 VanDerWaalsContact O-CB 3.26Å; P233-M237 WeakPolarHBondContact O-CB 3.48Å; P233-M237 PolarHBondContact O-N 2.91Å; P233-V238 PolarHBondContact O-N 3.35Å
234	I	92.3	Very high	93.9	Very high	47 Å²	47	49.3 Å²	49.3	24%	0.241	26%	0.261	C	S	.	.	I	π-helix	trans	-58	-42.9	172.3	-63.4	176	0	0	0	109.9	I232 I239	I232-I234 PolarHBondContact O-N 3.39Å; I234-I239 WeakPolarHBondContact O-CG1 3.46Å; I234-I239 PolarHBondContact O-N 3.04Å
235	F	94.2	Very high	94	Very high	93 Å²	93	49.5 Å²	49.5	41%	0.408	26%	0.26	S	S	.	.	I	π-helix	trans	-83.5	-36.5	-178.6	-54.6	-79	0	0	0	113.6	T99 I232 P233 I239 P240 Y602	T99-F235 VanDerWaalsContact CG2-O 3.26Å; T99-F235 WeakPolarHBondContact CG2-O 3.2Å; I232-F235 PolarHBondContact O-N 2.88Å; P233-F235 PolarHBondContact O-N 2.89Å; F235-I239 HydrophobicContact CD1-CD1 4.13Å; F235-P240 WeakPolarHBondContact O-CD 3.4Å; F235-Y602 VanDerWaalsContact CZ-OH 3.23Å; F235-Y602 WeakPolarHBondContact CZ-OH 3.49Å
236	I	94.6	Very high	94.2	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.103	24%	0.242	C	C	.	.	I	π-helix	trans	-99.5	-3.7	-173.1	69.8	169.9	0	0	0	115.2	I92 A95 T99 I232 Y275	I92-I236 HydrophobicContact CD1-CD1 3.71Å; A95-I236 HydrophobicContact CB-CB 4.02Å; A95-I236 HydrophobicContact CB-CD1 4.07Å; A95-I236 HydrophobicContact CB-CG1 4.39Å; T99-I236 WeakPolarHBondContact OG1-CA 3.27Å; I232-I236 HydrophobicContact CG2-CB 4.46Å; I232-I236 HydrophobicContact CG2-CD1 3.83Å; I232-I236 HydrophobicContact CG2-CG1 3.97Å; I232-I236 HydrophobicContact CG2-CG2 3.73Å; I232-I236 PolarHBondContact O-N 3.49Å; I232-I236 VanDerWaalsContact O-N 3.13Å; I236-Y275 WeakPolarHBondContact O-CE2 3.23Å
237	M	92.9	Very high	94.4	Very high	110 Å²	110	45.7 Å²	45.7	54%	0.542	24%	0.24	S	C	.	.	I	π-helix	trans	-136.4	-53.6	-178.1	-171.8	-170.9	-65.8	0	0	111.7	P233 G241 Y275	P233-M237 HydrophobicContact CB-CB 4.47Å; P233-M237 WeakPolarHBondContact O-CA 3.42Å; P233-M237 VanDerWaalsContact O-CB 3.26Å; P233-M237 WeakPolarHBondContact O-CB 3.48Å; P233-M237 PolarHBondContact O-N 2.91Å; M237-G241 PolarHBondContact O-N 3.03Å; M237-Y275 HydrophobicContact CG-CD2 4.43Å
238	V	94.5	Very high	94.6	Very high	78 Å²	78	46.3 Å²	46.3	47%	0.473	24%	0.235	S	C	.	.	I	π-helix	trans	-69.1	-55.5	-176.3	-176.9	0	0	0	0	111.3	P233 G241 M242	P233-V238 PolarHBondContact O-N 3.35Å; V238-G241 WeakPolarHBondContact O-CA 3.39Å; V238-G241 PolarHBondContact O-N 3.45Å; V238-G241 VanDerWaalsContact O-N 3.13Å; V238-M242 HydrophobicContact CG1-SD 4.46Å; V238-M242 WeakPolarHBondContact O-CG 3.21Å; V238-M242 PolarHBondContact O-N 3.48Å
239	I	95.9	Very high	94.8	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-43.9	-179.9	-68.8	169.9	0	0	0	112.5	F103 F109 L112 I234 F235 G241 M242 I243	F103-I239 HydrophobicContact CE1-CG2 3.93Å; F103-I239 HydrophobicContact CE2-CG2 4.3Å; F103-I239 HydrophobicContact CZ-CG2 3.53Å; F109-I239 HydrophobicContact CE2-CD1 4.39Å; L112-I239 HydrophobicContact CD2-CG2 3.68Å; I234-I239 WeakPolarHBondContact O-CG1 3.46Å; I234-I239 PolarHBondContact O-N 3.04Å; F235-I239 HydrophobicContact CD1-CD1 4.13Å; I239-G241 VanDerWaalsContact C-N 3.31Å; I239-G241 PolarHBondContact O-N 2.89Å; I239-M242 WeakPolarHBondContact O-CA 3.36Å; I239-M242 WeakPolarHBondContact O-CB 3.39Å; I239-M242 PolarHBondContact O-N 3.12Å; I239-M242 VanDerWaalsContact O-N 3.07Å; I239-I243 HydrophobicContact CG2-CD1 3.9Å; I239-I243 HydrophobicContact CG2-CG1 4.33Å; I239-I243 WeakPolarHBondContact O-CG1 3.46Å; I239-I243 PolarHBondContact O-N 3.5Å
240	P	96.8	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-41.7	171.3	-29.1	37.1	0	0	0	112.8	T99 F235 M242 I243 S244 Y275 L278	T99-P240 HydrophobicContact CG2-CG 4.21Å; T99-P240 WeakPolarHBondContact OG1-CG 3.1Å; F235-P240 WeakPolarHBondContact O-CD 3.4Å; P240-M242 VanDerWaalsContact C-N 3.34Å; P240-M242 PolarHBondContact O-N 2.9Å; P240-I243 PolarHBondContact O-N 3.3Å; P240-S244 PolarHBondContact O-N 3.3Å; P240-Y275 HydrophobicContact CB-CD2 4.3Å; P240-Y275 HydrophobicContact CB-CE2 4.23Å; P240-L278 HydrophobicContact CB-CD2 3.52Å; P240-L278 VanDerWaalsContact O-CD2 3.22Å; P240-L278 WeakPolarHBondContact O-CD2 3.28Å
241	G	95.6	Very high	95	Very high	17 Å²	17	41.8 Å²	41.8	18%	0.175	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-40	172.1	0	0	0	0	0	113.4	M237 V238 I239 S244 R245	M237-G241 PolarHBondContact O-N 3.03Å; V238-G241 WeakPolarHBondContact O-CA 3.39Å; V238-G241 PolarHBondContact O-N 3.45Å; V238-G241 VanDerWaalsContact O-N 3.13Å; I239-G241 VanDerWaalsContact C-N 3.31Å; I239-G241 PolarHBondContact O-N 2.89Å; G241-S244 WeakPolarHBondContact O-CB 3.41Å; G241-S244 PolarHBondContact O-N 3.46Å; G241-R245 PolarHBondContact O-N 3.12Å
242	M	96.1	Very high	95.2	Very high	25 Å²	25	39.2 Å²	39.2	12%	0.123	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-43.1	173.3	-65	177.8	74.8	0	0	112.1	L112 Y116 A171 F172 V238 I239 P240 S244 R245 V246	L112-M242 HydrophobicContact CD1-CB 4.4Å; Y116-M242 HydrophobicContact CD2-CB 4.19Å; Y116-M242 HydrophobicContact CD2-CE 4.22Å; Y116-M242 HydrophobicContact CE1-CE 4.25Å; Y116-M242 HydrophobicContact CE2-CB 3.69Å; Y116-M242 HydrophobicContact CE2-CE 3.91Å; Y116-M242 HydrophobicContact CE2-CG 4.13Å; Y116-M242 WeakPolarHBondContact CE2-O 3.48Å; A171-M242 HydrophobicContact CB-CE 4.09Å; F172-M242 HydrophobicContact CD1-CE 3.85Å; F172-M242 HydrophobicContact CD2-CE 4.41Å; F172-M242 HydrophobicContact CE1-CE 3.43Å; F172-M242 VanDerWaalsContact CE1-CE 3.43Å; F172-M242 HydrophobicContact CE1-SD 4.36Å; F172-M242 HydrophobicContact CE2-CE 4.05Å; F172-M242 HydrophobicContact CG-CE 4.33Å; F172-M242 HydrophobicContact CZ-CE 3.54Å; V238-M242 HydrophobicContact CG1-SD 4.46Å; V238-M242 WeakPolarHBondContact O-CG 3.21Å; V238-M242 PolarHBondContact O-N 3.48Å; I239-M242 WeakPolarHBondContact O-CA 3.36Å; I239-M242 WeakPolarHBondContact O-CB 3.39Å; I239-M242 PolarHBondContact O-N 3.12Å; I239-M242 VanDerWaalsContact O-N 3.07Å; P240-M242 VanDerWaalsContact C-N 3.34Å; P240-M242 PolarHBondContact O-N 2.9Å; M242-S244 VanDerWaalsContact C-N 3.29Å; M242-S244 PolarHBondContact O-N 3.41Å; M242-R245 PolarHBondContact O-N 3.37Å; M242-V246 PolarHBondContact O-N 3.48Å
243	I	98.4	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-39.2	176	-67.1	167.1	0	0	0	110.7	F103 V106 L112 I239 P240 R245 V246 L247 L278	F103-I243 HydrophobicContact CD1-CD1 3.93Å; F103-I243 HydrophobicContact CE1-CD1 4.06Å; F103-I243 HydrophobicContact CG-CD1 4.3Å; V106-I243 HydrophobicContact CB-CG1 4.43Å; V106-I243 HydrophobicContact CB-CG2 3.91Å; V106-I243 HydrophobicContact CG1-CD1 4.07Å; V106-I243 HydrophobicContact CG1-CG1 4.1Å; V106-I243 HydrophobicContact CG1-CG2 4.36Å; V106-I243 HydrophobicContact CG2-CG2 4.25Å; L112-I243 HydrophobicContact CD1-CG1 3.9Å; L112-I243 HydrophobicContact CD2-CD1 4.45Å; L112-I243 HydrophobicContact CD2-CG1 3.94Å; L112-I243 HydrophobicContact CG-CG1 4.36Å; I239-I243 HydrophobicContact CG2-CD1 3.9Å; I239-I243 HydrophobicContact CG2-CG1 4.33Å; I239-I243 WeakPolarHBondContact O-CG1 3.46Å; I239-I243 PolarHBondContact O-N 3.5Å; P240-I243 PolarHBondContact O-N 3.3Å; I243-R245 VanDerWaalsContact C-N 3.29Å; I243-R245 PolarHBondContact O-N 2.93Å; I243-V246 WeakPolarHBondContact O-CA 3.42Å; I243-V246 WeakPolarHBondContact O-CB 3.47Å; I243-V246 PolarHBondContact O-N 2.83Å; I243-L247 HydrophobicContact CG2-CD1 3.8Å; I243-L247 HydrophobicContact CG2-CG 4.07Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 2.94Å; I243-L278 HydrophobicContact CG2-CD1 4.5Å
244	S	97.6	Very high	95.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-40.1	176	-169.2	0	0	0	0	112.5	P240 G241 M242 V246 L247 Y248 A274	P240-S244 PolarHBondContact O-N 3.3Å; G241-S244 WeakPolarHBondContact O-CB 3.41Å; G241-S244 PolarHBondContact O-N 3.46Å; M242-S244 VanDerWaalsContact C-N 3.29Å; M242-S244 PolarHBondContact O-N 3.41Å; S244-V246 VanDerWaalsContact C-N 3.28Å; S244-V246 PolarHBondContact O-N 3.11Å; S244-L247 PolarHBondContact O-N 3.03Å; S244-Y248 WeakPolarHBondContact O-CB 3.41Å; S244-Y248 WeakPolarHBondContact O-CD2 3.4Å; S244-Y248 PolarHBondContact O-N 3.36Å; S244-A274 WeakPolarHBondContact CB-O 3.25Å; S244-A274 PolarHBondContact OG-O 2.94Å
245	R	96.5	Very high	95.1	Very high	35 Å²	35	33.3 Å²	33.3	13%	0.132	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-35.2	173.1	-166.5	-171.1	179	114.2	-6.9	112.9	Y116 A119 S165 L166 G241 M242 I243 P249 I252	Y116-R245 HydrophobicContact CE2-CB 4.4Å; A119-R245 HydrophobicContact CB-CG 4.14Å; A119-R245 PolarHBondContact O-NE 3.21Å; A119-R245 VanDerWaalsContact O-NE 3.14Å; S165-R245 PolarHBondContact O-NH2 3.21Å; L166-R245 PolarHBondContact O-NH2 3.03Å; G241-R245 PolarHBondContact O-N 3.12Å; M242-R245 PolarHBondContact O-N 3.37Å; I243-R245 VanDerWaalsContact C-N 3.29Å; I243-R245 PolarHBondContact O-N 2.93Å; R245-P249 WeakPolarHBondContact O-CA 3.38Å; R245-I252 HydrophobicContact CB-CB 4.49Å; R245-I252 HydrophobicContact CB-CG2 3.97Å; R245-I252 HydrophobicContact CG-CB 4.49Å; R245-I252 HydrophobicContact CG-CG2 4.11Å
246	V	97	Very high	94.8	Very high	27 Å²	27	29.3 Å²	29.3	16%	0.164	16%	0.156	C	C	.	.	H	α-helix	trans	-70.1	-39.8	177.5	-175.6	0	0	0	0	111.6	V106 L112 A115 Y116 A119 M242 I243 S244	V106-V246 HydrophobicContact CG2-CB 4.28Å; V106-V246 HydrophobicContact CG2-CG1 3.96Å; L112-V246 HydrophobicContact CD1-CG2 3.85Å; A115-V246 HydrophobicContact CB-CG1 3.55Å; Y116-V246 HydrophobicContact CD2-CG2 3.78Å; Y116-V246 HydrophobicContact CG-CG2 4.46Å; A119-V246 HydrophobicContact CB-CG2 4.14Å; M242-V246 PolarHBondContact O-N 3.48Å; I243-V246 WeakPolarHBondContact O-CA 3.42Å; I243-V246 WeakPolarHBondContact O-CB 3.47Å; I243-V246 PolarHBondContact O-N 2.83Å; S244-V246 VanDerWaalsContact C-N 3.28Å; S244-V246 PolarHBondContact O-N 3.11Å
247	L	97.3	Very high	94.5	Very high	55 Å²	55	29.1 Å²	29.1	29%	0.288	16%	0.159	S	C	.	.	H	α-helix	trans	-79.9	-32.2	-178.1	-62.4	179.4	0	0	0	112.7	K105 I243 S244 P249 L278 L282	K105-L247 HydrophobicContact CB-CD1 3.99Å; K105-L247 HydrophobicContact CB-CD2 4.3Å; I243-L247 HydrophobicContact CG2-CD1 3.8Å; I243-L247 HydrophobicContact CG2-CG 4.07Å; I243-L247 WeakPolarHBondContact O-CG 3.32Å; I243-L247 PolarHBondContact O-N 2.94Å; S244-L247 PolarHBondContact O-N 3.03Å; L247-P249 WeakPolarHBondContact O-CD 3.28Å; L247-L278 HydrophobicContact CD1-CD1 3.95Å; L247-L282 HydrophobicContact CD1-CD1 4.23Å; L247-L282 HydrophobicContact CD1-CD2 4.13Å
248	Y	96.6	Very high	94.2	Very high	39 Å²	39	26.1 Å²	26.1	15%	0.153	15%	0.149	C	C	.	.			trans	-125.1	54.5	-174.8	-53.6	-77.2	0	0	0	112.3	S244 N250 E251 I252 K277 L278 D281 L282	S244-Y248 WeakPolarHBondContact O-CB 3.41Å; S244-Y248 WeakPolarHBondContact O-CD2 3.4Å; S244-Y248 PolarHBondContact O-N 3.36Å; Y248-N250 VanDerWaalsContact C-N 3.3Å; Y248-N250 PolarHBondContact O-N 2.72Å; Y248-E251 PolarHBondContact O-N 3.36Å; Y248-E251 VanDerWaalsContact O-N 3.15Å; Y248-I252 PolarHBondContact O-N 3.46Å; Y248-K277 HydrophobicContact CD1-CG 4.13Å; Y248-K277 HydrophobicContact CD2-CG 3.78Å; Y248-K277 HydrophobicContact CE1-CG 4.38Å; Y248-K277 HydrophobicContact CE2-CG 4.08Å; Y248-K277 HydrophobicContact CG-CG 3.85Å; Y248-L278 HydrophobicContact CE2-CD1 4.36Å; Y248-D281 HydrophobicContact CE1-CB 4.46Å; Y248-D281 WeakPolarHBondContact CE1-OD2 3.32Å; Y248-D281 VanDerWaalsContact CZ-OD2 3.27Å; Y248-D281 WeakPolarHBondContact OH-CB 3.24Å; Y248-D281 PolarHBondContact OH-OD2 2.62Å; Y248-D281 VanDerWaalsContact OH-OD2 3.05Å; Y248-L282 HydrophobicContact CE2-CD1 4.21Å; Y248-L282 VanDerWaalsContact OH-CD1 3.29Å; Y248-L282 WeakPolarHBondContact OH-CD1 3.34Å
249	P	95.2	Very high	93.9	Very high	27 Å²	27	24.9 Å²	24.9	18%	0.175	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-34.4	-173	26.8	-35.2	0	0	0	112.5	A121 R245 L247 E251 G253	A121-P249 WeakPolarHBondContact CB-O 3.29Å; R245-P249 WeakPolarHBondContact O-CA 3.38Å; L247-P249 WeakPolarHBondContact O-CD 3.28Å; P249-E251 PolarHBondContact O-N 3.16Å; P249-G253 CarbonylContact O-C 3.59Å; P249-G253 WeakPolarHBondContact O-CA 3.32Å; P249-G253 PolarHBondContact O-N 3.34Å
250	N	94.8	Very high	93.7	Very high	70 Å²	70	24.2 Å²	24.2	37%	0.374	14%	0.136	S	C	.	.	H	α-helix	trans	-66.3	-23	178.4	-67.1	-19.1	0	0	0	113.3	A121 E122 Y248	A121-N250 WeakPolarHBondContact CA-OD1 3.38Å; E122-N250 WeakPolarHBondContact CG-OD1 3.38Å; E122-N250 PolarHBondContact N-OD1 3.23Å; E122-N250 PolarHBondContact OE2-ND2 3.29Å; Y248-N250 VanDerWaalsContact C-N 3.3Å; Y248-N250 PolarHBondContact O-N 2.72Å
251	E	93.7	Very high	93.3	Very high	54 Å²	54	27.6 Å²	27.6	25%	0.252	15%	0.154	S	C	.	.	H	α-helix	trans	-102.6	-54.6	-177.5	-62.8	175.2	-106	0	0	111.2	Y248 P249 C254 V263 C270 M273 K277	Y248-E251 PolarHBondContact O-N 3.36Å; Y248-E251 VanDerWaalsContact O-N 3.15Å; P249-E251 PolarHBondContact O-N 3.16Å; E251-C254 WeakPolarHBondContact O-CB 3.27Å; E251-C254 PolarHBondContact O-SG 3.49Å; E251-C254 VanDerWaalsContact O-SG 3.36Å; E251-V263 HydrophobicContact CB-CG1 3.79Å; E251-V263 HydrophobicContact CG-CG1 4.12Å; E251-C270 WeakPolarHBondContact O-CB 3.28Å; E251-M273 HydrophobicContact CB-CE 4.08Å; E251-M273 VanDerWaalsContact OE2-CE 3.27Å; E251-M273 WeakPolarHBondContact OE2-CE 3.47Å; E251-K277 WeakPolarHBondContact OE1-CE 3.1Å; E251-K277 IonicContact OE1-NZ 4Å; E251-K277 WeakPolarHBondContact OE2-CE 3.29Å; E251-K277 IonicContact OE2-NZ 2.79Å; E251-K277 PolarHBondContact OE2-NZ 3.17Å
252	I	94.1	Very high	93	Very high	9 Å²	9	34 Å²	34	5%	0.046	18%	0.177	C	C	.	.	H	α-helix	trans	-81.3	-31.2	-175.7	-54.5	-52.6	0	0	0	111.9	R245 Y248 M273 A274	R245-I252 HydrophobicContact CB-CB 4.49Å; R245-I252 HydrophobicContact CB-CG2 3.97Å; R245-I252 HydrophobicContact CG-CB 4.49Å; R245-I252 HydrophobicContact CG-CG2 4.11Å; Y248-I252 PolarHBondContact O-N 3.46Å; I252-M273 HydrophobicContact CD1-CB 3.94Å; I252-M273 HydrophobicContact CD1-CE 4.43Å; I252-M273 HydrophobicContact CD1-CG 4.15Å; I252-M273 HydrophobicContact CD1-SD 4.42Å; I252-A274 HydrophobicContact CD1-CB 4.18Å; I252-A274 HydrophobicContact CG1-CB 4.36Å; I252-A274 HydrophobicContact CG2-CB 3.83Å
253	G	91.3	Very high	92.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	23.4	175.7	0	0	0	0	0	113.5	A121 P249	A121-G253 VanDerWaalsContact CB-O 3.32Å; A121-G253 WeakPolarHBondContact CB-O 3.48Å; P249-G253 CarbonylContact O-C 3.59Å; P249-G253 WeakPolarHBondContact O-CA 3.32Å; P249-G253 PolarHBondContact O-N 3.34Å
254	C	92.4	Very high	92.1	Very high	7 Å²	7	37 Å²	37	5%	0.047	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-51.6	153.6	178.9	59	0	0	0	0	113	E251 C260 V263 C270	E251-C254 WeakPolarHBondContact O-CB 3.27Å; E251-C254 PolarHBondContact O-SG 3.49Å; E251-C254 VanDerWaalsContact O-SG 3.36Å; C254-C260 HydrophobicContact CB-CB 4.08Å; C254-C260 WeakPolarHBondContact CB-SG 3.42Å; C254-C260 PolarHBondContact O-SG 2.92Å; C254-C260 VanDerWaalsContact O-SG 3.33Å; C254-C260 WeakPolarHBondContact SG-CA 3.14Å; C254-C260 WeakPolarHBondContact SG-CB 3.47Å; C254-C260 CovalentContact SG-SG 2.04Å; C254-C260 PolarHBondContact SG-SG 3.5Å; C254-V263 HydrophobicContact CB-CG2 4.46Å; C254-C270 PolarHBondContact SG-SG 3.31Å
255	F	91	Very high	91.5	Very high	18 Å²	18	39.3 Å²	39.3	8%	0.079	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-73.8	127.4	174	-78	-114.4	0	0	0	109.7	A121 V123 L133 R161 L162 S165 D259 C260 L614	A121-F255 HydrophobicContact CB-CD2 3.93Å; A121-F255 HydrophobicContact CB-CE2 3.89Å; V123-F255 HydrophobicContact CG2-CE1 4.41Å; V123-F255 HydrophobicContact CG2-CE2 3.91Å; V123-F255 HydrophobicContact CG2-CZ 3.56Å; L133-F255 HydrophobicContact CD2-CE1 4.28Å; R161-F255 HydrophobicContact CB-CD1 3.9Å; L162-F255 HydrophobicContact CB-CE1 3.98Å; L162-F255 HydrophobicContact CD1-CE1 4.01Å; L162-F255 HydrophobicContact CD1-CZ 3.86Å; S165-F255 WeakPolarHBondContact OG-CE1 3.23Å; S165-F255 WeakPolarHBondContact OG-CE2 3.23Å; S165-F255 VanDerWaalsContact OG-CZ 3.29Å; S165-F255 WeakPolarHBondContact OG-CZ 3.42Å; F255-D259 HydrophobicContact CB-CB 4.48Å; F255-C260 VanDerWaalsContact C-SG 3.53Å; F255-C260 PolarHBondContact O-N 3.05Å; F255-C260 PolarHBondContact O-SG 3.42Å; F255-L614 HydrophobicContact CZ-CD1 4.5Å
256	P	89.5	Confident	90.9	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.058	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	151.2	179.2	-27.8	35.9	0	0	0	113.2	R161 C164 R267 I419 C420	R161-P256 WeakPolarHBondContact CD-O 3.41Å; C164-P256 HydrophobicContact CB-CG 4.07Å; P256-R267 CarbonylContact C-O 3.6Å; P256-R267 WeakPolarHBondContact CA-O 3.22Å; P256-I419 HydrophobicContact CB-CG2 4.42Å; P256-C420 HydrophobicContact CG-CB 4.46Å
257	G	87.1	Confident	90.3	Very high	17 Å²	17	44.4 Å²	44.4	18%	0.175	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-120	-176.2	0	0	0	0	0	112.4	L261 R267	G257-L261 VanDerWaalsContact O-CB 3.24Å; G257-L261 WeakPolarHBondContact O-CB 3.35Å; G257-L261 PolarHBondContact O-N 3.34Å; G257-R267 PolarHBondContact N-O 2.97Å
258	S	86.6	Confident	89.6	Confident	46 Å²	46	44.8 Å²	44.8	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-69.8	-30.7	-170.6	49.9	0	0	0	0	114.3	K262	S258-K262 WeakPolarHBondContact O-CD 3.31Å; S258-K262 WeakPolarHBondContact O-CE 3.5Å; S258-K262 VanDerWaalsContact O-CG 3.29Å; S258-K262 WeakPolarHBondContact O-CG 3.35Å; S258-K262 PolarHBondContact O-N 3.43Å
259	D	89.3	Confident	89.2	Confident	53 Å²	53	43.5 Å²	43.5	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-83.4	-48.4	-175.1	-61.3	-44.2	0	0	0	112	F255 L261 K262 V263	F255-D259 HydrophobicContact CB-CB 4.48Å; D259-L261 PolarHBondContact O-N 2.96Å; D259-K262 WeakPolarHBondContact O-CB 3.48Å; D259-K262 PolarHBondContact O-N 2.79Å; D259-K262 IonicContact OD1-NZ 3.45Å; D259-K262 PolarHBondContact OD1-NZ 2.82Å; D259-V263 WeakPolarHBondContact O-CG2 3.38Å; D259-V263 PolarHBondContact O-N 3.42Å; D259-V263 VanDerWaalsContact O-N 3.08Å
260	C	90.4	Very high	89.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-33.9	169.7	-64.1	0	0	0	0	112.9	C254 F255 K262 V263 C264 H266	C254-C260 HydrophobicContact CB-CB 4.08Å; C254-C260 WeakPolarHBondContact CB-SG 3.42Å; C254-C260 PolarHBondContact O-SG 2.92Å; C254-C260 VanDerWaalsContact O-SG 3.33Å; C254-C260 WeakPolarHBondContact SG-CA 3.14Å; C254-C260 WeakPolarHBondContact SG-CB 3.47Å; C254-C260 CovalentContact SG-SG 2.04Å; C254-C260 PolarHBondContact SG-SG 3.5Å; F255-C260 VanDerWaalsContact C-SG 3.53Å; F255-C260 PolarHBondContact O-N 3.05Å; F255-C260 PolarHBondContact O-SG 3.42Å; C260-K262 VanDerWaalsContact C-N 3.32Å; C260-K262 PolarHBondContact O-N 2.98Å; C260-V263 PolarHBondContact O-N 3.39Å; C260-C264 PolarHBondContact O-N 3.13Å; C260-H266 CarbonylContact C-O 3.43Å; C260-H266 WeakPolarHBondContact CB-O 3.34Å
261	L	88.7	Confident	88.9	Confident	71 Å²	71	41.4 Å²	41.4	37%	0.372	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-35.9	174.8	-176.5	66	0	0	0	112.6	G257 D259 G265 H266 R267	G257-L261 VanDerWaalsContact O-CB 3.24Å; G257-L261 WeakPolarHBondContact O-CB 3.35Å; G257-L261 PolarHBondContact O-N 3.34Å; D259-L261 PolarHBondContact O-N 2.96Å; L261-G265 WeakPolarHBondContact CD1-O 3.1Å; L261-G265 VanDerWaalsContact O-CA 3.27Å; L261-G265 WeakPolarHBondContact O-CA 3.45Å; L261-G265 PolarHBondContact O-N 2.95Å; L261-G265 VanDerWaalsContact O-N 3.15Å; L261-H266 PolarHBondContact N-O 2.83Å; L261-R267 HydrophobicContact CB-CG 4.27Å; L261-R267 HydrophobicContact CD1-CG 4.18Å; L261-R267 HydrophobicContact CD2-CG 4.4Å
262	K	89.2	Confident	88.8	Confident	152 Å²	152	40.8 Å²	40.8	66%	0.661	23%	0.229	S	C	*	.	H	α-helix	trans	-73.6	-36.2	175.3	-65.3	160.1	-161.1	159.2	0	112.2	S258 D259 C260	S258-K262 WeakPolarHBondContact O-CD 3.31Å; S258-K262 WeakPolarHBondContact O-CE 3.5Å; S258-K262 VanDerWaalsContact O-CG 3.29Å; S258-K262 WeakPolarHBondContact O-CG 3.35Å; S258-K262 PolarHBondContact O-N 3.43Å; D259-K262 WeakPolarHBondContact O-CB 3.48Å; D259-K262 PolarHBondContact O-N 2.79Å; D259-K262 IonicContact OD1-NZ 3.45Å; D259-K262 PolarHBondContact OD1-NZ 2.82Å; C260-K262 VanDerWaalsContact C-N 3.32Å; C260-K262 PolarHBondContact O-N 2.98Å
263	V	89.4	Confident	88.7	Confident	55 Å²	55	41.2 Å²	41.2	33%	0.333	23%	0.231	S	C	.	.	H	α-helix	trans	-72.3	-58.4	-178.1	173.1	0	0	0	0	111.3	E251 C254 D259 C260 M273	E251-V263 HydrophobicContact CB-CG1 3.79Å; E251-V263 HydrophobicContact CG-CG1 4.12Å; C254-V263 HydrophobicContact CB-CG2 4.46Å; D259-V263 WeakPolarHBondContact O-CG2 3.38Å; D259-V263 PolarHBondContact O-N 3.42Å; D259-V263 VanDerWaalsContact O-N 3.08Å; C260-V263 PolarHBondContact O-N 3.39Å; V263-M273 HydrophobicContact CG1-CE 4.16Å; V263-M273 HydrophobicContact CG1-SD 4.24Å
264	C	87.1	Confident	88.8	Confident	32 Å²	32	41.6 Å²	41.6	22%	0.216	23%	0.234	C	C	.	.	H	α-helix	trans	-126.8	11.3	-168.4	69.4	0	0	0	0	114.1	C260 H266 C270 M273	C260-C264 PolarHBondContact O-N 3.13Å; C264-H266 PolarHBondContact O-N 3.38Å; C264-H266 PolarHBondContact O-ND1 3.18Å; C264-C270 HydrophobicContact CB-CB 3.74Å; C264-C270 WeakPolarHBondContact CB-SG 3.49Å; C264-C270 WeakPolarHBondContact SG-CA 3.31Å; C264-C270 WeakPolarHBondContact SG-CB 3.48Å; C264-C270 CovalentContact SG-SG 2.03Å; C264-C270 PolarHBondContact SG-SG 3.2Å; C264-M273 HydrophobicContact CB-SD 3.79Å
265	G	84.1	Confident	88.8	Confident	49 Å²	49	43.2 Å²	43.2	51%	0.505	24%	0.24	S	C	.	.	S	Bend	trans	73.4	7.6	-179.9	0	0	0	0	0	115.3	L261	L261-G265 WeakPolarHBondContact CD1-O 3.1Å; L261-G265 VanDerWaalsContact O-CA 3.27Å; L261-G265 WeakPolarHBondContact O-CA 3.45Å; L261-G265 PolarHBondContact O-N 2.95Å; L261-G265 VanDerWaalsContact O-N 3.15Å
266	H	84.6	Confident	88.8	Confident	25 Å²	25	42.9 Å²	42.9	12%	0.116	24%	0.24	C	C	.	.			trans	-127.5	134.6	-177	-61.5	86.6	0	0	0	111.4	Y43 C260 L261 C264 Q354	Y43-H266 PolarHBondContact OH-CE1 3.42Å; Y43-H266 VanDerWaalsContact OH-CE1 3.29Å; Y43-H266 PolarHBondContact OH-NE2 2.77Å; C260-H266 CarbonylContact C-O 3.43Å; C260-H266 WeakPolarHBondContact CB-O 3.34Å; L261-H266 PolarHBondContact N-O 2.83Å; C264-H266 PolarHBondContact O-N 3.38Å; C264-H266 PolarHBondContact O-ND1 3.18Å; H266-Q354 PolarHBondContact NE2-NE2 3.16Å
267	R	84.3	Confident	89	Confident	144 Å²	144	43.7 Å²	43.7	54%	0.543	24%	0.242	S	C	.	.	S	Bend	trans	-76	-33.3	-175.7	-65.1	-176.2	-178.9	-168.2	-0.4	113.6	P256 G257 L261 G269 I419	P256-R267 CarbonylContact C-O 3.6Å; P256-R267 WeakPolarHBondContact CA-O 3.22Å; G257-R267 PolarHBondContact N-O 2.97Å; L261-R267 HydrophobicContact CB-CG 4.27Å; L261-R267 HydrophobicContact CD1-CG 4.18Å; L261-R267 HydrophobicContact CD2-CG 4.4Å; R267-G269 PolarHBondContact O-N 3.43Å; R267-I419 HydrophobicContact CB-CD1 4.39Å
268	N	83.2	Confident	89.3	Confident	62 Å²	62	42.9 Å²	42.9	33%	0.332	23%	0.234	S	C	.	.	S	Bend	trans	-84.5	-11.5	-166.3	-58.8	9.9	0	0	0	113.1
269	G	88.2	Confident	89.6	Confident	12 Å²	12	40.7 Å²	40.7	12%	0.124	22%	0.218	C	C	.	.			trans	143	161.8	-179.9	0	0	0	0	0	112.8	R267 S359	R267-G269 PolarHBondContact O-N 3.43Å; G269-S359 PolarHBondContact N-OG 3.36Å; G269-S359 VanDerWaalsContact O-CB 3.25Å; G269-S359 WeakPolarHBondContact O-CB 3.45Å; G269-S359 PolarHBondContact O-OG 3.08Å
270	C	91.4	Very high	89.7	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.027	21%	0.21	C	C	.	.			trans	-109.4	21.5	-176.4	-58.8	0	0	0	0	113.8	E251 C254 C264 N272 M273	E251-C270 WeakPolarHBondContact O-CB 3.28Å; C254-C270 PolarHBondContact SG-SG 3.31Å; C264-C270 HydrophobicContact CB-CB 3.74Å; C264-C270 WeakPolarHBondContact CB-SG 3.49Å; C264-C270 WeakPolarHBondContact SG-CA 3.31Å; C264-C270 WeakPolarHBondContact SG-CB 3.48Å; C264-C270 CovalentContact SG-SG 2.03Å; C264-C270 PolarHBondContact SG-SG 3.2Å; C270-N272 VanDerWaalsContact C-N 3.32Å; C270-N272 PolarHBondContact O-N 3.22Å; C270-N272 VanDerWaalsContact O-N 3.16Å; C270-M273 HydrophobicContact CB-SD 4.41Å; C270-M273 WeakPolarHBondContact O-CB 3.22Å; C270-M273 PolarHBondContact O-N 2.97Å
271	S	91.6	Very high	89.8	Confident	49 Å²	49	43 Å²	43	34%	0.343	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-53.8	-39.1	-172.9	-55	0	0	0	0	114.7	M273 A274	S271-M273 PolarHBondContact O-N 2.93Å; S271-A274 VanDerWaalsContact O-CB 3.28Å; S271-A274 WeakPolarHBondContact O-CB 3.38Å; S271-A274 PolarHBondContact O-N 2.98Å
272	N	91.1	Very high	90	Very high	42 Å²	42	40.7 Å²	40.7	23%	0.225	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.7	177.7	-60.1	-42.7	0	0	0	113.9	L47 C270 A274 P276 G358 S359 L361	L47-N272 HydrophobicContact CD1-CB 3.72Å; C270-N272 VanDerWaalsContact C-N 3.32Å; C270-N272 PolarHBondContact O-N 3.22Å; C270-N272 VanDerWaalsContact O-N 3.16Å; N272-A274 VanDerWaalsContact C-N 3.3Å; N272-P276 VanDerWaalsContact O-CD 3.29Å; N272-P276 WeakPolarHBondContact O-CD 3.47Å; N272-G358 PolarHBondContact ND2-O 2.74Å; N272-S359 VanDerWaalsContact CG-O 3.3Å; N272-S359 PolarHBondContact ND2-O 2.81Å; N272-S359 PolarHBondContact OD1-O 3.34Å; N272-L361 PolarHBondContact OD1-N 3.06Å
273	M	91.2	Very high	90.1	Very high	17 Å²	17	33.8 Å²	33.8	8%	0.084	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-76.6	-17.1	-178.5	-171.3	-177.8	142.5	0	0	112.3	E51 E251 I252 V263 C264 C270 S271 Y275 P276 K277	E51-M273 HydrophobicContact CG-CG 4.46Å; E51-M273 WeakPolarHBondContact OE2-CE 3.37Å; E51-M273 WeakPolarHBondContact OE2-CG 3.36Å; E251-M273 HydrophobicContact CB-CE 4.08Å; E251-M273 VanDerWaalsContact OE2-CE 3.27Å; E251-M273 WeakPolarHBondContact OE2-CE 3.47Å; I252-M273 HydrophobicContact CD1-CB 3.94Å; I252-M273 HydrophobicContact CD1-CE 4.43Å; I252-M273 HydrophobicContact CD1-CG 4.15Å; I252-M273 HydrophobicContact CD1-SD 4.42Å; V263-M273 HydrophobicContact CG1-CE 4.16Å; V263-M273 HydrophobicContact CG1-SD 4.24Å; C264-M273 HydrophobicContact CB-SD 3.79Å; C270-M273 HydrophobicContact CB-SD 4.41Å; C270-M273 WeakPolarHBondContact O-CB 3.22Å; C270-M273 PolarHBondContact O-N 2.97Å; S271-M273 PolarHBondContact O-N 2.93Å; M273-Y275 PolarHBondContact O-N 3.46Å; M273-P276 VanDerWaalsContact O-CD 3.27Å; M273-P276 WeakPolarHBondContact O-CD 3.33Å; M273-K277 HydrophobicContact CE-CD 3.94Å; M273-K277 WeakPolarHBondContact O-CB 3.14Å; M273-K277 PolarHBondContact O-N 3.4Å
274	A	93.9	Very high	90.3	Very high	9 Å²	9	34.5 Å²	34.5	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-50.5	-172	0	0	0	0	0	113.7	S244 I252 S271 N272 L278	S244-A274 WeakPolarHBondContact CB-O 3.25Å; S244-A274 PolarHBondContact OG-O 2.94Å; I252-A274 HydrophobicContact CD1-CB 4.18Å; I252-A274 HydrophobicContact CG1-CB 4.36Å; I252-A274 HydrophobicContact CG2-CB 3.83Å; S271-A274 VanDerWaalsContact O-CB 3.28Å; S271-A274 WeakPolarHBondContact O-CB 3.38Å; S271-A274 PolarHBondContact O-N 2.98Å; N272-A274 VanDerWaalsContact C-N 3.3Å; A274-L278 PolarHBondContact O-N 3.41Å
275	Y	92.6	Very high	90.3	Very high	41 Å²	41	37.6 Å²	37.6	16%	0.161	22%	0.217	C	C	.	.	H	α-helix	trans	-71.1	-46.2	178.3	-170.1	-84.7	0	0	0	113	A95 L98 I236 M237 P240 M273 K277 L278 V279	A95-Y275 WeakPolarHBondContact CB-OH 3.37Å; L98-Y275 HydrophobicContact CD2-CD2 4.32Å; L98-Y275 HydrophobicContact CD2-CE1 4.09Å; L98-Y275 HydrophobicContact CD2-CE2 3.61Å; L98-Y275 VanDerWaalsContact CD2-CZ 3.47Å; L98-Y275 WeakPolarHBondContact CD2-OH 3.27Å; I236-Y275 WeakPolarHBondContact O-CE2 3.23Å; M237-Y275 HydrophobicContact CG-CD2 4.43Å; P240-Y275 HydrophobicContact CB-CD2 4.3Å; P240-Y275 HydrophobicContact CB-CE2 4.23Å; M273-Y275 PolarHBondContact O-N 3.46Å; Y275-K277 PolarHBondContact O-N 3.35Å; Y275-L278 PolarHBondContact O-N 2.94Å; Y275-V279 HydrophobicContact CD1-CG2 4.17Å; Y275-V279 HydrophobicContact CE1-CG2 3.81Å; Y275-V279 PolarHBondContact O-N 2.88Å
276	P	91.7	Very high	90.5	Very high	12 Å²	12	38 Å²	38	8%	0.078	22%	0.221	C	C	.	.	H	α-helix	trans	-48.6	-51.8	169.4	-24.6	26.7	0	0	0	113.6	F48 E51 N272 M273 L278 V279 I280	F48-P276 HydrophobicContact CD2-CB 3.81Å; F48-P276 HydrophobicContact CD2-CG 3.93Å; F48-P276 HydrophobicContact CE2-CB 4.33Å; E51-P276 HydrophobicContact CB-CB 3.95Å; E51-P276 HydrophobicContact CG-CB 3.94Å; N272-P276 VanDerWaalsContact O-CD 3.29Å; N272-P276 WeakPolarHBondContact O-CD 3.47Å; M273-P276 VanDerWaalsContact O-CD 3.27Å; M273-P276 WeakPolarHBondContact O-CD 3.33Å; P276-L278 VanDerWaalsContact C-N 3.29Å; P276-L278 PolarHBondContact O-N 3.02Å; P276-V279 WeakPolarHBondContact O-CB 3.17Å; P276-V279 PolarHBondContact O-N 2.75Å; P276-I280 WeakPolarHBondContact O-CG1 3.4Å; P276-I280 PolarHBondContact O-N 2.91Å; P276-I280 VanDerWaalsContact O-N 3.08Å
277	K	92.9	Very high	90.6	Very high	25 Å²	25	39.3 Å²	39.3	11%	0.109	23%	0.228	C	C	.	.	H	α-helix	trans	-54.2	-46.5	-177.6	-172.3	69.4	-177.1	-166.4	0	112.6	E51 Y248 E251 M273 Y275 V279 I280 D281	E51-K277 WeakPolarHBondContact OE1-CD 3.41Å; E51-K277 IonicContact OE1-NZ 3.94Å; E51-K277 PolarHBondContact OE1-NZ 3.38Å; E51-K277 VanDerWaalsContact OE1-NZ 3.17Å; Y248-K277 HydrophobicContact CD1-CG 4.13Å; Y248-K277 HydrophobicContact CD2-CG 3.78Å; Y248-K277 HydrophobicContact CE1-CG 4.38Å; Y248-K277 HydrophobicContact CE2-CG 4.08Å; Y248-K277 HydrophobicContact CG-CG 3.85Å; E251-K277 WeakPolarHBondContact OE1-CE 3.1Å; E251-K277 IonicContact OE1-NZ 4Å; E251-K277 WeakPolarHBondContact OE2-CE 3.29Å; E251-K277 IonicContact OE2-NZ 2.79Å; E251-K277 PolarHBondContact OE2-NZ 3.17Å; M273-K277 HydrophobicContact CE-CD 3.94Å; M273-K277 WeakPolarHBondContact O-CB 3.14Å; M273-K277 PolarHBondContact O-N 3.4Å; Y275-K277 PolarHBondContact O-N 3.35Å; K277-V279 VanDerWaalsContact C-N 3.32Å; K277-V279 PolarHBondContact O-N 2.62Å; K277-I280 PolarHBondContact O-N 3.39Å; K277-I280 VanDerWaalsContact O-N 3.16Å; K277-D281 WeakPolarHBondContact CE-OD2 3.48Å; K277-D281 PolarHBondContact O-N 2.87Å; K277-D281 VanDerWaalsContact O-N 3.08Å
278	L	93.6	Very high	90.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-38.1	179.8	-158.7	74.1	0	0	0	112	L98 S102 P240 I243 L247 Y248 A274 Y275 P276 L282	L98-L278 HydrophobicContact CD1-CB 4.4Å; L98-L278 HydrophobicContact CD1-CD2 4.27Å; L98-L278 HydrophobicContact CD1-CG 4Å; L98-L278 WeakPolarHBondContact CD1-O 3.49Å; L98-L278 HydrophobicContact CD2-CD2 4.17Å; L98-L278 HydrophobicContact CG-CD2 4.14Å; L98-L278 HydrophobicContact CG-CG 4.42Å; S102-L278 WeakPolarHBondContact OG-CD2 3.37Å; P240-L278 HydrophobicContact CB-CD2 3.52Å; P240-L278 VanDerWaalsContact O-CD2 3.22Å; P240-L278 WeakPolarHBondContact O-CD2 3.28Å; I243-L278 HydrophobicContact CG2-CD1 4.5Å; L247-L278 HydrophobicContact CD1-CD1 3.95Å; Y248-L278 HydrophobicContact CE2-CD1 4.36Å; A274-L278 PolarHBondContact O-N 3.41Å; Y275-L278 PolarHBondContact O-N 2.94Å; P276-L278 VanDerWaalsContact C-N 3.29Å; P276-L278 PolarHBondContact O-N 3.02Å; L278-L282 HydrophobicContact CD1-CD1 3.81Å; L278-L282 HydrophobicContact CD1-CD2 3.74Å; L278-L282 HydrophobicContact CD1-CG 4.39Å; L278-L282 HydrophobicContact CG-CD1 4.36Å; L278-L282 HydrophobicContact CG-CD2 4.17Å; L278-L282 WeakPolarHBondContact O-CB 3.41Å; L278-L282 PolarHBondContact O-N 3.25Å; L278-L282 VanDerWaalsContact O-N 3.12Å
279	V	92.7	Very high	91	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-42	174.4	172.5	0	0	0	0	111.3	F48 L98 Y275 P276 K277 M283 M291	F48-V279 HydrophobicContact CE2-CB 4.48Å; F48-V279 HydrophobicContact CE2-CG1 4.44Å; F48-V279 HydrophobicContact CZ-CG1 4.3Å; L98-V279 HydrophobicContact CD1-CG2 4.32Å; L98-V279 HydrophobicContact CD2-CG2 3.61Å; Y275-V279 HydrophobicContact CD1-CG2 4.17Å; Y275-V279 HydrophobicContact CE1-CG2 3.81Å; Y275-V279 PolarHBondContact O-N 2.88Å; P276-V279 WeakPolarHBondContact O-CB 3.17Å; P276-V279 PolarHBondContact O-N 2.75Å; K277-V279 VanDerWaalsContact C-N 3.32Å; K277-V279 PolarHBondContact O-N 2.62Å; V279-M283 HydrophobicContact CB-SD 4.37Å; V279-M283 HydrophobicContact CG1-SD 3.92Å; V279-M283 HydrophobicContact CG2-SD 4.29Å; V279-M283 WeakPolarHBondContact O-CB 3.43Å; V279-M283 WeakPolarHBondContact O-CG 3.36Å; V279-M291 HydrophobicContact CG1-CB 4.09Å
280	I	91.7	Very high	91	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-70.3	-40.4	-175.4	-59.6	-49.3	0	0	0	112.3	E51 A52 P276 K277 R288 L292	E51-I280 HydrophobicContact CG-CG1 4.22Å; A52-I280 HydrophobicContact CB-CD1 3.68Å; P276-I280 WeakPolarHBondContact O-CG1 3.4Å; P276-I280 PolarHBondContact O-N 2.91Å; P276-I280 VanDerWaalsContact O-N 3.08Å; K277-I280 PolarHBondContact O-N 3.39Å; K277-I280 VanDerWaalsContact O-N 3.16Å; I280-R288 HydrophobicContact CD1-CG 4.35Å; I280-R288 WeakPolarHBondContact O-CD 3.23Å; I280-R288 PolarHBondContact O-NH1 3.27Å; I280-L292 HydrophobicContact CD1-CD2 3.92Å
281	D	92	Very high	90.7	Very high	80 Å²	80	38.2 Å²	38.2	43%	0.428	23%	0.23	S	C	.	.	H	α-helix	trans	-95	-31.5	-170.1	-74.1	10.1	0	0	0	114.5	Y248 K277	Y248-D281 HydrophobicContact CE1-CB 4.46Å; Y248-D281 WeakPolarHBondContact CE1-OD2 3.32Å; Y248-D281 VanDerWaalsContact CZ-OD2 3.27Å; Y248-D281 WeakPolarHBondContact OH-CB 3.24Å; Y248-D281 PolarHBondContact OH-OD2 2.62Å; Y248-D281 VanDerWaalsContact OH-OD2 3.05Å; K277-D281 WeakPolarHBondContact CE-OD2 3.48Å; K277-D281 PolarHBondContact O-N 2.87Å; K277-D281 VanDerWaalsContact O-N 3.08Å
