A0A5K4EZ06_SCHMA Loading...

Selenoprotein O AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EZ06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	39.1	Very low	215 Å²	215	93.3 Å²	93.3	100%	1.059	47%	0.471	S	S	*	.				0	139.6	0	-78.1	176.5	-178	0	0	109.3
2	H	39	Very low	39.7	Very low	130 Å²	130	85.9 Å²	85.9	60%	0.602	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-101.2	129.9	163.6	-71.2	-37.2	0	0	0	107.9	V68	H2-V68 HydrophobicContact CB-CG1 3.78Å
3	H	46.8	Very low	40.6	Very low	71 Å²	71	86.2 Å²	86.2	33%	0.329	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.2	170.4	-72.2	-64.7	0	0	0	108.1	A69 K70 Y107	H3-A69 PolarHBondContact N-O 3.49Å; H3-A69 PolarHBondContact O-N 3.25Å; H3-A69 VanDerWaalsContact O-O 3.11Å; H3-K70 PolarHBondContact CD2-O 3.31Å; H3-Y107 PolarHBondContact NE2-OH 3.1Å
4	I	42.4	Very low	41.4	Very low	97 Å²	97	86.5 Å²	86.5	50%	0.497	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.7	168.8	-59.9	175.1	0	0	0	106	Y6 V68	I4-Y6 HydrophobicContact CG2-CD2 4.39Å; I4-Y6 HydrophobicContact CG2-CE1 4.43Å; I4-Y6 HydrophobicContact CG2-CE2 3.91Å; I4-V68 HydrophobicContact CG1-CG2 4.36Å
5	T	43.4	Very low	42.3	Very low	53 Å²	53	80.9 Å²	80.9	33%	0.325	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.5	171.9	-51	0	0	0	0	108.4	R7 R67 F72	T5-R7 PolarHBondContact O-N 3.14Å; T5-R67 PolarHBondContact N-O 3.33Å; T5-R67 VanDerWaalsContact N-O 3.14Å; T5-R67 PolarHBondContact O-N 3.41Å; T5-F72 WeakPolarHBondContact OG1-CD2 3.4Å; T5-F72 VanDerWaalsContact OG1-CE2 3.25Å; T5-F72 WeakPolarHBondContact OG1-CE2 3.42Å
6	Y	32.5	Very low	43.6	Very low	171 Å²	171	77.7 Å²	77.7	67%	0.671	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	111.3	166.9	-61.8	-80.3	0	0	0	107.4	I4	I4-Y6 HydrophobicContact CG2-CD2 4.39Å; I4-Y6 HydrophobicContact CG2-CE1 4.43Å; I4-Y6 HydrophobicContact CG2-CE2 3.91Å
7	R	39.3	Very low	45.1	Very low	85 Å²	85	73.1 Å²	73.1	32%	0.321	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	102.1	164.1	-153.1	174.2	-171.8	-179.9	4.1	105.8	T5 R9 D169	T5-R7 PolarHBondContact O-N 3.14Å; R7-R9 PolarHBondContact O-N 3.28Å; R7-D169 IonicContact CZ-OD2 2.86Å; R7-D169 IonicContact NH1-OD1 3.55Å; R7-D169 PolarHBondContact NH1-OD1 3.32Å; R7-D169 IonicContact NH1-OD2 2.64Å; R7-D169 PolarHBondContact NH1-OD2 2.8Å; R7-D169 IonicContact NH2-OD2 3.06Å
8	A	32.5	Very low	46.7	Very low	77 Å²	77	70.8 Å²	70.8	64%	0.636	35%	0.346	S	S	*	.			trans	-62.5	99.4	155.8	0	0	0	0	0	105.4
9	R	39.5	Very low	48.2	Very low	44 Å²	44	67.4 Å²	67.4	17%	0.166	33%	0.329	C	S	.	.			trans	-72	149.6	159.8	-77.9	-172.3	170.8	-179.2	-3.7	106.1	R7 I12 C20 Y170	R7-R9 PolarHBondContact O-N 3.28Å; R9-I12 HydrophobicContact CB-CD1 3.74Å; R9-I12 HydrophobicContact CG-CD1 4.44Å; R9-C20 PolarHBondContact NH1-SG 3.46Å; R9-Y170 PolarHBondContact NH1-O 3.46Å; R9-Y170 PolarHBondContact NH2-O 2.87Å
10	S	39.3	Very low	49.7	Very low	67 Å²	67	64.3 Å²	64.3	47%	0.469	31%	0.314	S	S	.	.	S	Bend	trans	-41.7	136.7	161.9	179	0	0	0	0	107.8	I12 R49	S10-I12 WeakPolarHBondContact O-CD1 3.46Å; S10-I12 VanDerWaalsContact O-CG1 3.29Å; S10-I12 WeakPolarHBondContact O-CG1 3.4Å; S10-I12 PolarHBondContact O-N 2.86Å; S10-R49 WeakPolarHBondContact OG-CD 3.31Å; S10-R49 PolarHBondContact OG-NE 2.67Å
11	P	36.7	Very low	51.3	Low	16 Å²	16	62.3 Å²	62.3	10%	0.104	31%	0.306	C	S	.	.			trans	-48.1	136	-178.5	-38.3	44.9	0	0	0	111.4	V47 R49 E60 A62	P11-V47 HydrophobicContact CB-CB 4.31Å; P11-V47 HydrophobicContact CB-CG1 4.39Å; P11-V47 HydrophobicContact CB-CG2 3.12Å; P11-V47 HydrophobicContact CG-CB 3.9Å; P11-V47 HydrophobicContact CG-CG1 3.48Å; P11-V47 VanDerWaalsContact CG-CG1 3.48Å; P11-V47 HydrophobicContact CG-CG2 3.18Å; P11-R49 PolarHBondContact O-NE 3.04Å; P11-E60 HydrophobicContact CB-CG 4.43Å; P11-A62 HydrophobicContact CB-CB 4.14Å; P11-A62 VanDerWaalsContact CG-CA 3.49Å; P11-A62 HydrophobicContact CG-CB 3.49Å; P11-A62 VanDerWaalsContact CG-CB 3.49Å
12	I	45.6	Very low	53.6	Low	5 Å²	5	53 Å²	53	3%	0.026	26%	0.259	C	S	.	.			trans	-130.5	134	178.8	-72.7	151.4	0	0	0	100.7	R9 S10 K14 R16 L17 E60 C502	R9-I12 HydrophobicContact CB-CD1 3.74Å; R9-I12 HydrophobicContact CG-CD1 4.44Å; S10-I12 WeakPolarHBondContact O-CD1 3.46Å; S10-I12 VanDerWaalsContact O-CG1 3.29Å; S10-I12 WeakPolarHBondContact O-CG1 3.4Å; S10-I12 PolarHBondContact O-N 2.86Å; I12-K14 PolarHBondContact O-N 3.04Å; I12-R16 HydrophobicContact CG2-CB 3.17Å; I12-R16 HydrophobicContact CG2-CG 4.35Å; I12-L17 HydrophobicContact CB-CD2 4.2Å; I12-L17 HydrophobicContact CB-CG 4.02Å; I12-L17 HydrophobicContact CD1-CD2 3.7Å; I12-L17 HydrophobicContact CD1-CG 4.44Å; I12-L17 HydrophobicContact CG2-CD2 4.27Å; I12-L17 HydrophobicContact CG2-CG 4.05Å; I12-E60 WeakPolarHBondContact CA-OE1 3.47Å; I12-C502 WeakPolarHBondContact CD1-O 3.46Å; I12-C502 WeakPolarHBondContact CG1-O 3.37Å
13	R	51.5	Low	55.9	Low	90 Å²	90	46.8 Å²	46.8	34%	0.34	23%	0.231	S	C	.	.			trans	-35	133.2	170.6	-68.7	-162	177.9	178.1	1.2	110.2	A15 R16 L17 E60 D451	R13-A15 PolarHBondContact O-N 3.07Å; R13-R16 HydrophobicContact CB-CB 4.46Å; R13-R16 HydrophobicContact CB-CG 4.33Å; R13-R16 WeakPolarHBondContact O-CA 3.29Å; R13-R16 WeakPolarHBondContact O-CB 3.42Å; R13-R16 PolarHBondContact O-N 2.96Å; R13-L17 PolarHBondContact O-N 3.15Å; R13-E60 WeakPolarHBondContact CG-OE2 3.4Å; R13-E60 PolarHBondContact N-OE2 3.02Å; R13-D451 IonicContact CZ-OD2 3.79Å; R13-D451 IonicContact NH1-OD2 4Å; R13-D451 PolarHBondContact NH1-OD2 2.98Å
14	K	51.9	Low	58	Low	90 Å²	90	43.5 Å²	43.5	39%	0.391	22%	0.215	S	C	.	.	H	α-helix	trans	-40.7	-44.2	176.5	177.1	178.4	179.5	-170.2	0	111.9	I12 R16 L17 L18 T42 Y455	I12-K14 PolarHBondContact O-N 3.04Å; K14-R16 VanDerWaalsContact C-N 3.35Å; K14-R16 PolarHBondContact O-N 2.81Å; K14-L17 PolarHBondContact O-N 2.9Å; K14-L18 PolarHBondContact O-N 2.98Å; K14-L18 VanDerWaalsContact O-N 3.15Å; K14-T42 HydrophobicContact CB-CG2 4.32Å; K14-T42 WeakPolarHBondContact CB-OG1 3.35Å; K14-T42 WeakPolarHBondContact CD-OG1 3.46Å; K14-T42 VanDerWaalsContact CG-OG1 3.23Å; K14-T42 WeakPolarHBondContact CG-OG1 3.1Å; K14-Y455 PolarHBondContact NZ-OH 2.83Å
15	A	54.7	Low	60.3	Low	2 Å²	2	40.7 Å²	40.7	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-30.6	178.3	0	0	0	0	0	115	R13 L18 F19 I447 A450	R13-A15 PolarHBondContact O-N 3.07Å; A15-L18 WeakPolarHBondContact O-CB 3.28Å; A15-L18 PolarHBondContact O-N 3.04Å; A15-F19 PolarHBondContact O-N 3.2Å; A15-I447 HydrophobicContact CB-CB 3.99Å; A15-I447 HydrophobicContact CB-CG1 3.88Å; A15-I447 HydrophobicContact CB-CG2 3.74Å; A15-I447 WeakPolarHBondContact O-CG1 3.36Å; A15-A450 HydrophobicContact CB-CB 4.2Å
16	R	64.5	Low	62.7	Low	30 Å²	30	38.2 Å²	38.2	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-85.8	-29.2	179.4	-74.6	177.9	-176.3	-170.9	-0.6	113.3	I12 R13 K14 L18 F19 C20 M51 I447 S504	I12-R16 HydrophobicContact CG2-CB 3.17Å; I12-R16 HydrophobicContact CG2-CG 4.35Å; R13-R16 HydrophobicContact CB-CB 4.46Å; R13-R16 HydrophobicContact CB-CG 4.33Å; R13-R16 WeakPolarHBondContact O-CA 3.29Å; R13-R16 WeakPolarHBondContact O-CB 3.42Å; R13-R16 PolarHBondContact O-N 2.96Å; K14-R16 VanDerWaalsContact C-N 3.35Å; K14-R16 PolarHBondContact O-N 2.81Å; R16-L18 VanDerWaalsContact C-N 3.25Å; R16-F19 WeakPolarHBondContact O-CB 3.36Å; R16-F19 PolarHBondContact O-N 3.22Å; R16-C20 PolarHBondContact O-N 2.92Å; R16-M51 VanDerWaalsContact CZ-SD 3.53Å; R16-M51 PolarHBondContact NH1-SD 2.91Å; R16-M51 PolarHBondContact NH2-SD 3.46Å; R16-I447 HydrophobicContact CG-CD1 3.89Å; R16-I447 HydrophobicContact CG-CG1 4.46Å; R16-S504 PolarHBondContact NH1-O 3.1Å; R16-S504 PolarHBondContact NH1-OXT 2.81Å
17	L	69.1	Low	65.7	Low	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-33.7	164.8	-75.4	-175.3	0	0	0	111.2	I12 R13 K14 F19 C20 V21 I40 S63 T65	I12-L17 HydrophobicContact CB-CD2 4.2Å; I12-L17 HydrophobicContact CB-CG 4.02Å; I12-L17 HydrophobicContact CD1-CD2 3.7Å; I12-L17 HydrophobicContact CD1-CG 4.44Å; I12-L17 HydrophobicContact CG2-CD2 4.27Å; I12-L17 HydrophobicContact CG2-CG 4.05Å; R13-L17 PolarHBondContact O-N 3.15Å; K14-L17 PolarHBondContact O-N 2.9Å; L17-F19 PolarHBondContact O-N 3.46Å; L17-C20 WeakPolarHBondContact O-CB 3.34Å; L17-C20 PolarHBondContact O-N 3.43Å; L17-C20 VanDerWaalsContact O-N 3.13Å; L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 3.14Å; L17-I40 HydrophobicContact CB-CD1 4.4Å; L17-I40 HydrophobicContact CB-CG2 4.01Å; L17-I40 HydrophobicContact CD1-CG2 4.15Å; L17-S63 WeakPolarHBondContact CD1-O 3.31Å; L17-T65 HydrophobicContact CD2-CG2 4.03Å
18	L	73	Confident	68.4	Low	32 Å²	32	32.1 Å²	32.1	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-55.1	-41.2	172.7	-163.3	66.5	0	0	0	110.9	K14 A15 R16 V21 Y22 I40 A458	K14-L18 PolarHBondContact O-N 2.98Å; K14-L18 VanDerWaalsContact O-N 3.15Å; A15-L18 WeakPolarHBondContact O-CB 3.28Å; A15-L18 PolarHBondContact O-N 3.04Å; R16-L18 VanDerWaalsContact C-N 3.25Å; L18-V21 CarbonylContact O-C 3.44Å; L18-V21 PolarHBondContact O-N 3.03Å; L18-V21 VanDerWaalsContact O-N 3.14Å; L18-Y22 HydrophobicContact CD1-CD1 4.03Å; L18-Y22 HydrophobicContact CD1-CE1 3.31Å; L18-Y22 HydrophobicContact CD2-CE1 4.28Å; L18-Y22 HydrophobicContact CD2-CE2 4.14Å; L18-Y22 HydrophobicContact CG-CD1 3.98Å; L18-Y22 HydrophobicContact CG-CD2 4.46Å; L18-Y22 HydrophobicContact CG-CE1 3.51Å; L18-Y22 HydrophobicContact CG-CE2 4Å; L18-Y22 HydrophobicContact CG-CG 4.45Å; L18-Y22 WeakPolarHBondContact O-CB 3.36Å; L18-Y22 VanDerWaalsContact O-CD1 3.23Å; L18-Y22 WeakPolarHBondContact O-CD1 3.45Å; L18-Y22 PolarHBondContact O-N 2.93Å; L18-I40 HydrophobicContact CB-CD1 4.38Å; L18-I40 HydrophobicContact CD1-CD1 3.94Å; L18-A458 HydrophobicContact CD2-CB 3.69Å
19	F	75.8	Confident	71.5	Confident	6 Å²	6	32.2 Å²	32.2	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-46.6	174.9	179.2	-122	0	0	0	113.1	A15 R16 L17 V21 Y22 T23 F173 L438 A443 V500	A15-F19 PolarHBondContact O-N 3.2Å; R16-F19 WeakPolarHBondContact O-CB 3.36Å; R16-F19 PolarHBondContact O-N 3.22Å; L17-F19 PolarHBondContact O-N 3.46Å; F19-V21 VanDerWaalsContact C-N 3.27Å; F19-V21 PolarHBondContact O-N 3.43Å; F19-Y22 PolarHBondContact O-N 3.43Å; F19-T23 WeakPolarHBondContact O-CB 3.2Å; F19-T23 PolarHBondContact O-N 3.41Å; F19-T23 PolarHBondContact O-OG1 3.1Å; F19-F173 AromaticContact CD1-CE1 3.96Å; F19-F173 HydrophobicContact CD1-CE1 3.96Å; F19-F173 AromaticContact CD1-CZ 3.56Å; F19-F173 HydrophobicContact CD1-CZ 3.56Å; F19-F173 HydrophobicContact CD2-CZ 4.41Å; F19-F173 HydrophobicContact CE1-CD1 4.47Å; F19-F173 AromaticContact CE1-CE1 3.47Å; F19-F173 HydrophobicContact CE1-CE1 3.47Å; F19-F173 VanDerWaalsContact CE1-CE1 3.47Å; F19-F173 AromaticContact CE1-CE2 3.67Å; F19-F173 HydrophobicContact CE1-CE2 3.67Å; F19-F173 AromaticContact CE1-CZ 2.98Å; F19-F173 HydrophobicContact CE1-CZ 2.98Å; F19-F173 HydrophobicContact CE2-CE2 4.09Å; F19-F173 AromaticContact CE2-CZ 3.94Å; F19-F173 HydrophobicContact CE2-CZ 3.94Å; F19-F173 HydrophobicContact CG-CZ 4.26Å; F19-F173 HydrophobicContact CZ-CD2 4.43Å; F19-F173 HydrophobicContact CZ-CE1 4.12Å; F19-F173 AromaticContact CZ-CE2 3.4Å; F19-F173 HydrophobicContact CZ-CE2 3.4Å; F19-F173 VanDerWaalsContact CZ-CE2 3.4Å; F19-F173 AromaticContact CZ-CZ 3.21Å; F19-F173 HydrophobicContact CZ-CZ 3.21Å; F19-L438 HydrophobicContact CD2-CD1 4.19Å; F19-L438 HydrophobicContact CD2-CD2 3.73Å; F19-L438 HydrophobicContact CD2-CG 4.1Å; F19-L438 HydrophobicContact CE2-CD1 4.08Å; F19-L438 HydrophobicContact CE2-CD2 3.64Å; F19-L438 HydrophobicContact CE2-CG 3.67Å; F19-A443 HydrophobicContact CD2-CB 3.18Å; F19-A443 HydrophobicContact CE2-CB 3.17Å; F19-A443 HydrophobicContact CG-CB 4.12Å; F19-A443 HydrophobicContact CZ-CB 4.1Å; F19-V500 HydrophobicContact CD1-CB 4.46Å; F19-V500 HydrophobicContact CD1-CG1 3.58Å; F19-V500 HydrophobicContact CE1-CB 3.81Å; F19-V500 HydrophobicContact CE1-CG1 3.42Å; F19-V500 VanDerWaalsContact CE1-CG1 3.42Å; F19-V500 HydrophobicContact CE2-CG1 4.42Å; F19-V500 HydrophobicContact CG-CG1 4.13Å; F19-V500 HydrophobicContact CZ-CB 3.95Å; F19-V500 HydrophobicContact CZ-CG1 3.89Å
20	C	77.3	Confident	74.2	Confident	4 Å²	4	30.8 Å²	30.8	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-40.1	173.2	-97.2	0	0	0	0	112.5	R9 R16 L17 Q24 Y170 C502	R9-C20 PolarHBondContact NH1-SG 3.46Å; R16-C20 PolarHBondContact O-N 2.92Å; L17-C20 WeakPolarHBondContact O-CB 3.34Å; L17-C20 PolarHBondContact O-N 3.43Å; L17-C20 VanDerWaalsContact O-N 3.13Å; C20-Q24 WeakPolarHBondContact O-CG 3.4Å; C20-Q24 PolarHBondContact O-N 3.33Å; C20-Q24 PolarHBondContact O-NE2 3.47Å; C20-Y170 PolarHBondContact SG-O 3.01Å; C20-C502 HydrophobicContact CB-CB 4.44Å; C20-C502 WeakPolarHBondContact CB-SG 3.42Å; C20-C502 WeakPolarHBondContact SG-CB 3.38Å; C20-C502 CovalentContact SG-SG 2.04Å; C20-C502 PolarHBondContact SG-SG 2.96Å
21	V	83.8	Confident	77	Confident	23 Å²	23	29.9 Å²	29.9	14%	0.139	14%	0.143	C	C	.	.	H	α-helix	trans	-71.1	-41.3	177.9	170.3	0	0	0	0	111.9	L17 L18 F19 T23 Q24 K25 A37 I40	L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 3.14Å; L18-V21 CarbonylContact O-C 3.44Å; L18-V21 PolarHBondContact O-N 3.03Å; L18-V21 VanDerWaalsContact O-N 3.14Å; F19-V21 VanDerWaalsContact C-N 3.27Å; F19-V21 PolarHBondContact O-N 3.43Å; V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.41Å; V21-Q24 WeakPolarHBondContact O-CB 3.48Å; V21-Q24 PolarHBondContact O-N 2.97Å; V21-K25 PolarHBondContact O-N 3.07Å; V21-A37 HydrophobicContact CB-CB 3.9Å; V21-A37 HydrophobicContact CG1-CB 3.77Å; V21-A37 HydrophobicContact CG2-CB 3.28Å; V21-I40 HydrophobicContact CB-CD1 3.82Å; V21-I40 HydrophobicContact CB-CG1 4.41Å; V21-I40 HydrophobicContact CG1-CD1 4.34Å; V21-I40 HydrophobicContact CG2-CD1 3.3Å; V21-I40 HydrophobicContact CG2-CG1 3.45Å; V21-I40 VanDerWaalsContact CG2-CG1 3.45Å
22	Y	87.6	Confident	79.9	Confident	20 Å²	20	29.4 Å²	29.4	8%	0.078	14%	0.139	C	C	.	.	H	α-helix	trans	-68.7	-33.1	179.4	-75.9	18.2	0	0	0	110.9	L18 F19 K25 A26 A458 L461 F462	L18-Y22 HydrophobicContact CD1-CD1 4.03Å; L18-Y22 HydrophobicContact CD1-CE1 3.31Å; L18-Y22 HydrophobicContact CD2-CE1 4.28Å; L18-Y22 HydrophobicContact CD2-CE2 4.14Å; L18-Y22 HydrophobicContact CG-CD1 3.98Å; L18-Y22 HydrophobicContact CG-CD2 4.46Å; L18-Y22 HydrophobicContact CG-CE1 3.51Å; L18-Y22 HydrophobicContact CG-CE2 4Å; L18-Y22 HydrophobicContact CG-CG 4.45Å; L18-Y22 WeakPolarHBondContact O-CB 3.36Å; L18-Y22 VanDerWaalsContact O-CD1 3.23Å; L18-Y22 WeakPolarHBondContact O-CD1 3.45Å; L18-Y22 PolarHBondContact O-N 2.93Å; F19-Y22 PolarHBondContact O-N 3.43Å; Y22-K25 CarbonylContact O-C 3.22Å; Y22-K25 WeakPolarHBondContact O-CA 3.07Å; Y22-K25 WeakPolarHBondContact O-CB 3.15Å; Y22-K25 PolarHBondContact O-N 3.29Å; Y22-A26 WeakPolarHBondContact O-CB 3.38Å; Y22-A26 PolarHBondContact O-N 3.09Å; Y22-A458 HydrophobicContact CE2-CB 4.05Å; Y22-A458 WeakPolarHBondContact CE2-O 3.46Å; Y22-A458 PolarHBondContact OH-O 3.32Å; Y22-A458 VanDerWaalsContact OH-O 3.14Å; Y22-L461 HydrophobicContact CD2-CD2 4.24Å; Y22-L461 HydrophobicContact CD2-CG 4.35Å; Y22-F462 AromaticContact CD1-CD2 3.69Å; Y22-F462 HydrophobicContact CD1-CD2 3.69Å; Y22-F462 HydrophobicContact CD1-CE2 4.42Å; Y22-F462 HydrophobicContact CD2-CB 4.43Å; Y22-F462 HydrophobicContact CE1-CB 4.06Å; Y22-F462 AromaticContact CE1-CD2 3.5Å; Y22-F462 HydrophobicContact CE1-CD2 3.5Å; Y22-F462 HydrophobicContact CE1-CE2 4.31Å; Y22-F462 HydrophobicContact CE1-CG 4.16Å; Y22-F462 HydrophobicContact CE2-CB 3.89Å; Y22-F462 HydrophobicContact CG-CD2 4.34Å
23	T	87.2	Confident	82.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-45.9	173.9	-48.9	0	0	0	0	111.4	F19 V21 K25 A26 M27 F151 Y170 F173 L438	F19-T23 WeakPolarHBondContact O-CB 3.2Å; F19-T23 PolarHBondContact O-N 3.41Å; F19-T23 PolarHBondContact O-OG1 3.1Å; V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.41Å; T23-K25 PolarHBondContact O-N 3.43Å; T23-A26 PolarHBondContact O-N 3.07Å; T23-M27 HydrophobicContact CG2-CG 4.14Å; T23-M27 WeakPolarHBondContact O-CB 3.48Å; T23-M27 VanDerWaalsContact O-CG 3.25Å; T23-M27 WeakPolarHBondContact O-CG 3.46Å; T23-M27 PolarHBondContact O-N 3.04Å; T23-F151 HydrophobicContact CG2-CE2 4.49Å; T23-Y170 HydrophobicContact CG2-CD1 3.46Å; T23-Y170 VanDerWaalsContact CG2-CD1 3.46Å; T23-Y170 HydrophobicContact CG2-CE1 3.28Å; T23-Y170 HydrophobicContact CG2-CG 4.42Å; T23-F173 HydrophobicContact CG2-CD2 3.96Å; T23-F173 HydrophobicContact CG2-CE2 3.35Å; T23-F173 HydrophobicContact CG2-CZ 3.7Å; T23-F173 WeakPolarHBondContact OG1-CE2 3.22Å; T23-F173 WeakPolarHBondContact OG1-CZ 3.01Å; T23-L438 HydrophobicContact CG2-CD2 4.46Å; T23-L438 WeakPolarHBondContact OG1-CD2 3.45Å
24	Q	90.3	Very high	84.6	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-57.9	-32.5	172.6	-74.7	168.2	81.4	0	0	112	C20 V21 Y28 T34 T35 R36 Y170	C20-Q24 WeakPolarHBondContact O-CG 3.4Å; C20-Q24 PolarHBondContact O-N 3.33Å; C20-Q24 PolarHBondContact O-NE2 3.47Å; V21-Q24 WeakPolarHBondContact O-CB 3.48Å; V21-Q24 PolarHBondContact O-N 2.97Å; Q24-Y28 WeakPolarHBondContact O-CB 3.49Å; Q24-Y28 PolarHBondContact O-N 2.97Å; Q24-T34 WeakPolarHBondContact O-CG2 3.43Å; Q24-T35 WeakPolarHBondContact CB-O 3.34Å; Q24-T35 WeakPolarHBondContact CG-O 3.49Å; Q24-R36 PolarHBondContact O-NH1 2.79Å; Q24-R36 PolarHBondContact OE1-O 2.84Å; Q24-Y170 HydrophobicContact CB-CE2 4.39Å; Q24-Y170 HydrophobicContact CG-CD2 3.67Å; Q24-Y170 HydrophobicContact CG-CE2 3.22Å
25	K	91.1	Very high	86.6	Confident	38 Å²	38	23.4 Å²	23.4	17%	0.165	12%	0.121	C	C	.	.	H	α-helix	trans	-71.2	-51	174.5	-163.3	63.9	148.6	154.2	0	111.5	V21 Y22 T23 Y28 Y29 F462 T466	V21-K25 PolarHBondContact O-N 3.07Å; Y22-K25 CarbonylContact O-C 3.22Å; Y22-K25 WeakPolarHBondContact O-CA 3.07Å; Y22-K25 WeakPolarHBondContact O-CB 3.15Å; Y22-K25 PolarHBondContact O-N 3.29Å; T23-K25 PolarHBondContact O-N 3.43Å; K25-Y28 WeakPolarHBondContact O-CB 3.39Å; K25-Y28 PolarHBondContact O-N 3.42Å; K25-Y29 HydrophobicContact CD-CD2 3.96Å; K25-Y29 HydrophobicContact CD-CE2 3.37Å; K25-Y29 HydrophobicContact CG-CD2 3.93Å; K25-Y29 HydrophobicContact CG-CE2 3.71Å; K25-Y29 PolarHBondContact NZ-OH 3.09Å; K25-Y29 WeakPolarHBondContact O-CD2 3.23Å; K25-Y29 PolarHBondContact O-N 3.13Å; K25-Y29 VanDerWaalsContact O-N 3.17Å; K25-F462 HydrophobicContact CB-CE2 4.2Å; K25-F462 HydrophobicContact CD-CE2 4.13Å; K25-F462 HydrophobicContact CD-CZ 4.22Å; K25-F462 HydrophobicContact CG-CD2 4.22Å; K25-F462 HydrophobicContact CG-CE2 3.67Å; K25-F462 HydrophobicContact CG-CZ 4.14Å; K25-T466 HydrophobicContact CG-CG2 4.33Å
26	A	92.9	Very high	88.4	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-56.5	-53.4	178.6	0	0	0	0	0	111.4	Y22 T23 Y28 Y29 L30 L438 L465	Y22-A26 WeakPolarHBondContact O-CB 3.38Å; Y22-A26 PolarHBondContact O-N 3.09Å; T23-A26 PolarHBondContact O-N 3.07Å; A26-Y28 VanDerWaalsContact C-N 3.28Å; A26-Y28 PolarHBondContact O-N 3.14Å; A26-Y29 PolarHBondContact O-N 3.41Å; A26-Y29 VanDerWaalsContact O-N 3.1Å; A26-L30 WeakPolarHBondContact O-CB 3.4Å; A26-L30 VanDerWaalsContact O-CG 3.26Å; A26-L30 WeakPolarHBondContact O-CG 3.07Å; A26-L30 PolarHBondContact O-N 3.27Å; A26-L438 HydrophobicContact CB-CB 4.37Å; A26-L465 HydrophobicContact CB-CB 4.37Å; A26-L465 HydrophobicContact CB-CD1 4.37Å; A26-L465 HydrophobicContact CB-CD2 3.91Å; A26-L465 HydrophobicContact CB-CG 4.44Å
27	M	96.4	Very high	89.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.7	-42.1	-178.8	-67.3	-61.5	-81.8	0	0	112.2	T23 L30 G31 I32 T34 F151 T167 Y170 F175	T23-M27 HydrophobicContact CG2-CG 4.14Å; T23-M27 WeakPolarHBondContact O-CB 3.48Å; T23-M27 VanDerWaalsContact O-CG 3.25Å; T23-M27 WeakPolarHBondContact O-CG 3.46Å; T23-M27 PolarHBondContact O-N 3.04Å; M27-L30 PolarHBondContact O-N 2.66Å; M27-L30 HydrophobicContact SD-CD1 4.42Å; M27-G31 PolarHBondContact O-N 2.56Å; M27-I32 CarbonylContact C-O 3.56Å; M27-I32 HydrophobicContact CB-CB 4.44Å; M27-I32 HydrophobicContact CE-CB 3.9Å; M27-I32 HydrophobicContact CE-CD1 3.74Å; M27-I32 HydrophobicContact CE-CG1 4.39Å; M27-I32 HydrophobicContact CE-CG2 3.55Å; M27-I32 WeakPolarHBondContact O-CA 3.35Å; M27-I32 WeakPolarHBondContact O-CB 3.41Å; M27-I32 PolarHBondContact O-N 3.31Å; M27-I32 VanDerWaalsContact O-O 3.13Å; M27-I32 HydrophobicContact SD-CD1 4.09Å; M27-T34 HydrophobicContact CB-CG2 3.86Å; M27-F151 HydrophobicContact CE-CD1 3.93Å; M27-F151 HydrophobicContact CE-CD2 4.15Å; M27-F151 HydrophobicContact CE-CE1 4.02Å; M27-F151 HydrophobicContact CE-CE2 4.25Å; M27-F151 HydrophobicContact CE-CG 3.98Å; M27-F151 HydrophobicContact CE-CZ 4.19Å; M27-F151 HydrophobicContact SD-CD2 4Å; M27-F151 HydrophobicContact SD-CE2 4.2Å; M27-F151 HydrophobicContact SD-CG 4.3Å; M27-T167 HydrophobicContact CE-CG2 4.19Å; M27-Y170 HydrophobicContact CG-CE1 4.26Å; M27-Y170 WeakPolarHBondContact CG-OH 3.21Å; M27-F175 HydrophobicContact SD-CE1 4.46Å; M27-F175 HydrophobicContact SD-CE2 4.48Å; M27-F175 HydrophobicContact SD-CZ 3.69Å
28	Y	96.2	Very high	90.4	Very high	128 Å²	128	29.8 Å²	29.8	50%	0.502	17%	0.166	S	C	.	.	H	α-helix	trans	-63	-45.4	176.7	174.7	-95.6	0	0	0	112.9	Q24 K25 A26 L30 G31	Q24-Y28 WeakPolarHBondContact O-CB 3.49Å; Q24-Y28 PolarHBondContact O-N 2.97Å; K25-Y28 WeakPolarHBondContact O-CB 3.39Å; K25-Y28 PolarHBondContact O-N 3.42Å; A26-Y28 VanDerWaalsContact C-N 3.28Å; A26-Y28 PolarHBondContact O-N 3.14Å; Y28-L30 VanDerWaalsContact C-N 3.31Å; Y28-G31 WeakPolarHBondContact O-CA 3.37Å; Y28-G31 PolarHBondContact O-N 3.48Å
29	Y	96.4	Very high	91.1	Very high	79 Å²	79	30.5 Å²	30.5	31%	0.31	17%	0.173	S	C	.	.	H	α-helix	trans	-75.8	-20.8	179.5	-73.2	-70.3	0	0	0	113.3	K25 A26 G31 L465 T466 F469	K25-Y29 HydrophobicContact CD-CD2 3.96Å; K25-Y29 HydrophobicContact CD-CE2 3.37Å; K25-Y29 HydrophobicContact CG-CD2 3.93Å; K25-Y29 HydrophobicContact CG-CE2 3.71Å; K25-Y29 PolarHBondContact NZ-OH 3.09Å; K25-Y29 WeakPolarHBondContact O-CD2 3.23Å; K25-Y29 PolarHBondContact O-N 3.13Å; K25-Y29 VanDerWaalsContact O-N 3.17Å; A26-Y29 PolarHBondContact O-N 3.41Å; A26-Y29 VanDerWaalsContact O-N 3.1Å; Y29-G31 PolarHBondContact O-N 2.62Å; Y29-L465 WeakPolarHBondContact CB-O 3.21Å; Y29-T466 WeakPolarHBondContact CD1-O 3.41Å; Y29-T466 VanDerWaalsContact CD2-CA 3.42Å; Y29-T466 HydrophobicContact CD2-CG2 4.24Å; Y29-T466 WeakPolarHBondContact CE1-O 3.03Å; Y29-T466 HydrophobicContact CE2-CG2 3.54Å; Y29-F469 WeakPolarHBondContact O-CE2 3.04Å
30	L	97.3	Very high	91.5	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-3.7	164.6	-67.7	171.1	0	0	0	112.6	A26 M27 Y28 I32 F175 P434 P468 F469	A26-L30 WeakPolarHBondContact O-CB 3.4Å; A26-L30 VanDerWaalsContact O-CG 3.26Å; A26-L30 WeakPolarHBondContact O-CG 3.07Å; A26-L30 PolarHBondContact O-N 3.27Å; M27-L30 PolarHBondContact O-N 2.66Å; M27-L30 HydrophobicContact SD-CD1 4.42Å; Y28-L30 VanDerWaalsContact C-N 3.31Å; L30-I32 VanDerWaalsContact C-N 3.3Å; L30-I32 HydrophobicContact CB-CD1 4.31Å; L30-I32 HydrophobicContact CB-CG1 4.1Å; L30-F175 HydrophobicContact CD1-CE1 3.8Å; L30-F175 HydrophobicContact CD1-CZ 3.76Å; L30-P434 HydrophobicContact CD2-CB 3.49Å; L30-P434 VanDerWaalsContact CD2-CB 3.49Å; L30-P434 HydrophobicContact CD2-CG 3.88Å; L30-P468 HydrophobicContact CD2-CB 3.91Å; L30-P468 HydrophobicContact CD2-CG 4Å; L30-P468 HydrophobicContact CG-CG 4.46Å; L30-F469 HydrophobicContact CD2-CE1 4.45Å; L30-F469 HydrophobicContact CD2-CZ 4.05Å
31	G	97.1	Very high	91.9	Very high	49 Å²	49	37.5 Å²	37.5	51%	0.505	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	17.3	-177.8	0	0	0	0	0	113.8	M27 Y28 Y29	M27-G31 PolarHBondContact O-N 2.56Å; Y28-G31 WeakPolarHBondContact O-CA 3.37Å; Y28-G31 PolarHBondContact O-N 3.48Å; Y29-G31 PolarHBondContact O-N 2.62Å
32	I	98.3	Very high	91.9	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	22%	0.216	C	C	.	.			trans	-94.7	125.2	179.5	-52	-174.7	0	0	0	109.4	M27 L30 T34 L142 L145 V149	M27-I32 CarbonylContact C-O 3.56Å; M27-I32 HydrophobicContact CB-CB 4.44Å; M27-I32 HydrophobicContact CE-CB 3.9Å; M27-I32 HydrophobicContact CE-CD1 3.74Å; M27-I32 HydrophobicContact CE-CG1 4.39Å; M27-I32 HydrophobicContact CE-CG2 3.55Å; M27-I32 WeakPolarHBondContact O-CA 3.35Å; M27-I32 WeakPolarHBondContact O-CB 3.41Å; M27-I32 PolarHBondContact O-N 3.31Å; M27-I32 VanDerWaalsContact O-O 3.13Å; M27-I32 HydrophobicContact SD-CD1 4.09Å; L30-I32 VanDerWaalsContact C-N 3.3Å; L30-I32 HydrophobicContact CB-CD1 4.31Å; L30-I32 HydrophobicContact CB-CG1 4.1Å; I32-T34 PolarHBondContact O-N 3.02Å; I32-L142 HydrophobicContact CG2-CD1 3.85Å; I32-L145 HydrophobicContact CD1-CB 4.31Å; I32-L145 HydrophobicContact CG1-CB 4.1Å; I32-L145 HydrophobicContact CG2-CB 4.26Å; I32-V149 HydrophobicContact CD1-CG1 4.45Å; I32-V149 HydrophobicContact CD1-CG2 3.59Å
33	P	98	Very high	91.7	Very high	44 Å²	44	39.7 Å²	39.7	29%	0.286	23%	0.227	S	C	.	.			trans	-55.5	128.1	178.1	-25.7	34.2	0	0	0	111.8	L142 G165 L166 T167	P33-L142 HydrophobicContact CB-CD1 4.2Å; P33-L142 HydrophobicContact CG-CD1 4.36Å; P33-G165 VanDerWaalsContact CB-O 3.25Å; P33-G165 WeakPolarHBondContact CB-O 3.25Å; P33-L166 HydrophobicContact CB-CD2 3.94Å; P33-T167 WeakPolarHBondContact O-CB 3.45Å; P33-T167 PolarHBondContact O-N 3.38Å; P33-T167 PolarHBondContact O-OG1 3.04Å
34	T	97.2	Very high	91.7	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.092	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-152.6	155.9	-174	176.5	0	0	0	0	112.3	Q24 M27 I32 T167 Y170	Q24-T34 WeakPolarHBondContact O-CG2 3.43Å; M27-T34 HydrophobicContact CB-CG2 3.86Å; I32-T34 PolarHBondContact O-N 3.02Å; T34-T167 WeakPolarHBondContact CA-O 3.28Å; T34-Y170 PolarHBondContact OG1-OH 2.64Å
35	T	94.8	Very high	91.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.284	C	S	.	.			trans	-59.5	158.7	156.9	46.8	0	0	0	0	112.2	Q24 A69 F72 T167 I168	Q24-T35 WeakPolarHBondContact CB-O 3.34Å; Q24-T35 WeakPolarHBondContact CG-O 3.49Å; T35-A69 HydrophobicContact CG2-CB 3.97Å; T35-F72 HydrophobicContact CG2-CD1 4.45Å; T35-F72 HydrophobicContact CG2-CE1 3.72Å; T35-F72 HydrophobicContact CG2-CZ 4.25Å; T35-T167 PolarHBondContact N-O 3.48Å; T35-T167 PolarHBondContact OG1-O 3.24Å; T35-I168 HydrophobicContact CG2-CB 4.29Å; T35-I168 HydrophobicContact CG2-CG2 3.51Å
36	R	92	Very high	91.5	Very high	67 Å²	67	52.9 Å²	52.9	25%	0.253	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.2	176.7	-59.7	-67.2	-72.8	-173.7	-21.3	109.7	Q24 R67 V68	Q24-R36 PolarHBondContact O-NH1 2.79Å; Q24-R36 PolarHBondContact OE1-O 2.84Å; R36-R67 CarbonylContact O-C 3.58Å; R36-R67 WeakPolarHBondContact O-CA 3.49Å; R36-V68 PolarHBondContact N-O 3.01Å; R36-V68 PolarHBondContact O-N 3.33Å
37	A	88.4	Confident	91.1	Very high	28 Å²	28	54.8 Å²	54.8	23%	0.231	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.1	170.3	0	0	0	0	0	109.7	V21 S66	V21-A37 HydrophobicContact CB-CB 3.9Å; V21-A37 HydrophobicContact CG1-CB 3.77Å; V21-A37 HydrophobicContact CG2-CB 3.28Å; A37-S66 CarbonylContact C-O 3.51Å; A37-S66 WeakPolarHBondContact CA-O 3.49Å
38	A	88.4	Confident	90.5	Very high	71 Å²	71	61.5 Å²	61.5	59%	0.587	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	-38	176.6	0	0	0	0	0	112	S66 V68	A38-S66 PolarHBondContact N-O 3.4Å; A38-V68 HydrophobicContact CB-CG2 3.6Å
39	S	86.2	Confident	89.5	Confident	47 Å²	47	57.2 Å²	57.2	33%	0.329	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.4	-179.8	63.7	0	0	0	0	112.4	T65 S66	S39-T65 WeakPolarHBondContact O-CA 3.27Å; S39-T65 PolarHBondContact O-OG1 2.87Å; S39-S66 PolarHBondContact O-N 2.98Å; S39-S66 VanDerWaalsContact OG-CB 3.23Å; S39-S66 WeakPolarHBondContact OG-CB 3.44Å
40	I	84	Confident	88.6	Confident	50 Å²	50	55.3 Å²	55.3	26%	0.256	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.8	163.4	-49.9	174.5	0	0	0	106.3	L17 L18 V21 I64	L17-I40 HydrophobicContact CB-CD1 4.4Å; L17-I40 HydrophobicContact CB-CG2 4.01Å; L17-I40 HydrophobicContact CD1-CG2 4.15Å; L18-I40 HydrophobicContact CB-CD1 4.38Å; L18-I40 HydrophobicContact CD1-CD1 3.94Å; V21-I40 HydrophobicContact CB-CD1 3.82Å; V21-I40 HydrophobicContact CB-CG1 4.41Å; V21-I40 HydrophobicContact CG1-CD1 4.34Å; V21-I40 HydrophobicContact CG2-CD1 3.3Å; V21-I40 HydrophobicContact CG2-CG1 3.45Å; V21-I40 VanDerWaalsContact CG2-CG1 3.45Å; I40-I64 CarbonylContact C-O 3.52Å; I40-I64 WeakPolarHBondContact CA-O 3.34Å
41	I	85.7	Confident	87	Confident	107 Å²	107	56.2 Å²	56.2	55%	0.549	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.1	177.3	-58.4	175.8	0	0	0	107.3	S63 I64	I41-S63 CarbonylContact O-C 3.56Å; I41-S63 VanDerWaalsContact O-CA 3.23Å; I41-S63 WeakPolarHBondContact O-CA 3.14Å; I41-I64 PolarHBondContact N-O 3.07Å; I41-I64 PolarHBondContact O-N 2.68Å
42	T	83.5	Confident	85.7	Confident	45 Å²	45	60.5 Å²	60.5	28%	0.276	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.7	173.7	-59.7	0	0	0	0	108.4	K14 K61 A62 S63	K14-T42 HydrophobicContact CB-CG2 4.32Å; K14-T42 WeakPolarHBondContact CB-OG1 3.35Å; K14-T42 WeakPolarHBondContact CD-OG1 3.46Å; K14-T42 VanDerWaalsContact CG-OG1 3.23Å; K14-T42 WeakPolarHBondContact CG-OG1 3.1Å; T42-K61 HydrophobicContact CG2-CB 3.76Å; T42-K61 HydrophobicContact CG2-CD 4.01Å; T42-A62 CarbonylContact C-O 3.59Å; T42-A62 WeakPolarHBondContact CA-O 3.43Å; T42-S63 WeakPolarHBondContact CB-OG 3.43Å; T42-S63 WeakPolarHBondContact CG2-OG 3.49Å; T42-S63 PolarHBondContact OG1-OG 3.27Å
43	S	84.8	Confident	84.4	Confident	44 Å²	44	69.1 Å²	69.1	31%	0.308	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	168.4	171.9	76.4	0	0	0	0	110.8	T45 A62	S43-T45 VanDerWaalsContact OG-CB 3.28Å; S43-T45 WeakPolarHBondContact OG-CB 3.49Å; S43-T45 PolarHBondContact OG-N 3.15Å; S43-T45 PolarHBondContact OG-OG1 2.84Å; S43-T45 VanDerWaalsContact OG-OG1 3.11Å; S43-A62 PolarHBondContact N-O 3.47Å
44	D	87.3	Confident	83.3	Confident	126 Å²	126	71.1 Å²	71.1	67%	0.674	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	-1.5	171.4	-64.1	-45.8	0	0	0	113	L46 K61	D44-L46 PolarHBondContact O-N 3.41Å; D44-K61 IonicContact OD1-NZ 3.23Å; D44-K61 PolarHBondContact OD1-NZ 3.01Å
45	T	88.9	Confident	82.5	Confident	88 Å²	88	73.3 Å²	73.3	54%	0.54	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	128.3	172.5	-49.3	0	0	0	0	108.9	S43 K61 A62	S43-T45 VanDerWaalsContact OG-CB 3.28Å; S43-T45 WeakPolarHBondContact OG-CB 3.49Å; S43-T45 PolarHBondContact OG-N 3.15Å; S43-T45 PolarHBondContact OG-OG1 2.84Å; S43-T45 VanDerWaalsContact OG-OG1 3.11Å; T45-K61 CarbonylContact O-C 3.07Å; T45-K61 WeakPolarHBondContact O-CA 3.33Å; T45-A62 HydrophobicContact CG2-CB 4.48Å; T45-A62 WeakPolarHBondContact O-CB 3.39Å; T45-A62 PolarHBondContact O-N 3.29Å
46	L	87.9	Confident	81.9	Confident	103 Å²	103	79.5 Å²	79.5	54%	0.539	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	146.9	177	-64	-178.5	0	0	0	110.3	D44 T59 E60 K61	D44-L46 PolarHBondContact O-N 3.41Å; L46-T59 HydrophobicContact CB-CG2 3.55Å; L46-T59 HydrophobicContact CD1-CG2 3.84Å; L46-T59 HydrophobicContact CD2-CG2 4.25Å; L46-T59 HydrophobicContact CG-CG2 4.08Å; L46-E60 CarbonylContact C-O 3.58Å; L46-E60 WeakPolarHBondContact CA-O 3.36Å; L46-K61 HydrophobicContact CD2-CG 4Å
47	V	83.6	Confident	81.5	Confident	42 Å²	42	78.8 Å²	78.8	26%	0.255	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.9	166.6	-60	0	0	0	0	111.4	P11 R49 T59 E60	P11-V47 HydrophobicContact CB-CB 4.31Å; P11-V47 HydrophobicContact CB-CG1 4.39Å; P11-V47 HydrophobicContact CB-CG2 3.12Å; P11-V47 HydrophobicContact CG-CB 3.9Å; P11-V47 HydrophobicContact CG-CG1 3.48Å; P11-V47 VanDerWaalsContact CG-CG1 3.48Å; P11-V47 HydrophobicContact CG-CG2 3.18Å; V47-R49 HydrophobicContact CG2-CG 3.97Å; V47-T59 CarbonylContact O-C 3.6Å; V47-T59 VanDerWaalsContact O-CA 3.29Å; V47-T59 WeakPolarHBondContact O-CA 3.49Å; V47-E60 HydrophobicContact CG2-CG 4.22Å; V47-E60 PolarHBondContact N-O 3.42Å; V47-E60 PolarHBondContact O-N 2.88Å
48	E	84.1	Confident	81.2	Confident	141 Å²	141	80.5 Å²	80.5	66%	0.659	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.7	174.2	-174	177.5	-170.5	0	0	111.1	S57 I58	E48-S57 VanDerWaalsContact CG-CB 3.49Å; E48-S57 WeakPolarHBondContact CG-OG 3.49Å; E48-S57 VanDerWaalsContact OE1-CB 3.27Å; E48-S57 WeakPolarHBondContact OE1-CB 3.47Å; E48-S57 PolarHBondContact OE1-OG 3.33Å; E48-I58 WeakPolarHBondContact CA-O 3.46Å
49	R	76.6	Confident	81	Confident	38 Å²	38	81.8 Å²	81.8	14%	0.143	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	127.7	-178.5	-71.9	-82.9	-91.1	137	7.5	110.5	S10 P11 V47 S57 I58 E60 S503	S10-R49 WeakPolarHBondContact OG-CD 3.31Å; S10-R49 PolarHBondContact OG-NE 2.67Å; P11-R49 PolarHBondContact O-NE 3.04Å; V47-R49 HydrophobicContact CG2-CG 3.97Å; R49-S57 WeakPolarHBondContact O-CA 3.04Å; R49-I58 PolarHBondContact N-O 3.18Å; R49-I58 WeakPolarHBondContact O-CG1 3.36Å; R49-I58 PolarHBondContact O-N 2.79Å; R49-E60 HydrophobicContact CG-CG 4.24Å; R49-E60 WeakPolarHBondContact CG-OE1 3.42Å; R49-E60 IonicContact NE-OE1 3.97Å; R49-S503 PolarHBondContact NH1-O 3.24Å; R49-S503 PolarHBondContact NH2-O 3.31Å
50	D	75.7	Confident	80.7	Confident	39 Å²	39	80.3 Å²	80.3	21%	0.209	43%	0.434	C	S	.	.			trans	-104	99.4	166.6	176.9	7.2	0	0	0	108.4	Y53 T54 G55	D50-Y53 WeakPolarHBondContact OD1-CA 3.5Å; D50-Y53 PolarHBondContact OD1-N 3.06Å; D50-Y53 VanDerWaalsContact OD1-N 3.07Å; D50-Y53 WeakPolarHBondContact OD2-CA 3.49Å; D50-T54 VanDerWaalsContact CG-N 3.33Å; D50-T54 PolarHBondContact OD1-N 3.44Å; D50-T54 PolarHBondContact OD1-OG1 3.22Å; D50-T54 VanDerWaalsContact OD1-OG1 3.09Å; D50-T54 PolarHBondContact OD2-N 3.06Å; D50-G55 WeakPolarHBondContact OD2-CA 3.35Å; D50-G55 PolarHBondContact OD2-N 2.68Å
51	M	64.8	Low	80.6	Confident	31 Å²	31	82.8 Å²	82.8	15%	0.153	44%	0.443	C	S	.	.	S	Bend	trans	-69	-36.3	-169.4	144.9	171.3	29.3	0	0	113.1	R16 I58 S504	R16-M51 VanDerWaalsContact CZ-SD 3.53Å; R16-M51 PolarHBondContact NH1-SD 2.91Å; R16-M51 PolarHBondContact NH2-SD 3.46Å; M51-I58 HydrophobicContact CE-CD1 4.41Å; M51-S504 WeakPolarHBondContact CB-OXT 3.2Å; M51-S504 WeakPolarHBondContact CG-OXT 3.39Å
52	F	69.4	Low	80.5	Confident	140 Å²	140	78.4 Å²	78.4	61%	0.614	42%	0.423	S	S	*	.	S	Bend	trans	-104.7	6.7	-176.7	-62.6	-59.1	0	0	0	112.4	T54	F52-T54 HydrophobicContact CB-CG2 3.62Å; F52-T54 PolarHBondContact O-N 2.96Å