282	L	93.6	Very high	90.4	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.12	22%	0.222	C	C	.	.	H	α-helix	trans	-94.2	-28.2	-177.1	-77.6	66.7	0	0	0	113.2	L98 K105 L247 Y248 L278	L98-L282 HydrophobicContact CD1-CB 4.5Å; K105-L282 HydrophobicContact CB-CD2 4.27Å; K105-L282 HydrophobicContact CG-CD2 3.85Å; K105-L282 HydrophobicContact CG-CG 4.19Å; L247-L282 HydrophobicContact CD1-CD1 4.23Å; L247-L282 HydrophobicContact CD1-CD2 4.13Å; Y248-L282 HydrophobicContact CE2-CD1 4.21Å; Y248-L282 VanDerWaalsContact OH-CD1 3.29Å; Y248-L282 WeakPolarHBondContact OH-CD1 3.34Å; L278-L282 HydrophobicContact CD1-CD1 3.81Å; L278-L282 HydrophobicContact CD1-CD2 3.74Å; L278-L282 HydrophobicContact CD1-CG 4.39Å; L278-L282 HydrophobicContact CG-CD1 4.36Å; L278-L282 HydrophobicContact CG-CD2 4.17Å; L278-L282 WeakPolarHBondContact O-CB 3.41Å; L278-L282 PolarHBondContact O-N 3.25Å; L278-L282 VanDerWaalsContact O-N 3.12Å
283	M	91.5	Very high	90.2	Very high	7 Å²	7	40 Å²	40	3%	0.034	24%	0.239	C	C	.	.	S	Bend	trans	-81.9	133.5	-173.7	-59.8	-166.8	66.6	0	0	111.6	L98 V279 L287 R288 M291	L98-M283 HydrophobicContact CB-SD 4.09Å; L98-M283 HydrophobicContact CD1-CG 3.64Å; L98-M283 HydrophobicContact CD1-SD 3.9Å; L98-M283 HydrophobicContact CG-SD 4.48Å; V279-M283 HydrophobicContact CB-SD 4.37Å; V279-M283 HydrophobicContact CG1-SD 3.92Å; V279-M283 HydrophobicContact CG2-SD 4.29Å; V279-M283 WeakPolarHBondContact O-CB 3.43Å; V279-M283 WeakPolarHBondContact O-CG 3.36Å; M283-L287 HydrophobicContact CE-CB 3.75Å; M283-R288 HydrophobicContact CB-CB 4.02Å; M283-M291 HydrophobicContact CE-CG 3.58Å; M283-M291 HydrophobicContact SD-CB 4.41Å; M283-M291 HydrophobicContact SD-CG 3.76Å
284	P	92.3	Very high	90	Very high	70 Å²	70	39.8 Å²	39.8	46%	0.455	24%	0.239	S	C	.	.			trans	-63	147.5	175.5	28.2	-34.8	0	0	0	110	G286 L287 R288	P284-G286 VanDerWaalsContact C-N 3.27Å; P284-G286 PolarHBondContact O-N 3.27Å; P284-L287 HydrophobicContact CG-CB 4.11Å; P284-L287 HydrophobicContact CG-CD1 3.92Å; P284-L287 HydrophobicContact CG-CG 4.11Å; P284-L287 PolarHBondContact O-N 2.91Å; P284-R288 PolarHBondContact O-N 2.81Å
285	S	87.2	Confident	89.6	Confident	98 Å²	98	41.5 Å²	41.5	69%	0.685	25%	0.246	S	C	*	.	H	α-helix	trans	-44.5	-44.5	-168.8	53.3	0	0	0	0	115.1	G289	S285-G289 PolarHBondContact O-N 3.46Å
286	G	88.6	Confident	89.3	Confident	58 Å²	58	41.7 Å²	41.7	60%	0.598	25%	0.249	S	C	*	.	H	α-helix	trans	-64.7	-45.7	177.2	0	0	0	0	0	114.2	P284 L290	P284-G286 VanDerWaalsContact C-N 3.27Å; P284-G286 PolarHBondContact O-N 3.27Å; G286-L290 PolarHBondContact O-N 2.98Å
287	L	88.1	Confident	89	Confident	51 Å²	51	43.1 Å²	43.1	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-74.4	-31.1	177.4	-64.4	-178.2	0	0	0	112.1	F93 V97 M283 P284 L290 M291	F93-L287 HydrophobicContact CE1-CD2 4.26Å; V97-L287 HydrophobicContact CG1-CD1 3.89Å; M283-L287 HydrophobicContact CE-CB 3.75Å; P284-L287 HydrophobicContact CG-CB 4.11Å; P284-L287 HydrophobicContact CG-CD1 3.92Å; P284-L287 HydrophobicContact CG-CG 4.11Å; P284-L287 PolarHBondContact O-N 2.91Å; L287-L290 HydrophobicContact CD2-CD2 4.27Å; L287-L290 PolarHBondContact O-N 3.16Å; L287-M291 WeakPolarHBondContact O-CG 3.43Å; L287-M291 PolarHBondContact O-N 3.48Å
288	R	88	Confident	88.7	Confident	94 Å²	94	42.5 Å²	42.5	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-53.2	171.1	-174.4	172.8	69.3	-177.4	9.4	110.2	I280 M283 P284 L290 M291 L292	I280-R288 HydrophobicContact CD1-CG 4.35Å; I280-R288 WeakPolarHBondContact O-CD 3.23Å; I280-R288 PolarHBondContact O-NH1 3.27Å; M283-R288 HydrophobicContact CB-CB 4.02Å; P284-R288 PolarHBondContact O-N 2.81Å; R288-L290 VanDerWaalsContact C-N 3.33Å; R288-L290 PolarHBondContact O-N 2.93Å; R288-M291 PolarHBondContact O-N 3.46Å; R288-M291 VanDerWaalsContact O-N 3.09Å; R288-L292 WeakPolarHBondContact O-CG 3.36Å; R288-L292 PolarHBondContact O-N 3.35Å
289	G	87.5	Confident	88.5	Confident	30 Å²	30	43.5 Å²	43.5	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-56.5	-44	176.3	0	0	0	0	0	112.9	S285 M291 L292 T293	S285-G289 PolarHBondContact O-N 3.46Å; G289-M291 PolarHBondContact O-N 2.88Å; G289-L292 PolarHBondContact O-N 2.98Å; G289-T293 PolarHBondContact O-N 3.41Å; G289-T293 PolarHBondContact O-OG1 3.33Å; G289-T293 VanDerWaalsContact O-OG1 3.09Å
290	L	88.3	Confident	88.2	Confident	71 Å²	71	44.3 Å²	44.3	37%	0.372	27%	0.271	S	S	.	.	H	α-helix	trans	-56.6	-47.5	173.4	-179.1	64.7	0	0	0	112	V90 G286 L287 R288 T293 V294	V90-L290 HydrophobicContact CG1-CD1 4.07Å; V90-L290 HydrophobicContact CG1-CD2 4.04Å; V90-L290 HydrophobicContact CG1-CG 4.06Å; G286-L290 PolarHBondContact O-N 2.98Å; L287-L290 HydrophobicContact CD2-CD2 4.27Å; L287-L290 PolarHBondContact O-N 3.16Å; R288-L290 VanDerWaalsContact C-N 3.33Å; R288-L290 PolarHBondContact O-N 2.93Å; L290-T293 PolarHBondContact O-N 2.87Å; L290-V294 HydrophobicContact CD1-CG2 4.05Å; L290-V294 HydrophobicContact CG-CG2 4.34Å; L290-V294 VanDerWaalsContact O-CB 3.3Å; L290-V294 WeakPolarHBondContact O-CB 3.15Å; L290-V294 WeakPolarHBondContact O-CG2 3.24Å; L290-V294 PolarHBondContact O-N 3.47Å
291	M	85.1	Confident	87.9	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-40.4	177.7	-76.1	-68.2	-87.7	0	0	112.6	V279 M283 L287 R288 G289 T293 V294 M295	V279-M291 HydrophobicContact CG1-CB 4.09Å; M283-M291 HydrophobicContact CE-CG 3.58Å; M283-M291 HydrophobicContact SD-CB 4.41Å; M283-M291 HydrophobicContact SD-CG 3.76Å; L287-M291 WeakPolarHBondContact O-CG 3.43Å; L287-M291 PolarHBondContact O-N 3.48Å; R288-M291 PolarHBondContact O-N 3.46Å; R288-M291 VanDerWaalsContact O-N 3.09Å; G289-M291 PolarHBondContact O-N 2.88Å; M291-T293 PolarHBondContact O-N 3.38Å; M291-V294 PolarHBondContact O-N 3Å; M291-M295 WeakPolarHBondContact O-CB 3.45Å; M291-M295 WeakPolarHBondContact O-CG 3.16Å; M291-M295 PolarHBondContact O-N 3.49Å
292	L	85.3	Confident	87.7	Confident	33 Å²	33	42.6 Å²	42.6	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-49	175	-61.5	-172.6	0	0	0	111.3	F48 A52 I280 R288 G289 L296	F48-L292 HydrophobicContact CD1-CD2 4.46Å; F48-L292 HydrophobicContact CE1-CD2 3.39Å; F48-L292 HydrophobicContact CZ-CD2 3.52Å; A52-L292 HydrophobicContact CB-CD1 4.16Å; A52-L292 HydrophobicContact CB-CD2 3.48Å; A52-L292 VanDerWaalsContact CB-CD2 3.48Å; A52-L292 HydrophobicContact CB-CG 4.47Å; I280-L292 HydrophobicContact CD1-CD2 3.92Å; R288-L292 WeakPolarHBondContact O-CG 3.36Å; R288-L292 PolarHBondContact O-N 3.35Å; G289-L292 PolarHBondContact O-N 2.98Å; L292-L296 WeakPolarHBondContact O-CB 3.3Å; L292-L296 PolarHBondContact O-N 2.88Å
293	T	86.8	Confident	87.5	Confident	94 Å²	94	41.5 Å²	41.5	58%	0.577	26%	0.257	S	S	*	.	H	α-helix	trans	-63.9	-42.4	179.3	-55	0	0	0	0	112	G289 L290 M291 L296 A297	G289-T293 PolarHBondContact O-N 3.41Å; G289-T293 PolarHBondContact O-OG1 3.33Å; G289-T293 VanDerWaalsContact O-OG1 3.09Å; L290-T293 PolarHBondContact O-N 2.87Å; M291-T293 PolarHBondContact O-N 3.38Å; T293-L296 PolarHBondContact O-N 3.46Å; T293-A297 WeakPolarHBondContact O-CB 3.18Å; T293-A297 PolarHBondContact O-N 3.43Å
294	V	87	Confident	87.1	Confident	14 Å²	14	41.6 Å²	41.6	9%	0.085	26%	0.258	C	S	.	.	H	α-helix	trans	-70.7	-36.6	-177.7	167.3	0	0	0	0	112	Q87 V90 M91 L290 M291 A297 A298	Q87-V294 HydrophobicContact CG-CG1 4.04Å; V90-V294 HydrophobicContact CB-CG1 4.33Å; V90-V294 HydrophobicContact CB-CG2 4.09Å; V90-V294 HydrophobicContact CG1-CG1 4.37Å; V90-V294 HydrophobicContact CG1-CG2 3.54Å; M91-V294 HydrophobicContact CB-CG1 4.42Å; M91-V294 HydrophobicContact CG-CG1 3.41Å; M91-V294 VanDerWaalsContact CG-CG1 3.41Å; L290-V294 HydrophobicContact CD1-CG2 4.05Å; L290-V294 HydrophobicContact CG-CG2 4.34Å; L290-V294 VanDerWaalsContact O-CB 3.3Å; L290-V294 WeakPolarHBondContact O-CB 3.15Å; L290-V294 WeakPolarHBondContact O-CG2 3.24Å; L290-V294 PolarHBondContact O-N 3.47Å; M291-V294 PolarHBondContact O-N 3Å; V294-A297 PolarHBondContact O-N 3.28Å; V294-A298 WeakPolarHBondContact O-CB 3.2Å; V294-A298 PolarHBondContact O-N 3.24Å
295	M	84.9	Confident	86.7	Confident	45 Å²	45	38.5 Å²	38.5	22%	0.222	24%	0.238	C	C	.	.	H	α-helix	trans	-71.7	-39.1	174	-72.1	-175.1	58.8	0	0	112.1	F48 M291 A298 L299	F48-M295 HydrophobicContact CD1-CB 4.37Å; F48-M295 HydrophobicContact CD1-CE 4.11Å; F48-M295 HydrophobicContact CD2-CE 3.4Å; F48-M295 VanDerWaalsContact CD2-CE 3.4Å; F48-M295 HydrophobicContact CD2-SD 4.06Å; F48-M295 HydrophobicContact CE1-CB 3.95Å; F48-M295 HydrophobicContact CE1-CE 4.11Å; F48-M295 HydrophobicContact CE1-CG 4.48Å; F48-M295 HydrophobicContact CE1-SD 3.95Å; F48-M295 HydrophobicContact CE2-CE 3.44Å; F48-M295 VanDerWaalsContact CE2-CE 3.44Å; F48-M295 HydrophobicContact CE2-SD 3.42Å; F48-M295 WeakPolarHBondContact CE2-SD 3.3Å; F48-M295 HydrophobicContact CG-CE 3.76Å; F48-M295 HydrophobicContact CZ-CB 4.31Å; F48-M295 HydrophobicContact CZ-CE 3.79Å; F48-M295 HydrophobicContact CZ-CG 4.35Å; F48-M295 HydrophobicContact CZ-SD 3.34Å; F48-M295 WeakPolarHBondContact CZ-SD 3.49Å; M291-M295 WeakPolarHBondContact O-CB 3.45Å; M291-M295 WeakPolarHBondContact O-CG 3.16Å; M291-M295 PolarHBondContact O-N 3.49Å; M295-A298 WeakPolarHBondContact O-CB 3.41Å; M295-A298 PolarHBondContact O-N 3.14Å; M295-L299 VanDerWaalsContact O-CD1 3.32Å; M295-L299 WeakPolarHBondContact O-CD1 3.48Å; M295-L299 VanDerWaalsContact O-CG 3.26Å; M295-L299 WeakPolarHBondContact O-CG 3.45Å; M295-L299 PolarHBondContact O-N 3.28Å
296	L	85.5	Confident	86.7	Confident	44 Å²	44	34 Å²	34	23%	0.23	21%	0.206	C	C	.	.	H	α-helix	trans	-57.6	-48.9	169.4	-86.1	173.5	0	0	0	111.8	L49 L64 L292 T293 A298 L299 I300	L49-L296 HydrophobicContact CD1-CD2 3.94Å; L49-L296 HydrophobicContact CD2-CD1 4.18Å; L49-L296 HydrophobicContact CD2-CD2 3.93Å; L49-L296 HydrophobicContact CD2-CG 4.21Å; L49-L296 HydrophobicContact CG-CD2 4.23Å; L64-L296 HydrophobicContact CD1-CD2 4.34Å; L292-L296 WeakPolarHBondContact O-CB 3.3Å; L292-L296 PolarHBondContact O-N 2.88Å; T293-L296 PolarHBondContact O-N 3.46Å; L296-A298 VanDerWaalsContact C-N 3.27Å; L296-A298 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 2.97Å; L296-I300 VanDerWaalsContact O-CD1 3.32Å; L296-I300 WeakPolarHBondContact O-CD1 3.41Å; L296-I300 VanDerWaalsContact O-CG1 3.25Å; L296-I300 WeakPolarHBondContact O-CG1 3.29Å; L296-I300 PolarHBondContact O-N 3.46Å
297	A	86.1	Confident	86.7	Confident	42 Å²	42	31.3 Å²	31.3	35%	0.347	18%	0.178	S	C	.	.	H	α-helix	trans	-57.7	-40.4	175.8	0	0	0	0	0	111.9	Q87 T293 V294 I300 S301	Q87-A297 VanDerWaalsContact OE1-C 3.28Å; Q87-A297 PolarHBondContact OE1-O 2.94Å; T293-A297 WeakPolarHBondContact O-CB 3.18Å; T293-A297 PolarHBondContact O-N 3.43Å; V294-A297 PolarHBondContact O-N 3.28Å; A297-I300 PolarHBondContact O-N 3.45Å; A297-S301 WeakPolarHBondContact O-CB 3.41Å; A297-S301 PolarHBondContact O-N 2.89Å
298	A	87.8	Confident	86.3	Confident	12 Å²	12	31.5 Å²	31.5	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-51.1	176.9	0	0	0	0	0	113	Q87 M91 V294 M295 L296 I300 S301 D302	Q87-A298 VanDerWaalsContact OE1-N 3.16Å; M91-A298 HydrophobicContact SD-CB 4.02Å; V294-A298 WeakPolarHBondContact O-CB 3.2Å; V294-A298 PolarHBondContact O-N 3.24Å; M295-A298 WeakPolarHBondContact O-CB 3.41Å; M295-A298 PolarHBondContact O-N 3.14Å; L296-A298 VanDerWaalsContact C-N 3.27Å; L296-A298 PolarHBondContact O-N 3.1Å; A298-I300 VanDerWaalsContact C-N 3.31Å; A298-I300 PolarHBondContact O-N 3.16Å; A298-S301 PolarHBondContact O-N 3.23Å; A298-D302 WeakPolarHBondContact O-CB 3.46Å; A298-D302 PolarHBondContact O-N 2.83Å
299	L	88.8	Confident	86.1	Confident	21 Å²	21	27.1 Å²	27.1	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-41.4	-178.8	-64.8	157.8	0	0	0	111	L64 M295 L296 L303	L64-L299 HydrophobicContact CD1-CB 4.08Å; L64-L299 HydrophobicContact CD2-CB 4.34Å; M295-L299 VanDerWaalsContact O-CD1 3.32Å; M295-L299 WeakPolarHBondContact O-CD1 3.48Å; M295-L299 VanDerWaalsContact O-CG 3.26Å; M295-L299 WeakPolarHBondContact O-CG 3.45Å; M295-L299 PolarHBondContact O-N 3.28Å; L296-L299 PolarHBondContact O-N 2.97Å; L299-L303 WeakPolarHBondContact O-CB 3.22Å; L299-L303 WeakPolarHBondContact O-CD1 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 2.97Å
300	I	86.1	Confident	86.2	Confident	18 Å²	18	25.7 Å²	25.7	9%	0.092	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-46.5	175.2	-67.4	160	0	0	0	111.2	L64 I67 I71 L296 A297 A298 L303 T304	L64-I300 HydrophobicContact CD1-CG1 3.86Å; I67-I300 HydrophobicContact CB-CD1 4.41Å; I67-I300 HydrophobicContact CG2-CD1 3.51Å; I67-I300 HydrophobicContact CG2-CG1 4.27Å; I71-I300 HydrophobicContact CB-CG2 4.29Å; I71-I300 HydrophobicContact CD1-CG2 3.81Å; I71-I300 HydrophobicContact CG2-CG2 4.18Å; L296-I300 VanDerWaalsContact O-CD1 3.32Å; L296-I300 WeakPolarHBondContact O-CD1 3.41Å; L296-I300 VanDerWaalsContact O-CG1 3.25Å; L296-I300 WeakPolarHBondContact O-CG1 3.29Å; L296-I300 PolarHBondContact O-N 3.46Å; A297-I300 PolarHBondContact O-N 3.45Å; A298-I300 VanDerWaalsContact C-N 3.31Å; A298-I300 PolarHBondContact O-N 3.16Å; I300-L303 PolarHBondContact O-N 2.74Å; I300-T304 WeakPolarHBondContact O-CB 3.37Å; I300-T304 PolarHBondContact O-N 3.1Å; I300-T304 PolarHBondContact O-OG1 2.69Å
301	S	84.7	Confident	86.1	Confident	7 Å²	7	23.4 Å²	23.4	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-68.9	-40.1	-176.4	-155.6	0	0	0	0	111.9	V80 D84 A297 A298 T304 S305	V80-S301 WeakPolarHBondContact CG1-OG 3.31Å; D84-S301 VanDerWaalsContact OD1-CB 3.32Å; D84-S301 WeakPolarHBondContact OD1-CB 3.38Å; D84-S301 PolarHBondContact OD1-OG 3.43Å; A297-S301 WeakPolarHBondContact O-CB 3.41Å; A297-S301 PolarHBondContact O-N 2.89Å; A298-S301 PolarHBondContact O-N 3.23Å; S301-T304 PolarHBondContact O-N 3.04Å; S301-S305 WeakPolarHBondContact O-CB 3.42Å; S301-S305 PolarHBondContact O-N 2.91Å; S301-S305 PolarHBondContact O-OG 3.39Å
302	D	88.5	Confident	85.9	Confident	57 Å²	57	24.7 Å²	24.7	31%	0.305	15%	0.146	S	C	.	.	H	α-helix	trans	-66.1	-45.1	173.9	-82.2	-30	0	0	0	111.6	N41 A298 T304 S305 I306	N41-D302 WeakPolarHBondContact ND2-CB 3.41Å; A298-D302 WeakPolarHBondContact O-CB 3.46Å; A298-D302 PolarHBondContact O-N 2.83Å; D302-T304 VanDerWaalsContact C-N 3.34Å; D302-T304 PolarHBondContact O-N 3.21Å; D302-S305 WeakPolarHBondContact O-CB 3.37Å; D302-S305 PolarHBondContact O-N 3.43Å; D302-I306 WeakPolarHBondContact O-CD1 3.37Å; D302-I306 WeakPolarHBondContact O-CG1 3.32Å; D302-I306 PolarHBondContact O-N 2.91Å
303	L	89.1	Confident	86	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-42.1	174.1	-73.3	169.1	0	0	0	111.8	I38 N41 L42 L64 T68 L299 I300 S305 I306 F307	I38-L303 HydrophobicContact CG2-CD2 4.1Å; N41-L303 HydrophobicContact CB-CD2 3.97Å; N41-L303 HydrophobicContact CB-CG 4.23Å; L42-L303 HydrophobicContact CD2-CD1 3.72Å; L42-L303 HydrophobicContact CG-CD1 4.43Å; L42-L303 HydrophobicContact CG-CD2 4.41Å; L64-L303 HydrophobicContact CD2-CD1 4.41Å; L64-L303 HydrophobicContact CG-CD1 4.3Å; T68-L303 HydrophobicContact CG2-CB 3.58Å; T68-L303 HydrophobicContact CG2-CD1 4.14Å; L299-L303 WeakPolarHBondContact O-CB 3.22Å; L299-L303 WeakPolarHBondContact O-CD1 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 2.97Å; I300-L303 PolarHBondContact O-N 2.74Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.05Å; L303-I306 HydrophobicContact CD2-CD1 4.43Å; L303-I306 PolarHBondContact O-N 3.3Å; L303-F307 HydrophobicContact CB-CE2 4.27Å; L303-F307 HydrophobicContact CB-CZ 4.25Å; L303-F307 HydrophobicContact CD2-CE1 4.4Å; L303-F307 HydrophobicContact CD2-CZ 4.22Å; L303-F307 WeakPolarHBondContact O-CB 3.35Å; L303-F307 WeakPolarHBondContact O-CD1 3.2Å; L303-F307 WeakPolarHBondContact O-CD2 3.3Å; L303-F307 WeakPolarHBondContact O-CG 3.46Å; L303-F307 PolarHBondContact O-N 3.46Å
304	T	84.1	Confident	86.1	Confident	9 Å²	9	20.2 Å²	20.2	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-41.6	175.7	-55.5	0	0	0	0	111.2	V80 I300 S301 D302 F307 N308	V80-T304 HydrophobicContact CG2-CG2 3.74Å; I300-T304 WeakPolarHBondContact O-CB 3.37Å; I300-T304 PolarHBondContact O-N 3.1Å; I300-T304 PolarHBondContact O-OG1 2.69Å; S301-T304 PolarHBondContact O-N 3.04Å; D302-T304 VanDerWaalsContact C-N 3.34Å; D302-T304 PolarHBondContact O-N 3.21Å; T304-F307 PolarHBondContact O-N 3.45Å; T304-N308 WeakPolarHBondContact O-CB 3.4Å; T304-N308 PolarHBondContact O-N 2.56Å
305	S	82.8	Confident	86.1	Confident	6 Å²	6	20.3 Å²	20.3	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-43.7	174.1	-64.3	0	0	0	0	112.5	V80 S301 D302 L303 S309	V80-S305 VanDerWaalsContact CG1-OG 3.31Å; V80-S305 WeakPolarHBondContact CG1-OG 3.41Å; S301-S305 WeakPolarHBondContact O-CB 3.42Å; S301-S305 PolarHBondContact O-N 2.91Å; S301-S305 PolarHBondContact O-OG 3.39Å; D302-S305 WeakPolarHBondContact O-CB 3.37Å; D302-S305 PolarHBondContact O-N 3.43Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.05Å; S305-S309 WeakPolarHBondContact O-CB 3.48Å; S305-S309 PolarHBondContact O-N 2.91Å; S305-S309 PolarHBondContact O-OG 2.8Å
306	I	88.1	Confident	86	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-48	176.1	-63.8	155.2	0	0	0	110	Y33 K37 I38 M205 D302 L303 N308 S309 S310	Y33-I306 HydrophobicContact CD2-CG2 4Å; Y33-I306 HydrophobicContact CG-CG2 4.32Å; K37-I306 HydrophobicContact CB-CD1 3.74Å; K37-I306 HydrophobicContact CB-CG1 4.27Å; K37-I306 HydrophobicContact CD-CD1 4.33Å; K37-I306 HydrophobicContact CD-CG1 4.07Å; I38-I306 HydrophobicContact CD1-CG2 3.9Å; I38-I306 HydrophobicContact CG1-CG2 3.59Å; M205-I306 HydrophobicContact CE-CG1 4.06Å; M205-I306 HydrophobicContact SD-CB 4.11Å; M205-I306 HydrophobicContact SD-CG1 3.41Å; M205-I306 WeakPolarHBondContact SD-CG1 3.5Å; D302-I306 WeakPolarHBondContact O-CD1 3.37Å; D302-I306 WeakPolarHBondContact O-CG1 3.32Å; D302-I306 PolarHBondContact O-N 2.91Å; L303-I306 HydrophobicContact CD2-CD1 4.43Å; L303-I306 PolarHBondContact O-N 3.3Å; I306-N308 PolarHBondContact O-N 3.11Å; I306-S309 PolarHBondContact O-N 3.05Å; I306-S310 WeakPolarHBondContact O-CB 3.36Å; I306-S310 PolarHBondContact O-N 3.35Å; I306-S310 PolarHBondContact O-OG 2.88Å
307	F	87.7	Confident	85.9	Confident	2 Å²	2	18.5 Å²	18.5	1%	0.009	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-42.6	-179.5	-63.4	-17.1	0	0	0	112.4	I38 T68 T72 L303 T304 S310 S311 I339 V343	I38-F307 HydrophobicContact CD1-CD1 4.42Å; I38-F307 HydrophobicContact CD1-CE1 4.08Å; I38-F307 HydrophobicContact CG1-CE1 4.24Å; I38-F307 HydrophobicContact CG2-CE1 4.14Å; T68-F307 HydrophobicContact CG2-CD2 4.26Å; T68-F307 HydrophobicContact CG2-CE2 3.66Å; T72-F307 HydrophobicContact CG2-CB 4.2Å; T72-F307 HydrophobicContact CG2-CD2 4.09Å; L303-F307 HydrophobicContact CB-CE2 4.27Å; L303-F307 HydrophobicContact CB-CZ 4.25Å; L303-F307 HydrophobicContact CD2-CE1 4.4Å; L303-F307 HydrophobicContact CD2-CZ 4.22Å; L303-F307 WeakPolarHBondContact O-CB 3.35Å; L303-F307 WeakPolarHBondContact O-CD1 3.2Å; L303-F307 WeakPolarHBondContact O-CD2 3.3Å; L303-F307 WeakPolarHBondContact O-CG 3.46Å; L303-F307 PolarHBondContact O-N 3.46Å; T304-F307 PolarHBondContact O-N 3.45Å; F307-S310 PolarHBondContact O-N 3.46Å; F307-S311 VanDerWaalsContact O-CB 3.28Å; F307-S311 WeakPolarHBondContact O-CB 3.42Å; F307-S311 PolarHBondContact O-N 3.39Å; F307-I339 HydrophobicContact CB-CD1 3.94Å; F307-I339 HydrophobicContact CB-CG1 4.07Å; F307-I339 HydrophobicContact CB-CG2 3.98Å; F307-I339 HydrophobicContact CD1-CG2 3.92Å; F307-I339 HydrophobicContact CD2-CG2 3.93Å; F307-I339 HydrophobicContact CE1-CG2 4.41Å; F307-I339 HydrophobicContact CE2-CG2 4.4Å; F307-I339 HydrophobicContact CG-CG2 3.67Å; F307-V343 HydrophobicContact CD1-CG2 4.49Å; F307-V343 HydrophobicContact CE1-CG2 3.56Å; F307-V343 HydrophobicContact CE2-CG2 4.19Å; F307-V343 HydrophobicContact CZ-CG2 3.38Å
308	N	80.6	Confident	86	Confident	55 Å²	55	16.7 Å²	16.7	29%	0.294	10%	0.096	S	C	.	.	H	α-helix	trans	-61.7	-44.1	174.7	-170.3	-88.8	0	0	0	111.9	T304 I306 S311 T312	T304-N308 WeakPolarHBondContact O-CB 3.4Å; T304-N308 PolarHBondContact O-N 2.56Å; I306-N308 PolarHBondContact O-N 3.11Å; N308-S311 PolarHBondContact O-N 3.4Å; N308-T312 PolarHBondContact O-N 3.21Å; N308-T312 PolarHBondContact O-OG1 3.34Å
309	S	84.2	Confident	86.1	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-64.6	-44.1	177	-56.4	0	0	0	0	112.2	M205 Q208 S305 I306 T312 L313	M205-S309 WeakPolarHBondContact CG-OG 3.4Å; Q208-S309 PolarHBondContact OE1-OG 2.85Å; S305-S309 WeakPolarHBondContact O-CB 3.48Å; S305-S309 PolarHBondContact O-N 2.91Å; S305-S309 PolarHBondContact O-OG 2.8Å; I306-S309 PolarHBondContact O-N 3.05Å; S309-T312 PolarHBondContact O-N 3.3Å; S309-L313 WeakPolarHBondContact O-CG 3.45Å; S309-L313 PolarHBondContact O-N 3Å
310	S	88.9	Confident	85.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-45.1	176.7	-61.5	0	0	0	0	112.2	Y33 I306 F307 T312 L313 F314 L342	Y33-S310 VanDerWaalsContact CD2-OG 3.3Å; Y33-S310 WeakPolarHBondContact CD2-OG 3.42Å; I306-S310 WeakPolarHBondContact O-CB 3.36Å; I306-S310 PolarHBondContact O-N 3.35Å; I306-S310 PolarHBondContact O-OG 2.88Å; F307-S310 PolarHBondContact O-N 3.46Å; S310-T312 VanDerWaalsContact C-N 3.32Å; S310-T312 PolarHBondContact O-N 2.88Å; S310-L313 PolarHBondContact O-N 3.39Å; S310-F314 WeakPolarHBondContact O-CB 3.19Å; S310-F314 PolarHBondContact O-N 2.95Å; S310-L342 VanDerWaalsContact OG-CD2 3.3Å; S310-L342 WeakPolarHBondContact OG-CD2 3.46Å
311	S	86.1	Confident	85.7	Confident	23 Å²	23	24.4 Å²	24.4	16%	0.161	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-41.2	175.7	179.5	0	0	0	0	111	F307 N308 F314 T315 G335	F307-S311 VanDerWaalsContact O-CB 3.28Å; F307-S311 WeakPolarHBondContact O-CB 3.42Å; F307-S311 PolarHBondContact O-N 3.39Å; N308-S311 PolarHBondContact O-N 3.4Å; S311-F314 PolarHBondContact O-N 3.34Å; S311-T315 VanDerWaalsContact O-CB 3.31Å; S311-T315 WeakPolarHBondContact O-CB 3.22Å; S311-T315 VanDerWaalsContact O-CG2 3.29Å; S311-T315 WeakPolarHBondContact O-CG2 3.18Å; S311-T315 PolarHBondContact O-N 2.88Å; S311-T315 PolarHBondContact O-OG1 3.3Å; S311-G335 WeakPolarHBondContact OG-CA 3.37Å
312	T	81.8	Confident	85.6	Confident	31 Å²	31	33 Å²	33	19%	0.19	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-51.1	175.4	-53.5	0	0	0	0	111.5	T7 N308 S309 S310 F314 T315 V316	T7-T312 HydrophobicContact CG2-CG2 4.48Å; N308-T312 PolarHBondContact O-N 3.21Å; N308-T312 PolarHBondContact O-OG1 3.34Å; S309-T312 PolarHBondContact O-N 3.3Å; S310-T312 VanDerWaalsContact C-N 3.32Å; S310-T312 PolarHBondContact O-N 2.88Å; T312-F314 VanDerWaalsContact C-N 3.33Å; T312-F314 PolarHBondContact O-N 3.29Å; T312-T315 PolarHBondContact O-N 2.94Å; T312-T315 PolarHBondContact O-OG1 2.96Å; T312-V316 HydrophobicContact CG2-CG2 4.19Å; T312-V316 WeakPolarHBondContact O-CB 3.32Å; T312-V316 WeakPolarHBondContact O-CG2 3.32Å; T312-V316 PolarHBondContact O-N 3.31Å
313	L	86	Confident	85.6	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	17%	0.166	C	C	.	.	I	π-helix	trans	-58	-44.5	177	-73.4	169	0	0	0	111.6	P9 L30 Y33 Q204 S309 S310 D317 I318	P9-L313 HydrophobicContact CG-CD2 4.06Å; L30-L313 HydrophobicContact CD2-CB 4.46Å; Y33-L313 HydrophobicContact CE2-CD1 4.03Å; Q204-L313 HydrophobicContact CB-CD1 4.11Å; Q204-L313 HydrophobicContact CB-CD2 4.29Å; Q204-L313 HydrophobicContact CB-CG 4.42Å; Q204-L313 HydrophobicContact CG-CD1 4.21Å; Q204-L313 HydrophobicContact CG-CD2 3.94Å; Q204-L313 HydrophobicContact CG-CG 4.01Å; S309-L313 WeakPolarHBondContact O-CG 3.45Å; S309-L313 PolarHBondContact O-N 3Å; S310-L313 PolarHBondContact O-N 3.39Å; L313-D317 VanDerWaalsContact O-CB 3.3Å; L313-D317 WeakPolarHBondContact O-CB 3.42Å; L313-D317 PolarHBondContact O-N 3.4Å; L313-D317 VanDerWaalsContact O-N 3.1Å; L313-I318 PolarHBondContact O-N 3.11Å
314	F	90.2	Very high	85.3	Confident	33 Å²	33	44.7 Å²	44.7	15%	0.145	20%	0.202	C	C	.	.	I	π-helix	trans	-70.3	-44.3	-179.8	-172.5	-99.9	0	0	0	112.4	L30 S310 S311 T312 I318 Y319 V334 F338	L30-F314 HydrophobicContact CD1-CD2 4.38Å; S310-F314 WeakPolarHBondContact O-CB 3.19Å; S310-F314 PolarHBondContact O-N 2.95Å; S311-F314 PolarHBondContact O-N 3.34Å; T312-F314 VanDerWaalsContact C-N 3.33Å; T312-F314 PolarHBondContact O-N 3.29Å; F314-I318 HydrophobicContact CD2-CB 4.27Å; F314-I318 HydrophobicContact CD2-CD1 4.11Å; F314-I318 HydrophobicContact CD2-CG2 4.18Å; F314-I318 HydrophobicContact CE2-CG2 3.96Å; F314-I318 CarbonylContact O-C 3.27Å; F314-I318 WeakPolarHBondContact O-CB 3.48Å; F314-I318 PolarHBondContact O-N 3.33Å; F314-Y319 HydrophobicContact CE1-CD2 4.26Å; F314-Y319 WeakPolarHBondContact O-CB 3.29Å; F314-Y319 PolarHBondContact O-N 3.16Å; F314-V334 HydrophobicContact CD1-CG1 4.18Å; F314-V334 HydrophobicContact CE1-CG1 3.65Å; F314-F338 HydrophobicContact CB-CD1 3.49Å; F314-F338 VanDerWaalsContact CB-CD1 3.49Å; F314-F338 HydrophobicContact CB-CD2 4.43Å; F314-F338 HydrophobicContact CB-CE1 3.65Å; F314-F338 HydrophobicContact CB-CG 3.92Å; F314-F338 HydrophobicContact CB-CZ 4.22Å; F314-F338 HydrophobicContact CD1-CB 3.67Å; F314-F338 HydrophobicContact CD1-CD1 4.04Å; F314-F338 AromaticContact CD1-CD2 3.93Å; F314-F338 HydrophobicContact CD1-CD2 3.93Å; F314-F338 AromaticContact CD1-CG 3.57Å; F314-F338 HydrophobicContact CD1-CG 3.57Å; F314-F338 HydrophobicContact CD2-CD1 4.1Å; F314-F338 AromaticContact CD2-CD2 3.49Å; F314-F338 HydrophobicContact CD2-CD2 3.49Å; F314-F338 VanDerWaalsContact CD2-CD2 3.49Å; F314-F338 HydrophobicContact CD2-CE1 4.09Å; F314-F338 AromaticContact CD2-CE2 3.48Å; F314-F338 HydrophobicContact CD2-CE2 3.48Å; F314-F338 VanDerWaalsContact CD2-CE2 3.48Å; F314-F338 AromaticContact CD2-CG 3.82Å; F314-F338 HydrophobicContact CD2-CG 3.82Å; F314-F338 AromaticContact CD2-CZ 3.81Å; F314-F338 HydrophobicContact CD2-CZ 3.81Å; F314-F338 HydrophobicContact CE1-CB 3.93Å; F314-F338 HydrophobicContact CE1-CD2 4.02Å; F314-F338 HydrophobicContact CE1-CG 4.01Å; F314-F338 AromaticContact CE2-CD2 3.59Å; F314-F338 HydrophobicContact CE2-CD2 3.59Å; F314-F338 AromaticContact CE2-CE2 3.75Å; F314-F338 HydrophobicContact CE2-CE2 3.75Å; F314-F338 HydrophobicContact CE2-CG 4.23Å; F314-F338 HydrophobicContact CG-CB 4.1Å; F314-F338 AromaticContact CG-CD1 3.6Å; F314-F338 HydrophobicContact CG-CD1 3.6Å; F314-F338 AromaticContact CG-CD2 3.67Å; F314-F338 HydrophobicContact CG-CD2 3.67Å; F314-F338 AromaticContact CG-CE1 3.94Å; F314-F338 HydrophobicContact CG-CE1 3.94Å; F314-F338 HydrophobicContact CG-CE2 4.01Å; F314-F338 AromaticContact CG-CG 3.46Å; F314-F338 HydrophobicContact CG-CG 3.46Å; F314-F338 VanDerWaalsContact CG-CG 3.46Å; F314-F338 HydrophobicContact CG-CZ 4.14Å; F314-F338 AromaticContact CZ-CD2 3.86Å; F314-F338 HydrophobicContact CZ-CD2 3.86Å; F314-F338 HydrophobicContact CZ-CE2 4.46Å; F314-F338 HydrophobicContact CZ-CG 4.32Å
315	T	87	Confident	85.3	Confident	15 Å²	15	50.9 Å²	50.9	9%	0.092	24%	0.235	C	C	.	.	I	π-helix	trans	-72.4	-47.4	-176.6	52.9	0	0	0	0	112.3	S311 T312 Q320 L331	S311-T315 VanDerWaalsContact O-CB 3.31Å; S311-T315 WeakPolarHBondContact O-CB 3.22Å; S311-T315 VanDerWaalsContact O-CG2 3.29Å; S311-T315 WeakPolarHBondContact O-CG2 3.18Å; S311-T315 PolarHBondContact O-N 2.88Å; S311-T315 PolarHBondContact O-OG1 3.3Å; T312-T315 PolarHBondContact O-N 2.94Å; T312-T315 PolarHBondContact O-OG1 2.96Å; T315-Q320 WeakPolarHBondContact O-CG 3.34Å; T315-Q320 PolarHBondContact O-N 3.31Å; T315-L331 HydrophobicContact CG2-CD2 4.46Å; T315-L331 VanDerWaalsContact CG2-O 3.27Å; T315-L331 WeakPolarHBondContact CG2-O 3.4Å
316	V	81.2	Confident	85.3	Confident	51 Å²	51	51.4 Å²	51.4	31%	0.309	24%	0.239	S	C	.	.	I	π-helix	trans	-83.3	-48.1	-173.9	-178.2	0	0	0	0	112.2	T312	T312-V316 HydrophobicContact CG2-CG2 4.19Å; T312-V316 WeakPolarHBondContact O-CB 3.32Å; T312-V316 WeakPolarHBondContact O-CG2 3.32Å; T312-V316 PolarHBondContact O-N 3.31Å
317	D	83.5	Confident	85	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.27	C	S	.	.	I	π-helix	trans	-88	-20.3	-172.7	-61.4	-67.4	0	0	0	113.6	T7 P9 Q22 M23 A26 L313	T7-D317 WeakPolarHBondContact CG2-OD2 3.41Å; T7-D317 PolarHBondContact OG1-OD1 3.27Å; T7-D317 VanDerWaalsContact OG1-OD1 3.08Å; T7-D317 PolarHBondContact OG1-OD2 3.18Å; P9-D317 HydrophobicContact CB-CB 4.37Å; Q22-D317 HydrophobicContact CG-CB 4.24Å; Q22-D317 PolarHBondContact NE2-OD1 2.71Å; M23-D317 VanDerWaalsContact SD-O 3.34Å; A26-D317 HydrophobicContact CB-CB 3.82Å; L313-D317 VanDerWaalsContact O-CB 3.3Å; L313-D317 WeakPolarHBondContact O-CB 3.42Å; L313-D317 PolarHBondContact O-N 3.4Å; L313-D317 VanDerWaalsContact O-N 3.1Å
318	I	88.2	Confident	84.7	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	30%	0.303	C	S	.	.	I	π-helix	trans	-117.1	-61.7	-177.6	-62.2	173.6	0	0	0	112.5	M23 A26 V27 L30 L313 F314 K321 W322	M23-I318 HydrophobicContact CE-CB 4.41Å; M23-I318 HydrophobicContact CE-CG1 4.15Å; M23-I318 HydrophobicContact CE-CG2 4.08Å; M23-I318 HydrophobicContact SD-CG1 4.24Å; A26-I318 HydrophobicContact CB-CD1 3.84Å; A26-I318 HydrophobicContact CB-CG1 3.81Å; V27-I318 HydrophobicContact CG2-CD1 3.95Å; L30-I318 HydrophobicContact CD1-CD1 3.71Å; L313-I318 PolarHBondContact O-N 3.11Å; F314-I318 HydrophobicContact CD2-CB 4.27Å; F314-I318 HydrophobicContact CD2-CD1 4.11Å; F314-I318 HydrophobicContact CD2-CG2 4.18Å; F314-I318 HydrophobicContact CE2-CG2 3.96Å; F314-I318 CarbonylContact O-C 3.27Å; F314-I318 WeakPolarHBondContact O-CB 3.48Å; F314-I318 PolarHBondContact O-N 3.33Å; I318-K321 VanDerWaalsContact O-CB 3.26Å; I318-K321 WeakPolarHBondContact O-CB 3.25Å; I318-K321 PolarHBondContact O-N 3.4Å; I318-K321 VanDerWaalsContact O-N 3.12Å; I318-W322 HydrophobicContact CG2-CE3 4.49Å; I318-W322 HydrophobicContact CG2-CH2 4.01Å; I318-W322 HydrophobicContact CG2-CZ2 4.15Å; I318-W322 HydrophobicContact CG2-CZ3 4.18Å
319	Y	89.9	Confident	84.7	Confident	49 Å²	49	65.4 Å²	65.4	19%	0.192	31%	0.309	C	S	.	.	I	π-helix	trans	-69.2	-47.4	-167	-171.6	-99.8	0	0	0	112.7	F314 K321 W322 R323 A326 E330 L331 V334	F314-Y319 HydrophobicContact CE1-CD2 4.26Å; F314-Y319 WeakPolarHBondContact O-CB 3.29Å; F314-Y319 PolarHBondContact O-N 3.16Å; Y319-K321 PolarHBondContact O-N 3.17Å; Y319-W322 PolarHBondContact O-N 3.21Å; Y319-R323 HydrophobicContact CD1-CB 4.14Å; Y319-R323 HydrophobicContact CE1-CB 3.73Å; Y319-R323 HydrophobicContact CE1-CG 3.91Å; Y319-R323 PolarHBondContact O-N 3.32Å; Y319-A326 HydrophobicContact CD1-CB 4.41Å; Y319-A326 HydrophobicContact CE1-CB 4.15Å; Y319-E330 HydrophobicContact CE1-CG 4.22Å; Y319-E330 PolarHBondContact OH-OE1 2.99Å; Y319-L331 HydrophobicContact CD1-CD2 3.99Å; Y319-V334 HydrophobicContact CD1-CG1 4.14Å; Y319-V334 HydrophobicContact CD2-CG1 3.68Å; Y319-V334 HydrophobicContact CE1-CB 4.49Å; Y319-V334 HydrophobicContact CE1-CG1 4.28Å; Y319-V334 HydrophobicContact CE1-CG2 4.09Å; Y319-V334 HydrophobicContact CE2-CG1 3.84Å; Y319-V334 HydrophobicContact CE2-CG2 4.17Å; Y319-V334 HydrophobicContact CG-CG1 3.84Å
320	Q	84.7	Confident	84.8	Confident	77 Å²	77	67.4 Å²	67.4	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-57.4	-21.9	173.4	-77.7	179.5	-5.7	0	0	113	T315 R323 K324 L331	T315-Q320 WeakPolarHBondContact O-CG 3.34Å; T315-Q320 PolarHBondContact O-N 3.31Å; Q320-R323 CarbonylContact O-C 3.53Å; Q320-K324 WeakPolarHBondContact O-CA 3.23Å; Q320-K324 PolarHBondContact O-N 2.87Å; Q320-L331 HydrophobicContact CG-CD1 4.37Å; Q320-L331 HydrophobicContact CG-CD2 3.57Å; Q320-L331 VanDerWaalsContact NE2-CD1 3.26Å
321	K	81.9	Confident	84.6	Confident	87 Å²	87	68.1 Å²	68.1	38%	0.378	32%	0.321	S	S	.	.	H	α-helix	trans	-73	-36.5	176.3	-174.4	65.9	-153.6	178.4	0	112.5	N19 M23 I318 Y319	N19-K321 HydrophobicContact CB-CD 4.34Å; N19-K321 PolarHBondContact ND2-NZ 2.78Å; N19-K321 VanDerWaalsContact ND2-NZ 3.13Å; N19-K321 PolarHBondContact OD1-NZ 2.9Å; M23-K321 HydrophobicContact SD-CB 4.33Å; M23-K321 HydrophobicContact SD-CG 4.31Å; I318-K321 VanDerWaalsContact O-CB 3.26Å; I318-K321 WeakPolarHBondContact O-CB 3.25Å; I318-K321 PolarHBondContact O-N 3.4Å; I318-K321 VanDerWaalsContact O-N 3.12Å; Y319-K321 PolarHBondContact O-N 3.17Å
322	W	84	Confident	84.3	Confident	187 Å²	187	70.9 Å²	70.9	71%	0.708	33%	0.333	S	S	*	.	H	α-helix	trans	-82.6	-37.3	173.8	-58.6	-22.4	0	0	0	111.5	M23 I318 Y319	M23-W322 HydrophobicContact CE-CZ2 4.17Å; I318-W322 HydrophobicContact CG2-CE3 4.49Å; I318-W322 HydrophobicContact CG2-CH2 4.01Å; I318-W322 HydrophobicContact CG2-CZ2 4.15Å; I318-W322 HydrophobicContact CG2-CZ3 4.18Å; Y319-W322 PolarHBondContact O-N 3.21Å
323	R	88.5	Confident	84.5	Confident	129 Å²	129	72.5 Å²	72.5	49%	0.487	34%	0.34	S	S	.	.			trans	-116.4	78.9	-178	-171	74.2	179.1	151.8	9.3	110.8	Y319 Q320 N325 A326 E330	Y319-R323 HydrophobicContact CD1-CB 4.14Å; Y319-R323 HydrophobicContact CE1-CB 3.73Å; Y319-R323 HydrophobicContact CE1-CG 3.91Å; Y319-R323 PolarHBondContact O-N 3.32Å; Q320-R323 CarbonylContact O-C 3.53Å; R323-N325 VanDerWaalsContact C-N 3.3Å; R323-N325 PolarHBondContact O-N 3.1Å; R323-A326 HydrophobicContact CB-CB 4.28Å; R323-A326 HydrophobicContact CG-CB 3.73Å; R323-A326 WeakPolarHBondContact O-CB 3.29Å; R323-A326 PolarHBondContact O-N 3.5Å; R323-E330 WeakPolarHBondContact CG-OE1 3.38Å; R323-E330 IonicContact NE-OE1 2.68Å; R323-E330 PolarHBondContact NE-OE1 2.82Å; R323-E330 IonicContact NE-OE2 2.63Å