53	Y	70.6	Confident	80.4	Confident	185 Å²	185	76.3 Å²	76.3	73%	0.725	41%	0.41	S	S	*	.	S	Bend	trans	54.2	38.7	-173.3	-56.5	-82	0	0	0	111.7	D50	D50-Y53 WeakPolarHBondContact OD1-CA 3.5Å; D50-Y53 PolarHBondContact OD1-N 3.06Å; D50-Y53 VanDerWaalsContact OD1-N 3.07Å; D50-Y53 WeakPolarHBondContact OD2-CA 3.49Å
54	T	75.5	Confident	80.4	Confident	87 Å²	87	78 Å²	78	53%	0.534	42%	0.415	S	S	.	.	S	Bend	trans	-87.8	-14.4	-176.4	43.4	0	0	0	0	113.7	D50 F52 D56	D50-T54 VanDerWaalsContact CG-N 3.33Å; D50-T54 PolarHBondContact OD1-N 3.44Å; D50-T54 PolarHBondContact OD1-OG1 3.22Å; D50-T54 VanDerWaalsContact OD1-OG1 3.09Å; D50-T54 PolarHBondContact OD2-N 3.06Å; F52-T54 HydrophobicContact CB-CG2 3.62Å; F52-T54 PolarHBondContact O-N 2.96Å; T54-D56 VanDerWaalsContact C-N 3.28Å; T54-D56 PolarHBondContact OG1-N 3.23Å
55	G	80.9	Confident	80.2	Confident	60 Å²	60	72.2 Å²	72.2	62%	0.619	38%	0.384	S	S	*	.	S	Bend	trans	90	-17.5	-164.5	0	0	0	0	0	113.5	D50 S57	D50-G55 WeakPolarHBondContact OD2-CA 3.35Å; D50-G55 PolarHBondContact OD2-N 2.68Å; G55-S57 PolarHBondContact O-N 2.9Å
56	D	81.1	Confident	80.2	Confident	131 Å²	131	68.3 Å²	68.3	70%	0.701	36%	0.361	S	S	*	.			trans	-87.8	83.9	-179.4	-66.5	-31.2	0	0	0	111.1	T54	T54-D56 VanDerWaalsContact C-N 3.28Å; T54-D56 PolarHBondContact OG1-N 3.23Å
57	S	84.1	Confident	80.2	Confident	52 Å²	52	63.7 Å²	63.7	36%	0.364	34%	0.336	S	S	.	.			trans	-73.7	147.2	178.1	69.6	0	0	0	0	112.4	E48 R49 G55	E48-S57 VanDerWaalsContact CG-CB 3.49Å; E48-S57 WeakPolarHBondContact CG-OG 3.49Å; E48-S57 VanDerWaalsContact OE1-CB 3.27Å; E48-S57 WeakPolarHBondContact OE1-CB 3.47Å; E48-S57 PolarHBondContact OE1-OG 3.33Å; R49-S57 WeakPolarHBondContact O-CA 3.04Å; G55-S57 PolarHBondContact O-N 2.9Å
58	I	81.3	Confident	80.7	Confident	64 Å²	64	63.1 Å²	63.1	33%	0.328	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.7	171	62.2	168.5	0	0	0	110.2	E48 R49 M51	E48-I58 WeakPolarHBondContact CA-O 3.46Å; R49-I58 PolarHBondContact N-O 3.18Å; R49-I58 WeakPolarHBondContact O-CG1 3.36Å; R49-I58 PolarHBondContact O-N 2.79Å; M51-I58 HydrophobicContact CE-CD1 4.41Å
59	T	84.8	Confident	81.2	Confident	98 Å²	98	56.8 Å²	56.8	60%	0.601	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.9	174	-52	0	0	0	0	111	L46 V47	L46-T59 HydrophobicContact CB-CG2 3.55Å; L46-T59 HydrophobicContact CD1-CG2 3.84Å; L46-T59 HydrophobicContact CD2-CG2 4.25Å; L46-T59 HydrophobicContact CG-CG2 4.08Å; V47-T59 CarbonylContact O-C 3.6Å; V47-T59 VanDerWaalsContact O-CA 3.29Å; V47-T59 WeakPolarHBondContact O-CA 3.49Å
60	E	80.5	Confident	82	Confident	15 Å²	15	61 Å²	61	7%	0.07	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.6	-179.9	64.2	176.7	-177.4	0	0	113.9	P11 I12 R13 L46 V47 R49	P11-E60 HydrophobicContact CB-CG 4.43Å; I12-E60 WeakPolarHBondContact CA-OE1 3.47Å; R13-E60 WeakPolarHBondContact CG-OE2 3.4Å; R13-E60 PolarHBondContact N-OE2 3.02Å; L46-E60 CarbonylContact C-O 3.58Å; L46-E60 WeakPolarHBondContact CA-O 3.36Å; V47-E60 HydrophobicContact CG2-CG 4.22Å; V47-E60 PolarHBondContact N-O 3.42Å; V47-E60 PolarHBondContact O-N 2.88Å; R49-E60 HydrophobicContact CG-CG 4.24Å; R49-E60 WeakPolarHBondContact CG-OE1 3.42Å; R49-E60 IonicContact NE-OE1 3.97Å
61	K	82.4	Confident	83	Confident	102 Å²	102	59.3 Å²	59.3	44%	0.443	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	134.8	177.5	-70.5	-165.4	178.6	-158.6	0	111.9	T42 D44 T45 L46	T42-K61 HydrophobicContact CG2-CB 3.76Å; T42-K61 HydrophobicContact CG2-CD 4.01Å; D44-K61 IonicContact OD1-NZ 3.23Å; D44-K61 PolarHBondContact OD1-NZ 3.01Å; T45-K61 CarbonylContact O-C 3.07Å; T45-K61 WeakPolarHBondContact O-CA 3.33Å; L46-K61 HydrophobicContact CD2-CG 4Å
62	A	83.3	Confident	84.5	Confident	15 Å²	15	59 Å²	59	12%	0.124	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.2	171.2	0	0	0	0	0	112	P11 T42 S43 T45	P11-A62 HydrophobicContact CB-CB 4.14Å; P11-A62 VanDerWaalsContact CG-CA 3.49Å; P11-A62 HydrophobicContact CG-CB 3.49Å; P11-A62 VanDerWaalsContact CG-CB 3.49Å; T42-A62 CarbonylContact C-O 3.59Å; T42-A62 WeakPolarHBondContact CA-O 3.43Å; S43-A62 PolarHBondContact N-O 3.47Å; T45-A62 HydrophobicContact CG2-CB 4.48Å; T45-A62 WeakPolarHBondContact O-CB 3.39Å; T45-A62 PolarHBondContact O-N 3.29Å
63	S	81.4	Confident	85.9	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.7	174.4	-57.8	0	0	0	0	110.2	L17 I41 T42	L17-S63 WeakPolarHBondContact CD1-O 3.31Å; I41-S63 CarbonylContact O-C 3.56Å; I41-S63 VanDerWaalsContact O-CA 3.23Å; I41-S63 WeakPolarHBondContact O-CA 3.14Å; T42-S63 WeakPolarHBondContact CB-OG 3.43Å; T42-S63 WeakPolarHBondContact CG2-OG 3.49Å; T42-S63 PolarHBondContact OG1-OG 3.27Å
64	I	83.5	Confident	87.2	Confident	80 Å²	80	46.5 Å²	46.5	41%	0.41	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.7	-179.9	-60	173.3	0	0	0	107.5	I40 I41	I40-I64 CarbonylContact C-O 3.52Å; I40-I64 WeakPolarHBondContact CA-O 3.34Å; I41-I64 PolarHBondContact N-O 3.07Å; I41-I64 PolarHBondContact O-N 2.68Å
65	T	84.2	Confident	88.3	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.2	170	-176.6	0	0	0	0	110.2	L17 S39 R67	L17-T65 HydrophobicContact CD2-CG2 4.03Å; S39-T65 WeakPolarHBondContact O-CA 3.27Å; S39-T65 PolarHBondContact O-OG1 2.87Å; T65-R67 HydrophobicContact CG2-CG 4.37Å
66	S	88.3	Confident	89.1	Confident	6 Å²	6	40.5 Å²	40.5	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.9	169.3	-174.5	0	0	0	0	109.1	A37 A38 S39	A37-S66 CarbonylContact C-O 3.51Å; A37-S66 WeakPolarHBondContact CA-O 3.49Å; A38-S66 PolarHBondContact N-O 3.4Å; S39-S66 PolarHBondContact O-N 2.98Å; S39-S66 VanDerWaalsContact OG-CB 3.23Å; S39-S66 WeakPolarHBondContact OG-CB 3.44Å
67	R	89.2	Confident	89.8	Confident	6 Å²	6	36.1 Å²	36.1	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.8	177.3	-59.4	-175.2	-59.8	172.8	8.8	109.7	T5 R36 T65 F72 D169	T5-R67 PolarHBondContact N-O 3.33Å; T5-R67 VanDerWaalsContact N-O 3.14Å; T5-R67 PolarHBondContact O-N 3.41Å; R36-R67 CarbonylContact O-C 3.58Å; R36-R67 WeakPolarHBondContact O-CA 3.49Å; T65-R67 HydrophobicContact CG2-CG 4.37Å; R67-F72 HydrophobicContact CB-CE1 4.05Å; R67-F72 HydrophobicContact CB-CZ 3.72Å; R67-F72 WeakPolarHBondContact O-CZ 3.12Å; R67-D169 IonicContact CZ-OD1 2.7Å; R67-D169 VanDerWaalsContact CZ-OD1 3.26Å; R67-D169 IonicContact NH1-OD1 2.69Å; R67-D169 PolarHBondContact NH1-OD1 3.25Å; R67-D169 IonicContact NH2-OD1 3.42Å; R67-D169 PolarHBondContact NH2-OD1 2.98Å
68	V	92.4	Very high	90.5	Very high	29 Å²	29	33.7 Å²	33.7	18%	0.176	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.8	-177	-174.8	0	0	0	0	109.4	H2 I4 R36 A38	H2-V68 HydrophobicContact CB-CG1 3.78Å; I4-V68 HydrophobicContact CG1-CG2 4.36Å; R36-V68 PolarHBondContact N-O 3.01Å; R36-V68 PolarHBondContact O-N 3.33Å; A38-V68 HydrophobicContact CB-CG2 3.6Å
69	A	94.6	Very high	91.3	Very high	8 Å²	8	32.8 Å²	32.8	7%	0.066	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	168.8	172.4	0	0	0	0	0	109.9	H3 T35 T71 F72 L166	H3-A69 PolarHBondContact N-O 3.49Å; H3-A69 PolarHBondContact O-N 3.25Å; H3-A69 VanDerWaalsContact O-O 3.11Å; T35-A69 HydrophobicContact CG2-CB 3.97Å; A69-T71 WeakPolarHBondContact CB-O 3.34Å; A69-T71 PolarHBondContact O-N 2.94Å; A69-F72 HydrophobicContact CB-CD2 4.17Å; A69-F72 HydrophobicContact CB-CE1 4.28Å; A69-F72 HydrophobicContact CB-CE2 3.76Å; A69-F72 HydrophobicContact CB-CZ 3.82Å; A69-L166 HydrophobicContact CB-CD1 3.95Å
70	K	95.2	Very high	91.8	Very high	128 Å²	128	30.5 Å²	30.5	56%	0.557	16%	0.157	S	C	*	.	S	Bend	trans	-61.5	-37.1	167.8	-69.3	-177	-179.6	-179	0	111.2	H3 F112 I164	H3-K70 PolarHBondContact CD2-O 3.31Å; K70-F112 HydrophobicContact CB-CE1 4.46Å; K70-F112 WeakPolarHBondContact O-CE1 3.39Å; K70-I164 HydrophobicContact CB-CD1 3.82Å
71	T	96.7	Very high	92.5	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.159	C	C	.	.			trans	-157.2	156.9	171.4	-177.9	0	0	0	0	110.5	A69 I73 F112 I163 I164	A69-T71 WeakPolarHBondContact CB-O 3.34Å; A69-T71 PolarHBondContact O-N 2.94Å; T71-I73 WeakPolarHBondContact OG1-CD1 3.29Å; T71-I73 VanDerWaalsContact OG1-CG1 3.32Å; T71-I73 WeakPolarHBondContact OG1-CG1 3.3Å; T71-I73 PolarHBondContact OG1-N 3.24Å; T71-I73 VanDerWaalsContact OG1-N 3.12Å; T71-F112 VanDerWaalsContact CB-CZ 3.49Å; T71-F112 HydrophobicContact CG2-CD1 4.34Å; T71-F112 HydrophobicContact CG2-CD2 4.11Å; T71-F112 HydrophobicContact CG2-CE1 4.18Å; T71-F112 HydrophobicContact CG2-CE2 3.96Å; T71-F112 HydrophobicContact CG2-CG 4.32Å; T71-F112 HydrophobicContact CG2-CZ 4.01Å; T71-I163 HydrophobicContact CG2-CG2 4.15Å; T71-I164 HydrophobicContact CG2-CB 4.43Å; T71-I164 HydrophobicContact CG2-CD1 3.73Å; T71-I164 HydrophobicContact CG2-CG1 3.77Å; T71-I164 HydrophobicContact CG2-CG2 3.79Å
72	F	95.9	Very high	93	Very high	25 Å²	25	29.8 Å²	29.8	11%	0.11	16%	0.156	C	C	.	.			trans	-110	13.4	171.2	-73.1	-88.2	0	0	0	112.7	T5 T35 R67 A69 R74	T5-F72 WeakPolarHBondContact OG1-CD2 3.4Å; T5-F72 VanDerWaalsContact OG1-CE2 3.25Å; T5-F72 WeakPolarHBondContact OG1-CE2 3.42Å; T35-F72 HydrophobicContact CG2-CD1 4.45Å; T35-F72 HydrophobicContact CG2-CE1 3.72Å; T35-F72 HydrophobicContact CG2-CZ 4.25Å; R67-F72 HydrophobicContact CB-CE1 4.05Å; R67-F72 HydrophobicContact CB-CZ 3.72Å; R67-F72 WeakPolarHBondContact O-CZ 3.12Å; A69-F72 HydrophobicContact CB-CD2 4.17Å; A69-F72 HydrophobicContact CB-CE1 4.28Å; A69-F72 HydrophobicContact CB-CE2 3.76Å; A69-F72 HydrophobicContact CB-CZ 3.82Å; F72-R74 WeakPolarHBondContact O-CG 3.4Å; F72-R74 PolarHBondContact O-NE 3.41Å
73	I	98.1	Very high	93.4	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.118	18%	0.176	C	C	.	.			trans	-65.8	137.6	171.5	-63.7	165.3	0	0	0	109.2	T71 F78 L104 Y107 V108 F112 I163	T71-I73 WeakPolarHBondContact OG1-CD1 3.29Å; T71-I73 VanDerWaalsContact OG1-CG1 3.32Å; T71-I73 WeakPolarHBondContact OG1-CG1 3.3Å; T71-I73 PolarHBondContact OG1-N 3.24Å; T71-I73 VanDerWaalsContact OG1-N 3.12Å; I73-F78 HydrophobicContact CG2-CE2 3.77Å; I73-F78 HydrophobicContact CG2-CZ 4.23Å; I73-L104 HydrophobicContact CD1-CD1 3.87Å; I73-L104 HydrophobicContact CG1-CD1 4.39Å; I73-L104 HydrophobicContact CG2-CD1 4.35Å; I73-Y107 HydrophobicContact CD1-CD1 4.11Å; I73-Y107 HydrophobicContact CD1-CE1 3.89Å; I73-V108 HydrophobicContact CD1-CG2 3.57Å; I73-V108 HydrophobicContact CG2-CG2 4.02Å; I73-F112 HydrophobicContact CD1-CE2 4.39Å; I73-I163 HydrophobicContact CB-CG2 3.78Å; I73-I163 HydrophobicContact CG2-CB 4.12Å; I73-I163 HydrophobicContact CG2-CG2 3.74Å; I73-I163 WeakPolarHBondContact O-CG2 3.23Å; I73-I163 PolarHBondContact O-N 3.28Å; I73-I163 VanDerWaalsContact O-N 3.07Å
74	R	98	Very high	93.9	Very high	38 Å²	38	36.5 Å²	36.5	14%	0.143	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-130.1	169.2	-170.2	-41.6	-174.4	-159.5	180	-1.9	109.6	F72 G76 S77 F78 D159 M161 I168 D169	F72-R74 WeakPolarHBondContact O-CG 3.4Å; F72-R74 PolarHBondContact O-NE 3.41Å; R74-G76 VanDerWaalsContact C-N 3.27Å; R74-G76 PolarHBondContact O-N 3.15Å; R74-S77 PolarHBondContact N-OG 2.8Å; R74-S77 VanDerWaalsContact N-OG 3.12Å; R74-S77 VanDerWaalsContact O-CB 3.23Å; R74-S77 WeakPolarHBondContact O-CB 3.36Å; R74-S77 PolarHBondContact O-N 2.69Å; R74-S77 PolarHBondContact O-OG 3.14Å; R74-F78 VanDerWaalsContact O-CD2 3.26Å; R74-F78 WeakPolarHBondContact O-CD2 3.34Å; R74-F78 WeakPolarHBondContact O-CE2 3.38Å; R74-D159 WeakPolarHBondContact CD-O 3.45Å; R74-D159 PolarHBondContact NH1-O 3.09Å; R74-M161 CarbonylContact C-O 3.43Å; R74-M161 WeakPolarHBondContact CA-O 3.25Å; R74-M161 WeakPolarHBondContact CB-O 3.31Å; R74-I168 HydrophobicContact CG-CD1 3.95Å; R74-D169 IonicContact CZ-OD2 2.87Å; R74-D169 IonicContact NH1-OD2 2.94Å; R74-D169 PolarHBondContact NH1-OD2 2.98Å; R74-D169 IonicContact NH2-OD2 2.67Å
75	F	98.3	Very high	94.2	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61	-43	175.1	-64.7	7	0	0	0	110.3	S77 F78 V135 T158 M161 S162 I163 N206 L210	F75-S77 PolarHBondContact O-N 3.04Å; F75-F78 WeakPolarHBondContact O-CB 3.13Å; F75-F78 PolarHBondContact O-N 3.41Å; F75-V135 HydrophobicContact CE1-CG1 3.53Å; F75-V135 HydrophobicContact CZ-CG1 3.55Å; F75-T158 WeakPolarHBondContact CB-O 3.5Å; F75-T158 PolarHBondContact N-O 3.03Å; F75-M161 HydrophobicContact CB-CB 4.22Å; F75-M161 HydrophobicContact CD1-CB 4.01Å; F75-M161 HydrophobicContact CD2-CB 3.62Å; F75-M161 HydrophobicContact CD2-CG 4.17Å; F75-M161 HydrophobicContact CE1-CB 4.24Å; F75-M161 HydrophobicContact CE2-CB 3.88Å; F75-M161 HydrophobicContact CE2-CG 4.34Å; F75-M161 HydrophobicContact CG-CB 3.68Å; F75-M161 HydrophobicContact CZ-CB 4.18Å; F75-M161 PolarHBondContact N-O 3.24Å; F75-S162 WeakPolarHBondContact CE1-O 3.34Å; F75-I163 HydrophobicContact CD1-CD1 3.85Å; F75-I163 HydrophobicContact CE1-CD1 3.98Å; F75-N206 HydrophobicContact CD2-CB 3.92Å; F75-N206 WeakPolarHBondContact CD2-O 3.43Å; F75-N206 HydrophobicContact CE2-CB 4.11Å; F75-L210 HydrophobicContact CB-CB 4.46Å; F75-L210 HydrophobicContact CD1-CD2 3.9Å; F75-L210 HydrophobicContact CD2-CB 4.06Å; F75-L210 HydrophobicContact CD2-CD2 4.43Å; F75-L210 HydrophobicContact CE1-CD2 3.86Å; F75-L210 HydrophobicContact CE2-CB 4.5Å; F75-L210 HydrophobicContact CE2-CD2 4.39Å; F75-L210 HydrophobicContact CG-CB 4.18Å; F75-L210 HydrophobicContact CG-CD2 4.21Å; F75-L210 HydrophobicContact CZ-CD2 4.12Å
76	G	97.1	Very high	94.5	Very high	20 Å²	20	41 Å²	41	21%	0.206	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.2	-17.3	176	0	0	0	0	0	114.4	R74 F78 E79 T158	R74-G76 VanDerWaalsContact C-N 3.27Å; R74-G76 PolarHBondContact O-N 3.15Å; G76-F78 PolarHBondContact O-N 2.93Å; G76-E79 PolarHBondContact O-N 3.28Å; G76-T158 PolarHBondContact N-O 2.96Å
77	S	97.5	Very high	94.6	Very high	40 Å²	40	48 Å²	48	28%	0.28	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-67	-26.1	172.5	-54.7	0	0	0	0	112.6	R74 F75 E79	R74-S77 PolarHBondContact N-OG 2.8Å; R74-S77 VanDerWaalsContact N-OG 3.12Å; R74-S77 VanDerWaalsContact O-CB 3.23Å; R74-S77 WeakPolarHBondContact O-CB 3.36Å; R74-S77 PolarHBondContact O-N 2.69Å; R74-S77 PolarHBondContact O-OG 3.14Å; F75-S77 PolarHBondContact O-N 3.04Å; S77-E79 VanDerWaalsContact C-N 3.34Å
78	F	98.3	Very high	94.7	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-82.9	-13.8	178.9	-63.5	-99.4	0	0	0	112.4	I73 R74 F75 G76 I80 V101 L104 T105 V108 I163 L210 C213 L214	I73-F78 HydrophobicContact CG2-CE2 3.77Å; I73-F78 HydrophobicContact CG2-CZ 4.23Å; R74-F78 VanDerWaalsContact O-CD2 3.26Å; R74-F78 WeakPolarHBondContact O-CD2 3.34Å; R74-F78 WeakPolarHBondContact O-CE2 3.38Å; F75-F78 WeakPolarHBondContact O-CB 3.13Å; F75-F78 PolarHBondContact O-N 3.41Å; G76-F78 PolarHBondContact O-N 2.93Å; F78-I80 PolarHBondContact O-N 3.4Å; F78-V101 HydrophobicContact CB-CG1 4.34Å; F78-V101 HydrophobicContact CD1-CG1 3.99Å; F78-L104 HydrophobicContact CD1-CD2 4.13Å; F78-L104 HydrophobicContact CD1-CG 4.48Å; F78-L104 HydrophobicContact CD2-CD2 4.4Å; F78-L104 HydrophobicContact CE1-CD2 4.13Å; F78-L104 HydrophobicContact CE1-CG 4.05Å; F78-L104 HydrophobicContact CE2-CD2 4.38Å; F78-L104 HydrophobicContact CG-CD2 4.27Å; F78-L104 HydrophobicContact CZ-CD2 4.25Å; F78-L104 HydrophobicContact CZ-CG 4.19Å; F78-T105 WeakPolarHBondContact CE1-OG1 3.06Å; F78-V108 HydrophobicContact CZ-CG2 4.19Å; F78-I163 HydrophobicContact CD2-CD1 4.37Å; F78-I163 HydrophobicContact CE2-CB 4.33Å; F78-I163 HydrophobicContact CE2-CD1 3.54Å; F78-I163 HydrophobicContact CE2-CG1 3.71Å; F78-I163 HydrophobicContact CZ-CD1 3.91Å; F78-I163 HydrophobicContact CZ-CG1 3.88Å; F78-L210 HydrophobicContact CB-CD1 4.16Å; F78-L210 HydrophobicContact CD1-CD1 4.34Å; F78-L210 HydrophobicContact CD2-CD1 3.74Å; F78-L210 HydrophobicContact CE2-CD1 4.23Å; F78-L210 HydrophobicContact CG-CD1 3.82Å; F78-C213 HydrophobicContact CB-CB 3.78Å; F78-L214 HydrophobicContact CD1-CD2 4.32Å; F78-L214 HydrophobicContact CE1-CD2 4.4Å
79	E	96.8	Very high	94.7	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-79.1	5	175.2	-60.7	178.2	-171.4	0	0	112.6	G76 S77 S81 K82 T158	G76-E79 PolarHBondContact O-N 3.28Å; S77-E79 VanDerWaalsContact C-N 3.34Å; E79-S81 PolarHBondContact O-N 3.11Å; E79-S81 VanDerWaalsContact O-N 3.15Å; E79-K82 HydrophobicContact CB-CB 4.38Å; E79-K82 WeakPolarHBondContact O-CB 3.19Å; E79-K82 PolarHBondContact O-N 3.21Å; E79-T158 VanDerWaalsContact OE1-CB 3.23Å; E79-T158 WeakPolarHBondContact OE1-CB 3.38Å; E79-T158 VanDerWaalsContact OE1-CG2 3.29Å; E79-T158 WeakPolarHBondContact OE1-CG2 3.48Å; E79-T158 PolarHBondContact OE1-OG1 3.5Å; E79-T158 PolarHBondContact OE2-OG1 3.33Å
80	I	96	Very high	94.5	Very high	50 Å²	50	61.2 Å²	61.2	26%	0.256	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-60.3	-26.9	-173.7	-161.4	172.8	0	0	0	114	F78 G92 P93 S94 I100 V101	F78-I80 PolarHBondContact O-N 3.4Å; I80-G92 CarbonylContact O-C 3.59Å; I80-G92 WeakPolarHBondContact O-CA 3.42Å; I80-P93 HydrophobicContact CD1-CG 4.49Å; I80-P93 HydrophobicContact CG1-CG 3.73Å; I80-P93 WeakPolarHBondContact O-CD 3.35Å; I80-S94 CarbonylContact O-C 3.5Å; I80-S94 WeakPolarHBondContact O-CA 3.33Å; I80-S94 PolarHBondContact O-N 2.84Å; I80-I100 HydrophobicContact CD1-CD1 4.01Å; I80-I100 HydrophobicContact CG2-CD1 4.42Å; I80-I100 HydrophobicContact CG2-CG1 4.46Å; I80-I100 HydrophobicContact CG2-CG2 3.87Å; I80-V101 HydrophobicContact CG2-CG2 4.05Å
81	S	94.6	Very high	94.4	Very high	17 Å²	17	61.6 Å²	61.6	12%	0.119	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-107.2	9.5	176.7	64.6	0	0	0	0	113.7	E79 S83 S94 V101	E79-S81 PolarHBondContact O-N 3.11Å; E79-S81 VanDerWaalsContact O-N 3.15Å; S81-S83 PolarHBondContact O-N 3.24Å; S81-S94 WeakPolarHBondContact CB-O 3.22Å; S81-V101 WeakPolarHBondContact OG-CG2 3.26Å
82	K	93.2	Very high	94.2	Very high	84 Å²	84	61.7 Å²	61.7	37%	0.365	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-61.2	125.8	-175.8	-172.3	175.8	179.9	176.2	0	111.3	E79 F91 G92 V95	E79-K82 HydrophobicContact CB-CB 4.38Å; E79-K82 WeakPolarHBondContact O-CB 3.19Å; E79-K82 PolarHBondContact O-N 3.21Å; K82-F91 WeakPolarHBondContact O-CA 3.45Å; K82-G92 PolarHBondContact O-N 3.01Å; K82-V95 WeakPolarHBondContact O-CG2 3.14Å
83	S	92.4	Very high	94.2	Very high	79 Å²	79	66 Å²	66	55%	0.552	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-56.9	160.1	176.1	-60.5	0	0	0	0	112.9	S81 D85	S81-S83 PolarHBondContact O-N 3.24Å; S83-D85 PolarHBondContact O-N 3.29Å
84	P	92.2	Very high	94.1	Very high	80 Å²	80	66.5 Å²	66.5	52%	0.519	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-52	124.4	176.7	-25.8	34.2	0	0	0	113.1	R90 F91	P84-R90 CarbonylContact C-O 3.59Å; P84-R90 WeakPolarHBondContact CA-O 3.38Å; P84-F91 HydrophobicContact CB-CB 4.35Å; P84-F91 HydrophobicContact CG-CB 3.99Å; P84-F91 HydrophobicContact CG-CD1 4.2Å; P84-F91 HydrophobicContact CG-CG 4.35Å
85	D	89.5	Confident	93.9	Very high	57 Å²	57	67.6 Å²	67.6	31%	0.305	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.3	170.5	-176.2	-89.9	0	0	0	109.9	S83 I87 T88 G89 R90	S83-D85 PolarHBondContact O-N 3.29Å; D85-I87 PolarHBondContact O-N 3Å; D85-I87 WeakPolarHBondContact OD1-CA 3.27Å; D85-I87 WeakPolarHBondContact OD1-CB 3.38Å; D85-I87 PolarHBondContact OD1-N 2.88Å; D85-T88 PolarHBondContact OD1-N 3.11Å; D85-G89 WeakPolarHBondContact O-CA 3.47Å; D85-G89 PolarHBondContact O-N 2.94Å; D85-R90 PolarHBondContact N-O 2.75Å
86	S	90.3	Very high	93.6	Very high	121 Å²	121	70.6 Å²	70.6	85%	0.846	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.5	-174.7	53.4	0	0	0	0	113.7
87	I	89.6	Confident	93.4	Very high	153 Å²	153	72.6 Å²	72.6	79%	0.785	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-50.6	-177.4	-59	173.3	0	0	0	109.9	D85	D85-I87 PolarHBondContact O-N 3Å; D85-I87 WeakPolarHBondContact OD1-CA 3.27Å; D85-I87 WeakPolarHBondContact OD1-CB 3.38Å; D85-I87 PolarHBondContact OD1-N 2.88Å
88	T	91.6	Very high	93.2	Very high	83 Å²	83	73.6 Å²	73.6	51%	0.509	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-11.5	-172.7	76.7	0	0	0	0	113.6	D85 R90	D85-T88 PolarHBondContact OD1-N 3.11Å; T88-R90 PolarHBondContact O-N 2.69Å; T88-R90 VanDerWaalsContact O-N 3.07Å; T88-R90 WeakPolarHBondContact OG1-CB 3.38Å; T88-R90 WeakPolarHBondContact OG1-CG 3.4Å; T88-R90 PolarHBondContact OG1-N 3.1Å
89	G	92.2	Very high	93.1	Very high	43 Å²	43	75.5 Å²	75.5	44%	0.443	44%	0.438	S	S	.	.			trans	62.9	10.6	-173.5	0	0	0	0	0	114.3	D85 F91	D85-G89 WeakPolarHBondContact O-CA 3.47Å; D85-G89 PolarHBondContact O-N 2.94Å; G89-F91 WeakPolarHBondContact O-CD1 3.39Å
90	R	91.7	Very high	93.1	Very high	195 Å²	195	75.3 Å²	75.3	74%	0.736	44%	0.438	S	S	*	.			trans	-83.3	143.9	-176.6	-69.7	179.3	178.8	177.4	0.5	109.4	P84 D85 T88	P84-R90 CarbonylContact C-O 3.59Å; P84-R90 WeakPolarHBondContact CA-O 3.38Å; D85-R90 PolarHBondContact N-O 2.75Å; T88-R90 PolarHBondContact O-N 2.69Å; T88-R90 VanDerWaalsContact O-N 3.07Å; T88-R90 WeakPolarHBondContact OG1-CB 3.38Å; T88-R90 WeakPolarHBondContact OG1-CG 3.4Å; T88-R90 PolarHBondContact OG1-N 3.1Å
91	F	92.8	Very high	93.2	Very high	135 Å²	135	73.1 Å²	73.1	59%	0.592	43%	0.428	S	S	*	.			trans	-143.7	160.6	-177.2	55.9	-92.9	0	0	0	111	K82 P84 G89 V95	K82-F91 WeakPolarHBondContact O-CA 3.45Å; P84-F91 HydrophobicContact CB-CB 4.35Å; P84-F91 HydrophobicContact CG-CB 3.99Å; P84-F91 HydrophobicContact CG-CD1 4.2Å; P84-F91 HydrophobicContact CG-CG 4.35Å; G89-F91 WeakPolarHBondContact O-CD1 3.39Å; F91-V95 HydrophobicContact CB-CG2 3.68Å; F91-V95 HydrophobicContact CD2-CG2 3.9Å; F91-V95 HydrophobicContact CG-CG2 4.2Å
92	G	92.9	Very high	93.4	Very high	6 Å²	6	72.7 Å²	72.7	6%	0.062	43%	0.425	C	S	.	.			trans	-70.4	146.8	176.1	0	0	0	0	0	111.9	I80 K82 S94 V95	I80-G92 CarbonylContact O-C 3.59Å; I80-G92 WeakPolarHBondContact O-CA 3.42Å; K82-G92 PolarHBondContact O-N 3.01Å; G92-S94 PolarHBondContact O-N 2.82Å; G92-V95 WeakPolarHBondContact O-CG2 3.49Å; G92-V95 PolarHBondContact O-N 2.83Å
93	P	95.5	Very high	93.6	Very high	114 Å²	114	74.4 Å²	74.4	74%	0.74	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-7	-174.9	29.6	-37.6	0	0	0	114.6	I80	I80-P93 HydrophobicContact CD1-CG 4.49Å; I80-P93 HydrophobicContact CG1-CG 3.73Å; I80-P93 WeakPolarHBondContact O-CD 3.35Å
94	S	96.1	Very high	93.9	Very high	34 Å²	34	72.5 Å²	72.5	24%	0.238	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	32.1	178.8	-55.5	0	0	0	0	112.2	I80 S81 G92 G96 N97	I80-S94 CarbonylContact O-C 3.5Å; I80-S94 WeakPolarHBondContact O-CA 3.33Å; I80-S94 PolarHBondContact O-N 2.84Å; S81-S94 WeakPolarHBondContact CB-O 3.22Å; G92-S94 PolarHBondContact O-N 2.82Å; S94-G96 PolarHBondContact O-N 2.78Å; S94-N97 VanDerWaalsContact O-CB 3.27Å; S94-N97 WeakPolarHBondContact O-CB 3.35Å; S94-N97 PolarHBondContact O-N 3.07Å
95	V	93.6	Very high	94.2	Very high	62 Å²	62	68.7 Å²	68.7	38%	0.376	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	138.1	172	172.7	0	0	0	0	111	K82 F91 G92 N97	K82-V95 WeakPolarHBondContact O-CG2 3.14Å; F91-V95 HydrophobicContact CB-CG2 3.68Å; F91-V95 HydrophobicContact CD2-CG2 3.9Å; F91-V95 HydrophobicContact CG-CG2 4.2Å; G92-V95 WeakPolarHBondContact O-CG2 3.49Å; G92-V95 PolarHBondContact O-N 2.83Å; V95-N97 PolarHBondContact O-N 3.43Å
96	G	90.8	Very high	94.6	Very high	63 Å²	63	67.5 Å²	67.5	65%	0.649	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-12.4	-177.3	0	0	0	0	0	114.2	S94 L98	S94-G96 PolarHBondContact O-N 2.78Å; G96-L98 PolarHBondContact O-N 2.85Å; G96-L98 VanDerWaalsContact O-N 3.12Å
97	N	94.6	Very high	95	Very high	62 Å²	62	65.9 Å²	65.9	33%	0.332	36%	0.362	S	S	.	.			trans	-76.9	99.8	169.7	-171	-28.5	0	0	0	110.3	S94 V95 T99 I100	S94-N97 VanDerWaalsContact O-CB 3.27Å; S94-N97 WeakPolarHBondContact O-CB 3.35Å; S94-N97 PolarHBondContact O-N 3.07Å; V95-N97 PolarHBondContact O-N 3.43Å; N97-T99 PolarHBondContact O-N 3.01Å; N97-T99 PolarHBondContact OD1-N 2.99Å; N97-T99 PolarHBondContact OD1-OG1 3.36Å; N97-I100 HydrophobicContact CB-CB 4.37Å; N97-I100 HydrophobicContact CB-CG2 3.94Å; N97-I100 PolarHBondContact OD1-N 3.1Å; N97-I100 VanDerWaalsContact OD1-N 3.11Å
98	L	93.1	Very high	95.4	Very high	61 Å²	61	58.6 Å²	58.6	32%	0.319	33%	0.325	S	S	.	.	S	Bend	trans	-69.8	-11.2	-177.4	-57.6	-176.7	0	0	0	114.2	G96 D220	G96-L98 PolarHBondContact O-N 2.85Å; G96-L98 VanDerWaalsContact O-N 3.12Å; L98-D220 HydrophobicContact CB-CB 4.01Å; L98-D220 HydrophobicContact CD2-CB 4.11Å; L98-D220 VanDerWaalsContact O-CB 3.3Å; L98-D220 WeakPolarHBondContact O-CB 3.37Å
99	T	95.9	Very high	95.8	Very high	41 Å²	41	54.7 Å²	54.7	25%	0.252	30%	0.301	S	S	.	.	S	Bend	trans	-113.1	-23.9	-169.8	64.6	0	0	0	0	114	N97 V101 S102 Q103 Y224	N97-T99 PolarHBondContact O-N 3.01Å; N97-T99 PolarHBondContact OD1-N 2.99Å; N97-T99 PolarHBondContact OD1-OG1 3.36Å; T99-V101 PolarHBondContact O-N 3.31Å; T99-S102 PolarHBondContact O-N 3.42Å; T99-S102 PolarHBondContact O-OG 2.79Å; T99-Q103 WeakPolarHBondContact O-CB 3.22Å; T99-Q103 VanDerWaalsContact O-CG 3.32Å; T99-Q103 WeakPolarHBondContact O-CG 3.39Å; T99-Q103 PolarHBondContact O-N 3.37Å; T99-Y224 HydrophobicContact CG2-CD2 4.35Å; T99-Y224 HydrophobicContact CG2-CE2 4.46Å
100	I	96.8	Very high	96.1	Very high	41 Å²	41	56.4 Å²	56.4	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-39.1	-169.2	-166.5	166.2	0	0	0	113.5	I80 N97 L104	I80-I100 HydrophobicContact CD1-CD1 4.01Å; I80-I100 HydrophobicContact CG2-CD1 4.42Å; I80-I100 HydrophobicContact CG2-CG1 4.46Å; I80-I100 HydrophobicContact CG2-CG2 3.87Å; N97-I100 HydrophobicContact CB-CB 4.37Å; N97-I100 HydrophobicContact CB-CG2 3.94Å; N97-I100 PolarHBondContact OD1-N 3.1Å; N97-I100 VanDerWaalsContact OD1-N 3.11Å; I100-L104 WeakPolarHBondContact O-CB 3.46Å; I100-L104 PolarHBondContact O-N 3.43Å
101	V	97.9	Very high	96.4	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-71.9	-38.7	-179.3	-176.9	0	0	0	0	110.9	F78 I80 S81 T99 L104 T105 A217	F78-V101 HydrophobicContact CB-CG1 4.34Å; F78-V101 HydrophobicContact CD1-CG1 3.99Å; I80-V101 HydrophobicContact CG2-CG2 4.05Å; S81-V101 WeakPolarHBondContact OG-CG2 3.26Å; T99-V101 PolarHBondContact O-N 3.31Å; V101-L104 PolarHBondContact O-N 3.2Å; V101-T105 WeakPolarHBondContact O-CB 3.1Å; V101-T105 PolarHBondContact O-N 3.36Å; V101-T105 PolarHBondContact O-OG1 2.99Å; V101-A217 HydrophobicContact CB-CB 4.09Å; V101-A217 HydrophobicContact CG1-CB 3.79Å
102	S	98	Very high	96.7	Very high	8 Å²	8	47.7 Å²	47.7	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-37.7	177.1	59.7	0	0	0	0	111.9	T99 T105 N106 Y128 Q221	T99-S102 PolarHBondContact O-N 3.42Å; T99-S102 PolarHBondContact O-OG 2.79Å; S102-T105 PolarHBondContact O-N 3.13Å; S102-N106 WeakPolarHBondContact O-CB 3.48Å; S102-N106 PolarHBondContact O-N 2.76Å; S102-N106 PolarHBondContact O-OD1 2.84Å; S102-Y128 WeakPolarHBondContact CA-OH 3.28Å; S102-Y128 WeakPolarHBondContact CB-OH 3.48Å; S102-Y128 PolarHBondContact O-OH 2.95Å; S102-Q221 VanDerWaalsContact CB-NE2 3.33Å
103	Q	97.8	Very high	96.9	Very high	120 Å²	120	47.4 Å²	47.4	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-59.8	-48.1	170.5	-73.2	174.9	-8.9	0	0	111.8	T99 T105 N106 Y107	T99-Q103 WeakPolarHBondContact O-CB 3.22Å; T99-Q103 VanDerWaalsContact O-CG 3.32Å; T99-Q103 WeakPolarHBondContact O-CG 3.39Å; T99-Q103 PolarHBondContact O-N 3.37Å; Q103-T105 VanDerWaalsContact C-N 3.34Å; Q103-T105 PolarHBondContact O-N 3.41Å; Q103-N106 PolarHBondContact O-N 2.92Å; Q103-Y107 WeakPolarHBondContact O-CB 3.45Å; Q103-Y107 PolarHBondContact O-N 3.47Å
104	L	98.6	Very high	97	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.199	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-44.9	176.4	177.6	61.3	0	0	0	111.4	I73 F78 I100 V101 Y107 V108	I73-L104 HydrophobicContact CD1-CD1 3.87Å; I73-L104 HydrophobicContact CG1-CD1 4.39Å; I73-L104 HydrophobicContact CG2-CD1 4.35Å; F78-L104 HydrophobicContact CD1-CD2 4.13Å; F78-L104 HydrophobicContact CD1-CG 4.48Å; F78-L104 HydrophobicContact CD2-CD2 4.4Å; F78-L104 HydrophobicContact CE1-CD2 4.13Å; F78-L104 HydrophobicContact CE1-CG 4.05Å; F78-L104 HydrophobicContact CE2-CD2 4.38Å; F78-L104 HydrophobicContact CG-CD2 4.27Å; F78-L104 HydrophobicContact CZ-CD2 4.25Å; F78-L104 HydrophobicContact CZ-CG 4.19Å; I100-L104 WeakPolarHBondContact O-CB 3.46Å; I100-L104 PolarHBondContact O-N 3.43Å; V101-L104 PolarHBondContact O-N 3.2Å; L104-Y107 PolarHBondContact O-N 2.66Å; L104-V108 HydrophobicContact CD1-CG2 4.25Å; L104-V108 WeakPolarHBondContact O-CB 3.14Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.44Å; L104-V108 PolarHBondContact O-N 3.02Å
105	T	98.7	Very high	97.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-50.1	179.3	-55	0	0	0	0	110.6	F78 V101 S102 Q103 Y107 V108 I109 Y128 F131 L214	F78-T105 WeakPolarHBondContact CE1-OG1 3.06Å; V101-T105 WeakPolarHBondContact O-CB 3.1Å; V101-T105 PolarHBondContact O-N 3.36Å; V101-T105 PolarHBondContact O-OG1 2.99Å; S102-T105 PolarHBondContact O-N 3.13Å; Q103-T105 VanDerWaalsContact C-N 3.34Å; Q103-T105 PolarHBondContact O-N 3.41Å; T105-Y107 VanDerWaalsContact C-N 3.33Å; T105-Y107 PolarHBondContact O-N 2.77Å; T105-V108 PolarHBondContact O-N 2.75Å; T105-V108 VanDerWaalsContact O-N 3.13Å; T105-I109 HydrophobicContact CG2-CD1 3.81Å; T105-I109 HydrophobicContact CG2-CG1 4.36Å; T105-I109 VanDerWaalsContact O-CG1 3.29Å; T105-I109 WeakPolarHBondContact O-CG1 3.21Å; T105-I109 PolarHBondContact O-N 2.78Å; T105-Y128 HydrophobicContact CG2-CD1 3.77Å; T105-Y128 HydrophobicContact CG2-CD2 4.08Å; T105-Y128 HydrophobicContact CG2-CE1 3.41Å; T105-Y128 VanDerWaalsContact CG2-CE1 3.41Å; T105-Y128 HydrophobicContact CG2-CE2 3.76Å; T105-Y128 HydrophobicContact CG2-CG 4.1Å; T105-Y128 VanDerWaalsContact CG2-CZ 3.42Å; T105-F131 HydrophobicContact CG2-CD1 4.11Å; T105-F131 HydrophobicContact CG2-CE1 4.01Å; T105-L214 HydrophobicContact CG2-CD2 3.72Å
106	N	98.6	Very high	97.4	Very high	33 Å²	33	45.8 Å²	45.8	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-45.5	178.2	-68.9	-1	0	0	0	111.5	S102 Q103 V108 I109 Q110 W117 Y128	S102-N106 WeakPolarHBondContact O-CB 3.48Å; S102-N106 PolarHBondContact O-N 2.76Å; S102-N106 PolarHBondContact O-OD1 2.84Å; Q103-N106 PolarHBondContact O-N 2.92Å; N106-V108 PolarHBondContact O-N 2.67Å; N106-I109 PolarHBondContact O-N 2.75Å; N106-Q110 WeakPolarHBondContact O-CB 3.49Å; N106-Q110 WeakPolarHBondContact O-CG 3.19Å; N106-Q110 PolarHBondContact O-N 2.69Å; N106-W117 HydrophobicContact CB-CH2 3.91Å; N106-W117 HydrophobicContact CB-CZ3 3.79Å; N106-Y128 VanDerWaalsContact OD1-CE1 3.22Å; N106-Y128 WeakPolarHBondContact OD1-CE1 3.37Å; N106-Y128 PolarHBondContact OD1-OH 3Å
107	Y	98.6	Very high	97.8	Very high	87 Å²	87	45.7 Å²	45.7	34%	0.341	22%	0.224	S	C	.	.	H	α-helix	trans	-58	-47	175.4	170.1	-97.7	0	0	0	111.8	H3 I73 Q103 L104 T105 I109 Q110 Q111 F112	H3-Y107 PolarHBondContact NE2-OH 3.1Å; I73-Y107 HydrophobicContact CD1-CD1 4.11Å; I73-Y107 HydrophobicContact CD1-CE1 3.89Å; Q103-Y107 WeakPolarHBondContact O-CB 3.45Å; Q103-Y107 PolarHBondContact O-N 3.47Å; L104-Y107 PolarHBondContact O-N 2.66Å; T105-Y107 VanDerWaalsContact C-N 3.33Å; T105-Y107 PolarHBondContact O-N 2.77Å; Y107-I109 PolarHBondContact O-N 3.09Å; Y107-Q110 PolarHBondContact O-N 3.18Å; Y107-Q111 HydrophobicContact CD2-CG 3.88Å; Y107-Q111 HydrophobicContact CE2-CG 3.56Å; Y107-Q111 HydrophobicContact CG-CG 4.5Å; Y107-Q111 WeakPolarHBondContact O-CB 3.49Å; Y107-Q111 WeakPolarHBondContact O-CG 3.46Å; Y107-Q111 PolarHBondContact O-N 3.2Å; Y107-F112 AromaticContact CE1-CE2 3.97Å; Y107-F112 HydrophobicContact CE1-CE2 3.97Å; Y107-F112 HydrophobicContact CE1-CZ 4.48Å
108	V	98.7	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-45.7	179.7	166.7	0	0	0	0	111.2	I73 F78 L104 T105 N106 F112 Y113 F131 I163	I73-V108 HydrophobicContact CD1-CG2 3.57Å; I73-V108 HydrophobicContact CG2-CG2 4.02Å; F78-V108 HydrophobicContact CZ-CG2 4.19Å; L104-V108 HydrophobicContact CD1-CG2 4.25Å; L104-V108 WeakPolarHBondContact O-CB 3.14Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.44Å; L104-V108 PolarHBondContact O-N 3.02Å; T105-V108 PolarHBondContact O-N 2.75Å; T105-V108 VanDerWaalsContact O-N 3.13Å; N106-V108 PolarHBondContact O-N 2.67Å; V108-F112 HydrophobicContact CB-CD2 4.44Å; V108-F112 HydrophobicContact CG1-CD2 4.24Å; V108-F112 WeakPolarHBondContact O-CB 3.49Å; V108-F112 WeakPolarHBondContact O-CD2 3.43Å; V108-F112 PolarHBondContact O-N 2.99Å; V108-Y113 HydrophobicContact CG1-CD2 4.14Å; V108-Y113 HydrophobicContact CG1-CE2 4.01Å; V108-F131 HydrophobicContact CG1-CE2 3.77Å; V108-F131 HydrophobicContact CG1-CZ 3.79Å; V108-I163 HydrophobicContact CG1-CG1 3.94Å; V108-I163 HydrophobicContact CG1-CG2 4.09Å
109	I	98.8	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-48.5	-179.5	-58.3	171.2	0	0	0	109.6	T105 N106 Y107 Q111 Y113 I116 W117 Y128 F131	T105-I109 HydrophobicContact CG2-CD1 3.81Å; T105-I109 HydrophobicContact CG2-CG1 4.36Å; T105-I109 VanDerWaalsContact O-CG1 3.29Å; T105-I109 WeakPolarHBondContact O-CG1 3.21Å; T105-I109 PolarHBondContact O-N 2.78Å; N106-I109 PolarHBondContact O-N 2.75Å; Y107-I109 PolarHBondContact O-N 3.09Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 3.1Å; I109-Y113 CarbonylContact O-C 3.47Å; I109-Y113 WeakPolarHBondContact O-CA 3.34Å; I109-Y113 PolarHBondContact O-N 3.16Å; I109-Y113 VanDerWaalsContact O-O 3.06Å; I109-I116 HydrophobicContact CG2-CB 3.99Å; I109-I116 HydrophobicContact CG2-CG2 4Å; I109-W117 HydrophobicContact CB-CE3 4.05Å; I109-W117 HydrophobicContact CG2-CB 3.93Å; I109-W117 HydrophobicContact CG2-CE3 3.99Å; I109-Y128 HydrophobicContact CD1-CD1 3.73Å; I109-Y128 HydrophobicContact CD1-CE1 3.96Å; I109-F131 HydrophobicContact CD1-CB 3.63Å; I109-F131 HydrophobicContact CD1-CD1 3.89Å; I109-F131 HydrophobicContact CD1-CD2 4.44Å; I109-F131 HydrophobicContact CD1-CG 3.73Å; I109-F131 HydrophobicContact CG1-CB 3.82Å; I109-F131 HydrophobicContact CG1-CD1 3.96Å; I109-F131 HydrophobicContact CG1-CD2 3.76Å; I109-F131 HydrophobicContact CG1-CE1 4.47Å; I109-F131 HydrophobicContact CG1-CE2 4.3Å; I109-F131 HydrophobicContact CG1-CG 3.56Å
110	Q	98.2	Very high	98.3	Very high	80 Å²	80	51.5 Å²	51.5	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-55.8	-44.9	177.9	-74.7	173.7	33.9	0	0	113.1	N106 Y107 W117	N106-Q110 WeakPolarHBondContact O-CB 3.49Å; N106-Q110 WeakPolarHBondContact O-CG 3.19Å; N106-Q110 PolarHBondContact O-N 2.69Å; Y107-Q110 PolarHBondContact O-N 3.18Å; Q110-W117 HydrophobicContact CB-CD2 4.37Å; Q110-W117 HydrophobicContact CB-CG 4.38Å; Q110-W117 HydrophobicContact CG-CB 4.41Å; Q110-W117 HydrophobicContact CG-CD2 3.2Å; Q110-W117 HydrophobicContact CG-CE3 3.62Å; Q110-W117 HydrophobicContact CG-CG 3.55Å; Q110-W117 HydrophobicContact CG-CH2 4.15Å; Q110-W117 HydrophobicContact CG-CZ2 3.8Å; Q110-W117 HydrophobicContact CG-CZ3 4.06Å
111	Q	98.3	Very high	98.3	Very high	112 Å²	112	51.5 Å²	51.5	52%	0.523	26%	0.259	S	S	.	.	H	α-helix	trans	-88.1	-34.1	-171.3	-64.8	-57.6	-44.1	0	0	113.8	Y107 I109	Y107-Q111 HydrophobicContact CD2-CG 3.88Å; Y107-Q111 HydrophobicContact CE2-CG 3.56Å; Y107-Q111 HydrophobicContact CG-CG 4.5Å; Y107-Q111 WeakPolarHBondContact O-CB 3.49Å; Y107-Q111 WeakPolarHBondContact O-CG 3.46Å; Y107-Q111 PolarHBondContact O-N 3.2Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 3.1Å
112	F	98.3	Very high	98.3	Very high	35 Å²	35	59.2 Å²	59.2	15%	0.154	30%	0.3	C	S	.	.	H	α-helix	trans	-117	-13.3	-170.6	-51	-64.7	0	0	0	113.8	K70 T71 I73 Y107 V108 P114 I164	K70-F112 HydrophobicContact CB-CE1 4.46Å; K70-F112 WeakPolarHBondContact O-CE1 3.39Å; T71-F112 VanDerWaalsContact CB-CZ 3.49Å; T71-F112 HydrophobicContact CG2-CD1 4.34Å; T71-F112 HydrophobicContact CG2-CD2 4.11Å; T71-F112 HydrophobicContact CG2-CE1 4.18Å; T71-F112 HydrophobicContact CG2-CE2 3.96Å; T71-F112 HydrophobicContact CG2-CG 4.32Å; T71-F112 HydrophobicContact CG2-CZ 4.01Å; I73-F112 HydrophobicContact CD1-CE2 4.39Å; Y107-F112 AromaticContact CE1-CE2 3.97Å; Y107-F112 HydrophobicContact CE1-CE2 3.97Å; Y107-F112 HydrophobicContact CE1-CZ 4.48Å; V108-F112 HydrophobicContact CB-CD2 4.44Å; V108-F112 HydrophobicContact CG1-CD2 4.24Å; V108-F112 WeakPolarHBondContact O-CB 3.49Å; V108-F112 WeakPolarHBondContact O-CD2 3.43Å; V108-F112 PolarHBondContact O-N 2.99Å; F112-P114 VanDerWaalsContact C-CD 3.43Å; F112-I164 HydrophobicContact CB-CG2 3.82Å; F112-I164 HydrophobicContact CG-CG2 4.14Å
113	Y	98.5	Very high	98.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.			trans	-133.3	51.4	175.4	-56.8	-86.9	0	0	0	111.5	V108 I109 H115 I116 W117 F131 E134 R138 I163 I164	V108-Y113 HydrophobicContact CG1-CD2 4.14Å; V108-Y113 HydrophobicContact CG1-CE2 4.01Å; I109-Y113 CarbonylContact O-C 3.47Å; I109-Y113 WeakPolarHBondContact O-CA 3.34Å; I109-Y113 PolarHBondContact O-N 3.16Å; I109-Y113 VanDerWaalsContact O-O 3.06Å; Y113-H115 PolarHBondContact O-N 2.67Å; Y113-H115 VanDerWaalsContact O-N 3.08Å; Y113-I116 HydrophobicContact CD1-CD1 4.14Å; Y113-I116 HydrophobicContact CG-CD1 4.35Å; Y113-I116 WeakPolarHBondContact O-CB 3.45Å; Y113-I116 PolarHBondContact O-N 2.68Å; Y113-W117 PolarHBondContact O-N 2.89Å; Y113-W117 VanDerWaalsContact O-N 3.13Å; Y113-F131 AromaticContact CD2-CD2 3.75Å; Y113-F131 HydrophobicContact CD2-CD2 3.75Å; Y113-F131 AromaticContact CD2-CE2 3.66Å; Y113-F131 HydrophobicContact CD2-CE2 3.66Å; Y113-F131 AromaticContact CE2-CD2 3.91Å; Y113-F131 HydrophobicContact CE2-CD2 3.91Å; Y113-F131 AromaticContact CE2-CE2 3.44Å; Y113-F131 HydrophobicContact CE2-CE2 3.44Å; Y113-F131 VanDerWaalsContact CE2-CE2 3.44Å; Y113-F131 HydrophobicContact CG-CD2 4.14Å; Y113-F131 HydrophobicContact CG-CE2 4.47Å; Y113-E134 HydrophobicContact CD1-CG 3.77Å; Y113-E134 HydrophobicContact CE1-CB 4.4Å; Y113-E134 HydrophobicContact CE1-CG 3.52Å; Y113-R138 VanDerWaalsContact CE1-CZ 3.48Å; Y113-I163 PolarHBondContact OH-O 3.36Å; Y113-I164 HydrophobicContact CE2-CG2 4.1Å; Y113-I164 WeakPolarHBondContact OH-CA 3.47Å
114	P	98.3	Very high	98.2	Very high	74 Å²	74	58.4 Å²	58.4	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-26.7	-169.2	24.5	-35.7	0	0	0	113.6	F112 W117 S118	F112-P114 VanDerWaalsContact C-CD 3.43Å; P114-W117 PolarHBondContact O-N 3.24Å; P114-S118 VanDerWaalsContact O-CB 3.31Å; P114-S118 WeakPolarHBondContact O-CB 3.5Å; P114-S118 PolarHBondContact O-N 2.68Å
115	H	98.3	Very high	98.1	Very high	96 Å²	96	58.8 Å²	58.8	44%	0.444	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-45.8	173.2	60.7	-77.6	0	0	0	111.4	Y113 W117 S118 D119	Y113-H115 PolarHBondContact O-N 2.67Å; Y113-H115 VanDerWaalsContact O-N 3.08Å; H115-W117 VanDerWaalsContact C-N 3.34Å; H115-W117 PolarHBondContact O-N 3.27Å; H115-S118 PolarHBondContact O-N 3.44Å; H115-D119 WeakPolarHBondContact O-CB 3.48Å; H115-D119 PolarHBondContact O-N 3.31Å
116	I	98.7	Very high	98	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-42.3	175.8	-54.7	-176.1	0	0	0	110.4	I109 Y113 D119 Y120 E130 F131 E134	I109-I116 HydrophobicContact CG2-CB 3.99Å; I109-I116 HydrophobicContact CG2-CG2 4Å; Y113-I116 HydrophobicContact CD1-CD1 4.14Å; Y113-I116 HydrophobicContact CG-CD1 4.35Å; Y113-I116 WeakPolarHBondContact O-CB 3.45Å; Y113-I116 PolarHBondContact O-N 2.68Å; I116-D119 PolarHBondContact O-N 3.47Å; I116-Y120 HydrophobicContact CG2-CD2 4.02Å; I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 WeakPolarHBondContact O-CD2 3.31Å; I116-Y120 PolarHBondContact O-N 3.45Å; I116-E130 HydrophobicContact CG2-CB 4.06Å; I116-F131 HydrophobicContact CD1-CB 4.44Å; I116-F131 HydrophobicContact CG2-CB 4.38Å; I116-E134 HydrophobicContact CD1-CB 3.92Å; I116-E134 HydrophobicContact CD1-CG 4.35Å
117	W	98.5	Very high	98	Very high	62 Å²	62	60 Å²	60	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-49.7	176.5	-171.4	-97.9	0	0	0	111.4	N106 I109 Q110 Y113 P114 H115 D119 Y120 S121 I124	N106-W117 HydrophobicContact CB-CH2 3.91Å; N106-W117 HydrophobicContact CB-CZ3 3.79Å; I109-W117 HydrophobicContact CB-CE3 4.05Å; I109-W117 HydrophobicContact CG2-CB 3.93Å; I109-W117 HydrophobicContact CG2-CE3 3.99Å; Q110-W117 HydrophobicContact CB-CD2 4.37Å; Q110-W117 HydrophobicContact CB-CG 4.38Å; Q110-W117 HydrophobicContact CG-CB 4.41Å; Q110-W117 HydrophobicContact CG-CD2 3.2Å; Q110-W117 HydrophobicContact CG-CE3 3.62Å; Q110-W117 HydrophobicContact CG-CG 3.55Å; Q110-W117 HydrophobicContact CG-CH2 4.15Å; Q110-W117 HydrophobicContact CG-CZ2 3.8Å; Q110-W117 HydrophobicContact CG-CZ3 4.06Å; Y113-W117 PolarHBondContact O-N 2.89Å; Y113-W117 VanDerWaalsContact O-N 3.13Å; P114-W117 PolarHBondContact O-N 3.24Å; H115-W117 VanDerWaalsContact C-N 3.34Å; H115-W117 PolarHBondContact O-N 3.27Å; W117-D119 VanDerWaalsContact C-N 3.3Å; W117-D119 PolarHBondContact O-N 2.89Å; W117-Y120 PolarHBondContact O-N 3.05Å; W117-S121 WeakPolarHBondContact O-CA 3.22Å; W117-S121 WeakPolarHBondContact O-CB 3.44Å; W117-S121 PolarHBondContact O-N 2.97Å; W117-S121 PolarHBondContact O-OG 3.29Å; W117-I124 HydrophobicContact CZ3-CD1 4.42Å
118	S	98.3	Very high	98	Very high	88 Å²	88	55.9 Å²	55.9	62%	0.615	29%	0.29	S	S	*	.	H	α-helix	trans	-57.3	-43.1	-179.4	-177	0	0	0	0	112.4	P114 H115	P114-S118 VanDerWaalsContact O-CB 3.31Å; P114-S118 WeakPolarHBondContact O-CB 3.5Å; P114-S118 PolarHBondContact O-N 2.68Å; H115-S118 PolarHBondContact O-N 3.44Å
119	D	98.5	Very high	98	Very high	113 Å²	113	56.5 Å²	56.5	60%	0.604	29%	0.293	S	S	*	.	H	α-helix	trans	-82.9	-28.7	-172.1	-63.3	-15.3	0	0	0	112.6	H115 I116 W117	H115-D119 WeakPolarHBondContact O-CB 3.48Å; H115-D119 PolarHBondContact O-N 3.31Å; I116-D119 PolarHBondContact O-N 3.47Å; W117-D119 VanDerWaalsContact C-N 3.3Å; W117-D119 PolarHBondContact O-N 2.89Å
120	Y	98.4	Very high	98	Very high	85 Å²	85	59.4 Å²	59.4	33%	0.333	31%	0.307	S	S	.	.	H	α-helix	trans	-125.5	0.7	-168.8	-57.5	-80.1	0	0	0	115.2	I116 W117 N122 D123 N126 C127 E130	I116-Y120 HydrophobicContact CG2-CD2 4.02Å; I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 WeakPolarHBondContact O-CD2 3.31Å; I116-Y120 PolarHBondContact O-N 3.45Å; W117-Y120 PolarHBondContact O-N 3.05Å; Y120-N122 PolarHBondContact O-N 3.13Å; Y120-D123 CarbonylContact O-C 3.58Å; Y120-D123 VanDerWaalsContact O-C 3.22Å; Y120-D123 PolarHBondContact O-N 3.3Å; Y120-N126 HydrophobicContact CD1-CB 4.24Å; Y120-C127 WeakPolarHBondContact O-CB 3.26Å; Y120-E130 HydrophobicContact CD2-CB 4.3Å; Y120-E130 HydrophobicContact CD2-CG 4.32Å; Y120-E130 HydrophobicContact CE1-CG 4.19Å; Y120-E130 HydrophobicContact CE2-CB 4.16Å; Y120-E130 HydrophobicContact CE2-CG 3.89Å
121	S	96.8	Very high	98.1	Very high	41 Å²	41	55.6 Å²	55.6	29%	0.287	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.2	-176.1	59.9	0	0	0	0	114.8	W117 D123	W117-S121 WeakPolarHBondContact O-CA 3.22Å; W117-S121 WeakPolarHBondContact O-CB 3.44Å; W117-S121 PolarHBondContact O-N 2.97Å; W117-S121 PolarHBondContact O-OG 3.29Å; S121-D123 VanDerWaalsContact C-N 3.3Å
122	N	97.1	Very high	98.1	Very high	166 Å²	166	50.2 Å²	50.2	89%	0.888	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-15.9	176.4	-64.4	-27.9	0	0	0	113.2	Y120	Y120-N122 PolarHBondContact O-N 3.13Å
123	D	97	Very high	98.1	Very high	63 Å²	63	51.5 Å²	51.5	34%	0.337	27%	0.269	S	S	.	.	S	Bend	trans	-128.6	89	174.3	-178.3	-15.3	0	0	0	109.1	Y120 S121 M125 N126 C127	Y120-D123 CarbonylContact O-C 3.58Å; Y120-D123 VanDerWaalsContact O-C 3.22Å; Y120-D123 PolarHBondContact O-N 3.3Å; S121-D123 VanDerWaalsContact C-N 3.3Å; D123-M125 PolarHBondContact O-N 3.48Å; D123-M125 PolarHBondContact OD1-N 2.81Å; D123-N126 HydrophobicContact CB-CB 4.3Å; D123-N126 PolarHBondContact O-N 2.8Å; D123-N126 PolarHBondContact OD1-N 3.13Å; D123-N126 PolarHBondContact OD2-ND2 3.39Å; D123-C127 WeakPolarHBondContact O-CB 3.46Å; D123-C127 PolarHBondContact O-N 2.83Å
124	I	96.3	Very high	98.1	Very high	48 Å²	48	53.8 Å²	53.8	25%	0.246	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-32	-172	-159.5	62.4	0	0	0	113.2	W117 C127 Y128 L218	W117-I124 HydrophobicContact CZ3-CD1 4.42Å; I124-C127 HydrophobicContact CD1-CB 4.46Å; I124-C127 WeakPolarHBondContact O-CB 3.28Å; I124-C127 PolarHBondContact O-N 3.31Å; I124-Y128 HydrophobicContact CD1-CD1 4.18Å; I124-Y128 HydrophobicContact CD1-CE1 3.6Å; I124-Y128 HydrophobicContact CG1-CD1 4.24Å; I124-Y128 HydrophobicContact CG1-CE1 3.79Å; I124-Y128 WeakPolarHBondContact O-CD1 3.31Å; I124-Y128 PolarHBondContact O-N 3.39Å; I124-L218 HydrophobicContact CG2-CD2 4.12Å
125	M	96.5	Very high	98.2	Very high	47 Å²	47	50.3 Å²	50.3	23%	0.232	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-49.4	178.6	176.1	-171.4	56.1	0	0	110.1	D123 C127 Y128 L129 L238 K241	D123-M125 PolarHBondContact O-N 3.48Å; D123-M125 PolarHBondContact OD1-N 2.81Å; M125-C127 VanDerWaalsContact C-N 3.33Å; M125-Y128 PolarHBondContact O-N 3.44Å; M125-L129 HydrophobicContact CG-CD1 4.31Å; M125-L129 WeakPolarHBondContact O-CG 3.26Å; M125-L129 PolarHBondContact O-N 3.35Å; M125-L129 VanDerWaalsContact O-N 3.1Å; M125-L238 HydrophobicContact CG-CD2 3.87Å; M125-L238 HydrophobicContact SD-CD2 3.86Å; M125-K241 VanDerWaalsContact CE-NZ 3.32Å; M125-K241 HydrophobicContact SD-CD 4.47Å; M125-K241 PolarHBondContact SD-NZ 2.77Å; M125-K241 VanDerWaalsContact SD-NZ 3.35Å
126	N	98	Very high	98.2	Very high	59 Å²	59	45.7 Å²	45.7	32%	0.316	24%	0.236	S	C	.	.	H	α-helix	trans	-68.1	-34.2	176.6	-80.3	-32.8	0	0	0	112	Y120 D123 Y128 L129 E130	Y120-N126 HydrophobicContact CD1-CB 4.24Å; D123-N126 HydrophobicContact CB-CB 4.3Å; D123-N126 PolarHBondContact O-N 2.8Å; D123-N126 PolarHBondContact OD1-N 3.13Å; D123-N126 PolarHBondContact OD2-ND2 3.39Å; N126-Y128 VanDerWaalsContact C-N 3.32Å; N126-Y128 PolarHBondContact O-N 3.19Å; N126-L129 PolarHBondContact O-N 3.05Å; N126-E130 PolarHBondContact O-N 2.76Å
127	C	98.7	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.3	-45.7	172.6	-169.6	0	0	0	0	111.7	Y120 D123 I124 M125 F131	Y120-C127 WeakPolarHBondContact O-CB 3.26Å; D123-C127 WeakPolarHBondContact O-CB 3.46Å; D123-C127 PolarHBondContact O-N 2.83Å; I124-C127 HydrophobicContact CD1-CB 4.46Å; I124-C127 WeakPolarHBondContact O-CB 3.28Å; I124-C127 PolarHBondContact O-N 3.31Å; M125-C127 VanDerWaalsContact C-N 3.33Å; C127-F131 VanDerWaalsContact O-CB 3.23Å; C127-F131 WeakPolarHBondContact O-CB 3.17Å; C127-F131 PolarHBondContact O-N 3.37Å
128	Y	98.7	Very high	98.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-71.3	-34.3	179.2	-76.7	20.3	0	0	0	112.2	S102 T105 N106 I109 I124 M125 N126 F132 L214 A217 L218	S102-Y128 WeakPolarHBondContact CA-OH 3.28Å; S102-Y128 WeakPolarHBondContact CB-OH 3.48Å; S102-Y128 PolarHBondContact O-OH 2.95Å; T105-Y128 HydrophobicContact CG2-CD1 3.77Å; T105-Y128 HydrophobicContact CG2-CD2 4.08Å; T105-Y128 HydrophobicContact CG2-CE1 3.41Å; T105-Y128 VanDerWaalsContact CG2-CE1 3.41Å; T105-Y128 HydrophobicContact CG2-CE2 3.76Å; T105-Y128 HydrophobicContact CG2-CG 4.1Å; T105-Y128 VanDerWaalsContact CG2-CZ 3.42Å; N106-Y128 VanDerWaalsContact OD1-CE1 3.22Å; N106-Y128 WeakPolarHBondContact OD1-CE1 3.37Å; N106-Y128 PolarHBondContact OD1-OH 3Å; I109-Y128 HydrophobicContact CD1-CD1 3.73Å; I109-Y128 HydrophobicContact CD1-CE1 3.96Å; I124-Y128 HydrophobicContact CD1-CD1 4.18Å; I124-Y128 HydrophobicContact CD1-CE1 3.6Å; I124-Y128 HydrophobicContact CG1-CD1 4.24Å; I124-Y128 HydrophobicContact CG1-CE1 3.79Å; I124-Y128 WeakPolarHBondContact O-CD1 3.31Å; I124-Y128 PolarHBondContact O-N 3.39Å; M125-Y128 PolarHBondContact O-N 3.44Å; N126-Y128 VanDerWaalsContact C-N 3.32Å; N126-Y128 PolarHBondContact O-N 3.19Å; Y128-F132 VanDerWaalsContact O-CB 3.23Å; Y128-F132 WeakPolarHBondContact O-CB 3.13Å; Y128-F132 PolarHBondContact O-N 3.22Å; Y128-L214 HydrophobicContact CD2-CD2 4.44Å; Y128-A217 HydrophobicContact CE2-CB 4.19Å; Y128-L218 HydrophobicContact CD2-CD1 4.18Å; Y128-L218 HydrophobicContact CD2-CD2 3.71Å; Y128-L218 HydrophobicContact CD2-CG 3.72Å; Y128-L218 HydrophobicContact CE2-CD2 4.03Å; Y128-L218 HydrophobicContact CE2-CG 4.19Å; Y128-L218 HydrophobicContact CG-CD2 4.24Å
129	L	98.6	Very high	98.2	Very high	12 Å²	12	45 Å²	45	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-46.9	176	-76.7	165.9	0	0	0	112.2	M125 N126 F132 K133 K241 F242 V245	M125-L129 HydrophobicContact CG-CD1 4.31Å; M125-L129 WeakPolarHBondContact O-CG 3.26Å; M125-L129 PolarHBondContact O-N 3.35Å; M125-L129 VanDerWaalsContact O-N 3.1Å; N126-L129 PolarHBondContact O-N 3.05Å; L129-F132 PolarHBondContact O-N 3.45Å; L129-K133 WeakPolarHBondContact O-CB 3.47Å; L129-K133 PolarHBondContact O-N 3.14Å; L129-K241 HydrophobicContact CD1-CB 4.11Å; L129-K241 HydrophobicContact CD1-CD 3.78Å; L129-K241 HydrophobicContact CD2-CB 3.82Å; L129-F242 HydrophobicContact CD2-CD1 4.23Å; L129-F242 HydrophobicContact CD2-CD2 3.54Å; L129-F242 HydrophobicContact CD2-CE1 4.26Å; L129-F242 HydrophobicContact CD2-CE2 3.58Å; L129-F242 HydrophobicContact CD2-CG 3.88Å; L129-F242 HydrophobicContact CD2-CZ 3.96Å; L129-F242 HydrophobicContact CG-CD2 4.43Å; L129-F242 HydrophobicContact CG-CE2 4Å; L129-F242 HydrophobicContact CG-CZ 4.22Å; L129-V245 HydrophobicContact CD2-CG2 4.31Å
130	E	98.7	Very high	98.2	Very high	61 Å²	61	39.6 Å²	39.6	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-69.4	-37.3	178	-71.7	-58.3	134.9	0	0	111.5	I116 Y120 N126 K133 E134	I116-E130 HydrophobicContact CG2-CB 4.06Å; Y120-E130 HydrophobicContact CD2-CB 4.3Å; Y120-E130 HydrophobicContact CD2-CG 4.32Å; Y120-E130 HydrophobicContact CE1-CG 4.19Å; Y120-E130 HydrophobicContact CE2-CB 4.16Å; Y120-E130 HydrophobicContact CE2-CG 3.89Å; N126-E130 PolarHBondContact O-N 2.76Å; E130-K133 PolarHBondContact O-N 2.73Å; E130-K133 IonicContact OE1-NZ 2.73Å; E130-K133 IonicContact OE2-NZ 3.95Å; E130-E134 PolarHBondContact O-N 3.04Å
131	F	98.8	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-49.9	169.1	164.9	-119.3	0	0	0	111.8	T105 V108 I109 Y113 I116 C127 K133 E134 V135 I163 L214	T105-F131 HydrophobicContact CG2-CD1 4.11Å; T105-F131 HydrophobicContact CG2-CE1 4.01Å; V108-F131 HydrophobicContact CG1-CE2 3.77Å; V108-F131 HydrophobicContact CG1-CZ 3.79Å; I109-F131 HydrophobicContact CD1-CB 3.63Å; I109-F131 HydrophobicContact CD1-CD1 3.89Å; I109-F131 HydrophobicContact CD1-CD2 4.44Å; I109-F131 HydrophobicContact CD1-CG 3.73Å; I109-F131 HydrophobicContact CG1-CB 3.82Å; I109-F131 HydrophobicContact CG1-CD1 3.96Å; I109-F131 HydrophobicContact CG1-CD2 3.76Å; I109-F131 HydrophobicContact CG1-CE1 4.47Å; I109-F131 HydrophobicContact CG1-CE2 4.3Å; I109-F131 HydrophobicContact CG1-CG 3.56Å; Y113-F131 AromaticContact CD2-CD2 3.75Å; Y113-F131 HydrophobicContact CD2-CD2 3.75Å; Y113-F131 AromaticContact CD2-CE2 3.66Å; Y113-F131 HydrophobicContact CD2-CE2 3.66Å; Y113-F131 AromaticContact CE2-CD2 3.91Å; Y113-F131 HydrophobicContact CE2-CD2 3.91Å; Y113-F131 AromaticContact CE2-CE2 3.44Å; Y113-F131 HydrophobicContact CE2-CE2 3.44Å; Y113-F131 VanDerWaalsContact CE2-CE2 3.44Å; Y113-F131 HydrophobicContact CG-CD2 4.14Å; Y113-F131 HydrophobicContact CG-CE2 4.47Å; I116-F131 HydrophobicContact CD1-CB 4.44Å; I116-F131 HydrophobicContact CG2-CB 4.38Å; C127-F131 VanDerWaalsContact O-CB 3.23Å; C127-F131 WeakPolarHBondContact O-CB 3.17Å; C127-F131 PolarHBondContact O-N 3.37Å; F131-K133 VanDerWaalsContact C-N 3.34Å; F131-K133 PolarHBondContact O-N 2.81Å; F131-E134 PolarHBondContact O-N 3.09Å; F131-V135 HydrophobicContact CD2-CG2 3.92Å; F131-V135 HydrophobicContact CE2-CG2 3.43Å; F131-V135 VanDerWaalsContact CE2-CG2 3.43Å; F131-V135 HydrophobicContact CZ-CG2 3.81Å; F131-V135 WeakPolarHBondContact O-CG2 3.41Å; F131-V135 PolarHBondContact O-N 3.47Å; F131-I163 HydrophobicContact CE2-CG1 4.28Å; F131-I163 HydrophobicContact CZ-CD1 3.75Å; F131-I163 HydrophobicContact CZ-CG1 3.75Å; F131-L214 HydrophobicContact CD1-CD1 4.16Å; F131-L214 HydrophobicContact CD1-CD2 4.47Å; F131-L214 HydrophobicContact CE1-CD1 4.13Å; F131-L214 HydrophobicContact CE1-CD2 4.11Å
132	F	98.9	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-44.1	179.4	177.9	-115.5	0	0	0	111.7	Y128 L129 E134 V135 V136 C207 L210 A211 L214 F242 V245 L246	Y128-F132 VanDerWaalsContact O-CB 3.23Å; Y128-F132 WeakPolarHBondContact O-CB 3.13Å; Y128-F132 PolarHBondContact O-N 3.22Å; L129-F132 PolarHBondContact O-N 3.45Å; F132-E134 VanDerWaalsContact C-N 3.34Å; F132-E134 PolarHBondContact O-N 3.25Å; F132-V135 PolarHBondContact O-N 2.75Å; F132-V136 HydrophobicContact CD1-CG2 4.22Å; F132-V136 HydrophobicContact CD2-CG2 4.21Å; F132-V136 HydrophobicContact CE1-CG2 3.77Å; F132-V136 HydrophobicContact CE2-CG2 3.74Å; F132-V136 HydrophobicContact CG-CG2 4.42Å; F132-V136 HydrophobicContact CZ-CG2 3.5Å; F132-V136 VanDerWaalsContact CZ-CG2 3.5Å; F132-V136 WeakPolarHBondContact O-CB 3.3Å; F132-V136 VanDerWaalsContact O-CG2 3.29Å; F132-V136 WeakPolarHBondContact O-CG2 3.43Å; F132-V136 PolarHBondContact O-N 3.16Å; F132-C207 HydrophobicContact CE2-CB 4.39Å; F132-C207 VanDerWaalsContact CE2-O 3.27Å; F132-C207 WeakPolarHBondContact CE2-O 3.11Å; F132-C207 HydrophobicContact CZ-CB 4.44Å; F132-L210 HydrophobicContact CD2-CD2 4.34Å; F132-A211 HydrophobicContact CD2-CB 4.5Å; F132-A211 HydrophobicContact CE1-CB 4.17Å; F132-A211 HydrophobicContact CE2-CB 3.83Å; F132-A211 HydrophobicContact CZ-CB 3.64Å; F132-L214 HydrophobicContact CB-CD1 3.91Å; F132-L214 HydrophobicContact CD2-CD1 3.94Å; F132-L214 HydrophobicContact CG-CD1 4.25Å; F132-F242 HydrophobicContact CB-CD1 4.09Å; F132-F242 HydrophobicContact CB-CE1 3.76Å; F132-F242 AromaticContact CD1-CD1 3.53Å; F132-F242 HydrophobicContact CD1-CD1 3.53Å; F132-F242 HydrophobicContact CD1-CE1 4.12Å; F132-F242 HydrophobicContact CD1-CG 4.46Å; F132-F242 HydrophobicContact CD2-CD1 4.4Å; F132-F242 HydrophobicContact CE1-CD1 4.06Å; F132-F242 WeakPolarHBondContact CE1-O 3.32Å; F132-F242 AromaticContact CG-CD1 3.73Å; F132-F242 HydrophobicContact CG-CD1 3.73Å; F132-F242 AromaticContact CG-CE1 3.9Å; F132-F242 HydrophobicContact CG-CE1 3.9Å; F132-V245 HydrophobicContact CD1-CB 3.98Å; F132-V245 HydrophobicContact CD1-CG1 3.62Å; F132-V245 HydrophobicContact CE1-CB 4.09Å; F132-V245 HydrophobicContact CE1-CG1 3.88Å; F132-L246 HydrophobicContact CE1-CB 4.45Å
133	K	98.8	Very high	98.4	Very high	61 Å²	61	27.9 Å²	27.9	27%	0.265	13%	0.133	S	C	.	.	H	α-helix	trans	-58.6	-42.3	176.4	-173.7	-178.6	-177.4	-176.8	0	112.6	L129 E130 F131 V136 K137 V245 T249	L129-K133 WeakPolarHBondContact O-CB 3.47Å; L129-K133 PolarHBondContact O-N 3.14Å; E130-K133 PolarHBondContact O-N 2.73Å; E130-K133 IonicContact OE1-NZ 2.73Å; E130-K133 IonicContact OE2-NZ 3.95Å; F131-K133 VanDerWaalsContact C-N 3.34Å; F131-K133 PolarHBondContact O-N 2.81Å; K133-V136 PolarHBondContact O-N 3.07Å; K133-K137 WeakPolarHBondContact O-CG 3.22Å; K133-K137 PolarHBondContact O-N 3.32Å; K133-V245 HydrophobicContact CB-CG1 3.67Å; K133-V245 HydrophobicContact CG-CG1 4.01Å; K133-T249 HydrophobicContact CG-CG2 4.34Å
134	E	98.8	Very high	98.5	Very high	48 Å²	48	24.9 Å²	24.9	22%	0.224	12%	0.117	C	C	.	.	H	α-helix	trans	-67.2	-40.7	176.1	178.9	62.5	-165.4	0	0	111.7	Y113 I116 E130 F131 F132 V136 K137 R138	Y113-E134 HydrophobicContact CD1-CG 3.77Å; Y113-E134 HydrophobicContact CE1-CB 4.4Å; Y113-E134 HydrophobicContact CE1-CG 3.52Å; I116-E134 HydrophobicContact CD1-CB 3.92Å; I116-E134 HydrophobicContact CD1-CG 4.35Å; E130-E134 PolarHBondContact O-N 3.04Å; F131-E134 PolarHBondContact O-N 3.09Å; F132-E134 VanDerWaalsContact C-N 3.34Å; F132-E134 PolarHBondContact O-N 3.25Å; E134-V136 VanDerWaalsContact C-N 3.35Å; E134-V136 PolarHBondContact O-N 3.4Å; E134-K137 PolarHBondContact O-N 3.46Å; E134-R138 WeakPolarHBondContact O-CB 3.27Å; E134-R138 WeakPolarHBondContact O-CG 3.48Å; E134-R138 PolarHBondContact O-N 2.89Å; E134-R138 IonicContact OE1-CZ 3.9Å; E134-R138 IonicContact OE1-NE 3.39Å; E134-R138 PolarHBondContact OE1-NE 2.83Å; E134-R138 IonicContact OE1-NH2 3.68Å; E134-R138 PolarHBondContact OE1-NH2 3.12Å
135	V	98.9	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-41.8	174.2	174.3	0	0	0	0	111.5	F75 F131 F132 R138 T139 I163 L210	F75-V135 HydrophobicContact CE1-CG1 3.53Å; F75-V135 HydrophobicContact CZ-CG1 3.55Å; F131-V135 HydrophobicContact CD2-CG2 3.92Å; F131-V135 HydrophobicContact CE2-CG2 3.43Å; F131-V135 VanDerWaalsContact CE2-CG2 3.43Å; F131-V135 HydrophobicContact CZ-CG2 3.81Å; F131-V135 WeakPolarHBondContact O-CG2 3.41Å; F131-V135 PolarHBondContact O-N 3.47Å; F132-V135 PolarHBondContact O-N 2.75Å; V135-R138 PolarHBondContact O-N 3.49Å; V135-T139 WeakPolarHBondContact O-CB 3.19Å; V135-T139 PolarHBondContact O-N 2.72Å; V135-T139 PolarHBondContact O-OG1 3Å; V135-I163 HydrophobicContact CG1-CD1 4.32Å; V135-I163 HydrophobicContact CG2-CD1 4.17Å; V135-L210 HydrophobicContact CB-CD2 4.43Å; V135-L210 HydrophobicContact CG1-CD2 3.69Å
136	V	98.9	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.3	-49.9	175.3	162.9	0	0	0	0	110.6	F132 K133 E134 R138 T139 A140 C207 L246 T249 Y250	F132-V136 HydrophobicContact CD1-CG2 4.22Å; F132-V136 HydrophobicContact CD2-CG2 4.21Å; F132-V136 HydrophobicContact CE1-CG2 3.77Å; F132-V136 HydrophobicContact CE2-CG2 3.74Å; F132-V136 HydrophobicContact CG-CG2 4.42Å; F132-V136 HydrophobicContact CZ-CG2 3.5Å; F132-V136 VanDerWaalsContact CZ-CG2 3.5Å; F132-V136 WeakPolarHBondContact O-CB 3.3Å; F132-V136 VanDerWaalsContact O-CG2 3.29Å; F132-V136 WeakPolarHBondContact O-CG2 3.43Å; F132-V136 PolarHBondContact O-N 3.16Å; K133-V136 PolarHBondContact O-N 3.07Å; E134-V136 VanDerWaalsContact C-N 3.35Å; E134-V136 PolarHBondContact O-N 3.4Å; V136-R138 PolarHBondContact O-N 3.22Å; V136-T139 PolarHBondContact O-N 3.23Å; V136-A140 WeakPolarHBondContact O-CB 3.33Å; V136-A140 PolarHBondContact O-N 3.41Å; V136-C207 HydrophobicContact CG2-CB 4.17Å; V136-L246 HydrophobicContact CG2-CD1 4.21Å; V136-T249 HydrophobicContact CG1-CG2 3.97Å; V136-Y250 HydrophobicContact CG1-CD2 4.02Å; V136-Y250 HydrophobicContact CG1-CG 4.41Å
137	K	98.9	Very high	98.7	Very high	64 Å²	64	18.4 Å²	18.4	28%	0.278	8%	0.083	S	C	.	.	H	α-helix	trans	-59.6	-46.8	176.7	-73.7	176.2	179.5	177.6	0	112.3	K133 E134 T139 A140 N141 T249 Y253	K133-K137 WeakPolarHBondContact O-CG 3.22Å; K133-K137 PolarHBondContact O-N 3.32Å; E134-K137 PolarHBondContact O-N 3.46Å; K137-T139 VanDerWaalsContact C-N 3.3Å; K137-T139 PolarHBondContact O-N 2.87Å; K137-A140 PolarHBondContact O-N 3.43Å; K137-N141 WeakPolarHBondContact O-CB 3.2Å; K137-N141 PolarHBondContact O-N 3.21Å; K137-T249 HydrophobicContact CD-CG2 4.37Å; K137-T249 HydrophobicContact CG-CG2 3.57Å; K137-Y253 HydrophobicContact CB-CD1 3.92Å; K137-Y253 HydrophobicContact CB-CE1 3.78Å; K137-Y253 HydrophobicContact CB-CG 4.4Å; K137-Y253 HydrophobicContact CD-CE2 4.45Å; K137-Y253 HydrophobicContact CG-CD1 4.17Å; K137-Y253 HydrophobicContact CG-CD2 4.25Å; K137-Y253 HydrophobicContact CG-CE1 4.29Å; K137-Y253 HydrophobicContact CG-CE2 4.41Å; K137-Y253 HydrophobicContact CG-CG 4.13Å; K137-Y253 VanDerWaalsContact O-CD1 3.31Å; K137-Y253 WeakPolarHBondContact O-CD1 3.04Å; K137-Y253 VanDerWaalsContact O-CE1 3.25Å; K137-Y253 WeakPolarHBondContact O-CE1 3.23Å
138	R	98.8	Very high	98.7	Very high	74 Å²	74	18.8 Å²	18.8	28%	0.279	9%	0.085	S	C	.	.	H	α-helix	trans	-61.6	-40.2	179.3	-74.8	-179.2	178	-153.4	7.8	112.3	Y113 E134 V135 V136 L142 I164	Y113-R138 VanDerWaalsContact CE1-CZ 3.48Å; E134-R138 WeakPolarHBondContact O-CB 3.27Å; E134-R138 WeakPolarHBondContact O-CG 3.48Å; E134-R138 PolarHBondContact O-N 2.89Å; E134-R138 IonicContact OE1-CZ 3.9Å; E134-R138 IonicContact OE1-NE 3.39Å; E134-R138 PolarHBondContact OE1-NE 2.83Å; E134-R138 IonicContact OE1-NH2 3.68Å; E134-R138 PolarHBondContact OE1-NH2 3.12Å; V135-R138 PolarHBondContact O-N 3.49Å; V136-R138 PolarHBondContact O-N 3.22Å; R138-L142 WeakPolarHBondContact O-CB 3.25Å; R138-L142 PolarHBondContact O-N 2.98Å; R138-I164 PolarHBondContact NH1-O 2.83Å
139	T	98.8	Very high	98.7	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-66.3	-47.8	177.4	-55.8	0	0	0	0	111	V135 V136 K137 N141 L142 V143 M161 C203 Y250	V135-T139 WeakPolarHBondContact O-CB 3.19Å; V135-T139 PolarHBondContact O-N 2.72Å; V135-T139 PolarHBondContact O-OG1 3Å; V136-T139 PolarHBondContact O-N 3.23Å; K137-T139 VanDerWaalsContact C-N 3.3Å; K137-T139 PolarHBondContact O-N 2.87Å; T139-N141 PolarHBondContact O-N 3.03Å; T139-L142 PolarHBondContact O-N 3.47Å; T139-V143 WeakPolarHBondContact O-CG1 3.42Å; T139-V143 PolarHBondContact O-N 2.97Å; T139-M161 HydrophobicContact CG2-CE 3.58Å; T139-C203 HydrophobicContact CG2-CB 3.88Å; T139-Y250 HydrophobicContact CG2-CE2 4.15Å
140	A	98.8	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-44	176	0	0	0	0	0	112.3	V136 K137 V143 A144 Y250 Y253 F254	V136-A140 WeakPolarHBondContact O-CB 3.33Å; V136-A140 PolarHBondContact O-N 3.41Å; K137-A140 PolarHBondContact O-N 3.43Å; A140-V143 WeakPolarHBondContact O-CG1 3.46Å; A140-A144 VanDerWaalsContact O-CB 3.31Å; A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 3.4Å; A140-Y250 HydrophobicContact CB-CD2 4.02Å; A140-Y250 HydrophobicContact CB-CE2 4.03Å; A140-Y250 HydrophobicContact CB-CG 4.48Å; A140-Y253 HydrophobicContact CB-CD1 4.05Å; A140-F254 HydrophobicContact CB-CB 4Å
141	N	98.8	Very high	98.4	Very high	40 Å²	40	15.8 Å²	15.8	21%	0.214	7%	0.072	C	C	.	.	H	α-helix	trans	-62.1	-45.8	173.7	169.7	82.2	0	0	0	111.9	K137 T139 V143 A144 L145 Y253 V257	K137-N141 WeakPolarHBondContact O-CB 3.2Å; K137-N141 PolarHBondContact O-N 3.21Å; T139-N141 PolarHBondContact O-N 3.03Å; N141-V143 PolarHBondContact O-N 3.45Å; N141-A144 PolarHBondContact O-N 3.48Å; N141-L145 VanDerWaalsContact O-CG 3.29Å; N141-L145 WeakPolarHBondContact O-CG 3.29Å; N141-L145 PolarHBondContact O-N 3.32Å; N141-Y253 HydrophobicContact CB-CE1 3.91Å; N141-V257 HydrophobicContact CB-CG2 4.38Å; N141-V257 WeakPolarHBondContact OD1-CG1 3.49Å
142	L	98.8	Very high	98.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-58.7	-49.6	-178.4	-179	64	0	0	0	112	I32 P33 R138 T139 L145 W146	I32-L142 HydrophobicContact CG2-CD1 3.85Å; P33-L142 HydrophobicContact CB-CD1 4.2Å; P33-L142 HydrophobicContact CG-CD1 4.36Å; R138-L142 WeakPolarHBondContact O-CB 3.25Å; R138-L142 PolarHBondContact O-N 2.98Å; T139-L142 PolarHBondContact O-N 3.47Å; L142-L145 WeakPolarHBondContact O-CB 3.4Å; L142-L145 PolarHBondContact O-N 2.75Å; L142-W146 HydrophobicContact CD1-CZ2 4.08Å; L142-W146 HydrophobicContact CD2-CH2 3.94Å; L142-W146 HydrophobicContact CD2-CZ2 3.51Å; L142-W146 HydrophobicContact CG-CD2 4.41Å; L142-W146 HydrophobicContact CG-CH2 4.2Å; L142-W146 HydrophobicContact CG-CZ2 3.57Å; L142-W146 PolarHBondContact O-N 2.95Å
143	V	98.6	Very high	98	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-70.6	-33.4	-179.8	67.9	0	0	0	0	112	T139 A140 N141 L145 W146 Q147 Q199 P200 C203 F254	T139-V143 WeakPolarHBondContact O-CG1 3.42Å; T139-V143 PolarHBondContact O-N 2.97Å; A140-V143 WeakPolarHBondContact O-CG1 3.46Å; N141-V143 PolarHBondContact O-N 3.45Å; V143-L145 VanDerWaalsContact C-N 3.31Å; V143-L145 PolarHBondContact O-N 3.04Å; V143-W146 HydrophobicContact CB-CE3 4.12Å; V143-W146 HydrophobicContact CG2-CE3 3.98Å; V143-W146 WeakPolarHBondContact O-CB 3.48Å; V143-W146 PolarHBondContact O-N 3.19Å; V143-Q147 VanDerWaalsContact O-CG 3.23Å; V143-Q147 WeakPolarHBondContact O-CG 3.47Å; V143-Q147 PolarHBondContact O-N 3.5Å; V143-Q199 HydrophobicContact CG2-CB 3.83Å; V143-P200 HydrophobicContact CG2-CG 4.19Å; V143-C203 HydrophobicContact CG1-CB 4.41Å; V143-F254 HydrophobicContact CG1-CD2 3.63Å; V143-F254 HydrophobicContact CG1-CE2 3.85Å
144	A	98.8	Very high	97.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.9	-43.4	170.9	0	0	0	0	0	111.7	A140 N141 Q147 T148 F254 V257	A140-A144 VanDerWaalsContact O-CB 3.31Å; A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 3.4Å; N141-A144 PolarHBondContact O-N 3.48Å; A144-Q147 PolarHBondContact O-N 3.3Å; A144-T148 WeakPolarHBondContact O-CG2 3.42Å; A144-T148 PolarHBondContact O-N 3.46Å; A144-T148 VanDerWaalsContact O-N 3.14Å; A144-F254 HydrophobicContact CB-CD2 3.71Å; A144-F254 HydrophobicContact CB-CE2 3.88Å; A144-V257 HydrophobicContact CB-CB 3.98Å; A144-V257 HydrophobicContact CB-CG1 3.76Å
145	L	98.7	Very high	97.2	Very high	8 Å²	8	12 Å²	12	4%	0.042	6%	0.057	C	C	.	.	H	α-helix	trans	-63	-42.3	175.8	-66.2	174.8	0	0	0	111.9	I32 N141 L142 V143 Q147 T148 R261	I32-L145 HydrophobicContact CD1-CB 4.31Å; I32-L145 HydrophobicContact CG1-CB 4.1Å; I32-L145 HydrophobicContact CG2-CB 4.26Å; N141-L145 VanDerWaalsContact O-CG 3.29Å; N141-L145 WeakPolarHBondContact O-CG 3.29Å; N141-L145 PolarHBondContact O-N 3.32Å; L142-L145 WeakPolarHBondContact O-CB 3.4Å; L142-L145 PolarHBondContact O-N 2.75Å; V143-L145 VanDerWaalsContact C-N 3.31Å; V143-L145 PolarHBondContact O-N 3.04Å; L145-Q147 VanDerWaalsContact C-N 3.34Å; L145-Q147 PolarHBondContact O-N 3.39Å; L145-T148 PolarHBondContact O-N 3.26Å; L145-T148 PolarHBondContact O-OG1 2.67Å; L145-R261 HydrophobicContact CD2-CG 4.1Å
146	W	98.5	Very high	96.9	Very high	3 Å²	3	12 Å²	12	1%	0.011	6%	0.057	C	C	.	.	H	α-helix	trans	-56.9	-47.3	174.3	-65.6	-16	0	0	0	112.3	L142 V143 T148 V149 G150 F151 H153 L156 T167	L142-W146 HydrophobicContact CD1-CZ2 4.08Å; L142-W146 HydrophobicContact CD2-CH2 3.94Å; L142-W146 HydrophobicContact CD2-CZ2 3.51Å; L142-W146 HydrophobicContact CG-CD2 4.41Å; L142-W146 HydrophobicContact CG-CH2 4.2Å; L142-W146 HydrophobicContact CG-CZ2 3.57Å; L142-W146 PolarHBondContact O-N 2.95Å; V143-W146 HydrophobicContact CB-CE3 4.12Å; V143-W146 HydrophobicContact CG2-CE3 3.98Å; V143-W146 WeakPolarHBondContact O-CB 3.48Å; V143-W146 PolarHBondContact O-N 3.19Å; W146-T148 VanDerWaalsContact C-N 3.3Å; W146-T148 PolarHBondContact O-N 3.17Å; W146-V149 WeakPolarHBondContact O-CG2 3.42Å; W146-V149 PolarHBondContact O-N 3.42Å; W146-G150 PolarHBondContact O-N 2.9Å; W146-F151 HydrophobicContact CB-CB 4.21Å; W146-F151 HydrophobicContact CB-CD1 3.9Å; W146-F151 AromaticContact CD1-CD1 3.57Å; W146-F151 AromaticContact CD2-CD1 3.88Å; W146-F151 HydrophobicContact CD2-CD1 3.88Å; W146-F151 HydrophobicContact CD2-CE1 4.1Å; W146-F151 AromaticContact CE2-CE1 4Å; W146-F151 AromaticContact CG-CD1 3.52Å; W146-F151 HydrophobicContact CG-CD1 3.52Å; W146-F151 HydrophobicContact CG-CE1 4.17Å; W146-F151 HydrophobicContact CG-CG 4.46Å; W146-F151 AromaticContact NE1-CD1 3.93Å; W146-F151 AromaticContact NE1-CE1 3.96Å; W146-F151 PolarHBondContact O-N 2.9Å; W146-H153 HydrophobicContact CH2-CB 4.48Å; W146-H153 HydrophobicContact CZ3-CB 4.26Å; W146-L156 HydrophobicContact CH2-CD2 3.85Å; W146-L156 HydrophobicContact CZ3-CD1 4.12Å; W146-L156 HydrophobicContact CZ3-CD2 3.78Å; W146-T167 HydrophobicContact CZ2-CG2 3.83Å; W146-T167 PolarHBondContact NE1-OG1 3.23Å
147	Q	98.2	Very high	96.7	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.033	7%	0.071	C	C	.	.	H	α-helix	trans	-58.6	-42.9	179.7	-65.6	-73.3	-64.1	0	0	111.1	V143 A144 L145 V149 G150 Y196 P200 F254 Y258 F294	V143-Q147 VanDerWaalsContact O-CG 3.23Å; V143-Q147 WeakPolarHBondContact O-CG 3.47Å; V143-Q147 PolarHBondContact O-N 3.5Å; A144-Q147 PolarHBondContact O-N 3.3Å; L145-Q147 VanDerWaalsContact C-N 3.34Å; L145-Q147 PolarHBondContact O-N 3.39Å; Q147-V149 PolarHBondContact O-N 2.92Å; Q147-G150 PolarHBondContact O-N 3.27Å; Q147-G150 VanDerWaalsContact O-N 3.16Å; Q147-Y196 WeakPolarHBondContact CA-OH 3.48Å; Q147-Y196 HydrophobicContact CB-CE2 4.49Å; Q147-Y196 PolarHBondContact NE2-O 3.06Å; Q147-Y196 PolarHBondContact O-OH 2.79Å; Q147-Y196 VanDerWaalsContact OE1-CE1 3.32Å; Q147-Y196 PolarHBondContact OE1-OH 3.49Å; Q147-P200 HydrophobicContact CG-CG 4.22Å; Q147-F254 HydrophobicContact CG-CE2 4.17Å; Q147-F254 HydrophobicContact CG-CZ 4.16Å; Q147-Y258 HydrophobicContact CB-CD2 3.95Å; Q147-Y258 HydrophobicContact CB-CE2 3.75Å; Q147-F294 WeakPolarHBondContact O-CZ 3.02Å
148	T	98.2	Very high	96.5	Very high	8 Å²	8	12.2 Å²	12.2	5%	0.049	6%	0.062	C	C	.	.	H	α-helix	trans	-66.7	-15.2	-175.8	64.7	0	0	0	0	115.1	A144 L145 W146 Y258 R261 M262 K265	A144-T148 WeakPolarHBondContact O-CG2 3.42Å; A144-T148 PolarHBondContact O-N 3.46Å; A144-T148 VanDerWaalsContact O-N 3.14Å; L145-T148 PolarHBondContact O-N 3.26Å; L145-T148 PolarHBondContact O-OG1 2.67Å; W146-T148 VanDerWaalsContact C-N 3.3Å; W146-T148 PolarHBondContact O-N 3.17Å; T148-Y258 HydrophobicContact CG2-CD2 3.88Å; T148-Y258 HydrophobicContact CG2-CE2 4.24Å; T148-R261 HydrophobicContact CG2-CB 3.44Å; T148-R261 VanDerWaalsContact CG2-CB 3.44Å; T148-R261 HydrophobicContact CG2-CG 4.25Å; T148-M262 HydrophobicContact CG2-CG 4.27Å; T148-M262 HydrophobicContact CG2-SD 4.14Å; T148-K265 WeakPolarHBondContact O-CD 3.32Å; T148-K265 WeakPolarHBondContact O-CE 3.43Å