324	K	81.4	Confident	84.6	Confident	173 Å²	173	73.8 Å²	73.8	75%	0.752	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.8	-174.1	-62.3	-179.8	-174.6	173.6	0	114.5	Q320	Q320-K324 WeakPolarHBondContact O-CA 3.23Å; Q320-K324 PolarHBondContact O-N 2.87Å
325	N	84.3	Confident	84.4	Confident	140 Å²	140	72.2 Å²	72.2	75%	0.749	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	33.9	-174.9	-58.2	13.3	0	0	0	111.1	R323 Q327	R323-N325 VanDerWaalsContact C-N 3.3Å; R323-N325 PolarHBondContact O-N 3.1Å; N325-Q327 PolarHBondContact O-N 2.89Å
326	A	82.7	Confident	84.2	Confident	16 Å²	16	74.6 Å²	74.6	13%	0.132	35%	0.348	C	S	.	.			trans	-65.4	131.4	179	0	0	0	0	0	110.9	Y319 R323 E330 L331	Y319-A326 HydrophobicContact CD1-CB 4.41Å; Y319-A326 HydrophobicContact CE1-CB 4.15Å; R323-A326 HydrophobicContact CB-CB 4.28Å; R323-A326 HydrophobicContact CG-CB 3.73Å; R323-A326 WeakPolarHBondContact O-CB 3.29Å; R323-A326 PolarHBondContact O-N 3.5Å; A326-E330 VanDerWaalsContact CA-OE2 3.28Å; A326-E330 WeakPolarHBondContact CA-OE2 3.39Å; A326-L331 HydrophobicContact CB-CD1 4.19Å; A326-L331 HydrophobicContact CB-CD2 3.9Å; A326-L331 HydrophobicContact CB-CG 3.88Å
327	Q	83.1	Confident	84.5	Confident	139 Å²	139	76.5 Å²	76.5	65%	0.65	36%	0.36	S	S	*	.			trans	-75.8	154.5	176.1	-68.4	-175.8	-32.1	0	0	111.3	N325 I329 E330 L331	N325-Q327 PolarHBondContact O-N 2.89Å; Q327-I329 PolarHBondContact O-N 3.29Å; Q327-I329 VanDerWaalsContact O-N 3.12Å; Q327-E330 HydrophobicContact CB-CB 4.39Å; Q327-E330 PolarHBondContact N-OE2 2.64Å; Q327-E330 WeakPolarHBondContact O-CB 3.21Å; Q327-E330 PolarHBondContact O-N 3.4Å; Q327-L331 WeakPolarHBondContact O-CG 3.17Å; Q327-L331 PolarHBondContact O-N 2.95Å
328	N	80.9	Confident	84.9	Confident	133 Å²	133	78.1 Å²	78.1	71%	0.711	37%	0.367	S	S	*	.	H	α-helix	trans	-53.6	-35.9	177	-70.3	-22.9	0	0	0	112.8	L331 M332	N328-L331 PolarHBondContact O-N 3.11Å; N328-M332 WeakPolarHBondContact O-CG 3.3Å; N328-M332 PolarHBondContact O-N 3.25Å
329	I	80.4	Confident	84.9	Confident	81 Å²	81	79 Å²	79	42%	0.415	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-45.2	176.9	-56	-179.4	0	0	0	111.4	Q327 L331 M332 I333 L541	Q327-I329 PolarHBondContact O-N 3.29Å; Q327-I329 VanDerWaalsContact O-N 3.12Å; I329-L331 VanDerWaalsContact C-N 3.31Å; I329-L331 PolarHBondContact O-N 2.99Å; I329-M332 PolarHBondContact O-N 3.14Å; I329-I333 HydrophobicContact CG2-CD1 3.93Å; I329-I333 WeakPolarHBondContact O-CG1 3.46Å; I329-I333 PolarHBondContact O-N 2.95Å; I329-L541 HydrophobicContact CD1-CD2 4.03Å; I329-L541 HydrophobicContact CG1-CD2 4.02Å; I329-L541 HydrophobicContact CG2-CD1 3.92Å; I329-L541 HydrophobicContact CG2-CD2 4.1Å; I329-L541 HydrophobicContact CG2-CG 4.45Å
330	E	87.1	Confident	84.9	Confident	45 Å²	45	79.8 Å²	79.8	21%	0.21	39%	0.388	C	S	.	.	H	α-helix	trans	-57.6	-45.7	175.2	-177	-179.5	180	0	0	110.3	Y319 R323 A326 Q327 M332 I333 V334	Y319-E330 HydrophobicContact CE1-CG 4.22Å; Y319-E330 PolarHBondContact OH-OE1 2.99Å; R323-E330 WeakPolarHBondContact CG-OE1 3.38Å; R323-E330 IonicContact NE-OE1 2.68Å; R323-E330 PolarHBondContact NE-OE1 2.82Å; R323-E330 IonicContact NE-OE2 2.63Å; A326-E330 VanDerWaalsContact CA-OE2 3.28Å; A326-E330 WeakPolarHBondContact CA-OE2 3.39Å; Q327-E330 HydrophobicContact CB-CB 4.39Å; Q327-E330 PolarHBondContact N-OE2 2.64Å; Q327-E330 WeakPolarHBondContact O-CB 3.21Å; Q327-E330 PolarHBondContact O-N 3.4Å; E330-M332 PolarHBondContact O-N 3.31Å; E330-I333 PolarHBondContact O-N 2.99Å; E330-V334 HydrophobicContact CG-CG2 4.45Å; E330-V334 VanDerWaalsContact O-CB 3.28Å; E330-V334 WeakPolarHBondContact O-CB 3.45Å; E330-V334 WeakPolarHBondContact O-CG2 3.45Å; E330-V334 PolarHBondContact O-N 3.23Å
331	L	83.3	Confident	85.2	Confident	15 Å²	15	80 Å²	80	8%	0.079	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-43.6	178.1	-67.2	159.4	0	0	0	112.5	T315 Y319 Q320 A326 Q327 N328 I329 G335	T315-L331 HydrophobicContact CG2-CD2 4.46Å; T315-L331 VanDerWaalsContact CG2-O 3.27Å; T315-L331 WeakPolarHBondContact CG2-O 3.4Å; Y319-L331 HydrophobicContact CD1-CD2 3.99Å; Q320-L331 HydrophobicContact CG-CD1 4.37Å; Q320-L331 HydrophobicContact CG-CD2 3.57Å; Q320-L331 VanDerWaalsContact NE2-CD1 3.26Å; A326-L331 HydrophobicContact CB-CD1 4.19Å; A326-L331 HydrophobicContact CB-CD2 3.9Å; A326-L331 HydrophobicContact CB-CG 3.88Å; Q327-L331 WeakPolarHBondContact O-CG 3.17Å; Q327-L331 PolarHBondContact O-N 2.95Å; N328-L331 PolarHBondContact O-N 3.11Å; I329-L331 VanDerWaalsContact C-N 3.31Å; I329-L331 PolarHBondContact O-N 2.99Å; L331-G335 PolarHBondContact O-N 2.84Å
332	M	81	Confident	85.7	Confident	82 Å²	82	76 Å²	76	40%	0.404	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-42.1	176.9	-74.2	178.9	68.4	0	0	112.7	N328 I329 E330 R336	N328-M332 WeakPolarHBondContact O-CG 3.3Å; N328-M332 PolarHBondContact O-N 3.25Å; I329-M332 PolarHBondContact O-N 3.14Å; E330-M332 PolarHBondContact O-N 3.31Å; M332-R336 WeakPolarHBondContact O-CG 3.15Å; M332-R336 PolarHBondContact O-N 3.5Å
333	I	84.6	Confident	86.1	Confident	64 Å²	64	68.1 Å²	68.1	33%	0.328	35%	0.35	S	S	.	.	H	α-helix	trans	-67	-50.8	177.9	-66.4	168.3	0	0	0	110.2	I329 E330 G335 R336 V337 C539	I329-I333 HydrophobicContact CG2-CD1 3.93Å; I329-I333 WeakPolarHBondContact O-CG1 3.46Å; I329-I333 PolarHBondContact O-N 2.95Å; E330-I333 PolarHBondContact O-N 2.99Å; I333-G335 VanDerWaalsContact C-N 3.33Å; I333-G335 PolarHBondContact O-N 3.47Å; I333-R336 PolarHBondContact O-N 2.82Å; I333-R336 VanDerWaalsContact O-N 3.14Å; I333-V337 HydrophobicContact CG2-CG2 4.4Å; I333-V337 WeakPolarHBondContact O-CG2 3.31Å; I333-V337 PolarHBondContact O-N 3.18Å; I333-C539 HydrophobicContact CG1-CB 4.02Å
334	V	88.1	Confident	86.3	Confident	29 Å²	29	64 Å²	64	18%	0.176	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-41.6	-179.1	167.9	0	0	0	0	111.5	F314 Y319 E330 R336 V337 F338	F314-V334 HydrophobicContact CD1-CG1 4.18Å; F314-V334 HydrophobicContact CE1-CG1 3.65Å; Y319-V334 HydrophobicContact CD1-CG1 4.14Å; Y319-V334 HydrophobicContact CD2-CG1 3.68Å; Y319-V334 HydrophobicContact CE1-CB 4.49Å; Y319-V334 HydrophobicContact CE1-CG1 4.28Å; Y319-V334 HydrophobicContact CE1-CG2 4.09Å; Y319-V334 HydrophobicContact CE2-CG1 3.84Å; Y319-V334 HydrophobicContact CE2-CG2 4.17Å; Y319-V334 HydrophobicContact CG-CG1 3.84Å; E330-V334 HydrophobicContact CG-CG2 4.45Å; E330-V334 VanDerWaalsContact O-CB 3.28Å; E330-V334 WeakPolarHBondContact O-CB 3.45Å; E330-V334 WeakPolarHBondContact O-CG2 3.45Å; E330-V334 PolarHBondContact O-N 3.23Å; V334-R336 VanDerWaalsContact C-N 3.35Å; V334-R336 PolarHBondContact O-N 3.44Å; V334-V337 PolarHBondContact O-N 3.09Å; V334-F338 VanDerWaalsContact O-CB 3.29Å; V334-F338 WeakPolarHBondContact O-CB 3.47Å; V334-F338 PolarHBondContact O-N 3.35Å
335	G	86.1	Confident	87	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-40	175	0	0	0	0	0	113.2	S311 L331 I333 F338 I339	S311-G335 WeakPolarHBondContact OG-CA 3.37Å; L331-G335 PolarHBondContact O-N 2.84Å; I333-G335 VanDerWaalsContact C-N 3.33Å; I333-G335 PolarHBondContact O-N 3.47Å; G335-F338 PolarHBondContact O-N 3.44Å; G335-I339 WeakPolarHBondContact O-CG1 3Å; G335-I339 PolarHBondContact O-N 3.06Å
336	R	84.2	Confident	87.5	Confident	65 Å²	65	53.6 Å²	53.6	25%	0.245	30%	0.299	C	S	.	.	H	α-helix	trans	-70.7	-42.6	176.9	-71.1	177.4	-178.8	-136.4	-7.2	112.5	V73 M332 I333 V334 F338 I339 A340 W537 L538 G540	V73-R336 PolarHBondContact O-NH1 3.46Å; V73-R336 PolarHBondContact O-NH2 3.14Å; V73-R336 VanDerWaalsContact O-NH2 3.11Å; M332-R336 WeakPolarHBondContact O-CG 3.15Å; M332-R336 PolarHBondContact O-N 3.5Å; I333-R336 PolarHBondContact O-N 2.82Å; I333-R336 VanDerWaalsContact O-N 3.14Å; V334-R336 VanDerWaalsContact C-N 3.35Å; V334-R336 PolarHBondContact O-N 3.44Å; R336-F338 VanDerWaalsContact C-N 3.3Å; R336-F338 PolarHBondContact O-N 2.96Å; R336-I339 PolarHBondContact O-N 3.16Å; R336-A340 PolarHBondContact O-N 3.23Å; R336-A340 VanDerWaalsContact O-N 3.15Å; R336-W537 PolarHBondContact NH1-O 3.05Å; R336-L538 VanDerWaalsContact CD-O 3.3Å; R336-L538 WeakPolarHBondContact CD-O 3.27Å; R336-L538 VanDerWaalsContact NH1-C 3.29Å; R336-L538 PolarHBondContact NH1-O 3.46Å; R336-G540 VanDerWaalsContact NH1-N 3.13Å
337	V	87.6	Confident	88.1	Confident	91 Å²	91	54.5 Å²	54.5	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-42.2	173.2	173.3	0	0	0	0	110.6	I333 V334 A340 V341	I333-V337 HydrophobicContact CG2-CG2 4.4Å; I333-V337 WeakPolarHBondContact O-CG2 3.31Å; I333-V337 PolarHBondContact O-N 3.18Å; V334-V337 PolarHBondContact O-N 3.09Å; V337-A340 WeakPolarHBondContact O-CB 3.31Å; V337-A340 PolarHBondContact O-N 2.63Å; V337-V341 PolarHBondContact O-N 2.84Å; V337-V341 VanDerWaalsContact O-N 3.15Å
338	F	90.6	Very high	88.6	Confident	34 Å²	34	51.2 Å²	51.2	15%	0.149	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-41.2	176.3	177.2	-100	0	0	0	112.7	L30 F314 V334 G335 R336 A340 V341 L342	L30-F338 HydrophobicContact CD1-CE1 4.2Å; L30-F338 HydrophobicContact CD1-CZ 3.76Å; L30-F338 HydrophobicContact CD2-CE1 3.66Å; L30-F338 HydrophobicContact CD2-CZ 3.83Å; L30-F338 HydrophobicContact CG-CZ 4.26Å; F314-F338 HydrophobicContact CB-CD1 3.49Å; F314-F338 VanDerWaalsContact CB-CD1 3.49Å; F314-F338 HydrophobicContact CB-CD2 4.43Å; F314-F338 HydrophobicContact CB-CE1 3.65Å; F314-F338 HydrophobicContact CB-CG 3.92Å; F314-F338 HydrophobicContact CB-CZ 4.22Å; F314-F338 HydrophobicContact CD1-CB 3.67Å; F314-F338 HydrophobicContact CD1-CD1 4.04Å; F314-F338 AromaticContact CD1-CD2 3.93Å; F314-F338 HydrophobicContact CD1-CD2 3.93Å; F314-F338 AromaticContact CD1-CG 3.57Å; F314-F338 HydrophobicContact CD1-CG 3.57Å; F314-F338 HydrophobicContact CD2-CD1 4.1Å; F314-F338 AromaticContact CD2-CD2 3.49Å; F314-F338 HydrophobicContact CD2-CD2 3.49Å; F314-F338 VanDerWaalsContact CD2-CD2 3.49Å; F314-F338 HydrophobicContact CD2-CE1 4.09Å; F314-F338 AromaticContact CD2-CE2 3.48Å; F314-F338 HydrophobicContact CD2-CE2 3.48Å; F314-F338 VanDerWaalsContact CD2-CE2 3.48Å; F314-F338 AromaticContact CD2-CG 3.82Å; F314-F338 HydrophobicContact CD2-CG 3.82Å; F314-F338 AromaticContact CD2-CZ 3.81Å; F314-F338 HydrophobicContact CD2-CZ 3.81Å; F314-F338 HydrophobicContact CE1-CB 3.93Å; F314-F338 HydrophobicContact CE1-CD2 4.02Å; F314-F338 HydrophobicContact CE1-CG 4.01Å; F314-F338 AromaticContact CE2-CD2 3.59Å; F314-F338 HydrophobicContact CE2-CD2 3.59Å; F314-F338 AromaticContact CE2-CE2 3.75Å; F314-F338 HydrophobicContact CE2-CE2 3.75Å; F314-F338 HydrophobicContact CE2-CG 4.23Å; F314-F338 HydrophobicContact CG-CB 4.1Å; F314-F338 AromaticContact CG-CD1 3.6Å; F314-F338 HydrophobicContact CG-CD1 3.6Å; F314-F338 AromaticContact CG-CD2 3.67Å; F314-F338 HydrophobicContact CG-CD2 3.67Å; F314-F338 AromaticContact CG-CE1 3.94Å; F314-F338 HydrophobicContact CG-CE1 3.94Å; F314-F338 HydrophobicContact CG-CE2 4.01Å; F314-F338 AromaticContact CG-CG 3.46Å; F314-F338 HydrophobicContact CG-CG 3.46Å; F314-F338 VanDerWaalsContact CG-CG 3.46Å; F314-F338 HydrophobicContact CG-CZ 4.14Å; F314-F338 AromaticContact CZ-CD2 3.86Å; F314-F338 HydrophobicContact CZ-CD2 3.86Å; F314-F338 HydrophobicContact CZ-CE2 4.46Å; F314-F338 HydrophobicContact CZ-CG 4.32Å; V334-F338 VanDerWaalsContact O-CB 3.29Å; V334-F338 WeakPolarHBondContact O-CB 3.47Å; V334-F338 PolarHBondContact O-N 3.35Å; G335-F338 PolarHBondContact O-N 3.44Å; R336-F338 VanDerWaalsContact C-N 3.3Å; R336-F338 PolarHBondContact O-N 2.96Å; F338-A340 VanDerWaalsContact C-N 3.29Å; F338-A340 PolarHBondContact O-N 3.01Å; F338-V341 PolarHBondContact O-N 3.35Å; F338-L342 HydrophobicContact CE1-CB 4.46Å; F338-L342 HydrophobicContact CE1-CD1 4.38Å; F338-L342 HydrophobicContact CE1-CD2 4.23Å; F338-L342 HydrophobicContact CZ-CD1 4.06Å; F338-L342 WeakPolarHBondContact O-CB 3.5Å; F338-L342 PolarHBondContact O-N 3.49Å
339	I	89.4	Confident	89.3	Confident	22 Å²	22	47.2 Å²	47.2	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-43.6	172.6	-70.4	158.3	0	0	0	110.8	F307 G335 R336 V341 L342 V343	F307-I339 HydrophobicContact CB-CD1 3.94Å; F307-I339 HydrophobicContact CB-CG1 4.07Å; F307-I339 HydrophobicContact CB-CG2 3.98Å; F307-I339 HydrophobicContact CD1-CG2 3.92Å; F307-I339 HydrophobicContact CD2-CG2 3.93Å; F307-I339 HydrophobicContact CE1-CG2 4.41Å; F307-I339 HydrophobicContact CE2-CG2 4.4Å; F307-I339 HydrophobicContact CG-CG2 3.67Å; G335-I339 WeakPolarHBondContact O-CG1 3Å; G335-I339 PolarHBondContact O-N 3.06Å; R336-I339 PolarHBondContact O-N 3.16Å; I339-V341 PolarHBondContact O-N 2.86Å; I339-L342 WeakPolarHBondContact O-CB 3.41Å; I339-L342 PolarHBondContact O-N 3.01Å; I339-V343 HydrophobicContact CG2-CG2 4.3Å; I339-V343 WeakPolarHBondContact O-CG2 3.13Å; I339-V343 PolarHBondContact O-N 2.89Å
340	A	89	Confident	89.8	Confident	67 Å²	67	43.4 Å²	43.4	55%	0.554	26%	0.255	S	S	*	.	H	α-helix	trans	-62.1	-41.4	179.1	0	0	0	0	0	112.5	R336 V337 F338 V343 G344	R336-A340 PolarHBondContact O-N 3.23Å; R336-A340 VanDerWaalsContact O-N 3.15Å; V337-A340 WeakPolarHBondContact O-CB 3.31Å; V337-A340 PolarHBondContact O-N 2.63Å; F338-A340 VanDerWaalsContact C-N 3.29Å; F338-A340 PolarHBondContact O-N 3.01Å; A340-V343 PolarHBondContact O-N 2.99Å; A340-G344 PolarHBondContact O-N 3.25Å
341	V	92	Very high	89.9	Confident	81 Å²	81	43.4 Å²	43.4	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-45	173.2	175.5	0	0	0	0	111.2	V337 F338 I339 V343 G344 L345	V337-V341 PolarHBondContact O-N 2.84Å; V337-V341 VanDerWaalsContact O-N 3.15Å; F338-V341 PolarHBondContact O-N 3.35Å; I339-V341 PolarHBondContact O-N 2.86Å; V341-V343 VanDerWaalsContact C-N 3.33Å; V341-V343 PolarHBondContact O-N 3.18Å; V341-G344 PolarHBondContact O-N 3.43Å; V341-L345 HydrophobicContact CG1-CD1 4.24Å; V341-L345 WeakPolarHBondContact O-CG 3.39Å; V341-L345 PolarHBondContact O-N 2.87Å
342	L	92.4	Very high	90.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-40.6	179.4	-168.1	73.7	0	0	0	112	I34 I38 S310 F338 I339 S346	I34-L342 HydrophobicContact CD1-CD1 3.83Å; I34-L342 HydrophobicContact CG1-CD1 3.52Å; I34-L342 HydrophobicContact CG1-CG 4.32Å; I38-L342 HydrophobicContact CD1-CD2 3.5Å; I38-L342 VanDerWaalsContact CD1-CD2 3.5Å; I38-L342 HydrophobicContact CD1-CG 3.68Å; S310-L342 VanDerWaalsContact OG-CD2 3.3Å; S310-L342 WeakPolarHBondContact OG-CD2 3.46Å; F338-L342 HydrophobicContact CE1-CB 4.46Å; F338-L342 HydrophobicContact CE1-CD1 4.38Å; F338-L342 HydrophobicContact CE1-CD2 4.23Å; F338-L342 HydrophobicContact CZ-CD1 4.06Å; F338-L342 WeakPolarHBondContact O-CB 3.5Å; F338-L342 PolarHBondContact O-N 3.49Å; I339-L342 WeakPolarHBondContact O-CB 3.41Å; I339-L342 PolarHBondContact O-N 3.01Å; L342-S346 WeakPolarHBondContact O-CB 3.36Å; L342-S346 PolarHBondContact O-N 2.68Å; L342-S346 PolarHBondContact O-OG 3.21Å
343	V	92.2	Very high	90.5	Very high	22 Å²	22	41.9 Å²	41.9	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-48.1	172.6	166.2	0	0	0	0	110.8	L65 F307 I339 A340 V341 L345 S346 V347	L65-V343 HydrophobicContact CD1-CG1 4.15Å; L65-V343 HydrophobicContact CD2-CG1 3.58Å; L65-V343 HydrophobicContact CD2-CG2 4.49Å; F307-V343 HydrophobicContact CD1-CG2 4.49Å; F307-V343 HydrophobicContact CE1-CG2 3.56Å; F307-V343 HydrophobicContact CE2-CG2 4.19Å; F307-V343 HydrophobicContact CZ-CG2 3.38Å; I339-V343 HydrophobicContact CG2-CG2 4.3Å; I339-V343 WeakPolarHBondContact O-CG2 3.13Å; I339-V343 PolarHBondContact O-N 2.89Å; A340-V343 PolarHBondContact O-N 2.99Å; V341-V343 VanDerWaalsContact C-N 3.33Å; V341-V343 PolarHBondContact O-N 3.18Å; V343-L345 PolarHBondContact O-N 3.45Å; V343-S346 PolarHBondContact O-N 2.97Å; V343-S346 VanDerWaalsContact O-N 3.07Å; V343-V347 HydrophobicContact CG1-CG2 4.32Å; V343-V347 WeakPolarHBondContact O-CG2 3.37Å; V343-V347 PolarHBondContact O-N 3.4Å
344	G	93	Very high	90.4	Very high	41 Å²	41	40.9 Å²	40.9	42%	0.423	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-46.8	178.1	0	0	0	0	0	112.9	A340 V341 S346 V347 A348	A340-G344 PolarHBondContact O-N 3.25Å; V341-G344 PolarHBondContact O-N 3.43Å; G344-S346 VanDerWaalsContact C-N 3.34Å; G344-S346 PolarHBondContact O-N 3.19Å; G344-V347 PolarHBondContact O-N 3.39Å; G344-A348 WeakPolarHBondContact O-CB 3.48Å; G344-A348 PolarHBondContact O-N 3.15Å
345	L	95.8	Very high	89.8	Confident	96 Å²	96	46.3 Å²	46.3	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-38.3	174.8	-66.5	174.2	0	0	0	112.5	I34 V341 V343 A348 W349	I34-L345 HydrophobicContact CD1-CB 4.1Å; I34-L345 HydrophobicContact CD1-CD1 4.02Å; V341-L345 HydrophobicContact CG1-CD1 4.24Å; V341-L345 WeakPolarHBondContact O-CG 3.39Å; V341-L345 PolarHBondContact O-N 2.87Å; V343-L345 PolarHBondContact O-N 3.45Å; L345-A348 PolarHBondContact O-N 3.38Å; L345-W349 PolarHBondContact O-N 2.89Å
346	S	95	Very high	89	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-36.7	179.6	-56.7	0	0	0	0	112.8	I38 S39 L342 V343 G344 W349	I38-S346 WeakPolarHBondContact CB-OG 3.22Å; I38-S346 WeakPolarHBondContact CG2-OG 3.37Å; S39-S346 WeakPolarHBondContact CB-O 3.48Å; L342-S346 WeakPolarHBondContact O-CB 3.36Å; L342-S346 PolarHBondContact O-N 2.68Å; L342-S346 PolarHBondContact O-OG 3.21Å; V343-S346 PolarHBondContact O-N 2.97Å; V343-S346 VanDerWaalsContact O-N 3.07Å; G344-S346 VanDerWaalsContact C-N 3.34Å; G344-S346 PolarHBondContact O-N 3.19Å; S346-W349 PolarHBondContact O-N 3.22Å
347	V	94.4	Very high	88	Confident	35 Å²	35	45.3 Å²	45.3	21%	0.212	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-43.1	173.9	174.2	0	0	0	0	110.7	L42 W58 I61 L65 V343 G344 W349 I350	L42-V347 HydrophobicContact CD1-CG2 4Å; W58-V347 HydrophobicContact CZ3-CG1 4.09Å; I61-V347 HydrophobicContact CG2-CG2 4.5Å; L65-V347 HydrophobicContact CD1-CG2 3.61Å; V343-V347 HydrophobicContact CG1-CG2 4.32Å; V343-V347 WeakPolarHBondContact O-CG2 3.37Å; V343-V347 PolarHBondContact O-N 3.4Å; G344-V347 PolarHBondContact O-N 3.39Å; V347-W349 PolarHBondContact O-N 3.15Å; V347-W349 VanDerWaalsContact O-N 3.16Å; V347-I350 PolarHBondContact O-N 3.04Å; V347-I350 VanDerWaalsContact O-N 3.12Å
348	A	94.7	Very high	86.7	Confident	70 Å²	70	41 Å²	41	58%	0.579	24%	0.242	S	C	*	.	H	α-helix	trans	-61.3	-21.6	175.7	0	0	0	0	0	113.4	G344 L345	G344-A348 WeakPolarHBondContact O-CB 3.48Å; G344-A348 PolarHBondContact O-N 3.15Å; L345-A348 PolarHBondContact O-N 3.38Å
349	W	93.7	Very high	85.7	Confident	49 Å²	49	39.9 Å²	39.9	19%	0.186	24%	0.238	C	C	.	.	H	α-helix	trans	-82	-20.6	176.9	-162.4	-100.6	0	0	0	114.4	F35 L345 S346 V347 I352 M353 Y364 F413	F35-W349 AromaticContact CD1-CD2 3.7Å; F35-W349 HydrophobicContact CD1-CD2 3.7Å; F35-W349 AromaticContact CD1-CE2 3.45Å; F35-W349 VanDerWaalsContact CD1-CE2 3.45Å; F35-W349 HydrophobicContact CD1-CE3 4.22Å; F35-W349 HydrophobicContact CD1-CG 4.09Å; F35-W349 HydrophobicContact CD1-CH2 4.31Å; F35-W349 AromaticContact CD1-CZ2 3.79Å; F35-W349 HydrophobicContact CD1-CZ2 3.79Å; F35-W349 AromaticContact CD1-NE1 3.66Å; F35-W349 AromaticContact CE1-CD2 3.69Å; F35-W349 HydrophobicContact CE1-CD2 3.69Å; F35-W349 AromaticContact CE1-CE2 3.66Å; F35-W349 AromaticContact CE1-CE3 3.71Å; F35-W349 HydrophobicContact CE1-CE3 3.71Å; F35-W349 HydrophobicContact CE1-CG 4.44Å; F35-W349 AromaticContact CE1-CH2 3.74Å; F35-W349 HydrophobicContact CE1-CH2 3.74Å; F35-W349 AromaticContact CE1-CZ2 3.7Å; F35-W349 HydrophobicContact CE1-CZ2 3.7Å; F35-W349 AromaticContact CE1-CZ3 3.74Å; F35-W349 HydrophobicContact CE1-CZ3 3.74Å; F35-W349 HydrophobicContact CZ-CH2 4.44Å; L345-W349 PolarHBondContact O-N 2.89Å; S346-W349 PolarHBondContact O-N 3.22Å; V347-W349 PolarHBondContact O-N 3.15Å; V347-W349 VanDerWaalsContact O-N 3.16Å; W349-I352 HydrophobicContact CD2-CD1 4.28Å; W349-I352 HydrophobicContact CE3-CD1 3.69Å; W349-I352 HydrophobicContact CH2-CD1 4.34Å; W349-I352 HydrophobicContact CH2-CG2 4.26Å; W349-I352 HydrophobicContact CZ2-CG2 4.06Å; W349-I352 HydrophobicContact CZ3-CD1 3.72Å; W349-I352 PolarHBondContact O-N 2.87Å; W349-I352 VanDerWaalsContact O-N 3.15Å; W349-M353 PolarHBondContact O-N 3.23Å; W349-M353 VanDerWaalsContact O-N 3.09Å; W349-Y364 PolarHBondContact NE1-OH 2.9Å; W349-F413 HydrophobicContact CZ2-CD2 4.26Å; W349-F413 HydrophobicContact CZ2-CE1 4.31Å; W349-F413 AromaticContact CZ2-CE2 3.83Å; W349-F413 HydrophobicContact CZ2-CE2 3.83Å; W349-F413 AromaticContact CZ2-CZ 3.87Å; W349-F413 HydrophobicContact CZ2-CZ 3.87Å
350	I	92	Very high	85.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-44.5	-175	-65.1	174	0	0	0	113	L42 Y43 W58 I61 V347 I352 M353 Q354	L42-I350 HydrophobicContact CB-CD1 4.07Å; Y43-I350 HydrophobicContact CD2-CG2 4.1Å; Y43-I350 HydrophobicContact CG-CG2 4.41Å; W58-I350 HydrophobicContact CH2-CB 4.38Å; W58-I350 HydrophobicContact CH2-CG2 4.4Å; I61-I350 HydrophobicContact CD1-CD1 3.76Å; I61-I350 HydrophobicContact CD1-CG2 4.36Å; I61-I350 HydrophobicContact CG1-CD1 4.44Å; I61-I350 HydrophobicContact CG2-CD1 4.49Å; V347-I350 PolarHBondContact O-N 3.04Å; V347-I350 VanDerWaalsContact O-N 3.12Å; I350-I352 VanDerWaalsContact C-N 3.29Å; I350-I352 PolarHBondContact O-N 3.4Å; I350-M353 HydrophobicContact CG1-CE 4.35Å; I350-M353 HydrophobicContact CG2-CE 4.37Å; I350-M353 PolarHBondContact O-N 2.86Å; I350-Q354 HydrophobicContact CG2-CG 4.32Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 3Å
351	P	89.5	Confident	85.6	Confident	45 Å²	45	41.1 Å²	41.1	29%	0.292	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-35.3	178.4	-23	34.3	0	0	0	113.5	W58 Q354 Q355	W58-P351 HydrophobicContact CH2-CG 3.79Å; W58-P351 HydrophobicContact CZ2-CG 3.99Å; P351-Q354 PolarHBondContact O-N 3.46Å; P351-Q355 WeakPolarHBondContact O-CG 3.41Å; P351-Q355 PolarHBondContact O-N 2.95Å
352	I	88.6	Confident	85.5	Confident	65 Å²	65	45.2 Å²	45.2	33%	0.333	24%	0.24	S	C	.	.	H	α-helix	trans	-68.2	-47.7	178.7	-60.6	169.2	0	0	0	109.2	W349 I350 Q354 Q355 S356 F413	W349-I352 HydrophobicContact CD2-CD1 4.28Å; W349-I352 HydrophobicContact CE3-CD1 3.69Å; W349-I352 HydrophobicContact CH2-CD1 4.34Å; W349-I352 HydrophobicContact CH2-CG2 4.26Å; W349-I352 HydrophobicContact CZ2-CG2 4.06Å; W349-I352 HydrophobicContact CZ3-CD1 3.72Å; W349-I352 PolarHBondContact O-N 2.87Å; W349-I352 VanDerWaalsContact O-N 3.15Å; I350-I352 VanDerWaalsContact C-N 3.29Å; I350-I352 PolarHBondContact O-N 3.4Å; I352-Q354 VanDerWaalsContact C-N 3.33Å; I352-Q354 PolarHBondContact O-N 2.88Å; I352-Q355 PolarHBondContact O-N 3.13Å; I352-S356 PolarHBondContact O-N 2.9Å; I352-S356 PolarHBondContact O-OG 3.4Å; I352-S356 VanDerWaalsContact O-OG 3.06Å; I352-F413 HydrophobicContact CG2-CD1 4.03Å; I352-F413 HydrophobicContact CG2-CE1 4.3Å
353	M	86.7	Confident	85.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-43.7	175	173.7	177.4	64.7	0	0	112.3	V40 Y43 W349 I350 Q355 S356 Q357 G358 L361 Y364	V40-M353 HydrophobicContact CG2-SD 4Å; Y43-M353 VanDerWaalsContact CB-CE 3.42Å; Y43-M353 HydrophobicContact CD1-CE 3.48Å; Y43-M353 VanDerWaalsContact CD1-CE 3.48Å; Y43-M353 HydrophobicContact CD1-SD 4.45Å; Y43-M353 HydrophobicContact CE1-CE 4.38Å; Y43-M353 HydrophobicContact CG-CE 3.61Å; W349-M353 PolarHBondContact O-N 3.23Å; W349-M353 VanDerWaalsContact O-N 3.09Å; I350-M353 HydrophobicContact CG1-CE 4.35Å; I350-M353 HydrophobicContact CG2-CE 4.37Å; I350-M353 PolarHBondContact O-N 2.86Å; M353-Q355 VanDerWaalsContact C-N 3.31Å; M353-Q355 PolarHBondContact O-N 3.41Å; M353-S356 PolarHBondContact O-N 3.36Å; M353-Q357 PolarHBondContact O-N 3.39Å; M353-G358 WeakPolarHBondContact O-CA 3.23Å; M353-G358 PolarHBondContact O-N 3.22Å; M353-G358 VanDerWaalsContact O-N 3.15Å; M353-L361 HydrophobicContact CE-CD2 4.37Å; M353-L361 HydrophobicContact CG-CD2 4.31Å; M353-L361 HydrophobicContact SD-CD2 3.78Å; M353-Y364 HydrophobicContact CB-CE2 3.95Å; M353-Y364 HydrophobicContact CG-CD1 4.15Å; M353-Y364 HydrophobicContact CG-CD2 4.04Å; M353-Y364 HydrophobicContact CG-CE1 3.79Å; M353-Y364 HydrophobicContact CG-CE2 3.61Å; M353-Y364 HydrophobicContact CG-CG 4.29Å; M353-Y364 HydrophobicContact SD-CD1 3.94Å; M353-Y364 HydrophobicContact SD-CE1 3.42Å; M353-Y364 WeakPolarHBondContact SD-CE1 3.44Å; M353-Y364 HydrophobicContact SD-CE2 4.37Å
354	Q	84.1	Confident	85.5	Confident	43 Å²	43	46.9 Å²	46.9	20%	0.201	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-37.9	179.1	-75.9	-176.6	-76.9	0	0	112.9	Y43 H266 I350 P351 I352	Y43-Q354 HydrophobicContact CD2-CG 4.32Å; Y43-Q354 HydrophobicContact CE1-CG 4.41Å; Y43-Q354 HydrophobicContact CE2-CG 3.71Å; H266-Q354 PolarHBondContact NE2-NE2 3.16Å; I350-Q354 HydrophobicContact CG2-CG 4.32Å; I350-Q354 WeakPolarHBondContact O-CG 3.48Å; I350-Q354 PolarHBondContact O-N 3Å; P351-Q354 PolarHBondContact O-N 3.46Å; I352-Q354 VanDerWaalsContact C-N 3.33Å; I352-Q354 PolarHBondContact O-N 2.88Å
355	Q	75.8	Confident	85.5	Confident	144 Å²	144	47.1 Å²	47.1	67%	0.673	24%	0.239	S	C	*	.	H	α-helix	trans	-75	-34.9	-178.8	-70.5	173.2	26.3	0	0	113.3	P351 I352 M353	P351-Q355 WeakPolarHBondContact O-CG 3.41Å; P351-Q355 PolarHBondContact O-N 2.95Å; I352-Q355 PolarHBondContact O-N 3.13Å; M353-Q355 VanDerWaalsContact C-N 3.31Å; M353-Q355 PolarHBondContact O-N 3.41Å
356	S	67.8	Low	85.4	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-84.8	-53.9	-168.5	-50.4	0	0	0	0	114.1	I352 M353 F413	I352-S356 PolarHBondContact O-N 2.9Å; I352-S356 PolarHBondContact O-OG 3.4Å; I352-S356 VanDerWaalsContact O-OG 3.06Å; M353-S356 PolarHBondContact O-N 3.36Å; S356-F413 VanDerWaalsContact OG-CD1 3.28Å; S356-F413 WeakPolarHBondContact OG-CD1 3.49Å
357	Q	64.1	Low	85.3	Confident	38 Å²	38	44.2 Å²	44.2	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-144.8	26.6	179.7	-69.7	-174.6	-12.4	0	0	111.2	M353 S359 E360 Y364 D417	M353-Q357 PolarHBondContact O-N 3.39Å; Q357-S359 PolarHBondContact O-N 2.71Å; Q357-E360 PolarHBondContact O-N 3.41Å; Q357-E360 VanDerWaalsContact O-N 3.08Å; Q357-Y364 HydrophobicContact CB-CD2 4.44Å; Q357-D417 PolarHBondContact NE2-OD2 3.24Å
358	G	59.3	Low	85.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.6	-169.2	0	0	0	0	0	115.7	N272 M353	N272-G358 PolarHBondContact ND2-O 2.74Å; M353-G358 WeakPolarHBondContact O-CA 3.23Å; M353-G358 PolarHBondContact O-N 3.22Å; M353-G358 VanDerWaalsContact O-N 3.15Å
359	S	69.4	Low	85.3	Confident	10 Å²	10	39.7 Å²	39.7	7%	0.07	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.4	178.3	-69.2	0	0	0	0	114.5	G269 N272 Q357	G269-S359 PolarHBondContact N-OG 3.36Å; G269-S359 VanDerWaalsContact O-CB 3.25Å; G269-S359 WeakPolarHBondContact O-CB 3.45Å; G269-S359 PolarHBondContact O-OG 3.08Å; N272-S359 VanDerWaalsContact CG-O 3.3Å; N272-S359 PolarHBondContact ND2-O 2.81Å; N272-S359 PolarHBondContact OD1-O 3.34Å; Q357-S359 PolarHBondContact O-N 2.71Å
360	E	87.1	Confident	85.4	Confident	104 Å²	104	37.4 Å²	37.4	49%	0.486	18%	0.18	S	C	.	.			trans	-134.1	70.5	-176.5	-62.8	-165.3	117.3	0	0	111.1	Q357 Y362 I363 Y364	Q357-E360 PolarHBondContact O-N 3.41Å; Q357-E360 VanDerWaalsContact O-N 3.08Å; E360-Y362 PolarHBondContact O-N 3.28Å; E360-I363 HydrophobicContact CB-CB 4.38Å; E360-I363 HydrophobicContact CB-CD1 4.28Å; E360-I363 PolarHBondContact O-N 3.15Å; E360-Y364 PolarHBondContact O-N 3.44Å
361	L	89.7	Confident	85.5	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-56.9	-32.3	-170.3	-76.9	167.7	0	0	0	114.2	Y43 L47 N272 M353 Y364 I365	Y43-L361 HydrophobicContact CD1-CD1 3.55Å; Y43-L361 HydrophobicContact CD1-CD2 3.51Å; Y43-L361 HydrophobicContact CD1-CG 4.02Å; Y43-L361 HydrophobicContact CE1-CD1 3.65Å; Y43-L361 HydrophobicContact CE1-CD2 3.67Å; Y43-L361 HydrophobicContact CE1-CG 3.91Å; L47-L361 HydrophobicContact CD1-CD1 3.87Å; N272-L361 PolarHBondContact OD1-N 3.06Å; M353-L361 HydrophobicContact CE-CD2 4.37Å; M353-L361 HydrophobicContact CG-CD2 4.31Å; M353-L361 HydrophobicContact SD-CD2 3.78Å; L361-Y364 PolarHBondContact O-N 3.27Å; L361-I365 WeakPolarHBondContact O-CD1 3.19Å; L361-I365 WeakPolarHBondContact O-CG1 3.46Å; L361-I365 PolarHBondContact O-N 3.49Å
362	Y	91.2	Very high	85.8	Confident	167 Å²	167	35.7 Å²	35.7	66%	0.655	17%	0.168	S	C	*	.	H	α-helix	trans	-63.6	-41.7	178	-168.3	-93.8	0	0	0	112.2	E360 I365 Q366	E360-Y362 PolarHBondContact O-N 3.28Å; Y362-I365 PolarHBondContact O-N 3.5Å; Y362-Q366 HydrophobicContact CD1-CG 4.13Å; Y362-Q366 HydrophobicContact CE1-CG 3.78Å; Y362-Q366 VanDerWaalsContact O-CG 3.31Å; Y362-Q366 WeakPolarHBondContact O-CG 3.14Å; Y362-Q366 PolarHBondContact O-N 3.01Å; Y362-Q366 VanDerWaalsContact O-N 3.16Å; Y362-Q366 PolarHBondContact OH-NE2 2.92Å
363	I	91.4	Very high	86.1	Confident	56 Å²	56	32.6 Å²	32.6	29%	0.287	15%	0.152	S	C	.	.	H	α-helix	trans	-68.6	-43.2	178.6	-66.2	176.2	0	0	0	109.9	E360 I365 Q366 A367 Y435	E360-I363 HydrophobicContact CB-CB 4.38Å; E360-I363 HydrophobicContact CB-CD1 4.28Å; E360-I363 PolarHBondContact O-N 3.15Å; I363-I365 PolarHBondContact O-N 3.35Å; I363-Q366 PolarHBondContact O-N 2.83Å; I363-A367 VanDerWaalsContact O-CB 3.3Å; I363-A367 WeakPolarHBondContact O-CB 3.46Å; I363-A367 PolarHBondContact O-N 3.4Å; I363-Y435 HydrophobicContact CG2-CE1 4.13Å
364	Y	92.9	Very high	86.6	Confident	3 Å²	3	32.6 Å²	32.6	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-53.5	-48.6	173.9	166.8	-88.9	0	0	0	112.6	F35 V40 W349 M353 Q357 E360 L361 Q366 A367 I368 F413	F35-Y364 WeakPolarHBondContact O-CE1 3.32Å; F35-Y364 PolarHBondContact O-OH 2.96Å; V40-Y364 HydrophobicContact CG2-CD1 4.15Å; V40-Y364 HydrophobicContact CG2-CE1 3.7Å; W349-Y364 PolarHBondContact NE1-OH 2.9Å; M353-Y364 HydrophobicContact CB-CE2 3.95Å; M353-Y364 HydrophobicContact CG-CD1 4.15Å; M353-Y364 HydrophobicContact CG-CD2 4.04Å; M353-Y364 HydrophobicContact CG-CE1 3.79Å; M353-Y364 HydrophobicContact CG-CE2 3.61Å; M353-Y364 HydrophobicContact CG-CG 4.29Å; M353-Y364 HydrophobicContact SD-CD1 3.94Å; M353-Y364 HydrophobicContact SD-CE1 3.42Å; M353-Y364 WeakPolarHBondContact SD-CE1 3.44Å; M353-Y364 HydrophobicContact SD-CE2 4.37Å; Q357-Y364 HydrophobicContact CB-CD2 4.44Å; E360-Y364 PolarHBondContact O-N 3.44Å; L361-Y364 PolarHBondContact O-N 3.27Å; Y364-Q366 PolarHBondContact O-N 3.26Å; Y364-A367 PolarHBondContact O-N 2.85Å; Y364-I368 HydrophobicContact CD1-CD1 4.17Å; Y364-I368 HydrophobicContact CD2-CD1 3.97Å; Y364-I368 HydrophobicContact CE1-CD1 3.61Å; Y364-I368 HydrophobicContact CE2-CD1 3.41Å; Y364-I368 VanDerWaalsContact CE2-CD1 3.41Å; Y364-I368 HydrophobicContact CG-CD1 4.32Å; Y364-I368 PolarHBondContact O-N 3.24Å; Y364-I368 VanDerWaalsContact O-N 3.14Å; Y364-I368 WeakPolarHBondContact OH-CD1 3.38Å; Y364-F413 HydrophobicContact CE2-CE1 4.08Å; Y364-F413 AromaticContact CE2-CZ 3.92Å; Y364-F413 HydrophobicContact CE2-CZ 3.92Å
365	I	92.8	Very high	87.3	Confident	47 Å²	47	30.6 Å²	30.6	24%	0.241	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-48.6	178.3	-64.2	156.5	0	0	0	110.5	V40 L361 Y362 I363 A369	V40-I365 HydrophobicContact CG1-CD1 3.53Å; V40-I365 HydrophobicContact CG1-CG1 3.82Å; V40-I365 HydrophobicContact CG2-CG1 3.95Å; L361-I365 WeakPolarHBondContact O-CD1 3.19Å; L361-I365 WeakPolarHBondContact O-CG1 3.46Å; L361-I365 PolarHBondContact O-N 3.49Å; Y362-I365 PolarHBondContact O-N 3.5Å; I363-I365 PolarHBondContact O-N 3.35Å; I365-A369 WeakPolarHBondContact O-CB 3.33Å; I365-A369 PolarHBondContact O-N 2.85Å
366	Q	93.7	Very high	88.2	Confident	33 Å²	33	23.9 Å²	23.9	15%	0.154	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-36.1	-176.7	-63.2	-64.7	6.6	0	0	112.3	Y362 I363 Y364 A369 A370 Y435	Y362-Q366 HydrophobicContact CD1-CG 4.13Å; Y362-Q366 HydrophobicContact CE1-CG 3.78Å; Y362-Q366 VanDerWaalsContact O-CG 3.31Å; Y362-Q366 WeakPolarHBondContact O-CG 3.14Å; Y362-Q366 PolarHBondContact O-N 3.01Å; Y362-Q366 VanDerWaalsContact O-N 3.16Å; Y362-Q366 PolarHBondContact OH-NE2 2.92Å; I363-Q366 PolarHBondContact O-N 2.83Å; Y364-Q366 PolarHBondContact O-N 3.26Å; Q366-A369 PolarHBondContact O-N 3.5Å; Q366-A370 WeakPolarHBondContact O-CB 3.28Å; Q366-A370 PolarHBondContact O-N 3.44Å; Q366-Y435 HydrophobicContact CB-CE2 4.19Å
367	A	93.3	Very high	89.6	Confident	2 Å²	2	23.6 Å²	23.6	2%	0.017	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-47.9	176	0	0	0	0	0	111.6	I363 Y364 A369 A370 Y371 Y435	I363-A367 VanDerWaalsContact O-CB 3.3Å; I363-A367 WeakPolarHBondContact O-CB 3.46Å; I363-A367 PolarHBondContact O-N 3.4Å; Y364-A367 PolarHBondContact O-N 2.85Å; A367-A369 PolarHBondContact O-N 3.44Å; A367-A370 WeakPolarHBondContact O-CB 3.23Å; A367-A370 PolarHBondContact O-N 3.01Å; A367-Y371 HydrophobicContact CB-CE2 4.16Å; A367-Y371 VanDerWaalsContact O-CD1 3.29Å; A367-Y371 WeakPolarHBondContact O-CD1 3.49Å; A367-Y371 WeakPolarHBondContact O-CD2 3.48Å; A367-Y371 PolarHBondContact O-N 3.26Å; A367-Y435 HydrophobicContact CB-CD1 4.31Å; A367-Y435 HydrophobicContact CB-CD2 4.3Å; A367-Y435 HydrophobicContact CB-CG 4.1Å