149	V	97.3	Very high	96.3	Very high	10 Å²	10	12.2 Å²	12.2	6%	0.061	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	8.1	178.5	-58.7	0	0	0	0	113.1	I32 W146 Q147 F151 F175	I32-V149 HydrophobicContact CD1-CG1 4.45Å; I32-V149 HydrophobicContact CD1-CG2 3.59Å; W146-V149 WeakPolarHBondContact O-CG2 3.42Å; W146-V149 PolarHBondContact O-N 3.42Å; Q147-V149 PolarHBondContact O-N 2.92Å; V149-F151 VanDerWaalsContact C-N 3.26Å; V149-F151 HydrophobicContact CG2-CB 3.92Å; V149-F151 PolarHBondContact O-N 3.26Å; V149-F175 HydrophobicContact CB-CE1 4.41Å; V149-F175 HydrophobicContact CG2-CE1 3.92Å; V149-F175 WeakPolarHBondContact O-CD1 3.37Å
150	G	96.6	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	24.2	179.3	0	0	0	0	0	113	W146 Q147 F175 M176	W146-G150 PolarHBondContact O-N 2.9Å; Q147-G150 PolarHBondContact O-N 3.27Å; Q147-G150 VanDerWaalsContact O-N 3.16Å; G150-F175 CarbonylContact O-C 3.59Å; G150-F175 WeakPolarHBondContact O-CA 3.4Å; G150-M176 WeakPolarHBondContact O-CB 3.44Å; G150-M176 PolarHBondContact O-N 2.98Å
151	F	96.3	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.1	177.6	177.6	-98.7	0	0	0	110.7	T23 M27 W146 V149 H153 T167 Y170 F173 F175 Q199	T23-F151 HydrophobicContact CG2-CE2 4.49Å; M27-F151 HydrophobicContact CE-CD1 3.93Å; M27-F151 HydrophobicContact CE-CD2 4.15Å; M27-F151 HydrophobicContact CE-CE1 4.02Å; M27-F151 HydrophobicContact CE-CE2 4.25Å; M27-F151 HydrophobicContact CE-CG 3.98Å; M27-F151 HydrophobicContact CE-CZ 4.19Å; M27-F151 HydrophobicContact SD-CD2 4Å; M27-F151 HydrophobicContact SD-CE2 4.2Å; M27-F151 HydrophobicContact SD-CG 4.3Å; W146-F151 HydrophobicContact CB-CB 4.21Å; W146-F151 HydrophobicContact CB-CD1 3.9Å; W146-F151 AromaticContact CD1-CD1 3.57Å; W146-F151 AromaticContact CD2-CD1 3.88Å; W146-F151 HydrophobicContact CD2-CD1 3.88Å; W146-F151 HydrophobicContact CD2-CE1 4.1Å; W146-F151 AromaticContact CE2-CE1 4Å; W146-F151 AromaticContact CG-CD1 3.52Å; W146-F151 HydrophobicContact CG-CD1 3.52Å; W146-F151 HydrophobicContact CG-CE1 4.17Å; W146-F151 HydrophobicContact CG-CG 4.46Å; W146-F151 AromaticContact NE1-CD1 3.93Å; W146-F151 AromaticContact NE1-CE1 3.96Å; W146-F151 PolarHBondContact O-N 2.9Å; V149-F151 VanDerWaalsContact C-N 3.26Å; V149-F151 HydrophobicContact CG2-CB 3.92Å; V149-F151 PolarHBondContact O-N 3.26Å; F151-H153 HydrophobicContact CE1-CB 3.89Å; F151-H153 HydrophobicContact CZ-CB 4.46Å; F151-T167 HydrophobicContact CE1-CG2 4.21Å; F151-T167 HydrophobicContact CZ-CG2 4.24Å; F151-Y170 HydrophobicContact CE2-CE1 4.5Å; F151-Y170 HydrophobicContact CZ-CE1 4.2Å; F151-F173 HydrophobicContact CE2-CB 4.02Å; F151-F173 AromaticContact CE2-CD2 3.74Å; F151-F173 HydrophobicContact CE2-CD2 3.74Å; F151-F173 HydrophobicContact CE2-CG 4.17Å; F151-F173 HydrophobicContact CZ-CB 4.03Å; F151-F173 HydrophobicContact CZ-CD2 4.44Å; F151-F173 HydrophobicContact CZ-CG 4.45Å; F151-F175 HydrophobicContact CB-CD1 4.28Å; F151-F175 HydrophobicContact CB-CE1 4.06Å; F151-F175 HydrophobicContact CD2-CD2 4.26Å; F151-F175 HydrophobicContact CD2-CE1 4.22Å; F151-F175 AromaticContact CD2-CE2 3.88Å; F151-F175 HydrophobicContact CD2-CE2 3.88Å; F151-F175 AromaticContact CD2-CZ 3.86Å; F151-F175 HydrophobicContact CD2-CZ 3.86Å; F151-F175 HydrophobicContact CE2-CE2 4.44Å; F151-Q199 PolarHBondContact O-NE2 2.93Å
152	C	94.8	Very high	96.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	105.8	178.3	-166.1	0	0	0	0	111.4	G154 F173 G174 S185 Y194	C152-G154 PolarHBondContact O-N 3.21Å; C152-F173 CarbonylContact O-C 3.58Å; C152-F173 WeakPolarHBondContact O-CA 3.34Å; C152-G174 PolarHBondContact N-O 3.42Å; C152-G174 PolarHBondContact O-N 3.32Å; C152-S185 PolarHBondContact O-OG 3.14Å; C152-Y194 PolarHBondContact SG-O 2.86Å; C152-Y194 VanDerWaalsContact SG-O 3.38Å
153	H	93.2	Very high	96.1	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	115.4	172.2	-163.4	-49.2	0	0	0	109.4	W146 F151 V155 L156 I168 D169	W146-H153 HydrophobicContact CH2-CB 4.48Å; W146-H153 HydrophobicContact CZ3-CB 4.26Å; F151-H153 HydrophobicContact CE1-CB 3.89Å; F151-H153 HydrophobicContact CZ-CB 4.46Å; H153-V155 PolarHBondContact CE1-O 2.85Å; H153-V155 PolarHBondContact ND1-N 3.35Å; H153-V155 PolarHBondContact ND1-O 3.17Å; H153-V155 PolarHBondContact O-N 3.13Å; H153-L156 HydrophobicContact CB-CD1 4Å; H153-L156 HydrophobicContact CB-CD2 3.6Å; H153-L156 HydrophobicContact CB-CG 3.75Å; H153-I168 PolarHBondContact NE2-O 3.34Å; H153-D169 PolarHBondContact CE1-O 3.36Å; H153-D169 PolarHBondContact NE2-O 3.1Å
154	G	90.6	Very high	96.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	S	Bend	trans	-80.4	-10.5	-166.8	0	0	0	0	0	115.3	C152 P172 S185 N186 Y194	C152-G154 PolarHBondContact O-N 3.21Å; G154-P172 VanDerWaalsContact CA-O 3.25Å; G154-P172 WeakPolarHBondContact CA-O 3.39Å; G154-P172 PolarHBondContact N-O 2.99Å; G154-S185 VanDerWaalsContact CA-OG 3.25Å; G154-S185 WeakPolarHBondContact CA-OG 3.35Å; G154-S185 PolarHBondContact N-OG 3.38Å; G154-N186 WeakPolarHBondContact O-CB 3.41Å; G154-N186 PolarHBondContact O-ND2 3.25Å; G154-Y194 WeakPolarHBondContact O-CD2 3.34Å
155	V	91.1	Very high	96	Very high	30 Å²	30	12.2 Å²	12.2	18%	0.182	7%	0.068	C	C	.	.			trans	-145.1	103	173.4	-179.5	0	0	0	0	109.5	H153 N160 P172 N186 Y194	H153-V155 PolarHBondContact CE1-O 2.85Å; H153-V155 PolarHBondContact ND1-N 3.35Å; H153-V155 PolarHBondContact ND1-O 3.17Å; H153-V155 PolarHBondContact O-N 3.13Å; V155-N160 WeakPolarHBondContact CG1-ND2 3.44Å; V155-N160 WeakPolarHBondContact O-CB 3.25Å; V155-N160 PolarHBondContact O-ND2 3.32Å; V155-P172 HydrophobicContact CB-CG 4.44Å; V155-P172 HydrophobicContact CG2-CG 3.55Å; V155-N186 WeakPolarHBondContact CG2-ND2 3.43Å; V155-Y194 HydrophobicContact CG1-CE2 4.34Å
156	L	93.2	Very high	96	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.			trans	-110.7	56	-178.6	-69.6	169.4	0	0	0	112	W146 H153 M161 Y194 Q199 I202 N206	W146-L156 HydrophobicContact CH2-CD2 3.85Å; W146-L156 HydrophobicContact CZ3-CD1 4.12Å; W146-L156 HydrophobicContact CZ3-CD2 3.78Å; H153-L156 HydrophobicContact CB-CD1 4Å; H153-L156 HydrophobicContact CB-CD2 3.6Å; H153-L156 HydrophobicContact CB-CG 3.75Å; L156-M161 HydrophobicContact CD2-SD 3.86Å; L156-Y194 HydrophobicContact CB-CD1 3.73Å; L156-Y194 HydrophobicContact CB-CE1 4.09Å; L156-Y194 VanDerWaalsContact N-CD1 3.3Å; L156-Y194 VanDerWaalsContact N-CE1 3.32Å; L156-Q199 HydrophobicContact CD1-CB 4.17Å; L156-Q199 HydrophobicContact CD1-CG 3.86Å; L156-I202 HydrophobicContact CB-CG1 4.37Å; L156-I202 HydrophobicContact CB-CG2 3.96Å; L156-I202 HydrophobicContact CD1-CG2 3.68Å; L156-N206 PolarHBondContact O-ND2 2.78Å
157	N	93	Very high	96	Very high	56 Å²	56	13 Å²	13	30%	0.299	7%	0.073	S	C	.	.			trans	-72.7	166.5	167.4	-72.3	-32.1	0	0	0	111.2	D159 N160 M161 Y194	N157-D159 WeakPolarHBondContact CB-OD1 3.45Å; N157-D159 PolarHBondContact O-N 3.36Å; N157-N160 WeakPolarHBondContact O-CA 3.43Å; N157-N160 PolarHBondContact O-N 3.16Å; N157-M161 PolarHBondContact O-N 2.91Å; N157-Y194 PolarHBondContact OD1-OH 3.49Å
158	T	95.8	Very high	95.8	Very high	13 Å²	13	12.9 Å²	12.9	8%	0.08	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-59.8	-29.2	179.1	51	0	0	0	0	112.2	F75 G76 E79 N160 M161 W205 N206 R209	F75-T158 WeakPolarHBondContact CB-O 3.5Å; F75-T158 PolarHBondContact N-O 3.03Å; G76-T158 PolarHBondContact N-O 2.96Å; E79-T158 VanDerWaalsContact OE1-CB 3.23Å; E79-T158 WeakPolarHBondContact OE1-CB 3.38Å; E79-T158 VanDerWaalsContact OE1-CG2 3.29Å; E79-T158 WeakPolarHBondContact OE1-CG2 3.48Å; E79-T158 PolarHBondContact OE1-OG1 3.5Å; E79-T158 PolarHBondContact OE2-OG1 3.33Å; T158-N160 PolarHBondContact O-N 3.07Å; T158-M161 PolarHBondContact O-N 2.95Å; T158-W205 HydrophobicContact CG2-CZ3 4.14Å; T158-N206 HydrophobicContact CG2-CB 4.29Å; T158-N206 VanDerWaalsContact CG2-OD1 3.22Å; T158-N206 WeakPolarHBondContact CG2-OD1 2.97Å; T158-R209 HydrophobicContact CG2-CB 3.79Å; T158-R209 HydrophobicContact CG2-CG 4.06Å
159	D	94.5	Very high	95.1	Very high	73 Å²	73	12.8 Å²	12.8	39%	0.39	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-75.3	-1.1	172	75.5	-32.1	0	0	0	114.1	R74 N157	R74-D159 WeakPolarHBondContact CD-O 3.45Å; R74-D159 PolarHBondContact NH1-O 3.09Å; N157-D159 WeakPolarHBondContact CB-OD1 3.45Å; N157-D159 PolarHBondContact O-N 3.36Å
160	N	95.7	Very high	94.5	Very high	18 Å²	18	12.4 Å²	12.4	10%	0.096	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-113.6	7.7	172.1	-70.4	-25.5	0	0	0	113	V155 N157 T158 I168 D169	V155-N160 WeakPolarHBondContact CG1-ND2 3.44Å; V155-N160 WeakPolarHBondContact O-CB 3.25Å; V155-N160 PolarHBondContact O-ND2 3.32Å; N157-N160 WeakPolarHBondContact O-CA 3.43Å; N157-N160 PolarHBondContact O-N 3.16Å; T158-N160 PolarHBondContact O-N 3.07Å; N160-I168 WeakPolarHBondContact O-CG1 3.48Å; N160-D169 VanDerWaalsContact OD1-CB 3.28Å; N160-D169 WeakPolarHBondContact OD1-CB 3.25Å; N160-D169 PolarHBondContact OD1-OD2 3.33Å
161	M	97.8	Very high	93.8	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.02	7%	0.074	C	C	.	.	S	Bend	trans	-104	120.9	175	-63	-53.8	-65.7	0	0	111.4	R74 F75 T139 L156 N157 T158 C203 N206	R74-M161 CarbonylContact C-O 3.43Å; R74-M161 WeakPolarHBondContact CA-O 3.25Å; R74-M161 WeakPolarHBondContact CB-O 3.31Å; F75-M161 HydrophobicContact CB-CB 4.22Å; F75-M161 HydrophobicContact CD1-CB 4.01Å; F75-M161 HydrophobicContact CD2-CB 3.62Å; F75-M161 HydrophobicContact CD2-CG 4.17Å; F75-M161 HydrophobicContact CE1-CB 4.24Å; F75-M161 HydrophobicContact CE2-CB 3.88Å; F75-M161 HydrophobicContact CE2-CG 4.34Å; F75-M161 HydrophobicContact CG-CB 3.68Å; F75-M161 HydrophobicContact CZ-CB 4.18Å; F75-M161 PolarHBondContact N-O 3.24Å; T139-M161 HydrophobicContact CG2-CE 3.58Å; L156-M161 HydrophobicContact CD2-SD 3.86Å; N157-M161 PolarHBondContact O-N 2.91Å; T158-M161 PolarHBondContact O-N 2.95Å; M161-C203 HydrophobicContact CE-CB 4.32Å; M161-N206 HydrophobicContact CG-CB 3.86Å; M161-N206 WeakPolarHBondContact CG-ND2 3.49Å
162	S	98.3	Very high	93.2	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.021	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-76.2	136.5	178.9	178.7	0	0	0	0	112.3	F75 I164 G165 L166	F75-S162 WeakPolarHBondContact CE1-O 3.34Å; S162-I164 PolarHBondContact O-N 3.45Å; S162-I164 VanDerWaalsContact O-N 3.12Å; S162-I164 WeakPolarHBondContact OG-CG1 3.39Å; S162-I164 PolarHBondContact OG-N 3.11Å; S162-G165 PolarHBondContact O-N 3.18Å; S162-L166 VanDerWaalsContact CB-O 3.28Å; S162-L166 WeakPolarHBondContact CB-O 3.4Å
163	I	98.5	Very high	93.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.9	175.8	-156.6	58.1	0	0	0	113.8	T71 I73 F75 F78 V108 Y113 F131 V135 L210	T71-I163 HydrophobicContact CG2-CG2 4.15Å; I73-I163 HydrophobicContact CB-CG2 3.78Å; I73-I163 HydrophobicContact CG2-CB 4.12Å; I73-I163 HydrophobicContact CG2-CG2 3.74Å; I73-I163 WeakPolarHBondContact O-CG2 3.23Å; I73-I163 PolarHBondContact O-N 3.28Å; I73-I163 VanDerWaalsContact O-N 3.07Å; F75-I163 HydrophobicContact CD1-CD1 3.85Å; F75-I163 HydrophobicContact CE1-CD1 3.98Å; F78-I163 HydrophobicContact CD2-CD1 4.37Å; F78-I163 HydrophobicContact CE2-CB 4.33Å; F78-I163 HydrophobicContact CE2-CD1 3.54Å; F78-I163 HydrophobicContact CE2-CG1 3.71Å; F78-I163 HydrophobicContact CZ-CD1 3.91Å; F78-I163 HydrophobicContact CZ-CG1 3.88Å; V108-I163 HydrophobicContact CG1-CG1 3.94Å; V108-I163 HydrophobicContact CG1-CG2 4.09Å; Y113-I163 PolarHBondContact OH-O 3.36Å; F131-I163 HydrophobicContact CE2-CG1 4.28Å; F131-I163 HydrophobicContact CZ-CD1 3.75Å; F131-I163 HydrophobicContact CZ-CG1 3.75Å; V135-I163 HydrophobicContact CG1-CD1 4.32Å; V135-I163 HydrophobicContact CG2-CD1 4.17Å; I163-L210 HydrophobicContact CD1-CD1 4.12Å; I163-L210 HydrophobicContact CD1-CD2 3.69Å
164	I	98.3	Very high	92.9	Very high	15 Å²	15	13.4 Å²	13.4	8%	0.077	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	11.8	178.6	56.9	158.2	0	0	0	113.6	K70 T71 F112 Y113 R138 S162 L166	K70-I164 HydrophobicContact CB-CD1 3.82Å; T71-I164 HydrophobicContact CG2-CB 4.43Å; T71-I164 HydrophobicContact CG2-CD1 3.73Å; T71-I164 HydrophobicContact CG2-CG1 3.77Å; T71-I164 HydrophobicContact CG2-CG2 3.79Å; F112-I164 HydrophobicContact CB-CG2 3.82Å; F112-I164 HydrophobicContact CG-CG2 4.14Å; Y113-I164 HydrophobicContact CE2-CG2 4.1Å; Y113-I164 WeakPolarHBondContact OH-CA 3.47Å; R138-I164 PolarHBondContact NH1-O 2.83Å; S162-I164 PolarHBondContact O-N 3.45Å; S162-I164 VanDerWaalsContact O-N 3.12Å; S162-I164 WeakPolarHBondContact OG-CG1 3.39Å; S162-I164 PolarHBondContact OG-N 3.11Å; I164-L166 HydrophobicContact CD1-CD1 3.51Å; I164-L166 HydrophobicContact CD1-CG 3.84Å; I164-L166 HydrophobicContact CG1-CD1 4.03Å; I164-L166 HydrophobicContact CG1-CG 3.94Å
165	G	98.2	Very high	93.1	Very high	7 Å²	7	13.5 Å²	13.5	7%	0.072	8%	0.078	C	C	.	.	S	Bend	trans	74.3	37.4	175.4	0	0	0	0	0	114.5	P33 S162	P33-G165 VanDerWaalsContact CB-O 3.25Å; P33-G165 WeakPolarHBondContact CB-O 3.25Å; S162-G165 PolarHBondContact O-N 3.18Å
166	L	98.2	Very high	93.1	Very high	29 Å²	29	12.1 Å²	12.1	15%	0.152	7%	0.07	C	C	.	.			trans	-98.5	145.1	172	-60	179.2	0	0	0	111.9	P33 A69 S162 I164 I168	P33-L166 HydrophobicContact CB-CD2 3.94Å; A69-L166 HydrophobicContact CB-CD1 3.95Å; S162-L166 VanDerWaalsContact CB-O 3.28Å; S162-L166 WeakPolarHBondContact CB-O 3.4Å; I164-L166 HydrophobicContact CD1-CD1 3.51Å; I164-L166 HydrophobicContact CD1-CG 3.84Å; I164-L166 HydrophobicContact CG1-CD1 4.03Å; I164-L166 HydrophobicContact CG1-CG 3.94Å; L166-I168 HydrophobicContact CB-CG2 3.95Å; L166-I168 PolarHBondContact O-N 2.95Å
167	T	97.6	Very high	93.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-65.5	119.2	159.4	-46.5	0	0	0	0	108.7	M27 P33 T34 T35 W146 F151 Y170	M27-T167 HydrophobicContact CE-CG2 4.19Å; P33-T167 WeakPolarHBondContact O-CB 3.45Å; P33-T167 PolarHBondContact O-N 3.38Å; P33-T167 PolarHBondContact O-OG1 3.04Å; T34-T167 WeakPolarHBondContact CA-O 3.28Å; T35-T167 PolarHBondContact N-O 3.48Å; T35-T167 PolarHBondContact OG1-O 3.24Å; W146-T167 HydrophobicContact CZ2-CG2 3.83Å; W146-T167 PolarHBondContact NE1-OG1 3.23Å; F151-T167 HydrophobicContact CE1-CG2 4.21Å; F151-T167 HydrophobicContact CZ-CG2 4.24Å; T167-Y170 WeakPolarHBondContact CB-OH 3.33Å; T167-Y170 HydrophobicContact CG2-CE1 3.8Å; T167-Y170 VanDerWaalsContact CG2-OH 3.27Å; T167-Y170 WeakPolarHBondContact CG2-OH 3.4Å
168	I	94.1	Very high	93.1	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.015	7%	0.071	C	C	.	.			trans	-131.4	165.2	-179.8	66.8	174.6	0	0	0	110.2	T35 R74 H153 N160 L166	T35-I168 HydrophobicContact CG2-CB 4.29Å; T35-I168 HydrophobicContact CG2-CG2 3.51Å; R74-I168 HydrophobicContact CG-CD1 3.95Å; H153-I168 PolarHBondContact NE2-O 3.34Å; N160-I168 WeakPolarHBondContact O-CG1 3.48Å; L166-I168 HydrophobicContact CB-CG2 3.95Å; L166-I168 PolarHBondContact O-N 2.95Å
169	D	85.1	Confident	93	Very high	7 Å²	7	12 Å²	12	4%	0.037	7%	0.067	C	C	.	.			trans	52	66.7	171.2	-76.6	-2	0	0	0	114.3	R7 R67 R74 H153 N160 G171	R7-D169 IonicContact CZ-OD2 2.86Å; R7-D169 IonicContact NH1-OD1 3.55Å; R7-D169 PolarHBondContact NH1-OD1 3.32Å; R7-D169 IonicContact NH1-OD2 2.64Å; R7-D169 PolarHBondContact NH1-OD2 2.8Å; R7-D169 IonicContact NH2-OD2 3.06Å; R67-D169 IonicContact CZ-OD1 2.7Å; R67-D169 VanDerWaalsContact CZ-OD1 3.26Å; R67-D169 IonicContact NH1-OD1 2.69Å; R67-D169 PolarHBondContact NH1-OD1 3.25Å; R67-D169 IonicContact NH2-OD1 3.42Å; R67-D169 PolarHBondContact NH2-OD1 2.98Å; R74-D169 IonicContact CZ-OD2 2.87Å; R74-D169 IonicContact NH1-OD2 2.94Å; R74-D169 PolarHBondContact NH1-OD2 2.98Å; R74-D169 IonicContact NH2-OD2 2.67Å; H153-D169 PolarHBondContact CE1-O 3.36Å; H153-D169 PolarHBondContact NE2-O 3.1Å; N160-D169 VanDerWaalsContact OD1-CB 3.28Å; N160-D169 WeakPolarHBondContact OD1-CB 3.25Å; N160-D169 PolarHBondContact OD1-OD2 3.33Å; D169-G171 PolarHBondContact O-N 3.01Å
170	Y	84.8	Confident	92.9	Very high	1 Å²	1	8.9 Å²	8.9	0%	0.004	5%	0.051	C	C	.	.			trans	-61.1	77.8	164.3	-61.2	-77.2	0	0	0	110.8	R9 C20 T23 Q24 M27 T34 F151 T167 F173 C502	R9-Y170 PolarHBondContact NH1-O 3.46Å; R9-Y170 PolarHBondContact NH2-O 2.87Å; C20-Y170 PolarHBondContact SG-O 3.01Å; T23-Y170 HydrophobicContact CG2-CD1 3.46Å; T23-Y170 VanDerWaalsContact CG2-CD1 3.46Å; T23-Y170 HydrophobicContact CG2-CE1 3.28Å; T23-Y170 HydrophobicContact CG2-CG 4.42Å; Q24-Y170 HydrophobicContact CB-CE2 4.39Å; Q24-Y170 HydrophobicContact CG-CD2 3.67Å; Q24-Y170 HydrophobicContact CG-CE2 3.22Å; M27-Y170 HydrophobicContact CG-CE1 4.26Å; M27-Y170 WeakPolarHBondContact CG-OH 3.21Å; T34-Y170 PolarHBondContact OG1-OH 2.64Å; F151-Y170 HydrophobicContact CE2-CE1 4.5Å; F151-Y170 HydrophobicContact CZ-CE1 4.2Å; T167-Y170 WeakPolarHBondContact CB-OH 3.33Å; T167-Y170 HydrophobicContact CG2-CE1 3.8Å; T167-Y170 VanDerWaalsContact CG2-OH 3.27Å; T167-Y170 WeakPolarHBondContact CG2-OH 3.4Å; Y170-F173 AromaticContact CD1-CD1 3.95Å; Y170-F173 HydrophobicContact CD1-CD1 3.95Å; Y170-F173 HydrophobicContact CD1-CD2 4.49Å; Y170-F173 HydrophobicContact CD1-CE1 4.01Å; Y170-F173 HydrophobicContact CD1-CG 4.2Å; Y170-F173 HydrophobicContact CD1-CZ 4.3Å; Y170-F173 HydrophobicContact CG-CD1 4.43Å; Y170-F173 HydrophobicContact CG-CE1 4.3Å; Y170-C502 WeakPolarHBondContact O-CB 3.08Å
171	G	80	Confident	92.6	Very high	11 Å²	11	11.3 Å²	11.3	11%	0.113	6%	0.059	C	C	.	.	S	Bend	trans	-86.3	-111	169.2	0	0	0	0	0	108.5	D169 F173 C502	D169-G171 PolarHBondContact O-N 3.01Å; G171-F173 WeakPolarHBondContact O-CD1 3.46Å; G171-C502 PolarHBondContact O-N 3.39Å
172	P	85.6	Confident	92.1	Very high	10 Å²	10	13 Å²	13	7%	0.065	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-75.1	133.1	158.9	32.9	-31.7	0	0	0	109.9	G154 V155 N186	G154-P172 VanDerWaalsContact CA-O 3.25Å; G154-P172 WeakPolarHBondContact CA-O 3.39Å; G154-P172 PolarHBondContact N-O 2.99Å; V155-P172 HydrophobicContact CB-CG 4.44Å; V155-P172 HydrophobicContact CG2-CG 3.55Å; P172-N186 HydrophobicContact CB-CB 3.74Å; P172-N186 HydrophobicContact CG-CB 3.71Å; P172-N186 VanDerWaalsContact CG-CG 3.45Å
173	F	90.8	Very high	91.8	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	170.1	170.2	65.6	-84.9	0	0	0	108.3	F19 T23 F151 C152 Y170 G171	F19-F173 AromaticContact CD1-CE1 3.96Å; F19-F173 HydrophobicContact CD1-CE1 3.96Å; F19-F173 AromaticContact CD1-CZ 3.56Å; F19-F173 HydrophobicContact CD1-CZ 3.56Å; F19-F173 HydrophobicContact CD2-CZ 4.41Å; F19-F173 HydrophobicContact CE1-CD1 4.47Å; F19-F173 AromaticContact CE1-CE1 3.47Å; F19-F173 HydrophobicContact CE1-CE1 3.47Å; F19-F173 VanDerWaalsContact CE1-CE1 3.47Å; F19-F173 AromaticContact CE1-CE2 3.67Å; F19-F173 HydrophobicContact CE1-CE2 3.67Å; F19-F173 AromaticContact CE1-CZ 2.98Å; F19-F173 HydrophobicContact CE1-CZ 2.98Å; F19-F173 HydrophobicContact CE2-CE2 4.09Å; F19-F173 AromaticContact CE2-CZ 3.94Å; F19-F173 HydrophobicContact CE2-CZ 3.94Å; F19-F173 HydrophobicContact CG-CZ 4.26Å; F19-F173 HydrophobicContact CZ-CD2 4.43Å; F19-F173 HydrophobicContact CZ-CE1 4.12Å; F19-F173 AromaticContact CZ-CE2 3.4Å; F19-F173 HydrophobicContact CZ-CE2 3.4Å; F19-F173 VanDerWaalsContact CZ-CE2 3.4Å; F19-F173 AromaticContact CZ-CZ 3.21Å; F19-F173 HydrophobicContact CZ-CZ 3.21Å; T23-F173 HydrophobicContact CG2-CD2 3.96Å; T23-F173 HydrophobicContact CG2-CE2 3.35Å; T23-F173 HydrophobicContact CG2-CZ 3.7Å; T23-F173 WeakPolarHBondContact OG1-CE2 3.22Å; T23-F173 WeakPolarHBondContact OG1-CZ 3.01Å; F151-F173 HydrophobicContact CE2-CB 4.02Å; F151-F173 AromaticContact CE2-CD2 3.74Å; F151-F173 HydrophobicContact CE2-CD2 3.74Å; F151-F173 HydrophobicContact CE2-CG 4.17Å; F151-F173 HydrophobicContact CZ-CB 4.03Å; F151-F173 HydrophobicContact CZ-CD2 4.44Å; F151-F173 HydrophobicContact CZ-CG 4.45Å; C152-F173 CarbonylContact O-C 3.58Å; C152-F173 WeakPolarHBondContact O-CA 3.34Å; Y170-F173 AromaticContact CD1-CD1 3.95Å; Y170-F173 HydrophobicContact CD1-CD1 3.95Å; Y170-F173 HydrophobicContact CD1-CD2 4.49Å; Y170-F173 HydrophobicContact CD1-CE1 4.01Å; Y170-F173 HydrophobicContact CD1-CG 4.2Å; Y170-F173 HydrophobicContact CD1-CZ 4.3Å; Y170-F173 HydrophobicContact CG-CD1 4.43Å; Y170-F173 HydrophobicContact CG-CE1 4.3Å; G171-F173 WeakPolarHBondContact O-CD1 3.46Å
174	G	90.9	Very high	91.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	157.3	172.4	0	0	0	0	0	111.7	C152	C152-G174 PolarHBondContact N-O 3.42Å; C152-G174 PolarHBondContact O-N 3.32Å
175	F	93.4	Very high	90.8	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.013	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131	159.7	-72.1	-96	0	0	0	107.7	M27 L30 V149 G150 F151 D177 V437 L438	M27-F175 HydrophobicContact SD-CE1 4.46Å; M27-F175 HydrophobicContact SD-CE2 4.48Å; M27-F175 HydrophobicContact SD-CZ 3.69Å; L30-F175 HydrophobicContact CD1-CE1 3.8Å; L30-F175 HydrophobicContact CD1-CZ 3.76Å; V149-F175 HydrophobicContact CB-CE1 4.41Å; V149-F175 HydrophobicContact CG2-CE1 3.92Å; V149-F175 WeakPolarHBondContact O-CD1 3.37Å; G150-F175 CarbonylContact O-C 3.59Å; G150-F175 WeakPolarHBondContact O-CA 3.4Å; F151-F175 HydrophobicContact CB-CD1 4.28Å; F151-F175 HydrophobicContact CB-CE1 4.06Å; F151-F175 HydrophobicContact CD2-CD2 4.26Å; F151-F175 HydrophobicContact CD2-CE1 4.22Å; F151-F175 AromaticContact CD2-CE2 3.88Å; F151-F175 HydrophobicContact CD2-CE2 3.88Å; F151-F175 AromaticContact CD2-CZ 3.86Å; F151-F175 HydrophobicContact CD2-CZ 3.86Å; F151-F175 HydrophobicContact CE2-CE2 4.44Å; F175-D177 PolarHBondContact O-N 3.18Å; F175-V437 HydrophobicContact CB-CB 4.49Å; F175-V437 HydrophobicContact CB-CG2 4.25Å; F175-V437 HydrophobicContact CD1-CB 3.84Å; F175-V437 HydrophobicContact CD1-CG1 4.14Å; F175-V437 HydrophobicContact CD1-CG2 4.34Å; F175-V437 HydrophobicContact CE1-CB 4.17Å; F175-V437 HydrophobicContact CE1-CG1 4.23Å; F175-V437 HydrophobicContact CG-CB 4.08Å; F175-V437 HydrophobicContact CG-CG2 4.36Å; F175-L438 HydrophobicContact CD2-CB 4.33Å; F175-L438 WeakPolarHBondContact CD2-O 3.29Å; F175-L438 HydrophobicContact CE2-CB 4.18Å
176	M	92.1	Very high	90.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.			trans	-67.6	122.7	-176.3	-170.3	177.2	-52.1	0	0	110.9	G150 Q178 F179 T180 H183 Y196 F294 R439	G150-M176 WeakPolarHBondContact O-CB 3.44Å; G150-M176 PolarHBondContact O-N 2.98Å; M176-Q178 WeakPolarHBondContact CG-O 3.07Å; M176-F179 HydrophobicContact CE-CD2 4.42Å; M176-F179 WeakPolarHBondContact SD-CA 3.47Å; M176-F179 HydrophobicContact SD-CB 4.23Å; M176-F179 HydrophobicContact SD-CD2 3.49Å; M176-F179 WeakPolarHBondContact SD-CD2 3.45Å; M176-F179 HydrophobicContact SD-CE2 4.21Å; M176-F179 HydrophobicContact SD-CG 4.18Å; M176-T180 WeakPolarHBondContact CE-O 3.46Å; M176-T180 PolarHBondContact SD-N 2.96Å; M176-T180 VanDerWaalsContact SD-N 3.4Å; M176-H183 HydrophobicContact CE-CB 3.37Å; M176-H183 HydrophobicContact CG-CB 4.34Å; M176-H183 HydrophobicContact SD-CB 4.02Å; M176-Y196 HydrophobicContact CE-CD1 3.68Å; M176-Y196 HydrophobicContact CE-CD2 3.48Å; M176-Y196 VanDerWaalsContact CE-CD2 3.48Å; M176-Y196 HydrophobicContact CE-CE1 4.36Å; M176-Y196 HydrophobicContact CE-CE2 4.17Å; M176-Y196 HydrophobicContact CE-CG 3.19Å; M176-F294 WeakPolarHBondContact O-CB 3.18Å; M176-R439 PolarHBondContact O-NH1 3.33Å; M176-R439 PolarHBondContact O-NH2 2.98Å
177	D	92.6	Very high	89	Confident	29 Å²	29	18.9 Å²	18.9	16%	0.155	10%	0.1	C	C	.	.	S	Bend	trans	-73.7	-86.5	175.6	-79.2	-16.2	0	0	0	109.6	F175 D293 F294 R439 P491	F175-D177 PolarHBondContact O-N 3.18Å; D177-D293 CarbonylContact O-C 3.57Å; D177-D293 VanDerWaalsContact O-CA 3.3Å; D177-D293 WeakPolarHBondContact O-CA 2.94Å; D177-F294 PolarHBondContact O-N 3.28Å; D177-R439 VanDerWaalsContact OD1-CD 3.23Å; D177-R439 WeakPolarHBondContact OD1-CD 3.31Å; D177-R439 IonicContact OD1-CZ 3.65Å; D177-R439 IonicContact OD1-NE 3.67Å; D177-P491 HydrophobicContact CB-CG 3.69Å; D177-P491 WeakPolarHBondContact OD1-CG 3.36Å; D177-P491 WeakPolarHBondContact OD2-CG 3.24Å
178	Q	92.9	Very high	88	Confident	37 Å²	37	23.1 Å²	23.1	17%	0.173	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-78.7	135.7	168.6	173.3	179.5	-13	0	0	110.3	M176 T180 G291	M176-Q178 WeakPolarHBondContact CG-O 3.07Å; Q178-T180 PolarHBondContact O-N 3.45Å; Q178-G291 VanDerWaalsContact NE2-CA 3.31Å
179	F	94.2	Very high	87.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.			trans	-70.9	124.8	179.1	-177.6	-101.4	0	0	0	113.2	M176 W181 Y196 F284 M287 E288 A292 F294	M176-F179 HydrophobicContact CE-CD2 4.42Å; M176-F179 WeakPolarHBondContact SD-CA 3.47Å; M176-F179 HydrophobicContact SD-CB 4.23Å; M176-F179 HydrophobicContact SD-CD2 3.49Å; M176-F179 WeakPolarHBondContact SD-CD2 3.45Å; M176-F179 HydrophobicContact SD-CE2 4.21Å; M176-F179 HydrophobicContact SD-CG 4.18Å; F179-W181 HydrophobicContact CE1-CD2 4.05Å; F179-W181 AromaticContact CE1-CE2 3.89Å; F179-W181 HydrophobicContact CE1-CG 4.23Å; F179-W181 HydrophobicContact CE1-CZ2 4.38Å; F179-W181 AromaticContact CE1-NE1 3.93Å; F179-W181 HydrophobicContact CE2-CE3 4.46Å; F179-W181 AromaticContact CZ-CD2 3.55Å; F179-W181 HydrophobicContact CZ-CD2 3.55Å; F179-W181 AromaticContact CZ-CE2 3.63Å; F179-W181 AromaticContact CZ-CE3 3.74Å; F179-W181 HydrophobicContact CZ-CE3 3.74Å; F179-W181 HydrophobicContact CZ-CG 4.09Å; F179-W181 HydrophobicContact CZ-CH2 4.1Å; F179-W181 AromaticContact CZ-CZ2 3.93Å; F179-W181 HydrophobicContact CZ-CZ2 3.93Å; F179-W181 HydrophobicContact CZ-CZ3 4.01Å; F179-Y196 HydrophobicContact CE2-CD1 4.24Å; F179-Y196 AromaticContact CE2-CE1 3.8Å; F179-Y196 HydrophobicContact CE2-CE1 3.8Å; F179-Y196 HydrophobicContact CZ-CE1 4.47Å; F179-F284 HydrophobicContact CD1-CB 4.45Å; F179-F284 HydrophobicContact CD1-CD1 4.3Å; F179-F284 VanDerWaalsContact CD1-O 3.3Å; F179-F284 WeakPolarHBondContact CD1-O 3.1Å; F179-F284 AromaticContact CD2-CD1 3.89Å; F179-F284 HydrophobicContact CD2-CD1 3.89Å; F179-F284 HydrophobicContact CD2-CE1 4.36Å; F179-F284 HydrophobicContact CE1-CB 3.62Å; F179-F284 AromaticContact CE1-CD1 3.95Å; F179-F284 HydrophobicContact CE1-CD1 3.95Å; F179-F284 HydrophobicContact CE1-CG 4.21Å; F179-F284 WeakPolarHBondContact CE1-O 3.12Å; F179-F284 HydrophobicContact CE2-CB 4.43Å; F179-F284 AromaticContact CE2-CD1 3.45Å; F179-F284 HydrophobicContact CE2-CD1 3.45Å; F179-F284 VanDerWaalsContact CE2-CD1 3.45Å; F179-F284 HydrophobicContact CE2-CE1 4.06Å; F179-F284 HydrophobicContact CE2-CG 4.18Å; F179-F284 HydrophobicContact CG-CD1 4.27Å; F179-F284 HydrophobicContact CZ-CB 3.58Å; F179-F284 AromaticContact CZ-CD1 3.48Å; F179-F284 HydrophobicContact CZ-CD1 3.48Å; F179-F284 VanDerWaalsContact CZ-CD1 3.48Å; F179-F284 HydrophobicContact CZ-CE1 4.48Å; F179-F284 AromaticContact CZ-CG 3.79Å; F179-F284 HydrophobicContact CZ-CG 3.79Å; F179-M287 HydrophobicContact CB-CB 3.86Å; F179-M287 HydrophobicContact CB-CE 3.95Å; F179-M287 HydrophobicContact CD1-CB 3.81Å; F179-M287 HydrophobicContact CG-CB 4.07Å; F179-M287 HydrophobicContact CG-CE 4.38Å; F179-E288 HydrophobicContact CD1-CB 3.85Å; F179-E288 HydrophobicContact CE1-CB 4.04Å; F179-A292 PolarHBondContact N-O 2.92Å; F179-F294 AromaticContact CD2-CD2 3.72Å; F179-F294 HydrophobicContact CD2-CD2 3.72Å; F179-F294 HydrophobicContact CD2-CE2 4.13Å; F179-F294 HydrophobicContact CE2-CD2 4.45Å; F179-F294 HydrophobicContact CE2-CE2 4.43Å
180	T	91.1	Very high	87.1	Confident	8 Å²	8	28.3 Å²	28.3	5%	0.049	16%	0.163	C	C	.	.			trans	-141.5	142.4	161.1	73.6	0	0	0	0	109.9	M176 Q178 D182 H183 T335 F336	M176-T180 WeakPolarHBondContact CE-O 3.46Å; M176-T180 PolarHBondContact SD-N 2.96Å; M176-T180 VanDerWaalsContact SD-N 3.4Å; Q178-T180 PolarHBondContact O-N 3.45Å; T180-D182 WeakPolarHBondContact CB-OD1 3.3Å; T180-D182 PolarHBondContact O-N 3.37Å; T180-D182 PolarHBondContact OG1-OD1 3.35Å; T180-H183 WeakPolarHBondContact O-CB 3.19Å; T180-H183 PolarHBondContact O-N 2.98Å; T180-H183 WeakPolarHBondContact OG1-CA 3.41Å; T180-H183 PolarHBondContact OG1-N 2.92Å; T180-H183 VanDerWaalsContact OG1-N 3.13Å; T180-T335 HydrophobicContact CG2-CG2 3.62Å; T180-F336 HydrophobicContact CG2-CZ 4.44Å
181	W	90.7	Very high	87	Confident	69 Å²	69	32.3 Å²	32.3	26%	0.261	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-35.4	177.5	-75.7	117.8	0	0	0	112.1	F179 H183 Y196 A197 F284 N285 E288	F179-W181 HydrophobicContact CE1-CD2 4.05Å; F179-W181 AromaticContact CE1-CE2 3.89Å; F179-W181 HydrophobicContact CE1-CG 4.23Å; F179-W181 HydrophobicContact CE1-CZ2 4.38Å; F179-W181 AromaticContact CE1-NE1 3.93Å; F179-W181 HydrophobicContact CE2-CE3 4.46Å; F179-W181 AromaticContact CZ-CD2 3.55Å; F179-W181 HydrophobicContact CZ-CD2 3.55Å; F179-W181 AromaticContact CZ-CE2 3.63Å; F179-W181 AromaticContact CZ-CE3 3.74Å; F179-W181 HydrophobicContact CZ-CE3 3.74Å; F179-W181 HydrophobicContact CZ-CG 4.09Å; F179-W181 HydrophobicContact CZ-CH2 4.1Å; F179-W181 AromaticContact CZ-CZ2 3.93Å; F179-W181 HydrophobicContact CZ-CZ2 3.93Å; F179-W181 HydrophobicContact CZ-CZ3 4.01Å; W181-H183 VanDerWaalsContact C-N 3.29Å; W181-H183 PolarHBondContact O-N 3.42Å; W181-Y196 HydrophobicContact CE3-CD1 4.23Å; W181-Y196 HydrophobicContact CE3-CE1 4.13Å; W181-Y196 HydrophobicContact CZ3-CE1 4.01Å; W181-A197 HydrophobicContact CB-CB 4.3Å; W181-A197 HydrophobicContact CE3-CB 4.04Å; W181-A197 WeakPolarHBondContact O-CB 3.45Å; W181-A197 PolarHBondContact O-N 2.9Å; W181-A197 VanDerWaalsContact O-N 3.11Å; W181-F284 HydrophobicContact CH2-CB 3.88Å; W181-F284 HydrophobicContact CH2-CD2 4.22Å; W181-F284 HydrophobicContact CH2-CG 4.13Å; W181-F284 HydrophobicContact CZ2-CB 3.41Å; W181-F284 VanDerWaalsContact CZ2-CB 3.41Å; W181-F284 HydrophobicContact CZ2-CG 4.16Å; W181-N285 PolarHBondContact NE1-OD1 3.2Å; W181-E288 VanDerWaalsContact CD1-OE1 3.32Å; W181-E288 PolarHBondContact N-OE1 2.98Å
182	D	87.6	Confident	87.4	Confident	40 Å²	40	31.8 Å²	31.8	21%	0.214	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.6	-176.9	72.5	-16.8	0	0	0	114.1	T180 I184 S195 K373	T180-D182 WeakPolarHBondContact CB-OD1 3.3Å; T180-D182 PolarHBondContact O-N 3.37Å; T180-D182 PolarHBondContact OG1-OD1 3.35Å; D182-I184 WeakPolarHBondContact O-CG1 3.44Å; D182-I184 PolarHBondContact O-N 3.16Å; D182-S195 WeakPolarHBondContact O-CB 3.37Å; D182-K373 IonicContact OD2-NZ 3.26Å
183	H	90.6	Very high	87.6	Confident	42 Å²	42	36.5 Å²	36.5	19%	0.194	20%	0.195	C	C	.	.			trans	-48.4	123.7	-176.3	179.5	84.3	0	0	0	112.4	M176 T180 W181 S195 Y196	M176-H183 HydrophobicContact CE-CB 3.37Å; M176-H183 HydrophobicContact CG-CB 4.34Å; M176-H183 HydrophobicContact SD-CB 4.02Å; T180-H183 WeakPolarHBondContact O-CB 3.19Å; T180-H183 PolarHBondContact O-N 2.98Å; T180-H183 WeakPolarHBondContact OG1-CA 3.41Å; T180-H183 PolarHBondContact OG1-N 2.92Å; T180-H183 VanDerWaalsContact OG1-N 3.13Å; W181-H183 VanDerWaalsContact C-N 3.29Å; W181-H183 PolarHBondContact O-N 3.42Å; H183-S195 CarbonylContact O-C 3Å; H183-S195 WeakPolarHBondContact O-CA 3.47Å; H183-S195 WeakPolarHBondContact O-CB 3.38Å; H183-Y196 PolarHBondContact O-N 3.35Å
184	I	89.1	Confident	87.7	Confident	36 Å²	36	37.3 Å²	37.3	19%	0.185	20%	0.199	C	C	.	.			trans	-115.5	112.1	-179.9	-46.2	-177.5	0	0	0	109	D182 N186 D189 R499	D182-I184 WeakPolarHBondContact O-CG1 3.44Å; D182-I184 PolarHBondContact O-N 3.16Å; I184-N186 WeakPolarHBondContact CG2-O 3.28Å; I184-D189 HydrophobicContact CG2-CB 3.94Å; I184-R499 VanDerWaalsContact O-CZ 3.28Å; I184-R499 PolarHBondContact O-NH1 2.79Å
185	S	87.7	Confident	87.8	Confident	5 Å²	5	37.3 Å²	37.3	4%	0.035	20%	0.199	C	C	.	.			trans	-78.6	-20.4	176.7	60.9	0	0	0	0	113.4	C152 G154	C152-S185 PolarHBondContact O-OG 3.14Å; G154-S185 VanDerWaalsContact CA-OG 3.25Å; G154-S185 WeakPolarHBondContact CA-OG 3.35Å; G154-S185 PolarHBondContact N-OG 3.38Å
186	N	84.2	Confident	87.8	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.064	20%	0.198	C	C	.	.			trans	-97.3	126.1	-179.4	-177.1	9	0	0	0	112.6	G154 V155 P172 I184 S188 D189 R499	G154-N186 WeakPolarHBondContact O-CB 3.41Å; G154-N186 PolarHBondContact O-ND2 3.25Å; V155-N186 WeakPolarHBondContact CG2-ND2 3.43Å; P172-N186 HydrophobicContact CB-CB 3.74Å; P172-N186 HydrophobicContact CG-CB 3.71Å; P172-N186 VanDerWaalsContact CG-CG 3.45Å; I184-N186 WeakPolarHBondContact CG2-O 3.28Å; N186-S188 PolarHBondContact O-N 3.01Å; N186-S188 PolarHBondContact OD1-N 2.85Å; N186-D189 HydrophobicContact CB-CB 4Å; N186-R499 PolarHBondContact O-NH1 2.91Å
187	T	74.8	Confident	87.9	Confident	83 Å²	83	38.6 Å²	38.6	51%	0.509	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.1	174	45	0	0	0	0	113.5	R499	T187-R499 HydrophobicContact CG2-CB 4.09Å; T187-R499 VanDerWaalsContact CG2-CD 3.41Å; T187-R499 HydrophobicContact CG2-CG 4.36Å
188	S	76.7	Confident	88	Confident	89 Å²	89	38.4 Å²	38.4	62%	0.622	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	19	-177.3	-53.5	0	0	0	0	113.3	N186 P190	N186-S188 PolarHBondContact O-N 3.01Å; N186-S188 PolarHBondContact OD1-N 2.85Å; S188-P190 VanDerWaalsContact O-CD 3.31Å; S188-P190 WeakPolarHBondContact O-CD 3.27Å
189	D	83.1	Confident	88.2	Confident	11 Å²	11	36.7 Å²	36.7	6%	0.059	20%	0.2	C	C	.	.			trans	-116.5	67.3	174.8	-178.4	24.6	0	0	0	111.1	I184 N186 D191 G192 R193 Y194	I184-D189 HydrophobicContact CG2-CB 3.94Å; N186-D189 HydrophobicContact CB-CB 4Å; D189-D191 PolarHBondContact O-N 2.87Å; D189-G192 PolarHBondContact O-N 3.28Å; D189-G192 PolarHBondContact OD1-N 3.07Å; D189-G192 VanDerWaalsContact OD1-N 3.16Å; D189-G192 VanDerWaalsContact OD2-C 3.26Å; D189-G192 VanDerWaalsContact OD2-CA 3.3Å; D189-G192 WeakPolarHBondContact OD2-CA 3.4Å; D189-R193 VanDerWaalsContact CG-N 3.3Å; D189-R193 WeakPolarHBondContact OD1-CB 3.41Å; D189-R193 PolarHBondContact OD1-N 3.37Å; D189-R193 PolarHBondContact OD2-N 3.29Å; D189-Y194 HydrophobicContact CB-CD2 4.27Å; D189-Y194 PolarHBondContact OD2-N 2.78Å