368	I	93.2	Very high	91.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-66.3	-40.7	178	-65	166.2	0	0	0	111.4	L32 F35 T36 Y364 A370 Y371 L372 M409 F413	L32-I368 HydrophobicContact CD2-CG2 4.48Å; F35-I368 HydrophobicContact CB-CD1 4.38Å; F35-I368 HydrophobicContact CB-CG2 4.15Å; T36-I368 HydrophobicContact CG2-CB 3.84Å; T36-I368 HydrophobicContact CG2-CG2 3.44Å; T36-I368 VanDerWaalsContact CG2-CG2 3.44Å; Y364-I368 HydrophobicContact CD1-CD1 4.17Å; Y364-I368 HydrophobicContact CD2-CD1 3.97Å; Y364-I368 HydrophobicContact CE1-CD1 3.61Å; Y364-I368 HydrophobicContact CE2-CD1 3.41Å; Y364-I368 VanDerWaalsContact CE2-CD1 3.41Å; Y364-I368 HydrophobicContact CG-CD1 4.32Å; Y364-I368 PolarHBondContact O-N 3.24Å; Y364-I368 VanDerWaalsContact O-N 3.14Å; Y364-I368 WeakPolarHBondContact OH-CD1 3.38Å; I368-A370 VanDerWaalsContact C-N 3.33Å; I368-A370 PolarHBondContact O-N 2.98Å; I368-Y371 PolarHBondContact O-N 3.03Å; I368-Y371 VanDerWaalsContact O-N 3.14Å; I368-L372 HydrophobicContact CG2-CD1 4.39Å; I368-L372 PolarHBondContact O-N 2.98Å; I368-M409 HydrophobicContact CG2-SD 4.31Å; I368-F413 HydrophobicContact CD1-CZ 4.08Å; I368-F413 HydrophobicContact CG1-CZ 4.49Å
369	A	94.5	Very high	93	Very high	8 Å²	8	21.8 Å²	21.8	7%	0.066	10%	0.101	C	C	.	.	H	α-helix	trans	-58	-47.6	173	0	0	0	0	0	110.7	I365 Q366 A367 Y371 L372 T373 P374	I365-A369 WeakPolarHBondContact O-CB 3.33Å; I365-A369 PolarHBondContact O-N 2.85Å; Q366-A369 PolarHBondContact O-N 3.5Å; A367-A369 PolarHBondContact O-N 3.44Å; A369-Y371 PolarHBondContact O-N 3.42Å; A369-L372 PolarHBondContact O-N 2.91Å; A369-T373 HydrophobicContact CB-CG2 4.29Å; A369-T373 VanDerWaalsContact O-CB 3.24Å; A369-T373 WeakPolarHBondContact O-CB 3.29Å; A369-T373 VanDerWaalsContact O-CG2 3.23Å; A369-T373 WeakPolarHBondContact O-CG2 3.29Å; A369-T373 PolarHBondContact O-N 3.26Å; A369-T373 PolarHBondContact O-OG1 3.5Å; A369-P374 WeakPolarHBondContact O-CD 3.19Å
370	A	96	Very high	94.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.8	-27	175.5	0	0	0	0	0	114.2	Q366 A367 I368 P374 Y435 A439	Q366-A370 WeakPolarHBondContact O-CB 3.28Å; Q366-A370 PolarHBondContact O-N 3.44Å; A367-A370 WeakPolarHBondContact O-CB 3.23Å; A367-A370 PolarHBondContact O-N 3.01Å; I368-A370 VanDerWaalsContact C-N 3.33Å; I368-A370 PolarHBondContact O-N 2.98Å; A370-P374 WeakPolarHBondContact O-CD 3.44Å; A370-P374 WeakPolarHBondContact O-CG 3.35Å; A370-Y435 HydrophobicContact CB-CD2 3.72Å; A370-A439 HydrophobicContact CB-CB 3.86Å
371	Y	95.6	Very high	94.6	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.027	9%	0.091	C	C	.	.	H	α-helix	trans	-78.2	-43.4	178.1	-58.1	-27	0	0	0	113.4	A367 I368 A369 G405 R408 M409 T412 F438	A367-Y371 HydrophobicContact CB-CE2 4.16Å; A367-Y371 VanDerWaalsContact O-CD1 3.29Å; A367-Y371 WeakPolarHBondContact O-CD1 3.49Å; A367-Y371 WeakPolarHBondContact O-CD2 3.48Å; A367-Y371 PolarHBondContact O-N 3.26Å; I368-Y371 PolarHBondContact O-N 3.03Å; I368-Y371 VanDerWaalsContact O-N 3.14Å; A369-Y371 PolarHBondContact O-N 3.42Å; Y371-G405 WeakPolarHBondContact O-CA 3.43Å; Y371-R408 HydrophobicContact CD1-CB 4.35Å; Y371-R408 HydrophobicContact CD1-CG 3.37Å; Y371-R408 HydrophobicContact CD2-CG 4.4Å; Y371-R408 HydrophobicContact CE1-CG 3.38Å; Y371-R408 HydrophobicContact CE2-CG 4.42Å; Y371-R408 HydrophobicContact CG-CG 3.92Å; Y371-M409 HydrophobicContact CD2-CB 4.01Å; Y371-M409 HydrophobicContact CD2-CG 4.26Å; Y371-T412 HydrophobicContact CE2-CG2 4.39Å; Y371-T412 PolarHBondContact OH-OG1 3Å; Y371-F438 AromaticContact CD1-CD1 3.83Å; Y371-F438 HydrophobicContact CD1-CD1 3.83Å; Y371-F438 HydrophobicContact CD1-CE1 4.16Å; Y371-F438 HydrophobicContact CE1-CD1 4.49Å
372	L	94.7	Very high	94.9	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-108.7	-20.6	-166.9	-64.2	177.8	0	0	0	115	I28 L32 I368 A369 F406 M409	I28-L372 HydrophobicContact CD1-CD1 4.34Å; L32-L372 HydrophobicContact CD2-CB 4.01Å; L32-L372 HydrophobicContact CD2-CD1 3.97Å; L32-L372 HydrophobicContact CG-CD1 4.45Å; I368-L372 HydrophobicContact CG2-CD1 4.39Å; I368-L372 PolarHBondContact O-N 2.98Å; A369-L372 PolarHBondContact O-N 2.91Å; L372-F406 HydrophobicContact CD1-CE2 4.31Å; L372-F406 HydrophobicContact CD2-CD2 3.52Å; L372-F406 HydrophobicContact CD2-CE2 3.65Å; L372-F406 HydrophobicContact CD2-CG 4.35Å; L372-M409 HydrophobicContact CD1-CE 4.38Å; L372-M409 HydrophobicContact CD1-SD 3.89Å; L372-M409 HydrophobicContact CG-SD 4.41Å
373	T	95.7	Very high	95	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-94.8	-29.6	-169.1	74.9	0	0	0	0	116.4	L32 S195 W198 A369 P375 I376 A377	L32-T373 HydrophobicContact CD1-CG2 3.93Å; L32-T373 HydrophobicContact CD2-CG2 4.03Å; S195-T373 WeakPolarHBondContact CA-OG1 3.35Å; S195-T373 PolarHBondContact OG-OG1 2.93Å; W198-T373 VanDerWaalsContact CD2-CB 3.49Å; W198-T373 HydrophobicContact CD2-CG2 3.43Å; W198-T373 VanDerWaalsContact CD2-CG2 3.43Å; W198-T373 HydrophobicContact CE3-CG2 3.32Å; W198-T373 HydrophobicContact CG-CG2 4.09Å; W198-T373 HydrophobicContact CH2-CG2 3.91Å; W198-T373 HydrophobicContact CZ2-CG2 4.01Å; W198-T373 HydrophobicContact CZ3-CG2 3.57Å; A369-T373 HydrophobicContact CB-CG2 4.29Å; A369-T373 VanDerWaalsContact O-CB 3.24Å; A369-T373 WeakPolarHBondContact O-CB 3.29Å; A369-T373 VanDerWaalsContact O-CG2 3.23Å; A369-T373 WeakPolarHBondContact O-CG2 3.29Å; A369-T373 PolarHBondContact O-N 3.26Å; A369-T373 PolarHBondContact O-OG1 3.5Å; T373-P375 VanDerWaalsContact C-CD 3.48Å; T373-I376 WeakPolarHBondContact O-CB 3.33Å; T373-I376 PolarHBondContact O-N 2.89Å; T373-A377 PolarHBondContact O-N 2.92Å; T373-A377 VanDerWaalsContact O-N 3.11Å
374	P	97.2	Very high	95.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.9	-35.7	-179.7	-23.9	33.3	0	0	0	115.2	P194 A369 A370 I376 A377 S378 A439 F443	P194-P374 HydrophobicContact CB-CB 3.88Å; P194-P374 HydrophobicContact CB-CG 4.36Å; A369-P374 WeakPolarHBondContact O-CD 3.19Å; A370-P374 WeakPolarHBondContact O-CD 3.44Å; A370-P374 WeakPolarHBondContact O-CG 3.35Å; P374-I376 VanDerWaalsContact C-N 3.3Å; P374-I376 PolarHBondContact O-N 2.87Å; P374-A377 PolarHBondContact O-N 3.5Å; P374-S378 WeakPolarHBondContact O-CB 3.22Å; P374-S378 PolarHBondContact O-N 3.18Å; P374-S378 PolarHBondContact O-OG 3.35Å; P374-A439 HydrophobicContact CG-CB 3.67Å; P374-F443 HydrophobicContact CB-CB 3.98Å
375	P	97.2	Very high	95.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-34.9	172.9	-25.7	36.4	0	0	0	113.4	T373 S378 V379 S442 T446	T373-P375 VanDerWaalsContact C-CD 3.48Å; P375-S378 WeakPolarHBondContact O-CB 3.38Å; P375-S378 PolarHBondContact O-N 3.41Å; P375-V379 WeakPolarHBondContact O-CG2 3.33Å; P375-V379 PolarHBondContact O-N 3.28Å; P375-V379 VanDerWaalsContact O-N 3.08Å; P375-S442 WeakPolarHBondContact CD-OG 3.28Å; P375-S442 WeakPolarHBondContact CG-OG 3.36Å; P375-T446 HydrophobicContact CB-CG2 4.04Å
376	I	96.1	Very high	95.4	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-67.9	-45.4	176.6	-53.9	174.1	0	0	0	109.6	L25 I28 L32 T373 P374 S378 V379 F380 L398	L25-I376 HydrophobicContact CD2-CD1 4.46Å; L25-I376 HydrophobicContact CD2-CG1 4.29Å; L25-I376 HydrophobicContact CD2-CG2 3.75Å; I28-I376 HydrophobicContact CG1-CD1 4.38Å; I28-I376 HydrophobicContact CG2-CD1 3.79Å; L32-I376 HydrophobicContact CD1-CD1 4.39Å; T373-I376 WeakPolarHBondContact O-CB 3.33Å; T373-I376 PolarHBondContact O-N 2.89Å; P374-I376 VanDerWaalsContact C-N 3.3Å; P374-I376 PolarHBondContact O-N 2.87Å; I376-S378 VanDerWaalsContact C-N 3.33Å; I376-S378 PolarHBondContact O-N 2.82Å; I376-V379 PolarHBondContact O-N 2.96Å; I376-F380 VanDerWaalsContact O-CB 3.22Å; I376-F380 WeakPolarHBondContact O-CB 3.49Å; I376-F380 PolarHBondContact O-N 3.22Å; I376-L398 HydrophobicContact CG1-CD2 4.24Å
377	A	96.9	Very high	95.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60	-41.8	174.4	0	0	0	0	0	112.3	P194 I197 W198 T373 P374 F380 L381 F443	P194-A377 HydrophobicContact CB-CB 4.45Å; P194-A377 WeakPolarHBondContact O-CB 3.4Å; I197-A377 HydrophobicContact CB-CB 4.37Å; I197-A377 HydrophobicContact CG2-CB 4.22Å; W198-A377 HydrophobicContact CB-CB 4.2Å; T373-A377 PolarHBondContact O-N 2.92Å; T373-A377 VanDerWaalsContact O-N 3.11Å; P374-A377 PolarHBondContact O-N 3.5Å; A377-F380 PolarHBondContact O-N 3.41Å; A377-L381 WeakPolarHBondContact O-CB 3.33Å; A377-L381 WeakPolarHBondContact O-CG 3.46Å; A377-L381 PolarHBondContact O-N 3.42Å; A377-F443 HydrophobicContact CB-CD2 4.5Å; A377-F443 HydrophobicContact CB-CE2 4.35Å
378	S	97.7	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.6	-53.3	176.6	-57	0	0	0	0	111.5	P374 P375 I376 C382 F443	P374-S378 WeakPolarHBondContact O-CB 3.22Å; P374-S378 PolarHBondContact O-N 3.18Å; P374-S378 PolarHBondContact O-OG 3.35Å; P375-S378 WeakPolarHBondContact O-CB 3.38Å; P375-S378 PolarHBondContact O-N 3.41Å; I376-S378 VanDerWaalsContact C-N 3.33Å; I376-S378 PolarHBondContact O-N 2.82Å; S378-C382 WeakPolarHBondContact O-CB 3.35Å; S378-C382 PolarHBondContact O-N 2.97Å; S378-C382 PolarHBondContact O-SG 2.86Å; S378-F443 WeakPolarHBondContact OG-CA 3.46Å; S378-F443 WeakPolarHBondContact OG-CD2 3.33Å; S378-F443 PolarHBondContact OG-O 3.39Å
379	V	96.4	Very high	95.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.9	-36.7	-177.1	172.4	0	0	0	0	111.2	M12 F16 P375 I376 C382 A383 A394 L398 T446 V450	M12-V379 HydrophobicContact CE-CG1 3.8Å; F16-V379 HydrophobicContact CE2-CG1 4.5Å; P375-V379 WeakPolarHBondContact O-CG2 3.33Å; P375-V379 PolarHBondContact O-N 3.28Å; P375-V379 VanDerWaalsContact O-N 3.08Å; I376-V379 PolarHBondContact O-N 2.96Å; V379-C382 PolarHBondContact O-N 3.45Å; V379-A383 VanDerWaalsContact O-CB 3.27Å; V379-A383 WeakPolarHBondContact O-CB 3.42Å; V379-A383 PolarHBondContact O-N 3.16Å; V379-A394 HydrophobicContact CG1-CB 3.56Å; V379-L398 HydrophobicContact CB-CD2 4.12Å; V379-L398 HydrophobicContact CB-CG 4.36Å; V379-L398 HydrophobicContact CG1-CD1 4.39Å; V379-L398 HydrophobicContact CG1-CG 4.35Å; V379-L398 HydrophobicContact CG2-CD2 4.01Å; V379-L398 HydrophobicContact CG2-CG 4.03Å; V379-T446 HydrophobicContact CG2-CG2 4.17Å; V379-V450 HydrophobicContact CG2-CG2 3.65Å
380	F	94.9	Very high	95.5	Very high	22 Å²	22	22 Å²	22	10%	0.096	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-46.2	174.5	-178.6	-106.4	0	0	0	112.8	L8 Y11 M12 C201 I376 A377 A383 I384	L8-F380 HydrophobicContact CD1-CD2 3.62Å; L8-F380 HydrophobicContact CD1-CE2 3.45Å; L8-F380 VanDerWaalsContact CD1-CE2 3.45Å; Y11-F380 HydrophobicContact CD1-CE2 4.37Å; Y11-F380 HydrophobicContact CE1-CD2 4.35Å; Y11-F380 HydrophobicContact CE1-CE2 4.16Å; M12-F380 HydrophobicContact SD-CD2 4.42Å; C201-F380 HydrophobicContact CB-CD1 4.36Å; C201-F380 HydrophobicContact CB-CE1 3.47Å; C201-F380 VanDerWaalsContact CB-CE1 3.47Å; C201-F380 HydrophobicContact CB-CZ 3.95Å; C201-F380 WeakPolarHBondContact O-CZ 3.21Å; I376-F380 VanDerWaalsContact O-CB 3.22Å; I376-F380 WeakPolarHBondContact O-CB 3.49Å; I376-F380 PolarHBondContact O-N 3.22Å; A377-F380 PolarHBondContact O-N 3.41Å; F380-A383 WeakPolarHBondContact O-CB 3.18Å; F380-A383 PolarHBondContact O-N 3.48Å; F380-I384 HydrophobicContact CD1-CD1 4.03Å; F380-I384 HydrophobicContact CD2-CD1 4.22Å; F380-I384 HydrophobicContact CE1-CD1 3.5Å; F380-I384 VanDerWaalsContact CE1-CD1 3.5Å; F380-I384 HydrophobicContact CE2-CD1 3.73Å; F380-I384 HydrophobicContact CG-CD1 4.38Å; F380-I384 HydrophobicContact CZ-CD1 3.36Å; F380-I384 PolarHBondContact O-N 3Å; F380-I384 VanDerWaalsContact O-N 3.12Å
381	L	95.7	Very high	95.4	Very high	45 Å²	45	23.9 Å²	23.9	24%	0.236	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-44.4	174.7	-72	174	0	0	0	111.5	I197 A377 A383 I384 L385 F443	I197-L381 HydrophobicContact CD1-CD1 4.07Å; I197-L381 HydrophobicContact CG2-CD1 4.42Å; I197-L381 HydrophobicContact CG2-CD2 4.22Å; I197-L381 HydrophobicContact CG2-CG 4.25Å; A377-L381 WeakPolarHBondContact O-CB 3.33Å; A377-L381 WeakPolarHBondContact O-CG 3.46Å; A377-L381 PolarHBondContact O-N 3.42Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 2.92Å; L381-I384 PolarHBondContact O-N 3.43Å; L381-L385 HydrophobicContact CB-CD1 4.48Å; L381-L385 HydrophobicContact CD2-CD1 4.26Å; L381-L385 VanDerWaalsContact O-CB 3.29Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 WeakPolarHBondContact O-CG 3.15Å; L381-L385 PolarHBondContact O-N 3.26Å; L381-F443 HydrophobicContact CD1-CE2 3.84Å; L381-F443 HydrophobicContact CD1-CZ 3.7Å
382	C	96.4	Very high	95.4	Very high	13 Å²	13	27.5 Å²	27.5	9%	0.088	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-37.6	175.2	-66.8	0	0	0	0	111.9	S378 V379 W386 C389 V450	S378-C382 WeakPolarHBondContact O-CB 3.35Å; S378-C382 PolarHBondContact O-N 2.97Å; S378-C382 PolarHBondContact O-SG 2.86Å; V379-C382 PolarHBondContact O-N 3.45Å; C382-W386 WeakPolarHBondContact O-CB 3.5Å; C382-W386 PolarHBondContact O-N 2.67Å; C382-C389 HydrophobicContact CB-CB 4.3Å; C382-C389 WeakPolarHBondContact O-CB 3.31Å; C382-V450 HydrophobicContact CB-CG1 4.12Å
383	A	93.3	Very high	95.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-42.4	178.4	0	0	0	0	0	112.3	M12 R15 F16 V379 F380 L381	M12-A383 HydrophobicContact CE-CB 4.34Å; M12-A383 HydrophobicContact SD-CB 4.15Å; R15-A383 HydrophobicContact CG-CB 4.03Å; R15-A383 PolarHBondContact NE-O 2.81Å; F16-A383 HydrophobicContact CE2-CB 3.73Å; F16-A383 HydrophobicContact CZ-CB 3.63Å; V379-A383 VanDerWaalsContact O-CB 3.27Å; V379-A383 WeakPolarHBondContact O-CB 3.42Å; V379-A383 PolarHBondContact O-N 3.16Å; F380-A383 WeakPolarHBondContact O-CB 3.18Å; F380-A383 PolarHBondContact O-N 3.48Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 2.92Å
384	I	92.8	Very high	95.5	Very high	45 Å²	45	27.4 Å²	27.4	23%	0.231	13%	0.125	C	C	.	.	H	α-helix	trans	-81	-43.8	-177.9	-68.9	171.7	0	0	0	112.4	Y11 F380 L381 T469 Y470	Y11-I384 HydrophobicContact CE1-CG1 4.37Å; Y11-I384 VanDerWaalsContact OH-CG1 3.26Å; Y11-I384 WeakPolarHBondContact OH-CG1 3.39Å; F380-I384 HydrophobicContact CD1-CD1 4.03Å; F380-I384 HydrophobicContact CD2-CD1 4.22Å; F380-I384 HydrophobicContact CE1-CD1 3.5Å; F380-I384 VanDerWaalsContact CE1-CD1 3.5Å; F380-I384 HydrophobicContact CE2-CD1 3.73Å; F380-I384 HydrophobicContact CG-CD1 4.38Å; F380-I384 HydrophobicContact CZ-CD1 3.36Å; F380-I384 PolarHBondContact O-N 3Å; F380-I384 VanDerWaalsContact O-N 3.12Å; L381-I384 PolarHBondContact O-N 3.43Å; I384-T469 WeakPolarHBondContact O-CA 3.38Å; I384-T469 WeakPolarHBondContact O-CB 3.33Å; I384-Y470 PolarHBondContact O-N 3.04Å
385	L	95.5	Very high	95.5	Very high	91 Å²	91	29.6 Å²	29.6	48%	0.476	14%	0.135	S	C	.	.	H	α-helix	trans	-93.3	-21.8	-168.8	-60.5	175.4	0	0	0	113.4	L381 W471	L381-L385 HydrophobicContact CB-CD1 4.48Å; L381-L385 HydrophobicContact CD2-CD1 4.26Å; L381-L385 VanDerWaalsContact O-CB 3.29Å; L381-L385 WeakPolarHBondContact O-CB 3.4Å; L381-L385 WeakPolarHBondContact O-CG 3.15Å; L381-L385 PolarHBondContact O-N 3.26Å; L385-W471 VanDerWaalsContact O-CD1 3.31Å; L385-W471 PolarHBondContact O-NE1 3Å
386	W	95.7	Very high	95.5	Very high	73 Å²	73	34.8 Å²	34.8	28%	0.277	16%	0.158	S	C	.	.			trans	-122.9	108.7	-172.7	-168	47	0	0	0	112.3	R15 C382 R388 C389 V451 L455	R15-W386 PolarHBondContact NH2-O 2.7Å; C382-W386 WeakPolarHBondContact O-CB 3.5Å; C382-W386 PolarHBondContact O-N 2.67Å; W386-R388 HydrophobicContact CD2-CB 4.19Å; W386-R388 HydrophobicContact CH2-CB 4.41Å; W386-R388 HydrophobicContact CH2-CG 4.26Å; W386-R388 HydrophobicContact CZ2-CB 3.77Å; W386-R388 HydrophobicContact CZ2-CG 3.83Å; W386-R388 PolarHBondContact O-N 3.07Å; W386-C389 HydrophobicContact CB-CB 4.48Å; W386-C389 HydrophobicContact CD2-CB 4.41Å; W386-C389 HydrophobicContact CE3-CB 3.67Å; W386-C389 HydrophobicContact CZ3-CB 4.33Å; W386-C389 WeakPolarHBondContact O-CB 3.42Å; W386-C389 PolarHBondContact O-N 3.21Å; W386-V451 HydrophobicContact CE3-CG2 4.45Å; W386-V451 HydrophobicContact CH2-CB 4.2Å; W386-V451 HydrophobicContact CH2-CG1 4.08Å; W386-V451 HydrophobicContact CH2-CG2 4.08Å; W386-V451 HydrophobicContact CZ3-CB 4.33Å; W386-V451 HydrophobicContact CZ3-CG2 3.92Å; W386-L455 HydrophobicContact CH2-CD2 4.4Å; W386-L455 HydrophobicContact CH2-CG 4.34Å; W386-L455 HydrophobicContact CZ2-CD2 4.17Å
387	K	92.7	Very high	95.6	Very high	93 Å²	93	34.6 Å²	34.6	40%	0.404	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.7	179.6	-62.2	-169.2	-178	-165.8	0	112.5	R15 C389 L465 W471 T472	R15-K387 PolarHBondContact NH2-O 3.18Å; K387-C389 VanDerWaalsContact C-N 3.33Å; K387-C389 PolarHBondContact O-N 3.48Å; K387-L465 HydrophobicContact CB-CD2 4.34Å; K387-L465 WeakPolarHBondContact O-CD2 3.36Å; K387-W471 PolarHBondContact NZ-O 2.86Å; K387-T472 HydrophobicContact CD-CG2 4.39Å
388	R	95	Very high	95.6	Very high	63 Å²	63	34.6 Å²	34.6	24%	0.238	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.8	-177.2	-176.2	60.4	178.9	105.9	-4.6	114.4	W386 S390 S454 L455 S457 E458 S459	W386-R388 HydrophobicContact CD2-CB 4.19Å; W386-R388 HydrophobicContact CH2-CB 4.41Å; W386-R388 HydrophobicContact CH2-CG 4.26Å; W386-R388 HydrophobicContact CZ2-CB 3.77Å; W386-R388 HydrophobicContact CZ2-CG 3.83Å; W386-R388 PolarHBondContact O-N 3.07Å; R388-S390 PolarHBondContact O-N 3.03Å; R388-S454 PolarHBondContact NH1-O 3.16Å; R388-S454 PolarHBondContact NH2-O 3.39Å; R388-S454 VanDerWaalsContact NH2-O 3.1Å; R388-L455 HydrophobicContact CG-CD2 4.38Å; R388-L455 PolarHBondContact NH2-O 2.71Å; R388-S457 VanDerWaalsContact CZ-O 3.31Å; R388-S457 PolarHBondContact NH1-O 2.98Å; R388-S457 PolarHBondContact NH2-O 3.18Å; R388-E458 PolarHBondContact NH1-O 3.14Å; R388-S459 PolarHBondContact NE-OG 3.41Å
389	C	94.9	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.17	C	C	.	.			trans	-55.5	123.7	176	-167.6	0	0	0	0	110.6	R15 F16 C382 W386 K387 P460	R15-C389 PolarHBondContact NH1-O 3.03Å; R15-C389 PolarHBondContact NH2-O 2.93Å; F16-C389 HydrophobicContact CE1-CB 4.25Å; C382-C389 HydrophobicContact CB-CB 4.3Å; C382-C389 WeakPolarHBondContact O-CB 3.31Å; W386-C389 HydrophobicContact CB-CB 4.48Å; W386-C389 HydrophobicContact CD2-CB 4.41Å; W386-C389 HydrophobicContact CE3-CB 3.67Å; W386-C389 HydrophobicContact CZ3-CB 4.33Å; W386-C389 WeakPolarHBondContact O-CB 3.42Å; W386-C389 PolarHBondContact O-N 3.21Å; K387-C389 VanDerWaalsContact C-N 3.33Å; K387-C389 PolarHBondContact O-N 3.48Å; C389-P460 WeakPolarHBondContact O-CG 3.22Å
390	S	94.7	Very high	95.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	18%	0.183	C	C	.	.			trans	-105.3	161.7	-172.3	72.3	0	0	0	0	112.8	F16 R388 G393 A394 S454	F16-S390 WeakPolarHBondContact CE1-O 3.11Å; R388-S390 PolarHBondContact O-N 3.03Å; S390-G393 PolarHBondContact O-N 3.4Å; S390-G393 PolarHBondContact OG-N 2.75Å; S390-A394 WeakPolarHBondContact O-CB 3.38Å; S390-A394 PolarHBondContact O-N 3.04Å; S390-S454 PolarHBondContact N-OG 2.99Å; S390-S454 VanDerWaalsContact OG-CA 3.27Å; S390-S454 WeakPolarHBondContact OG-CA 3.33Å; S390-S454 WeakPolarHBondContact OG-CB 3.31Å; S390-S454 PolarHBondContact OG-OG 3.5Å
391	E	94.2	Very high	95.8	Very high	40 Å²	40	39.4 Å²	39.4	19%	0.187	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-48.2	174.5	-168.4	-85.5	171.1	0	0	111.7	F16 I21 G393 A394 F395	F16-E391 HydrophobicContact CB-CB 3.98Å; F16-E391 HydrophobicContact CB-CG 3.98Å; F16-E391 HydrophobicContact CD1-CB 4.49Å; F16-E391 WeakPolarHBondContact O-CB 3.3Å; I21-E391 HydrophobicContact CD1-CG 3.99Å; E391-G393 PolarHBondContact O-N 2.87Å; E391-A394 PolarHBondContact O-N 3.44Å; E391-F395 VanDerWaalsContact O-CB 3.32Å; E391-F395 WeakPolarHBondContact O-CB 3.19Å; E391-F395 PolarHBondContact O-N 3.23Å
392	K	94.9	Very high	95.9	Very high	84 Å²	84	39.6 Å²	39.6	37%	0.365	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-45.1	-179.5	-58.6	-177.3	-162.3	164.2	0	110.7	F395 F396 V453 S457 E458	K392-F395 PolarHBondContact O-N 2.7Å; K392-F396 HydrophobicContact CB-CD2 4.38Å; K392-F396 WeakPolarHBondContact O-CB 3.33Å; K392-F396 WeakPolarHBondContact O-CD2 3.31Å; K392-F396 PolarHBondContact O-N 3.44Å; K392-V453 HydrophobicContact CB-CG1 4.25Å; K392-S457 WeakPolarHBondContact CD-OG 3.43Å; K392-E458 IonicContact NZ-OE1 3.29Å; K392-E458 PolarHBondContact NZ-OE1 2.89Å
393	G	96.6	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-45.3	177.7	0	0	0	0	0	112.9	S390 E391 G397 V450	S390-G393 PolarHBondContact O-N 3.4Å; S390-G393 PolarHBondContact OG-N 2.75Å; E391-G393 PolarHBondContact O-N 2.87Å; G393-G397 PolarHBondContact O-N 3.47Å; G393-V450 WeakPolarHBondContact O-CG2 3.45Å
394	A	96.8	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-47.2	173.9	0	0	0	0	0	112.2	F16 I21 V379 S390 E391 G397 L398	F16-A394 HydrophobicContact CD1-CB 4.29Å; F16-A394 HydrophobicContact CD2-CB 4.36Å; F16-A394 HydrophobicContact CE1-CB 3.89Å; F16-A394 HydrophobicContact CE2-CB 3.98Å; F16-A394 HydrophobicContact CZ-CB 3.72Å; I21-A394 HydrophobicContact CD1-CB 3.65Å; V379-A394 HydrophobicContact CG1-CB 3.56Å; S390-A394 WeakPolarHBondContact O-CB 3.38Å; S390-A394 PolarHBondContact O-N 3.04Å; E391-A394 PolarHBondContact O-N 3.44Å; A394-G397 PolarHBondContact O-N 2.62Å; A394-L398 WeakPolarHBondContact O-CB 3.35Å; A394-L398 VanDerWaalsContact O-CG 3.28Å; A394-L398 WeakPolarHBondContact O-CG 3.32Å; A394-L398 PolarHBondContact O-N 2.88Å
395	F	96.8	Very high	96.4	Very high	46 Å²	46	42.8 Å²	42.8	20%	0.202	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-50.6	-179.4	179	-102.3	0	0	0	112.4	R20 I21 E391 K392 G397 L398 I399	R20-F395 HydrophobicContact CB-CD2 3.93Å; R20-F395 HydrophobicContact CB-CE2 3.95Å; I21-F395 HydrophobicContact CG1-CB 4.25Å; E391-F395 VanDerWaalsContact O-CB 3.32Å; E391-F395 WeakPolarHBondContact O-CB 3.19Å; E391-F395 PolarHBondContact O-N 3.23Å; K392-F395 PolarHBondContact O-N 2.7Å; F395-G397 VanDerWaalsContact C-N 3.34Å; F395-G397 PolarHBondContact O-N 3.43Å; F395-L398 PolarHBondContact O-N 3.47Å; F395-I399 HydrophobicContact CD1-CG1 4.4Å; F395-I399 HydrophobicContact CD2-CG1 4.44Å; F395-I399 HydrophobicContact CE1-CG1 3.99Å; F395-I399 HydrophobicContact CE2-CD1 4.22Å; F395-I399 HydrophobicContact CE2-CG1 4.04Å; F395-I399 HydrophobicContact CZ-CD1 4.09Å; F395-I399 HydrophobicContact CZ-CG1 3.8Å; F395-I399 WeakPolarHBondContact O-CG1 3.42Å; F395-I399 PolarHBondContact O-N 2.99Å
396	F	97.5	Very high	96.4	Very high	109 Å²	109	40.9 Å²	40.9	48%	0.478	18%	0.183	S	C	.	.	H	α-helix	trans	-66.7	-34.9	178.1	-76	-66.8	0	0	0	112.4	K392 I399 Y400 V453	K392-F396 HydrophobicContact CB-CD2 4.38Å; K392-F396 WeakPolarHBondContact O-CB 3.33Å; K392-F396 WeakPolarHBondContact O-CD2 3.31Å; K392-F396 PolarHBondContact O-N 3.44Å; F396-I399 PolarHBondContact O-N 3.06Å; F396-Y400 VanDerWaalsContact O-CB 3.27Å; F396-Y400 WeakPolarHBondContact O-CB 3.33Å; F396-Y400 PolarHBondContact O-N 3.44Å; F396-V453 HydrophobicContact CD2-CG1 4.03Å
397	G	98	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-47.2	170.6	0	0	0	0	0	112.9	G393 A394 F395 G401	G393-G397 PolarHBondContact O-N 3.47Å; A394-G397 PolarHBondContact O-N 2.62Å; F395-G397 VanDerWaalsContact C-N 3.34Å; F395-G397 PolarHBondContact O-N 3.43Å; G397-G401 PolarHBondContact O-N 3.48Å
398	L	97.5	Very high	96.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-45.4	176.4	-71.5	174.7	0	0	0	112.2	I21 Y24 L25 I376 V379 A394 F395 G401 L402	I21-L398 HydrophobicContact CG2-CD1 3.93Å; Y24-L398 HydrophobicContact CD1-CB 4.14Å; Y24-L398 HydrophobicContact CD1-CD1 3.73Å; Y24-L398 HydrophobicContact CD1-CD2 4.44Å; Y24-L398 HydrophobicContact CD1-CG 4.3Å; Y24-L398 HydrophobicContact CD2-CB 4.4Å; Y24-L398 HydrophobicContact CE1-CB 3.77Å; Y24-L398 HydrophobicContact CE1-CD1 3.93Å; Y24-L398 HydrophobicContact CE1-CD2 3.8Å; Y24-L398 HydrophobicContact CE1-CG 4.02Å; Y24-L398 HydrophobicContact CE2-CB 4Å; Y24-L398 HydrophobicContact CG-CB 4.48Å; Y24-L398 HydrophobicContact CG-CD1 4.38Å; Y24-L398 PolarHBondContact OH-O 3.47Å; Y24-L398 VanDerWaalsContact OH-O 3.13Å; L25-L398 HydrophobicContact CD2-CD1 4.43Å; I376-L398 HydrophobicContact CG1-CD2 4.24Å; V379-L398 HydrophobicContact CB-CD2 4.12Å; V379-L398 HydrophobicContact CB-CG 4.36Å; V379-L398 HydrophobicContact CG1-CD1 4.39Å; V379-L398 HydrophobicContact CG1-CG 4.35Å; V379-L398 HydrophobicContact CG2-CD2 4.01Å; V379-L398 HydrophobicContact CG2-CG 4.03Å; A394-L398 WeakPolarHBondContact O-CB 3.35Å; A394-L398 VanDerWaalsContact O-CG 3.28Å; A394-L398 WeakPolarHBondContact O-CG 3.32Å; A394-L398 PolarHBondContact O-N 2.88Å; F395-L398 PolarHBondContact O-N 3.47Å; L398-G401 PolarHBondContact O-N 2.98Å; L398-L402 WeakPolarHBondContact O-CB 3.46Å; L398-L402 PolarHBondContact O-N 3.35Å
399	I	97.7	Very high	96.4	Very high	55 Å²	55	35.7 Å²	35.7	28%	0.282	17%	0.168	S	C	.	.	H	α-helix	trans	-64.2	-44.1	178.9	-66.9	-66.8	0	0	0	111.7	Y24 F395 F396 L402 I403	Y24-I399 HydrophobicContact CD2-CD1 4.13Å; Y24-I399 HydrophobicContact CE2-CD1 4.25Å; F395-I399 HydrophobicContact CD1-CG1 4.4Å; F395-I399 HydrophobicContact CD2-CG1 4.44Å; F395-I399 HydrophobicContact CE1-CG1 3.99Å; F395-I399 HydrophobicContact CE2-CD1 4.22Å; F395-I399 HydrophobicContact CE2-CG1 4.04Å; F395-I399 HydrophobicContact CZ-CD1 4.09Å; F395-I399 HydrophobicContact CZ-CG1 3.8Å; F395-I399 WeakPolarHBondContact O-CG1 3.42Å; F395-I399 PolarHBondContact O-N 2.99Å; F396-I399 PolarHBondContact O-N 3.06Å; I399-L402 WeakPolarHBondContact O-CB 3.41Å; I399-L402 PolarHBondContact O-N 2.83Å; I399-I403 HydrophobicContact CG2-CD1 3.98Å; I399-I403 VanDerWaalsContact O-CG1 3.31Å; I399-I403 WeakPolarHBondContact O-CG1 3.3Å; I399-I403 PolarHBondContact O-N 3.07Å
400	Y	98.3	Very high	96.3	Very high	67 Å²	67	40 Å²	40	26%	0.263	19%	0.19	S	C	.	.	H	α-helix	trans	-58.3	-50.1	173.3	163.8	-99.5	0	0	0	111.4	F396 L402 I403 I404 S445 L449	F396-Y400 VanDerWaalsContact O-CB 3.27Å; F396-Y400 WeakPolarHBondContact O-CB 3.33Å; F396-Y400 PolarHBondContact O-N 3.44Å; Y400-L402 VanDerWaalsContact C-N 3.32Å; Y400-L402 PolarHBondContact O-N 3.39Å; Y400-I403 PolarHBondContact O-N 3.01Å; Y400-I404 HydrophobicContact CD1-CD1 4.47Å; Y400-I404 HydrophobicContact CD2-CG2 4.37Å; Y400-I404 HydrophobicContact CE1-CD1 3.76Å; Y400-I404 HydrophobicContact CE2-CG2 3.88Å; Y400-I404 PolarHBondContact O-N 3.02Å; Y400-S445 WeakPolarHBondContact CE1-OG 3.42Å; Y400-S445 WeakPolarHBondContact OH-CB 3.41Å; Y400-S445 PolarHBondContact OH-OG 3.08Å; Y400-L449 HydrophobicContact CD1-CD2 3.9Å; Y400-L449 HydrophobicContact CD2-CD2 4.21Å; Y400-L449 HydrophobicContact CG-CD2 3.56Å
401	G	97.7	Very high	96.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-41	177.9	0	0	0	0	0	113.3	G397 L398 I404 G405	G397-G401 PolarHBondContact O-N 3.48Å; L398-G401 PolarHBondContact O-N 2.98Å; G401-I404 WeakPolarHBondContact O-CG1 3.24Å; G401-G405 PolarHBondContact O-N 2.97Å
402	L	96.8	Very high	96.1	Very high	48 Å²	48	41.2 Å²	41.2	25%	0.251	20%	0.198	S	C	.	.	H	α-helix	trans	-59.7	-48.8	174.5	-170.3	73	0	0	0	111.1	Y24 I28 L398 I399 Y400 G405 F406	Y24-L402 HydrophobicContact CE2-CB 4.06Å; Y24-L402 HydrophobicContact CE2-CD1 4.28Å; Y24-L402 HydrophobicContact CE2-CD2 3.94Å; Y24-L402 HydrophobicContact CE2-CG 4.32Å; I28-L402 HydrophobicContact CD1-CD1 3.58Å; I28-L402 HydrophobicContact CG1-CD1 4.22Å; L398-L402 WeakPolarHBondContact O-CB 3.46Å; L398-L402 PolarHBondContact O-N 3.35Å; I399-L402 WeakPolarHBondContact O-CB 3.41Å; I399-L402 PolarHBondContact O-N 2.83Å; Y400-L402 VanDerWaalsContact C-N 3.32Å; Y400-L402 PolarHBondContact O-N 3.39Å; L402-G405 PolarHBondContact O-N 3.02Å; L402-F406 HydrophobicContact CD1-CD2 3.61Å; L402-F406 HydrophobicContact CD1-CE2 3.54Å; L402-F406 HydrophobicContact CG-CD2 3.91Å; L402-F406 HydrophobicContact CG-CE2 4.27Å; L402-F406 WeakPolarHBondContact O-CB 3.4Å; L402-F406 PolarHBondContact O-N 3.34Å
403	I	98	Very high	95.8	Very high	96 Å²	96	39 Å²	39	49%	0.492	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-50.8	-177.6	-68.9	164.2	0	0	0	110.4	I399 Y400 G405 F406 L407	I399-I403 HydrophobicContact CG2-CD1 3.98Å; I399-I403 VanDerWaalsContact O-CG1 3.31Å; I399-I403 WeakPolarHBondContact O-CG1 3.3Å; I399-I403 PolarHBondContact O-N 3.07Å; Y400-I403 PolarHBondContact O-N 3.01Å; I403-G405 VanDerWaalsContact C-N 3.32Å; I403-G405 PolarHBondContact O-N 3.05Å; I403-F406 PolarHBondContact O-N 3.36Å; I403-L407 HydrophobicContact CG2-CD1 3.83Å; I403-L407 HydrophobicContact CG2-CG 4.45Å; I403-L407 WeakPolarHBondContact O-CB 3.43Å; I403-L407 WeakPolarHBondContact O-CG 3.37Å; I403-L407 PolarHBondContact O-N 2.98Å
404	I	97.6	Very high	95.5	Very high	29 Å²	29	43.8 Å²	43.8	15%	0.149	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-37.5	179.8	65.2	171.7	0	0	0	111.9	Y400 G401 R408 F438 F441	Y400-I404 HydrophobicContact CD1-CD1 4.47Å; Y400-I404 HydrophobicContact CD2-CG2 4.37Å; Y400-I404 HydrophobicContact CE1-CD1 3.76Å; Y400-I404 HydrophobicContact CE2-CG2 3.88Å; Y400-I404 PolarHBondContact O-N 3.02Å; G401-I404 WeakPolarHBondContact O-CG1 3.24Å; I404-R408 WeakPolarHBondContact O-CB 3.37Å; I404-R408 PolarHBondContact O-N 2.93Å; I404-F438 HydrophobicContact CB-CZ 4.39Å; I404-F438 HydrophobicContact CG1-CZ 4.31Å; I404-F438 WeakPolarHBondContact O-CZ 3.31Å; I404-F441 HydrophobicContact CD1-CE1 4.2Å
405	G	96.8	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-46.3	178.8	0	0	0	0	0	112.7	Y371 G401 L402 I403 R408 M409	Y371-G405 WeakPolarHBondContact O-CA 3.43Å; G401-G405 PolarHBondContact O-N 2.97Å; L402-G405 PolarHBondContact O-N 3.02Å; I403-G405 VanDerWaalsContact C-N 3.32Å; I403-G405 PolarHBondContact O-N 3.05Å; G405-R408 PolarHBondContact O-N 3.28Å; G405-M409 VanDerWaalsContact O-CB 3.29Å; G405-M409 WeakPolarHBondContact O-CB 3.39Å; G405-M409 PolarHBondContact O-N 3.01Å
406	F	95.9	Very high	94.5	Very high	52 Å²	52	48.8 Å²	48.8	23%	0.228	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-39.9	174.7	-96.2	-92	0	0	0	112.3	I28 L31 L372 L402 I403 M409 I410	I28-F406 HydrophobicContact CD1-CE2 4.01Å; L31-F406 HydrophobicContact CD1-CZ 4.24Å; L372-F406 HydrophobicContact CD1-CE2 4.31Å; L372-F406 HydrophobicContact CD2-CD2 3.52Å; L372-F406 HydrophobicContact CD2-CE2 3.65Å; L372-F406 HydrophobicContact CD2-CG 4.35Å; L402-F406 HydrophobicContact CD1-CD2 3.61Å; L402-F406 HydrophobicContact CD1-CE2 3.54Å; L402-F406 HydrophobicContact CG-CD2 3.91Å; L402-F406 HydrophobicContact CG-CE2 4.27Å; L402-F406 WeakPolarHBondContact O-CB 3.4Å; L402-F406 PolarHBondContact O-N 3.34Å; I403-F406 PolarHBondContact O-N 3.36Å; F406-M409 HydrophobicContact CD1-CE 3.65Å; F406-M409 HydrophobicContact CE1-CE 3.41Å; F406-M409 VanDerWaalsContact CE1-CE 3.41Å; F406-M409 HydrophobicContact CG-CE 4.34Å; F406-M409 HydrophobicContact CZ-CE 3.93Å; F406-M409 PolarHBondContact O-N 2.7Å; F406-I410 HydrophobicContact CD1-CD1 4.44Å; F406-I410 WeakPolarHBondContact O-CB 3.42Å; F406-I410 VanDerWaalsContact O-CG1 3.23Å; F406-I410 WeakPolarHBondContact O-CG1 3.26Å; F406-I410 PolarHBondContact O-N 3.37Å
407	L	96.2	Very high	93.7	Very high	100 Å²	100	46 Å²	46	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-60.1	-46.7	174.4	-75	170.7	0	0	0	111.1	I403 M409 L411	I403-L407 HydrophobicContact CG2-CD1 3.83Å; I403-L407 HydrophobicContact CG2-CG 4.45Å; I403-L407 WeakPolarHBondContact O-CB 3.43Å; I403-L407 WeakPolarHBondContact O-CG 3.37Å; I403-L407 PolarHBondContact O-N 2.98Å; L407-M409 PolarHBondContact O-N 2.93Å; L407-L411 WeakPolarHBondContact O-CB 3.16Å; L407-L411 WeakPolarHBondContact O-CD1 3.49Å; L407-L411 WeakPolarHBondContact O-CG 3.26Å; L407-L411 PolarHBondContact O-N 3.06Å
408	R	95.1	Very high	92.8	Very high	13 Å²	13	47.9 Å²	47.9	5%	0.049	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-46	174.7	174.9	57.4	-177.6	-135.8	3.5	111.8	Y371 I404 G405 L411 T412 I429 I433 F438	Y371-R408 HydrophobicContact CD1-CB 4.35Å; Y371-R408 HydrophobicContact CD1-CG 3.37Å; Y371-R408 HydrophobicContact CD2-CG 4.4Å; Y371-R408 HydrophobicContact CE1-CG 3.38Å; Y371-R408 HydrophobicContact CE2-CG 4.42Å; Y371-R408 HydrophobicContact CG-CG 3.92Å; I404-R408 WeakPolarHBondContact O-CB 3.37Å; I404-R408 PolarHBondContact O-N 2.93Å; G405-R408 PolarHBondContact O-N 3.28Å; R408-L411 PolarHBondContact O-N 3.31Å; R408-T412 PolarHBondContact O-N 2.94Å; R408-T412 PolarHBondContact O-OG1 2.68Å; R408-I429 PolarHBondContact NH1-O 3.48Å; R408-I433 PolarHBondContact NH1-O 3.06Å; R408-I433 PolarHBondContact NH2-O 2.68Å; R408-F438 HydrophobicContact CB-CD2 4.2Å; R408-F438 HydrophobicContact CB-CE1 4.05Å; R408-F438 HydrophobicContact CB-CE2 3.66Å; R408-F438 HydrophobicContact CB-CZ 3.58Å; R408-F438 HydrophobicContact CG-CD1 4.13Å; R408-F438 HydrophobicContact CG-CD2 4.03Å; R408-F438 HydrophobicContact CG-CE1 4.13Å; R408-F438 HydrophobicContact CG-CE2 4.02Å; R408-F438 HydrophobicContact CG-CG 4.09Å; R408-F438 HydrophobicContact CG-CZ 4.07Å