190	P	76.7	Confident	88.4	Confident	108 Å²	108	37.1 Å²	37.1	70%	0.701	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.7	-175.5	27.5	-36	0	0	0	113.4	S188 G192	S188-P190 VanDerWaalsContact O-CD 3.31Å; S188-P190 WeakPolarHBondContact O-CD 3.27Å; P190-G192 VanDerWaalsContact C-N 3.32Å
191	D	82.2	Confident	88.6	Confident	85 Å²	85	40.8 Å²	40.8	46%	0.455	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.1	176.8	-75.5	-48.4	0	0	0	112.4	D189 R193 K366	D189-D191 PolarHBondContact O-N 2.87Å; D191-R193 VanDerWaalsContact C-N 3.32Å; D191-R193 PolarHBondContact O-N 3.14Å; D191-K366 IonicContact OD1-NZ 3.97Å; D191-K366 PolarHBondContact OD1-NZ 2.84Å; D191-K366 IonicContact OD2-NZ 2.85Å; D191-K366 PolarHBondContact OD2-NZ 3.39Å
192	G	87.7	Confident	88.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.			trans	62.8	36.1	-178.3	0	0	0	0	0	113.5	D189 P190 Y194 S195 K369	D189-G192 PolarHBondContact O-N 3.28Å; D189-G192 PolarHBondContact OD1-N 3.07Å; D189-G192 VanDerWaalsContact OD1-N 3.16Å; D189-G192 VanDerWaalsContact OD2-C 3.26Å; D189-G192 VanDerWaalsContact OD2-CA 3.3Å; D189-G192 WeakPolarHBondContact OD2-CA 3.4Å; P190-G192 VanDerWaalsContact C-N 3.32Å; G192-Y194 PolarHBondContact O-N 3.27Å; G192-S195 WeakPolarHBondContact O-CB 3.4Å; G192-S195 PolarHBondContact O-N 2.86Å; G192-S195 VanDerWaalsContact O-N 3.15Å; G192-S195 PolarHBondContact O-OG 3.4Å; G192-K369 PolarHBondContact O-NZ 3.04Å
193	R	90.1	Very high	89.5	Confident	108 Å²	108	36.2 Å²	36.2	41%	0.408	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.5	176.3	-179.3	175.7	179.3	165.6	1.3	112.1	D189 D191 Q198 I202	D189-R193 VanDerWaalsContact CG-N 3.3Å; D189-R193 WeakPolarHBondContact OD1-CB 3.41Å; D189-R193 PolarHBondContact OD1-N 3.37Å; D189-R193 PolarHBondContact OD2-N 3.29Å; D191-R193 VanDerWaalsContact C-N 3.32Å; D191-R193 PolarHBondContact O-N 3.14Å; R193-Q198 WeakPolarHBondContact O-CB 3.3Å; R193-I202 HydrophobicContact CG-CD1 4.34Å
194	Y	93	Very high	89.8	Confident	19 Å²	19	35.1 Å²	35.1	8%	0.075	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	19.4	179.5	-41.7	-66.6	0	0	0	112.2	C152 G154 V155 L156 N157 D189 G192 I202	C152-Y194 PolarHBondContact SG-O 2.86Å; C152-Y194 VanDerWaalsContact SG-O 3.38Å; G154-Y194 WeakPolarHBondContact O-CD2 3.34Å; V155-Y194 HydrophobicContact CG1-CE2 4.34Å; L156-Y194 HydrophobicContact CB-CD1 3.73Å; L156-Y194 HydrophobicContact CB-CE1 4.09Å; L156-Y194 VanDerWaalsContact N-CD1 3.3Å; L156-Y194 VanDerWaalsContact N-CE1 3.32Å; N157-Y194 PolarHBondContact OD1-OH 3.49Å; D189-Y194 HydrophobicContact CB-CD2 4.27Å; D189-Y194 PolarHBondContact OD2-N 2.78Å; G192-Y194 PolarHBondContact O-N 3.27Å; Y194-I202 HydrophobicContact CD1-CG1 3.99Å; Y194-I202 HydrophobicContact CD1-CG2 4.42Å; Y194-I202 HydrophobicContact CE1-CD1 4.38Å; Y194-I202 HydrophobicContact CE1-CG1 3.95Å
195	S	92.9	Very high	90.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.			trans	-53.7	156.8	171.9	54.3	0	0	0	0	111.3	D182 H183 G192 A197 Q198 Q199 K369	D182-S195 WeakPolarHBondContact O-CB 3.37Å; H183-S195 CarbonylContact O-C 3Å; H183-S195 WeakPolarHBondContact O-CA 3.47Å; H183-S195 WeakPolarHBondContact O-CB 3.38Å; G192-S195 WeakPolarHBondContact O-CB 3.4Å; G192-S195 PolarHBondContact O-N 2.86Å; G192-S195 VanDerWaalsContact O-N 3.15Å; G192-S195 PolarHBondContact O-OG 3.4Å; S195-A197 VanDerWaalsContact C-N 3.3Å; S195-A197 PolarHBondContact O-N 2.99Å; S195-Q198 WeakPolarHBondContact O-CA 3.31Å; S195-Q198 PolarHBondContact O-N 2.89Å; S195-Q198 WeakPolarHBondContact OG-CG 3.49Å; S195-Q199 PolarHBondContact O-N 3.44Å; S195-K369 PolarHBondContact OG-NZ 3.48Å
196	Y	94.6	Very high	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-49.7	-49.1	-174.8	171.3	-96.1	0	0	0	112.8	Q147 M176 F179 W181 H183 Q198 Q199	Q147-Y196 WeakPolarHBondContact CA-OH 3.48Å; Q147-Y196 HydrophobicContact CB-CE2 4.49Å; Q147-Y196 PolarHBondContact NE2-O 3.06Å; Q147-Y196 PolarHBondContact O-OH 2.79Å; Q147-Y196 VanDerWaalsContact OE1-CE1 3.32Å; Q147-Y196 PolarHBondContact OE1-OH 3.49Å; M176-Y196 HydrophobicContact CE-CD1 3.68Å; M176-Y196 HydrophobicContact CE-CD2 3.48Å; M176-Y196 VanDerWaalsContact CE-CD2 3.48Å; M176-Y196 HydrophobicContact CE-CE1 4.36Å; M176-Y196 HydrophobicContact CE-CE2 4.17Å; M176-Y196 HydrophobicContact CE-CG 3.19Å; F179-Y196 HydrophobicContact CE2-CD1 4.24Å; F179-Y196 AromaticContact CE2-CE1 3.8Å; F179-Y196 HydrophobicContact CE2-CE1 3.8Å; F179-Y196 HydrophobicContact CZ-CE1 4.47Å; W181-Y196 HydrophobicContact CE3-CD1 4.23Å; W181-Y196 HydrophobicContact CE3-CE1 4.13Å; W181-Y196 HydrophobicContact CZ3-CE1 4.01Å; H183-Y196 PolarHBondContact O-N 3.35Å; Y196-Q198 PolarHBondContact O-N 3.38Å; Y196-Q199 PolarHBondContact O-N 3.41Å
197	A	94.4	Very high	91.4	Very high	30 Å²	30	37.7 Å²	37.7	25%	0.248	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.1	-24.3	177.7	0	0	0	0	0	114.2	W181 S195	W181-A197 HydrophobicContact CB-CB 4.3Å; W181-A197 HydrophobicContact CE3-CB 4.04Å; W181-A197 WeakPolarHBondContact O-CB 3.45Å; W181-A197 PolarHBondContact O-N 2.9Å; W181-A197 VanDerWaalsContact O-N 3.11Å; S195-A197 VanDerWaalsContact C-N 3.3Å; S195-A197 PolarHBondContact O-N 2.99Å
198	Q	94.3	Very high	92.6	Very high	25 Å²	25	34.8 Å²	34.8	12%	0.117	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-88.1	-14.5	-178.4	-67.9	-48.6	-51.9	0	0	114.6	R193 S195 Y196 P200 N201 I202 I367	R193-Q198 WeakPolarHBondContact O-CB 3.3Å; S195-Q198 WeakPolarHBondContact O-CA 3.31Å; S195-Q198 PolarHBondContact O-N 2.89Å; S195-Q198 WeakPolarHBondContact OG-CG 3.49Å; Y196-Q198 PolarHBondContact O-N 3.38Å; Q198-P200 VanDerWaalsContact C-N 3.34Å; Q198-N201 PolarHBondContact O-N 3.43Å; Q198-N201 PolarHBondContact OE1-ND2 3.27Å; Q198-I202 WeakPolarHBondContact O-CG2 3.49Å; Q198-I202 PolarHBondContact O-N 2.77Å; Q198-I367 HydrophobicContact CG-CD1 3.52Å; Q198-I367 HydrophobicContact CG-CG1 4.47Å; Q198-I367 VanDerWaalsContact NE2-CG1 3.28Å; Q198-I367 VanDerWaalsContact OE1-CD1 3.26Å
199	Q	97	Very high	93.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-53.7	-43	-178.4	-67	-174.9	85.9	0	0	113.6	V143 F151 L156 S195 Y196 N201 I202 C203	V143-Q199 HydrophobicContact CG2-CB 3.83Å; F151-Q199 PolarHBondContact O-NE2 2.93Å; L156-Q199 HydrophobicContact CD1-CB 4.17Å; L156-Q199 HydrophobicContact CD1-CG 3.86Å; S195-Q199 PolarHBondContact O-N 3.44Å; Y196-Q199 PolarHBondContact O-N 3.41Å; Q199-N201 PolarHBondContact O-N 3.32Å; Q199-I202 WeakPolarHBondContact O-CG2 3.49Å; Q199-C203 VanDerWaalsContact O-CB 3.29Å; Q199-C203 WeakPolarHBondContact O-CB 3.3Å; Q199-C203 PolarHBondContact O-N 3.46Å; Q199-C203 VanDerWaalsContact O-N 3.09Å; Q199-C203 PolarHBondContact O-SG 3.39Å
200	P	97.8	Very high	94.3	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-43	175.9	-23.8	35.7	0	0	0	112.8	V143 Q147 Q198 C203 A204 Y250 F254	V143-P200 HydrophobicContact CG2-CG 4.19Å; Q147-P200 HydrophobicContact CG-CG 4.22Å; Q198-P200 VanDerWaalsContact C-N 3.34Å; P200-C203 PolarHBondContact O-N 3.06Å; P200-A204 PolarHBondContact O-N 3.02Å; P200-A204 VanDerWaalsContact O-N 3.09Å; P200-Y250 WeakPolarHBondContact O-CE1 3.33Å; P200-Y250 PolarHBondContact O-OH 2.88Å; P200-F254 HydrophobicContact CB-CD2 4.47Å; P200-F254 HydrophobicContact CB-CE1 4.32Å; P200-F254 HydrophobicContact CB-CE2 3.99Å; P200-F254 HydrophobicContact CB-CZ 3.91Å; P200-F254 HydrophobicContact CG-CE1 4.32Å; P200-F254 HydrophobicContact CG-CE2 3.8Å; P200-F254 HydrophobicContact CG-CZ 3.57Å
201	N	96.4	Very high	95.3	Very high	84 Å²	84	27.4 Å²	27.4	45%	0.449	14%	0.136	S	C	.	.	H	α-helix	trans	-70.4	-44	-177.9	-68	-19.8	0	0	0	112.1	Q198 Q199 C203 A204 W205	Q198-N201 PolarHBondContact O-N 3.43Å; Q198-N201 PolarHBondContact OE1-ND2 3.27Å; Q199-N201 PolarHBondContact O-N 3.32Å; N201-C203 VanDerWaalsContact C-N 3.28Å; N201-C203 PolarHBondContact O-N 3.45Å; N201-A204 WeakPolarHBondContact O-CB 3.41Å; N201-A204 PolarHBondContact O-N 3.13Å; N201-W205 WeakPolarHBondContact O-CB 3.3Å; N201-W205 PolarHBondContact O-N 3.19Å
202	I	97.1	Very high	96	Very high	13 Å²	13	27.5 Å²	27.5	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-32.6	178.4	-167.8	62.5	0	0	0	111.6	L156 R193 Y194 Q198 Q199 W205 N206	L156-I202 HydrophobicContact CB-CG1 4.37Å; L156-I202 HydrophobicContact CB-CG2 3.96Å; L156-I202 HydrophobicContact CD1-CG2 3.68Å; R193-I202 HydrophobicContact CG-CD1 4.34Å; Y194-I202 HydrophobicContact CD1-CG1 3.99Å; Y194-I202 HydrophobicContact CD1-CG2 4.42Å; Y194-I202 HydrophobicContact CE1-CD1 4.38Å; Y194-I202 HydrophobicContact CE1-CG1 3.95Å; Q198-I202 WeakPolarHBondContact O-CG2 3.49Å; Q198-I202 PolarHBondContact O-N 2.77Å; Q199-I202 WeakPolarHBondContact O-CG2 3.49Å; I202-W205 HydrophobicContact CD1-CB 4.36Å; I202-W205 HydrophobicContact CD1-CD2 4.22Å; I202-W205 HydrophobicContact CD1-CE3 3.98Å; I202-W205 HydrophobicContact CD1-CG 4.41Å; I202-W205 WeakPolarHBondContact O-CB 3.17Å; I202-W205 PolarHBondContact O-N 3.22Å; I202-N206 WeakPolarHBondContact O-CB 3.19Å; I202-N206 VanDerWaalsContact O-CG 3.29Å; I202-N206 PolarHBondContact O-N 2.84Å; I202-N206 PolarHBondContact O-ND2 2.98Å
203	C	98.4	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.9	-39.6	172.7	-73.3	0	0	0	0	111.8	T139 V143 M161 Q199 P200 N201 N206 C207 Y250	T139-C203 HydrophobicContact CG2-CB 3.88Å; V143-C203 HydrophobicContact CG1-CB 4.41Å; M161-C203 HydrophobicContact CE-CB 4.32Å; Q199-C203 VanDerWaalsContact O-CB 3.29Å; Q199-C203 WeakPolarHBondContact O-CB 3.3Å; Q199-C203 PolarHBondContact O-N 3.46Å; Q199-C203 VanDerWaalsContact O-N 3.09Å; Q199-C203 PolarHBondContact O-SG 3.39Å; P200-C203 PolarHBondContact O-N 3.06Å; N201-C203 VanDerWaalsContact C-N 3.28Å; N201-C203 PolarHBondContact O-N 3.45Å; C203-N206 PolarHBondContact O-N 3.49Å; C203-C207 PolarHBondContact O-N 3.33Å; C203-C207 PolarHBondContact O-SG 2.86Å; C203-Y250 WeakPolarHBondContact CB-OH 3.39Å
204	A	98.3	Very high	96.9	Very high	20 Å²	20	23 Å²	23	17%	0.165	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-44.3	172.2	0	0	0	0	0	111.4	P200 N201 N206 C207 A208 Y250	P200-A204 PolarHBondContact O-N 3.02Å; P200-A204 VanDerWaalsContact O-N 3.09Å; N201-A204 WeakPolarHBondContact O-CB 3.41Å; N201-A204 PolarHBondContact O-N 3.13Å; A204-N206 VanDerWaalsContact C-N 3.31Å; A204-N206 PolarHBondContact O-N 2.84Å; A204-C207 WeakPolarHBondContact O-CB 3.38Å; A204-C207 PolarHBondContact O-N 3.21Å; A204-C207 VanDerWaalsContact O-N 3.12Å; A204-A208 PolarHBondContact O-N 2.86Å; A204-Y250 HydrophobicContact CB-CD1 3.71Å; A204-Y250 HydrophobicContact CB-CD2 4.48Å; A204-Y250 HydrophobicContact CB-CE1 3.48Å; A204-Y250 VanDerWaalsContact CB-CE1 3.48Å; A204-Y250 HydrophobicContact CB-CE2 4.26Å; A204-Y250 HydrophobicContact CB-CG 4.23Å; A204-Y250 PolarHBondContact N-OH 3.44Å
205	W	97.9	Very high	97.1	Very high	107 Å²	107	22.9 Å²	22.9	41%	0.405	12%	0.12	S	C	.	.	H	α-helix	trans	-59.4	-41.6	175.9	-178.1	98.6	0	0	0	111.5	T158 N201 I202 A208 R209	T158-W205 HydrophobicContact CG2-CZ3 4.14Å; N201-W205 WeakPolarHBondContact O-CB 3.3Å; N201-W205 PolarHBondContact O-N 3.19Å; I202-W205 HydrophobicContact CD1-CB 4.36Å; I202-W205 HydrophobicContact CD1-CD2 4.22Å; I202-W205 HydrophobicContact CD1-CE3 3.98Å; I202-W205 HydrophobicContact CD1-CG 4.41Å; I202-W205 WeakPolarHBondContact O-CB 3.17Å; I202-W205 PolarHBondContact O-N 3.22Å; W205-A208 WeakPolarHBondContact O-CB 3.23Å; W205-A208 PolarHBondContact O-N 3.37Å; W205-R209 VanDerWaalsContact CD1-NH1 3.32Å; W205-R209 HydrophobicContact CD2-CG 4.23Å; W205-R209 HydrophobicContact CE3-CG 3.88Å; W205-R209 HydrophobicContact CH2-CG 3.59Å; W205-R209 HydrophobicContact CZ2-CG 3.99Å; W205-R209 HydrophobicContact CZ3-CG 3.56Å; W205-R209 WeakPolarHBondContact O-CG 3.39Å; W205-R209 PolarHBondContact O-N 3.19Å
206	N	98.5	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-38.9	174.6	-76.3	-29.8	0	0	0	112	F75 L156 T158 M161 I202 C203 A204 A208 R209 L210	F75-N206 HydrophobicContact CD2-CB 3.92Å; F75-N206 WeakPolarHBondContact CD2-O 3.43Å; F75-N206 HydrophobicContact CE2-CB 4.11Å; L156-N206 PolarHBondContact O-ND2 2.78Å; T158-N206 HydrophobicContact CG2-CB 4.29Å; T158-N206 VanDerWaalsContact CG2-OD1 3.22Å; T158-N206 WeakPolarHBondContact CG2-OD1 2.97Å; M161-N206 HydrophobicContact CG-CB 3.86Å; M161-N206 WeakPolarHBondContact CG-ND2 3.49Å; I202-N206 WeakPolarHBondContact O-CB 3.19Å; I202-N206 VanDerWaalsContact O-CG 3.29Å; I202-N206 PolarHBondContact O-N 2.84Å; I202-N206 PolarHBondContact O-ND2 2.98Å; C203-N206 PolarHBondContact O-N 3.49Å; A204-N206 VanDerWaalsContact C-N 3.31Å; A204-N206 PolarHBondContact O-N 2.84Å; N206-A208 VanDerWaalsContact C-N 3.31Å; N206-A208 PolarHBondContact O-N 2.82Å; N206-R209 PolarHBondContact O-N 3.26Å; N206-L210 PolarHBondContact O-N 2.91Å
207	C	98.6	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-39.9	171.8	-70.3	0	0	0	0	111.7	F132 V136 C203 A204 R209 L210 A211 L246	F132-C207 HydrophobicContact CE2-CB 4.39Å; F132-C207 VanDerWaalsContact CE2-O 3.27Å; F132-C207 WeakPolarHBondContact CE2-O 3.11Å; F132-C207 HydrophobicContact CZ-CB 4.44Å; V136-C207 HydrophobicContact CG2-CB 4.17Å; C203-C207 PolarHBondContact O-N 3.33Å; C203-C207 PolarHBondContact O-SG 2.86Å; A204-C207 WeakPolarHBondContact O-CB 3.38Å; A204-C207 PolarHBondContact O-N 3.21Å; A204-C207 VanDerWaalsContact O-N 3.12Å; C207-R209 PolarHBondContact O-N 2.81Å; C207-L210 WeakPolarHBondContact O-CB 3.47Å; C207-L210 PolarHBondContact O-N 2.9Å; C207-A211 PolarHBondContact O-N 2.94Å; C207-L246 HydrophobicContact CB-CD1 3.7Å
208	A	98.5	Very high	97.4	Very high	21 Å²	21	25.7 Å²	25.7	17%	0.174	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-40.8	174.9	0	0	0	0	0	112.3	A204 W205 N206 L210 A211 E212 L246	A204-A208 PolarHBondContact O-N 2.86Å; W205-A208 WeakPolarHBondContact O-CB 3.23Å; W205-A208 PolarHBondContact O-N 3.37Å; N206-A208 VanDerWaalsContact C-N 3.31Å; N206-A208 PolarHBondContact O-N 2.82Å; A208-L210 VanDerWaalsContact C-N 3.34Å; A208-L210 PolarHBondContact O-N 3.08Å; A208-A211 WeakPolarHBondContact O-CB 3.23Å; A208-A211 PolarHBondContact O-N 3.47Å; A208-E212 PolarHBondContact O-N 3.46Å; A208-E212 VanDerWaalsContact O-N 3.08Å; A208-L246 HydrophobicContact CB-CD2 3.88Å
209	R	97.3	Very high	97.4	Very high	46 Å²	46	25 Å²	25	17%	0.174	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-37.7	174	-62.7	-60.5	83.9	72.2	-6.5	112.7	T158 W205 N206 C207 E212 C213	T158-R209 HydrophobicContact CG2-CB 3.79Å; T158-R209 HydrophobicContact CG2-CG 4.06Å; W205-R209 VanDerWaalsContact CD1-NH1 3.32Å; W205-R209 HydrophobicContact CD2-CG 4.23Å; W205-R209 HydrophobicContact CE3-CG 3.88Å; W205-R209 HydrophobicContact CH2-CG 3.59Å; W205-R209 HydrophobicContact CZ2-CG 3.99Å; W205-R209 HydrophobicContact CZ3-CG 3.56Å; W205-R209 WeakPolarHBondContact O-CG 3.39Å; W205-R209 PolarHBondContact O-N 3.19Å; N206-R209 PolarHBondContact O-N 3.26Å; C207-R209 PolarHBondContact O-N 2.81Å; R209-E212 WeakPolarHBondContact CD-OE2 3.43Å; R209-E212 IonicContact CZ-OE1 3.57Å; R209-E212 VanDerWaalsContact CZ-OE1 3.26Å; R209-E212 IonicContact CZ-OE2 2.86Å; R209-E212 IonicContact NE-OE1 3.63Å; R209-E212 PolarHBondContact NE-OE1 3.33Å; R209-E212 IonicContact NE-OE2 3.56Å; R209-E212 PolarHBondContact NE-OE2 3.46Å; R209-E212 IonicContact NH2-OE1 3.61Å; R209-E212 PolarHBondContact NH2-OE1 2.94Å; R209-E212 IonicContact NH2-OE2 3.37Å; R209-E212 PolarHBondContact O-N 3.23Å; R209-C213 PolarHBondContact O-N 2.73Å; R209-C213 PolarHBondContact O-SG 3.02Å
210	L	98.5	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-43.3	172.6	178.4	64.3	0	0	0	111.3	F75 F78 F132 V135 I163 N206 C207 A208 E212 C213 L214	F75-L210 HydrophobicContact CB-CB 4.46Å; F75-L210 HydrophobicContact CD1-CD2 3.9Å; F75-L210 HydrophobicContact CD2-CB 4.06Å; F75-L210 HydrophobicContact CD2-CD2 4.43Å; F75-L210 HydrophobicContact CE1-CD2 3.86Å; F75-L210 HydrophobicContact CE2-CB 4.5Å; F75-L210 HydrophobicContact CE2-CD2 4.39Å; F75-L210 HydrophobicContact CG-CB 4.18Å; F75-L210 HydrophobicContact CG-CD2 4.21Å; F75-L210 HydrophobicContact CZ-CD2 4.12Å; F78-L210 HydrophobicContact CB-CD1 4.16Å; F78-L210 HydrophobicContact CD1-CD1 4.34Å; F78-L210 HydrophobicContact CD2-CD1 3.74Å; F78-L210 HydrophobicContact CE2-CD1 4.23Å; F78-L210 HydrophobicContact CG-CD1 3.82Å; F132-L210 HydrophobicContact CD2-CD2 4.34Å; V135-L210 HydrophobicContact CB-CD2 4.43Å; V135-L210 HydrophobicContact CG1-CD2 3.69Å; I163-L210 HydrophobicContact CD1-CD1 4.12Å; I163-L210 HydrophobicContact CD1-CD2 3.69Å; N206-L210 PolarHBondContact O-N 2.91Å; C207-L210 WeakPolarHBondContact O-CB 3.47Å; C207-L210 PolarHBondContact O-N 2.9Å; A208-L210 VanDerWaalsContact C-N 3.34Å; A208-L210 PolarHBondContact O-N 3.08Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.41Å; L210-C213 WeakPolarHBondContact O-CB 3.47Å; L210-C213 PolarHBondContact O-N 3.13Å; L210-C213 VanDerWaalsContact O-N 3.11Å; L210-L214 HydrophobicContact CD1-CG 4.38Å; L210-L214 HydrophobicContact CG-CD1 4.17Å; L210-L214 HydrophobicContact CG-CG 4.41Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.32Å
211	A	98.5	Very high	96.9	Very high	8 Å²	8	27.2 Å²	27.2	7%	0.066	14%	0.135	C	C	.	.	H	α-helix	trans	-56.7	-44.5	177.1	0	0	0	0	0	111.9	F132 C207 A208 C213 L214 I215 F242	F132-A211 HydrophobicContact CD2-CB 4.5Å; F132-A211 HydrophobicContact CE1-CB 4.17Å; F132-A211 HydrophobicContact CE2-CB 3.83Å; F132-A211 HydrophobicContact CZ-CB 3.64Å; C207-A211 PolarHBondContact O-N 2.94Å; A208-A211 WeakPolarHBondContact O-CB 3.23Å; A208-A211 PolarHBondContact O-N 3.47Å; A211-C213 VanDerWaalsContact C-N 3.28Å; A211-C213 PolarHBondContact O-N 3.03Å; A211-L214 PolarHBondContact O-N 3.49Å; A211-L214 VanDerWaalsContact O-N 3.16Å; A211-I215 WeakPolarHBondContact O-CB 3.27Å; A211-I215 WeakPolarHBondContact O-CD1 3.36Å; A211-I215 VanDerWaalsContact O-CG1 3.24Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 3.36Å; A211-F242 HydrophobicContact CB-CB 4.15Å; A211-F242 HydrophobicContact CB-CD1 3.98Å; A211-F242 HydrophobicContact CB-CG 4.43Å
212	E	96.7	Very high	96.6	Very high	86 Å²	86	26.5 Å²	26.5	40%	0.402	13%	0.129	S	C	.	.	H	α-helix	trans	-56	-42.7	175.7	-70.9	166	-175.4	0	0	112	A208 R209 L210 Q216	A208-E212 PolarHBondContact O-N 3.46Å; A208-E212 VanDerWaalsContact O-N 3.08Å; R209-E212 WeakPolarHBondContact CD-OE2 3.43Å; R209-E212 IonicContact CZ-OE1 3.57Å; R209-E212 VanDerWaalsContact CZ-OE1 3.26Å; R209-E212 IonicContact CZ-OE2 2.86Å; R209-E212 IonicContact NE-OE1 3.63Å; R209-E212 PolarHBondContact NE-OE1 3.33Å; R209-E212 IonicContact NE-OE2 3.56Å; R209-E212 PolarHBondContact NE-OE2 3.46Å; R209-E212 IonicContact NH2-OE1 3.61Å; R209-E212 PolarHBondContact NH2-OE1 2.94Å; R209-E212 IonicContact NH2-OE2 3.37Å; R209-E212 PolarHBondContact O-N 3.23Å; L210-E212 VanDerWaalsContact C-N 3.31Å; L210-E212 PolarHBondContact O-N 3.41Å; E212-Q216 WeakPolarHBondContact O-CB 3.4Å; E212-Q216 PolarHBondContact O-N 3.02Å
213	C	97.6	Very high	96.1	Very high	15 Å²	15	29.7 Å²	29.7	10%	0.101	14%	0.142	C	C	.	.	H	α-helix	trans	-67.6	-38.3	178.8	-62	0	0	0	0	112.1	F78 R209 L210 A211 Q216 A217	F78-C213 HydrophobicContact CB-CB 3.78Å; R209-C213 PolarHBondContact O-N 2.73Å; R209-C213 PolarHBondContact O-SG 3.02Å; L210-C213 WeakPolarHBondContact O-CB 3.47Å; L210-C213 PolarHBondContact O-N 3.13Å; L210-C213 VanDerWaalsContact O-N 3.11Å; A211-C213 VanDerWaalsContact C-N 3.28Å; A211-C213 PolarHBondContact O-N 3.03Å; C213-Q216 PolarHBondContact O-N 2.89Å; C213-A217 WeakPolarHBondContact O-CB 3.17Å; C213-A217 PolarHBondContact O-N 3.27Å
214	L	98.4	Very high	95.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-40.5	177.1	-63.9	177.6	0	0	0	112.1	F78 T105 Y128 F131 F132 L210 A211 Q216 A217 L218 F242	F78-L214 HydrophobicContact CD1-CD2 4.32Å; F78-L214 HydrophobicContact CE1-CD2 4.4Å; T105-L214 HydrophobicContact CG2-CD2 3.72Å; Y128-L214 HydrophobicContact CD2-CD2 4.44Å; F131-L214 HydrophobicContact CD1-CD1 4.16Å; F131-L214 HydrophobicContact CD1-CD2 4.47Å; F131-L214 HydrophobicContact CE1-CD1 4.13Å; F131-L214 HydrophobicContact CE1-CD2 4.11Å; F132-L214 HydrophobicContact CB-CD1 3.91Å; F132-L214 HydrophobicContact CD2-CD1 3.94Å; F132-L214 HydrophobicContact CG-CD1 4.25Å; L210-L214 HydrophobicContact CD1-CG 4.38Å; L210-L214 HydrophobicContact CG-CD1 4.17Å; L210-L214 HydrophobicContact CG-CG 4.41Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 3.32Å; A211-L214 PolarHBondContact O-N 3.49Å; A211-L214 VanDerWaalsContact O-N 3.16Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; L214-A217 PolarHBondContact O-N 2.88Å; L214-L218 WeakPolarHBondContact O-CG 3.39Å; L214-L218 PolarHBondContact O-N 3.22Å; L214-L218 VanDerWaalsContact O-N 3.11Å; L214-F242 HydrophobicContact CB-CE1 3.71Å; L214-F242 HydrophobicContact CB-CZ 3.95Å; L214-F242 HydrophobicContact CD1-CE1 3.85Å; L214-F242 HydrophobicContact CG-CE1 4.45Å
215	I	97.5	Very high	94.5	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-47.9	172.4	-68.2	160.5	0	0	0	109.6	A211 A217 L218 I219 L238 F242	A211-I215 WeakPolarHBondContact O-CB 3.27Å; A211-I215 WeakPolarHBondContact O-CD1 3.36Å; A211-I215 VanDerWaalsContact O-CG1 3.24Å; A211-I215 WeakPolarHBondContact O-CG1 3.36Å; A211-I215 PolarHBondContact O-N 3.36Å; I215-A217 VanDerWaalsContact C-N 3.29Å; I215-A217 PolarHBondContact O-N 3Å; I215-L218 PolarHBondContact O-N 3.39Å; I215-I219 HydrophobicContact CG2-CD1 3.73Å; I215-I219 HydrophobicContact CG2-CG1 4.43Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.48Å; I215-L238 HydrophobicContact CG2-CB 4.2Å; I215-L238 HydrophobicContact CG2-CD1 4.4Å; I215-F242 HydrophobicContact CD1-CB 3.96Å; I215-F242 HydrophobicContact CD1-CD2 4.22Å; I215-F242 HydrophobicContact CD1-CG 4.13Å; I215-F242 HydrophobicContact CG1-CB 4.26Å; I215-F242 HydrophobicContact CG1-CD2 3.59Å; I215-F242 HydrophobicContact CG1-CE2 4.02Å; I215-F242 HydrophobicContact CG1-CG 3.88Å
216	Q	95.6	Very high	93.4	Very high	78 Å²	78	39.2 Å²	39.2	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-60.9	-39.8	178.8	-170.7	58.7	53.7	0	0	111.7	E212 C213 L214 L218 I219 D220	E212-Q216 WeakPolarHBondContact O-CB 3.4Å; E212-Q216 PolarHBondContact O-N 3.02Å; C213-Q216 PolarHBondContact O-N 2.89Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 3.36Å; Q216-I219 WeakPolarHBondContact O-CB 3.41Å; Q216-I219 PolarHBondContact O-N 3.44Å; Q216-D220 PolarHBondContact NE2-OD1 3.23Å; Q216-D220 WeakPolarHBondContact O-CB 3.38Å; Q216-D220 PolarHBondContact O-N 3.28Å
217	A	96.5	Very high	92	Very high	2 Å²	2	47.1 Å²	47.1	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-40.3	176.2	0	0	0	0	0	112.9	V101 Y128 C213 L214 I215 D220 Q221	V101-A217 HydrophobicContact CB-CB 4.09Å; V101-A217 HydrophobicContact CG1-CB 3.79Å; Y128-A217 HydrophobicContact CE2-CB 4.19Å; C213-A217 WeakPolarHBondContact O-CB 3.17Å; C213-A217 PolarHBondContact O-N 3.27Å; L214-A217 PolarHBondContact O-N 2.88Å; I215-A217 VanDerWaalsContact C-N 3.29Å; I215-A217 PolarHBondContact O-N 3Å; A217-D220 PolarHBondContact O-N 2.82Å; A217-Q221 WeakPolarHBondContact O-CG 3.45Å; A217-Q221 PolarHBondContact O-N 3.34Å
218	L	96.1	Very high	90.6	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-40.4	175.6	-69.7	168.4	0	0	0	111.8	I124 Y128 L214 I215 Q216 Q221 Q222 L238 F242	I124-L218 HydrophobicContact CG2-CD2 4.12Å; Y128-L218 HydrophobicContact CD2-CD1 4.18Å; Y128-L218 HydrophobicContact CD2-CD2 3.71Å; Y128-L218 HydrophobicContact CD2-CG 3.72Å; Y128-L218 HydrophobicContact CE2-CD2 4.03Å; Y128-L218 HydrophobicContact CE2-CG 4.19Å; Y128-L218 HydrophobicContact CG-CD2 4.24Å; L214-L218 WeakPolarHBondContact O-CG 3.39Å; L214-L218 PolarHBondContact O-N 3.22Å; L214-L218 VanDerWaalsContact O-N 3.11Å; I215-L218 PolarHBondContact O-N 3.39Å; Q216-L218 PolarHBondContact O-N 3.36Å; L218-Q221 PolarHBondContact O-N 3.41Å; L218-Q222 PolarHBondContact O-N 2.93Å; L218-Q222 VanDerWaalsContact O-N 3.13Å; L218-L238 HydrophobicContact CB-CD1 3.91Å; L218-L238 HydrophobicContact CD1-CD1 4.28Å; L218-L238 HydrophobicContact CD1-CD2 3.9Å; L218-F242 HydrophobicContact CD1-CE2 3.87Å; L218-F242 HydrophobicContact CD1-CZ 4.13Å
219	I	94.6	Very high	89.6	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-62.2	-45.3	175.3	-70.5	169.2	0	0	0	110.9	I215 Q216 Q222 K223 I230 F234 V235 L238	I215-I219 HydrophobicContact CG2-CD1 3.73Å; I215-I219 HydrophobicContact CG2-CG1 4.43Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.48Å; Q216-I219 WeakPolarHBondContact O-CB 3.41Å; Q216-I219 PolarHBondContact O-N 3.44Å; I219-Q222 PolarHBondContact O-N 2.86Å; I219-K223 HydrophobicContact CG2-CD 4.41Å; I219-K223 PolarHBondContact O-N 3.19Å; I219-I230 HydrophobicContact CG2-CD1 3.19Å; I219-I230 HydrophobicContact CG2-CG1 4.07Å; I219-I230 HydrophobicContact CG2-CG2 4.42Å; I219-F234 HydrophobicContact CG1-CE1 4.3Å; I219-V235 HydrophobicContact CD1-CB 4.39Å; I219-V235 HydrophobicContact CD1-CG1 3.96Å; I219-V235 HydrophobicContact CD1-CG2 3.77Å; I219-V235 HydrophobicContact CG1-CG2 4.15Å; I219-L238 HydrophobicContact CG1-CD1 4.18Å
220	D	93.4	Very high	88.7	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.059	31%	0.31	C	S	.	.	H	α-helix	trans	-68.5	-35.6	-178.5	-70.7	-17.2	0	0	0	111.9	L98 Q216 A217 K223 Y224	L98-D220 HydrophobicContact CB-CB 4.01Å; L98-D220 HydrophobicContact CD2-CB 4.11Å; L98-D220 VanDerWaalsContact O-CB 3.3Å; L98-D220 WeakPolarHBondContact O-CB 3.37Å; Q216-D220 PolarHBondContact NE2-OD1 3.23Å; Q216-D220 WeakPolarHBondContact O-CB 3.38Å; Q216-D220 PolarHBondContact O-N 3.28Å; A217-D220 PolarHBondContact O-N 2.82Å; D220-K223 PolarHBondContact O-N 3.36Å; D220-K223 IonicContact OD1-NZ 3.26Å; D220-Y224 WeakPolarHBondContact O-CB 3.33Å; D220-Y224 PolarHBondContact O-N 2.91Å
221	Q	90.8	Very high	88.1	Confident	46 Å²	46	64.6 Å²	64.6	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-44.2	170.1	-77.9	-176.8	-38.9	0	0	112.1	S102 A217 L218 Y224 S225	S102-Q221 VanDerWaalsContact CB-NE2 3.33Å; A217-Q221 WeakPolarHBondContact O-CG 3.45Å; A217-Q221 PolarHBondContact O-N 3.34Å; L218-Q221 PolarHBondContact O-N 3.41Å; Q221-Y224 PolarHBondContact O-N 2.87Å; Q221-S225 PolarHBondContact O-N 2.83Å; Q221-S225 PolarHBondContact O-OG 3.17Å
222	Q	88.8	Confident	87.7	Confident	68 Å²	68	72.3 Å²	72.3	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-42.6	179.3	-170.2	-179	19.1	0	0	112.2	L218 I219 Y224 S225 S226	L218-Q222 PolarHBondContact O-N 2.93Å; L218-Q222 VanDerWaalsContact O-N 3.13Å; I219-Q222 PolarHBondContact O-N 2.86Å; Q222-Y224 VanDerWaalsContact C-N 3.33Å; Q222-Y224 PolarHBondContact O-N 2.73Å; Q222-S225 PolarHBondContact O-N 3.43Å; Q222-S226 PolarHBondContact O-N 2.93Å; Q222-S226 VanDerWaalsContact O-N 3.12Å; Q222-S226 PolarHBondContact O-OG 3.33Å
223	K	87.1	Confident	87.5	Confident	80 Å²	80	74.9 Å²	74.9	35%	0.348	38%	0.376	S	S	.	.	H	α-helix	trans	-55.1	-49.7	172.4	-82.3	167.8	149.9	148.4	0	111.2	I219 D220 S225 D227 I230	I219-K223 HydrophobicContact CG2-CD 4.41Å; I219-K223 PolarHBondContact O-N 3.19Å; D220-K223 PolarHBondContact O-N 3.36Å; D220-K223 IonicContact OD1-NZ 3.26Å; K223-S225 VanDerWaalsContact C-N 3.31Å; K223-S225 PolarHBondContact O-N 2.95Å; K223-D227 PolarHBondContact O-N 2.88Å; K223-I230 HydrophobicContact CD-CD1 3.57Å; K223-I230 HydrophobicContact CD-CG1 4.17Å; K223-I230 HydrophobicContact CG-CD1 3.62Å; K223-I230 HydrophobicContact CG-CG1 3.61Å; K223-I230 VanDerWaalsContact NZ-CD1 3.34Å
224	Y	81.2	Confident	87.2	Confident	173 Å²	173	77 Å²	77	68%	0.678	38%	0.384	S	S	*	.	H	α-helix	trans	-61.8	-37.5	-178.4	-175.9	-98.6	0	0	0	112.6	T99 D220 Q221 Q222	T99-Y224 HydrophobicContact CG2-CD2 4.35Å; T99-Y224 HydrophobicContact CG2-CE2 4.46Å; D220-Y224 WeakPolarHBondContact O-CB 3.33Å; D220-Y224 PolarHBondContact O-N 2.91Å; Q221-Y224 PolarHBondContact O-N 2.87Å; Q222-Y224 VanDerWaalsContact C-N 3.33Å; Q222-Y224 PolarHBondContact O-N 2.73Å
225	S	81.9	Confident	87	Confident	104 Å²	104	78.9 Å²	78.9	73%	0.727	40%	0.395	S	S	*	.	H	α-helix	trans	-83.4	-23	-177.1	-64.2	0	0	0	0	115.5	Q221 Q222 K223	Q221-S225 PolarHBondContact O-N 2.83Å; Q221-S225 PolarHBondContact O-OG 3.17Å; Q222-S225 PolarHBondContact O-N 3.43Å; K223-S225 VanDerWaalsContact C-N 3.31Å; K223-S225 PolarHBondContact O-N 2.95Å
226	S	74.7	Confident	87	Confident	51 Å²	51	82.7 Å²	82.7	36%	0.357	42%	0.416	S	S	.	.	H	α-helix	trans	-125.1	-7.1	-166.7	62.8	0	0	0	0	116.6	Q222 K228	Q222-S226 PolarHBondContact O-N 2.93Å; Q222-S226 VanDerWaalsContact O-N 3.12Å; Q222-S226 PolarHBondContact O-OG 3.33Å; S226-K228 WeakPolarHBondContact O-CG 3.44Å; S226-K228 PolarHBondContact O-N 3.32Å
227	D	68.6	Low	87	Confident	165 Å²	165	82.8 Å²	82.8	88%	0.882	42%	0.419	S	S	*	.			trans	47.4	16.7	-177.1	-149.8	18.1	0	0	0	114.8	K223	K223-D227 PolarHBondContact O-N 2.88Å
228	K	69.4	Low	87	Confident	159 Å²	159	82.8 Å²	82.8	69%	0.691	42%	0.419	S	S	*	.	S	Bend	trans	-97.9	153.1	-178	-79.8	176.7	-176.7	-177.3	0	110.4	S226 I230	S226-K228 WeakPolarHBondContact O-CG 3.44Å; S226-K228 PolarHBondContact O-N 3.32Å; K228-I230 PolarHBondContact O-N 3.43Å
229	T	78.3	Confident	87.1	Confident	139 Å²	139	85 Å²	85	85%	0.853	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-57	133.2	166	46.1	0	0	0	0	109.8	D231	T229-D231 PolarHBondContact O-N 2.72Å
230	I	78.9	Confident	87.3	Confident	47 Å²	47	91.8 Å²	91.8	24%	0.241	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-69.4	130	178.1	-57.7	155.3	0	0	0	109.1	I219 K223 K228 F234 V235	I219-I230 HydrophobicContact CG2-CD1 3.19Å; I219-I230 HydrophobicContact CG2-CG1 4.07Å; I219-I230 HydrophobicContact CG2-CG2 4.42Å; K223-I230 HydrophobicContact CD-CD1 3.57Å; K223-I230 HydrophobicContact CD-CG1 4.17Å; K223-I230 HydrophobicContact CG-CD1 3.62Å; K223-I230 HydrophobicContact CG-CG1 3.61Å; K223-I230 VanDerWaalsContact NZ-CD1 3.34Å; K228-I230 PolarHBondContact O-N 3.43Å; I230-F234 HydrophobicContact CG2-CD1 4.34Å; I230-V235 HydrophobicContact CG2-CG2 3.52Å
231	D	85.3	Confident	87.5	Confident	89 Å²	89	94.5 Å²	94.5	48%	0.476	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-69	128.6	172	-174.8	-0	0	0	0	111.1	T229 E233 F234 V235	T229-D231 PolarHBondContact O-N 2.72Å; D231-E233 PolarHBondContact O-N 3.41Å; D231-E233 WeakPolarHBondContact OD1-CB 3.46Å; D231-E233 PolarHBondContact OD1-N 3.21Å; D231-F234 HydrophobicContact CB-CB 4.15Å; D231-F234 WeakPolarHBondContact O-CB 3.37Å; D231-F234 PolarHBondContact O-N 3.15Å; D231-V235 PolarHBondContact O-N 3.4Å
232	K	90.3	Very high	87.9	Confident	171 Å²	171	92.3 Å²	92.3	74%	0.743	46%	0.463	S	S	*	.	H	α-helix	trans	-60.4	-33.1	174.2	-71.1	-177.7	178.4	178.9	0	111.7	V235 N236	K232-V235 PolarHBondContact O-N 3.43Å; K232-N236 WeakPolarHBondContact O-CB 3.31Å; K232-N236 PolarHBondContact O-N 3.32Å; K232-N236 PolarHBondContact O-ND2 3.09Å
233	E	92.7	Very high	88.3	Confident	139 Å²	139	92.1 Å²	92.1	65%	0.65	47%	0.467	S	S	*	.	H	α-helix	trans	-65.3	-41.5	178	-170.5	176	169.8	0	0	111.4	D231 N236 N237	D231-E233 PolarHBondContact O-N 3.41Å; D231-E233 WeakPolarHBondContact OD1-CB 3.46Å; D231-E233 PolarHBondContact OD1-N 3.21Å; E233-N236 PolarHBondContact O-N 3.09Å; E233-N237 WeakPolarHBondContact O-CB 3.41Å; E233-N237 PolarHBondContact O-N 2.98Å
234	F	91.5	Very high	88.9	Confident	60 Å²	60	92.7 Å²	92.7	26%	0.263	47%	0.473	S	S	.	.	H	α-helix	trans	-58.6	-49.4	174.8	174.7	-101.1	0	0	0	111.9	I219 I230 D231 N236 N237 L238	I219-F234 HydrophobicContact CG1-CE1 4.3Å; I230-F234 HydrophobicContact CG2-CD1 4.34Å; D231-F234 HydrophobicContact CB-CB 4.15Å; D231-F234 WeakPolarHBondContact O-CB 3.37Å; D231-F234 PolarHBondContact O-N 3.15Å; F234-N236 PolarHBondContact O-N 2.86Å; F234-N237 PolarHBondContact O-N 2.7Å; F234-L238 HydrophobicContact CD1-CD1 4.05Å; F234-L238 HydrophobicContact CE1-CD1 3.34Å; F234-L238 HydrophobicContact CE1-CG 4.12Å; F234-L238 HydrophobicContact CE2-CD1 4.26Å; F234-L238 HydrophobicContact CE2-CG 4.28Å; F234-L238 HydrophobicContact CZ-CD1 3.49Å; F234-L238 VanDerWaalsContact CZ-CD1 3.49Å; F234-L238 HydrophobicContact CZ-CD2 4.36Å; F234-L238 HydrophobicContact CZ-CG 3.99Å; F234-L238 PolarHBondContact O-N 2.89Å
235	V	94.3	Very high	89.7	Confident	39 Å²	39	85.2 Å²	85.2	24%	0.236	45%	0.446	C	S	.	.	H	α-helix	trans	-60	-46.7	177.7	178.2	0	0	0	0	110.9	I219 I230 D231 K232 N237 L238 T239	I219-V235 HydrophobicContact CD1-CB 4.39Å; I219-V235 HydrophobicContact CD1-CG1 3.96Å; I219-V235 HydrophobicContact CD1-CG2 3.77Å; I219-V235 HydrophobicContact CG1-CG2 4.15Å; I230-V235 HydrophobicContact CG2-CG2 3.52Å; D231-V235 PolarHBondContact O-N 3.4Å; K232-V235 PolarHBondContact O-N 3.43Å; V235-N237 VanDerWaalsContact C-N 3.3Å; V235-N237 PolarHBondContact O-N 2.79Å; V235-L238 PolarHBondContact O-N 3.47Å; V235-T239 PolarHBondContact O-N 3.24Å; V235-T239 PolarHBondContact O-OG1 3.17Å; V235-T239 VanDerWaalsContact O-OG1 3.09Å
236	N	96.4	Very high	90.4	Very high	95 Å²	95	81.6 Å²	81.6	51%	0.508	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-38.2	178.9	-73.7	-21.7	0	0	0	112.3	K232 E233 F234 K240	K232-N236 WeakPolarHBondContact O-CB 3.31Å; K232-N236 PolarHBondContact O-N 3.32Å; K232-N236 PolarHBondContact O-ND2 3.09Å; E233-N236 PolarHBondContact O-N 3.09Å; F234-N236 PolarHBondContact O-N 2.86Å; N236-K240 WeakPolarHBondContact O-CB 3.48Å; N236-K240 VanDerWaalsContact O-CG 3.28Å; N236-K240 WeakPolarHBondContact O-CG 3.08Å; N236-K240 PolarHBondContact O-N 3.47Å
237	N	96.6	Very high	91.5	Very high	81 Å²	81	84.6 Å²	84.6	43%	0.433	43%	0.43	S	S	.	.	H	α-helix	trans	-66.7	-46.5	177.1	-167.3	-17.6	0	0	0	111.2	E233 F234 V235 T239 K240 K241	E233-N237 WeakPolarHBondContact O-CB 3.41Å; E233-N237 PolarHBondContact O-N 2.98Å; F234-N237 PolarHBondContact O-N 2.7Å; V235-N237 VanDerWaalsContact C-N 3.3Å; V235-N237 PolarHBondContact O-N 2.79Å; N237-T239 PolarHBondContact O-N 2.95Å; N237-K240 PolarHBondContact O-N 3.39Å; N237-K241 WeakPolarHBondContact O-CG 3.26Å; N237-K241 PolarHBondContact O-N 2.91Å; N237-K241 VanDerWaalsContact OD1-CE 3.27Å; N237-K241 WeakPolarHBondContact OD1-CE 3.48Å
238	L	96.4	Very high	92.9	Very high	2 Å²	2	80.5 Å²	80.5	1%	0.01	41%	0.411	C	S	.	.	H	α-helix	trans	-56.3	-51.2	174.3	-74.2	-177.3	0	0	0	111.6	M125 I215 L218 I219 F234 V235 K240 K241 F242	M125-L238 HydrophobicContact CG-CD2 3.87Å; M125-L238 HydrophobicContact SD-CD2 3.86Å; I215-L238 HydrophobicContact CG2-CB 4.2Å; I215-L238 HydrophobicContact CG2-CD1 4.4Å; L218-L238 HydrophobicContact CB-CD1 3.91Å; L218-L238 HydrophobicContact CD1-CD1 4.28Å; L218-L238 HydrophobicContact CD1-CD2 3.9Å; I219-L238 HydrophobicContact CG1-CD1 4.18Å; F234-L238 HydrophobicContact CD1-CD1 4.05Å; F234-L238 HydrophobicContact CE1-CD1 3.34Å; F234-L238 HydrophobicContact CE1-CG 4.12Å; F234-L238 HydrophobicContact CE2-CD1 4.26Å; F234-L238 HydrophobicContact CE2-CG 4.28Å; F234-L238 HydrophobicContact CZ-CD1 3.49Å; F234-L238 VanDerWaalsContact CZ-CD1 3.49Å; F234-L238 HydrophobicContact CZ-CD2 4.36Å; F234-L238 HydrophobicContact CZ-CG 3.99Å; F234-L238 PolarHBondContact O-N 2.89Å; V235-L238 PolarHBondContact O-N 3.47Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 2.93Å; L238-K241 PolarHBondContact O-N 2.99Å; L238-K241 VanDerWaalsContact O-N 3.11Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 PolarHBondContact O-N 3.35Å; L238-F242 VanDerWaalsContact O-N 3.07Å
239	T	97.7	Very high	94.3	Very high	57 Å²	57	73.6 Å²	73.6	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-55.9	-47.3	178.5	-58.5	0	0	0	0	111.3	V235 N237 K241 F242 T243	V235-T239 PolarHBondContact O-N 3.24Å; V235-T239 PolarHBondContact O-OG1 3.17Å; V235-T239 VanDerWaalsContact O-OG1 3.09Å; N237-T239 PolarHBondContact O-N 2.95Å; T239-K241 VanDerWaalsContact C-N 3.34Å; T239-K241 PolarHBondContact O-N 2.92Å; T239-F242 PolarHBondContact O-N 2.65Å; T239-T243 WeakPolarHBondContact O-CB 3.36Å; T239-T243 PolarHBondContact O-N 2.9Å; T239-T243 PolarHBondContact O-OG1 3.21Å
240	K	98.3	Very high	95.2	Very high	152 Å²	152	67.1 Å²	67.1	66%	0.661	34%	0.342	S	S	*	.	H	α-helix	trans	-58.1	-42.9	176.8	-76	174.3	-179	-179	0	112.6	N236 N237 L238 N244	N236-K240 WeakPolarHBondContact O-CB 3.48Å; N236-K240 VanDerWaalsContact O-CG 3.28Å; N236-K240 WeakPolarHBondContact O-CG 3.08Å; N236-K240 PolarHBondContact O-N 3.47Å; N237-K240 PolarHBondContact O-N 3.39Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 2.93Å; K240-N244 WeakPolarHBondContact O-CB 3.19Å; K240-N244 PolarHBondContact O-N 3.41Å
241	K	98.5	Very high	96.1	Very high	67 Å²	67	68.3 Å²	68.3	29%	0.291	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-47.9	179.8	-71	-177	-178.9	-175.1	0	112.1	M125 L129 N237 L238 T239 N244 V245	M125-K241 VanDerWaalsContact CE-NZ 3.32Å; M125-K241 HydrophobicContact SD-CD 4.47Å; M125-K241 PolarHBondContact SD-NZ 2.77Å; M125-K241 VanDerWaalsContact SD-NZ 3.35Å; L129-K241 HydrophobicContact CD1-CB 4.11Å; L129-K241 HydrophobicContact CD1-CD 3.78Å; L129-K241 HydrophobicContact CD2-CB 3.82Å; N237-K241 WeakPolarHBondContact O-CG 3.26Å; N237-K241 PolarHBondContact O-N 2.91Å; N237-K241 VanDerWaalsContact OD1-CE 3.27Å; N237-K241 WeakPolarHBondContact OD1-CE 3.48Å; L238-K241 PolarHBondContact O-N 2.99Å; L238-K241 VanDerWaalsContact O-N 3.11Å; T239-K241 VanDerWaalsContact C-N 3.34Å; T239-K241 PolarHBondContact O-N 2.92Å; K241-N244 PolarHBondContact O-N 3.47Å; K241-V245 WeakPolarHBondContact O-CG2 3.33Å; K241-V245 PolarHBondContact O-N 3.3Å; K241-V245 VanDerWaalsContact O-N 3.12Å
242	F	98.5	Very high	96.7	Very high	1 Å²	1	67.2 Å²	67.2	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-68	-42.8	179.4	-83.7	-95.8	0	0	0	112.3	L129 F132 A211 L214 I215 L218 L238 T239 N244 V245 L246	L129-F242 HydrophobicContact CD2-CD1 4.23Å; L129-F242 HydrophobicContact CD2-CD2 3.54Å; L129-F242 HydrophobicContact CD2-CE1 4.26Å; L129-F242 HydrophobicContact CD2-CE2 3.58Å; L129-F242 HydrophobicContact CD2-CG 3.88Å; L129-F242 HydrophobicContact CD2-CZ 3.96Å; L129-F242 HydrophobicContact CG-CD2 4.43Å; L129-F242 HydrophobicContact CG-CE2 4Å; L129-F242 HydrophobicContact CG-CZ 4.22Å; F132-F242 HydrophobicContact CB-CD1 4.09Å; F132-F242 HydrophobicContact CB-CE1 3.76Å; F132-F242 AromaticContact CD1-CD1 3.53Å; F132-F242 HydrophobicContact CD1-CD1 3.53Å; F132-F242 HydrophobicContact CD1-CE1 4.12Å; F132-F242 HydrophobicContact CD1-CG 4.46Å; F132-F242 HydrophobicContact CD2-CD1 4.4Å; F132-F242 HydrophobicContact CE1-CD1 4.06Å; F132-F242 WeakPolarHBondContact CE1-O 3.32Å; F132-F242 AromaticContact CG-CD1 3.73Å; F132-F242 HydrophobicContact CG-CD1 3.73Å; F132-F242 AromaticContact CG-CE1 3.9Å; F132-F242 HydrophobicContact CG-CE1 3.9Å; A211-F242 HydrophobicContact CB-CB 4.15Å; A211-F242 HydrophobicContact CB-CD1 3.98Å; A211-F242 HydrophobicContact CB-CG 4.43Å; L214-F242 HydrophobicContact CB-CE1 3.71Å; L214-F242 HydrophobicContact CB-CZ 3.95Å; L214-F242 HydrophobicContact CD1-CE1 3.85Å; L214-F242 HydrophobicContact CG-CE1 4.45Å; I215-F242 HydrophobicContact CD1-CB 3.96Å; I215-F242 HydrophobicContact CD1-CD2 4.22Å; I215-F242 HydrophobicContact CD1-CG 4.13Å; I215-F242 HydrophobicContact CG1-CB 4.26Å; I215-F242 HydrophobicContact CG1-CD2 3.59Å; I215-F242 HydrophobicContact CG1-CE2 4.02Å; I215-F242 HydrophobicContact CG1-CG 3.88Å; L218-F242 HydrophobicContact CD1-CE2 3.87Å; L218-F242 HydrophobicContact CD1-CZ 4.13Å; L238-F242 WeakPolarHBondContact O-CD2 3.45Å; L238-F242 PolarHBondContact O-N 3.35Å; L238-F242 VanDerWaalsContact O-N 3.07Å; T239-F242 PolarHBondContact O-N 2.65Å; F242-N244 VanDerWaalsContact C-N 3.33Å; F242-N244 PolarHBondContact O-N 3.21Å; F242-V245 WeakPolarHBondContact O-CB 3.46Å; F242-V245 PolarHBondContact O-N 2.8Å; F242-L246 PolarHBondContact O-N 2.83Å; F242-L246 VanDerWaalsContact O-N 3.13Å
243	T	98.3	Very high	97.1	Very high	64 Å²	64	63.3 Å²	63.3	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-59.7	-44.8	174.5	-62.4	0	0	0	0	111	T239 V245 L246 D247	T239-T243 WeakPolarHBondContact O-CB 3.36Å; T239-T243 PolarHBondContact O-N 2.9Å; T239-T243 PolarHBondContact O-OG1 3.21Å; T243-V245 VanDerWaalsContact C-N 3.3Å; T243-V245 PolarHBondContact O-N 3Å; T243-L246 WeakPolarHBondContact O-CB 3.1Å; T243-L246 PolarHBondContact O-N 3.32Å; T243-D247 WeakPolarHBondContact CG2-OD2 3.2Å; T243-D247 VanDerWaalsContact O-CG 3.3Å; T243-D247 PolarHBondContact O-N 3.16Å
244	N	98.5	Very high	97.4	Very high	92 Å²	92	57.5 Å²	57.5	49%	0.492	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-38.3	176.4	-179.9	72.9	0	0	0	112.6	K240 K241 F242 T248	K240-N244 WeakPolarHBondContact O-CB 3.19Å; K240-N244 PolarHBondContact O-N 3.41Å; K241-N244 PolarHBondContact O-N 3.47Å; F242-N244 VanDerWaalsContact C-N 3.33Å; F242-N244 PolarHBondContact O-N 3.21Å; N244-T248 WeakPolarHBondContact O-CB 2.92Å; N244-T248 VanDerWaalsContact O-CG2 3.29Å; N244-T248 WeakPolarHBondContact O-CG2 3.27Å; N244-T248 PolarHBondContact O-N 3.24Å; N244-T248 PolarHBondContact O-OG1 3Å
245	V	98.4	Very high	97.7	Very high	16 Å²	16	60.6 Å²	60.6	10%	0.097	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-46.8	173.4	169.8	0	0	0	0	110.6	L129 F132 K133 K241 F242 T243 T249	L129-V245 HydrophobicContact CD2-CG2 4.31Å; F132-V245 HydrophobicContact CD1-CB 3.98Å; F132-V245 HydrophobicContact CD1-CG1 3.62Å; F132-V245 HydrophobicContact CE1-CB 4.09Å; F132-V245 HydrophobicContact CE1-CG1 3.88Å; K133-V245 HydrophobicContact CB-CG1 3.67Å; K133-V245 HydrophobicContact CG-CG1 4.01Å; K241-V245 WeakPolarHBondContact O-CG2 3.33Å; K241-V245 PolarHBondContact O-N 3.3Å; K241-V245 VanDerWaalsContact O-N 3.12Å; F242-V245 WeakPolarHBondContact O-CB 3.46Å; F242-V245 PolarHBondContact O-N 2.8Å; T243-V245 VanDerWaalsContact C-N 3.3Å; T243-V245 PolarHBondContact O-N 3Å; V245-T249 WeakPolarHBondContact O-CB 3.48Å; V245-T249 PolarHBondContact O-N 3.32Å; V245-T249 PolarHBondContact O-OG1 3.31Å
246	L	97.8	Very high	97.9	Very high	27 Å²	27	61.9 Å²	61.9	14%	0.141	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-50.9	179.4	-173.5	67	0	0	0	111.4	F132 V136 C207 A208 F242 T243 T248 T249 Y250	F132-L246 HydrophobicContact CE1-CB 4.45Å; V136-L246 HydrophobicContact CG2-CD1 4.21Å; C207-L246 HydrophobicContact CB-CD1 3.7Å; A208-L246 HydrophobicContact CB-CD2 3.88Å; F242-L246 PolarHBondContact O-N 2.83Å; F242-L246 VanDerWaalsContact O-N 3.13Å; T243-L246 WeakPolarHBondContact O-CB 3.1Å; T243-L246 PolarHBondContact O-N 3.32Å; L246-T248 PolarHBondContact O-N 3.45Å; L246-T249 PolarHBondContact O-N 2.97Å; L246-Y250 HydrophobicContact CD1-CD2 4.36Å; L246-Y250 HydrophobicContact CD1-CG 4.28Å; L246-Y250 VanDerWaalsContact O-CB 3.29Å; L246-Y250 WeakPolarHBondContact O-CB 3.33Å; L246-Y250 PolarHBondContact O-N 3.45Å
247	D	97.4	Very high	98	Very high	115 Å²	115	57.9 Å²	57.9	62%	0.615	30%	0.304	S	S	*	.	H	α-helix	trans	-62.8	-42.3	-175.8	-67.2	-15.8	0	0	0	112.3	T243	T243-D247 WeakPolarHBondContact CG2-OD2 3.2Å; T243-D247 VanDerWaalsContact O-CG 3.3Å; T243-D247 PolarHBondContact O-N 3.16Å
248	T	97.7	Very high	98.1	Very high	79 Å²	79	55.3 Å²	55.3	49%	0.485	29%	0.288	S	S	.	.	H	α-helix	trans	-83	-25.9	-176.7	59.3	0	0	0	0	113.4	N244 L246 S252	N244-T248 WeakPolarHBondContact O-CB 2.92Å; N244-T248 VanDerWaalsContact O-CG2 3.29Å; N244-T248 WeakPolarHBondContact O-CG2 3.27Å; N244-T248 PolarHBondContact O-N 3.24Å; N244-T248 PolarHBondContact O-OG1 3Å; L246-T248 PolarHBondContact O-N 3.45Å; T248-S252 PolarHBondContact O-OG 2.83Å
249	T	98.4	Very high	98.2	Very high	14 Å²	14	56.2 Å²	56.2	9%	0.086	29%	0.293	C	S	.	.	H	α-helix	trans	-106.5	-41.5	-169.1	-51.5	0	0	0	0	113.5	K133 V136 K137 V245 L246 S252 Y253	K133-T249 HydrophobicContact CG-CG2 4.34Å; V136-T249 HydrophobicContact CG1-CG2 3.97Å; K137-T249 HydrophobicContact CD-CG2 4.37Å; K137-T249 HydrophobicContact CG-CG2 3.57Å; V245-T249 WeakPolarHBondContact O-CB 3.48Å; V245-T249 PolarHBondContact O-N 3.32Å; V245-T249 PolarHBondContact O-OG1 3.31Å; L246-T249 PolarHBondContact O-N 2.97Å; T249-S252 PolarHBondContact O-OG 3.03Å; T249-S252 VanDerWaalsContact O-OG 3.07Å; T249-Y253 WeakPolarHBondContact O-CB 3.4Å; T249-Y253 PolarHBondContact O-N 3.32Å; T249-Y253 VanDerWaalsContact O-N 3.08Å
250	Y	98.6	Very high	98.2	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-62.1	-165.1	-176.6	-88.9	0	0	0	112.7	V136 T139 A140 P200 C203 A204 L246 S252 Y253 F254	V136-Y250 HydrophobicContact CG1-CD2 4.02Å; V136-Y250 HydrophobicContact CG1-CG 4.41Å; T139-Y250 HydrophobicContact CG2-CE2 4.15Å; A140-Y250 HydrophobicContact CB-CD2 4.02Å; A140-Y250 HydrophobicContact CB-CE2 4.03Å; A140-Y250 HydrophobicContact CB-CG 4.48Å; P200-Y250 WeakPolarHBondContact O-CE1 3.33Å; P200-Y250 PolarHBondContact O-OH 2.88Å; C203-Y250 WeakPolarHBondContact CB-OH 3.39Å; A204-Y250 HydrophobicContact CB-CD1 3.71Å; A204-Y250 HydrophobicContact CB-CD2 4.48Å; A204-Y250 HydrophobicContact CB-CE1 3.48Å; A204-Y250 VanDerWaalsContact CB-CE1 3.48Å; A204-Y250 HydrophobicContact CB-CE2 4.26Å; A204-Y250 HydrophobicContact CB-CG 4.23Å; A204-Y250 PolarHBondContact N-OH 3.44Å; L246-Y250 HydrophobicContact CD1-CD2 4.36Å; L246-Y250 HydrophobicContact CD1-CG 4.28Å; L246-Y250 VanDerWaalsContact O-CB 3.29Å; L246-Y250 WeakPolarHBondContact O-CB 3.33Å; L246-Y250 PolarHBondContact O-N 3.45Å; Y250-S252 PolarHBondContact O-N 3.33Å; Y250-Y253 PolarHBondContact O-N 3.06Å; Y250-F254 WeakPolarHBondContact O-CB 3.37Å; Y250-F254 PolarHBondContact O-N 3.5Å
251	M	97.5	Very high	98.2	Very high	71 Å²	71	53.9 Å²	53.9	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-33.9	-173.9	-78.3	-52.4	-56.9	0	0	112.6	F254 K255	M251-F254 HydrophobicContact CE-CD1 3.83Å; M251-F254 HydrophobicContact CE-CE1 4.38Å; M251-K255 HydrophobicContact CE-CG 4.39Å; M251-K255 WeakPolarHBondContact O-CB 3.44Å; M251-K255 VanDerWaalsContact O-CG 3.27Å; M251-K255 WeakPolarHBondContact O-CG 3.37Å; M251-K255 PolarHBondContact O-N 2.99Å
252	S	97.4	Very high	98.2	Very high	66 Å²	66	50.7 Å²	50.7	46%	0.462	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-46.7	175.4	57.9	0	0	0	0	111	T248 T249 Y250 S256	T248-S252 PolarHBondContact O-OG 2.83Å; T249-S252 PolarHBondContact O-OG 3.03Å; T249-S252 VanDerWaalsContact O-OG 3.07Å; Y250-S252 PolarHBondContact O-N 3.33Å; S252-S256 WeakPolarHBondContact O-CB 3.36Å; S252-S256 PolarHBondContact O-N 3.26Å
253	Y	98.6	Very high	98.2	Very high	89 Å²	89	51.4 Å²	51.4	35%	0.349	27%	0.266	S	S	.	.	H	α-helix	trans	-69.6	-41.7	178.8	-162.5	-103.2	0	0	0	112.3	K137 A140 N141 T249 Y250 S256 V257	K137-Y253 HydrophobicContact CB-CD1 3.92Å; K137-Y253 HydrophobicContact CB-CE1 3.78Å; K137-Y253 HydrophobicContact CB-CG 4.4Å; K137-Y253 HydrophobicContact CD-CE2 4.45Å; K137-Y253 HydrophobicContact CG-CD1 4.17Å; K137-Y253 HydrophobicContact CG-CD2 4.25Å; K137-Y253 HydrophobicContact CG-CE1 4.29Å; K137-Y253 HydrophobicContact CG-CE2 4.41Å; K137-Y253 HydrophobicContact CG-CG 4.13Å; K137-Y253 VanDerWaalsContact O-CD1 3.31Å; K137-Y253 WeakPolarHBondContact O-CD1 3.04Å; K137-Y253 VanDerWaalsContact O-CE1 3.25Å; K137-Y253 WeakPolarHBondContact O-CE1 3.23Å; A140-Y253 HydrophobicContact CB-CD1 4.05Å; N141-Y253 HydrophobicContact CB-CE1 3.91Å; T249-Y253 WeakPolarHBondContact O-CB 3.4Å; T249-Y253 PolarHBondContact O-N 3.32Å; T249-Y253 VanDerWaalsContact O-N 3.08Å; Y250-Y253 PolarHBondContact O-N 3.06Å; Y253-S256 PolarHBondContact O-N 3.21Å; Y253-V257 HydrophobicContact CD1-CG2 4.23Å; Y253-V257 HydrophobicContact CE1-CG2 4.02Å; Y253-V257 WeakPolarHBondContact O-CG2 3.38Å; Y253-V257 PolarHBondContact O-N 3.23Å
254	F	98.7	Very high	98.2	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-55.3	-53.5	173.3	168.5	-95.6	0	0	0	111.3	A140 V143 A144 Q147 P200 Y250 M251 S256 V257 Y258	A140-F254 HydrophobicContact CB-CB 4Å; V143-F254 HydrophobicContact CG1-CD2 3.63Å; V143-F254 HydrophobicContact CG1-CE2 3.85Å; A144-F254 HydrophobicContact CB-CD2 3.71Å; A144-F254 HydrophobicContact CB-CE2 3.88Å; Q147-F254 HydrophobicContact CG-CE2 4.17Å; Q147-F254 HydrophobicContact CG-CZ 4.16Å; P200-F254 HydrophobicContact CB-CD2 4.47Å; P200-F254 HydrophobicContact CB-CE1 4.32Å; P200-F254 HydrophobicContact CB-CE2 3.99Å; P200-F254 HydrophobicContact CB-CZ 3.91Å; P200-F254 HydrophobicContact CG-CE1 4.32Å; P200-F254 HydrophobicContact CG-CE2 3.8Å; P200-F254 HydrophobicContact CG-CZ 3.57Å; Y250-F254 WeakPolarHBondContact O-CB 3.37Å; Y250-F254 PolarHBondContact O-N 3.5Å; M251-F254 HydrophobicContact CE-CD1 3.83Å; M251-F254 HydrophobicContact CE-CE1 4.38Å; F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 PolarHBondContact O-N 2.86Å; F254-V257 PolarHBondContact O-N 3.06Å; F254-Y258 WeakPolarHBondContact O-CB 3.47Å; F254-Y258 PolarHBondContact O-N 3.02Å
255	K	98	Very high	98.2	Very high	124 Å²	124	47.1 Å²	47.1	54%	0.539	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-43.3	-179	-75.8	179.9	178.8	-172.2	0	111.6	M251 Y258 L259	M251-K255 HydrophobicContact CE-CG 4.39Å; M251-K255 WeakPolarHBondContact O-CB 3.44Å; M251-K255 VanDerWaalsContact O-CG 3.27Å; M251-K255 WeakPolarHBondContact O-CG 3.37Å; M251-K255 PolarHBondContact O-N 2.99Å; K255-Y258 PolarHBondContact O-N 3.04Å; K255-L259 WeakPolarHBondContact O-CB 3.32Å; K255-L259 VanDerWaalsContact O-CG 3.27Å; K255-L259 WeakPolarHBondContact O-CG 3.38Å; K255-L259 PolarHBondContact O-N 3.39Å
256	S	98.1	Very high	98.2	Very high	67 Å²	67	46.4 Å²	46.4	47%	0.469	23%	0.233	S	C	.	.	H	α-helix	trans	-58.5	-53.2	178.2	178.7	0	0	0	0	112.1	S252 Y253 F254 Y258 L259 E260	S252-S256 WeakPolarHBondContact O-CB 3.36Å; S252-S256 PolarHBondContact O-N 3.26Å; Y253-S256 PolarHBondContact O-N 3.21Å; F254-S256 VanDerWaalsContact C-N 3.33Å; F254-S256 PolarHBondContact O-N 2.86Å; S256-Y258 VanDerWaalsContact C-N 3.35Å; S256-Y258 PolarHBondContact O-N 2.91Å; S256-L259 PolarHBondContact O-N 3.08Å; S256-E260 WeakPolarHBondContact O-CB 3.39Å; S256-E260 PolarHBondContact O-N 3.48Å
257	V	98.6	Very high	98.2	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-43.2	178.7	174.9	0	0	0	0	111.1	N141 A144 Y253 F254 E260 R261	N141-V257 HydrophobicContact CB-CG2 4.38Å; N141-V257 WeakPolarHBondContact OD1-CG1 3.49Å; A144-V257 HydrophobicContact CB-CB 3.98Å; A144-V257 HydrophobicContact CB-CG1 3.76Å; Y253-V257 HydrophobicContact CD1-CG2 4.23Å; Y253-V257 HydrophobicContact CE1-CG2 4.02Å; Y253-V257 WeakPolarHBondContact O-CG2 3.38Å; Y253-V257 PolarHBondContact O-N 3.23Å; F254-V257 PolarHBondContact O-N 3.06Å; V257-E260 PolarHBondContact O-N 3.07Å; V257-R261 HydrophobicContact CG1-CG 4.46Å; V257-R261 WeakPolarHBondContact O-CB 3.33Å; V257-R261 VanDerWaalsContact O-CG 3.25Å; V257-R261 WeakPolarHBondContact O-CG 3.28Å; V257-R261 PolarHBondContact O-N 2.94Å
258	Y	98.6	Very high	98.2	Very high	26 Å²	26	39.9 Å²	39.9	10%	0.102	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-51.9	180	176.9	-99.8	0	0	0	111.8	Q147 T148 F254 K255 S256 E260 R261 M262 I280 F284	Q147-Y258 HydrophobicContact CB-CD2 3.95Å; Q147-Y258 HydrophobicContact CB-CE2 3.75Å; T148-Y258 HydrophobicContact CG2-CD2 3.88Å; T148-Y258 HydrophobicContact CG2-CE2 4.24Å; F254-Y258 WeakPolarHBondContact O-CB 3.47Å; F254-Y258 PolarHBondContact O-N 3.02Å; K255-Y258 PolarHBondContact O-N 3.04Å; S256-Y258 VanDerWaalsContact C-N 3.35Å; S256-Y258 PolarHBondContact O-N 2.91Å; Y258-E260 VanDerWaalsContact C-N 3.34Å; Y258-E260 PolarHBondContact O-N 2.76Å; Y258-R261 PolarHBondContact O-N 3.41Å; Y258-M262 HydrophobicContact CD1-CG 4.23Å; Y258-M262 HydrophobicContact CD2-CG 4.23Å; Y258-M262 HydrophobicContact CE1-CG 3.89Å; Y258-M262 HydrophobicContact CE2-CG 3.88Å; Y258-M262 HydrophobicContact CE2-SD 4.28Å; Y258-M262 HydrophobicContact CG-CG 4.4Å; Y258-M262 WeakPolarHBondContact O-CB 3.41Å; Y258-M262 VanDerWaalsContact O-CG 3.3Å; Y258-M262 WeakPolarHBondContact O-CG 3.4Å; Y258-M262 PolarHBondContact O-N 3Å; Y258-I280 HydrophobicContact CE1-CG2 3.92Å; Y258-F284 WeakPolarHBondContact OH-CE2 3.35Å
259	L	98.4	Very high	98.1	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-40.9	178.8	-71	175.6	0	0	0	111.6	K255 S256 R261 M262 R263 D273 A277 I280	K255-L259 WeakPolarHBondContact O-CB 3.32Å; K255-L259 VanDerWaalsContact O-CG 3.27Å; K255-L259 WeakPolarHBondContact O-CG 3.38Å; K255-L259 PolarHBondContact O-N 3.39Å; S256-L259 PolarHBondContact O-N 3.08Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 3.32Å; L259-M262 PolarHBondContact O-N 3.38Å; L259-R263 WeakPolarHBondContact O-CB 3.23Å; L259-R263 WeakPolarHBondContact O-CG 3.48Å; L259-R263 PolarHBondContact O-N 2.91Å; L259-R263 PolarHBondContact O-NE 3.36Å; L259-D273 HydrophobicContact CD1-CB 4.36Å; L259-A277 HydrophobicContact CD2-CB 4.08Å; L259-I280 HydrophobicContact CD2-CD1 3.62Å
260	E	98.3	Very high	98	Very high	78 Å²	78	43.1 Å²	43.1	36%	0.364	20%	0.203	S	C	.	.	H	α-helix	trans	-57.2	-47	174.7	-170	-156.7	141.6	0	0	111.5	S256 V257 Y258 K264	S256-E260 WeakPolarHBondContact O-CB 3.39Å; S256-E260 PolarHBondContact O-N 3.48Å; V257-E260 PolarHBondContact O-N 3.07Å; Y258-E260 VanDerWaalsContact C-N 3.34Å; Y258-E260 PolarHBondContact O-N 2.76Å; E260-K264 WeakPolarHBondContact O-CG 2.85Å; E260-K264 PolarHBondContact O-N 3.33Å; E260-K264 WeakPolarHBondContact OE1-CE 3.36Å; E260-K264 IonicContact OE1-NZ 3Å; E260-K264 PolarHBondContact OE1-NZ 3.32Å
261	R	98.3	Very high	97.9	Very high	82 Å²	82	46.3 Å²	46.3	31%	0.309	22%	0.224	S	C	.	.	H	α-helix	trans	-68	-44.2	179.9	-70.3	-69.9	179.9	163.4	2.6	112	L145 T148 V257 Y258 L259 R263 K264 K265	L145-R261 HydrophobicContact CD2-CG 4.1Å; T148-R261 HydrophobicContact CG2-CB 3.44Å; T148-R261 VanDerWaalsContact CG2-CB 3.44Å; T148-R261 HydrophobicContact CG2-CG 4.25Å; V257-R261 HydrophobicContact CG1-CG 4.46Å; V257-R261 WeakPolarHBondContact O-CB 3.33Å; V257-R261 VanDerWaalsContact O-CG 3.25Å; V257-R261 WeakPolarHBondContact O-CG 3.28Å; V257-R261 PolarHBondContact O-N 2.94Å; Y258-R261 PolarHBondContact O-N 3.41Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 3.32Å; R261-R263 PolarHBondContact O-N 3.25Å; R261-K264 PolarHBondContact O-N 3.26Å; R261-K265 WeakPolarHBondContact O-CG 3.49Å; R261-K265 PolarHBondContact O-N 2.69Å
262	M	98.6	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-38.9	179	-71.4	-56.7	-57.5	0	0	112.4	T148 Y258 L259 K264 K265 L266 I280 L283 F284 F298	T148-M262 HydrophobicContact CG2-CG 4.27Å; T148-M262 HydrophobicContact CG2-SD 4.14Å; Y258-M262 HydrophobicContact CD1-CG 4.23Å; Y258-M262 HydrophobicContact CD2-CG 4.23Å; Y258-M262 HydrophobicContact CE1-CG 3.89Å; Y258-M262 HydrophobicContact CE2-CG 3.88Å; Y258-M262 HydrophobicContact CE2-SD 4.28Å; Y258-M262 HydrophobicContact CG-CG 4.4Å; Y258-M262 WeakPolarHBondContact O-CB 3.41Å; Y258-M262 VanDerWaalsContact O-CG 3.3Å; Y258-M262 WeakPolarHBondContact O-CG 3.4Å; Y258-M262 PolarHBondContact O-N 3Å; L259-M262 PolarHBondContact O-N 3.38Å; M262-K264 VanDerWaalsContact C-N 3.33Å; M262-K264 PolarHBondContact O-N 2.7Å; M262-K265 WeakPolarHBondContact O-CB 3.46Å; M262-K265 PolarHBondContact O-N 2.97Å; M262-K265 VanDerWaalsContact O-N 3.16Å; M262-K265 HydrophobicContact SD-CD 3.92Å; M262-L266 WeakPolarHBondContact O-CG 3.29Å; M262-L266 PolarHBondContact O-N 2.79Å; M262-I280 HydrophobicContact CB-CD1 3.36Å; M262-I280 HydrophobicContact CB-CG1 4Å; M262-I280 HydrophobicContact CB-CG2 4.47Å; M262-I280 HydrophobicContact CE-CG2 4.01Å; M262-I280 HydrophobicContact CG-CD1 4.18Å; M262-I280 HydrophobicContact CG-CG2 4.22Å; M262-L283 HydrophobicContact CE-CD2 4.4Å; M262-F284 HydrophobicContact CE-CE2 3.73Å; M262-F284 HydrophobicContact CE-CZ 3.67Å; M262-F284 HydrophobicContact SD-CE2 4.41Å; M262-F284 HydrophobicContact SD-CZ 4.22Å; M262-F298 HydrophobicContact CE-CE1 3.74Å; M262-F298 HydrophobicContact CE-CZ 3.74Å
263	R	98.5	Very high	97.4	Very high	17 Å²	17	47.7 Å²	47.7	6%	0.064	22%	0.224	C	C	.	.	H	α-helix	trans	-54.9	-47.5	171.2	-84.5	-175.4	-80.1	-98	5.2	112.2	L259 R261 K265 L266 G267 L268 D273 D276	L259-R263 WeakPolarHBondContact O-CB 3.23Å; L259-R263 WeakPolarHBondContact O-CG 3.48Å; L259-R263 PolarHBondContact O-N 2.91Å; L259-R263 PolarHBondContact O-NE 3.36Å; R261-R263 PolarHBondContact O-N 3.25Å; R263-K265 VanDerWaalsContact C-N 3.32Å; R263-K265 PolarHBondContact O-N 2.98Å; R263-L266 CarbonylContact O-C 3.51Å; R263-L266 VanDerWaalsContact O-C 3.3Å; R263-L266 WeakPolarHBondContact O-CA 3.23Å; R263-L266 PolarHBondContact O-N 3.49Å; R263-L266 VanDerWaalsContact O-N 3.1Å; R263-G267 PolarHBondContact O-N 2.94Å; R263-L268 HydrophobicContact CB-CB 4.07Å; R263-L268 HydrophobicContact CG-CB 4.13Å; R263-L268 HydrophobicContact CG-CD1 4.33Å; R263-L268 PolarHBondContact O-N 2.87Å; R263-D273 IonicContact CZ-OD1 3.55Å; R263-D273 IonicContact NH1-OD1 2.68Å; R263-D273 PolarHBondContact NH1-OD1 3.31Å; R263-D273 IonicContact NH2-OD1 3.01Å; R263-D273 PolarHBondContact NH2-OD1 2.93Å; R263-D276 VanDerWaalsContact CD-OD2 3.27Å; R263-D276 WeakPolarHBondContact CD-OD2 3.25Å; R263-D276 IonicContact CZ-OD2 2.68Å; R263-D276 IonicContact NE-OD2 3.89Å; R263-D276 IonicContact NH1-OD2 2.95Å; R263-D276 PolarHBondContact NH1-OD2 3.36Å
264	K	98.4	Very high	97.2	Very high	59 Å²	59	51.4 Å²	51.4	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-41	177.8	-62.9	176.6	-174.7	174.3	0	111.6	E260 R261 M262 L266 G267 L428 V432	E260-K264 WeakPolarHBondContact O-CG 2.85Å; E260-K264 PolarHBondContact O-N 3.33Å; E260-K264 WeakPolarHBondContact OE1-CE 3.36Å; E260-K264 IonicContact OE1-NZ 3Å; E260-K264 PolarHBondContact OE1-NZ 3.32Å; R261-K264 PolarHBondContact O-N 3.26Å; M262-K264 VanDerWaalsContact C-N 3.33Å; M262-K264 PolarHBondContact O-N 2.7Å; K264-L266 PolarHBondContact O-N 3.3Å; K264-G267 PolarHBondContact O-N 3.45Å; K264-L428 HydrophobicContact CB-CD1 4.06Å; K264-L428 HydrophobicContact CB-CD2 4.39Å; K264-L428 HydrophobicContact CB-CG 4.18Å; K264-L428 HydrophobicContact CD-CD1 4.38Å; K264-L428 HydrophobicContact CG-CD1 3.99Å; K264-L428 HydrophobicContact CG-CD2 4.38Å; K264-L428 HydrophobicContact CG-CG 4.45Å; K264-V432 VanDerWaalsContact C-CG2 3.47Å; K264-V432 HydrophobicContact CB-CB 4.42Å; K264-V432 HydrophobicContact CB-CG1 4.02Å; K264-V432 HydrophobicContact CB-CG2 3.79Å; K264-V432 HydrophobicContact CD-CG1 4.31Å
265	K	98.4	Very high	97.1	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-28.8	176.2	-66.6	-179	59	63.2	0	112.8	T148 R261 M262 R263 F298 M429 V432 N433	T148-K265 WeakPolarHBondContact O-CD 3.32Å; T148-K265 WeakPolarHBondContact O-CE 3.43Å; R261-K265 WeakPolarHBondContact O-CG 3.49Å; R261-K265 PolarHBondContact O-N 2.69Å; M262-K265 WeakPolarHBondContact O-CB 3.46Å; M262-K265 PolarHBondContact O-N 2.97Å; M262-K265 VanDerWaalsContact O-N 3.16Å; M262-K265 HydrophobicContact SD-CD 3.92Å; R263-K265 VanDerWaalsContact C-N 3.32Å; R263-K265 PolarHBondContact O-N 2.98Å; K265-F298 HydrophobicContact CB-CD1 3.96Å; K265-F298 HydrophobicContact CB-CE1 4.16Å; K265-F298 HydrophobicContact CD-CE1 4.44Å; K265-F298 VanDerWaalsContact CE-CE1 3.45Å; K265-F298 VanDerWaalsContact CE-CZ 3.47Å; K265-M429 WeakPolarHBondContact O-CE 3.32Å; K265-V432 HydrophobicContact CB-CG2 4.41Å; K265-V432 HydrophobicContact CG-CG2 3.91Å; K265-N433 WeakPolarHBondContact CA-OD1 3.45Å; K265-N433 WeakPolarHBondContact CB-OD1 3.49Å; K265-N433 WeakPolarHBondContact CG-OD1 3.47Å; K265-N433 PolarHBondContact NZ-OD1 3.37Å; K265-N433 PolarHBondContact O-ND2 3.24Å; K265-N433 VanDerWaalsContact O-ND2 3.07Å
266	L	98.3	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7.3	174.5	-63.3	178	0	0	0	113.3	M262 R263 K264 L268 L279 I280 L283 L301 W399 Y403	M262-L266 WeakPolarHBondContact O-CG 3.29Å; M262-L266 PolarHBondContact O-N 2.79Å; R263-L266 CarbonylContact O-C 3.51Å; R263-L266 VanDerWaalsContact O-C 3.3Å; R263-L266 WeakPolarHBondContact O-CA 3.23Å; R263-L266 PolarHBondContact O-N 3.49Å; R263-L266 VanDerWaalsContact O-N 3.1Å; K264-L266 PolarHBondContact O-N 3.3Å; L266-L268 VanDerWaalsContact C-N 3.26Å; L266-L268 HydrophobicContact CB-CD1 4.22Å; L266-L268 HydrophobicContact CB-CG 4.15Å; L266-L268 HydrophobicContact CD1-CD1 4.48Å; L266-L268 PolarHBondContact O-N 3.19Å; L266-L279 HydrophobicContact CD1-CD2 4.32Å; L266-I280 HydrophobicContact CD1-CG1 3.99Å; L266-L283 HydrophobicContact CD2-CD2 4.17Å; L266-L301 HydrophobicContact CD2-CD1 3.94Å; L266-W399 HydrophobicContact CD2-CH2 3.98Å; L266-W399 HydrophobicContact CD2-CZ2 4.26Å; L266-Y403 HydrophobicContact CB-CE2 4.16Å; L266-Y403 WeakPolarHBondContact O-CE2 3.46Å; L266-Y403 PolarHBondContact O-OH 3Å
267	G	97.6	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	28.9	179.3	0	0	0	0	0	114.1	R263 K264 R425 M429	R263-G267 PolarHBondContact O-N 2.94Å; K264-G267 PolarHBondContact O-N 3.45Å; G267-R425 WeakPolarHBondContact O-CG 3.49Å; G267-R425 PolarHBondContact O-NH1 2.63Å; G267-M429 VanDerWaalsContact CA-CG 3.43Å; G267-M429 VanDerWaalsContact N-CG 3.26Å
268	L	97.6	Very high	97	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	25%	0.249	C	C	.	.			trans	-96.4	129.2	177.2	-60.6	174.4	0	0	0	110.4	R263 L266 L279 R406 L407 D410	R263-L268 HydrophobicContact CB-CB 4.07Å; R263-L268 HydrophobicContact CG-CB 4.13Å; R263-L268 HydrophobicContact CG-CD1 4.33Å; R263-L268 PolarHBondContact O-N 2.87Å; L266-L268 VanDerWaalsContact C-N 3.26Å; L266-L268 HydrophobicContact CB-CD1 4.22Å; L266-L268 HydrophobicContact CB-CG 4.15Å; L266-L268 HydrophobicContact CD1-CD1 4.48Å; L266-L268 PolarHBondContact O-N 3.19Å; L268-L279 HydrophobicContact CD1-CD2 4.42Å; L268-R406 HydrophobicContact CD1-CG 4.02Å; L268-R406 HydrophobicContact CD2-CG 4.12Å; L268-L407 HydrophobicContact CD2-CD2 3.89Å; L268-D410 HydrophobicContact CD2-CB 4.18Å
269	F	96	Very high	97	Very high	88 Å²	88	50.4 Å²	50.4	39%	0.386	25%	0.247	S	C	.	.			trans	-97	-35.9	-177.3	-79.6	-86.2	0	0	0	112.8	D410 E424 R425 L428	F269-D410 PolarHBondContact N-OD2 2.95Å; F269-E424 HydrophobicContact CE2-CB 4.31Å; F269-E424 HydrophobicContact CZ-CB 4.19Å; F269-R425 HydrophobicContact CD2-CG 4.06Å; F269-R425 HydrophobicContact CE2-CB 4.43Å; F269-R425 HydrophobicContact CE2-CG 3.7Å; F269-L428 HydrophobicContact CD1-CD2 4.18Å; F269-L428 HydrophobicContact CD2-CD2 4.29Å; F269-L428 HydrophobicContact CE1-CD2 3.9Å; F269-L428 HydrophobicContact CE2-CB 4.49Å; F269-L428 HydrophobicContact CE2-CD2 4.02Å; F269-L428 HydrophobicContact CG-CD2 4.37Å; F269-L428 HydrophobicContact CZ-CB 4.02Å; F269-L428 HydrophobicContact CZ-CD2 3.82Å; F269-L428 HydrophobicContact CZ-CG 4.48Å
270	Y	95.6	Very high	97	Very high	73 Å²	73	49.6 Å²	49.6	29%	0.286	24%	0.242	S	C	.	.	S	Bend	trans	-110	113.6	-169.4	-55.8	-72	0	0	0	111.1	R406 D410 R413 N414	Y270-R406 PolarHBondContact O-NH2 3.06Å; Y270-D410 WeakPolarHBondContact CD2-O 3.46Å; Y270-D410 WeakPolarHBondContact CE2-O 3.27Å; Y270-D410 PolarHBondContact N-OD1 2.7Å; Y270-D410 VanDerWaalsContact N-OD1 3.11Å; Y270-R413 HydrophobicContact CD1-CB 4.33Å; Y270-R413 HydrophobicContact CD2-CB 3.53Å; Y270-R413 HydrophobicContact CD2-CG 4.36Å; Y270-R413 HydrophobicContact CE1-CB 4.32Å; Y270-R413 HydrophobicContact CE2-CB 3.52Å; Y270-R413 HydrophobicContact CG-CB 3.94Å; Y270-R413 HydrophobicContact CG-CG 4.44Å; Y270-N414 HydrophobicContact CE2-CB 4.37Å
271	P	95.8	Very high	96.9	Very high	71 Å²	71	51.1 Å²	51.1	46%	0.461	25%	0.249	S	C	.	.			trans	-59	138.4	-176	-27.5	35.9	0	0	0	114.8
272	K	95.5	Very high	96.9	Very high	76 Å²	76	51.3 Å²	51.3	33%	0.33	26%	0.256	S	S	.	.			trans	-140.1	71.7	168.2	-70.7	-64.9	-173.3	169.8	0	108.2	E274 I275 D276	K272-E274 VanDerWaalsContact C-N 3.33Å; K272-E274 PolarHBondContact O-N 3.34Å; K272-E274 VanDerWaalsContact O-N 3.09Å; K272-I275 HydrophobicContact CB-CB 4.26Å; K272-I275 HydrophobicContact CB-CD1 4.36Å; K272-I275 PolarHBondContact O-N 2.93Å; K272-D276 PolarHBondContact N-OD2 3.02Å; K272-D276 WeakPolarHBondContact O-CB 3.42Å; K272-D276 PolarHBondContact O-N 3.4Å
273	D	90.5	Very high	96.9	Very high	89 Å²	89	51.3 Å²	51.3	48%	0.476	26%	0.256	S	S	.	.	H	α-helix	trans	-50	-42.9	-161.3	-70.3	-22.5	0	0	0	115.3	L259 R263 A277	L259-D273 HydrophobicContact CD1-CB 4.36Å; R263-D273 IonicContact CZ-OD1 3.55Å; R263-D273 IonicContact NH1-OD1 2.68Å; R263-D273 PolarHBondContact NH1-OD1 3.31Å; R263-D273 IonicContact NH2-OD1 3.01Å; R263-D273 PolarHBondContact NH2-OD1 2.93Å; D273-A277 VanDerWaalsContact O-CB 3.22Å; D273-A277 WeakPolarHBondContact O-CB 3.33Å; D273-A277 PolarHBondContact O-N 2.91Å
274	E	93.5	Very high	96.9	Very high	167 Å²	167	50.5 Å²	50.5	78%	0.78	25%	0.253	S	S	*	.	H	α-helix	trans	-65.5	-51.4	177.9	-65.6	178.8	175.3	0	0	112	K272 D276 A277 D278	K272-E274 VanDerWaalsContact C-N 3.33Å; K272-E274 PolarHBondContact O-N 3.34Å; K272-E274 VanDerWaalsContact O-N 3.09Å; E274-D276 VanDerWaalsContact C-N 3.31Å; E274-D276 PolarHBondContact O-N 3.48Å; E274-A277 PolarHBondContact O-N 2.87Å; E274-D278 PolarHBondContact O-N 3.42Å; E274-D278 VanDerWaalsContact O-N 3.16Å
275	I	96.2	Very high	96.7	Very high	79 Å²	79	49.5 Å²	49.5	41%	0.405	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-39.9	179.2	-55.6	174.6	0	0	0	110.7	K272 L279	K272-I275 HydrophobicContact CB-CB 4.26Å; K272-I275 HydrophobicContact CB-CD1 4.36Å; K272-I275 PolarHBondContact O-N 2.93Å; I275-L279 VanDerWaalsContact O-CB 3.28Å; I275-L279 WeakPolarHBondContact O-CB 3.36Å; I275-L279 PolarHBondContact O-N 3.01Å
276	D	98	Very high	96.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-42.4	-179.6	-63.2	-22.6	0	0	0	110.7	R263 K272 E274 L279 I280 R406	R263-D276 VanDerWaalsContact CD-OD2 3.27Å; R263-D276 WeakPolarHBondContact CD-OD2 3.25Å; R263-D276 IonicContact CZ-OD2 2.68Å; R263-D276 IonicContact NE-OD2 3.89Å; R263-D276 IonicContact NH1-OD2 2.95Å; R263-D276 PolarHBondContact NH1-OD2 3.36Å; K272-D276 PolarHBondContact N-OD2 3.02Å; K272-D276 WeakPolarHBondContact O-CB 3.42Å; K272-D276 PolarHBondContact O-N 3.4Å; E274-D276 VanDerWaalsContact C-N 3.31Å; E274-D276 PolarHBondContact O-N 3.48Å; D276-L279 PolarHBondContact O-N 3.13Å; D276-I280 WeakPolarHBondContact O-CB 3.2Å; D276-I280 VanDerWaalsContact O-CD1 3.26Å; D276-I280 WeakPolarHBondContact O-CD1 3.47Å; D276-I280 WeakPolarHBondContact O-CG1 3.4Å; D276-I280 PolarHBondContact O-N 2.88Å; D276-R406 IonicContact OD1-CZ 2.67Å; D276-R406 IonicContact OD1-NE 3.78Å; D276-R406 PolarHBondContact OD1-NE 3.45Å; D276-R406 IonicContact OD1-NH2 2.69Å; D276-R406 PolarHBondContact OD1-NH2 3.06Å; D276-R406 IonicContact OD2-NH2 3.51Å
277	A	97.3	Very high	96.7	Very high	37 Å²	37	49.9 Å²	49.9	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-59.8	-49.3	177	0	0	0	0	0	111.4	L259 D273 E274 L279 I280 E281	L259-A277 HydrophobicContact CD2-CB 4.08Å; D273-A277 VanDerWaalsContact O-CB 3.22Å; D273-A277 WeakPolarHBondContact O-CB 3.33Å; D273-A277 PolarHBondContact O-N 2.91Å; E274-A277 PolarHBondContact O-N 2.87Å; A277-L279 VanDerWaalsContact C-N 3.35Å; A277-L279 PolarHBondContact O-N 3.38Å; A277-I280 PolarHBondContact O-N 3.24Å; A277-E281 WeakPolarHBondContact O-CB 3.39Å; A277-E281 PolarHBondContact O-N 2.97Å
278	D	97.9	Very high	96.5	Very high	99 Å²	99	51.5 Å²	51.5	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-41.7	177.8	-70.8	-12.2	0	0	0	111.8	E274 I280 N282	E274-D278 PolarHBondContact O-N 3.42Å; E274-D278 VanDerWaalsContact O-N 3.16Å; D278-I280 VanDerWaalsContact C-N 3.33Å; D278-I280 PolarHBondContact O-N 3.48Å; D278-N282 VanDerWaalsContact O-CB 3.31Å; D278-N282 WeakPolarHBondContact O-CB 3.21Å; D278-N282 VanDerWaalsContact O-CG 3.3Å; D278-N282 PolarHBondContact O-N 3.15Å; D278-N282 PolarHBondContact O-ND2 3.14Å
279	L	98.5	Very high	96.4	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-42	178.1	178.5	66.6	0	0	0	111.8	L266 L268 I275 D276 A277 L283 W399 A402 Y403 R406	L266-L279 HydrophobicContact CD1-CD2 4.32Å; L268-L279 HydrophobicContact CD1-CD2 4.42Å; I275-L279 VanDerWaalsContact O-CB 3.28Å; I275-L279 WeakPolarHBondContact O-CB 3.36Å; I275-L279 PolarHBondContact O-N 3.01Å; D276-L279 PolarHBondContact O-N 3.13Å; A277-L279 VanDerWaalsContact C-N 3.35Å; A277-L279 PolarHBondContact O-N 3.38Å; L279-L283 PolarHBondContact O-N 3.33Å; L279-W399 HydrophobicContact CD1-CZ2 4.05Å; L279-W399 HydrophobicContact CG-CZ2 4.29Å; L279-W399 PolarHBondContact O-NE1 3.37Å; L279-A402 HydrophobicContact CD1-CB 4.18Å; L279-Y403 HydrophobicContact CD2-CD2 4.17Å; L279-R406 HydrophobicContact CD2-CB 3.99Å; L279-R406 HydrophobicContact CD2-CG 3.87Å