409	M	92.8	Very high	91.8	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-49.6	-178.5	-172.6	176.3	74.8	0	0	112	F35 I368 Y371 L372 G405 F406 L407 L411 T412 F413	F35-M409 HydrophobicContact CD2-CE 4.45Å; F35-M409 HydrophobicContact CD2-SD 4.42Å; F35-M409 HydrophobicContact CE2-CE 3.97Å; F35-M409 HydrophobicContact CZ-CE 4.41Å; I368-M409 HydrophobicContact CG2-SD 4.31Å; Y371-M409 HydrophobicContact CD2-CB 4.01Å; Y371-M409 HydrophobicContact CD2-CG 4.26Å; L372-M409 HydrophobicContact CD1-CE 4.38Å; L372-M409 HydrophobicContact CD1-SD 3.89Å; L372-M409 HydrophobicContact CG-SD 4.41Å; G405-M409 VanDerWaalsContact O-CB 3.29Å; G405-M409 WeakPolarHBondContact O-CB 3.39Å; G405-M409 PolarHBondContact O-N 3.01Å; F406-M409 HydrophobicContact CD1-CE 3.65Å; F406-M409 HydrophobicContact CE1-CE 3.41Å; F406-M409 VanDerWaalsContact CE1-CE 3.41Å; F406-M409 HydrophobicContact CG-CE 4.34Å; F406-M409 HydrophobicContact CZ-CE 3.93Å; F406-M409 PolarHBondContact O-N 2.7Å; L407-M409 PolarHBondContact O-N 2.93Å; M409-L411 VanDerWaalsContact C-N 3.33Å; M409-L411 PolarHBondContact O-N 3.06Å; M409-T412 PolarHBondContact O-N 3.4Å; M409-F413 HydrophobicContact CG-CD2 3.69Å; M409-F413 HydrophobicContact CG-CE2 3.46Å; M409-F413 VanDerWaalsContact CG-CE2 3.46Å; M409-F413 WeakPolarHBondContact O-CD2 3.28Å; M409-F413 PolarHBondContact O-N 3.2Å; M409-F413 HydrophobicContact SD-CE2 4.17Å
410	I	93.1	Very high	90.8	Very high	91 Å²	91	48.6 Å²	48.6	47%	0.467	25%	0.25	S	S	.	.	H	α-helix	trans	-58.9	-46.1	176.2	-68.8	164.7	0	0	0	110.1	F406 T412 F413 V414	F406-I410 HydrophobicContact CD1-CD1 4.44Å; F406-I410 WeakPolarHBondContact O-CB 3.42Å; F406-I410 VanDerWaalsContact O-CG1 3.23Å; F406-I410 WeakPolarHBondContact O-CG1 3.26Å; F406-I410 PolarHBondContact O-N 3.37Å; I410-T412 VanDerWaalsContact C-N 3.34Å; I410-T412 PolarHBondContact O-N 3.48Å; I410-F413 PolarHBondContact O-N 2.86Å; I410-F413 VanDerWaalsContact O-N 3.16Å; I410-V414 HydrophobicContact CG2-CG2 4.11Å; I410-V414 WeakPolarHBondContact O-CB 3.39Å; I410-V414 WeakPolarHBondContact O-CG2 3.43Å; I410-V414 PolarHBondContact O-N 3.45Å
411	L	92.6	Very high	89.5	Confident	58 Å²	58	47.8 Å²	47.8	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-43.9	177	-79	173.4	0	0	0	111.9	L407 R408 M409 F413 V414 Y415 I430	L407-L411 WeakPolarHBondContact O-CB 3.16Å; L407-L411 WeakPolarHBondContact O-CD1 3.49Å; L407-L411 WeakPolarHBondContact O-CG 3.26Å; L407-L411 PolarHBondContact O-N 3.06Å; R408-L411 PolarHBondContact O-N 3.31Å; M409-L411 VanDerWaalsContact C-N 3.33Å; M409-L411 PolarHBondContact O-N 3.06Å; L411-F413 PolarHBondContact O-N 2.66Å; L411-V414 PolarHBondContact O-N 3.02Å; L411-Y415 HydrophobicContact CD2-CD2 4.07Å; L411-Y415 HydrophobicContact CD2-CE2 3.96Å; L411-Y415 WeakPolarHBondContact O-CB 3.5Å; L411-Y415 PolarHBondContact O-N 3.27Å; L411-I430 HydrophobicContact CB-CD1 3.79Å; L411-I430 HydrophobicContact CB-CG1 4.21Å; L411-I430 VanDerWaalsContact O-CD1 3.31Å; L411-I430 WeakPolarHBondContact O-CD1 3.23Å
412	T	90.6	Very high	88.7	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-33	175.8	-68.4	0	0	0	0	113.3	Y371 R408 M409 I410 Y415	Y371-T412 HydrophobicContact CE2-CG2 4.39Å; Y371-T412 PolarHBondContact OH-OG1 3Å; R408-T412 PolarHBondContact O-N 2.94Å; R408-T412 PolarHBondContact O-OG1 2.68Å; M409-T412 PolarHBondContact O-N 3.4Å; I410-T412 VanDerWaalsContact C-N 3.34Å; I410-T412 PolarHBondContact O-N 3.48Å; T412-Y415 CarbonylContact O-C 3.6Å
413	F	89.3	Confident	88	Confident	38 Å²	38	58.9 Å²	58.9	17%	0.167	31%	0.313	C	S	.	.	H	α-helix	trans	-80.5	-29.1	177.2	-75.9	-61	0	0	0	114.1	W349 I352 S356 Y364 I368 M409 I410 L411	W349-F413 HydrophobicContact CZ2-CD2 4.26Å; W349-F413 HydrophobicContact CZ2-CE1 4.31Å; W349-F413 AromaticContact CZ2-CE2 3.83Å; W349-F413 HydrophobicContact CZ2-CE2 3.83Å; W349-F413 AromaticContact CZ2-CZ 3.87Å; W349-F413 HydrophobicContact CZ2-CZ 3.87Å; I352-F413 HydrophobicContact CG2-CD1 4.03Å; I352-F413 HydrophobicContact CG2-CE1 4.3Å; S356-F413 VanDerWaalsContact OG-CD1 3.28Å; S356-F413 WeakPolarHBondContact OG-CD1 3.49Å; Y364-F413 HydrophobicContact CE2-CE1 4.08Å; Y364-F413 AromaticContact CE2-CZ 3.92Å; Y364-F413 HydrophobicContact CE2-CZ 3.92Å; I368-F413 HydrophobicContact CD1-CZ 4.08Å; I368-F413 HydrophobicContact CG1-CZ 4.49Å; M409-F413 HydrophobicContact CG-CD2 3.69Å; M409-F413 HydrophobicContact CG-CE2 3.46Å; M409-F413 VanDerWaalsContact CG-CE2 3.46Å; M409-F413 WeakPolarHBondContact O-CD2 3.28Å; M409-F413 PolarHBondContact O-N 3.2Å; M409-F413 HydrophobicContact SD-CE2 4.17Å; I410-F413 PolarHBondContact O-N 2.86Å; I410-F413 VanDerWaalsContact O-N 3.16Å; L411-F413 PolarHBondContact O-N 2.66Å
414	V	89.9	Confident	87.5	Confident	100 Å²	100	55.8 Å²	55.8	61%	0.606	30%	0.297	S	S	*	.	H	α-helix	trans	-78.8	-37.8	174.1	171.5	0	0	0	0	111.4	I410 L411	I410-V414 HydrophobicContact CG2-CG2 4.11Å; I410-V414 WeakPolarHBondContact O-CB 3.39Å; I410-V414 WeakPolarHBondContact O-CG2 3.43Å; I410-V414 PolarHBondContact O-N 3.45Å; L411-V414 PolarHBondContact O-N 3.02Å
415	Y	88.7	Confident	87.1	Confident	94 Å²	94	60.8 Å²	60.8	37%	0.369	32%	0.323	S	S	.	.	S	Bend	trans	-112.7	72.8	178.6	-62.8	-78.4	0	0	0	109.4	L411 T412 R426 P427 I430	L411-Y415 HydrophobicContact CD2-CD2 4.07Å; L411-Y415 HydrophobicContact CD2-CE2 3.96Å; L411-Y415 WeakPolarHBondContact O-CB 3.5Å; L411-Y415 PolarHBondContact O-N 3.27Å; T412-Y415 CarbonylContact O-C 3.6Å; Y415-R426 VanDerWaalsContact O-CD 3.28Å; Y415-R426 WeakPolarHBondContact O-CD 3.32Å; Y415-P427 HydrophobicContact CD2-CG 3.99Å; Y415-P427 HydrophobicContact CE2-CG 4.19Å; Y415-P427 HydrophobicContact CG-CG 4.38Å; Y415-I430 HydrophobicContact CD2-CD1 4.22Å; Y415-I430 HydrophobicContact CG-CD1 4.39Å
416	T	84.3	Confident	86.8	Confident	58 Å²	58	62.5 Å²	62.5	36%	0.356	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-58.6	156.2	179.4	54	0	0	0	0	112	R426	T416-R426 WeakPolarHBondContact O-CD 3.25Å
417	D	80.2	Confident	86.7	Confident	50 Å²	50	61.9 Å²	61.9	27%	0.267	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-55.3	128.9	170.4	-71.3	-84.9	0	0	0	110.3	Q357 R426	Q357-D417 PolarHBondContact NE2-OD2 3.24Å; D417-R426 VanDerWaalsContact CG-NH1 3.33Å; D417-R426 IonicContact OD1-CZ 2.92Å; D417-R426 IonicContact OD1-NH1 3.18Å; D417-R426 PolarHBondContact OD1-NH1 3.02Å; D417-R426 IonicContact OD1-NH2 2.69Å; D417-R426 IonicContact OD2-NH1 3.79Å
418	P	80.5	Confident	86.5	Confident	39 Å²	39	65.3 Å²	65.3	25%	0.253	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-66.7	152.5	178.8	29.4	-36.2	0	0	0	110.6	E422 D424	P418-E422 HydrophobicContact CB-CB 4.11Å; P418-D424 HydrophobicContact CG-CB 3.86Å
419	I	75.4	Confident	86.2	Confident	36 Å²	36	67.7 Å²	67.7	19%	0.185	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.1	143.6	169.5	-53.9	179.6	0	0	0	107.6	P256 R267 G421 E422	P256-I419 HydrophobicContact CB-CG2 4.42Å; R267-I419 HydrophobicContact CB-CD1 4.39Å; I419-G421 PolarHBondContact O-N 3.47Å; I419-E422 HydrophobicContact CB-CG 4.2Å; I419-E422 WeakPolarHBondContact CB-OE2 3.38Å; I419-E422 PolarHBondContact N-OE2 3.37Å; I419-E422 WeakPolarHBondContact O-CB 3.38Å; I419-E422 PolarHBondContact O-N 2.93Å
420	C	77.8	Confident	86.1	Confident	35 Å²	35	67.9 Å²	67.9	24%	0.236	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	118	179.9	-179.4	0	0	0	0	111.8	S160 C164 P256	S160-C420 PolarHBondContact O-SG 3.49Å; C164-C420 HydrophobicContact CB-CB 3.54Å; C164-C420 WeakPolarHBondContact CB-SG 3.39Å; C164-C420 WeakPolarHBondContact SG-CB 3.45Å; C164-C420 CovalentContact SG-SG 2.02Å; C164-C420 PolarHBondContact SG-SG 2.93Å; P256-C420 HydrophobicContact CG-CB 4.46Å
421	G	71.3	Confident	85.9	Confident	50 Å²	50	68.3 Å²	68.3	52%	0.515	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.5	-24.8	-175	0	0	0	0	0	114.7	S160 I419	S160-G421 WeakPolarHBondContact OG-CA 3.31Å; I419-G421 PolarHBondContact O-N 3.47Å
422	E	80.9	Confident	85.8	Confident	116 Å²	116	73.8 Å²	73.8	54%	0.542	37%	0.37	S	S	.	.	S	Bend	trans	-75.5	151.5	175.8	-62.1	177	160.8	0	0	110.9	P418 I419 D424	P418-E422 HydrophobicContact CB-CB 4.11Å; I419-E422 HydrophobicContact CB-CG 4.2Å; I419-E422 WeakPolarHBondContact CB-OE2 3.38Å; I419-E422 PolarHBondContact N-OE2 3.37Å; I419-E422 WeakPolarHBondContact O-CB 3.38Å; I419-E422 PolarHBondContact O-N 2.93Å; E422-D424 PolarHBondContact O-N 2.89Å
423	E	81.7	Confident	85.9	Confident	166 Å²	166	76 Å²	76	78%	0.776	38%	0.382	S	S	*	.			trans	-68.7	125.2	177.3	-172.2	177	179.1	0	0	110.6	I425	E423-I425 VanDerWaalsContact C-N 3.34Å; E423-I425 PolarHBondContact O-N 3.36Å
424	D	86.1	Confident	86.1	Confident	31 Å²	31	75.9 Å²	75.9	17%	0.166	38%	0.381	C	S	.	.			trans	-74.4	86.8	177.6	-175.7	-12.1	0	0	0	110.9	P418 E422 R426 K431	P418-D424 HydrophobicContact CG-CB 3.86Å; E422-D424 PolarHBondContact O-N 2.89Å; D424-R426 PolarHBondContact O-N 3.5Å; D424-R426 WeakPolarHBondContact OD1-CB 3.26Å; D424-R426 WeakPolarHBondContact OD1-CG 3.32Å; D424-R426 IonicContact OD1-CZ 2.66Å; D424-R426 PolarHBondContact OD1-N 2.92Å; D424-R426 VanDerWaalsContact OD1-N 3.13Å; D424-R426 IonicContact OD1-NE 2.7Å; D424-R426 PolarHBondContact OD1-NE 2.92Å; D424-R426 IonicContact OD1-NH2 3.96Å; D424-R426 IonicContact OD2-CZ 3.03Å; D424-R426 IonicContact OD2-NE 2.67Å; D424-R426 PolarHBondContact OD2-NE 3.46Å; D424-R426 IonicContact OD2-NH2 3.59Å; D424-R426 PolarHBondContact OD2-NH2 2.95Å; D424-K431 HydrophobicContact CB-CD 4.22Å; D424-K431 VanDerWaalsContact CG-CE 3.42Å; D424-K431 PolarHBondContact O-NZ 2.63Å; D424-K431 WeakPolarHBondContact OD2-CD 3.34Å; D424-K431 WeakPolarHBondContact OD2-CE 3.37Å; D424-K431 WeakPolarHBondContact OD2-CG 3.46Å
425	I	89.4	Confident	86.4	Confident	134 Å²	134	72 Å²	72	69%	0.687	36%	0.356	S	S	*	.			trans	-72.1	-0.8	177.5	62.1	167.5	0	0	0	114.4	E423	E423-I425 VanDerWaalsContact C-N 3.34Å; E423-I425 PolarHBondContact O-N 3.36Å
426	R	91.7	Very high	86.7	Confident	37 Å²	37	67.8 Å²	67.8	14%	0.14	34%	0.34	C	S	.	.	S	Bend	trans	-69	143.5	-171.6	-54	178.7	-67.3	180	-12	110.7	Y415 T416 D417 D424 I430 K431	Y415-R426 VanDerWaalsContact O-CD 3.28Å; Y415-R426 WeakPolarHBondContact O-CD 3.32Å; T416-R426 WeakPolarHBondContact O-CD 3.25Å; D417-R426 VanDerWaalsContact CG-NH1 3.33Å; D417-R426 IonicContact OD1-CZ 2.92Å; D417-R426 IonicContact OD1-NH1 3.18Å; D417-R426 PolarHBondContact OD1-NH1 3.02Å; D417-R426 IonicContact OD1-NH2 2.69Å; D417-R426 IonicContact OD2-NH1 3.79Å; D424-R426 PolarHBondContact O-N 3.5Å; D424-R426 WeakPolarHBondContact OD1-CB 3.26Å; D424-R426 WeakPolarHBondContact OD1-CG 3.32Å; D424-R426 IonicContact OD1-CZ 2.66Å; D424-R426 PolarHBondContact OD1-N 2.92Å; D424-R426 VanDerWaalsContact OD1-N 3.13Å; D424-R426 IonicContact OD1-NE 2.7Å; D424-R426 PolarHBondContact OD1-NE 2.92Å; D424-R426 IonicContact OD1-NH2 3.96Å; D424-R426 IonicContact OD2-CZ 3.03Å; D424-R426 IonicContact OD2-NE 2.67Å; D424-R426 PolarHBondContact OD2-NE 3.46Å; D424-R426 IonicContact OD2-NH2 3.59Å; D424-R426 PolarHBondContact OD2-NH2 2.95Å; R426-I430 HydrophobicContact CB-CB 4.49Å; R426-K431 HydrophobicContact CB-CB 4.48Å
427	P	92.6	Very high	87.3	Confident	38 Å²	38	67.6 Å²	67.6	25%	0.247	33%	0.333	C	S	.	.			trans	-59	146.4	178.6	24	-33.9	0	0	0	111.3	Y415 I429 I430 K431	Y415-P427 HydrophobicContact CD2-CG 3.99Å; Y415-P427 HydrophobicContact CE2-CG 4.19Å; Y415-P427 HydrophobicContact CG-CG 4.38Å; P427-I429 PolarHBondContact O-N 2.89Å; P427-I430 HydrophobicContact CG-CD1 3.65Å; P427-I430 HydrophobicContact CG-CG1 3.99Å; P427-I430 PolarHBondContact O-N 3.49Å; P427-K431 PolarHBondContact O-N 3.16Å; P427-K431 VanDerWaalsContact O-N 3.16Å
428	W	91.8	Very high	88.1	Confident	172 Å²	172	66.2 Å²	66.2	65%	0.652	32%	0.324	S	S	*	.	H	α-helix	trans	-49.6	-33.3	-171.7	71.4	-92.6	0	0	0	113.9	I430 K431 K432 I433	W428-I430 PolarHBondContact O-N 2.77Å; W428-K431 PolarHBondContact O-N 3.29Å; W428-K432 WeakPolarHBondContact O-CB 3.47Å; W428-K432 PolarHBondContact O-N 2.82Å; W428-I433 HydrophobicContact CZ3-CD1 4.04Å; W428-I433 HydrophobicContact CZ3-CG1 4.49Å
429	I	90.5	Very high	89	Confident	64 Å²	64	64.3 Å²	64.3	33%	0.328	31%	0.312	S	S	.	.	H	α-helix	trans	-68.9	-30.5	-178.6	-162.7	168.5	0	0	0	112.9	R408 P427 I433	R408-I429 PolarHBondContact NH1-O 3.48Å; P427-I429 PolarHBondContact O-N 2.89Å; I429-I433 HydrophobicContact CG1-CD1 3.95Å; I429-I433 WeakPolarHBondContact O-CB 3.3Å
430	I	90	Very high	90	Very high	10 Å²	10	66 Å²	66	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-80.9	-51.6	171.9	-50.2	171.8	0	0	0	109.1	L411 Y415 R426 P427 W428 K432	L411-I430 HydrophobicContact CB-CD1 3.79Å; L411-I430 HydrophobicContact CB-CG1 4.21Å; L411-I430 VanDerWaalsContact O-CD1 3.31Å; L411-I430 WeakPolarHBondContact O-CD1 3.23Å; Y415-I430 HydrophobicContact CD2-CD1 4.22Å; Y415-I430 HydrophobicContact CG-CD1 4.39Å; R426-I430 HydrophobicContact CB-CB 4.49Å; P427-I430 HydrophobicContact CG-CD1 3.65Å; P427-I430 HydrophobicContact CG-CG1 3.99Å; P427-I430 PolarHBondContact O-N 3.49Å; W428-I430 PolarHBondContact O-N 2.77Å; I430-K432 PolarHBondContact O-N 2.79Å
431	K	88.8	Confident	91	Very high	99 Å²	99	69.9 Å²	69.9	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-37.5	-172.1	-177.7	168.6	-172.8	173.8	0	114.2	D424 R426 P427 W428	D424-K431 HydrophobicContact CB-CD 4.22Å; D424-K431 VanDerWaalsContact CG-CE 3.42Å; D424-K431 PolarHBondContact O-NZ 2.63Å; D424-K431 WeakPolarHBondContact OD2-CD 3.34Å; D424-K431 WeakPolarHBondContact OD2-CE 3.37Å; D424-K431 WeakPolarHBondContact OD2-CG 3.46Å; R426-K431 HydrophobicContact CB-CB 4.48Å; P427-K431 PolarHBondContact O-N 3.16Å; P427-K431 VanDerWaalsContact O-N 3.16Å; W428-K431 PolarHBondContact O-N 3.29Å
432	K	89.7	Confident	92.2	Very high	173 Å²	173	67.5 Å²	67.5	75%	0.752	31%	0.309	S	S	*	.	S	Bend	trans	-104.5	-22.1	-176.1	-62	-171.8	175.4	-175.3	0	114.6	W428 I430	W428-K432 WeakPolarHBondContact O-CB 3.47Å; W428-K432 PolarHBondContact O-N 2.82Å; I430-K432 PolarHBondContact O-N 2.79Å
433	I	93.7	Very high	93.1	Very high	56 Å²	56	64 Å²	64	29%	0.287	29%	0.292	S	S	.	.	S	Bend	trans	-102.2	105	178.9	-47.6	-173	0	0	0	109.4	R408 W428 I429	R408-I433 PolarHBondContact NH1-O 3.06Å; R408-I433 PolarHBondContact NH2-O 2.68Å; W428-I433 HydrophobicContact CZ3-CD1 4.04Å; W428-I433 HydrophobicContact CZ3-CG1 4.49Å; I429-I433 HydrophobicContact CG1-CD1 3.95Å; I429-I433 WeakPolarHBondContact O-CB 3.3Å
434	H	94	Very high	93.9	Very high	35 Å²	35	57.4 Å²	57.4	16%	0.162	27%	0.269	C	S	.	.			trans	-56.3	143.2	172.6	-167.6	-110.8	0	0	0	111.1	P181 M436 Y437 F438	P181-H434 PolarHBondContact O-CD2 3.42Å; P181-H434 VanDerWaalsContact O-CD2 3.26Å; P181-H434 PolarHBondContact O-NE2 2.99Å; H434-M436 PolarHBondContact O-N 3.48Å; H434-M436 VanDerWaalsContact O-N 3.11Å; H434-Y437 HydrophobicContact CB-CD2 3.97Å; H434-Y437 PolarHBondContact O-N 3.15Å; H434-F438 PolarHBondContact O-N 3.28Å; H434-F438 VanDerWaalsContact O-N 3.1Å
435	Y	94.8	Very high	94.5	Very high	20 Å²	20	56.9 Å²	56.9	8%	0.078	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-29.7	-173.9	63.6	-93.2	0	0	0	113	I363 Q366 A367 A370 F438 A439	I363-Y435 HydrophobicContact CG2-CE1 4.13Å; Q366-Y435 HydrophobicContact CB-CE2 4.19Å; A367-Y435 HydrophobicContact CB-CD1 4.31Å; A367-Y435 HydrophobicContact CB-CD2 4.3Å; A367-Y435 HydrophobicContact CB-CG 4.1Å; A370-Y435 HydrophobicContact CB-CD2 3.72Å; Y435-F438 WeakPolarHBondContact O-CB 3.45Å; Y435-F438 PolarHBondContact O-N 3.09Å; Y435-A439 PolarHBondContact O-N 3.39Å
436	M	96.1	Very high	94.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-67.9	-38.5	174.7	-57.6	179.4	-179.8	0	0	112.6	M183 G187 F188 G191 H434 F438 A439 M440	M183-M436 HydrophobicContact CE-CE 4.23Å; M183-M436 HydrophobicContact SD-CE 3.77Å; G187-M436 WeakPolarHBondContact O-CB 3.44Å; F188-M436 VanDerWaalsContact CA-SD 3.56Å; F188-M436 HydrophobicContact CB-SD 3.9Å; F188-M436 HydrophobicContact CD2-CE 4.09Å; F188-M436 HydrophobicContact CD2-SD 4.28Å; G191-M436 VanDerWaalsContact CA-O 3.27Å; G191-M436 WeakPolarHBondContact CA-O 3.41Å; H434-M436 PolarHBondContact O-N 3.48Å; H434-M436 VanDerWaalsContact O-N 3.11Å; M436-F438 VanDerWaalsContact C-N 3.32Å; M436-A439 WeakPolarHBondContact O-CB 3.4Å; M436-A439 PolarHBondContact O-N 3.23Å; M436-M440 PolarHBondContact O-N 3.32Å
437	Y	97.3	Very high	95.2	Very high	55 Å²	55	51 Å²	51	22%	0.216	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-33.7	173	-72.2	-55.8	0	0	0	111.9	I178 P184 L186 G187 H434 A439 M440 F441	I178-Y437 VanDerWaalsContact CG1-OH 3.25Å; I178-Y437 WeakPolarHBondContact CG1-OH 3.14Å; I178-Y437 PolarHBondContact O-OH 3.39Å; P184-Y437 HydrophobicContact CB-CE2 3.96Å; P184-Y437 HydrophobicContact CG-CE2 3.95Å; L186-Y437 HydrophobicContact CB-CE1 4.22Å; L186-Y437 HydrophobicContact CD2-CE1 4.39Å; L186-Y437 HydrophobicContact CG-CE1 4.29Å; G187-Y437 VanDerWaalsContact CA-CE1 3.4Å; G187-Y437 VanDerWaalsContact N-CE1 3.27Å; H434-Y437 HydrophobicContact CB-CD2 3.97Å; H434-Y437 PolarHBondContact O-N 3.15Å; Y437-A439 VanDerWaalsContact C-N 3.34Å; Y437-M440 HydrophobicContact CD1-SD 4.39Å; Y437-M440 PolarHBondContact O-N 3.43Å; Y437-F441 WeakPolarHBondContact O-CB 3.21Å; Y437-F441 PolarHBondContact O-N 3.15Å
438	F	97	Very high	95.5	Very high	20 Å²	20	54.2 Å²	54.2	9%	0.088	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-42.7	168.9	178	-86.9	0	0	0	111.7	Y371 I404 R408 H434 Y435 M436 F441 S442	Y371-F438 AromaticContact CD1-CD1 3.83Å; Y371-F438 HydrophobicContact CD1-CD1 3.83Å; Y371-F438 HydrophobicContact CD1-CE1 4.16Å; Y371-F438 HydrophobicContact CE1-CD1 4.49Å; I404-F438 HydrophobicContact CB-CZ 4.39Å; I404-F438 HydrophobicContact CG1-CZ 4.31Å; I404-F438 WeakPolarHBondContact O-CZ 3.31Å; R408-F438 HydrophobicContact CB-CD2 4.2Å; R408-F438 HydrophobicContact CB-CE1 4.05Å; R408-F438 HydrophobicContact CB-CE2 3.66Å; R408-F438 HydrophobicContact CB-CZ 3.58Å; R408-F438 HydrophobicContact CG-CD1 4.13Å; R408-F438 HydrophobicContact CG-CD2 4.03Å; R408-F438 HydrophobicContact CG-CE1 4.13Å; R408-F438 HydrophobicContact CG-CE2 4.02Å; R408-F438 HydrophobicContact CG-CG 4.09Å; R408-F438 HydrophobicContact CG-CZ 4.07Å; H434-F438 PolarHBondContact O-N 3.28Å; H434-F438 VanDerWaalsContact O-N 3.1Å; Y435-F438 WeakPolarHBondContact O-CB 3.45Å; Y435-F438 PolarHBondContact O-N 3.09Å; M436-F438 VanDerWaalsContact C-N 3.32Å; F438-F441 PolarHBondContact O-N 3.16Å; F438-S442 WeakPolarHBondContact O-CB 3.38Å; F438-S442 PolarHBondContact O-N 3.25Å
439	A	98.1	Very high	95.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-42.7	176.3	0	0	0	0	0	113	G191 A370 P374 Y435 M436 Y437 S442 F443	G191-A439 WeakPolarHBondContact O-CB 3.28Å; A370-A439 HydrophobicContact CB-CB 3.86Å; P374-A439 HydrophobicContact CG-CB 3.67Å; Y435-A439 PolarHBondContact O-N 3.39Å; M436-A439 WeakPolarHBondContact O-CB 3.4Å; M436-A439 PolarHBondContact O-N 3.23Å; Y437-A439 VanDerWaalsContact C-N 3.34Å; A439-S442 PolarHBondContact O-N 3.17Å; A439-F443 VanDerWaalsContact O-CB 3.31Å; A439-F443 WeakPolarHBondContact O-CB 3.36Å; A439-F443 PolarHBondContact O-N 3.01Å
440	M	97.3	Very high	96.2	Very high	72 Å²	72	45.3 Å²	45.3	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-58.4	-47.2	173.7	175.6	-175.3	169.9	0	0	111.3	L190 M436 Y437 G444	L190-M440 HydrophobicContact CB-CB 4.32Å; L190-M440 HydrophobicContact CB-CE 4.39Å; L190-M440 HydrophobicContact CB-CG 3.83Å; L190-M440 HydrophobicContact CB-SD 3.67Å; L190-M440 HydrophobicContact CD1-CE 3.54Å; L190-M440 HydrophobicContact CD1-SD 3.79Å; L190-M440 HydrophobicContact CG-SD 4.38Å; M436-M440 PolarHBondContact O-N 3.32Å; Y437-M440 HydrophobicContact CD1-SD 4.39Å; Y437-M440 PolarHBondContact O-N 3.43Å; M440-G444 PolarHBondContact O-N 2.88Å
441	F	97.5	Very high	96.6	Very high	116 Å²	116	47.1 Å²	47.1	51%	0.509	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-52.9	175.5	169.2	-98.6	0	0	0	111.4	I404 Y437 F438 F443 G444 S445	I404-F441 HydrophobicContact CD1-CE1 4.2Å; Y437-F441 WeakPolarHBondContact O-CB 3.21Å; Y437-F441 PolarHBondContact O-N 3.15Å; F438-F441 PolarHBondContact O-N 3.16Å; F441-F443 VanDerWaalsContact C-N 3.29Å; F441-F443 PolarHBondContact O-N 3.4Å; F441-G444 PolarHBondContact O-N 3.23Å; F441-G444 VanDerWaalsContact O-N 3.15Å; F441-S445 WeakPolarHBondContact O-CB 3.27Å; F441-S445 PolarHBondContact O-N 3.2Å; F441-S445 PolarHBondContact O-OG 3.04Å
442	S	98	Very high	97	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-39.5	-178.2	-178.2	0	0	0	0	112.3	P375 F438 A439 T446	P375-S442 WeakPolarHBondContact CD-OG 3.28Å; P375-S442 WeakPolarHBondContact CG-OG 3.36Å; F438-S442 WeakPolarHBondContact O-CB 3.38Å; F438-S442 PolarHBondContact O-N 3.25Å; A439-S442 PolarHBondContact O-N 3.17Å; S442-T446 WeakPolarHBondContact O-CB 3.46Å; S442-T446 PolarHBondContact O-N 2.95Å; S442-T446 PolarHBondContact O-OG1 2.67Å
443	F	98.6	Very high	97.5	Very high	42 Å²	42	39.8 Å²	39.8	18%	0.184	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-56.6	171.9	-178.2	-106.4	0	0	0	111.9	P194 P374 A377 S378 L381 A439 F441 S445 T446 I447	P194-F443 HydrophobicContact CB-CB 4.06Å; P194-F443 HydrophobicContact CB-CD2 3.56Å; P194-F443 HydrophobicContact CB-CE2 4.12Å; P194-F443 HydrophobicContact CB-CG 3.89Å; P194-F443 HydrophobicContact CG-CB 3.76Å; P194-F443 HydrophobicContact CG-CD1 3.88Å; P194-F443 HydrophobicContact CG-CD2 3.61Å; P194-F443 HydrophobicContact CG-CE1 4.33Å; P194-F443 HydrophobicContact CG-CE2 4.09Å; P194-F443 HydrophobicContact CG-CG 3.48Å; P194-F443 VanDerWaalsContact CG-CG 3.48Å; P194-F443 HydrophobicContact CG-CZ 4.42Å; P374-F443 HydrophobicContact CB-CB 3.98Å; A377-F443 HydrophobicContact CB-CD2 4.5Å; A377-F443 HydrophobicContact CB-CE2 4.35Å; S378-F443 WeakPolarHBondContact OG-CA 3.46Å; S378-F443 WeakPolarHBondContact OG-CD2 3.33Å; S378-F443 PolarHBondContact OG-O 3.39Å; L381-F443 HydrophobicContact CD1-CE2 3.84Å; L381-F443 HydrophobicContact CD1-CZ 3.7Å; A439-F443 VanDerWaalsContact O-CB 3.31Å; A439-F443 WeakPolarHBondContact O-CB 3.36Å; A439-F443 PolarHBondContact O-N 3.01Å; F441-F443 VanDerWaalsContact C-N 3.29Å; F441-F443 PolarHBondContact O-N 3.4Å; F443-S445 PolarHBondContact O-N 3.01Å; F443-T446 PolarHBondContact O-N 3.12Å; F443-I447 HydrophobicContact CD1-CD1 4.06Å; F443-I447 HydrophobicContact CD2-CD1 4.45Å; F443-I447 HydrophobicContact CE1-CD1 3.55Å; F443-I447 HydrophobicContact CE2-CD1 3.99Å; F443-I447 HydrophobicContact CG-CD1 4.48Å; F443-I447 HydrophobicContact CZ-CD1 3.52Å; F443-I447 WeakPolarHBondContact O-CG1 3.33Å; F443-I447 PolarHBondContact O-N 2.88Å
444	G	98.3	Very high	97.6	Very high	28 Å²	28	37.1 Å²	37.1	29%	0.289	19%	0.191	S	C	.	.	H	α-helix	trans	-61.7	-46.5	-175.9	0	0	0	0	0	113.2	M440 F441 I447 I448	M440-G444 PolarHBondContact O-N 2.88Å; F441-G444 PolarHBondContact O-N 3.23Å; F441-G444 VanDerWaalsContact O-N 3.15Å; G444-I447 PolarHBondContact O-N 3.49Å; G444-I448 WeakPolarHBondContact O-CG1 3.35Å; G444-I448 PolarHBondContact O-N 3.03Å
445	S	98.4	Very high	97.8	Very high	20 Å²	20	40.2 Å²	40.2	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-67.6	-35.7	179.2	63.7	0	0	0	0	112.4	Y400 F441 F443 I448 L449	Y400-S445 WeakPolarHBondContact CE1-OG 3.42Å; Y400-S445 WeakPolarHBondContact OH-CB 3.41Å; Y400-S445 PolarHBondContact OH-OG 3.08Å; F441-S445 WeakPolarHBondContact O-CB 3.27Å; F441-S445 PolarHBondContact O-N 3.2Å; F441-S445 PolarHBondContact O-OG 3.04Å; F443-S445 PolarHBondContact O-N 3.01Å; S445-I448 PolarHBondContact O-N 3.05Å; S445-L449 PolarHBondContact O-N 3.39Å
446	T	98.6	Very high	97.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-45.5	172.4	-60	0	0	0	0	111.1	P375 V379 S442 F443 I448 L449 V450	P375-T446 HydrophobicContact CB-CG2 4.04Å; V379-T446 HydrophobicContact CG2-CG2 4.17Å; S442-T446 WeakPolarHBondContact O-CB 3.46Å; S442-T446 PolarHBondContact O-N 2.95Å; S442-T446 PolarHBondContact O-OG1 2.67Å; F443-T446 PolarHBondContact O-N 3.12Å; T446-I448 VanDerWaalsContact C-N 3.35Å; T446-I448 PolarHBondContact O-N 3.06Å; T446-L449 PolarHBondContact O-N 3.07Å; T446-V450 HydrophobicContact CG2-CG2 4.05Å; T446-V450 WeakPolarHBondContact O-CB 3.46Å; T446-V450 WeakPolarHBondContact O-CG2 3.35Å; T446-V450 PolarHBondContact O-N 3.43Å
447	I	98.5	Very high	97.8	Very high	47 Å²	47	48.7 Å²	48.7	24%	0.241	25%	0.247	C	C	.	.	H	α-helix	trans	-58.5	-46.7	175.8	-69.8	179.8	0	0	0	111	F443 G444 L449 V450 V451	F443-I447 HydrophobicContact CD1-CD1 4.06Å; F443-I447 HydrophobicContact CD2-CD1 4.45Å; F443-I447 HydrophobicContact CE1-CD1 3.55Å; F443-I447 HydrophobicContact CE2-CD1 3.99Å; F443-I447 HydrophobicContact CG-CD1 4.48Å; F443-I447 HydrophobicContact CZ-CD1 3.52Å; F443-I447 WeakPolarHBondContact O-CG1 3.33Å; F443-I447 PolarHBondContact O-N 2.88Å; G444-I447 PolarHBondContact O-N 3.49Å; I447-L449 VanDerWaalsContact C-N 3.35Å; I447-L449 PolarHBondContact O-N 2.93Å; I447-V450 PolarHBondContact O-N 3.39Å; I447-V451 HydrophobicContact CG2-CG2 4.29Å; I447-V451 WeakPolarHBondContact O-CB 3.49Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.37Å; I447-V451 PolarHBondContact O-N 3.07Å
448	I	98.6	Very high	97.5	Very high	105 Å²	105	52.8 Å²	52.8	54%	0.538	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-47.4	178.8	-69	164.2	0	0	0	110.8	G444 S445 T446 V451 I452	G444-I448 WeakPolarHBondContact O-CG1 3.35Å; G444-I448 PolarHBondContact O-N 3.03Å; S445-I448 PolarHBondContact O-N 3.05Å; T446-I448 VanDerWaalsContact C-N 3.35Å; T446-I448 PolarHBondContact O-N 3.06Å; I448-V451 PolarHBondContact O-N 2.87Å; I448-I452 HydrophobicContact CG2-CD1 3.7Å; I448-I452 HydrophobicContact CG2-CG1 4.48Å; I448-I452 VanDerWaalsContact O-CG1 3.3Å; I448-I452 WeakPolarHBondContact O-CG1 3.48Å; I448-I452 PolarHBondContact O-N 3.01Å
449	L	98.4	Very high	97.2	Very high	49 Å²	49	55.6 Å²	55.6	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-43.5	178.5	-174.8	64.5	0	0	0	112.4	Y400 S445 T446 I447 V451 I452 V453	Y400-L449 HydrophobicContact CD1-CD2 3.9Å; Y400-L449 HydrophobicContact CD2-CD2 4.21Å; Y400-L449 HydrophobicContact CG-CD2 3.56Å; S445-L449 PolarHBondContact O-N 3.39Å; T446-L449 PolarHBondContact O-N 3.07Å; I447-L449 VanDerWaalsContact C-N 3.35Å; I447-L449 PolarHBondContact O-N 2.93Å; L449-V451 VanDerWaalsContact C-N 3.3Å; L449-V451 PolarHBondContact O-N 3.14Å; L449-I452 PolarHBondContact O-N 3.45Å; L449-V453 HydrophobicContact CD1-CG2 3.9Å; L449-V453 HydrophobicContact CG-CG2 4.32Å; L449-V453 WeakPolarHBondContact O-CB 3.27Å; L449-V453 WeakPolarHBondContact O-CG2 3.4Å; L449-V453 PolarHBondContact O-N 2.92Å
450	V	98.4	Very high	96.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-41.2	176.4	170.6	0	0	0	0	111	V379 C382 G393 T446 I447 S454	V379-V450 HydrophobicContact CG2-CG2 3.65Å; C382-V450 HydrophobicContact CB-CG1 4.12Å; G393-V450 WeakPolarHBondContact O-CG2 3.45Å; T446-V450 HydrophobicContact CG2-CG2 4.05Å; T446-V450 WeakPolarHBondContact O-CB 3.46Å; T446-V450 WeakPolarHBondContact O-CG2 3.35Å; T446-V450 PolarHBondContact O-N 3.43Å; I447-V450 PolarHBondContact O-N 3.39Å; V450-S454 WeakPolarHBondContact O-CB 3.39Å; V450-S454 PolarHBondContact O-N 3.49Å; V450-S454 PolarHBondContact O-OG 3.13Å
451	V	98.4	Very high	96.5	Very high	49 Å²	49	56.3 Å²	56.3	30%	0.297	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-54	176.9	169.5	0	0	0	0	110.7	W386 I447 I448 L449 V453 S454 L455	W386-V451 HydrophobicContact CE3-CG2 4.45Å; W386-V451 HydrophobicContact CH2-CB 4.2Å; W386-V451 HydrophobicContact CH2-CG1 4.08Å; W386-V451 HydrophobicContact CH2-CG2 4.08Å; W386-V451 HydrophobicContact CZ3-CB 4.33Å; W386-V451 HydrophobicContact CZ3-CG2 3.92Å; I447-V451 HydrophobicContact CG2-CG2 4.29Å; I447-V451 WeakPolarHBondContact O-CB 3.49Å; I447-V451 VanDerWaalsContact O-CG2 3.31Å; I447-V451 WeakPolarHBondContact O-CG2 3.37Å; I447-V451 PolarHBondContact O-N 3.07Å; I448-V451 PolarHBondContact O-N 2.87Å; L449-V451 VanDerWaalsContact C-N 3.3Å; L449-V451 PolarHBondContact O-N 3.14Å; V451-V453 PolarHBondContact O-N 3.49Å; V451-S454 PolarHBondContact O-N 2.93Å; V451-L455 HydrophobicContact CG1-CD1 3.98Å; V451-L455 HydrophobicContact CG1-CG 4.48Å; V451-L455 WeakPolarHBondContact O-CG 3.34Å; V451-L455 PolarHBondContact O-N 3.4Å
452	I	98.3	Very high	95.9	Very high	84 Å²	84	57 Å²	57	43%	0.431	30%	0.304	S	S	.	.	H	α-helix	trans	-55.5	-57.7	-179.6	-69.2	167.5	0	0	0	110.3	I448 L449 S454 L455 F456	I448-I452 HydrophobicContact CG2-CD1 3.7Å; I448-I452 HydrophobicContact CG2-CG1 4.48Å; I448-I452 VanDerWaalsContact O-CG1 3.3Å; I448-I452 WeakPolarHBondContact O-CG1 3.48Å; I448-I452 PolarHBondContact O-N 3.01Å; L449-I452 PolarHBondContact O-N 3.45Å; I452-S454 VanDerWaalsContact C-N 3.26Å; I452-S454 PolarHBondContact O-N 3.41Å; I452-L455 PolarHBondContact O-N 2.94Å; I452-L455 VanDerWaalsContact O-N 3.13Å; I452-F456 HydrophobicContact CG2-CD2 4.05Å; I452-F456 HydrophobicContact CG2-CE2 4.11Å; I452-F456 VanDerWaalsContact O-CD2 3.24Å; I452-F456 WeakPolarHBondContact O-CD2 3.4Å; I452-F456 PolarHBondContact O-N 3.22Å
453	V	98.2	Very high	95	Very high	33 Å²	33	59.3 Å²	59.3	20%	0.2	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-32.2	-176.7	177.1	0	0	0	0	111.4	K392 F396 L449 V451 S457	K392-V453 HydrophobicContact CB-CG1 4.25Å; F396-V453 HydrophobicContact CD2-CG1 4.03Å; L449-V453 HydrophobicContact CD1-CG2 3.9Å; L449-V453 HydrophobicContact CG-CG2 4.32Å; L449-V453 WeakPolarHBondContact O-CB 3.27Å; L449-V453 WeakPolarHBondContact O-CG2 3.4Å; L449-V453 PolarHBondContact O-N 2.92Å; V451-V453 PolarHBondContact O-N 3.49Å; V453-S457 WeakPolarHBondContact O-CB 3.29Å; V453-S457 PolarHBondContact O-N 3.36Å
454	S	97.8	Very high	94.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-39.2	174.4	-63.8	0	0	0	0	113.1	R388 S390 V450 V451 I452 F456 S457	R388-S454 PolarHBondContact NH1-O 3.16Å; R388-S454 PolarHBondContact NH2-O 3.39Å; R388-S454 VanDerWaalsContact NH2-O 3.1Å; S390-S454 PolarHBondContact N-OG 2.99Å; S390-S454 VanDerWaalsContact OG-CA 3.27Å; S390-S454 WeakPolarHBondContact OG-CA 3.33Å; S390-S454 WeakPolarHBondContact OG-CB 3.31Å; S390-S454 PolarHBondContact OG-OG 3.5Å; V450-S454 WeakPolarHBondContact O-CB 3.39Å; V450-S454 PolarHBondContact O-N 3.49Å; V450-S454 PolarHBondContact O-OG 3.13Å; V451-S454 PolarHBondContact O-N 2.93Å; I452-S454 VanDerWaalsContact C-N 3.26Å; I452-S454 PolarHBondContact O-N 3.41Å; S454-F456 VanDerWaalsContact C-N 3.28Å; S454-F456 PolarHBondContact O-N 3.04Å; S454-S457 PolarHBondContact O-N 3.46Å
455	L	97	Very high	93.8	Very high	100 Å²	100	58.8 Å²	58.8	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-35.5	177.2	-69.3	173.5	0	0	0	112.1	W386 R388 V451 I452	W386-L455 HydrophobicContact CH2-CD2 4.4Å; W386-L455 HydrophobicContact CH2-CG 4.34Å; W386-L455 HydrophobicContact CZ2-CD2 4.17Å; R388-L455 HydrophobicContact CG-CD2 4.38Å; R388-L455 PolarHBondContact NH2-O 2.71Å; V451-L455 HydrophobicContact CG1-CD1 3.98Å; V451-L455 HydrophobicContact CG1-CG 4.48Å; V451-L455 WeakPolarHBondContact O-CG 3.34Å; V451-L455 PolarHBondContact O-N 3.4Å; I452-L455 PolarHBondContact O-N 2.94Å; I452-L455 VanDerWaalsContact O-N 3.13Å
456	F	96.4	Very high	93	Very high	188 Å²	188	59.5 Å²	59.5	83%	0.825	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.1	175.5	-67.1	-70.3	0	0	0	115.1	I452 S454	I452-F456 HydrophobicContact CG2-CD2 4.05Å; I452-F456 HydrophobicContact CG2-CE2 4.11Å; I452-F456 VanDerWaalsContact O-CD2 3.24Å; I452-F456 WeakPolarHBondContact O-CD2 3.4Å; I452-F456 PolarHBondContact O-N 3.22Å; S454-F456 VanDerWaalsContact C-N 3.28Å; S454-F456 PolarHBondContact O-N 3.04Å
457	S	93.8	Very high	92.3	Very high	14 Å²	14	62.6 Å²	62.6	10%	0.098	32%	0.323	C	S	.	.	S	Bend	trans	-100.6	160.7	176.4	177.9	0	0	0	0	111.5	R388 K392 V453 S454	R388-S457 VanDerWaalsContact CZ-O 3.31Å; R388-S457 PolarHBondContact NH1-O 2.98Å; R388-S457 PolarHBondContact NH2-O 3.18Å; K392-S457 WeakPolarHBondContact CD-OG 3.43Å; V453-S457 WeakPolarHBondContact O-CB 3.29Å; V453-S457 PolarHBondContact O-N 3.36Å; S454-S457 PolarHBondContact O-N 3.46Å
458	E	92	Very high	91.7	Very high	141 Å²	141	60.8 Å²	60.8	66%	0.659	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-48.4	145.6	167.8	-67.8	146.4	-107	0	0	112.4	R388 K392	R388-E458 PolarHBondContact NH1-O 3.14Å; K392-E458 IonicContact NZ-OE1 3.29Å; K392-E458 PolarHBondContact NZ-OE1 2.89Å
459	S	90.7	Very high	91.3	Very high	79 Å²	79	56 Å²	56	55%	0.552	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-75.1	143.9	175.9	-68.2	0	0	0	0	111.2	R388	R388-S459 PolarHBondContact NE-OG 3.41Å
460	P	91	Very high	90.9	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.123	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.6	146.3	174.1	-25.1	35.1	0	0	0	113	C389 Q464 L465	C389-P460 WeakPolarHBondContact O-CG 3.22Å; P460-Q464 VanDerWaalsContact CA-OE1 3.25Å; P460-Q464 HydrophobicContact CB-CB 4.22Å; P460-L465 HydrophobicContact CB-CD1 4.5Å; P460-L465 HydrophobicContact CB-CD2 4.08Å; P460-L465 HydrophobicContact CB-CG 4.15Å
461	T	89.2	Confident	90.4	Very high	69 Å²	69	67.9 Å²	67.9	42%	0.423	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-72.1	159.9	174.6	62	0	0	0	0	111.3	S463 Q464 L465	T461-S463 PolarHBondContact O-N 2.95Å; T461-S463 PolarHBondContact OG1-OG 2.64Å; T461-Q464 WeakPolarHBondContact O-CB 3.18Å; T461-Q464 PolarHBondContact O-N 3.23Å; T461-Q464 VanDerWaalsContact OG1-CG 3.29Å; T461-Q464 WeakPolarHBondContact OG1-CG 3.42Å; T461-Q464 PolarHBondContact OG1-N 3.35Å; T461-L465 PolarHBondContact O-N 3.35Å
462	Q	84.7	Confident	89.9	Confident	129 Å²	129	65.7 Å²	65.7	60%	0.603	32%	0.319	S	S	*	.	H	α-helix	trans	-59.9	-36.2	176	-65.1	-61.9	-9.9	0	0	112.2	Q464 L465 Y466	Q462-Q464 PolarHBondContact O-N 2.84Å; Q462-L465 PolarHBondContact O-N 3.29Å; Q462-Y466 PolarHBondContact O-N 3.35Å
463	S	80.1	Confident	89.1	Confident	49 Å²	49	62.2 Å²	62.2	34%	0.343	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-26	173.3	53.3	0	0	0	0	114.4	T461	T461-S463 PolarHBondContact O-N 2.95Å; T461-S463 PolarHBondContact OG1-OG 2.64Å
464	Q	85	Confident	88.3	Confident	42 Å²	42	68.2 Å²	68.2	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-84.9	-13.3	174.2	-73.1	170.2	-14.8	0	0	113.4	R15 F16 P460 T461 Q462 L468	R15-Q464 WeakPolarHBondContact CD-O 3.34Å; F16-Q464 PolarHBondContact O-NE2 3.39Å; F16-Q464 VanDerWaalsContact O-NE2 3.09Å; P460-Q464 VanDerWaalsContact CA-OE1 3.25Å; P460-Q464 HydrophobicContact CB-CB 4.22Å; T461-Q464 WeakPolarHBondContact O-CB 3.18Å; T461-Q464 PolarHBondContact O-N 3.23Å; T461-Q464 VanDerWaalsContact OG1-CG 3.29Å; T461-Q464 WeakPolarHBondContact OG1-CG 3.42Å; T461-Q464 PolarHBondContact OG1-N 3.35Å; Q462-Q464 PolarHBondContact O-N 2.84Å; Q464-L468 VanDerWaalsContact O-CD1 3.27Å; Q464-L468 WeakPolarHBondContact O-CD1 3.33Å
465	L	85.9	Confident	87.4	Confident	17 Å²	17	71.3 Å²	71.3	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-104.4	-30.7	-178.9	-64.6	177.6	0	0	0	112.8	K387 P460 T461 Q462 R467 L468 T469 T472	K387-L465 HydrophobicContact CB-CD2 4.34Å; K387-L465 WeakPolarHBondContact O-CD2 3.36Å; P460-L465 HydrophobicContact CB-CD1 4.5Å; P460-L465 HydrophobicContact CB-CD2 4.08Å; P460-L465 HydrophobicContact CB-CG 4.15Å; T461-L465 PolarHBondContact O-N 3.35Å; Q462-L465 PolarHBondContact O-N 3.29Å; L465-R467 PolarHBondContact O-N 3.45Å; L465-R467 VanDerWaalsContact O-N 3.07Å; L465-L468 PolarHBondContact O-N 3.23Å; L465-T469 HydrophobicContact CD2-CG2 4.02Å; L465-T472 VanDerWaalsContact O-CB 3.29Å; L465-T472 WeakPolarHBondContact O-CB 3.38Å; L465-T472 PolarHBondContact O-OG1 3.37Å
466	Y	83	Confident	85.8	Confident	35 Å²	35	71.3 Å²	71.3	14%	0.137	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	112.1	-176.3	-179.1	-114.9	0	0	0	112.2	Q462 L468 D475 K478 F481	Q462-Y466 PolarHBondContact O-N 3.35Å; Y466-L468 WeakPolarHBondContact O-CG 3.42Å; Y466-L468 PolarHBondContact O-N 3.27Å; Y466-D475 HydrophobicContact CD2-CB 3.85Å; Y466-D475 HydrophobicContact CE2-CB 3.82Å; Y466-D475 WeakPolarHBondContact CE2-O 3.33Å; Y466-K478 VanDerWaalsContact OH-CA 3.31Å; Y466-K478 WeakPolarHBondContact OH-CA 3.15Å; Y466-K478 WeakPolarHBondContact OH-CB 3.26Å; Y466-K478 PolarHBondContact OH-N 2.89Å; Y466-K478 VanDerWaalsContact OH-N 3.11Å; Y466-F481 HydrophobicContact CD1-CB 4.34Å; Y466-F481 AromaticContact CD1-CD2 3.61Å; Y466-F481 HydrophobicContact CD1-CD2 3.61Å; Y466-F481 HydrophobicContact CD1-CE2 4.1Å; Y466-F481 HydrophobicContact CD1-CG 4.04Å; Y466-F481 HydrophobicContact CE1-CB 4.33Å; Y466-F481 HydrophobicContact CE1-CD2 4.3Å; Y466-F481 HydrophobicContact CE1-CG 4.29Å; Y466-F481 HydrophobicContact CG-CD2 4.02Å
467	R	82.1	Confident	83.8	Confident	66 Å²	66	66.5 Å²	66.5	25%	0.249	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	18.4	-179.8	-49.4	177.9	82.9	-156.6	16.3	115.7	L2 L465 T472 D475	L2-R467 HydrophobicContact CB-CB 4.03Å; L2-R467 HydrophobicContact CD1-CB 4.27Å; L2-R467 WeakPolarHBondContact CD1-O 3.32Å; L2-R467 PolarHBondContact O-NH1 3.3Å; L465-R467 PolarHBondContact O-N 3.45Å; L465-R467 VanDerWaalsContact O-N 3.07Å; R467-T472 WeakPolarHBondContact CA-O 3.12Å; R467-T472 PolarHBondContact N-O 3.09Å; R467-D475 WeakPolarHBondContact CD-O 3.29Å; R467-D475 HydrophobicContact CG-CB 4.33Å
468	L	87.1	Confident	81.9	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.042	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-10.3	-176.7	-77.3	156.4	0	0	0	114.2	I3 Y11 K14 R15 Q464 L465 Y466	I3-L468 HydrophobicContact CD1-CD1 3.93Å; I3-L468 HydrophobicContact CD1-CD2 3.47Å; I3-L468 VanDerWaalsContact CD1-CD2 3.47Å; I3-L468 HydrophobicContact CD1-CG 3.51Å; Y11-L468 HydrophobicContact CD2-CD2 3.71Å; Y11-L468 HydrophobicContact CE2-CD2 3.62Å; Y11-L468 WeakPolarHBondContact CE2-O 3.48Å; Y11-L468 PolarHBondContact OH-O 2.92Å; K14-L468 HydrophobicContact CB-CD1 4.19Å; K14-L468 HydrophobicContact CB-CD2 3.99Å; K14-L468 WeakPolarHBondContact O-CD1 3.42Å; R15-L468 HydrophobicContact CB-CD2 4.3Å; Q464-L468 VanDerWaalsContact O-CD1 3.27Å; Q464-L468 WeakPolarHBondContact O-CD1 3.33Å; L465-L468 PolarHBondContact O-N 3.23Å; Y466-L468 WeakPolarHBondContact O-CG 3.42Å; Y466-L468 PolarHBondContact O-N 3.27Å
469	T	90	Very high	79.8	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.031	35%	0.348	C	S	.	.	S	Bend	trans	-118.6	159.2	174.9	79.1	0	0	0	0	110.1	I384 L465 W471 T472 A473	I384-T469 WeakPolarHBondContact O-CA 3.38Å; I384-T469 WeakPolarHBondContact O-CB 3.33Å; L465-T469 HydrophobicContact CD2-CG2 4.02Å; T469-W471 PolarHBondContact O-N 3.37Å; T469-W471 PolarHBondContact OG1-N 2.99Å; T469-T472 WeakPolarHBondContact CB-OG1 3.13Å; T469-T472 PolarHBondContact N-OG1 3.07Å; T469-T472 PolarHBondContact O-N 2.95Å; T469-T472 VanDerWaalsContact O-N 3.09Å; T469-T472 PolarHBondContact O-OG1 3.09Å; T469-T472 WeakPolarHBondContact OG1-CG2 3.25Å; T469-T472 PolarHBondContact OG1-N 3.46Å; T469-T472 PolarHBondContact OG1-OG1 3.47Å; T469-A473 PolarHBondContact O-N 2.95Å
470	Y	88.9	Confident	77.8	Confident	144 Å²	144	71 Å²	71	57%	0.565	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-53.3	-39.7	175	-178.6	-96.9	0	0	0	111.8	I384 T472	I384-Y470 PolarHBondContact O-N 3.04Å; Y470-T472 VanDerWaalsContact C-N 3.35Å; Y470-T472 PolarHBondContact O-N 3.45Å
471	W	89.7	Confident	75.9	Confident	154 Å²	154	72.3 Å²	72.3	58%	0.583	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-82.7	-1.2	-177.8	-50.9	109.2	0	0	0	115.5	L385 K387 T469	L385-W471 VanDerWaalsContact O-CD1 3.31Å; L385-W471 PolarHBondContact O-NE1 3Å; K387-W471 PolarHBondContact NZ-O 2.86Å; T469-W471 PolarHBondContact O-N 3.37Å; T469-W471 PolarHBondContact OG1-N 2.99Å
472	T	86.3	Confident	74	Confident	4 Å²	4	71.9 Å²	71.9	3%	0.025	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-125.4	0.9	177.1	52.4	0	0	0	0	112.1	K387 L465 R467 T469 Y470 W474 D475	K387-T472 HydrophobicContact CD-CG2 4.39Å; L465-T472 VanDerWaalsContact O-CB 3.29Å; L465-T472 WeakPolarHBondContact O-CB 3.38Å; L465-T472 PolarHBondContact O-OG1 3.37Å; R467-T472 WeakPolarHBondContact CA-O 3.12Å; R467-T472 PolarHBondContact N-O 3.09Å; T469-T472 WeakPolarHBondContact CB-OG1 3.13Å; T469-T472 PolarHBondContact N-OG1 3.07Å; T469-T472 PolarHBondContact O-N 2.95Å; T469-T472 VanDerWaalsContact O-N 3.09Å; T469-T472 PolarHBondContact O-OG1 3.09Å; T469-T472 WeakPolarHBondContact OG1-CG2 3.25Å; T469-T472 PolarHBondContact OG1-N 3.46Å; T469-T472 PolarHBondContact OG1-OG1 3.47Å; Y470-T472 VanDerWaalsContact C-N 3.35Å; Y470-T472 PolarHBondContact O-N 3.45Å; T472-W474 PolarHBondContact O-N 2.73Å; T472-W474 VanDerWaalsContact O-N 3.13Å; T472-D475 WeakPolarHBondContact CA-OD1 3.36Å; T472-D475 WeakPolarHBondContact CA-OD2 3.28Å; T472-D475 WeakPolarHBondContact CB-OD2 3.28Å; T472-D475 VanDerWaalsContact CG2-OD2 3.29Å; T472-D475 WeakPolarHBondContact CG2-OD2 3.17Å; T472-D475 WeakPolarHBondContact O-CB 3.47Å; T472-D475 PolarHBondContact O-N 3.28Å
473	A	83	Confident	72.1	Confident	11 Å²	11	71.9 Å²	71.9	9%	0.091	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.3	-173.6	0	0	0	0	0	114.1	L2 T469 L574	L2-A473 HydrophobicContact CD1-CB 3.78Å; T469-A473 PolarHBondContact O-N 2.95Å; A473-L574 HydrophobicContact CB-CD1 4.37Å; A473-L574 WeakPolarHBondContact O-CD1 3.25Å
474	W	79.9	Confident	70.2	Confident	159 Å²	159	75 Å²	75	60%	0.602	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	3.9	179.7	-87.5	-89.4	0	0	0	114.7	T472 S476 L574	T472-W474 PolarHBondContact O-N 2.73Å; T472-W474 VanDerWaalsContact O-N 3.13Å; W474-S476 PolarHBondContact O-N 3.13Å; W474-S476 VanDerWaalsContact O-N 3.17Å; W474-L574 HydrophobicContact CD2-CD1 3.66Å; W474-L574 VanDerWaalsContact CE2-CD1 3.47Å; W474-L574 HydrophobicContact CE3-CD1 4.02Å; W474-L574 HydrophobicContact CG-CD1 4.17Å; W474-L574 HydrophobicContact CH2-CD1 4.03Å; W474-L574 HydrophobicContact CZ2-CB 3.88Å; W474-L574 HydrophobicContact CZ2-CD1 3.68Å; W474-L574 HydrophobicContact CZ2-CG 4.39Å; W474-L574 HydrophobicContact CZ3-CD1 4.19Å
475	D	78.8	Confident	68.2	Low	65 Å²	65	78.1 Å²	78.1	35%	0.348	36%	0.363	S	S	.	.			trans	-58.5	122	178.5	-62.8	-4.6	0	0	0	109.9	Y466 R467 T472	Y466-D475 HydrophobicContact CD2-CB 3.85Å; Y466-D475 HydrophobicContact CE2-CB 3.82Å; Y466-D475 WeakPolarHBondContact CE2-O 3.33Å; R467-D475 WeakPolarHBondContact CD-O 3.29Å; R467-D475 HydrophobicContact CG-CB 4.33Å; T472-D475 WeakPolarHBondContact CA-OD1 3.36Å; T472-D475 WeakPolarHBondContact CA-OD2 3.28Å; T472-D475 WeakPolarHBondContact CB-OD2 3.28Å; T472-D475 VanDerWaalsContact CG2-OD2 3.29Å; T472-D475 WeakPolarHBondContact CG2-OD2 3.17Å; T472-D475 WeakPolarHBondContact O-CB 3.47Å; T472-D475 PolarHBondContact O-N 3.28Å
476	S	64	Low	65.8	Low	99 Å²	99	83.8 Å²	83.8	69%	0.692	39%	0.393	S	S	*	.			trans	-89.6	-22.6	-171.1	49.2	0	0	0	0	114.3	W474 K478	W474-S476 PolarHBondContact O-N 3.13Å; W474-S476 VanDerWaalsContact O-N 3.17Å; S476-K478 VanDerWaalsContact C-N 3.27Å; S476-K478 PolarHBondContact O-N 3.26Å
477	N	54.4	Low	63.4	Low	88 Å²	88	88 Å²	88	47%	0.471	41%	0.414	S	S	.	.			trans	-79.1	72.2	-166.8	-71.6	19.1	0	0	0	112.4	E479 D480 F481	N477-E479 PolarHBondContact O-N 3.5Å; N477-D480 HydrophobicContact CB-CB 4.13Å; N477-D480 WeakPolarHBondContact CB-OD2 3.5Å; N477-D480 PolarHBondContact ND2-OD2 3.28Å; N477-D480 PolarHBondContact O-N 3.23Å; N477-F481 PolarHBondContact O-N 3.29Å
478	K	53.9	Low	61	Low	119 Å²	119	89.9 Å²	89.9	52%	0.517	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-29.7	166.6	-156.5	-164	169.8	-148.9	0	111.1	Y466 S476 F481 D482	Y466-K478 VanDerWaalsContact OH-CA 3.31Å; Y466-K478 WeakPolarHBondContact OH-CA 3.15Å; Y466-K478 WeakPolarHBondContact OH-CB 3.26Å; Y466-K478 PolarHBondContact OH-N 2.89Å; Y466-K478 VanDerWaalsContact OH-N 3.11Å; S476-K478 VanDerWaalsContact C-N 3.27Å; S476-K478 PolarHBondContact O-N 3.26Å; K478-F481 WeakPolarHBondContact O-CB 3.23Å; K478-F481 PolarHBondContact O-N 2.73Å; K478-D482 VanDerWaalsContact CE-OD2 3.3Å; K478-D482 WeakPolarHBondContact CE-OD2 3.11Å; K478-D482 IonicContact NZ-OD2 3.7Å; K478-D482 PolarHBondContact NZ-OD2 3.21Å; K478-D482 WeakPolarHBondContact O-CB 3.42Å; K478-D482 PolarHBondContact O-N 3.04Å
479	E	48.7	Very low	58.4	Low	132 Å²	132	94.5 Å²	94.5	62%	0.617	47%	0.467	S	S	*	.	H	α-helix	trans	-64.4	-40.2	176.3	-72.8	-167.3	-163.4	0	0	113.7	N477 F481 D482 K483	N477-E479 PolarHBondContact O-N 3.5Å; E479-F481 VanDerWaalsContact C-N 3.28Å; E479-F481 PolarHBondContact O-N 2.94Å; E479-D482 PolarHBondContact O-N 3.4Å; E479-K483 WeakPolarHBondContact O-CB 3.32Å; E479-K483 WeakPolarHBondContact O-CD 3.25Å; E479-K483 WeakPolarHBondContact O-CG 3.37Å; E479-K483 PolarHBondContact O-N 3.38Å; E479-K483 IonicContact OE2-NZ 3.82Å; E479-K483 PolarHBondContact OE2-NZ 2.7Å
480	D	49.2	Very low	55.4	Low	76 Å²	76	100.1 Å²	100.1	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-35.3	174.3	-73.5	-37.3	0	0	0	111	N477 Q484	N477-D480 HydrophobicContact CB-CB 4.13Å; N477-D480 WeakPolarHBondContact CB-OD2 3.5Å; N477-D480 PolarHBondContact ND2-OD2 3.28Å; N477-D480 PolarHBondContact O-N 3.23Å; D480-Q484 VanDerWaalsContact O-CB 3.28Å; D480-Q484 WeakPolarHBondContact O-CB 3.47Å; D480-Q484 VanDerWaalsContact O-CG 3.22Å; D480-Q484 WeakPolarHBondContact O-CG 3.42Å; D480-Q484 PolarHBondContact O-N 3.17Å
481	F	50.2	Low	52.3	Low	48 Å²	48	97.8 Å²	97.8	21%	0.211	50%	0.501	C	S	.	.	H	α-helix	trans	-64.7	-49.8	174.8	-179.5	-83.8	0	0	0	111.7	Y466 N477 K478 E479 Q484 M485	Y466-F481 HydrophobicContact CD1-CB 4.34Å; Y466-F481 AromaticContact CD1-CD2 3.61Å; Y466-F481 HydrophobicContact CD1-CD2 3.61Å; Y466-F481 HydrophobicContact CD1-CE2 4.1Å; Y466-F481 HydrophobicContact CD1-CG 4.04Å; Y466-F481 HydrophobicContact CE1-CB 4.33Å; Y466-F481 HydrophobicContact CE1-CD2 4.3Å; Y466-F481 HydrophobicContact CE1-CG 4.29Å; Y466-F481 HydrophobicContact CG-CD2 4.02Å; N477-F481 PolarHBondContact O-N 3.29Å; K478-F481 WeakPolarHBondContact O-CB 3.23Å; K478-F481 PolarHBondContact O-N 2.73Å; E479-F481 VanDerWaalsContact C-N 3.28Å; E479-F481 PolarHBondContact O-N 2.94Å; F481-Q484 PolarHBondContact O-N 3.18Å; F481-M485 HydrophobicContact CE1-CE 4.12Å; F481-M485 HydrophobicContact CE1-SD 3.69Å; F481-M485 HydrophobicContact CZ-CE 3.78Å; F481-M485 HydrophobicContact CZ-SD 4Å; F481-M485 PolarHBondContact O-N 3.16Å
482	D	48.9	Very low	49.4	Very low	59 Å²	59	97.1 Å²	97.1	32%	0.316	51%	0.508	S	S	.	.	H	α-helix	trans	-68.6	-36.9	179.7	-67.4	-21.7	0	0	0	110.6	K478 E479 M485 N486	K478-D482 VanDerWaalsContact CE-OD2 3.3Å; K478-D482 WeakPolarHBondContact CE-OD2 3.11Å; K478-D482 IonicContact NZ-OD2 3.7Å; K478-D482 PolarHBondContact NZ-OD2 3.21Å; K478-D482 WeakPolarHBondContact O-CB 3.42Å; K478-D482 PolarHBondContact O-N 3.04Å; E479-D482 PolarHBondContact O-N 3.4Å; D482-M485 PolarHBondContact O-N 2.95Å; D482-N486 WeakPolarHBondContact O-CB 3.47Å; D482-N486 VanDerWaalsContact O-CG 3.29Å; D482-N486 PolarHBondContact O-N 3.29Å; D482-N486 PolarHBondContact O-ND2 3.25Å
483	K	44.8	Very low	46.4	Very low	129 Å²	129	103 Å²	103	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-64.7	-39.2	171.8	-75.9	165.2	179.9	154.2	0	112.6	E479	E479-K483 WeakPolarHBondContact O-CB 3.32Å; E479-K483 WeakPolarHBondContact O-CD 3.25Å; E479-K483 WeakPolarHBondContact O-CG 3.37Å; E479-K483 PolarHBondContact O-N 3.38Å; E479-K483 IonicContact OE2-NZ 3.82Å; E479-K483 PolarHBondContact OE2-NZ 2.7Å
484	Q	40.9	Very low	43.6	Very low	114 Å²	114	108 Å²	108	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-71.8	-33.4	175.4	-76.7	177.4	15.5	0	0	112.8	D480 F481	D480-Q484 VanDerWaalsContact O-CB 3.28Å; D480-Q484 WeakPolarHBondContact O-CB 3.47Å; D480-Q484 VanDerWaalsContact O-CG 3.22Å; D480-Q484 WeakPolarHBondContact O-CG 3.42Å; D480-Q484 PolarHBondContact O-N 3.17Å; F481-Q484 PolarHBondContact O-N 3.18Å
485	M	42.1	Very low	40.8	Very low	109 Å²	109	107.6 Å²	107.6	54%	0.537	58%	0.577	S	S	.	*	H	α-helix	trans	-72	-34.2	175.1	-99.6	-171.9	176.6	0	0	113.1	F481 D482 H487	F481-M485 HydrophobicContact CE1-CE 4.12Å; F481-M485 HydrophobicContact CE1-SD 3.69Å; F481-M485 HydrophobicContact CZ-CE 3.78Å; F481-M485 HydrophobicContact CZ-SD 4Å; F481-M485 PolarHBondContact O-N 3.16Å; D482-M485 PolarHBondContact O-N 2.95Å; M485-H487 PolarHBondContact O-N 3.47Å; M485-H487 VanDerWaalsContact O-N 3.12Å
486	N	36.9	Very low	38.1	Very low	135 Å²	135	111.5 Å²	111.5	72%	0.722	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	12.8	178.6	-71.6	-25.1	0	0	0	114.1	D482	D482-N486 WeakPolarHBondContact O-CB 3.47Å; D482-N486 VanDerWaalsContact O-CG 3.29Å; D482-N486 PolarHBondContact O-N 3.29Å; D482-N486 PolarHBondContact O-ND2 3.25Å
487	H	31	Very low	36.1	Very low	124 Å²	124	114.3 Å²	114.3	57%	0.574	60%	0.599	S	S	*	*	S	Bend	trans	-71	128.8	173.5	-138.8	-91.6	0	0	0	110.1	M485 S489 L490	M485-H487 PolarHBondContact O-N 3.47Å; M485-H487 VanDerWaalsContact O-N 3.12Å; H487-S489 PolarHBondContact O-N 2.91Å; H487-L490 PolarHBondContact O-N 3.11Å
488	P	33.1	Very low	34.6	Very low	106 Å²	106	116.1 Å²	116.1	69%	0.688	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-59.5	-20.1	-164	-28.1	34.8	0	0	0	116.5	L490	P488-L490 PolarHBondContact O-N 2.94Å
489	S	32	Very low	33.2	Very low	104 Å²	104	116.1 Å²	116.1	73%	0.727	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-73.7	-3.4	-179.3	52.5	0	0	0	0	114.9	H487	H487-S489 PolarHBondContact O-N 2.91Å
490	L	27.2	Very low	32.1	Very low	124 Å²	124	117 Å²	117	65%	0.649	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-127.3	25.6	-179.8	-138.4	80.4	0	0	0	114.6	H487 P488 I492	H487-L490 PolarHBondContact O-N 3.11Å; P488-L490 PolarHBondContact O-N 2.94Å; L490-I492 PolarHBondContact O-N 3.37Å
491	S	24.5	Very low	30.9	Very low	94 Å²	94	120.4 Å²	120.4	66%	0.657	64%	0.64	S	S	*	*			trans	-69.1	71.5	171.7	64.1	0	0	0	0	111.9	N493	S491-N493 PolarHBondContact O-N 2.89Å
492	I	27.2	Very low	29.7	Very low	141 Å²	141	124 Å²	124	72%	0.723	67%	0.665	S	S	*	*			trans	-69.6	117.9	162.2	-64.7	177.1	0	0	0	106.5	L490 C494	L490-I492 PolarHBondContact O-N 3.37Å; I492-C494 VanDerWaalsContact C-N 3.26Å; I492-C494 PolarHBondContact O-N 3.38Å
493	N	23	Very low	28.5	Very low	127 Å²	127	125.7 Å²	125.7	68%	0.679	67%	0.674	S	S	*	*			trans	-59.4	81.1	179.6	-74.1	-6.1	0	0	0	112.6	S491 Q495	S491-N493 PolarHBondContact O-N 2.89Å; N493-Q495 PolarHBondContact O-N 3.43Å
494	C	24.6	Very low	27.4	Very low	115 Å²	115	121 Å²	121	78%	0.777	66%	0.656	S	S	*	*			trans	-86.9	49.6	148.8	-86.3	0	0	0	0	109.5	I492 L496	I492-C494 VanDerWaalsContact C-N 3.26Å; I492-C494 PolarHBondContact O-N 3.38Å; C494-L496 PolarHBondContact O-N 2.98Å
495	Q	21.7	Very low	26.7	Very low	151 Å²	151	117.4 Å²	117.4	71%	0.706	64%	0.642	S	S	*	*			trans	-65.3	88.5	148	-79.2	168	-45.4	0	0	105.8	N493 H497	N493-Q495 PolarHBondContact O-N 3.43Å; Q495-H497 PolarHBondContact O-N 3.29Å
496	L	22.9	Very low	25.9	Very low	147 Å²	147	116.7 Å²	116.7	77%	0.77	64%	0.637	S	S	*	*			trans	-58.4	109.2	163.9	-146.4	88.9	0	0	0	104.9	C494 I498	C494-L496 PolarHBondContact O-N 2.98Å; L496-I498 VanDerWaalsContact C-N 3.27Å; L496-I498 PolarHBondContact O-N 2.97Å
497	H	20.5	Very low	25.3	Very low	158 Å²	158	115.8 Å²	115.8	73%	0.731	63%	0.629	S	S	*	*			trans	-65.1	97.5	171.2	-120.3	-98.8	0	0	0	106.3	Q495 D499	Q495-H497 PolarHBondContact O-N 3.29Å; H497-D499 IonicContact CG-OD1 3Å; H497-D499 IonicContact ND1-OD1 2.82Å; H497-D499 PolarHBondContact ND1-OD1 3.21Å; H497-D499 PolarHBondContact O-N 3.23Å
498	I	23.6	Very low	25	Very low	126 Å²	126	116.6 Å²	116.6	65%	0.646	64%	0.638	S	S	*	*			trans	-75.8	86.9	166.9	-60.4	168.8	0	0	0	104	L496 D500	L496-I498 VanDerWaalsContact C-N 3.27Å; L496-I498 PolarHBondContact O-N 2.97Å; I498-D500 PolarHBondContact O-N 3.37Å; I498-D500 VanDerWaalsContact O-N 3.16Å
499	D	24	Very low	24.5	Very low	120 Å²	120	121 Å²	121	64%	0.642	65%	0.649	S	S	*	*			trans	-69.8	108.8	169.1	-71.5	-20	0	0	0	106.6	H497 N501	H497-D499 IonicContact CG-OD1 3Å; H497-D499 IonicContact ND1-OD1 2.82Å; H497-D499 PolarHBondContact ND1-OD1 3.21Å; H497-D499 PolarHBondContact O-N 3.23Å; D499-N501 PolarHBondContact O-N 3.34Å
500	D	25	Very low	24.1	Very low	151 Å²	151	120.6 Å²	120.6	81%	0.807	65%	0.646	S	S	*	*	S	Bend	trans	-62.7	13.4	-171.4	-74.8	-47.4	0	0	0	115.7	I498	I498-D500 PolarHBondContact O-N 3.37Å; I498-D500 VanDerWaalsContact O-N 3.16Å
501	N	23.9	Very low	23.9	Very low	146 Å²	146	123.9 Å²	123.9	78%	0.781	66%	0.655	S	S	*	*			trans	-123.2	97.1	178.3	-74.5	-53.3	0	0	0	109.7	D499	D499-N501 PolarHBondContact O-N 3.34Å
502	V	25.3	Very low	23.8	Very low	123 Å²	123	124.3 Å²	124.3	75%	0.745	66%	0.658	S	S	*	*			trans	173.6	112.5	142.5	146.7	0	0	0	0	111.6
503	L	23.4	Very low	23.6	Very low	95 Å²	95	124.6 Å²	124.6	50%	0.497	66%	0.661	S	S	.	*			trans	64.7	150	138.4	-77.5	71.4	0	0	0	120.3	C549	L503-C549 CarbonylContact C-O 3.58Å; L503-C549 WeakPolarHBondContact CA-O 3.08Å; L503-C549 HydrophobicContact CB-CB 4.08Å; L503-C549 WeakPolarHBondContact CB-O 3.18Å; L503-C549 HydrophobicContact CD2-CB 3.97Å; L503-C549 WeakPolarHBondContact CD2-O 3.28Å; L503-C549 HydrophobicContact CG-CB 4.36Å; L503-C549 WeakPolarHBondContact CG-O 3.49Å
504	T	22.4	Very low	23.5	Very low	30 Å²	30	129.2 Å²	129.2	18%	0.184	67%	0.671	C	S	.	*	B	Isolated β-bridge	trans	-176.7	126.9	-148.7	119.1	0	0	0	0	107.5	C549 S550 K551 I552	T504-C549 PolarHBondContact N-O 2.82Å; T504-C549 CarbonylContact O-C 3.54Å; T504-C549 WeakPolarHBondContact O-CA 2.98Å; T504-S550 CarbonylContact O-C 3.41Å; T504-S550 VanDerWaalsContact O-CA 3.29Å; T504-S550 WeakPolarHBondContact O-CA 3.49Å; T504-S550 PolarHBondContact O-N 3.25Å; T504-K551 PolarHBondContact O-N 3.1Å; T504-K551 VanDerWaalsContact OG1-C 3.23Å; T504-K551 WeakPolarHBondContact OG1-CA 3.45Å; T504-K551 PolarHBondContact OG1-N 3.44Å; T504-I552 VanDerWaalsContact C-CB 3.43Å; T504-I552 HydrophobicContact CG2-CB 3.72Å; T504-I552 HydrophobicContact CG2-CG2 3.74Å; T504-I552 PolarHBondContact O-N 2.8Å; T504-I552 WeakPolarHBondContact OG1-CA 3.45Å; T504-I552 PolarHBondContact OG1-N 3.47Å; T504-I552 PolarHBondContact OG1-O 3.44Å
505	V	25.8	Very low	23.6	Very low	39 Å²	39	130.6 Å²	130.6	24%	0.236	68%	0.675	C	S	.	*			trans	-95.6	126.7	-176.9	-177.1	0	0	0	0	119.6	E507 K548 C549 I552	V505-E507 HydrophobicContact CG1-CG 4.19Å; V505-K548 VanDerWaalsContact CA-O 3.29Å; V505-K548 WeakPolarHBondContact CA-O 3.35Å; V505-K548 HydrophobicContact CG1-CB 4.3Å; V505-K548 HydrophobicContact CG1-CD 4.42Å; V505-K548 HydrophobicContact CG1-CG 4.37Å; V505-C549 HydrophobicContact CG2-CB 3.94Å; V505-C549 WeakPolarHBondContact CG2-SG 3.08Å; V505-I552 HydrophobicContact CB-CD1 4.17Å; V505-I552 HydrophobicContact CB-CG1 3.95Å; V505-I552 WeakPolarHBondContact O-CA 3.27Å; V505-I552 WeakPolarHBondContact O-CB 3.16Å; V505-I552 WeakPolarHBondContact O-CG1 3.36Å; V505-I552 PolarHBondContact O-N 3.44Å
506	Q	26.5	Very low	23.7	Very low	95 Å²	95	128.2 Å²	128.2	44%	0.444	68%	0.675	S	S	.	*			trans	-114.5	115.7	158.1	-103.7	178.7	0.3	0	0	114.8	K551	Q506-K551 HydrophobicContact CB-CB 4.17Å; Q506-K551 WeakPolarHBondContact CB-O 3.02Å; Q506-K551 WeakPolarHBondContact CG-O 3.04Å; Q506-K551 PolarHBondContact OE1-O 3.34Å
507	E	24.3	Very low	23.7	Very low	115 Å²	115	129.5 Å²	129.5	54%	0.537	68%	0.677	S	S	.	*			trans	-97.2	144.1	157.3	-64.1	179.1	141.5	0	0	108.2	V505 K548	V505-E507 HydrophobicContact CG1-CG 4.19Å; E507-K548 HydrophobicContact CG-CD 4.21Å; E507-K548 IonicContact OE1-NZ 3.82Å; E507-K548 PolarHBondContact OE1-NZ 3.37Å
508	N	24.1	Very low	24	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	68%	0.681	S	S	*	*			trans	-153.1	119.9	151.5	-100.7	-21.8	0	0	0	108.8
509	E	23.2	Very low	24	Very low	197 Å²	197	130.5 Å²	130.5	92%	0.921	69%	0.688	S	S	*	*			trans	-77.3	114.3	166.1	-59.9	171.6	127.1	0	0	108.5
510	S	22.5	Very low	24.2	Very low	97 Å²	97	130 Å²	130	68%	0.678	69%	0.69	S	S	*	*			trans	-171.1	128	149.5	58.3	0	0	0	0	112.9
511	K	23.7	Very low	24.1	Very low	193 Å²	193	129.6 Å²	129.6	84%	0.839	69%	0.688	S	S	*	*			trans	64.1	113	149.1	-63.6	175.1	179.1	-179.9	0	117.7	D513	K511-D513 PolarHBondContact O-N 3.37Å
512	S	21.7	Very low	24.4	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	69%	0.69	S	S	*	*			trans	-4.7	117.8	137.2	53.1	0	0	0	0	116
513	D	23.9	Very low	24.7	Very low	147 Å²	147	131.3 Å²	131.3	79%	0.786	69%	0.691	S	S	*	*				-161.1	156	118.3	-94.5	-30.6	0	0	0	111.2	K511	K511-D513 PolarHBondContact O-N 3.37Å
514	Y	21.4	Very low	24.9	Very low	225 Å²	225	136.1 Å²	136.1	88%	0.882	71%	0.708	S	S	*	*			trans	-56.8	127.3	-172.2	-67.6	-106	0	0	0	114.4
515	V	25.5	Very low	25.5	Very low	144 Å²	144	139.8 Å²	139.8	87%	0.873	73%	0.732	S	S	*	*			trans	-138.2	126.7	144.9	-177.6	0	0	0	0	110.5
516	S	23.3	Very low	26	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	76%	0.757	S	S	*	*			trans	-17.7	140.6	167	-168.6	0	0	0	0	118.6
517	E	24.5	Very low	26.9	Very low	175 Å²	175	146.7 Å²	146.7	82%	0.818	77%	0.77	S	S	*	*			trans	-31.3	133.1	148.2	-62.2	161	157.9	0	0	112.9
518	L	26.1	Very low	27.9	Very low	154 Å²	154	145.6 Å²	145.6	81%	0.806	78%	0.775	S	S	*	*			trans	-135	93.5	155.3	-169.8	73.8	0	0	0	108.5	T520	L518-T520 PolarHBondContact O-N 2.85Å; L518-T520 VanDerWaalsContact O-N 3.13Å
519	D	23.4	Very low	29	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	76%	0.761	S	S	*	*			trans	-60.8	110.7	173.6	-84.9	-44.7	0	0	0	111.2
520	T	27.8	Very low	30.5	Very low	110 Å²	110	139.4 Å²	139.4	68%	0.675	75%	0.745	S	S	*	*			trans	-119.2	85.8	162.5	48.9	0	0	0	0	110.5	L518 I522	L518-T520 PolarHBondContact O-N 2.85Å; L518-T520 VanDerWaalsContact O-N 3.13Å; T520-I522 PolarHBondContact O-N 3.02Å
521	N	23.9	Very low	32.3	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	74%	0.743	S	S	*	*			trans	0.7	86.7	156.1	-77.1	-67.6	0	0	0	115.4	N523	N521-N523 VanDerWaalsContact C-N 3.28Å; N521-N523 PolarHBondContact O-N 2.85Å
522	I	30.3	Very low	34	Very low	162 Å²	162	138.9 Å²	138.9	83%	0.831	73%	0.731	S	S	*	*			trans	-72.4	92.6	166.1	-60.7	-179.5	0	0	0	107.3	T520 K524	T520-I522 PolarHBondContact O-N 3.02Å; I522-K524 PolarHBondContact O-N 3.34Å
523	N	30.2	Very low	35.5	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-47.2	123	173	-78.6	-61.3	0	0	0	110.3	N521	N521-N523 VanDerWaalsContact C-N 3.28Å; N521-N523 PolarHBondContact O-N 2.85Å
524	K	28.5	Very low	37.1	Very low	197 Å²	197	132.5 Å²	132.5	86%	0.857	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-48.3	125.6	179	-72.7	177.5	176.3	175.3	0	109.9	I522 K526	I522-K524 PolarHBondContact O-N 3.34Å; K524-K526 PolarHBondContact O-N 3.46Å
525	P	34.1	Very low	38.7	Very low	106 Å²	106	124 Å²	124	69%	0.688	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-67.5	123.1	-167.5	24.7	-33.7	0	0	0	111.4
526	K	36.6	Very low	40.2	Very low	175 Å²	175	119.2 Å²	119.2	76%	0.761	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-65.3	142.9	170.9	-68	-179.1	177.7	178.7	0	109.8	K524 S528 H529	K524-K526 PolarHBondContact O-N 3.46Å; K526-S528 PolarHBondContact O-N 3.45Å; K526-H529 PolarHBondContact O-N 3.37Å
527	S	45.3	Very low	41.9	Very low	104 Å²	104	120.5 Å²	120.5	73%	0.727	62%	0.622	S	S	*	*	H	α-helix	trans	-54.2	-29.5	-169.9	54.6	0	0	0	0	115.4	H529 L530 F531	S527-H529 PolarHBondContact O-N 2.99Å; S527-L530 WeakPolarHBondContact O-CB 3.48Å; S527-L530 PolarHBondContact O-N 3.43Å; S527-F531 PolarHBondContact O-N 3.36Å
528	S	46.4	Very low	43.2	Very low	92 Å²	92	116 Å²	116	64%	0.643	60%	0.603	S	S	*	*	H	α-helix	trans	-60.3	-29.8	176.5	58.3	0	0	0	0	113.5	K526 K532	K526-S528 PolarHBondContact O-N 3.45Å; S528-K532 PolarHBondContact O-N 2.94Å
529	H	47.4	Very low	44.7	Very low	100 Å²	100	110.2 Å²	110.2	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-77.9	-22.4	175.8	-150	-64.2	0	0	0	112.5	K526 S527 S533	K526-H529 PolarHBondContact O-N 3.37Å; S527-H529 PolarHBondContact O-N 2.99Å; H529-S533 PolarHBondContact ND1-OG 3.08Å; H529-S533 VanDerWaalsContact O-CB 3.32Å; H529-S533 WeakPolarHBondContact O-CB 3.33Å; H529-S533 PolarHBondContact O-N 3.38Å; H529-S533 PolarHBondContact O-OG 2.64Å
530	L	54.3	Low	46	Very low	109 Å²	109	104.3 Å²	104.3	57%	0.571	55%	0.55	S	S	*	*	H	α-helix	trans	-67.5	-49	175.2	-153.1	87.1	0	0	0	110.1	S527 K532 S533 I534	S527-L530 WeakPolarHBondContact O-CB 3.48Å; S527-L530 PolarHBondContact O-N 3.43Å; L530-K532 VanDerWaalsContact C-N 3.34Å; L530-K532 PolarHBondContact O-N 3.25Å; L530-S533 PolarHBondContact O-N 3.26Å; L530-I534 HydrophobicContact CD2-CD1 4.11Å; L530-I534 HydrophobicContact CG-CD1 4.07Å; L530-I534 WeakPolarHBondContact O-CB 3.49Å; L530-I534 WeakPolarHBondContact O-CD1 3.3Å; L530-I534 VanDerWaalsContact O-CG1 3.22Å; L530-I534 WeakPolarHBondContact O-CG1 3.48Å; L530-I534 PolarHBondContact O-N 3.16Å
531	F	60.7	Low	47.3	Very low	148 Å²	148	101.4 Å²	101.4	65%	0.649	53%	0.53	S	S	*	.	H	α-helix	trans	-59.6	-44.5	175.1	-173	-99.2	0	0	0	111.4	S527 I534 C535	S527-F531 PolarHBondContact O-N 3.36Å; F531-I534 PolarHBondContact O-N 3.03Å; F531-C535 WeakPolarHBondContact CE1-SG 3.13Å; F531-C535 WeakPolarHBondContact O-CB 3.38Å; F531-C535 PolarHBondContact O-N 3.4Å; F531-C535 PolarHBondContact O-SG 3.08Å; F531-C535 VanDerWaalsContact O-SG 3.35Å
532	K	58.2	Low	48.3	Very low	132 Å²	132	96.8 Å²	96.8	57%	0.574	52%	0.516	S	S	*	.	H	α-helix	trans	-63.7	-43.2	177.7	-159.8	177.9	-175.7	-177.2	0	112.5	S528 L530 C535 L536	S528-K532 PolarHBondContact O-N 2.94Å; L530-K532 VanDerWaalsContact C-N 3.34Å; L530-K532 PolarHBondContact O-N 3.25Å; K532-C535 PolarHBondContact O-N 2.99Å; K532-L536 HydrophobicContact CG-CD1 4.24Å; K532-L536 WeakPolarHBondContact O-CB 3.42Å; K532-L536 WeakPolarHBondContact O-CD1 3.29Å; K532-L536 WeakPolarHBondContact O-CG 3.37Å; K532-L536 PolarHBondContact O-N 3.02Å
533	S	54.6	Low	48.8	Very low	35 Å²	35	93.9 Å²	93.9	25%	0.245	50%	0.502	C	S	.	.	H	α-helix	trans	-62.7	-40.9	173.4	-73.9	0	0	0	0	112.4	H529 L530 L536 W537 N543	H529-S533 PolarHBondContact ND1-OG 3.08Å; H529-S533 VanDerWaalsContact O-CB 3.32Å; H529-S533 WeakPolarHBondContact O-CB 3.33Å; H529-S533 PolarHBondContact O-N 3.38Å; H529-S533 PolarHBondContact O-OG 2.64Å; L530-S533 PolarHBondContact O-N 3.26Å; S533-L536 PolarHBondContact O-N 2.95Å; S533-W537 VanDerWaalsContact O-CB 3.22Å; S533-W537 WeakPolarHBondContact O-CB 3.37Å; S533-W537 PolarHBondContact O-N 3.41Å; S533-N543 PolarHBondContact OG-ND2 2.78Å; S533-N543 VanDerWaalsContact OG-ND2 3.11Å
534	I	56.2	Low	49	Very low	80 Å²	80	91.2 Å²	91.2	41%	0.41	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-44	176.5	-72.1	163.8	0	0	0	110.3	L530 F531 W537 L538	L530-I534 HydrophobicContact CD2-CD1 4.11Å; L530-I534 HydrophobicContact CG-CD1 4.07Å; L530-I534 WeakPolarHBondContact O-CB 3.49Å; L530-I534 WeakPolarHBondContact O-CD1 3.3Å; L530-I534 VanDerWaalsContact O-CG1 3.22Å; L530-I534 WeakPolarHBondContact O-CG1 3.48Å; L530-I534 PolarHBondContact O-N 3.16Å; F531-I534 PolarHBondContact O-N 3.03Å; I534-W537 PolarHBondContact O-N 2.96Å; I534-L538 HydrophobicContact CG2-CD1 3.69Å; I534-L538 HydrophobicContact CG2-CG 4.43Å; I534-L538 VanDerWaalsContact O-CB 3.23Å; I534-L538 WeakPolarHBondContact O-CB 3.33Å; I534-L538 VanDerWaalsContact O-CG 3.28Å; I534-L538 WeakPolarHBondContact O-CG 3.39Å; I534-L538 PolarHBondContact O-N 2.79Å
535	C	55.4	Low	49.2	Very low	46 Å²	46	86.5 Å²	86.5	31%	0.311	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-44.2	173.8	-71.3	0	0	0	0	112.6	F531 K532 L538 C539	F531-C535 WeakPolarHBondContact CE1-SG 3.13Å; F531-C535 WeakPolarHBondContact O-CB 3.38Å; F531-C535 PolarHBondContact O-N 3.4Å; F531-C535 PolarHBondContact O-SG 3.08Å; F531-C535 VanDerWaalsContact O-SG 3.35Å; K532-C535 PolarHBondContact O-N 2.99Å; C535-L538 CarbonylContact O-C 3.57Å; C535-L538 PolarHBondContact O-N 3.2Å; C535-C539 WeakPolarHBondContact O-CB 3.23Å; C535-C539 PolarHBondContact O-N 3.05Å; C535-C539 PolarHBondContact O-SG 2.98Å
536	L	57.1	Low	49.2	Very low	44 Å²	44	85 Å²	85	23%	0.23	48%	0.476	C	S	.	.	H	α-helix	trans	-60.5	-47.6	176.6	-73.2	165.6	0	0	0	110.7	K532 S533 C539 G540 L541	K532-L536 HydrophobicContact CG-CD1 4.24Å; K532-L536 WeakPolarHBondContact O-CB 3.42Å; K532-L536 WeakPolarHBondContact O-CD1 3.29Å; K532-L536 WeakPolarHBondContact O-CG 3.37Å; K532-L536 PolarHBondContact O-N 3.02Å; S533-L536 PolarHBondContact O-N 2.95Å; L536-C539 CarbonylContact O-C 3.49Å; L536-C539 WeakPolarHBondContact O-CA 3.37Å; L536-C539 WeakPolarHBondContact O-CB 3.38Å; L536-C539 PolarHBondContact O-N 3.47Å; L536-G540 PolarHBondContact O-N 2.95Å; L536-L541 CarbonylContact C-O 3.1Å; L536-L541 VanDerWaalsContact C-O 3.27Å; L536-L541 HydrophobicContact CB-CB 4.04Å; L536-L541 HydrophobicContact CD2-CB 3.91Å; L536-L541 HydrophobicContact CD2-CD1 3.52Å; L536-L541 HydrophobicContact CD2-CG 4.35Å; L536-L541 CarbonylContact O-C 3.55Å; L536-L541 WeakPolarHBondContact O-CA 3.45Å; L536-L541 WeakPolarHBondContact O-CB 3.34Å; L536-L541 PolarHBondContact O-N 3.01Å
537	W	59	Low	49	Very low	126 Å²	126	81.7 Å²	81.7	48%	0.477	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-42.7	175.4	-176	87	0	0	0	112.6	V73 T74 R336 S533 I534 C539 G540	V73-W537 HydrophobicContact CG1-CD2 4.2Å; V73-W537 HydrophobicContact CG1-CE3 3.73Å; V73-W537 HydrophobicContact CG1-CH2 4.15Å; V73-W537 HydrophobicContact CG1-CZ3 3.69Å; T74-W537 HydrophobicContact CG2-CH2 3.75Å; T74-W537 HydrophobicContact CG2-CZ2 3.23Å; R336-W537 PolarHBondContact NH1-O 3.05Å; S533-W537 VanDerWaalsContact O-CB 3.22Å; S533-W537 WeakPolarHBondContact O-CB 3.37Å; S533-W537 PolarHBondContact O-N 3.41Å; I534-W537 PolarHBondContact O-N 2.96Å; W537-C539 PolarHBondContact O-N 3.27Å; W537-G540 WeakPolarHBondContact O-CA 3.42Å; W537-G540 PolarHBondContact O-N 3.33Å
538	L	52.9	Low	48.4	Very low	81 Å²	81	82.4 Å²	82.4	42%	0.424	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-23.5	170.2	-80.4	164.5	0	0	0	113.3	V73 R336 I534 C535	V73-L538 HydrophobicContact CG1-CD2 4.26Å; V73-L538 HydrophobicContact CG2-CD2 4.05Å; R336-L538 VanDerWaalsContact CD-O 3.3Å; R336-L538 WeakPolarHBondContact CD-O 3.27Å; R336-L538 VanDerWaalsContact NH1-C 3.29Å; R336-L538 PolarHBondContact NH1-O 3.46Å; I534-L538 HydrophobicContact CG2-CD1 3.69Å; I534-L538 HydrophobicContact CG2-CG 4.43Å; I534-L538 VanDerWaalsContact O-CB 3.23Å; I534-L538 WeakPolarHBondContact O-CB 3.33Å; I534-L538 VanDerWaalsContact O-CG 3.28Å; I534-L538 WeakPolarHBondContact O-CG 3.39Å; I534-L538 PolarHBondContact O-N 2.79Å; C535-L538 CarbonylContact O-C 3.57Å; C535-L538 PolarHBondContact O-N 3.2Å