280	I	98.4	Very high	96.5	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-71.2	-42.9	-179.8	-70.3	160.6	0	0	0	111	Y258 L259 M262 L266 D276 A277 D278 N282 L283 F284	Y258-I280 HydrophobicContact CE1-CG2 3.92Å; L259-I280 HydrophobicContact CD2-CD1 3.62Å; M262-I280 HydrophobicContact CB-CD1 3.36Å; M262-I280 HydrophobicContact CB-CG1 4Å; M262-I280 HydrophobicContact CB-CG2 4.47Å; M262-I280 HydrophobicContact CE-CG2 4.01Å; M262-I280 HydrophobicContact CG-CD1 4.18Å; M262-I280 HydrophobicContact CG-CG2 4.22Å; L266-I280 HydrophobicContact CD1-CG1 3.99Å; D276-I280 WeakPolarHBondContact O-CB 3.2Å; D276-I280 VanDerWaalsContact O-CD1 3.26Å; D276-I280 WeakPolarHBondContact O-CD1 3.47Å; D276-I280 WeakPolarHBondContact O-CG1 3.4Å; D276-I280 PolarHBondContact O-N 2.88Å; A277-I280 PolarHBondContact O-N 3.24Å; D278-I280 VanDerWaalsContact C-N 3.33Å; D278-I280 PolarHBondContact O-N 3.48Å; I280-N282 VanDerWaalsContact C-N 3.32Å; I280-N282 PolarHBondContact O-N 3Å; I280-L283 VanDerWaalsContact O-CB 3.31Å; I280-L283 WeakPolarHBondContact O-CB 3.36Å; I280-L283 PolarHBondContact O-N 3.2Å; I280-F284 HydrophobicContact CG2-CD2 3.87Å; I280-F284 HydrophobicContact CG2-CE2 3.58Å; I280-F284 WeakPolarHBondContact O-CD2 3.42Å; I280-F284 PolarHBondContact O-N 2.77Å
281	E	96.7	Very high	96.4	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-46	175.1	-174.9	178.9	161.3	0	0	110.8	A277 L283 F284 N285	A277-E281 WeakPolarHBondContact O-CB 3.39Å; A277-E281 PolarHBondContact O-N 2.97Å; E281-L283 VanDerWaalsContact C-N 3.27Å; E281-L283 PolarHBondContact O-N 3.37Å; E281-F284 PolarHBondContact O-N 3.48Å; E281-N285 WeakPolarHBondContact O-CB 3.44Å; E281-N285 VanDerWaalsContact O-CG 3.28Å; E281-N285 PolarHBondContact O-N 3.43Å; E281-N285 PolarHBondContact O-ND2 2.85Å
282	N	98	Very high	96.5	Very high	86 Å²	86	44.5 Å²	44.5	46%	0.46	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-29.5	176.6	-75.3	-52.8	0	0	0	113.2	D278 I280 T286	D278-N282 VanDerWaalsContact O-CB 3.31Å; D278-N282 WeakPolarHBondContact O-CB 3.21Å; D278-N282 VanDerWaalsContact O-CG 3.3Å; D278-N282 PolarHBondContact O-N 3.15Å; D278-N282 PolarHBondContact O-ND2 3.14Å; I280-N282 VanDerWaalsContact C-N 3.32Å; I280-N282 PolarHBondContact O-N 3Å; N282-T286 VanDerWaalsContact O-CB 3.31Å; N282-T286 WeakPolarHBondContact O-CB 3.24Å; N282-T286 PolarHBondContact O-N 3Å; N282-T286 PolarHBondContact O-OG1 3.45Å
283	L	98.6	Very high	96.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-54.8	172.5	173.2	60.9	0	0	0	109.7	M262 L266 L279 I280 E281 N285 T286 M287 T297 F298 W396 W399	M262-L283 HydrophobicContact CE-CD2 4.4Å; L266-L283 HydrophobicContact CD2-CD2 4.17Å; L279-L283 PolarHBondContact O-N 3.33Å; I280-L283 VanDerWaalsContact O-CB 3.31Å; I280-L283 WeakPolarHBondContact O-CB 3.36Å; I280-L283 PolarHBondContact O-N 3.2Å; E281-L283 VanDerWaalsContact C-N 3.27Å; E281-L283 PolarHBondContact O-N 3.37Å; L283-N285 PolarHBondContact O-N 2.96Å; L283-T286 WeakPolarHBondContact O-CA 3.43Å; L283-T286 WeakPolarHBondContact O-CB 3.44Å; L283-T286 PolarHBondContact O-N 3.41Å; L283-T286 VanDerWaalsContact O-N 3.09Å; L283-M287 HydrophobicContact CD1-CG 4.23Å; L283-M287 HydrophobicContact CD1-SD 4.05Å; L283-M287 HydrophobicContact CG-SD 3.88Å; L283-M287 VanDerWaalsContact O-CG 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.24Å; L283-M287 PolarHBondContact O-N 2.92Å; L283-T297 HydrophobicContact CD1-CG2 4.27Å; L283-F298 HydrophobicContact CD2-CE1 3.88Å; L283-F298 HydrophobicContact CD2-CZ 4.16Å; L283-W396 HydrophobicContact CD1-CH2 3.61Å; L283-W396 HydrophobicContact CD1-CZ3 3.66Å; L283-W399 HydrophobicContact CB-CZ2 3.79Å; L283-W399 HydrophobicContact CD1-CD2 4.2Å; L283-W399 HydrophobicContact CD1-CH2 4.05Å; L283-W399 HydrophobicContact CD1-CZ2 3.68Å; L283-W399 HydrophobicContact CD1-CZ3 4.46Å; L283-W399 HydrophobicContact CD2-CZ2 4.1Å; L283-W399 HydrophobicContact CG-CZ2 4.05Å; L283-W399 VanDerWaalsContact N-NE1 3.2Å
284	F	97.5	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-40.5	-178.2	-73.8	-60	0	0	0	112.5	F179 W181 Y258 M262 I280 E281 T286 M287 E288 F294 F298	F179-F284 HydrophobicContact CD1-CB 4.45Å; F179-F284 HydrophobicContact CD1-CD1 4.3Å; F179-F284 VanDerWaalsContact CD1-O 3.3Å; F179-F284 WeakPolarHBondContact CD1-O 3.1Å; F179-F284 AromaticContact CD2-CD1 3.89Å; F179-F284 HydrophobicContact CD2-CD1 3.89Å; F179-F284 HydrophobicContact CD2-CE1 4.36Å; F179-F284 HydrophobicContact CE1-CB 3.62Å; F179-F284 AromaticContact CE1-CD1 3.95Å; F179-F284 HydrophobicContact CE1-CD1 3.95Å; F179-F284 HydrophobicContact CE1-CG 4.21Å; F179-F284 WeakPolarHBondContact CE1-O 3.12Å; F179-F284 HydrophobicContact CE2-CB 4.43Å; F179-F284 AromaticContact CE2-CD1 3.45Å; F179-F284 HydrophobicContact CE2-CD1 3.45Å; F179-F284 VanDerWaalsContact CE2-CD1 3.45Å; F179-F284 HydrophobicContact CE2-CE1 4.06Å; F179-F284 HydrophobicContact CE2-CG 4.18Å; F179-F284 HydrophobicContact CG-CD1 4.27Å; F179-F284 HydrophobicContact CZ-CB 3.58Å; F179-F284 AromaticContact CZ-CD1 3.48Å; F179-F284 HydrophobicContact CZ-CD1 3.48Å; F179-F284 VanDerWaalsContact CZ-CD1 3.48Å; F179-F284 HydrophobicContact CZ-CE1 4.48Å; F179-F284 AromaticContact CZ-CG 3.79Å; F179-F284 HydrophobicContact CZ-CG 3.79Å; W181-F284 HydrophobicContact CH2-CB 3.88Å; W181-F284 HydrophobicContact CH2-CD2 4.22Å; W181-F284 HydrophobicContact CH2-CG 4.13Å; W181-F284 HydrophobicContact CZ2-CB 3.41Å; W181-F284 VanDerWaalsContact CZ2-CB 3.41Å; W181-F284 HydrophobicContact CZ2-CG 4.16Å; Y258-F284 WeakPolarHBondContact OH-CE2 3.35Å; M262-F284 HydrophobicContact CE-CE2 3.73Å; M262-F284 HydrophobicContact CE-CZ 3.67Å; M262-F284 HydrophobicContact SD-CE2 4.41Å; M262-F284 HydrophobicContact SD-CZ 4.22Å; I280-F284 HydrophobicContact CG2-CD2 3.87Å; I280-F284 HydrophobicContact CG2-CE2 3.58Å; I280-F284 WeakPolarHBondContact O-CD2 3.42Å; I280-F284 PolarHBondContact O-N 2.77Å; E281-F284 PolarHBondContact O-N 3.48Å; F284-T286 PolarHBondContact O-N 3.25Å; F284-M287 HydrophobicContact CD1-SD 3.78Å; F284-M287 HydrophobicContact CE1-SD 4.01Å; F284-M287 PolarHBondContact O-N 3.29Å; F284-M287 VanDerWaalsContact O-N 3.15Å; F284-E288 PolarHBondContact O-N 2.61Å; F284-F294 HydrophobicContact CD1-CE2 4.42Å; F284-F294 HydrophobicContact CE1-CD2 4.2Å; F284-F294 AromaticContact CE1-CE2 3.49Å; F284-F294 HydrophobicContact CE1-CE2 3.49Å; F284-F294 VanDerWaalsContact CE1-CE2 3.49Å; F284-F294 HydrophobicContact CE1-CZ 4.13Å; F284-F294 HydrophobicContact CZ-CE2 4.18Å; F284-F294 HydrophobicContact CZ-CZ 4.43Å; F284-F298 HydrophobicContact CE1-CZ 4.44Å; F284-F298 HydrophobicContact CZ-CZ 4.25Å
285	N	95.6	Very high	97	Very high	38 Å²	38	29.3 Å²	29.3	20%	0.203	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-34.4	173.2	-69.5	-18.7	0	0	0	112.2	W181 E281 L283 K289	W181-N285 PolarHBondContact NE1-OD1 3.2Å; E281-N285 WeakPolarHBondContact O-CB 3.44Å; E281-N285 VanDerWaalsContact O-CG 3.28Å; E281-N285 PolarHBondContact O-N 3.43Å; E281-N285 PolarHBondContact O-ND2 2.85Å; L283-N285 PolarHBondContact O-N 2.96Å; N285-K289 WeakPolarHBondContact O-CB 3.46Å; N285-K289 WeakPolarHBondContact O-CD 3.07Å; N285-K289 VanDerWaalsContact O-CG 3.24Å; N285-K289 WeakPolarHBondContact O-CG 3.19Å; N285-K289 PolarHBondContact O-N 2.94Å
286	T	97.9	Very high	97	Very high	16 Å²	16	26 Å²	26	10%	0.098	14%	0.136	C	C	.	.	H	α-helix	trans	-71.1	-42.8	174.1	-58.5	0	0	0	0	110.9	N282 L283 F284 E288 K289 T290 L395 W396	N282-T286 VanDerWaalsContact O-CB 3.31Å; N282-T286 WeakPolarHBondContact O-CB 3.24Å; N282-T286 PolarHBondContact O-N 3Å; N282-T286 PolarHBondContact O-OG1 3.45Å; L283-T286 WeakPolarHBondContact O-CA 3.43Å; L283-T286 WeakPolarHBondContact O-CB 3.44Å; L283-T286 PolarHBondContact O-N 3.41Å; L283-T286 VanDerWaalsContact O-N 3.09Å; F284-T286 PolarHBondContact O-N 3.25Å; T286-E288 VanDerWaalsContact C-N 3.33Å; T286-E288 PolarHBondContact O-N 3.03Å; T286-K289 PolarHBondContact O-N 2.81Å; T286-T290 HydrophobicContact CG2-CG2 4.35Å; T286-T290 WeakPolarHBondContact O-CB 3.43Å; T286-T290 VanDerWaalsContact O-CG2 3.28Å; T286-T290 WeakPolarHBondContact O-CG2 3.15Å; T286-T290 PolarHBondContact O-N 3.23Å; T286-T290 VanDerWaalsContact O-N 3.09Å; T286-T290 PolarHBondContact O-OG1 3.45Å; T286-L395 HydrophobicContact CG2-CB 4.16Å; T286-W396 HydrophobicContact CG2-CD2 3.78Å; T286-W396 HydrophobicContact CG2-CE3 4.09Å; T286-W396 HydrophobicContact CG2-CG 4.19Å; T286-W396 HydrophobicContact CG2-CH2 4.36Å; T286-W396 HydrophobicContact CG2-CZ2 4.07Å; T286-W396 HydrophobicContact CG2-CZ3 4.37Å
287	M	97.9	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-41.9	176.4	-66.9	169.2	71.6	0	0	111.9	F179 L283 F284 T290 G291 A292 F294 T297 W396	F179-M287 HydrophobicContact CB-CB 3.86Å; F179-M287 HydrophobicContact CB-CE 3.95Å; F179-M287 HydrophobicContact CD1-CB 3.81Å; F179-M287 HydrophobicContact CG-CB 4.07Å; F179-M287 HydrophobicContact CG-CE 4.38Å; L283-M287 HydrophobicContact CD1-CG 4.23Å; L283-M287 HydrophobicContact CD1-SD 4.05Å; L283-M287 HydrophobicContact CG-SD 3.88Å; L283-M287 VanDerWaalsContact O-CG 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.24Å; L283-M287 PolarHBondContact O-N 2.92Å; F284-M287 HydrophobicContact CD1-SD 3.78Å; F284-M287 HydrophobicContact CE1-SD 4.01Å; F284-M287 PolarHBondContact O-N 3.29Å; F284-M287 VanDerWaalsContact O-N 3.15Å; M287-T290 PolarHBondContact O-N 3.4Å; M287-T290 PolarHBondContact O-OG1 3.37Å; M287-G291 WeakPolarHBondContact O-CA 3.48Å; M287-G291 PolarHBondContact O-N 3.14Å; M287-A292 HydrophobicContact CB-CB 4.03Å; M287-A292 HydrophobicContact CG-CB 4.07Å; M287-A292 PolarHBondContact O-N 3.12Å; M287-F294 HydrophobicContact CE-CB 4.35Å; M287-F294 HydrophobicContact CE-CD2 4.14Å; M287-F294 HydrophobicContact CE-CG 4.41Å; M287-T297 HydrophobicContact CE-CG2 4.14Å; M287-T297 HydrophobicContact CG-CG2 4.17Å; M287-T297 HydrophobicContact SD-CG2 4.04Å; M287-W396 HydrophobicContact CG-CH2 3.79Å; M287-W396 HydrophobicContact CG-CZ2 3.92Å
288	E	94.9	Very high	97	Very high	34 Å²	34	24.2 Å²	24.2	16%	0.159	12%	0.121	C	C	.	.	H	α-helix	trans	-66	-47.2	178.8	-175.4	173.7	-115.9	0	0	111.5	F179 W181 F284 T286 T290 G291 F336	F179-E288 HydrophobicContact CD1-CB 3.85Å; F179-E288 HydrophobicContact CE1-CB 4.04Å; W181-E288 VanDerWaalsContact CD1-OE1 3.32Å; W181-E288 PolarHBondContact N-OE1 2.98Å; F284-E288 PolarHBondContact O-N 2.61Å; T286-E288 VanDerWaalsContact C-N 3.33Å; T286-E288 PolarHBondContact O-N 3.03Å; E288-T290 PolarHBondContact O-N 2.88Å; E288-G291 PolarHBondContact O-N 3.13Å; E288-F336 HydrophobicContact CG-CE1 4.42Å; E288-F336 HydrophobicContact CG-CZ 3.75Å
289	K	95.2	Very high	96.9	Very high	89 Å²	89	19.9 Å²	19.9	39%	0.387	10%	0.098	S	C	.	.	H	α-helix	trans	-64.2	-23.2	179.2	-73.5	171.5	-174.8	171.4	0	114	N285 T286 L332 L395	N285-K289 WeakPolarHBondContact O-CB 3.46Å; N285-K289 WeakPolarHBondContact O-CD 3.07Å; N285-K289 VanDerWaalsContact O-CG 3.24Å; N285-K289 WeakPolarHBondContact O-CG 3.19Å; N285-K289 PolarHBondContact O-N 2.94Å; T286-K289 PolarHBondContact O-N 2.81Å; K289-L332 WeakPolarHBondContact O-CD2 3.43Å; K289-L395 HydrophobicContact CB-CD1 4.04Å
290	T	96.4	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-109.9	-1.7	-176.9	61.2	0	0	0	0	112.8	T286 M287 E288 A292 C326 Y388 N392 L395 W396	T286-T290 HydrophobicContact CG2-CG2 4.35Å; T286-T290 WeakPolarHBondContact O-CB 3.43Å; T286-T290 VanDerWaalsContact O-CG2 3.28Å; T286-T290 WeakPolarHBondContact O-CG2 3.15Å; T286-T290 PolarHBondContact O-N 3.23Å; T286-T290 VanDerWaalsContact O-N 3.09Å; T286-T290 PolarHBondContact O-OG1 3.45Å; M287-T290 PolarHBondContact O-N 3.4Å; M287-T290 PolarHBondContact O-OG1 3.37Å; E288-T290 PolarHBondContact O-N 2.88Å; T290-A292 VanDerWaalsContact C-N 3.26Å; T290-A292 PolarHBondContact O-N 3.48Å; T290-C326 VanDerWaalsContact O-CB 3.27Å; T290-C326 WeakPolarHBondContact O-CB 3.23Å; T290-Y388 PolarHBondContact O-OH 3.15Å; T290-N392 HydrophobicContact CG2-CB 4.08Å; T290-N392 WeakPolarHBondContact CG2-OD1 3.29Å; T290-L395 HydrophobicContact CG2-CB 4.29Å; T290-L395 HydrophobicContact CG2-CD1 3.86Å; T290-W396 PolarHBondContact OG1-NE1 3.33Å
291	G	94.9	Very high	96.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	39.9	-174.7	0	0	0	0	0	113.9	Q178 M287 E288 C327	Q178-G291 VanDerWaalsContact NE2-CA 3.31Å; M287-G291 WeakPolarHBondContact O-CA 3.48Å; M287-G291 PolarHBondContact O-N 3.14Å; E288-G291 PolarHBondContact O-N 3.13Å; G291-C327 WeakPolarHBondContact O-CB 3.46Å; G291-C327 PolarHBondContact O-N 2.85Å
292	A	97	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-69.8	141	-179.2	0	0	0	0	0	112	F179 M287 T290 F294 T297 W396	F179-A292 PolarHBondContact N-O 2.92Å; M287-A292 HydrophobicContact CB-CB 4.03Å; M287-A292 HydrophobicContact CG-CB 4.07Å; M287-A292 PolarHBondContact O-N 3.12Å; T290-A292 VanDerWaalsContact C-N 3.26Å; T290-A292 PolarHBondContact O-N 3.48Å; A292-F294 PolarHBondContact O-N 3.36Å; A292-T297 WeakPolarHBondContact CB-OG1 3.48Å; A292-W396 HydrophobicContact CB-CZ2 3.94Å
293	D	96.6	Very high	96.2	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.027	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-63.7	127.8	170.1	179.2	-63.6	0	0	0	110.1	D177 T295 N296 T297 E325 R439 P491	D177-D293 CarbonylContact O-C 3.57Å; D177-D293 VanDerWaalsContact O-CA 3.3Å; D177-D293 WeakPolarHBondContact O-CA 2.94Å; D293-T295 PolarHBondContact O-N 3.32Å; D293-T295 PolarHBondContact OD1-N 3.45Å; D293-N296 HydrophobicContact CB-CB 4.02Å; D293-N296 PolarHBondContact OD1-N 2.99Å; D293-T297 VanDerWaalsContact O-CB 3.28Å; D293-T297 WeakPolarHBondContact O-CB 3.29Å; D293-T297 PolarHBondContact O-N 3.46Å; D293-T297 PolarHBondContact O-OG1 2.87Å; D293-E325 PolarHBondContact N-O 3.43Å; D293-R439 IonicContact OD1-NH2 2.68Å; D293-R439 PolarHBondContact OD1-NH2 3.46Å; D293-R439 IonicContact OD2-NH2 2.69Å; D293-R439 PolarHBondContact OD2-NH2 3.34Å; D293-P491 WeakPolarHBondContact OD2-CD 3.35Å
294	F	97.1	Very high	95.9	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-57	-50.9	-174.6	-175.9	-81.6	0	0	0	112.8	Q147 M176 D177 F179 F284 M287 A292 F298	Q147-F294 WeakPolarHBondContact O-CZ 3.02Å; M176-F294 WeakPolarHBondContact O-CB 3.18Å; D177-F294 PolarHBondContact O-N 3.28Å; F179-F294 AromaticContact CD2-CD2 3.72Å; F179-F294 HydrophobicContact CD2-CD2 3.72Å; F179-F294 HydrophobicContact CD2-CE2 4.13Å; F179-F294 HydrophobicContact CE2-CD2 4.45Å; F179-F294 HydrophobicContact CE2-CE2 4.43Å; F284-F294 HydrophobicContact CD1-CE2 4.42Å; F284-F294 HydrophobicContact CE1-CD2 4.2Å; F284-F294 AromaticContact CE1-CE2 3.49Å; F284-F294 HydrophobicContact CE1-CE2 3.49Å; F284-F294 VanDerWaalsContact CE1-CE2 3.49Å; F284-F294 HydrophobicContact CE1-CZ 4.13Å; F284-F294 HydrophobicContact CZ-CE2 4.18Å; F284-F294 HydrophobicContact CZ-CZ 4.43Å; M287-F294 HydrophobicContact CE-CB 4.35Å; M287-F294 HydrophobicContact CE-CD2 4.14Å; M287-F294 HydrophobicContact CE-CG 4.41Å; A292-F294 PolarHBondContact O-N 3.36Å; F294-F298 HydrophobicContact CD1-CE2 4.2Å; F294-F298 HydrophobicContact CE1-CD2 4.43Å; F294-F298 AromaticContact CE1-CE2 3.78Å; F294-F298 HydrophobicContact CE1-CE2 3.78Å; F294-F298 HydrophobicContact CZ-CE2 4.02Å; F294-F298 WeakPolarHBondContact O-CD2 3.35Å; F294-F298 WeakPolarHBondContact O-CE2 3.29Å
295	T	96.3	Very high	95.6	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.043	7%	0.068	C	C	.	.	H	α-helix	trans	-80.1	-44.5	-172.1	-62.1	0	0	0	0	109.6	D293 T297 F298 L299 P434 V437 R439	D293-T295 PolarHBondContact O-N 3.32Å; D293-T295 PolarHBondContact OD1-N 3.45Å; T295-T297 VanDerWaalsContact C-N 3.26Å; T295-T297 PolarHBondContact O-N 2.88Å; T295-F298 PolarHBondContact O-N 2.86Å; T295-L299 HydrophobicContact CG2-CD1 4.44Å; T295-L299 PolarHBondContact O-N 3.02Å; T295-P434 WeakPolarHBondContact CG2-O 3.43Å; T295-V437 HydrophobicContact CG2-CG1 4.5Å; T295-V437 HydrophobicContact CG2-CG2 4.36Å; T295-R439 VanDerWaalsContact OG1-CZ 3.24Å; T295-R439 PolarHBondContact OG1-NH1 3.45Å; T295-R439 PolarHBondContact OG1-NH2 3.27Å
296	N	95.8	Very high	95.3	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.043	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-27.9	-177.4	-64	-4.9	0	0	0	112.2	D293 F298 L299 A300 E325 K488	D293-N296 HydrophobicContact CB-CB 4.02Å; D293-N296 PolarHBondContact OD1-N 2.99Å; N296-F298 VanDerWaalsContact C-N 3.31Å; N296-F298 PolarHBondContact O-N 2.91Å; N296-L299 CarbonylContact O-C 3.59Å; N296-L299 PolarHBondContact O-N 2.9Å; N296-L299 VanDerWaalsContact O-N 3.14Å; N296-A300 WeakPolarHBondContact O-CB 3.14Å; N296-A300 PolarHBondContact O-N 2.86Å; N296-E325 HydrophobicContact CB-CB 4.16Å; N296-E325 HydrophobicContact CB-CG 3.85Å; N296-E325 VanDerWaalsContact CB-OE2 3.26Å; N296-E325 WeakPolarHBondContact CB-OE2 3.43Å; N296-E325 PolarHBondContact ND2-OE2 3.19Å; N296-K488 HydrophobicContact CB-CD 4.38Å
297	T	97.8	Very high	94.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-54.9	-46.4	173.6	-66.3	0	0	0	0	111.6	L283 M287 A292 D293 T295 L299 A300 L301 I322 W396	L283-T297 HydrophobicContact CD1-CG2 4.27Å; M287-T297 HydrophobicContact CE-CG2 4.14Å; M287-T297 HydrophobicContact CG-CG2 4.17Å; M287-T297 HydrophobicContact SD-CG2 4.04Å; A292-T297 WeakPolarHBondContact CB-OG1 3.48Å; D293-T297 VanDerWaalsContact O-CB 3.28Å; D293-T297 WeakPolarHBondContact O-CB 3.29Å; D293-T297 PolarHBondContact O-N 3.46Å; D293-T297 PolarHBondContact O-OG1 2.87Å; T295-T297 VanDerWaalsContact C-N 3.26Å; T295-T297 PolarHBondContact O-N 2.88Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.01Å; T297-A300 PolarHBondContact O-N 3.1Å; T297-L301 HydrophobicContact CG2-CD1 4.37Å; T297-L301 WeakPolarHBondContact O-CG 3.49Å; T297-L301 PolarHBondContact O-N 2.86Å; T297-I322 HydrophobicContact CG2-CG2 4.32Å; T297-W396 HydrophobicContact CG2-CH2 3.56Å; T297-W396 HydrophobicContact CG2-CZ2 4.21Å; T297-W396 HydrophobicContact CG2-CZ3 4.35Å
298	F	97.7	Very high	93.9	Very high	1 Å²	1	20.9 Å²	20.9	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-67.8	-33.8	178.9	-64.3	-76.4	0	0	0	112.7	M262 K265 L283 F284 F294 T295 N296 L301 E302 N433	M262-F298 HydrophobicContact CE-CE1 3.74Å; M262-F298 HydrophobicContact CE-CZ 3.74Å; K265-F298 HydrophobicContact CB-CD1 3.96Å; K265-F298 HydrophobicContact CB-CE1 4.16Å; K265-F298 HydrophobicContact CD-CE1 4.44Å; K265-F298 VanDerWaalsContact CE-CE1 3.45Å; K265-F298 VanDerWaalsContact CE-CZ 3.47Å; L283-F298 HydrophobicContact CD2-CE1 3.88Å; L283-F298 HydrophobicContact CD2-CZ 4.16Å; F284-F298 HydrophobicContact CE1-CZ 4.44Å; F284-F298 HydrophobicContact CZ-CZ 4.25Å; F294-F298 HydrophobicContact CD1-CE2 4.2Å; F294-F298 HydrophobicContact CE1-CD2 4.43Å; F294-F298 AromaticContact CE1-CE2 3.78Å; F294-F298 HydrophobicContact CE1-CE2 3.78Å; F294-F298 HydrophobicContact CZ-CE2 4.02Å; F294-F298 WeakPolarHBondContact O-CD2 3.35Å; F294-F298 WeakPolarHBondContact O-CE2 3.29Å; T295-F298 PolarHBondContact O-N 2.86Å; N296-F298 VanDerWaalsContact C-N 3.31Å; N296-F298 PolarHBondContact O-N 2.91Å; F298-L301 HydrophobicContact CD1-CD1 4.47Å; F298-L301 PolarHBondContact O-N 3.41Å; F298-E302 PolarHBondContact O-N 3.14Å; F298-N433 HydrophobicContact CB-CB 4.4Å
299	L	95.6	Very high	93.1	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-70.9	-40.4	175.4	-56.4	176.6	0	0	0	111.2	T295 N296 T297 L301 E302 D303 N433 R435 K488	T295-L299 HydrophobicContact CG2-CD1 4.44Å; T295-L299 PolarHBondContact O-N 3.02Å; N296-L299 CarbonylContact O-C 3.59Å; N296-L299 PolarHBondContact O-N 2.9Å; N296-L299 VanDerWaalsContact O-N 3.14Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.01Å; L299-L301 VanDerWaalsContact C-N 3.27Å; L299-L301 PolarHBondContact O-N 3.37Å; L299-E302 VanDerWaalsContact O-CB 3.31Å; L299-E302 WeakPolarHBondContact O-CB 3.5Å; L299-E302 PolarHBondContact O-N 2.96Å; L299-E302 VanDerWaalsContact O-N 3.11Å; L299-D303 PolarHBondContact O-N 3.21Å; L299-N433 HydrophobicContact CD2-CB 4.19Å; L299-R435 HydrophobicContact CD1-CG 4.31Å; L299-R435 HydrophobicContact CD2-CG 3.98Å; L299-K488 HydrophobicContact CB-CD 3.71Å; L299-K488 HydrophobicContact CB-CG 4.09Å; L299-K488 HydrophobicContact CD1-CD 4.5Å; L299-K488 HydrophobicContact CD1-CG 3.98Å
300	A	95.2	Very high	92.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.6	-32.4	174.2	0	0	0	0	0	112	N296 T297 D303 T304 I322 E325	N296-A300 WeakPolarHBondContact O-CB 3.14Å; N296-A300 PolarHBondContact O-N 2.86Å; T297-A300 PolarHBondContact O-N 3.1Å; A300-D303 PolarHBondContact O-N 3.28Å; A300-T304 WeakPolarHBondContact O-CB 3.45Å; A300-T304 PolarHBondContact O-N 3.48Å; A300-T304 PolarHBondContact O-OG1 3.38Å; A300-I322 HydrophobicContact CB-CB 4.45Å; A300-I322 HydrophobicContact CB-CG1 3.96Å; A300-E325 HydrophobicContact CB-CG 4.05Å
301	L	96.2	Very high	90.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-37.2	171.2	-74.3	169.6	0	0	0	112.4	L266 T297 F298 L299 L305 I322 W399 L400 M429	L266-L301 HydrophobicContact CD2-CD1 3.94Å; T297-L301 HydrophobicContact CG2-CD1 4.37Å; T297-L301 WeakPolarHBondContact O-CG 3.49Å; T297-L301 PolarHBondContact O-N 2.86Å; F298-L301 HydrophobicContact CD1-CD1 4.47Å; F298-L301 PolarHBondContact O-N 3.41Å; L299-L301 VanDerWaalsContact C-N 3.27Å; L299-L301 PolarHBondContact O-N 3.37Å; L301-L305 WeakPolarHBondContact O-CB 3.03Å; L301-L305 PolarHBondContact O-N 3.4Å; L301-I322 HydrophobicContact CD2-CD1 3.48Å; L301-I322 VanDerWaalsContact CD2-CD1 3.48Å; L301-I322 HydrophobicContact CG-CD1 4.1Å; L301-W399 HydrophobicContact CD1-CH2 3.99Å; L301-W399 HydrophobicContact CD1-CZ3 4.27Å; L301-W399 HydrophobicContact CD2-CH2 3.97Å; L301-W399 HydrophobicContact CD2-CZ3 3.49Å; L301-W399 VanDerWaalsContact CD2-CZ3 3.49Å; L301-L400 HydrophobicContact CD2-CD2 4.01Å; L301-M429 HydrophobicContact CB-CE 4Å
302	E	94.3	Very high	88.9	Confident	11 Å²	11	34.4 Å²	34.4	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-48.6	170.9	-66.7	172.1	-159.9	0	0	110.7	F298 L299 T304 L305 F306 L426 M429 Q430 N433 R435	F298-E302 PolarHBondContact O-N 3.14Å; L299-E302 VanDerWaalsContact O-CB 3.31Å; L299-E302 WeakPolarHBondContact O-CB 3.5Å; L299-E302 PolarHBondContact O-N 2.96Å; L299-E302 VanDerWaalsContact O-N 3.11Å; E302-T304 VanDerWaalsContact C-N 3.32Å; E302-T304 PolarHBondContact O-N 2.94Å; E302-L305 PolarHBondContact O-N 3.04Å; E302-F306 WeakPolarHBondContact O-CB 3.28Å; E302-F306 PolarHBondContact O-N 3.19Å; E302-L426 HydrophobicContact CB-CD2 4.35Å; E302-L426 WeakPolarHBondContact O-CD2 3.38Å; E302-M429 HydrophobicContact CB-CE 4.44Å; E302-M429 HydrophobicContact CG-CB 3.74Å; E302-M429 HydrophobicContact CG-CE 3.68Å; E302-M429 HydrophobicContact CG-SD 4.23Å; E302-Q430 WeakPolarHBondContact OE2-CG 3.47Å; E302-N433 WeakPolarHBondContact OE1-CB 3.29Å; E302-N433 PolarHBondContact OE1-ND2 3.08Å; E302-R435 IonicContact OE1-NH2 2.88Å; E302-R435 IonicContact OE2-CZ 2.91Å; E302-R435 IonicContact OE2-NE 3.32Å; E302-R435 IonicContact OE2-NH2 3.29Å; E302-R435 PolarHBondContact OE2-NH2 2.92Å
303	D	92.1	Very high	86.9	Confident	64 Å²	64	42 Å²	42	34%	0.342	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-41	-179.8	-60.7	-33	0	0	0	111.7	L299 A300 F306 Q307 L321 K488	L299-D303 PolarHBondContact O-N 3.21Å; A300-D303 PolarHBondContact O-N 3.28Å; D303-F306 WeakPolarHBondContact O-CB 3.45Å; D303-F306 PolarHBondContact O-N 3.22Å; D303-Q307 PolarHBondContact O-N 3.37Å; D303-L321 HydrophobicContact CB-CD1 3.67Å; D303-K488 WeakPolarHBondContact OD2-CE 3.34Å; D303-K488 IonicContact OD2-NZ 3.72Å; D303-K488 PolarHBondContact OD2-NZ 3.42Å
304	T	92.7	Very high	85.2	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-41.2	177.9	-49.5	0	0	0	0	111	A300 E302 F306 Q307 L317 E318	A300-T304 WeakPolarHBondContact O-CB 3.45Å; A300-T304 PolarHBondContact O-N 3.48Å; A300-T304 PolarHBondContact O-OG1 3.38Å; E302-T304 VanDerWaalsContact C-N 3.32Å; E302-T304 PolarHBondContact O-N 2.94Å; T304-F306 VanDerWaalsContact C-N 3.33Å; T304-Q307 PolarHBondContact O-N 3.33Å; T304-L317 HydrophobicContact CG2-CB 4.16Å; T304-L317 HydrophobicContact CG2-CD2 3.77Å; T304-E318 WeakPolarHBondContact CG2-O 3.47Å
305	L	91.3	Very high	84	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-69.2	-32.5	175.1	-175.1	62.8	0	0	0	111.8	L301 E302 Q307 L308 F309 L407 I422 R425 L426 M429	L301-L305 WeakPolarHBondContact O-CB 3.03Å; L301-L305 PolarHBondContact O-N 3.4Å; E302-L305 PolarHBondContact O-N 3.04Å; L305-Q307 VanDerWaalsContact C-N 3.34Å; L305-L308 HydrophobicContact CD1-CD1 4.23Å; L305-L308 WeakPolarHBondContact O-CB 3.21Å; L305-L308 PolarHBondContact O-N 3.38Å; L305-F309 PolarHBondContact O-N 3.19Å; L305-L407 HydrophobicContact CD1-CD1 4.24Å; L305-I422 HydrophobicContact CD1-CG2 4.4Å; L305-I422 HydrophobicContact CG-CG2 4.13Å; L305-R425 HydrophobicContact CD2-CB 4.06Å; L305-L426 HydrophobicContact CB-CD2 4.08Å; L305-L426 HydrophobicContact CD2-CD2 4.08Å; L305-L426 HydrophobicContact CD2-CG 4.27Å; L305-L426 HydrophobicContact CG-CD2 4.17Å; L305-L426 HydrophobicContact CG-CG 4.44Å; L305-M429 HydrophobicContact CD2-SD 3.79Å
306	F	89	Confident	83.3	Confident	100 Å²	100	53 Å²	53	44%	0.439	27%	0.273	S	S	.	.	H	α-helix	trans	-68.2	-30.6	174.9	-177.9	-105.7	0	0	0	112.8	E302 D303 T304 L308 F309 N310 L426	E302-F306 WeakPolarHBondContact O-CB 3.28Å; E302-F306 PolarHBondContact O-N 3.19Å; D303-F306 WeakPolarHBondContact O-CB 3.45Å; D303-F306 PolarHBondContact O-N 3.22Å; T304-F306 VanDerWaalsContact C-N 3.33Å; F306-L308 VanDerWaalsContact C-N 3.33Å; F306-L308 PolarHBondContact O-N 2.92Å; F306-F309 HydrophobicContact CD2-CB 4.49Å; F306-F309 HydrophobicContact CE2-CD1 4.24Å; F306-F309 VanDerWaalsContact O-CB 3.28Å; F306-F309 WeakPolarHBondContact O-CB 3.46Å; F306-F309 PolarHBondContact O-N 3.37Å; F306-F309 VanDerWaalsContact O-N 3.1Å; F306-N310 WeakPolarHBondContact CE1-ND2 3.06Å; F306-N310 WeakPolarHBondContact CZ-ND2 3.29Å; F306-N310 PolarHBondContact O-N 3.29Å; F306-N310 PolarHBondContact O-ND2 2.85Å; F306-L426 HydrophobicContact CB-CD1 4.16Å; F306-L426 HydrophobicContact CB-CD2 4.31Å; F306-L426 HydrophobicContact CD2-CD1 3.84Å
307	Q	85.7	Confident	83	Confident	70 Å²	70	52.9 Å²	52.9	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-41.3	171.9	-73.4	177.6	-28.9	0	0	111.8	D303 T304 L305 F309 N310 E311 L321	D303-Q307 PolarHBondContact O-N 3.37Å; T304-Q307 PolarHBondContact O-N 3.33Å; L305-Q307 VanDerWaalsContact C-N 3.34Å; Q307-F309 PolarHBondContact O-N 2.89Å; Q307-N310 PolarHBondContact O-N 3.06Å; Q307-N310 VanDerWaalsContact O-N 3.1Å; Q307-E311 PolarHBondContact O-N 3.07Å; Q307-L321 HydrophobicContact CG-CD1 4.45Å
308	L	80.3	Confident	82.7	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.188	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-24.5	173.1	-66.8	-174.2	0	0	0	113.7	L305 F306 S314 L317 I422	L305-L308 HydrophobicContact CD1-CD1 4.23Å; L305-L308 WeakPolarHBondContact O-CB 3.21Å; L305-L308 PolarHBondContact O-N 3.38Å; F306-L308 VanDerWaalsContact C-N 3.33Å; F306-L308 PolarHBondContact O-N 2.92Å; L308-S314 WeakPolarHBondContact CD2-O 3.47Å; L308-L317 HydrophobicContact CD1-CD2 3.31Å; L308-L317 HydrophobicContact CD1-CG 3.96Å; L308-L317 HydrophobicContact CD2-CD2 4.39Å; L308-L317 HydrophobicContact CG-CD2 3.72Å; L308-I422 HydrophobicContact CB-CD1 4.32Å
309	F	77	Confident	82.6	Confident	48 Å²	48	56.8 Å²	56.8	21%	0.211	29%	0.291	C	S	.	.	H	α-helix	trans	-72.5	-31.4	176.3	-178.3	-95.3	0	0	0	112.5	L305 F306 Q307 K419 I422	L305-F309 PolarHBondContact O-N 3.19Å; F306-F309 HydrophobicContact CD2-CB 4.49Å; F306-F309 HydrophobicContact CE2-CD1 4.24Å; F306-F309 VanDerWaalsContact O-CB 3.28Å; F306-F309 WeakPolarHBondContact O-CB 3.46Å; F306-F309 PolarHBondContact O-N 3.37Å; F306-F309 VanDerWaalsContact O-N 3.1Å; Q307-F309 PolarHBondContact O-N 2.89Å; F309-K419 HydrophobicContact CD2-CG 3.73Å; F309-K419 HydrophobicContact CE2-CB 4.38Å; F309-K419 HydrophobicContact CE2-CD 4.08Å; F309-K419 HydrophobicContact CE2-CG 3.2Å; F309-K419 WeakPolarHBondContact CE2-O 3.21Å; F309-K419 HydrophobicContact CZ-CD 4.12Å; F309-K419 HydrophobicContact CZ-CG 3.73Å; F309-I422 HydrophobicContact CB-CG2 3.78Å; F309-I422 HydrophobicContact CD2-CB 4.14Å; F309-I422 HydrophobicContact CD2-CG2 3.91Å; F309-I422 HydrophobicContact CG-CG2 4.32Å
310	N	74.1	Confident	82.6	Confident	95 Å²	95	59.3 Å²	59.3	51%	0.508	31%	0.305	S	S	.	.	H	α-helix	trans	-96.1	-32.1	-175.6	-67.1	-40.1	0	0	0	113	F306 Q307	F306-N310 WeakPolarHBondContact CE1-ND2 3.06Å; F306-N310 WeakPolarHBondContact CZ-ND2 3.29Å; F306-N310 PolarHBondContact O-N 3.29Å; F306-N310 PolarHBondContact O-ND2 2.85Å; Q307-N310 PolarHBondContact O-N 3.06Å; Q307-N310 VanDerWaalsContact O-N 3.1Å
311	E	69.6	Low	82.5	Confident	103 Å²	103	61.3 Å²	61.3	48%	0.481	32%	0.315	S	S	.	.			trans	-88	114.7	178.5	-66.1	-176.6	177.8	0	0	110.1	Q307 D313 S314	Q307-E311 PolarHBondContact O-N 3.07Å; E311-D313 PolarHBondContact O-N 2.81Å; E311-S314 WeakPolarHBondContact OE2-CB 3.27Å
312	N	56.1	Low	82.5	Confident	161 Å²	161	61.3 Å²	61.3	86%	0.861	32%	0.315	S	S	*	.	S	Bend	trans	-65.9	-18	-177.5	-76.6	-20.2	0	0	0	114.1
313	D	53.9	Low	82.6	Confident	159 Å²	159	61.5 Å²	61.5	85%	0.85	32%	0.317	S	S	*	.	S	Bend	trans	-140.3	3.3	-165	-95.8	-32.5	0	0	0	115.9	E311 D315	E311-D313 PolarHBondContact O-N 2.81Å; D313-D315 PolarHBondContact O-N 2.89Å
314	S	61.9	Low	82.8	Confident	37 Å²	37	63.3 Å²	63.3	26%	0.259	33%	0.327	S	S	.	.			trans	-78.7	100	173.8	-172	0	0	0	0	109.9	L308 E311 L316	L308-S314 WeakPolarHBondContact CD2-O 3.47Å; E311-S314 WeakPolarHBondContact OE2-CB 3.27Å; S314-L316 PolarHBondContact O-N 3.49Å; S314-L316 VanDerWaalsContact O-N 3.09Å; S314-L316 PolarHBondContact OG-O 3.4Å
315	D	70.9	Confident	82.9	Confident	124 Å²	124	64 Å²	64	66%	0.663	33%	0.33	S	S	*	.			trans	-77.6	21.5	173.5	-134.2	5.6	0	0	0	111.3	D313 K404	D313-D315 PolarHBondContact O-N 2.89Å; D315-K404 VanDerWaalsContact CG-NZ 3.31Å; D315-K404 PolarHBondContact O-NZ 3.09Å; D315-K404 IonicContact OD1-NZ 2.89Å; D315-K404 PolarHBondContact OD1-NZ 3.17Å
316	L	82.2	Confident	83.1	Confident	84 Å²	84	64.4 Å²	64.4	44%	0.44	33%	0.332	S	S	.	.	S	Bend	trans	-133.7	133.4	-179.2	-165.4	62.8	0	0	0	111.5	S314 E318	S314-L316 PolarHBondContact O-N 3.49Å; S314-L316 VanDerWaalsContact O-N 3.09Å; S314-L316 PolarHBondContact OG-O 3.4Å; L316-E318 WeakPolarHBondContact CD2-OE1 3.49Å
317	L	89.7	Confident	83.3	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	32%	0.315	C	S	.	.			trans	-83.6	113	165.8	-72.6	170.2	0	0	0	107.6	T304 L308 L400 Y403 K404	T304-L317 HydrophobicContact CG2-CB 4.16Å; T304-L317 HydrophobicContact CG2-CD2 3.77Å; L308-L317 HydrophobicContact CD1-CD2 3.31Å; L308-L317 HydrophobicContact CD1-CG 3.96Å; L308-L317 HydrophobicContact CD2-CD2 4.39Å; L308-L317 HydrophobicContact CG-CD2 3.72Å; L317-L400 HydrophobicContact CB-CB 4.08Å; L317-L400 HydrophobicContact CB-CD1 4.26Å; L317-L400 HydrophobicContact CB-CD2 4.06Å; L317-L400 HydrophobicContact CB-CG 4.37Å; L317-L400 HydrophobicContact CD1-CD2 4.09Å; L317-Y403 HydrophobicContact CD1-CD1 3.75Å; L317-Y403 HydrophobicContact CD1-CE1 4.19Å; L317-K404 HydrophobicContact CD1-CB 4.02Å
318	E	91.5	Very high	83.7	Confident	78 Å²	78	58.2 Å²	58.2	36%	0.364	31%	0.309	S	S	.	.			trans	-78.3	138.2	-179.2	-68.1	-62.3	166.3	0	0	111.9	T304 L316 D320	T304-E318 WeakPolarHBondContact CG2-O 3.47Å; L316-E318 WeakPolarHBondContact CD2-OE1 3.49Å; E318-D320 VanDerWaalsContact C-N 3.33Å; E318-D320 PolarHBondContact O-N 3.09Å
319	P	95.3	Very high	84.4	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.032	30%	0.302	C	S	.	.	S	Bend	trans	-78.9	-12.7	-177.7	34.3	-38.1	0	0	0	113.7	L321 I322 V323 K393 W396 L400	P319-L321 PolarHBondContact O-N 2.75Å; P319-I322 PolarHBondContact O-N 2.67Å; P319-V323 HydrophobicContact CB-CG2 4.16Å; P319-V323 WeakPolarHBondContact O-CG2 3.34Å; P319-V323 PolarHBondContact O-N 3.21Å; P319-K393 HydrophobicContact CG-CB 4.33Å; P319-K393 HydrophobicContact CG-CG 4.47Å; P319-W396 HydrophobicContact CB-CB 3.7Å; P319-L400 HydrophobicContact CB-CD1 4.03Å
320	D	95.1	Very high	85.1	Confident	61 Å²	61	57.7 Å²	57.7	33%	0.326	31%	0.314	S	S	.	.	H	α-helix	trans	-57.8	-43.1	-165.6	-67.9	-63.1	0	0	0	113.4	E318 I322 V323 N324 K393	E318-D320 VanDerWaalsContact C-N 3.33Å; E318-D320 PolarHBondContact O-N 3.09Å; D320-I322 VanDerWaalsContact C-N 3.26Å; D320-I322 PolarHBondContact O-N 3.5Å; D320-V323 PolarHBondContact O-N 3.45Å; D320-N324 PolarHBondContact O-N 3.01Å; D320-N324 PolarHBondContact O-ND2 3.19Å; D320-N324 PolarHBondContact O-OD1 2.79Å; D320-K393 VanDerWaalsContact OD1-CE 3.31Å; D320-K393 WeakPolarHBondContact OD1-CE 3.43Å; D320-K393 IonicContact OD1-NZ 3.69Å; D320-K393 PolarHBondContact OD1-NZ 3.45Å
321	L	93.8	Very high	85.8	Confident	42 Å²	42	54.2 Å²	54.2	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-32.2	179.8	-68	179.7	0	0	0	113	D303 Q307 P319	D303-L321 HydrophobicContact CB-CD1 3.67Å; Q307-L321 HydrophobicContact CG-CD1 4.45Å; P319-L321 PolarHBondContact O-N 2.75Å
322	I	96.2	Very high	86.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-82.9	-38.8	178.5	-52.1	173.7	0	0	0	110.2	T297 A300 L301 P319 D320 N324 E325 W396 L400	T297-I322 HydrophobicContact CG2-CG2 4.32Å; A300-I322 HydrophobicContact CB-CB 4.45Å; A300-I322 HydrophobicContact CB-CG1 3.96Å; L301-I322 HydrophobicContact CD2-CD1 3.48Å; L301-I322 VanDerWaalsContact CD2-CD1 3.48Å; L301-I322 HydrophobicContact CG-CD1 4.1Å; P319-I322 PolarHBondContact O-N 2.67Å; D320-I322 VanDerWaalsContact C-N 3.26Å; D320-I322 PolarHBondContact O-N 3.5Å; I322-N324 PolarHBondContact O-N 2.04Å; I322-E325 WeakPolarHBondContact O-CA 3.23Å; I322-E325 WeakPolarHBondContact O-CB 3.47Å; I322-E325 PolarHBondContact O-N 3.35Å; I322-W396 HydrophobicContact CB-CD2 4.21Å; I322-W396 HydrophobicContact CB-CE3 4.39Å; I322-W396 HydrophobicContact CD1-CE3 3.89Å; I322-W396 HydrophobicContact CD1-CZ3 4.13Å; I322-W396 HydrophobicContact CG2-CD2 3.53Å; I322-W396 HydrophobicContact CG2-CE3 3.72Å; I322-W396 HydrophobicContact CG2-CG 4.25Å; I322-W396 HydrophobicContact CG2-CH2 3.64Å; I322-W396 HydrophobicContact CG2-CZ2 3.44Å; I322-W396 VanDerWaalsContact CG2-CZ2 3.44Å; I322-W396 HydrophobicContact CG2-CZ3 3.78Å; I322-L400 HydrophobicContact CD1-CD1 4.11Å; I322-L400 HydrophobicContact CD1-CD2 3.91Å; I322-L400 HydrophobicContact CD1-CG 4.28Å