539	C	56.5	Low	47.9	Very low	33 Å²	33	79.4 Å²	79.4	22%	0.223	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.9	170.5	-65.1	0	0	0	0	113.3	I333 C535 L536 W537 L541	I333-C539 HydrophobicContact CG1-CB 4.02Å; C535-C539 WeakPolarHBondContact O-CB 3.23Å; C535-C539 PolarHBondContact O-N 3.05Å; C535-C539 PolarHBondContact O-SG 2.98Å; L536-C539 CarbonylContact O-C 3.49Å; L536-C539 WeakPolarHBondContact O-CA 3.37Å; L536-C539 WeakPolarHBondContact O-CB 3.38Å; L536-C539 PolarHBondContact O-N 3.47Å; W537-C539 PolarHBondContact O-N 3.27Å; C539-L541 VanDerWaalsContact C-N 3.27Å; C539-L541 HydrophobicContact CB-CD1 4.01Å; C539-L541 HydrophobicContact CB-CG 4.38Å
540	G	51.4	Low	47.5	Very low	27 Å²	27	78 Å²	78	28%	0.278	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	6.3	-175.1	0	0	0	0	0	113.9	R336 L536 W537 G542	R336-G540 VanDerWaalsContact NH1-N 3.13Å; L536-G540 PolarHBondContact O-N 2.95Å; W537-G540 WeakPolarHBondContact O-CA 3.42Å; W537-G540 PolarHBondContact O-N 3.33Å; G540-G542 VanDerWaalsContact C-N 3.32Å; G540-G542 PolarHBondContact O-N 3.12Å; G540-G542 VanDerWaalsContact O-N 3.11Å
541	L	54.9	Low	46.8	Very low	48 Å²	48	80.2 Å²	80.2	25%	0.251	45%	0.446	S	S	.	.			trans	-80.7	82.9	169.9	-64.2	158.4	0	0	0	107.7	I329 L536 C539 N543	I329-L541 HydrophobicContact CD1-CD2 4.03Å; I329-L541 HydrophobicContact CG1-CD2 4.02Å; I329-L541 HydrophobicContact CG2-CD1 3.92Å; I329-L541 HydrophobicContact CG2-CD2 4.1Å; I329-L541 HydrophobicContact CG2-CG 4.45Å; L536-L541 CarbonylContact C-O 3.1Å; L536-L541 VanDerWaalsContact C-O 3.27Å; L536-L541 HydrophobicContact CB-CB 4.04Å; L536-L541 HydrophobicContact CD2-CB 3.91Å; L536-L541 HydrophobicContact CD2-CD1 3.52Å; L536-L541 HydrophobicContact CD2-CG 4.35Å; L536-L541 CarbonylContact O-C 3.55Å; L536-L541 WeakPolarHBondContact O-CA 3.45Å; L536-L541 WeakPolarHBondContact O-CB 3.34Å; L536-L541 PolarHBondContact O-N 3.01Å; C539-L541 VanDerWaalsContact C-N 3.27Å; C539-L541 HydrophobicContact CB-CD1 4.01Å; C539-L541 HydrophobicContact CB-CG 4.38Å; L541-N543 PolarHBondContact O-N 3.34Å
542	G	43.5	Very low	45.9	Very low	45 Å²	45	74.1 Å²	74.1	46%	0.464	42%	0.42	S	S	.	.			trans	-58.1	134.7	165.7	0	0	0	0	0	109.4	G540 S544	G540-G542 VanDerWaalsContact C-N 3.32Å; G540-G542 PolarHBondContact O-N 3.12Å; G540-G542 VanDerWaalsContact O-N 3.11Å; G542-S544 PolarHBondContact O-N 2.9Å
543	N	40.7	Very low	45.5	Very low	101 Å²	101	70.9 Å²	70.9	54%	0.54	41%	0.413	S	S	.	.	S	Bend	trans	-71.6	44.4	169.5	-74.9	-16	0	0	0	111.3	S533 L541 P545	S533-N543 PolarHBondContact OG-ND2 2.78Å; S533-N543 VanDerWaalsContact OG-ND2 3.11Å; L541-N543 PolarHBondContact O-N 3.34Å; N543-P545 VanDerWaalsContact C-CD 3.46Å; N543-P545 WeakPolarHBondContact O-CD 3.44Å
544	S	34.5	Very low	45.5	Very low	87 Å²	87	75 Å²	75	61%	0.608	43%	0.433	S	S	*	.			trans	-82.5	94.4	154.8	50.8	0	0	0	0	106.5	G542 C546	G542-S544 PolarHBondContact O-N 2.9Å; S544-C546 PolarHBondContact O-N 2.91Å; S544-C546 VanDerWaalsContact O-N 3.07Å
545	P	32.9	Very low	45.4	Very low	97 Å²	97	79.2 Å²	79.2	63%	0.63	45%	0.448	S	S	*	.			trans	-55.1	122.1	162.6	26.3	-33.6	0	0	0	106.5	N543 T547	N543-P545 VanDerWaalsContact C-CD 3.46Å; N543-P545 WeakPolarHBondContact O-CD 3.44Å; P545-T547 PolarHBondContact O-N 3.34Å; P545-T547 PolarHBondContact O-OG1 3.27Å
546	C	35	Very low	45.3	Very low	76 Å²	76	79.9 Å²	79.9	51%	0.514	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-74.9	48.8	171.3	-81.4	0	0	0	0	110.3	S544 K548 C549	S544-C546 PolarHBondContact O-N 2.91Å; S544-C546 VanDerWaalsContact O-N 3.07Å; C546-K548 PolarHBondContact O-N 3.05Å; C546-C549 HydrophobicContact CB-CB 4.07Å; C546-C549 WeakPolarHBondContact O-CA 3Å; C546-C549 VanDerWaalsContact O-CB 3.26Å; C546-C549 WeakPolarHBondContact O-CB 3.41Å; C546-C549 PolarHBondContact O-N 3.01Å
547	T	33	Very low	45.1	Very low	105 Å²	105	81.1 Å²	81.1	64%	0.644	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-60.8	-30.1	167.3	14.8	0	0	0	0	111.2	P545 C549 S550	P545-T547 PolarHBondContact O-N 3.34Å; P545-T547 PolarHBondContact O-OG1 3.27Å; T547-C549 PolarHBondContact O-N 3.3Å; T547-S550 PolarHBondContact O-N 3.4Å; T547-S550 PolarHBondContact O-OG 3.22Å
548	K	32.4	Very low	45.1	Very low	118 Å²	118	80.7 Å²	80.7	51%	0.513	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-53	-40	169.9	-117.5	-175.8	-175	-178.5	0	110.9	V505 E507 C546 S550	V505-K548 VanDerWaalsContact CA-O 3.29Å; V505-K548 WeakPolarHBondContact CA-O 3.35Å; V505-K548 HydrophobicContact CG1-CB 4.3Å; V505-K548 HydrophobicContact CG1-CD 4.42Å; V505-K548 HydrophobicContact CG1-CG 4.37Å; E507-K548 HydrophobicContact CG-CD 4.21Å; E507-K548 IonicContact OE1-NZ 3.82Å; E507-K548 PolarHBondContact OE1-NZ 3.37Å; C546-K548 PolarHBondContact O-N 3.05Å; K548-S550 PolarHBondContact O-N 2.02Å
549	C	36.1	Very low	45.5	Very low	30 Å²	30	82.9 Å²	82.9	20%	0.203	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-74.4	41.3	178.6	-50	0	0	0	0	112.7	L503 T504 V505 C546 T547	L503-C549 CarbonylContact C-O 3.58Å; L503-C549 WeakPolarHBondContact CA-O 3.08Å; L503-C549 HydrophobicContact CB-CB 4.08Å; L503-C549 WeakPolarHBondContact CB-O 3.18Å; L503-C549 HydrophobicContact CD2-CB 3.97Å; L503-C549 WeakPolarHBondContact CD2-O 3.28Å; L503-C549 HydrophobicContact CG-CB 4.36Å; L503-C549 WeakPolarHBondContact CG-O 3.49Å; T504-C549 PolarHBondContact N-O 2.82Å; T504-C549 CarbonylContact O-C 3.54Å; T504-C549 WeakPolarHBondContact O-CA 2.98Å; V505-C549 HydrophobicContact CG2-CB 3.94Å; V505-C549 WeakPolarHBondContact CG2-SG 3.08Å; C546-C549 HydrophobicContact CB-CB 4.07Å; C546-C549 WeakPolarHBondContact O-CA 3Å; C546-C549 VanDerWaalsContact O-CB 3.26Å; C546-C549 WeakPolarHBondContact O-CB 3.41Å; C546-C549 PolarHBondContact O-N 3.01Å; T547-C549 PolarHBondContact O-N 3.3Å
550	S	38.4	Very low	45.5	Very low	71 Å²	71	87.1 Å²	87.1	50%	0.497	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-112.9	-5.4	167.8	-59	0	0	0	0	117.6	T504 T547 K548	T504-S550 CarbonylContact O-C 3.41Å; T504-S550 VanDerWaalsContact O-CA 3.29Å; T504-S550 WeakPolarHBondContact O-CA 3.49Å; T504-S550 PolarHBondContact O-N 3.25Å; T547-S550 PolarHBondContact O-N 3.4Å; T547-S550 PolarHBondContact O-OG 3.22Å; K548-S550 PolarHBondContact O-N 2.02Å
551	K	39.4	Very low	46	Very low	155 Å²	155	91.6 Å²	91.6	67%	0.674	49%	0.493	S	S	*	.			trans	-144.7	27.4	-173.2	-58.6	-173.6	178.3	177.3	0	120	T504 Q506 S553	T504-K551 PolarHBondContact O-N 3.1Å; T504-K551 VanDerWaalsContact OG1-C 3.23Å; T504-K551 WeakPolarHBondContact OG1-CA 3.45Å; T504-K551 PolarHBondContact OG1-N 3.44Å; Q506-K551 HydrophobicContact CB-CB 4.17Å; Q506-K551 WeakPolarHBondContact CB-O 3.02Å; Q506-K551 WeakPolarHBondContact CG-O 3.04Å; Q506-K551 PolarHBondContact OE1-O 3.34Å; K551-S553 PolarHBondContact O-N 2.73Å
552	I	42.7	Very low	46.6	Very low	20 Å²	20	94.1 Å²	94.1	10%	0.103	51%	0.507	C	S	.	.			trans	-49.2	126.7	158.9	-98.8	158.1	0	0	0	105.4	T504 V505 Q556 Q557	T504-I552 VanDerWaalsContact C-CB 3.43Å; T504-I552 HydrophobicContact CG2-CB 3.72Å; T504-I552 HydrophobicContact CG2-CG2 3.74Å; T504-I552 PolarHBondContact O-N 2.8Å; T504-I552 WeakPolarHBondContact OG1-CA 3.45Å; T504-I552 PolarHBondContact OG1-N 3.47Å; T504-I552 PolarHBondContact OG1-O 3.44Å; V505-I552 HydrophobicContact CB-CD1 4.17Å; V505-I552 HydrophobicContact CB-CG1 3.95Å; V505-I552 WeakPolarHBondContact O-CA 3.27Å; V505-I552 WeakPolarHBondContact O-CB 3.16Å; V505-I552 WeakPolarHBondContact O-CG1 3.36Å; V505-I552 PolarHBondContact O-N 3.44Å; I552-Q556 HydrophobicContact CG1-CB 4.17Å; I552-Q556 HydrophobicContact CG2-CB 4.29Å; I552-Q557 HydrophobicContact CD1-CG 4.25Å; I552-Q557 HydrophobicContact CG2-CB 3.6Å; I552-Q557 HydrophobicContact CG2-CG 4.07Å
553	S	49.2	Very low	47.7	Very low	63 Å²	63	96.1 Å²	96.1	44%	0.441	51%	0.51	S	S	.	.			trans	-79.1	139.8	161.6	-175.2	0	0	0	0	108.6	K551 K555 Q556	K551-S553 PolarHBondContact O-N 2.73Å; S553-K555 CarbonylContact O-C 3.59Å; S553-K555 PolarHBondContact O-N 2.04Å; S553-Q556 PolarHBondContact O-N 3.27Å
554	N	54.2	Low	48.8	Very low	123 Å²	123	95.5 Å²	95.5	66%	0.658	51%	0.51	S	S	*	.	H	α-helix	trans	-43.2	-35.3	-175	-65.3	5.4	0	0	0	114.2	Q556 Q557 Q558	N554-Q556 PolarHBondContact O-N 3.24Å; N554-Q557 WeakPolarHBondContact O-CB 3.46Å; N554-Q557 PolarHBondContact O-N 3.33Å; N554-Q558 VanDerWaalsContact O-CB 3.28Å; N554-Q558 WeakPolarHBondContact O-CB 3.35Å; N554-Q558 PolarHBondContact O-N 3.28Å
555	K	53.4	Low	50.3	Low	167 Å²	167	96.2 Å²	96.2	73%	0.726	50%	0.503	S	S	*	.	H	α-helix	trans	-55.9	-41.9	173.7	-71.8	-172.7	176.2	-177.7	0	114.4	S553 Q559	S553-K555 CarbonylContact O-C 3.59Å; S553-K555 PolarHBondContact O-N 2.04Å; K555-Q559 WeakPolarHBondContact O-CB 3.35Å; K555-Q559 PolarHBondContact O-N 2.87Å
556	Q	53.2	Low	51.8	Low	61 Å²	61	98.1 Å²	98.1	29%	0.285	51%	0.506	S	S	.	.	H	α-helix	trans	-70.9	-37.2	177.6	-80.4	169.4	-42.7	0	0	111.5	I552 S553 N554 Q559 Q560	I552-Q556 HydrophobicContact CG1-CB 4.17Å; I552-Q556 HydrophobicContact CG2-CB 4.29Å; S553-Q556 PolarHBondContact O-N 3.27Å; N554-Q556 PolarHBondContact O-N 3.24Å; Q556-Q559 PolarHBondContact O-N 3.14Å; Q556-Q560 VanDerWaalsContact O-CB 3.25Å; Q556-Q560 WeakPolarHBondContact O-CB 3.45Å; Q556-Q560 PolarHBondContact O-N 3.46Å
557	Q	54.7	Low	53.2	Low	70 Å²	70	103 Å²	103	33%	0.327	51%	0.513	S	S	.	.	H	α-helix	trans	-61.2	-51.5	173.4	-140.1	154.9	-11.7	0	0	110.3	I552 N554 Q559 Q560 E561	I552-Q557 HydrophobicContact CD1-CG 4.25Å; I552-Q557 HydrophobicContact CG2-CB 3.6Å; I552-Q557 HydrophobicContact CG2-CG 4.07Å; N554-Q557 WeakPolarHBondContact O-CB 3.46Å; N554-Q557 PolarHBondContact O-N 3.33Å; Q557-Q559 VanDerWaalsContact C-N 3.34Å; Q557-Q559 PolarHBondContact O-N 3.35Å; Q557-Q560 CarbonylContact O-C 3.6Å; Q557-Q560 PolarHBondContact O-N 2.93Å; Q557-Q560 VanDerWaalsContact O-N 3.1Å; Q557-E561 WeakPolarHBondContact O-CB 3.27Å; Q557-E561 WeakPolarHBondContact O-CG 3.45Å; Q557-E561 PolarHBondContact O-N 2.03Å
558	Q	58.6	Low	54.8	Low	116 Å²	116	100.1 Å²	100.1	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-40.1	179.7	-159	163.4	27.8	0	0	111.4	N554 Q560 E561 D562	N554-Q558 VanDerWaalsContact O-CB 3.28Å; N554-Q558 WeakPolarHBondContact O-CB 3.35Å; N554-Q558 PolarHBondContact O-N 3.28Å; Q558-Q560 PolarHBondContact O-N 2.93Å; Q558-E561 PolarHBondContact O-N 3.02Å; Q558-D562 VanDerWaalsContact O-CB 3.27Å; Q558-D562 WeakPolarHBondContact O-CB 3.35Å; Q558-D562 PolarHBondContact O-N 3.34Å
559	Q	60.4	Low	56.5	Low	128 Å²	128	99 Å²	99	60%	0.598	49%	0.494	S	S	*	.	H	α-helix	trans	-67.9	-32.4	174.5	-170	173.1	20.4	0	0	112.8	K555 Q556 Q557 T563	K555-Q559 WeakPolarHBondContact O-CB 3.35Å; K555-Q559 PolarHBondContact O-N 2.87Å; Q556-Q559 PolarHBondContact O-N 3.14Å; Q557-Q559 VanDerWaalsContact C-N 3.34Å; Q557-Q559 PolarHBondContact O-N 3.35Å; Q559-T563 VanDerWaalsContact O-CB 3.23Å; Q559-T563 WeakPolarHBondContact O-CB 3.27Å; Q559-T563 PolarHBondContact O-N 2.97Å; Q559-T563 PolarHBondContact O-OG1 3.36Å
560	Q	56.3	Low	57.9	Low	121 Å²	121	104.5 Å²	104.5	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-75.5	-36.4	175.1	-172	168.2	-2.9	0	0	111.7	Q556 Q557 Q558 T564	Q556-Q560 VanDerWaalsContact O-CB 3.25Å; Q556-Q560 WeakPolarHBondContact O-CB 3.45Å; Q556-Q560 PolarHBondContact O-N 3.46Å; Q557-Q560 CarbonylContact O-C 3.6Å; Q557-Q560 PolarHBondContact O-N 2.93Å; Q557-Q560 VanDerWaalsContact O-N 3.1Å; Q558-Q560 PolarHBondContact O-N 2.93Å; Q560-T564 VanDerWaalsContact O-CB 3.28Å; Q560-T564 WeakPolarHBondContact O-CB 3.04Å; Q560-T564 PolarHBondContact O-N 2.84Å; Q560-T564 PolarHBondContact O-OG1 3.27Å
561	E	62.5	Low	59.2	Low	121 Å²	121	103.1 Å²	103.1	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-64.1	-50.1	169.3	-74.1	172.8	-178.2	0	0	111	Q557 Q558 T563 T564 Q565	Q557-E561 WeakPolarHBondContact O-CB 3.27Å; Q557-E561 WeakPolarHBondContact O-CG 3.45Å; Q557-E561 PolarHBondContact O-N 2.03Å; Q558-E561 PolarHBondContact O-N 3.02Å; E561-T563 VanDerWaalsContact C-N 3.32Å; E561-T563 PolarHBondContact O-N 2.79Å; E561-T564 CarbonylContact O-C 3.44Å; E561-T564 WeakPolarHBondContact O-CA 3.35Å; E561-T564 WeakPolarHBondContact O-CB 3.45Å; E561-T564 PolarHBondContact O-N 3.15Å; E561-T564 VanDerWaalsContact O-N 3.09Å; E561-Q565 VanDerWaalsContact O-CB 3.27Å; E561-Q565 WeakPolarHBondContact O-CB 3.46Å; E561-Q565 PolarHBondContact O-N 2.9Å
562	D	67.2	Low	60.5	Low	102 Å²	102	97 Å²	97	55%	0.545	48%	0.476	S	S	.	.	H	α-helix	trans	-58.2	-42.2	175	-77.8	-27	0	0	0	111.6	Q558 Q565 M566	Q558-D562 VanDerWaalsContact O-CB 3.27Å; Q558-D562 WeakPolarHBondContact O-CB 3.35Å; Q558-D562 PolarHBondContact O-N 3.34Å; D562-Q565 PolarHBondContact O-N 3.15Å; D562-M566 WeakPolarHBondContact O-CB 3.03Å; D562-M566 PolarHBondContact O-N 3.32Å
563	T	66	Low	61.9	Low	87 Å²	87	99.6 Å²	99.6	53%	0.534	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-40.2	175.6	-61.6	0	0	0	0	111.2	Q559 E561 R567	Q559-T563 VanDerWaalsContact O-CB 3.23Å; Q559-T563 WeakPolarHBondContact O-CB 3.27Å; Q559-T563 PolarHBondContact O-N 2.97Å; Q559-T563 PolarHBondContact O-OG1 3.36Å; E561-T563 VanDerWaalsContact C-N 3.32Å; E561-T563 PolarHBondContact O-N 2.79Å; T563-R567 WeakPolarHBondContact O-CB 3.15Å; T563-R567 PolarHBondContact O-N 3.39Å
564	T	64.4	Low	63.2	Low	87 Å²	87	97.8 Å²	97.8	53%	0.534	48%	0.476	S	S	.	.	H	α-helix	trans	-66.9	-41.4	176.5	-60.4	0	0	0	0	111	Q560 E561 R567 L568	Q560-T564 VanDerWaalsContact O-CB 3.28Å; Q560-T564 WeakPolarHBondContact O-CB 3.04Å; Q560-T564 PolarHBondContact O-N 2.84Å; Q560-T564 PolarHBondContact O-OG1 3.27Å; E561-T564 CarbonylContact O-C 3.44Å; E561-T564 WeakPolarHBondContact O-CA 3.35Å; E561-T564 WeakPolarHBondContact O-CB 3.45Å; E561-T564 PolarHBondContact O-N 3.15Å; E561-T564 VanDerWaalsContact O-N 3.09Å; T564-R567 PolarHBondContact O-N 3.17Å; T564-L568 VanDerWaalsContact O-CB 3.31Å; T564-L568 WeakPolarHBondContact O-CB 3.4Å; T564-L568 PolarHBondContact O-N 3.22Å
565	Q	65.4	Low	64.5	Low	102 Å²	102	97.9 Å²	97.9	48%	0.477	48%	0.476	S	S	.	.	H	α-helix	trans	-71	-40	178.6	-168.4	72.5	-27.8	0	0	111.5	E561 D562 L568 N569	E561-Q565 VanDerWaalsContact O-CB 3.27Å; E561-Q565 WeakPolarHBondContact O-CB 3.46Å; E561-Q565 PolarHBondContact O-N 2.9Å; D562-Q565 PolarHBondContact O-N 3.15Å; Q565-L568 PolarHBondContact O-N 2.97Å; Q565-N569 VanDerWaalsContact O-CB 3.31Å; Q565-N569 WeakPolarHBondContact O-CB 3.19Å; Q565-N569 PolarHBondContact O-N 2.81Å; Q565-N569 PolarHBondContact O-ND2 2.71Å
566	M	64.4	Low	65.9	Low	137 Å²	137	91.9 Å²	91.9	68%	0.675	45%	0.451	S	S	*	.	H	α-helix	trans	-64.2	-41.9	172.2	-172.3	-171.5	-62.7	0	0	111.1	D562 N569 K570	D562-M566 WeakPolarHBondContact O-CB 3.03Å; D562-M566 PolarHBondContact O-N 3.32Å; M566-N569 PolarHBondContact O-N 2.64Å; M566-K570 WeakPolarHBondContact O-CB 3.48Å; M566-K570 PolarHBondContact O-N 2.96Å
567	R	66.3	Low	67.6	Low	178 Å²	178	94.3 Å²	94.3	67%	0.672	47%	0.465	S	S	*	.	H	α-helix	trans	-63.1	-42.8	173.3	-177.6	175.2	180	168.7	-1	111.3	T563 T564 K570 I571	T563-R567 WeakPolarHBondContact O-CB 3.15Å; T563-R567 PolarHBondContact O-N 3.39Å; T564-R567 PolarHBondContact O-N 3.17Å; R567-K570 PolarHBondContact O-N 3.31Å; R567-I571 HydrophobicContact CG-CD1 3.84Å; R567-I571 WeakPolarHBondContact O-CB 2.99Å; R567-I571 WeakPolarHBondContact O-CD1 3.24Å; R567-I571 VanDerWaalsContact O-CG1 3.24Å; R567-I571 WeakPolarHBondContact O-CG1 3.2Å; R567-I571 PolarHBondContact O-N 3.13Å
568	L	65.6	Low	69.4	Low	46 Å²	46	95.7 Å²	95.7	24%	0.241	48%	0.483	C	S	.	.	H	α-helix	trans	-64	-45.9	176.1	-173.9	72.2	0	0	0	111.5	Q4 T564 Q565 K570 I571 T572	Q4-L568 HydrophobicContact CG-CD1 4.13Å; Q4-L568 HydrophobicContact CG-CD2 4.07Å; Q4-L568 VanDerWaalsContact NE2-CD2 3.28Å; T564-L568 VanDerWaalsContact O-CB 3.31Å; T564-L568 WeakPolarHBondContact O-CB 3.4Å; T564-L568 PolarHBondContact O-N 3.22Å; Q565-L568 PolarHBondContact O-N 2.97Å; L568-K570 VanDerWaalsContact C-N 3.28Å; L568-K570 PolarHBondContact O-N 3.45Å; L568-I571 PolarHBondContact O-N 3.05Å; L568-I571 VanDerWaalsContact O-N 3.17Å; L568-T572 HydrophobicContact CD1-CG2 4.14Å; L568-T572 HydrophobicContact CG-CG2 4.12Å; L568-T572 WeakPolarHBondContact O-CB 3.43Å; L568-T572 VanDerWaalsContact O-CG2 3.23Å; L568-T572 WeakPolarHBondContact O-CG2 3.36Å; L568-T572 PolarHBondContact O-N 3.47Å; L568-T572 PolarHBondContact O-OG1 3.03Å
569	N	67.5	Low	71	Confident	95 Å²	95	95.6 Å²	95.6	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-57.9	-41.7	174.2	-73.7	-16.7	0	0	0	111	Q565 M566 I571 T572 N573	Q565-N569 VanDerWaalsContact O-CB 3.31Å; Q565-N569 WeakPolarHBondContact O-CB 3.19Å; Q565-N569 PolarHBondContact O-N 2.81Å; Q565-N569 PolarHBondContact O-ND2 2.71Å; M566-N569 PolarHBondContact O-N 2.64Å; N569-I571 PolarHBondContact O-N 3.08Å; N569-T572 WeakPolarHBondContact CA-OG1 3.26Å; N569-T572 PolarHBondContact O-OG1 3.14Å; N569-N573 VanDerWaalsContact O-CB 3.25Å; N569-N573 WeakPolarHBondContact O-CB 3.39Å; N569-N573 PolarHBondContact O-N 3.07Å
570	K	66	Low	72.5	Confident	145 Å²	145	91 Å²	91	63%	0.63	47%	0.47	S	S	*	.	H	α-helix	trans	-66.5	-34.8	176.5	-170.2	170.4	-175.5	169.3	0	113.7	M566 R567 L568	M566-K570 WeakPolarHBondContact O-CB 3.48Å; M566-K570 PolarHBondContact O-N 2.96Å; R567-K570 PolarHBondContact O-N 3.31Å; L568-K570 VanDerWaalsContact C-N 3.28Å; L568-K570 PolarHBondContact O-N 3.45Å
571	I	65.3	Low	74.2	Confident	41 Å²	41	89.9 Å²	89.9	21%	0.21	46%	0.463	C	S	.	.	H	α-helix	trans	-78.9	-35.5	178.8	-70.1	167.6	0	0	0	111.9	M1 R567 L568 N569	M1-I571 HydrophobicContact CB-CG2 4.22Å; M1-I571 HydrophobicContact CG-CG2 4.36Å; M1-I571 HydrophobicContact SD-CG2 3.38Å; M1-I571 WeakPolarHBondContact SD-CG2 2.98Å; R567-I571 HydrophobicContact CG-CD1 3.84Å; R567-I571 WeakPolarHBondContact O-CB 2.99Å; R567-I571 WeakPolarHBondContact O-CD1 3.24Å; R567-I571 VanDerWaalsContact O-CG1 3.24Å; R567-I571 WeakPolarHBondContact O-CG1 3.2Å; R567-I571 PolarHBondContact O-N 3.13Å; L568-I571 PolarHBondContact O-N 3.05Å; L568-I571 VanDerWaalsContact O-N 3.17Å; N569-I571 PolarHBondContact O-N 3.08Å
572	T	66.8	Low	75.7	Confident	27 Å²	27	90.2 Å²	90.2	17%	0.166	46%	0.463	C	S	.	.	H	α-helix	trans	-81.4	-17.5	-180	55.9	0	0	0	0	113.5	M1 L568 N569	M1-T572 WeakPolarHBondContact O-CA 3.48Å; M1-T572 WeakPolarHBondContact O-CG2 3.41Å; L568-T572 HydrophobicContact CD1-CG2 4.14Å; L568-T572 HydrophobicContact CG-CG2 4.12Å; L568-T572 WeakPolarHBondContact O-CB 3.43Å; L568-T572 VanDerWaalsContact O-CG2 3.23Å; L568-T572 WeakPolarHBondContact O-CG2 3.36Å; L568-T572 PolarHBondContact O-N 3.47Å; L568-T572 PolarHBondContact O-OG1 3.03Å; N569-T572 WeakPolarHBondContact CA-OG1 3.26Å; N569-T572 PolarHBondContact O-OG1 3.14Å
573	N	72.9	Confident	77	Confident	75 Å²	75	88.7 Å²	88.7	40%	0.401	46%	0.459	S	S	.	.			trans	-68.4	129.2	178.3	-167.8	-4	0	0	0	112.3	N569 N575	N569-N573 VanDerWaalsContact O-CB 3.25Å; N569-N573 WeakPolarHBondContact O-CB 3.39Å; N569-N573 PolarHBondContact O-N 3.07Å; N573-N575 VanDerWaalsContact OD1-CB 3.26Å; N573-N575 WeakPolarHBondContact OD1-CB 3.1Å; N573-N575 PolarHBondContact OD1-N 2.96Å
574	L	75.8	Confident	78.5	Confident	25 Å²	25	85.7 Å²	85.7	13%	0.131	44%	0.44	C	S	.	.			trans	-85.5	-11.1	174.5	-63.7	-176.6	0	0	0	113.5	L2 L216 A473 W474 Q576	L2-L574 HydrophobicContact CD1-CD1 4.35Å; L2-L574 HydrophobicContact CD1-CD2 4.44Å; L2-L574 HydrophobicContact CD2-CD1 3.74Å; L2-L574 HydrophobicContact CD2-CD2 3.86Å; L2-L574 HydrophobicContact CD2-CG 3.7Å; L2-L574 HydrophobicContact CG-CD2 4.19Å; L216-L574 HydrophobicContact CD2-CD2 3.99Å; A473-L574 HydrophobicContact CB-CD1 4.37Å; A473-L574 WeakPolarHBondContact O-CD1 3.25Å; W474-L574 HydrophobicContact CD2-CD1 3.66Å; W474-L574 VanDerWaalsContact CE2-CD1 3.47Å; W474-L574 HydrophobicContact CE3-CD1 4.02Å; W474-L574 HydrophobicContact CG-CD1 4.17Å; W474-L574 HydrophobicContact CH2-CD1 4.03Å; W474-L574 HydrophobicContact CZ2-CB 3.88Å; W474-L574 HydrophobicContact CZ2-CD1 3.68Å; W474-L574 HydrophobicContact CZ2-CG 4.39Å; W474-L574 HydrophobicContact CZ3-CD1 4.19Å; L574-Q576 PolarHBondContact O-N 2.96Å
575	N	81	Confident	79.9	Confident	125 Å²	125	87.8 Å²	87.8	67%	0.668	44%	0.441	S	S	*	.			trans	-68.4	130.8	-178.2	-67	-13.9	0	0	0	110.1	N573	N573-N575 VanDerWaalsContact OD1-CB 3.26Å; N573-N575 WeakPolarHBondContact OD1-CB 3.1Å; N573-N575 PolarHBondContact OD1-N 2.96Å
576	Q	84.2	Confident	81.4	Confident	41 Å²	41	86.3 Å²	86.3	19%	0.192	44%	0.436	C	S	.	.			trans	-121.6	145.6	180	-59.9	178.7	-63.1	0	0	108.6	L216 L574 S578 K581	L216-Q576 HydrophobicContact CD2-CG 4.19Å; L574-Q576 PolarHBondContact O-N 2.96Å; Q576-S578 PolarHBondContact O-N 3.21Å; Q576-K581 HydrophobicContact CB-CB 4.33Å
577	N	88.9	Confident	82.8	Confident	111 Å²	111	80.8 Å²	80.8	59%	0.594	41%	0.414	S	S	*	.			trans	-56.1	131.1	166.7	-179.7	-10.8	0	0	0	109	L579 A580 K581	N577-L579 VanDerWaalsContact C-N 3.27Å; N577-L579 PolarHBondContact O-N 2.84Å; N577-L579 PolarHBondContact OD1-N 3.05Å; N577-L579 VanDerWaalsContact OD1-N 3.12Å; N577-A580 HydrophobicContact CB-CB 4.16Å; N577-A580 PolarHBondContact O-N 3.07Å; N577-A580 VanDerWaalsContact O-N 3.1Å; N577-K581 PolarHBondContact O-N 3.01Å
578	S	91.7	Very high	84.2	Confident	99 Å²	99	76.2 Å²	76.2	69%	0.692	40%	0.403	S	S	*	.	H	α-helix	trans	-53	-44.1	-179.6	-169.4	0	0	0	0	112	Q576 A580 K581 F582	Q576-S578 PolarHBondContact O-N 3.21Å; S578-A580 PolarHBondContact O-N 3.06Å; S578-K581 PolarHBondContact O-N 3.21Å; S578-F582 WeakPolarHBondContact O-CB 3.48Å; S578-F582 PolarHBondContact O-N 2.92Å
579	L	93	Very high	85.6	Confident	115 Å²	115	79 Å²	79	60%	0.602	42%	0.417	S	S	*	.	H	α-helix	trans	-61.4	-46.7	177.5	-177.8	66.1	0	0	0	111.7	N577 K581 F582 C583	N577-L579 VanDerWaalsContact C-N 3.27Å; N577-L579 PolarHBondContact O-N 2.84Å; N577-L579 PolarHBondContact OD1-N 3.05Å; N577-L579 VanDerWaalsContact OD1-N 3.12Å; L579-K581 PolarHBondContact O-N 3.02Å; L579-F582 WeakPolarHBondContact O-CB 3.06Å; L579-F582 PolarHBondContact O-N 2.93Å; L579-C583 PolarHBondContact O-N 3.28Å; L579-C583 PolarHBondContact O-SG 3.3Å
580	A	90.9	Very high	86.8	Confident	32 Å²	32	78.6 Å²	78.6	26%	0.264	41%	0.414	S	S	.	.	H	α-helix	trans	-61.5	-45.3	177.3	0	0	0	0	0	111	N577 S578 F582 C583 L584	N577-A580 HydrophobicContact CB-CB 4.16Å; N577-A580 PolarHBondContact O-N 3.07Å; N577-A580 VanDerWaalsContact O-N 3.1Å; S578-A580 PolarHBondContact O-N 3.06Å; A580-F582 VanDerWaalsContact C-N 3.29Å; A580-F582 PolarHBondContact O-N 3.1Å; A580-C583 PolarHBondContact O-N 3.24Å; A580-L584 WeakPolarHBondContact O-CB 3.25Å; A580-L584 WeakPolarHBondContact O-CD1 3.45Å; A580-L584 WeakPolarHBondContact O-CG 3.29Å; A580-L584 PolarHBondContact O-N 3.28Å
581	K	92.1	Very high	88.1	Confident	97 Å²	97	72.7 Å²	72.7	42%	0.422	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-37.1	177.2	-169.9	176.2	-174.4	176.9	0	112.3	Q576 N577 S578 L579 K585	Q576-K581 HydrophobicContact CB-CB 4.33Å; N577-K581 PolarHBondContact O-N 3.01Å; S578-K581 PolarHBondContact O-N 3.21Å; L579-K581 PolarHBondContact O-N 3.02Å; K581-K585 WeakPolarHBondContact O-CG 3.45Å; K581-K585 PolarHBondContact O-N 3.42Å; K581-K585 VanDerWaalsContact O-N 3.15Å
582	F	94.9	Very high	89.5	Confident	127 Å²	127	74.7 Å²	74.7	56%	0.557	40%	0.399	S	S	*	.	H	α-helix	trans	-67.1	-50.9	175	-179.2	-107.9	0	0	0	111.8	S578 L579 A580 L584 K585 I586	S578-F582 WeakPolarHBondContact O-CB 3.48Å; S578-F582 PolarHBondContact O-N 2.92Å; L579-F582 WeakPolarHBondContact O-CB 3.06Å; L579-F582 PolarHBondContact O-N 2.93Å; A580-F582 VanDerWaalsContact C-N 3.29Å; A580-F582 PolarHBondContact O-N 3.1Å; F582-L584 VanDerWaalsContact C-N 3.32Å; F582-L584 PolarHBondContact O-N 3.08Å; F582-K585 WeakPolarHBondContact O-CB 3.24Å; F582-K585 PolarHBondContact O-N 3.02Å; F582-K585 VanDerWaalsContact O-N 3.14Å; F582-I586 HydrophobicContact CD1-CD1 3.88Å; F582-I586 HydrophobicContact CE1-CD1 3.39Å; F582-I586 HydrophobicContact CE2-CD1 4.14Å; F582-I586 HydrophobicContact CG-CD1 4.45Å; F582-I586 HydrophobicContact CZ-CD1 3.54Å; F582-I586 PolarHBondContact O-N 3.23Å
583	C	94.8	Very high	90.8	Very high	70 Å²	70	77 Å²	77	47%	0.473	42%	0.416	S	S	.	.	H	α-helix	trans	-59.6	-40.5	176.7	-64.1	0	0	0	0	112.5	L579 A580 K585 I586 G587	L579-C583 PolarHBondContact O-N 3.28Å; L579-C583 PolarHBondContact O-SG 3.3Å; A580-C583 PolarHBondContact O-N 3.24Å; C583-K585 PolarHBondContact O-N 2.7Å; C583-I586 PolarHBondContact O-N 3.09Å; C583-G587 PolarHBondContact O-N 3.17Å
584	L	95.9	Very high	91.7	Very high	25 Å²	25	77.7 Å²	77.7	13%	0.131	42%	0.419	C	S	.	.	H	α-helix	trans	-63.1	-39.7	176	-68.3	167	0	0	0	111.9	Q220 G221 L224 A580 F582 G587 L588	Q220-L584 HydrophobicContact CB-CD1 4.06Å; Q220-L584 HydrophobicContact CB-CD2 4.18Å; G221-L584 VanDerWaalsContact CA-CD2 3.41Å; L224-L584 HydrophobicContact CD1-CB 4.06Å; L224-L584 HydrophobicContact CD1-CD2 3.64Å; L224-L584 HydrophobicContact CD1-CG 4.47Å; L224-L584 VanDerWaalsContact CD1-O 3.26Å; L224-L584 WeakPolarHBondContact CD1-O 3.45Å; A580-L584 WeakPolarHBondContact O-CB 3.25Å; A580-L584 WeakPolarHBondContact O-CD1 3.45Å; A580-L584 WeakPolarHBondContact O-CG 3.29Å; A580-L584 PolarHBondContact O-N 3.28Å; F582-L584 VanDerWaalsContact C-N 3.32Å; F582-L584 PolarHBondContact O-N 3.08Å; L584-G587 PolarHBondContact O-N 2.96Å; L584-L588 WeakPolarHBondContact O-CB 3.4Å; L584-L588 PolarHBondContact O-N 2.76Å
585	K	95.4	Very high	92.5	Very high	130 Å²	130	78.1 Å²	78.1	57%	0.565	42%	0.422	S	S	*	.	H	α-helix	trans	-65.6	-42.9	174.5	-78	-178.6	172.5	-165	0	112.5	K581 F582 C583 L588 I589	K581-K585 WeakPolarHBondContact O-CG 3.45Å; K581-K585 PolarHBondContact O-N 3.42Å; K581-K585 VanDerWaalsContact O-N 3.15Å; F582-K585 WeakPolarHBondContact O-CB 3.24Å; F582-K585 PolarHBondContact O-N 3.02Å; F582-K585 VanDerWaalsContact O-N 3.14Å; C583-K585 PolarHBondContact O-N 2.7Å; K585-L588 PolarHBondContact O-N 2.88Å; K585-I589 WeakPolarHBondContact O-CG1 3.34Å; K585-I589 PolarHBondContact O-N 3.05Å; K585-I589 VanDerWaalsContact O-N 3.1Å
586	I	95.5	Very high	93.1	Very high	72 Å²	72	76.5 Å²	76.5	37%	0.369	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-47.3	175.4	-70.8	174.2	0	0	0	110.3	F582 C583 L588 I589 I590	F582-I586 HydrophobicContact CD1-CD1 3.88Å; F582-I586 HydrophobicContact CE1-CD1 3.39Å; F582-I586 HydrophobicContact CE2-CD1 4.14Å; F582-I586 HydrophobicContact CG-CD1 4.45Å; F582-I586 HydrophobicContact CZ-CD1 3.54Å; F582-I586 PolarHBondContact O-N 3.23Å; C583-I586 PolarHBondContact O-N 3.09Å; I586-L588 VanDerWaalsContact C-N 3.29Å; I586-L588 PolarHBondContact O-N 3.48Å; I586-I589 PolarHBondContact O-N 3.48Å; I586-I589 VanDerWaalsContact O-N 3.13Å; I586-I590 HydrophobicContact CG2-CD1 3.69Å; I586-I590 HydrophobicContact CG2-CG1 4.33Å; I586-I590 WeakPolarHBondContact O-CG1 3.47Å; I586-I590 PolarHBondContact O-N 3.32Å
587	G	94.1	Very high	93.6	Very high	20 Å²	20	80.6 Å²	80.6	21%	0.206	43%	0.43	C	S	.	.	H	α-helix	trans	-57.3	-40.8	177	0	0	0	0	0	112.8	C583 L584 I590 I591	C583-G587 PolarHBondContact O-N 3.17Å; L584-G587 PolarHBondContact O-N 2.96Å; G587-I590 PolarHBondContact O-N 2.69Å; G587-I591 WeakPolarHBondContact O-CD1 3.49Å; G587-I591 VanDerWaalsContact O-CG1 3.25Å; G587-I591 WeakPolarHBondContact O-CG1 3.5Å; G587-I591 PolarHBondContact O-N 3.26Å
588	L	95.4	Very high	93.8	Very high	83 Å²	83	76.1 Å²	76.1	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-61.6	-45.8	174.3	-179.6	62.4	0	0	0	112.4	L224 L584 K585 I586 I591 I592	L224-L588 HydrophobicContact CD2-CB 3.83Å; L224-L588 HydrophobicContact CD2-CD1 3.85Å; L224-L588 HydrophobicContact CD2-CG 4.44Å; L584-L588 WeakPolarHBondContact O-CB 3.4Å; L584-L588 PolarHBondContact O-N 2.76Å; K585-L588 PolarHBondContact O-N 2.88Å; I586-L588 VanDerWaalsContact C-N 3.29Å; I586-L588 PolarHBondContact O-N 3.48Å; L588-I591 PolarHBondContact O-N 2.77Å; L588-I592 HydrophobicContact CD1-CD1 3.93Å; L588-I592 HydrophobicContact CD1-CG1 4.34Å; L588-I592 HydrophobicContact CG-CD1 3.91Å; L588-I592 VanDerWaalsContact O-CG1 3.29Å; L588-I592 WeakPolarHBondContact O-CG1 3.48Å; L588-I592 PolarHBondContact O-N 3.13Å
589	I	95.7	Very high	93.8	Very high	105 Å²	105	75.1 Å²	75.1	54%	0.538	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-46.9	177.2	-66.8	164.6	0	0	0	110.3	K585 I586 I591 I592 C593	K585-I589 WeakPolarHBondContact O-CG1 3.34Å; K585-I589 PolarHBondContact O-N 3.05Å; K585-I589 VanDerWaalsContact O-N 3.1Å; I586-I589 PolarHBondContact O-N 3.48Å; I586-I589 VanDerWaalsContact O-N 3.13Å; I589-I591 PolarHBondContact O-N 2.79Å; I589-I592 PolarHBondContact O-N 2.85Å; I589-C593 WeakPolarHBondContact O-CB 3.41Å; I589-C593 PolarHBondContact O-N 2.92Å; I589-C593 PolarHBondContact O-SG 2.88Å; I589-C593 VanDerWaalsContact O-SG 3.33Å
590	I	93	Very high	93.8	Very high	86 Å²	86	74.3 Å²	74.3	44%	0.441	39%	0.386	S	S	.	.	H	α-helix	trans	-58	-47.6	178.1	-68.7	169.8	0	0	0	110.9	I586 G587 I592 C593 L594	I586-I590 HydrophobicContact CG2-CD1 3.69Å; I586-I590 HydrophobicContact CG2-CG1 4.33Å; I586-I590 WeakPolarHBondContact O-CG1 3.47Å; I586-I590 PolarHBondContact O-N 3.32Å; G587-I590 PolarHBondContact O-N 2.69Å; I590-I592 PolarHBondContact O-N 3.47Å; I590-C593 PolarHBondContact O-N 3.05Å; I590-L594 HydrophobicContact CG2-CD1 3.72Å; I590-L594 HydrophobicContact CG2-CG 4.26Å; I590-L594 WeakPolarHBondContact O-CB 3.31Å; I590-L594 VanDerWaalsContact O-CG 3.29Å; I590-L594 WeakPolarHBondContact O-CG 3.32Å; I590-L594 PolarHBondContact O-N 2.85Å
591	I	93.1	Very high	94	Very high	20 Å²	20	75.7 Å²	75.7	10%	0.103	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-44.3	178.5	-69.3	161.3	0	0	0	111.2	L224 L228 G587 L588 I589 L594 T595	L224-I591 HydrophobicContact CB-CD1 3.83Å; L224-I591 HydrophobicContact CD2-CD1 3.71Å; L224-I591 HydrophobicContact CG-CD1 4.37Å; L224-I591 WeakPolarHBondContact O-CD1 3.43Å; L228-I591 HydrophobicContact CD1-CD1 4.37Å; L228-I591 HydrophobicContact CD1-CG1 4.41Å; L228-I591 HydrophobicContact CD2-CD1 4.29Å; L228-I591 HydrophobicContact CD2-CG1 3.52Å; L228-I591 HydrophobicContact CG-CD1 3.83Å; L228-I591 HydrophobicContact CG-CG1 3.62Å; G587-I591 WeakPolarHBondContact O-CD1 3.49Å; G587-I591 VanDerWaalsContact O-CG1 3.25Å; G587-I591 WeakPolarHBondContact O-CG1 3.5Å; G587-I591 PolarHBondContact O-N 3.26Å; L588-I591 PolarHBondContact O-N 2.77Å; I589-I591 PolarHBondContact O-N 2.79Å; I591-L594 PolarHBondContact O-N 3.42Å; I591-T595 VanDerWaalsContact O-CB 3.25Å; I591-T595 WeakPolarHBondContact O-CB 3.15Å; I591-T595 PolarHBondContact O-N 3.21Å; I591-T595 PolarHBondContact O-OG1 2.74Å
592	I	93.9	Very high	94	Very high	84 Å²	84	73.4 Å²	73.4	43%	0.431	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-48.3	178.4	-69.9	167.5	0	0	0	110.2	L588 I589 I590 L594 T595 I596	L588-I592 HydrophobicContact CD1-CD1 3.93Å; L588-I592 HydrophobicContact CD1-CG1 4.34Å; L588-I592 HydrophobicContact CG-CD1 3.91Å; L588-I592 VanDerWaalsContact O-CG1 3.29Å; L588-I592 WeakPolarHBondContact O-CG1 3.48Å; L588-I592 PolarHBondContact O-N 3.13Å; I589-I592 PolarHBondContact O-N 2.85Å; I590-I592 PolarHBondContact O-N 3.47Å; I592-L594 PolarHBondContact O-N 3.17Å; I592-T595 PolarHBondContact O-N 3.32Å; I592-I596 HydrophobicContact CG2-CD1 3.68Å; I592-I596 HydrophobicContact CG2-CG1 4.43Å; I592-I596 WeakPolarHBondContact O-CG1 3.48Å; I592-I596 PolarHBondContact O-N 3.36Å
593	C	95	Very high	93.9	Very high	76 Å²	76	68.1 Å²	68.1	51%	0.514	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-46.3	177.7	-68.9	0	0	0	0	112.4	I589 I590 T595 I596 F597	I589-C593 WeakPolarHBondContact O-CB 3.41Å; I589-C593 PolarHBondContact O-N 2.92Å; I589-C593 PolarHBondContact O-SG 2.88Å; I589-C593 VanDerWaalsContact O-SG 3.33Å; I590-C593 PolarHBondContact O-N 3.05Å; C593-T595 VanDerWaalsContact C-N 3.33Å; C593-T595 PolarHBondContact O-N 3.29Å; C593-I596 PolarHBondContact O-N 2.8Å; C593-F597 VanDerWaalsContact O-CB 3.29Å; C593-F597 WeakPolarHBondContact O-CB 3.36Å; C593-F597 PolarHBondContact O-N 3.42Å
594	L	92.4	Very high	93.8	Very high	89 Å²	89	70.9 Å²	70.9	47%	0.466	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-38.9	176.5	-72.5	173.3	0	0	0	112.2	L228 I590 I591 I592 A598	L228-L594 HydrophobicContact CD2-CD1 4.26Å; I590-L594 HydrophobicContact CG2-CD1 3.72Å; I590-L594 HydrophobicContact CG2-CG 4.26Å; I590-L594 WeakPolarHBondContact O-CB 3.31Å; I590-L594 VanDerWaalsContact O-CG 3.29Å; I590-L594 WeakPolarHBondContact O-CG 3.32Å; I590-L594 PolarHBondContact O-N 2.85Å; I591-L594 PolarHBondContact O-N 3.42Å; I592-L594 PolarHBondContact O-N 3.17Å; L594-A598 VanDerWaalsContact O-CB 3.32Å; L594-A598 WeakPolarHBondContact O-CB 3.42Å; L594-A598 PolarHBondContact O-N 2.88Å
595	T	92.3	Very high	93.7	Very high	33 Å²	33	77.1 Å²	77.1	20%	0.202	39%	0.386	C	S	.	.	H	α-helix	trans	-70.3	-43.2	-179.9	-55.2	0	0	0	0	111.4	Q231 I591 I592 C593 A598 Y599	Q231-T595 PolarHBondContact NE2-OG1 2.85Å; I591-T595 VanDerWaalsContact O-CB 3.25Å; I591-T595 WeakPolarHBondContact O-CB 3.15Å; I591-T595 PolarHBondContact O-N 3.21Å; I591-T595 PolarHBondContact O-OG1 2.74Å; I592-T595 PolarHBondContact O-N 3.32Å; C593-T595 VanDerWaalsContact C-N 3.33Å; C593-T595 PolarHBondContact O-N 3.29Å; T595-A598 PolarHBondContact O-N 2.79Å; T595-Y599 HydrophobicContact CG2-CD2 3.91Å; T595-Y599 HydrophobicContact CG2-CE2 3.5Å; T595-Y599 VanDerWaalsContact O-CD2 3.24Å; T595-Y599 WeakPolarHBondContact O-CD2 3.22Å; T595-Y599 PolarHBondContact O-N 3.38Å
596	I	93.4	Very high	93.6	Very high	92 Å²	92	71.8 Å²	71.8	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-45.2	174.4	-68	169	0	0	0	110.3	I592 C593 A598 Y599 L600	I592-I596 HydrophobicContact CG2-CD1 3.68Å; I592-I596 HydrophobicContact CG2-CG1 4.43Å; I592-I596 WeakPolarHBondContact O-CG1 3.48Å; I592-I596 PolarHBondContact O-N 3.36Å; C593-I596 PolarHBondContact O-N 2.8Å; I596-A598 PolarHBondContact O-N 2.69Å; I596-Y599 PolarHBondContact O-N 2.89Å; I596-L600 HydrophobicContact CG2-CD1 3.88Å; I596-L600 HydrophobicContact CG2-CG 4.42Å; I596-L600 WeakPolarHBondContact O-CG 3.33Å; I596-L600 PolarHBondContact O-N 3.17Å
597	F	94.8	Very high	93.3	Very high	127 Å²	127	74.5 Å²	74.5	56%	0.557	38%	0.378	S	S	*	.	H	α-helix	trans	-57.5	-47.5	174.8	172.7	-96.7	0	0	0	111.5	C593 L600 F601	C593-F597 VanDerWaalsContact O-CB 3.29Å; C593-F597 WeakPolarHBondContact O-CB 3.36Å; C593-F597 PolarHBondContact O-N 3.42Å; F597-L600 PolarHBondContact O-N 2.93Å; F597-F601 HydrophobicContact CE1-CB 4.26Å; F597-F601 HydrophobicContact CE1-CG 4.44Å; F597-F601 HydrophobicContact CE2-CB 4.45Å; F597-F601 HydrophobicContact CZ-CB 4.15Å; F597-F601 HydrophobicContact CZ-CD2 4.22Å; F597-F601 HydrophobicContact CZ-CG 4.2Å; F597-F601 WeakPolarHBondContact O-CB 3.38Å; F597-F601 PolarHBondContact O-N 3.39Å
598	A	92.2	Very high	93.2	Very high	17 Å²	17	76.4 Å²	76.4	14%	0.14	38%	0.384	C	S	.	.	H	α-helix	trans	-60.5	-46.8	178.1	0	0	0	0	0	112	L594 T595 I596 L600 F601 Y602	L594-A598 VanDerWaalsContact O-CB 3.32Å; L594-A598 WeakPolarHBondContact O-CB 3.42Å; L594-A598 PolarHBondContact O-N 2.88Å; T595-A598 PolarHBondContact O-N 2.79Å; I596-A598 PolarHBondContact O-N 2.69Å; A598-L600 PolarHBondContact O-N 3.46Å; A598-F601 PolarHBondContact O-N 2.99Å; A598-Y602 HydrophobicContact CB-CD2 4.12Å; A598-Y602 HydrophobicContact CB-CE2 4.23Å; A598-Y602 WeakPolarHBondContact O-CB 3.2Å; A598-Y602 WeakPolarHBondContact O-CD2 3.44Å; A598-Y602 PolarHBondContact O-N 2.9Å
599	Y	91.7	Very high	93	Very high	78 Å²	78	73.5 Å²	73.5	31%	0.306	37%	0.368	S	S	.	.	H	α-helix	trans	-60.1	-44.9	176.5	-76.3	-51.3	0	0	0	112.4	L174 L175 F188 T595 I596 S603	L174-Y599 HydrophobicContact CD2-CD1 3.81Å; L174-Y599 HydrophobicContact CD2-CE1 4.11Å; L175-Y599 HydrophobicContact CD1-CD1 3.81Å; L175-Y599 HydrophobicContact CD1-CE1 4.47Å; L175-Y599 HydrophobicContact CD1-CG 4.22Å; L175-Y599 HydrophobicContact CD2-CD1 4.49Å; L175-Y599 HydrophobicContact CG-CD1 4.15Å; F188-Y599 AromaticContact CE1-CE1 3.69Å; F188-Y599 HydrophobicContact CE1-CE1 3.69Å; F188-Y599 AromaticContact CE1-CZ 3.8Å; F188-Y599 WeakPolarHBondContact CE1-OH 3.44Å; F188-Y599 HydrophobicContact CZ-CE1 4.15Å; T595-Y599 HydrophobicContact CG2-CD2 3.91Å; T595-Y599 HydrophobicContact CG2-CE2 3.5Å; T595-Y599 VanDerWaalsContact O-CD2 3.24Å; T595-Y599 WeakPolarHBondContact O-CD2 3.22Å; T595-Y599 PolarHBondContact O-N 3.38Å; I596-Y599 PolarHBondContact O-N 2.89Å; Y599-S603 WeakPolarHBondContact O-CB 3.4Å; Y599-S603 PolarHBondContact O-N 2.99Å; Y599-S603 PolarHBondContact O-OG 2.96Å
600	L	93.9	Very high	92.7	Very high	98 Å²	98	75.3 Å²	75.3	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-66.8	-49	178.8	-68.2	173.1	0	0	0	111.5	I596 F597 A598 S603 L604	I596-L600 HydrophobicContact CG2-CD1 3.88Å; I596-L600 HydrophobicContact CG2-CG 4.42Å; I596-L600 WeakPolarHBondContact O-CG 3.33Å; I596-L600 PolarHBondContact O-N 3.17Å; F597-L600 PolarHBondContact O-N 2.93Å; A598-L600 PolarHBondContact O-N 3.46Å; L600-S603 PolarHBondContact O-N 3.49Å; L600-L604 HydrophobicContact CD2-CD1 4.12Å; L600-L604 VanDerWaalsContact O-CB 3.27Å; L600-L604 WeakPolarHBondContact O-CB 3.29Å; L600-L604 WeakPolarHBondContact O-CG 3.33Å; L600-L604 PolarHBondContact O-N 3.12Å
601	F	94.7	Very high	92.8	Very high	60 Å²	60	72 Å²	72	26%	0.263	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-55.7	-178.8	-179.3	-101.2	0	0	0	111.7	F597 A598 S603 L604 Y605 F606	F597-F601 HydrophobicContact CE1-CB 4.26Å; F597-F601 HydrophobicContact CE1-CG 4.44Å; F597-F601 HydrophobicContact CE2-CB 4.45Å; F597-F601 HydrophobicContact CZ-CB 4.15Å; F597-F601 HydrophobicContact CZ-CD2 4.22Å; F597-F601 HydrophobicContact CZ-CG 4.2Å; F597-F601 WeakPolarHBondContact O-CB 3.38Å; F597-F601 PolarHBondContact O-N 3.39Å; A598-F601 PolarHBondContact O-N 2.99Å; F601-S603 PolarHBondContact O-N 3.35Å; F601-L604 PolarHBondContact O-N 3.49Å; F601-Y605 HydrophobicContact CD2-CD2 4.4Å; F601-Y605 HydrophobicContact CD2-CG 4.07Å; F601-Y605 AromaticContact CE2-CD1 3.78Å; F601-Y605 HydrophobicContact CE2-CD1 3.78Å; F601-Y605 AromaticContact CE2-CD2 3.81Å; F601-Y605 HydrophobicContact CE2-CD2 3.81Å; F601-Y605 HydrophobicContact CE2-CE1 4.3Å; F601-Y605 HydrophobicContact CE2-CE2 4.32Å; F601-Y605 AromaticContact CE2-CG 3.52Å; F601-Y605 HydrophobicContact CE2-CG 3.52Å; F601-Y605 AromaticContact CZ-CD1 3.72Å; F601-Y605 HydrophobicContact CZ-CD1 3.72Å; F601-Y605 HydrophobicContact CZ-CE1 4.15Å; F601-Y605 AromaticContact CZ-CG 3.95Å; F601-Y605 HydrophobicContact CZ-CG 3.95Å; F601-Y605 WeakPolarHBondContact O-CB 3.37Å; F601-Y605 PolarHBondContact O-N 2.93Å; F601-F606 HydrophobicContact CD1-CE2 4.49Å; F601-F606 AromaticContact CE1-CE2 3.92Å; F601-F606 HydrophobicContact CE1-CE2 3.92Å; F601-F606 HydrophobicContact CE1-CZ 4.31Å; F601-F606 HydrophobicContact CZ-CE2 4.36Å
602	Y	92.3	Very high	92.6	Very high	50 Å²	50	71.6 Å²	71.6	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-72.4	-8	-177.3	-66.5	-63.9	0	0	0	114.4	R173 L174 F235 A598 F606	R173-Y602 WeakPolarHBondContact CA-O 3.49Å; L174-Y602 PolarHBondContact N-O 3.12Å; F235-Y602 VanDerWaalsContact CZ-OH 3.23Å; F235-Y602 WeakPolarHBondContact CZ-OH 3.49Å; A598-Y602 HydrophobicContact CB-CD2 4.12Å; A598-Y602 HydrophobicContact CB-CE2 4.23Å; A598-Y602 WeakPolarHBondContact O-CB 3.2Å; A598-Y602 WeakPolarHBondContact O-CD2 3.44Å; A598-Y602 PolarHBondContact O-N 2.9Å; Y602-F606 HydrophobicContact CD1-CD2 4.46Å; Y602-F606 AromaticContact CD1-CE2 3.8Å; Y602-F606 HydrophobicContact CD1-CE2 3.8Å; Y602-F606 HydrophobicContact CE1-CE2 4.19Å
603	S	93.1	Very high	92.5	Very high	16 Å²	16	69 Å²	69	11%	0.112	35%	0.35	C	S	.	.	H	α-helix	trans	-102.9	-29.4	175.6	-48.8	0	0	0	0	113	L175 Y599 L600 F601	L175-S603 VanDerWaalsContact CB-OG 3.31Å; L175-S603 WeakPolarHBondContact CB-OG 3.47Å; L175-S603 PolarHBondContact N-OG 3.09Å; L175-S603 WeakPolarHBondContact O-CB 3.37Å; Y599-S603 WeakPolarHBondContact O-CB 3.4Å; Y599-S603 PolarHBondContact O-N 2.99Å; Y599-S603 PolarHBondContact O-OG 2.96Å; L600-S603 PolarHBondContact O-N 3.49Å; F601-S603 PolarHBondContact O-N 3.35Å
604	L	93.3	Very high	92.5	Very high	127 Å²	127	65.4 Å²	65.4	67%	0.665	33%	0.325	S	S	*	.	H	α-helix	trans	-109.7	-29	-172.5	-57.2	176.5	0	0	0	114.5	L600 F601	L600-L604 HydrophobicContact CD2-CD1 4.12Å; L600-L604 VanDerWaalsContact O-CB 3.27Å; L600-L604 WeakPolarHBondContact O-CB 3.29Å; L600-L604 WeakPolarHBondContact O-CG 3.33Å; L600-L604 PolarHBondContact O-N 3.12Å; F601-L604 PolarHBondContact O-N 3.49Å
605	Y	93.6	Very high	92.6	Very high	157 Å²	157	61.6 Å²	61.6	62%	0.616	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-38	-173.1	-179.2	-99.4	0	0	0	113.3	F601	F601-Y605 HydrophobicContact CD2-CD2 4.4Å; F601-Y605 HydrophobicContact CD2-CG 4.07Å; F601-Y605 AromaticContact CE2-CD1 3.78Å; F601-Y605 HydrophobicContact CE2-CD1 3.78Å; F601-Y605 AromaticContact CE2-CD2 3.81Å; F601-Y605 HydrophobicContact CE2-CD2 3.81Å; F601-Y605 HydrophobicContact CE2-CE1 4.3Å; F601-Y605 HydrophobicContact CE2-CE2 4.32Å; F601-Y605 AromaticContact CE2-CG 3.52Å; F601-Y605 HydrophobicContact CE2-CG 3.52Å; F601-Y605 AromaticContact CZ-CD1 3.72Å; F601-Y605 HydrophobicContact CZ-CD1 3.72Å; F601-Y605 HydrophobicContact CZ-CE1 4.15Å; F601-Y605 AromaticContact CZ-CG 3.95Å; F601-Y605 HydrophobicContact CZ-CG 3.95Å; F601-Y605 WeakPolarHBondContact O-CB 3.37Å; F601-Y605 PolarHBondContact O-N 2.93Å
606	F	92.7	Very high	92.5	Very high	18 Å²	18	60.1 Å²	60.1	8%	0.079	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-82.4	139.1	-176.9	-67	-80.8	0	0	0	111.2	F109 L113 F172 R173 F601 Y602	F109-F606 AromaticContact CE1-CE1 3.77Å; F109-F606 HydrophobicContact CE1-CE1 3.77Å; F109-F606 AromaticContact CE1-CZ 3.86Å; F109-F606 HydrophobicContact CE1-CZ 3.86Å; F109-F606 AromaticContact CZ-CE1 3.78Å; F109-F606 HydrophobicContact CZ-CE1 3.78Å; F109-F606 AromaticContact CZ-CZ 3.74Å; F109-F606 HydrophobicContact CZ-CZ 3.74Å; L113-F606 HydrophobicContact CD1-CE1 4.36Å; L113-F606 HydrophobicContact CD2-CD1 4.06Å; L113-F606 HydrophobicContact CD2-CE1 3.99Å; F172-F606 HydrophobicContact CB-CB 3.87Å; F172-F606 HydrophobicContact CB-CD1 3.99Å; F172-F606 HydrophobicContact CB-CD2 4.44Å; F172-F606 HydrophobicContact CB-CG 3.82Å; F172-F606 WeakPolarHBondContact O-CD2 3.45Å; R173-F606 VanDerWaalsContact CZ-O 3.3Å; R173-F606 PolarHBondContact NE-O 2.99Å; R173-F606 PolarHBondContact NH2-O 3.42Å; F601-F606 HydrophobicContact CD1-CE2 4.49Å; F601-F606 AromaticContact CE1-CE2 3.92Å; F601-F606 HydrophobicContact CE1-CE2 3.92Å; F601-F606 HydrophobicContact CE1-CZ 4.31Å; F601-F606 HydrophobicContact CZ-CE2 4.36Å; Y602-F606 HydrophobicContact CD1-CD2 4.46Å; Y602-F606 AromaticContact CD1-CE2 3.8Å; Y602-F606 HydrophobicContact CD1-CE2 3.8Å; Y602-F606 HydrophobicContact CE1-CE2 4.19Å
607	N	89.4	Confident	92.4	Very high	128 Å²	128	57 Å²	57	68%	0.684	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-90.2	165.8	170.6	-73.3	-36	0	0	0	111
608	D	91.2	Very high	91.8	Very high	60 Å²	60	51.3 Å²	51.3	32%	0.321	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-63	138	172.6	-79.1	27.4	0	0	0	110.2	R169 R173	R169-D608 HydrophobicContact CB-CB 4.35Å; R169-D608 CarbonylContact O-C 3.15Å; R169-D608 VanDerWaalsContact O-CA 3.27Å; R169-D608 WeakPolarHBondContact O-CA 3.32Å; R173-D608 IonicContact CZ-OD1 2.66Å; R173-D608 IonicContact NE-OD1 3.89Å; R173-D608 IonicContact NH1-OD1 2.65Å; R173-D608 PolarHBondContact NH1-OD1 3.5Å
609	I	91.4	Very high	91.1	Very high	22 Å²	22	54.1 Å²	54.1	11%	0.113	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-79.4	146.2	178.7	65.4	176.9	0	0	0	111.5	Y116 P167 S168 R169 A171 F172	Y116-I609 HydrophobicContact CD1-CD1 3.63Å; Y116-I609 HydrophobicContact CE1-CD1 4.24Å; P167-I609 HydrophobicContact CB-CD1 4.42Å; S168-I609 WeakPolarHBondContact O-CD1 3.13Å; R169-I609 PolarHBondContact O-N 2.9Å; A171-I609 HydrophobicContact CB-CD1 4.48Å; F172-I609 HydrophobicContact CD2-CG2 3.69Å; F172-I609 HydrophobicContact CE2-CG2 3.92Å
610	I	90.2	Very high	90	Very high	144 Å²	144	54.3 Å²	54.3	74%	0.738	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-77.2	123.9	169.7	-59.2	170.8	0	0	0	107.4	G117	G117-I610 VanDerWaalsContact CA-O 3.28Å; G117-I610 WeakPolarHBondContact CA-O 3.48Å
611	I	93.7	Very high	88.7	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.087	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-93.3	135.8	179.7	-61.4	172.3	0	0	0	110	I120 L149 L150 L166 P167 R169	I120-I611 HydrophobicContact CD1-CG2 4.09Å; L149-I611 HydrophobicContact CD2-CG2 4.35Å; L150-I611 HydrophobicContact CB-CD1 4.42Å; L150-I611 HydrophobicContact CD1-CD1 4.15Å; L150-I611 HydrophobicContact CD2-CD1 4.22Å; L166-I611 HydrophobicContact CB-CG2 4.14Å; L166-I611 HydrophobicContact CD1-CG2 4.01Å; L166-I611 HydrophobicContact CD2-CG2 3.8Å; L166-I611 HydrophobicContact CG-CG2 4.17Å; P167-I611 HydrophobicContact CG-CG1 4.49Å; P167-I611 HydrophobicContact CG-CG2 4.4Å; P167-I611 WeakPolarHBondContact O-CD1 3.27Å; R169-I611 HydrophobicContact CG-CD1 3.5Å; R169-I611 HydrophobicContact CG-CG1 4.08Å
612	G	89	Confident	87.1	Confident	10 Å²	10	58.4 Å²	58.4	10%	0.103	30%	0.302	C	S	.	.			trans	110.4	-178.6	178.6	0	0	0	0	0	113.3	G117	G117-G612 PolarHBondContact O-N 2.98Å
613	P	93.1	Very high	86	Confident	30 Å²	30	57.3 Å²	57.3	20%	0.195	30%	0.299	C	S	.	.	P	Polyproline II helix	cis	-72.7	154.4	-1.6	29.3	-34.6	0	0	0	113	P615 N638 T641	P613-P615 VanDerWaalsContact O-CD 3.31Å; P613-P615 WeakPolarHBondContact O-CD 3.3Å; P613-N638 WeakPolarHBondContact CA-O 3.45Å; P613-N638 WeakPolarHBondContact CB-O 3.44Å; P613-N638 WeakPolarHBondContact CD-OD1 3.39Å; P613-N638 WeakPolarHBondContact CG-OD1 3.43Å; P613-T641 HydrophobicContact CB-CG2 4.06Å; P613-T641 HydrophobicContact CG-CG2 3.7Å
614	L	93.9	Very high	84.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	118.5	169.4	179	65.1	0	0	0	109.6	I120 V123 M137 L149 L162 F255 L616 M639 I640 T641	I120-L614 HydrophobicContact CG2-CD1 3.65Å; V123-L614 HydrophobicContact CG2-CD1 4.01Å; V123-L614 HydrophobicContact CG2-CD2 4.4Å; V123-L614 HydrophobicContact CG2-CG 4.41Å; M137-L614 HydrophobicContact CE-CD2 3.9Å; M137-L614 HydrophobicContact SD-CD2 3.86Å; L149-L614 HydrophobicContact CD1-CB 4.03Å; L149-L614 HydrophobicContact CD1-CD2 4.47Å; L149-L614 HydrophobicContact CD2-CB 3.81Å; L162-L614 HydrophobicContact CD1-CD1 3.7Å; L162-L614 HydrophobicContact CD1-CD2 3.98Å; L162-L614 HydrophobicContact CD1-CG 4.47Å; L162-L614 HydrophobicContact CD2-CD2 4.33Å; F255-L614 HydrophobicContact CZ-CD1 4.5Å; L614-L616 HydrophobicContact CD2-CD2 3.91Å; L614-L616 HydrophobicContact CG-CD2 3.99Å; L614-L616 PolarHBondContact O-N 3.34Å; L614-M639 WeakPolarHBondContact CB-O 3.46Å; L614-M639 PolarHBondContact N-O 3.05Å; L614-I640 HydrophobicContact CB-CG2 4.41Å; L614-I640 CarbonylContact O-C 3.59Å; L614-I640 WeakPolarHBondContact O-CA 3.32Å; L614-T641 PolarHBondContact O-N 3.06Å
615	P	93.8	Very high	83.9	Confident	9 Å²	9	63 Å²	63	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.2	178.5	26.1	-26.8	0	0	0	111.6	E122 V123 P613 T641	E122-P615 CarbonylContact C-O 2.71Å; E122-P615 WeakPolarHBondContact CA-O 3.48Å; E122-P615 HydrophobicContact CB-CB 4.44Å; E122-P615 HydrophobicContact CB-CG 4.31Å; E122-P615 HydrophobicContact CG-CB 3.9Å; E122-P615 HydrophobicContact CG-CG 3.73Å; V123-P615 PolarHBondContact N-O 2.92Å; P613-P615 VanDerWaalsContact O-CD 3.31Å; P613-P615 WeakPolarHBondContact O-CD 3.3Å; P615-T641 HydrophobicContact CB-CG2 4.02Å
616	L	91.9	Very high	82.8	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.3	176.6	-55.9	-175.6	0	0	0	110.1	V123 I125 L134 L614 I640 T641 F642 R643	V123-L616 HydrophobicContact CB-CD2 3.79Å; V123-L616 HydrophobicContact CG1-CD2 4.26Å; V123-L616 HydrophobicContact CG2-CD2 4.45Å; V123-L616 WeakPolarHBondContact O-CA 3.35Å; I125-L616 HydrophobicContact CG2-CB 4.09Å; I125-L616 HydrophobicContact CG2-CD1 4.3Å; I125-L616 HydrophobicContact CG2-CD2 4.15Å; I125-L616 HydrophobicContact CG2-CG 4.42Å; L134-L616 HydrophobicContact CD1-CD1 3.81Å; L614-L616 HydrophobicContact CD2-CD2 3.91Å; L614-L616 HydrophobicContact CG-CD2 3.99Å; L614-L616 PolarHBondContact O-N 3.34Å; L616-I640 HydrophobicContact CD1-CB 3.96Å; L616-I640 HydrophobicContact CD1-CD1 3.86Å; L616-I640 HydrophobicContact CD1-CG1 4.32Å; L616-I640 HydrophobicContact CD1-CG2 4.18Å; L616-I640 HydrophobicContact CG-CB 4.28Å; L616-T641 PolarHBondContact N-O 3.15Å; L616-F642 HydrophobicContact CB-CD1 4.02Å; L616-F642 HydrophobicContact CB-CE1 3.88Å; L616-F642 HydrophobicContact CB-CG 4.48Å; L616-F642 HydrophobicContact CB-CZ 4.23Å; L616-F642 HydrophobicContact CD1-CE1 4.13Å; L616-F642 HydrophobicContact CD1-CE2 3.83Å; L616-F642 HydrophobicContact CD1-CZ 3.62Å; L616-R643 PolarHBondContact O-N 3.3Å
617	I	90	Very high	82	Confident	27 Å²	27	63.3 Å²	63.3	14%	0.138	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.5	177.9	-64.8	179.9	0	0	0	109.6	E122 V123 N124 I125 R643 K645	E122-I617 HydrophobicContact CB-CD1 3.73Å; E122-I617 HydrophobicContact CB-CG1 4.22Å; E122-I617 VanDerWaalsContact CD-CD1 3.48Å; E122-I617 HydrophobicContact CG-CD1 4.15Å; E122-I617 WeakPolarHBondContact OE2-CD1 3.43Å; V123-I617 PolarHBondContact O-N 2.99Å; N124-I617 CarbonylContact C-O 3.33Å; N124-I617 WeakPolarHBondContact CA-O 3.27Å; I125-I617 WeakPolarHBondContact CG1-O 3.41Å; I125-I617 PolarHBondContact N-O 2.93Å; I617-R643 HydrophobicContact CG1-CB 4.22Å; I617-K645 HydrophobicContact CG2-CB 3.58Å; I617-K645 HydrophobicContact CG2-CD 3.76Å; I617-K645 HydrophobicContact CG2-CG 3.6Å
618	G	83.7	Confident	81.4	Confident	7 Å²	7	61.1 Å²	61.1	7%	0.072	32%	0.316	C	S	.	.	S	Bend	trans	158.6	-173.1	171.5	0	0	0	0	0	112.2
619	N	75.9	Confident	80.9	Confident	77 Å²	77	65.3 Å²	65.3	41%	0.412	33%	0.334	S	S	.	.			trans	-89.1	112.1	179.4	-173.7	4	0	0	0	111	T621 L622	N619-T621 VanDerWaalsContact CG-OG1 3.27Å; N619-T621 PolarHBondContact ND2-OG1 3.18Å; N619-T621 PolarHBondContact O-N 3.49Å; N619-T621 PolarHBondContact OD1-N 3.36Å; N619-T621 VanDerWaalsContact OD1-N 3.14Å; N619-T621 PolarHBondContact OD1-OG1 3.4Å; N619-L622 HydrophobicContact CB-CD1 4.21Å; N619-L622 PolarHBondContact O-N 2.88Å
620	K	68.4	Low	80.5	Confident	81 Å²	81	67.1 Å²	67.1	35%	0.352	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-58.6	-19.2	179.1	-164.7	167.7	-178.5	171.6	0	113.2	I623	K620-I623 HydrophobicContact CG-CD1 4.17Å; K620-I623 PolarHBondContact O-N 3.47Å
621	T	66.7	Low	80.1	Confident	115 Å²	115	60.2 Å²	60.2	71%	0.706	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-77.7	-12.2	176.5	71.5	0	0	0	0	114.8	N619	N619-T621 VanDerWaalsContact CG-OG1 3.27Å; N619-T621 PolarHBondContact ND2-OG1 3.18Å; N619-T621 PolarHBondContact O-N 3.49Å; N619-T621 PolarHBondContact OD1-N 3.36Å; N619-T621 VanDerWaalsContact OD1-N 3.14Å; N619-T621 PolarHBondContact OD1-OG1 3.4Å
622	L	62.6	Low	79.6	Confident	130 Å²	130	62.1 Å²	62.1	68%	0.681	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-74.3	-16	170.5	-99.5	78	0	0	0	112.2	N619	N619-L622 HydrophobicContact CB-CD1 4.21Å; N619-L622 PolarHBondContact O-N 2.88Å
623	I	67.4	Low	79.5	Confident	27 Å²	27	65 Å²	65	14%	0.138	33%	0.326	C	S	.	.	S	Bend	trans	-81.1	127	-174.2	-48.7	-179.2	0	0	0	109.4	I125 L134 K620 Q625 I631 F642	I125-I623 HydrophobicContact CD1-CD1 3.89Å; I125-I623 HydrophobicContact CD1-CG1 4.19Å; L134-I623 HydrophobicContact CD2-CD1 4.09Å; K620-I623 HydrophobicContact CG-CD1 4.17Å; K620-I623 PolarHBondContact O-N 3.47Å; I623-Q625 PolarHBondContact O-N 3.39Å; I623-I631 HydrophobicContact CB-CD1 4.45Å; I623-I631 HydrophobicContact CD1-CD1 3.49Å; I623-I631 VanDerWaalsContact CD1-CD1 3.49Å; I623-I631 HydrophobicContact CG1-CD1 4.48Å; I623-I631 HydrophobicContact CG2-CD1 3.61Å; I623-F642 HydrophobicContact CD1-CE1 4.08Å; I623-F642 HydrophobicContact CD1-CZ 3.75Å
624	N	70.5	Confident	79.1	Confident	91 Å²	91	63.6 Å²	63.6	49%	0.487	32%	0.316	S	S	.	.			trans	-53	131.5	174.9	-177.8	-10.8	0	0	0	110.7	Q626 Y627	N624-Q626 PolarHBondContact O-N 3.41Å; N624-Q626 VanDerWaalsContact O-N 3.08Å; N624-Q626 PolarHBondContact OD1-N 2.89Å; N624-Q626 VanDerWaalsContact OD1-N 3.14Å; N624-Y627 HydrophobicContact CB-CD2 3.97Å; N624-Y627 HydrophobicContact CB-CE2 4.4Å; N624-Y627 PolarHBondContact O-N 3.26Å
625	Q	71.9	Confident	78.8	Confident	171 Å²	171	66.5 Å²	66.5	80%	0.799	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-53.1	-32.4	-179.7	-74.9	-174.8	-25.3	0	0	113.1	I623 Y627 L628	I623-Q625 PolarHBondContact O-N 3.39Å; Q625-Y627 PolarHBondContact O-N 2.86Å; Q625-Y627 VanDerWaalsContact O-N 3.13Å; Q625-L628 VanDerWaalsContact O-CB 3.32Å; Q625-L628 WeakPolarHBondContact O-CB 3.47Å; Q625-L628 PolarHBondContact O-N 2.99Å; Q625-L628 VanDerWaalsContact O-N 3.09Å
626	Q	71.1	Confident	78.5	Confident	128 Å²	128	72.4 Å²	72.4	60%	0.598	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-59.3	-23	176.9	-168.4	176.4	15	0	0	113.7	N624	N624-Q626 PolarHBondContact O-N 3.41Å; N624-Q626 VanDerWaalsContact O-N 3.08Å; N624-Q626 PolarHBondContact OD1-N 2.89Å; N624-Q626 VanDerWaalsContact OD1-N 3.14Å
627	Y	75.8	Confident	78.2	Confident	53 Å²	53	74.3 Å²	74.3	21%	0.208	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-97.9	-4.7	179.7	-64.3	-43.2	0	0	0	114.2	I138 N624 Q625 E629 Y630 I631	I138-Y627 HydrophobicContact CD1-CG 4.48Å; I138-Y627 HydrophobicContact CG2-CD1 3.57Å; I138-Y627 HydrophobicContact CG2-CE1 4.06Å; I138-Y627 HydrophobicContact CG2-CG 4.2Å; N624-Y627 HydrophobicContact CB-CD2 3.97Å; N624-Y627 HydrophobicContact CB-CE2 4.4Å; N624-Y627 PolarHBondContact O-N 3.26Å; Q625-Y627 PolarHBondContact O-N 2.86Å; Q625-Y627 VanDerWaalsContact O-N 3.13Å; Y627-E629 VanDerWaalsContact C-N 3.3Å; Y627-E629 PolarHBondContact O-N 3.01Å; Y627-Y630 PolarHBondContact O-N 3.01Å; Y627-I631 PolarHBondContact O-N 3.36Å
628	L	77.9	Confident	78	Confident	82 Å²	82	77.2 Å²	77.2	43%	0.429	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-34.4	-176	-172	64.6	0	0	0	112.7	Q625 T632	Q625-L628 VanDerWaalsContact O-CB 3.32Å; Q625-L628 WeakPolarHBondContact O-CB 3.47Å; Q625-L628 PolarHBondContact O-N 2.99Å; Q625-L628 VanDerWaalsContact O-N 3.09Å; L628-T632 WeakPolarHBondContact O-CB 3.35Å; L628-T632 PolarHBondContact O-N 3.12Å; L628-T632 PolarHBondContact O-OG1 2.66Å
629	E	80.9	Confident	78.3	Confident	149 Å²	149	77 Å²	77	70%	0.696	39%	0.387	S	S	*	.	H	α-helix	trans	-64.2	-52.1	175.8	-173.6	177.7	-178.4	0	0	111.3	Y627 I631 T632 Y633	Y627-E629 VanDerWaalsContact C-N 3.3Å; Y627-E629 PolarHBondContact O-N 3.01Å; E629-I631 VanDerWaalsContact C-N 3.31Å; E629-I631 PolarHBondContact O-N 2.85Å; E629-T632 CarbonylContact O-C 3.51Å; E629-T632 WeakPolarHBondContact O-CA 3.43Å; E629-T632 WeakPolarHBondContact O-CB 3.48Å; E629-T632 PolarHBondContact O-N 3.19Å; E629-Y633 PolarHBondContact O-N 2.87Å
630	Y	81.4	Confident	79	Confident	59 Å²	59	73.4 Å²	73.4	23%	0.231	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-35.4	177.6	-63.2	-74.9	0	0	0	113	I138 K142 Y627 Y633 L634	I138-Y630 HydrophobicContact CG2-CD2 4.14Å; I138-Y630 HydrophobicContact CG2-CG 3.99Å; K142-Y630 HydrophobicContact CB-CD1 4.23Å; K142-Y630 HydrophobicContact CB-CE1 3.72Å; K142-Y630 HydrophobicContact CD-CE1 4.29Å; K142-Y630 HydrophobicContact CD-CE2 4.09Å; K142-Y630 WeakPolarHBondContact CD-OH 3.45Å; K142-Y630 WeakPolarHBondContact CE-OH 3.43Å; K142-Y630 HydrophobicContact CG-CE1 3.85Å; K142-Y630 WeakPolarHBondContact CG-OH 3.26Å; Y627-Y630 PolarHBondContact O-N 3.01Å; Y630-Y633 PolarHBondContact O-N 2.92Å; Y630-L634 WeakPolarHBondContact O-CB 3.37Å; Y630-L634 WeakPolarHBondContact O-CG 3.34Å; Y630-L634 PolarHBondContact O-N 3.08Å
631	I	82.5	Confident	80.1	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-42.5	171.1	-78.7	172.7	0	0	0	111.3	L134 I138 I623 Y627 E629 Y633 L634 Q635 I640 F642	L134-I631 HydrophobicContact CD2-CD1 4.35Å; I138-I631 HydrophobicContact CD1-CD1 4.1Å; I138-I631 HydrophobicContact CD1-CG1 3.81Å; I138-I631 HydrophobicContact CG1-CG1 4.47Å; I623-I631 HydrophobicContact CB-CD1 4.45Å; I623-I631 HydrophobicContact CD1-CD1 3.49Å; I623-I631 VanDerWaalsContact CD1-CD1 3.49Å; I623-I631 HydrophobicContact CG1-CD1 4.48Å; I623-I631 HydrophobicContact CG2-CD1 3.61Å; Y627-I631 PolarHBondContact O-N 3.36Å; E629-I631 VanDerWaalsContact C-N 3.31Å; E629-I631 PolarHBondContact O-N 2.85Å; I631-Y633 VanDerWaalsContact C-N 3.3Å; I631-Y633 PolarHBondContact O-N 2.86Å; I631-L634 PolarHBondContact O-N 2.74Å; I631-Q635 HydrophobicContact CG2-CG 4.42Å; I631-Q635 WeakPolarHBondContact O-CB 3.3Å; I631-Q635 VanDerWaalsContact O-CG 3.3Å; I631-Q635 WeakPolarHBondContact O-CG 3.48Å; I631-Q635 PolarHBondContact O-N 3.09Å; I631-I640 HydrophobicContact CG2-CD1 4.41Å; I631-F642 HydrophobicContact CD1-CE2 4.28Å; I631-F642 HydrophobicContact CD1-CZ 4.27Å; I631-F642 HydrophobicContact CG1-CE2 4.4Å; I631-F642 HydrophobicContact CG2-CD2 4.1Å; I631-F642 HydrophobicContact CG2-CE2 3.58Å; I631-F642 HydrophobicContact CG2-CZ 4.49Å
632	T	83.7	Confident	81	Confident	57 Å²	57	68.1 Å²	68.1	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-39.2	177.7	-54.3	0	0	0	0	110.6	L628 E629 Q635 N636	L628-T632 WeakPolarHBondContact O-CB 3.35Å; L628-T632 PolarHBondContact O-N 3.12Å; L628-T632 PolarHBondContact O-OG1 2.66Å; E629-T632 CarbonylContact O-C 3.51Å; E629-T632 WeakPolarHBondContact O-CA 3.43Å; E629-T632 WeakPolarHBondContact O-CB 3.48Å; E629-T632 PolarHBondContact O-N 3.19Å; T632-Q635 PolarHBondContact O-N 3.47Å; T632-N636 WeakPolarHBondContact O-CB 3.33Å; T632-N636 PolarHBondContact O-N 2.99Å; T632-N636 PolarHBondContact O-ND2 3.22Å; T632-N636 PolarHBondContact O-OD1 3.25Å
633	Y	85.5	Confident	81.7	Confident	71 Å²	71	68.6 Å²	68.6	28%	0.278	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-49.7	170.1	176.8	-86.1	0	0	0	112.6	V141 N145 I146 E629 Y630 I631 Q635 N636 S637 M639	V141-Y633 HydrophobicContact CG1-CD1 3.57Å; V141-Y633 HydrophobicContact CG1-CE1 3.5Å; V141-Y633 VanDerWaalsContact CG1-CE1 3.5Å; N145-Y633 PolarHBondContact OD1-OH 3.02Å; I146-Y633 PolarHBondContact O-OH 3.27Å; E629-Y633 PolarHBondContact O-N 2.87Å; Y630-Y633 PolarHBondContact O-N 2.92Å; I631-Y633 VanDerWaalsContact C-N 3.3Å; I631-Y633 PolarHBondContact O-N 2.86Å; Y633-Q635 VanDerWaalsContact C-N 3.27Å; Y633-Q635 PolarHBondContact O-N 3.23Å; Y633-N636 PolarHBondContact O-N 3.34Å; Y633-N636 VanDerWaalsContact O-N 3.17Å; Y633-S637 WeakPolarHBondContact O-CB 3.42Å; Y633-S637 PolarHBondContact O-N 3.13Å; Y633-S637 PolarHBondContact O-OG 3.14Å; Y633-S637 VanDerWaalsContact O-OG 3.13Å; Y633-M639 HydrophobicContact CD1-CE 4.37Å; Y633-M639 HydrophobicContact CE1-CE 3.79Å
634	L	85.6	Confident	81.7	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-35.8	177.8	-78.3	163.2	0	0	0	112.4	I138 V141 L152 Y630 I631 M639 I640	I138-L634 HydrophobicContact CG1-CD1 3.76Å; V141-L634 HydrophobicContact CG2-CD2 3.81Å; L152-L634 HydrophobicContact CD2-CD2 3.83Å; Y630-L634 WeakPolarHBondContact O-CB 3.37Å; Y630-L634 WeakPolarHBondContact O-CG 3.34Å; Y630-L634 PolarHBondContact O-N 3.08Å; I631-L634 PolarHBondContact O-N 2.74Å; L634-M639 HydrophobicContact CD2-CB 3.99Å; L634-M639 HydrophobicContact CD2-CE 3.89Å; L634-M639 HydrophobicContact CD2-SD 4.06Å; L634-M639 PolarHBondContact O-N 3.14Å; L634-I640 HydrophobicContact CB-CD1 3.46Å; L634-I640 VanDerWaalsContact CB-CD1 3.46Å; L634-I640 HydrophobicContact CB-CG1 3.7Å; L634-I640 HydrophobicContact CB-CG2 4.3Å; L634-I640 HydrophobicContact CD1-CD1 3.96Å; L634-I640 HydrophobicContact CD2-CG2 4.44Å; L634-I640 HydrophobicContact CG-CD1 4.31Å; L634-I640 PolarHBondContact O-N 3.35Å
635	Q	87.9	Confident	81.2	Confident	61 Å²	61	82.3 Å²	82.3	29%	0.285	39%	0.387	S	S	.	.	H	α-helix	trans	-70.4	-45.3	173.7	-69.9	-168.4	-99.1	0	0	111.5	I631 T632 Y633 S637 N638 I640 F642	I631-Q635 HydrophobicContact CG2-CG 4.42Å; I631-Q635 WeakPolarHBondContact O-CB 3.3Å; I631-Q635 VanDerWaalsContact O-CG 3.3Å; I631-Q635 WeakPolarHBondContact O-CG 3.48Å; I631-Q635 PolarHBondContact O-N 3.09Å; T632-Q635 PolarHBondContact O-N 3.47Å; Y633-Q635 VanDerWaalsContact C-N 3.27Å; Y633-Q635 PolarHBondContact O-N 3.23Å; Q635-S637 VanDerWaalsContact C-N 3.35Å; Q635-S637 PolarHBondContact O-N 2.92Å; Q635-N638 PolarHBondContact O-N 3.38Å; Q635-I640 HydrophobicContact CG-CD1 4.27Å; Q635-I640 HydrophobicContact CG-CG1 3.8Å; Q635-F642 HydrophobicContact CG-CD2 4.28Å
636	N	87.1	Confident	81.6	Confident	133 Å²	133	77.9 Å²	77.9	71%	0.711	37%	0.366	S	S	*	.	H	α-helix	trans	-66	-34.8	179.5	-70.3	-10.7	0	0	0	112.8	T632 Y633 N638	T632-N636 WeakPolarHBondContact O-CB 3.33Å; T632-N636 PolarHBondContact O-N 2.99Å; T632-N636 PolarHBondContact O-ND2 3.22Å; T632-N636 PolarHBondContact O-OD1 3.25Å; Y633-N636 PolarHBondContact O-N 3.34Å; Y633-N636 VanDerWaalsContact O-N 3.17Å; N636-N638 PolarHBondContact O-N 3.38Å
637	S	85.2	Confident	82.2	Confident	41 Å²	41	75.3 Å²	75.3	29%	0.287	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	7.6	172.6	-56.6	0	0	0	0	113.4	Y633 Q635 M639	Y633-S637 WeakPolarHBondContact O-CB 3.42Å; Y633-S637 PolarHBondContact O-N 3.13Å; Y633-S637 PolarHBondContact O-OG 3.14Å; Y633-S637 VanDerWaalsContact O-OG 3.13Å; Q635-S637 VanDerWaalsContact C-N 3.35Å; Q635-S637 PolarHBondContact O-N 2.92Å; S637-M639 PolarHBondContact O-N 3.08Å; S637-M639 VanDerWaalsContact O-N 3.1Å
638	N	85.8	Confident	82.6	Confident	89 Å²	89	76.5 Å²	76.5	48%	0.476	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	29.4	-178.2	-163	42.1	0	0	0	114.1	P613 Q635 N636	P613-N638 WeakPolarHBondContact CA-O 3.45Å; P613-N638 WeakPolarHBondContact CB-O 3.44Å; P613-N638 WeakPolarHBondContact CD-OD1 3.39Å; P613-N638 WeakPolarHBondContact CG-OD1 3.43Å; Q635-N638 PolarHBondContact O-N 3.38Å; N636-N638 PolarHBondContact O-N 3.38Å
639	M	89.7	Confident	82.8	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.005	36%	0.358	C	S	.	.	S	Bend	trans	-86.3	-35.1	177.8	-69.4	-166.5	-98.1	0	0	112.1	V141 I146 S148 L149 L152 L614 Y633 L634 S637	V141-M639 HydrophobicContact CG2-CE 4.42Å; I146-M639 HydrophobicContact CG2-SD 4.35Å; I146-M639 WeakPolarHBondContact O-CE 3.41Å; S148-M639 VanDerWaalsContact C-SD 3.53Å; L149-M639 HydrophobicContact CB-CB 4.43Å; L149-M639 HydrophobicContact CB-CG 4.45Å; L152-M639 HydrophobicContact CB-SD 4.49Å; L152-M639 HydrophobicContact CD2-SD 3.91Å; L614-M639 WeakPolarHBondContact CB-O 3.46Å; L614-M639 PolarHBondContact N-O 3.05Å; Y633-M639 HydrophobicContact CD1-CE 4.37Å; Y633-M639 HydrophobicContact CE1-CE 3.79Å; L634-M639 HydrophobicContact CD2-CB 3.99Å; L634-M639 HydrophobicContact CD2-CE 3.89Å; L634-M639 HydrophobicContact CD2-SD 4.06Å; L634-M639 PolarHBondContact O-N 3.14Å; S637-M639 PolarHBondContact O-N 3.08Å; S637-M639 VanDerWaalsContact O-N 3.1Å
640	I	91.6	Very high	83	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.2	176.3	75.3	-174.1	0	0	0	110.9	M137 L614 L616 I631 L634 Q635 F642	M137-I640 HydrophobicContact CE-CG2 3.75Å; L614-I640 HydrophobicContact CB-CG2 4.41Å; L614-I640 CarbonylContact O-C 3.59Å; L614-I640 WeakPolarHBondContact O-CA 3.32Å; L616-I640 HydrophobicContact CD1-CB 3.96Å; L616-I640 HydrophobicContact CD1-CD1 3.86Å; L616-I640 HydrophobicContact CD1-CG1 4.32Å; L616-I640 HydrophobicContact CD1-CG2 4.18Å; L616-I640 HydrophobicContact CG-CB 4.28Å; I631-I640 HydrophobicContact CG2-CD1 4.41Å; L634-I640 HydrophobicContact CB-CD1 3.46Å; L634-I640 VanDerWaalsContact CB-CD1 3.46Å; L634-I640 HydrophobicContact CB-CG1 3.7Å; L634-I640 HydrophobicContact CB-CG2 4.3Å; L634-I640 HydrophobicContact CD1-CD1 3.96Å; L634-I640 HydrophobicContact CD2-CG2 4.44Å; L634-I640 HydrophobicContact CG-CD1 4.31Å; L634-I640 PolarHBondContact O-N 3.35Å; Q635-I640 HydrophobicContact CG-CD1 4.27Å; Q635-I640 HydrophobicContact CG-CG1 3.8Å; I640-F642 HydrophobicContact CD1-CD2 4.23Å; I640-F642 HydrophobicContact CD1-CE2 3.69Å; I640-F642 HydrophobicContact CG1-CE2 4.44Å
641	T	90.8	Very high	83.1	Confident	48 Å²	48	72.5 Å²	72.5	29%	0.294	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.7	169.2	-172.9	0	0	0	0	109.8	P613 L614 P615 L616	P613-T641 HydrophobicContact CB-CG2 4.06Å; P613-T641 HydrophobicContact CG-CG2 3.7Å; L614-T641 PolarHBondContact O-N 3.06Å; P615-T641 HydrophobicContact CB-CG2 4.02Å; L616-T641 PolarHBondContact N-O 3.15Å
642	F	85.8	Confident	83.1	Confident	36 Å²	36	77.6 Å²	77.6	16%	0.158	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.6	-178.5	-93.1	-78.9	0	0	0	110.7	I125 L134 L616 I623 I631 Q635 I640	I125-F642 HydrophobicContact CD1-CE1 3.75Å; I125-F642 HydrophobicContact CD1-CZ 4.36Å; I125-F642 HydrophobicContact CG1-CE1 4.4Å; L134-F642 HydrophobicContact CD2-CZ 4.16Å; L616-F642 HydrophobicContact CB-CD1 4.02Å; L616-F642 HydrophobicContact CB-CE1 3.88Å; L616-F642 HydrophobicContact CB-CG 4.48Å; L616-F642 HydrophobicContact CB-CZ 4.23Å; L616-F642 HydrophobicContact CD1-CE1 4.13Å; L616-F642 HydrophobicContact CD1-CE2 3.83Å; L616-F642 HydrophobicContact CD1-CZ 3.62Å; I623-F642 HydrophobicContact CD1-CE1 4.08Å; I623-F642 HydrophobicContact CD1-CZ 3.75Å; I631-F642 HydrophobicContact CD1-CE2 4.28Å; I631-F642 HydrophobicContact CD1-CZ 4.27Å; I631-F642 HydrophobicContact CG1-CE2 4.4Å; I631-F642 HydrophobicContact CG2-CD2 4.1Å; I631-F642 HydrophobicContact CG2-CE2 3.58Å; I631-F642 HydrophobicContact CG2-CZ 4.49Å; Q635-F642 HydrophobicContact CG-CD2 4.28Å; I640-F642 HydrophobicContact CD1-CD2 4.23Å; I640-F642 HydrophobicContact CD1-CE2 3.69Å; I640-F642 HydrophobicContact CG1-CE2 4.44Å
643	R	78.6	Confident	83.1	Confident	141 Å²	141	79.2 Å²	79.2	53%	0.532	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.5	168.2	-67.8	177.6	174.9	179	-4.1	108.7	E122 L616 I617	E122-R643 IonicContact OE1-CZ 3.75Å; E122-R643 IonicContact OE1-NE 2.77Å; E122-R643 IonicContact OE1-NH1 3.45Å; E122-R643 PolarHBondContact OE1-NH1 2.93Å; L616-R643 PolarHBondContact O-N 3.3Å; I617-R643 HydrophobicContact CG1-CB 4.22Å
644	K	66.8	Low	82.8	Confident	202 Å²	202	79.9 Å²	79.9	88%	0.878	38%	0.377	S	S	*	.			trans	-64.4	135.2	165	-90.5	-173.1	172	-178.1	0	107.9
645	K	59.3	Low	82.6	Confident	204 Å²	204	87.2 Å²	87.2	89%	0.887	41%	0.412	S	S	*	.			trans	-78	0	170.8	-158.4	174.6	-172.6	173.6	0	110.6	I617	I617-K645 HydrophobicContact CG2-CB 3.58Å; I617-K645 HydrophobicContact CG2-CD 3.76Å; I617-K645 HydrophobicContact CG2-CG 3.6Å

Retrieved 645 of 645 residues in 1281.2 ms (Link to these results)

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