323	V	96.8	Very high	88.5	Confident	15 Å²	15	43.9 Å²	43.9	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-32.7	176.4	172.1	0	0	0	0	111.4	P319 D320 E325 C326 N392 K393 W396	P319-V323 HydrophobicContact CB-CG2 4.16Å; P319-V323 WeakPolarHBondContact O-CG2 3.34Å; P319-V323 PolarHBondContact O-N 3.21Å; D320-V323 PolarHBondContact O-N 3.45Å; V323-E325 PolarHBondContact O-N 3.1Å; V323-C326 WeakPolarHBondContact O-CB 3.48Å; V323-C326 PolarHBondContact O-N 3.49Å; V323-N392 HydrophobicContact CG1-CB 4.3Å; V323-N392 HydrophobicContact CG2-CB 4.33Å; V323-K393 HydrophobicContact CB-CG 4.5Å; V323-K393 HydrophobicContact CG1-CG 4.2Å; V323-K393 HydrophobicContact CG2-CG 3.96Å; V323-W396 HydrophobicContact CG2-CB 4.36Å; V323-W396 HydrophobicContact CG2-CG 4.33Å
324	N	95	Very high	90.1	Very high	103 Å²	103	39.3 Å²	39.3	55%	0.551	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.5	172.8	-69.4	-21.9	0	0	0	113.6	D320 I322	D320-N324 PolarHBondContact O-N 3.01Å; D320-N324 PolarHBondContact O-ND2 3.19Å; D320-N324 PolarHBondContact O-OD1 2.79Å; I322-N324 PolarHBondContact O-N 2.04Å
325	E	95.4	Very high	91.2	Very high	17 Å²	17	39.8 Å²	39.8	8%	0.079	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.6	176.2	-53.9	-58.4	158.4	0	0	113	D293 N296 A300 I322 V323 K488	D293-E325 PolarHBondContact N-O 3.43Å; N296-E325 HydrophobicContact CB-CB 4.16Å; N296-E325 HydrophobicContact CB-CG 3.85Å; N296-E325 VanDerWaalsContact CB-OE2 3.26Å; N296-E325 WeakPolarHBondContact CB-OE2 3.43Å; N296-E325 PolarHBondContact ND2-OE2 3.19Å; A300-E325 HydrophobicContact CB-CG 4.05Å; I322-E325 WeakPolarHBondContact O-CA 3.23Å; I322-E325 WeakPolarHBondContact O-CB 3.47Å; I322-E325 PolarHBondContact O-N 3.35Å; V323-E325 PolarHBondContact O-N 3.1Å; E325-K488 WeakPolarHBondContact OE1-CE 3.45Å; E325-K488 IonicContact OE1-NZ 2.82Å; E325-K488 PolarHBondContact OE1-NZ 2.9Å
326	C	96.1	Very high	91.9	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.054	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-77.8	144.7	172.6	-62.2	0	0	0	0	111.1	T290 V323 R490	T290-C326 VanDerWaalsContact O-CB 3.27Å; T290-C326 WeakPolarHBondContact O-CB 3.23Å; V323-C326 WeakPolarHBondContact O-CB 3.48Å; V323-C326 PolarHBondContact O-N 3.49Å; C326-R490 PolarHBondContact O-NH1 3.24Å
327	C	93.5	Very high	91.9	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.074	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-68.1	164.8	173.8	78.3	0	0	0	0	111.3	G291 Q331 Y388	G291-C327 WeakPolarHBondContact O-CB 3.46Å; G291-C327 PolarHBondContact O-N 2.85Å; C327-Q331 HydrophobicContact CB-CB 3.85Å; C327-Q331 VanDerWaalsContact CB-OE1 3.23Å; C327-Y388 WeakPolarHBondContact O-CE1 3.45Å; C327-Y388 PolarHBondContact O-OH 2.88Å
328	S	93.5	Very high	91.1	Very high	29 Å²	29	37 Å²	37	20%	0.203	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-67.7	162.7	171.7	64.8	0	0	0	0	111.5	S330 Q331 L332	S328-S330 VanDerWaalsContact C-N 3.3Å; S328-S330 PolarHBondContact O-N 3.04Å; S328-S330 PolarHBondContact OG-OG 3.05Å; S328-Q331 WeakPolarHBondContact O-CB 3.5Å; S328-Q331 PolarHBondContact O-N 3.13Å; S328-Q331 VanDerWaalsContact O-N 3.14Å; S328-Q331 VanDerWaalsContact OG-CG 3.24Å; S328-Q331 WeakPolarHBondContact OG-CG 3.35Å; S328-Q331 PolarHBondContact OG-N 3.31Å; S328-Q331 PolarHBondContact OG-OE1 2.64Å; S328-L332 PolarHBondContact O-N 2.74Å; S328-L332 VanDerWaalsContact O-N 3.08Å
329	L	94.3	Very high	89.9	Confident	7 Å²	7	37 Å²	37	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-45.2	177.1	176.8	59.1	0	0	0	111.5	Q331 L332 Q333 L380 M383 E385 Y388	L329-Q331 PolarHBondContact O-N 3.46Å; L329-L332 PolarHBondContact O-N 2.98Å; L329-L332 VanDerWaalsContact O-N 3.1Å; L329-Q333 HydrophobicContact CD1-CG 4.08Å; L329-Q333 HydrophobicContact CG-CG 4.28Å; L329-Q333 WeakPolarHBondContact O-CG 3.28Å; L329-Q333 PolarHBondContact O-N 3.46Å; L329-L380 HydrophobicContact CD1-CB 4.15Å; L329-L380 HydrophobicContact CD1-CD2 3.7Å; L329-L380 HydrophobicContact CD1-CG 4.47Å; L329-M383 HydrophobicContact CD1-CB 4.47Å; L329-M383 HydrophobicContact CD2-CB 4.07Å; L329-M383 WeakPolarHBondContact CD2-O 3.29Å; L329-E385 WeakPolarHBondContact CB-OE2 3.22Å; L329-E385 PolarHBondContact N-OE1 2.94Å; L329-E385 PolarHBondContact N-OE2 2.86Å; L329-Y388 HydrophobicContact CB-CD1 3.76Å; L329-Y388 HydrophobicContact CB-CE1 4.28Å; L329-Y388 HydrophobicContact CB-CG 3.9Å; L329-Y388 HydrophobicContact CD1-CD2 3.93Å; L329-Y388 HydrophobicContact CD1-CG 3.97Å; L329-Y388 HydrophobicContact CG-CG 4.41Å
330	S	91.6	Very high	88.1	Confident	66 Å²	66	43.1 Å²	43.1	46%	0.462	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-35.3	178.2	56.1	0	0	0	0	113.1	S328 E334	S328-S330 VanDerWaalsContact C-N 3.3Å; S328-S330 PolarHBondContact O-N 3.04Å; S328-S330 PolarHBondContact OG-OG 3.05Å; S330-E334 PolarHBondContact O-N 2.88Å; S330-E334 VanDerWaalsContact O-N 3.12Å
331	Q	89.8	Confident	86.3	Confident	23 Å²	23	45.8 Å²	45.8	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-70	-41.2	175.9	-73.5	172.1	-24.4	0	0	111.5	C327 S328 L329 T335 N493	C327-Q331 HydrophobicContact CB-CB 3.85Å; C327-Q331 VanDerWaalsContact CB-OE1 3.23Å; S328-Q331 WeakPolarHBondContact O-CB 3.5Å; S328-Q331 PolarHBondContact O-N 3.13Å; S328-Q331 VanDerWaalsContact O-N 3.14Å; S328-Q331 VanDerWaalsContact OG-CG 3.24Å; S328-Q331 WeakPolarHBondContact OG-CG 3.35Å; S328-Q331 PolarHBondContact OG-N 3.31Å; S328-Q331 PolarHBondContact OG-OE1 2.64Å; L329-Q331 PolarHBondContact O-N 3.46Å; Q331-T335 PolarHBondContact O-N 3.2Å; Q331-T335 VanDerWaalsContact O-N 3.14Å; Q331-T335 PolarHBondContact O-OG1 3.12Å; Q331-N493 PolarHBondContact NE2-OD1 3.4Å
332	L	91.6	Very high	84.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-42	177.6	-163.9	60.2	0	0	0	111.7	K289 S328 L329 T335 F336 L380 Y388	K289-L332 WeakPolarHBondContact O-CD2 3.43Å; S328-L332 PolarHBondContact O-N 2.74Å; S328-L332 VanDerWaalsContact O-N 3.08Å; L329-L332 PolarHBondContact O-N 2.98Å; L329-L332 VanDerWaalsContact O-N 3.1Å; L332-T335 WeakPolarHBondContact O-CB 3.22Å; L332-T335 PolarHBondContact O-N 3.24Å; L332-F336 HydrophobicContact CD1-CD2 3.98Å; L332-F336 HydrophobicContact CD1-CE2 3.47Å; L332-F336 VanDerWaalsContact CD1-CE2 3.47Å; L332-F336 HydrophobicContact CD1-CZ 4.5Å; L332-F336 HydrophobicContact CG-CD2 4.06Å; L332-F336 HydrophobicContact CG-CE2 3.96Å; L332-F336 WeakPolarHBondContact O-CD2 3.39Å; L332-F336 PolarHBondContact O-N 2.8Å; L332-L380 HydrophobicContact CB-CD1 4.36Å; L332-L380 HydrophobicContact CD2-CD1 3.71Å; L332-L380 HydrophobicContact CD2-CD2 3.84Å; L332-L380 HydrophobicContact CD2-CG 4.46Å; L332-L380 HydrophobicContact CG-CD1 3.68Å; L332-Y388 HydrophobicContact CD2-CE2 3.53Å
333	Q	91	Very high	82.6	Confident	47 Å²	47	50 Å²	50	22%	0.22	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-48.9	175.4	-73.5	170.7	-26.8	0	0	111.2	L329 T335 F336 E337 Y377 L380	L329-Q333 HydrophobicContact CD1-CG 4.08Å; L329-Q333 HydrophobicContact CG-CG 4.28Å; L329-Q333 WeakPolarHBondContact O-CG 3.28Å; L329-Q333 PolarHBondContact O-N 3.46Å; Q333-T335 PolarHBondContact O-N 3.27Å; Q333-F336 CarbonylContact O-C 3.5Å; Q333-F336 PolarHBondContact O-N 3.32Å; Q333-F336 VanDerWaalsContact O-N 3.13Å; Q333-E337 PolarHBondContact O-N 3.11Å; Q333-Y377 HydrophobicContact CB-CE2 4.45Å; Q333-Y377 WeakPolarHBondContact O-CE2 3.36Å; Q333-L380 HydrophobicContact CG-CB 3.96Å; Q333-L380 PolarHBondContact NE2-O 3.24Å
334	E	86.4	Confident	80.6	Confident	62 Å²	62	55.4 Å²	55.4	29%	0.29	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-34.2	177.3	-175.9	177.9	-174.9	0	0	112.2	S330 F336 R496 K497	S330-E334 PolarHBondContact O-N 2.88Å; S330-E334 VanDerWaalsContact O-N 3.12Å; E334-F336 VanDerWaalsContact C-N 3.34Å; E334-R496 IonicContact OE2-CZ 3.41Å; E334-R496 VanDerWaalsContact OE2-CZ 3.26Å; E334-R496 IonicContact OE2-NH1 3.35Å; E334-R496 PolarHBondContact OE2-NH1 3.24Å; E334-R496 IonicContact OE2-NH2 3.93Å; E334-K497 WeakPolarHBondContact OE1-CE 3.33Å; E334-K497 IonicContact OE1-NZ 3.83Å; E334-K497 PolarHBondContact OE1-NZ 3.34Å
335	T	85.7	Confident	78.7	Confident	48 Å²	48	56.4 Å²	56.4	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-37.5	178.1	-58.1	0	0	0	0	112	T180 Q331 L332 Q333	T180-T335 HydrophobicContact CG2-CG2 3.62Å; Q331-T335 PolarHBondContact O-N 3.2Å; Q331-T335 VanDerWaalsContact O-N 3.14Å; Q331-T335 PolarHBondContact O-OG1 3.12Å; L332-T335 WeakPolarHBondContact O-CB 3.22Å; L332-T335 PolarHBondContact O-N 3.24Å; Q333-T335 PolarHBondContact O-N 3.27Å
336	F	85.9	Confident	76.8	Confident	5 Å²	5	58 Å²	58	2%	0.022	30%	0.3	C	S	.	.	H	α-helix	trans	-100.1	-1.2	-177.1	-64.4	-59.6	0	0	0	114.7	T180 E288 L332 Q333 E334 P338 K373 L376 Y377 L380	T180-F336 HydrophobicContact CG2-CZ 4.44Å; E288-F336 HydrophobicContact CG-CE1 4.42Å; E288-F336 HydrophobicContact CG-CZ 3.75Å; L332-F336 HydrophobicContact CD1-CD2 3.98Å; L332-F336 HydrophobicContact CD1-CE2 3.47Å; L332-F336 VanDerWaalsContact CD1-CE2 3.47Å; L332-F336 HydrophobicContact CD1-CZ 4.5Å; L332-F336 HydrophobicContact CG-CD2 4.06Å; L332-F336 HydrophobicContact CG-CE2 3.96Å; L332-F336 WeakPolarHBondContact O-CD2 3.39Å; L332-F336 PolarHBondContact O-N 2.8Å; Q333-F336 CarbonylContact O-C 3.5Å; Q333-F336 PolarHBondContact O-N 3.32Å; Q333-F336 VanDerWaalsContact O-N 3.13Å; E334-F336 VanDerWaalsContact C-N 3.34Å; F336-P338 WeakPolarHBondContact O-CD 3.36Å; F336-K373 HydrophobicContact CB-CG 4.19Å; F336-K373 HydrophobicContact CD1-CB 4.49Å; F336-K373 HydrophobicContact CD1-CD 4.06Å; F336-K373 HydrophobicContact CD1-CG 3.72Å; F336-K373 HydrophobicContact CG-CG 4.39Å; F336-K373 WeakPolarHBondContact O-CE 3.39Å; F336-L376 HydrophobicContact CD2-CD2 3.79Å; F336-L376 HydrophobicContact CD2-CG 4.21Å; F336-L376 HydrophobicContact CE1-CD2 4.25Å; F336-L376 HydrophobicContact CE2-CD2 3.34Å; F336-L376 HydrophobicContact CE2-CG 4.23Å; F336-L376 HydrophobicContact CG-CD2 4.41Å; F336-L376 HydrophobicContact CZ-CD2 3.61Å; F336-Y377 HydrophobicContact CB-CD2 4.2Å; F336-L380 HydrophobicContact CD2-CD1 4.13Å
337	E	82.1	Confident	75	Confident	108 Å²	108	61.1 Å²	61.1	51%	0.505	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-56.1	126.5	175.1	-170.2	177	-170.4	0	0	110.1	Q333 T339 Y377	Q333-E337 PolarHBondContact O-N 3.11Å; E337-T339 PolarHBondContact O-N 3.12Å; E337-Y377 HydrophobicContact CB-CE2 3.99Å; E337-Y377 HydrophobicContact CG-CE2 4.33Å
338	P	72.1	Confident	73.2	Confident	43 Å²	43	63.6 Å²	63.6	28%	0.279	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.1	177	-23.7	33.7	0	0	0	111.7	F336 E342	F336-P338 WeakPolarHBondContact O-CD 3.36Å; P338-E342 VanDerWaalsContact CA-OE2 3.27Å; P338-E342 WeakPolarHBondContact CA-OE2 3.49Å
339	T	67.8	Low	71.5	Confident	77 Å²	77	64.7 Å²	64.7	47%	0.472	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-74	154.9	173.1	56	0	0	0	0	111.4	E337 I341 E342 L343	E337-T339 PolarHBondContact O-N 3.12Å; T339-I341 PolarHBondContact O-N 2.91Å; T339-E342 PolarHBondContact N-OE2 2.92Å; T339-E342 WeakPolarHBondContact O-CA 3.19Å; T339-E342 WeakPolarHBondContact O-CB 3.41Å; T339-E342 PolarHBondContact O-N 3.39Å; T339-E342 VanDerWaalsContact OG1-CD 3.29Å; T339-E342 WeakPolarHBondContact OG1-CG 3.34Å; T339-E342 PolarHBondContact OG1-OE2 2.68Å; T339-E342 VanDerWaalsContact OG1-OE2 3.1Å; T339-L343 PolarHBondContact O-N 3.43Å
340	N	57.5	Low	69.6	Low	133 Å²	133	74 Å²	74	71%	0.711	38%	0.378	S	S	*	.	H	α-helix	trans	-53.7	-30.6	177.9	-78.2	-37.8	0	0	0	113.9	L343 H344	N340-L343 PolarHBondContact O-N 2.74Å; N340-H344 PolarHBondContact O-N 2.8Å
341	I	55.5	Low	68	Low	118 Å²	118	79 Å²	79	61%	0.605	39%	0.392	S	S	*	.	H	α-helix	trans	-69.6	-40.9	175.8	-65	170.5	0	0	0	110.9	T339 L343 H344 R345	T339-I341 PolarHBondContact O-N 2.91Å; I341-L343 VanDerWaalsContact C-N 3.35Å; I341-H344 PolarHBondContact O-N 3.31Å; I341-R345 WeakPolarHBondContact O-CB 3.47Å; I341-R345 PolarHBondContact O-N 3.22Å
342	E	57.3	Low	66.2	Low	45 Å²	45	81.6 Å²	81.6	21%	0.21	41%	0.409	C	S	.	.	H	α-helix	trans	-64.4	-41.4	174.2	-69.8	163.7	161.2	0	0	110.5	P338 T339 H344 R345 Q346 K373	P338-E342 VanDerWaalsContact CA-OE2 3.27Å; P338-E342 WeakPolarHBondContact CA-OE2 3.49Å; T339-E342 PolarHBondContact N-OE2 2.92Å; T339-E342 WeakPolarHBondContact O-CA 3.19Å; T339-E342 WeakPolarHBondContact O-CB 3.41Å; T339-E342 PolarHBondContact O-N 3.39Å; T339-E342 VanDerWaalsContact OG1-CD 3.29Å; T339-E342 WeakPolarHBondContact OG1-CG 3.34Å; T339-E342 PolarHBondContact OG1-OE2 2.68Å; T339-E342 VanDerWaalsContact OG1-OE2 3.1Å; E342-H344 PolarHBondContact O-N 2.86Å; E342-R345 PolarHBondContact O-N 2.76Å; E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 WeakPolarHBondContact O-CG 3.17Å; E342-Q346 PolarHBondContact O-N 2.91Å; E342-K373 IonicContact OE1-NZ 2.79Å
343	L	55.8	Low	64.2	Low	84 Å²	84	84.9 Å²	84.9	44%	0.44	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-44	175.1	-162.6	78.4	0	0	0	112	T339 N340 I341 R345 Q346 L347	T339-L343 PolarHBondContact O-N 3.43Å; N340-L343 PolarHBondContact O-N 2.74Å; I341-L343 VanDerWaalsContact C-N 3.35Å; L343-R345 PolarHBondContact O-N 2.95Å; L343-Q346 WeakPolarHBondContact O-CB 3.49Å; L343-Q346 PolarHBondContact O-N 3.07Å; L343-L347 WeakPolarHBondContact O-CG 2.91Å; L343-L347 PolarHBondContact O-N 3.12Å
344	H	54.3	Low	62.1	Low	130 Å²	130	86.5 Å²	86.5	60%	0.602	45%	0.452	S	S	*	.	H	α-helix	trans	-64.5	-37.6	175.3	-101.2	-68.1	0	0	0	113	N340 I341 E342 S348	N340-H344 PolarHBondContact O-N 2.8Å; I341-H344 PolarHBondContact O-N 3.31Å; E342-H344 PolarHBondContact O-N 2.86Å; H344-S348 WeakPolarHBondContact O-CB 3.45Å; H344-S348 PolarHBondContact O-N 3.1Å; H344-S348 PolarHBondContact O-OG 3.11Å
345	R	54.7	Low	60.2	Low	123 Å²	123	93.4 Å²	93.4	46%	0.464	48%	0.476	S	S	.	.	H	α-helix	trans	-66.5	-40.6	174.8	-162.3	-173.2	-119	134.1	-4.4	110.8	I341 E342 L343 S348 A349	I341-R345 WeakPolarHBondContact O-CB 3.47Å; I341-R345 PolarHBondContact O-N 3.22Å; E342-R345 PolarHBondContact O-N 2.76Å; L343-R345 PolarHBondContact O-N 2.95Å; R345-S348 PolarHBondContact O-N 3Å; R345-A349 WeakPolarHBondContact O-CB 3.09Å; R345-A349 PolarHBondContact O-N 3.43Å
346	Q	56.7	Low	58.4	Low	51 Å²	51	97 Å²	97	24%	0.238	49%	0.489	C	S	.	.	H	α-helix	trans	-63.7	-44.6	175.1	-72.7	169.4	7.8	0	0	112.5	E342 L343 A349 R350	E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 WeakPolarHBondContact O-CG 3.17Å; E342-Q346 PolarHBondContact O-N 2.91Å; L343-Q346 WeakPolarHBondContact O-CB 3.49Å; L343-Q346 PolarHBondContact O-N 3.07Å; Q346-A349 PolarHBondContact O-N 3.33Å; Q346-R350 PolarHBondContact O-N 2.87Å
347	L	58.9	Low	56.4	Low	74 Å²	74	102 Å²	102	39%	0.387	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-46.9	175	-71.8	170	0	0	0	110.4	L343 A349 R350 F351	L343-L347 WeakPolarHBondContact O-CG 2.91Å; L343-L347 PolarHBondContact O-N 3.12Å; L347-A349 VanDerWaalsContact C-N 3.35Å; L347-A349 PolarHBondContact O-N 3.13Å; L347-R350 PolarHBondContact O-N 3.18Å; L347-R350 VanDerWaalsContact O-N 3.16Å; L347-F351 HydrophobicContact CB-CD2 4.35Å; L347-F351 HydrophobicContact CB-CE2 4.37Å; L347-F351 HydrophobicContact CD2-CE2 4.23Å; L347-F351 WeakPolarHBondContact O-CD2 3.48Å; L347-F351 PolarHBondContact O-N 3.37Å
348	S	54.7	Low	54.6	Low	63 Å²	63	101.3 Å²	101.3	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-58.6	-43.6	177.3	-58.9	0	0	0	0	112.6	H344 R345 R350 F351 T352	H344-S348 WeakPolarHBondContact O-CB 3.45Å; H344-S348 PolarHBondContact O-N 3.1Å; H344-S348 PolarHBondContact O-OG 3.11Å; R345-S348 PolarHBondContact O-N 3Å; S348-R350 PolarHBondContact O-N 3.18Å; S348-F351 PolarHBondContact O-N 3.32Å; S348-T352 WeakPolarHBondContact O-CB 3.22Å; S348-T352 PolarHBondContact O-N 3.19Å; S348-T352 PolarHBondContact O-OG1 3.35Å
349	A	57.4	Low	53.3	Low	51 Å²	51	101.9 Å²	101.9	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-38.2	176.1	0	0	0	0	0	112.6	R345 Q346 L347	R345-A349 WeakPolarHBondContact O-CB 3.09Å; R345-A349 PolarHBondContact O-N 3.43Å; Q346-A349 PolarHBondContact O-N 3.33Å; L347-A349 VanDerWaalsContact C-N 3.35Å; L347-A349 PolarHBondContact O-N 3.13Å
350	R	54.8	Low	52	Low	204 Å²	204	103 Å²	103	77%	0.77	52%	0.518	S	S	*	.	H	α-helix	trans	-69	-37.7	174.1	-74.4	-173.4	-170.6	177.7	6	113.1	Q346 L347 S348	Q346-R350 PolarHBondContact O-N 2.87Å; L347-R350 PolarHBondContact O-N 3.18Å; L347-R350 VanDerWaalsContact O-N 3.16Å; S348-R350 PolarHBondContact O-N 3.18Å
351	F	58.3	Low	51.2	Low	171 Å²	171	103.9 Å²	103.9	75%	0.75	52%	0.518	S	S	*	.	H	α-helix	trans	-81.1	-30.8	-176.1	-79.3	-65.5	0	0	0	114	L347 S348 G353	L347-F351 HydrophobicContact CB-CD2 4.35Å; L347-F351 HydrophobicContact CB-CE2 4.37Å; L347-F351 HydrophobicContact CD2-CE2 4.23Å; L347-F351 WeakPolarHBondContact O-CD2 3.48Å; L347-F351 PolarHBondContact O-N 3.37Å; S348-F351 PolarHBondContact O-N 3.32Å; F351-G353 PolarHBondContact O-N 2.67Å
352	T	51.6	Low	50.4	Low	77 Å²	77	105 Å²	105	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-79.5	-14.3	-172.2	43.6	0	0	0	0	114.4	S348 I354	S348-T352 WeakPolarHBondContact O-CB 3.22Å; S348-T352 PolarHBondContact O-N 3.19Å; S348-T352 PolarHBondContact O-OG1 3.35Å; T352-I354 HydrophobicContact CG2-CD1 4.38Å; T352-I354 PolarHBondContact O-N 2.92Å
353	G	49.4	Very low	49.6	Very low	68 Å²	68	105.8 Å²	105.8	70%	0.701	53%	0.528	S	S	*	.			trans	56.9	8.2	179.3	0	0	0	0	0	114.3	F351 R355	F351-G353 PolarHBondContact O-N 2.67Å; G353-R355 PolarHBondContact O-N 3.4Å
354	I	47.7	Very low	48.8	Very low	82 Å²	82	110.4 Å²	110.4	42%	0.421	55%	0.547	S	S	.	.			trans	-72.3	114.1	177.8	-67.2	170.5	0	0	0	105.3	T352 E356 I358	T352-I354 HydrophobicContact CG2-CD1 4.38Å; T352-I354 PolarHBondContact O-N 2.92Å; I354-E356 PolarHBondContact O-N 3.48Å; I354-I358 HydrophobicContact CG2-CB 3.8Å; I354-I358 HydrophobicContact CG2-CD1 4.21Å; I354-I358 HydrophobicContact CG2-CG1 4.49Å; I354-I358 HydrophobicContact CG2-CG2 4.13Å
355	R	46.2	Very low	48.1	Very low	207 Å²	207	110.1 Å²	110.1	78%	0.781	56%	0.555	S	S	*	*			trans	-43.9	127.9	177	-73.8	177.2	172.1	172.2	-3.2	109.4	G353 N357 I358	G353-R355 PolarHBondContact O-N 3.4Å; R355-N357 PolarHBondContact O-N 3.43Å; R355-I358 PolarHBondContact O-N 2.94Å
356	E	47.9	Very low	47.4	Very low	124 Å²	124	108.6 Å²	108.6	58%	0.579	55%	0.552	S	S	*	*	H	α-helix	trans	-37.7	-39.4	-179.2	-75.8	178.4	123.1	0	0	112.5	I354 I358 I359 D360 K371	I354-E356 PolarHBondContact O-N 3.48Å; E356-I358 VanDerWaalsContact C-N 3.31Å; E356-I358 PolarHBondContact O-N 3.36Å; E356-I358 VanDerWaalsContact O-N 3.14Å; E356-I359 PolarHBondContact O-N 2.85Å; E356-I359 VanDerWaalsContact O-N 3.11Å; E356-D360 PolarHBondContact O-N 2.86Å; E356-K371 IonicContact OE1-NZ 2.86Å; E356-K371 PolarHBondContact OE1-NZ 3.12Å
357	N	44	Very low	47.1	Very low	109 Å²	109	109 Å²	109	58%	0.583	55%	0.554	S	S	*	*	H	α-helix	trans	-55.2	-30.4	-180	-56.2	16.3	0	0	0	116.4	R355 Q361	R355-N357 PolarHBondContact O-N 3.43Å; N357-Q361 WeakPolarHBondContact O-CG 3.33Å; N357-Q361 PolarHBondContact O-N 2.71Å; N357-Q361 VanDerWaalsContact O-N 3.13Å
358	I	44.5	Very low	46.3	Very low	93 Å²	93	112.8 Å²	112.8	48%	0.477	58%	0.575	S	S	.	*	H	α-helix	trans	-79.1	-33.4	180	-65.6	176.1	0	0	0	110.8	I354 R355 E356 L362	I354-I358 HydrophobicContact CG2-CB 3.8Å; I354-I358 HydrophobicContact CG2-CD1 4.21Å; I354-I358 HydrophobicContact CG2-CG1 4.49Å; I354-I358 HydrophobicContact CG2-CG2 4.13Å; R355-I358 PolarHBondContact O-N 2.94Å; E356-I358 VanDerWaalsContact C-N 3.31Å; E356-I358 PolarHBondContact O-N 3.36Å; E356-I358 VanDerWaalsContact O-N 3.14Å; I358-L362 HydrophobicContact CG2-CD1 4.15Å; I358-L362 PolarHBondContact O-N 3.26Å
359	I	45.2	Very low	46.2	Very low	56 Å²	56	113.1 Å²	113.1	29%	0.287	57%	0.568	S	S	.	*	H	α-helix	trans	-68.1	-45	173.1	-64.1	174.8	0	0	0	108.4	E356 Q361 L362 E363	E356-I359 PolarHBondContact O-N 2.85Å; E356-I359 VanDerWaalsContact O-N 3.11Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.23Å; I359-L362 PolarHBondContact O-N 2.88Å; I359-E363 VanDerWaalsContact CG2-CD 3.48Å; I359-E363 HydrophobicContact CG2-CG 4.21Å; I359-E363 WeakPolarHBondContact CG2-OE2 3.45Å; I359-E363 WeakPolarHBondContact O-CB 3.35Å; I359-E363 VanDerWaalsContact O-CG 3.24Å; I359-E363 WeakPolarHBondContact O-CG 3.39Å; I359-E363 PolarHBondContact O-N 2.83Å
360	D	40.2	Very low	46.3	Very low	99 Å²	99	113.4 Å²	113.4	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-59	-38.3	177.2	-65.3	-30.5	0	0	0	113	E356 E363 E364	E356-D360 PolarHBondContact O-N 2.86Å; D360-E363 PolarHBondContact O-N 3.4Å; D360-E364 PolarHBondContact O-N 3.21Å
361	Q	39.2	Very low	46.9	Very low	153 Å²	153	110.3 Å²	110.3	72%	0.715	56%	0.559	S	S	*	*	H	α-helix	trans	-75.2	-29.9	178.8	-78.1	-173.9	-4.3	0	0	114.2	N357 I359 E363	N357-Q361 WeakPolarHBondContact O-CG 3.33Å; N357-Q361 PolarHBondContact O-N 2.71Å; N357-Q361 VanDerWaalsContact O-N 3.13Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.23Å; Q361-E363 VanDerWaalsContact C-N 3.27Å
362	L	39.2	Very low	47.7	Very low	140 Å²	140	109.3 Å²	109.3	73%	0.733	56%	0.557	S	S	*	*	H	α-helix	trans	-79.8	-13.9	172.6	-73.8	165.8	0	0	0	112	I358 I359	I358-L362 HydrophobicContact CG2-CD1 4.15Å; I358-L362 PolarHBondContact O-N 3.26Å; I359-L362 PolarHBondContact O-N 2.88Å
363	E	40.9	Very low	48.9	Very low	62 Å²	62	107.5 Å²	107.5	29%	0.29	54%	0.542	S	S	.	.			trans	-111.9	17.7	-171.8	-69.1	-172	160.1	0	0	115.1	I359 D360 Q361 T365 K366	I359-E363 VanDerWaalsContact CG2-CD 3.48Å; I359-E363 HydrophobicContact CG2-CG 4.21Å; I359-E363 WeakPolarHBondContact CG2-OE2 3.45Å; I359-E363 WeakPolarHBondContact O-CB 3.35Å; I359-E363 VanDerWaalsContact O-CG 3.24Å; I359-E363 WeakPolarHBondContact O-CG 3.39Å; I359-E363 PolarHBondContact O-N 2.83Å; D360-E363 PolarHBondContact O-N 3.4Å; Q361-E363 VanDerWaalsContact C-N 3.27Å; E363-T365 PolarHBondContact O-N 3.25Å; E363-K366 HydrophobicContact CB-CB 4.25Å; E363-K366 HydrophobicContact CG-CB 4.26Å; E363-K366 PolarHBondContact O-N 3.02Å
364	E	39.1	Very low	50.3	Low	182 Å²	182	106.5 Å²	106.5	85%	0.85	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-13.3	169.1	-79.9	-172	165.3	0	0	113.4	D360	D360-E364 PolarHBondContact O-N 3.21Å
365	T	39.3	Very low	52	Low	124 Å²	124	109 Å²	109	76%	0.761	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-0.2	173.3	37.1	0	0	0	0	115.6	E363	E363-T365 PolarHBondContact O-N 3.25Å
366	K	39.4	Very low	53.9	Low	91 Å²	91	100 Å²	100	40%	0.396	49%	0.494	S	S	.	.	S	Bend	trans	-123.4	86.9	179.1	-69	-164.7	174.9	-156.6	0	110.7	D191 E363	D191-K366 IonicContact OD1-NZ 3.97Å; D191-K366 PolarHBondContact OD1-NZ 2.84Å; D191-K366 IonicContact OD2-NZ 2.85Å; D191-K366 PolarHBondContact OD2-NZ 3.39Å; E363-K366 HydrophobicContact CB-CB 4.25Å; E363-K366 HydrophobicContact CG-CB 4.26Å; E363-K366 PolarHBondContact O-N 3.02Å
367	I	50.5	Low	55.8	Low	58 Å²	58	96.3 Å²	96.3	30%	0.297	48%	0.476	S	S	.	.			trans	-42.7	129.4	-176.5	-58.8	108.1	0	0	0	115.4	Q198 K369	Q198-I367 HydrophobicContact CG-CD1 3.52Å; Q198-I367 HydrophobicContact CG-CG1 4.47Å; Q198-I367 VanDerWaalsContact NE2-CG1 3.28Å; Q198-I367 VanDerWaalsContact OE1-CD1 3.26Å; I367-K369 HydrophobicContact CG2-CG 4.33Å; I367-K369 VanDerWaalsContact O-CB 3.27Å; I367-K369 WeakPolarHBondContact O-CB 3.11Å; I367-K369 WeakPolarHBondContact O-CG 3.25Å; I367-K369 PolarHBondContact O-N 3.02Å
368	L	42.1	Very low	57.9	Low	155 Å²	155	96.4 Å²	96.4	81%	0.812	47%	0.471	S	S	*	.			trans	24.5	7.4	142.3	-81.2	111.5	0	0	0	123	S370	L368-S370 PolarHBondContact O-N 3.32Å
369	K	52.6	Low	60	Low	69 Å²	69	95.8 Å²	95.8	30%	0.3	47%	0.466	S	S	.	.			trans	-93.2	46.5	-155.6	-73.3	172.2	177.3	-173.3	0	117.2	G192 S195 I367	G192-K369 PolarHBondContact O-NZ 3.04Å; S195-K369 PolarHBondContact OG-NZ 3.48Å; I367-K369 HydrophobicContact CG2-CG 4.33Å; I367-K369 VanDerWaalsContact O-CB 3.27Å; I367-K369 WeakPolarHBondContact O-CB 3.11Å; I367-K369 WeakPolarHBondContact O-CG 3.25Å; I367-K369 PolarHBondContact O-N 3.02Å
370	S	59.3	Low	62.2	Low	57 Å²	57	93.1 Å²	93.1	40%	0.399	45%	0.452	S	S	.	.	S	Bend	trans	-142.4	-48.3	168.9	68.4	0	0	0	0	115.4	L368 E372 E374	L368-S370 PolarHBondContact O-N 3.32Å; S370-E372 PolarHBondContact O-N 2.88Å; S370-E374 WeakPolarHBondContact O-CB 3.16Å; S370-E374 PolarHBondContact O-N 3.13Å
371	K	67.8	Low	64.5	Low	139 Å²	139	93.3 Å²	93.3	60%	0.604	45%	0.45	S	S	*	.	H	α-helix	trans	-65	-42.8	-169.4	-68.3	-177.3	177.1	176.6	0	113.5	E356 K375	E356-K371 IonicContact OE1-NZ 2.86Å; E356-K371 PolarHBondContact OE1-NZ 3.12Å; K371-K375 WeakPolarHBondContact O-CB 3.25Å; K371-K375 PolarHBondContact O-N 3.21Å
372	E	75.3	Confident	66.9	Low	151 Å²	151	93.4 Å²	93.4	71%	0.706	45%	0.45	S	S	*	.	H	α-helix	trans	-74.2	-42.9	-178.7	-65.3	-172.7	153.3	0	0	112.9	S370 K375 L376	S370-E372 PolarHBondContact O-N 2.88Å; E372-K375 WeakPolarHBondContact O-CB 3.41Å; E372-K375 PolarHBondContact O-N 2.86Å; E372-L376 WeakPolarHBondContact O-CB 3.4Å; E372-L376 PolarHBondContact O-N 3.23Å
373	K	77.4	Confident	69.5	Low	39 Å²	39	88.8 Å²	88.8	17%	0.17	43%	0.425	C	S	.	.	H	α-helix	trans	-59.2	-46.3	173.4	173.5	166.7	-176.9	-166.4	0	111.3	D182 F336 E342 K375 L376 Y377	D182-K373 IonicContact OD2-NZ 3.26Å; F336-K373 HydrophobicContact CB-CG 4.19Å; F336-K373 HydrophobicContact CD1-CB 4.49Å; F336-K373 HydrophobicContact CD1-CD 4.06Å; F336-K373 HydrophobicContact CD1-CG 3.72Å; F336-K373 HydrophobicContact CG-CG 4.39Å; F336-K373 WeakPolarHBondContact O-CE 3.39Å; E342-K373 IonicContact OE1-NZ 2.79Å; K373-K375 PolarHBondContact O-N 3.27Å; K373-L376 PolarHBondContact O-N 2.86Å; K373-Y377 WeakPolarHBondContact O-CB 3.47Å; K373-Y377 PolarHBondContact O-N 2.68Å
374	E	77.8	Confident	72.1	Confident	46 Å²	46	89.3 Å²	89.3	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-62.7	-42.5	176.3	-176.3	-176.2	168.6	0	0	111.6	S370 Y377 K378	S370-E374 WeakPolarHBondContact O-CB 3.16Å; S370-E374 PolarHBondContact O-N 3.13Å; E374-Y377 PolarHBondContact O-N 3.01Å; E374-K378 HydrophobicContact CG-CD 4.35Å; E374-K378 WeakPolarHBondContact O-CG 3.38Å; E374-K378 PolarHBondContact O-N 3.13Å; E374-K378 WeakPolarHBondContact OE1-CE 2.94Å; E374-K378 IonicContact OE1-NZ 3.7Å; E374-K378 PolarHBondContact OE1-NZ 3.2Å
375	K	83.7	Confident	74.8	Confident	135 Å²	135	84.1 Å²	84.1	59%	0.587	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-47	175.7	-177	-177.3	176.1	-175.7	0	111.1	K371 E372 K373 K378 E379	K371-K375 WeakPolarHBondContact O-CB 3.25Å; K371-K375 PolarHBondContact O-N 3.21Å; E372-K375 WeakPolarHBondContact O-CB 3.41Å; E372-K375 PolarHBondContact O-N 2.86Å; K373-K375 PolarHBondContact O-N 3.27Å; K375-K378 PolarHBondContact O-N 3.44Å; K375-E379 WeakPolarHBondContact CE-OE1 3.35Å; K375-E379 WeakPolarHBondContact O-CG 3.42Å; K375-E379 PolarHBondContact O-N 3.11Å
376	L	85.7	Confident	77.5	Confident	17 Å²	17	85.8 Å²	85.8	9%	0.089	41%	0.408	C	S	.	.	H	α-helix	trans	-63.6	-43.6	178.1	-177.4	57.7	0	0	0	111.2	F336 E372 K373 K378 E379 L380	F336-L376 HydrophobicContact CD2-CD2 3.79Å; F336-L376 HydrophobicContact CD2-CG 4.21Å; F336-L376 HydrophobicContact CE1-CD2 4.25Å; F336-L376 HydrophobicContact CE2-CD2 3.34Å; F336-L376 HydrophobicContact CE2-CG 4.23Å; F336-L376 HydrophobicContact CG-CD2 4.41Å; F336-L376 HydrophobicContact CZ-CD2 3.61Å; E372-L376 WeakPolarHBondContact O-CB 3.4Å; E372-L376 PolarHBondContact O-N 3.23Å; K373-L376 PolarHBondContact O-N 2.86Å; L376-K378 PolarHBondContact O-N 3.14Å; L376-E379 WeakPolarHBondContact O-CB 3.12Å; L376-E379 PolarHBondContact O-N 3.27Å; L376-L380 HydrophobicContact CD1-CD1 4.17Å; L376-L380 HydrophobicContact CD1-CG 4.26Å; L376-L380 HydrophobicContact CG-CD1 3.94Å; L376-L380 HydrophobicContact CG-CG 4.47Å; L376-L380 WeakPolarHBondContact O-CG 3.41Å; L376-L380 PolarHBondContact O-N 2.89Å
377	Y	88.4	Confident	80.2	Confident	48 Å²	48	86.3 Å²	86.3	19%	0.188	41%	0.412	C	S	.	.	H	α-helix	trans	-58.9	-47	176.5	-177.8	-101	0	0	0	112	Q333 F336 E337 K373 E374 E379 L380 E381	Q333-Y377 HydrophobicContact CB-CE2 4.45Å; Q333-Y377 WeakPolarHBondContact O-CE2 3.36Å; F336-Y377 HydrophobicContact CB-CD2 4.2Å; E337-Y377 HydrophobicContact CB-CE2 3.99Å; E337-Y377 HydrophobicContact CG-CE2 4.33Å; K373-Y377 WeakPolarHBondContact O-CB 3.47Å; K373-Y377 PolarHBondContact O-N 2.68Å; E374-Y377 PolarHBondContact O-N 3.01Å; Y377-E379 VanDerWaalsContact C-N 3.33Å; Y377-E379 PolarHBondContact O-N 3.38Å; Y377-L380 CarbonylContact O-C 3.54Å; Y377-L380 PolarHBondContact O-N 2.72Å; Y377-E381 PolarHBondContact O-N 2.83Å
378	K	87.8	Confident	82.4	Confident	110 Å²	110	83.7 Å²	83.7	48%	0.478	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-37.6	176.3	-73.1	177	-176.3	170.2	0	113.2	E374 K375 L376 L380	E374-K378 HydrophobicContact CG-CD 4.35Å; E374-K378 WeakPolarHBondContact O-CG 3.38Å; E374-K378 PolarHBondContact O-N 3.13Å; E374-K378 WeakPolarHBondContact OE1-CE 2.94Å; E374-K378 IonicContact OE1-NZ 3.7Å; E374-K378 PolarHBondContact OE1-NZ 3.2Å; K375-K378 PolarHBondContact O-N 3.44Å; L376-K378 PolarHBondContact O-N 3.14Å; K378-L380 VanDerWaalsContact C-N 3.27Å; K378-L380 PolarHBondContact O-N 2.76Å
379	E	88.9	Confident	85	Confident	81 Å²	81	80.8 Å²	80.8	38%	0.379	38%	0.38	S	S	.	.	H	α-helix	trans	-64.1	-34.5	173.3	-74.2	176.2	-162.3	0	0	111.8	K375 L376 Y377 R391	K375-E379 WeakPolarHBondContact CE-OE1 3.35Å; K375-E379 WeakPolarHBondContact O-CG 3.42Å; K375-E379 PolarHBondContact O-N 3.11Å; L376-E379 WeakPolarHBondContact O-CB 3.12Å; L376-E379 PolarHBondContact O-N 3.27Å; Y377-E379 VanDerWaalsContact C-N 3.33Å; Y377-E379 PolarHBondContact O-N 3.38Å; E379-R391 IonicContact OE2-CZ 3.78Å; E379-R391 IonicContact OE2-NH2 2.83Å; E379-R391 PolarHBondContact OE2-NH2 3.12Å
380	L	91	Very high	87.1	Confident	0 Å²	0	85.3 Å²	85.3	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-82.2	-29.9	-178.3	-66.5	169.5	0	0	0	113.1	L329 L332 Q333 F336 L376 Y377 K378 H382 M383 Y388	L329-L380 HydrophobicContact CD1-CB 4.15Å; L329-L380 HydrophobicContact CD1-CD2 3.7Å; L329-L380 HydrophobicContact CD1-CG 4.47Å; L332-L380 HydrophobicContact CB-CD1 4.36Å; L332-L380 HydrophobicContact CD2-CD1 3.71Å; L332-L380 HydrophobicContact CD2-CD2 3.84Å; L332-L380 HydrophobicContact CD2-CG 4.46Å; L332-L380 HydrophobicContact CG-CD1 3.68Å; Q333-L380 HydrophobicContact CG-CB 3.96Å; Q333-L380 PolarHBondContact NE2-O 3.24Å; F336-L380 HydrophobicContact CD2-CD1 4.13Å; L376-L380 HydrophobicContact CD1-CD1 4.17Å; L376-L380 HydrophobicContact CD1-CG 4.26Å; L376-L380 HydrophobicContact CG-CD1 3.94Å; L376-L380 HydrophobicContact CG-CG 4.47Å; L376-L380 WeakPolarHBondContact O-CG 3.41Å; L376-L380 PolarHBondContact O-N 2.89Å; Y377-L380 CarbonylContact O-C 3.54Å; Y377-L380 PolarHBondContact O-N 2.72Å; K378-L380 VanDerWaalsContact C-N 3.27Å; K378-L380 PolarHBondContact O-N 2.76Å; L380-H382 VanDerWaalsContact C-N 3.26Å; L380-H382 PolarHBondContact O-N 3.15Å; L380-M383 PolarHBondContact O-N 3.29Å; L380-Y388 HydrophobicContact CD2-CD2 4.27Å; L380-Y388 HydrophobicContact CD2-CE2 4.48Å
381	E	89.3	Confident	88.9	Confident	102 Å²	102	84.7 Å²	84.7	48%	0.477	39%	0.389	S	S	.	.	H	α-helix	trans	-58.3	-35.1	-175.2	-174.9	174.5	-157.9	0	0	113.2	Y377	Y377-E381 PolarHBondContact O-N 2.83Å
382	H	88.7	Confident	90.4	Very high	156 Å²	156	78.1 Å²	78.1	72%	0.722	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	8	-177.2	-59.1	-46.4	0	0	0	114.2	L380	L380-H382 VanDerWaalsContact C-N 3.26Å; L380-H382 PolarHBondContact O-N 3.15Å
383	M	93.8	Very high	91.4	Very high	42 Å²	42	75.1 Å²	75.1	21%	0.207	35%	0.345	C	S	.	.			trans	-91.7	145.8	-175.5	-161	166.5	-67.7	0	0	111.1	L329 L380 E387 Y388	L329-M383 HydrophobicContact CD1-CB 4.47Å; L329-M383 HydrophobicContact CD2-CB 4.07Å; L329-M383 WeakPolarHBondContact CD2-O 3.29Å; L380-M383 PolarHBondContact O-N 3.29Å; M383-E387 HydrophobicContact CG-CB 3.62Å; M383-E387 HydrophobicContact SD-CB 4.45Å; M383-Y388 WeakPolarHBondContact SD-CA 3.46Å; M383-Y388 HydrophobicContact SD-CD2 4.32Å
384	T	95.5	Very high	92.4	Very high	73 Å²	73	82 Å²	82	45%	0.448	37%	0.37	S	S	.	.			trans	-87.7	159.6	165.8	60.8	0	0	0	0	111.1	E386 E387 Y388	T384-E386 PolarHBondContact O-N 3.42Å; T384-E387 PolarHBondContact N-OE2 2.88Å; T384-E387 PolarHBondContact O-N 2.88Å; T384-E387 WeakPolarHBondContact OG1-CB 3.22Å; T384-E387 VanDerWaalsContact OG1-CD 3.24Å; T384-E387 WeakPolarHBondContact OG1-CG 3.49Å; T384-E387 PolarHBondContact OG1-N 3.05Å; T384-E387 PolarHBondContact OG1-OE2 3.18Å; T384-Y388 WeakPolarHBondContact O-CB 3.37Å; T384-Y388 PolarHBondContact O-N 2.7Å
385	E	95.8	Very high	93.4	Very high	74 Å²	74	81.6 Å²	81.6	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-58.7	-35.5	176.6	-170.1	69.9	-144.2	0	0	111.7	L329 Y388 Q389	L329-E385 WeakPolarHBondContact CB-OE2 3.22Å; L329-E385 PolarHBondContact N-OE1 2.94Å; L329-E385 PolarHBondContact N-OE2 2.86Å; E385-Y388 PolarHBondContact O-N 3.41Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.19Å; E385-Q389 PolarHBondContact O-N 2.79Å
386	E	95.9	Very high	94.1	Very high	159 Å²	159	75.1 Å²	75.1	74%	0.743	34%	0.341	S	S	*	.	H	α-helix	trans	-66.8	-45.2	176.6	-66.3	-178.1	-176.9	0	0	112.4	T384 Y388 Q389 K390	T384-E386 PolarHBondContact O-N 3.42Å; E386-Y388 VanDerWaalsContact C-N 3.3Å; E386-Y388 PolarHBondContact O-N 3.41Å; E386-Q389 PolarHBondContact O-N 3.08Å; E386-K390 WeakPolarHBondContact O-CB 2.97Å; E386-K390 PolarHBondContact O-N 3.19Å
387	E	96.5	Very high	94.7	Very high	102 Å²	102	76.1 Å²	76.1	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-38.6	175.4	-73.4	166.7	148.1	0	0	111.6	M383 T384 K390 R391	M383-E387 HydrophobicContact CG-CB 3.62Å; M383-E387 HydrophobicContact SD-CB 4.45Å; T384-E387 PolarHBondContact N-OE2 2.88Å; T384-E387 PolarHBondContact O-N 2.88Å; T384-E387 WeakPolarHBondContact OG1-CB 3.22Å; T384-E387 VanDerWaalsContact OG1-CD 3.24Å; T384-E387 WeakPolarHBondContact OG1-CG 3.49Å; T384-E387 PolarHBondContact OG1-N 3.05Å; T384-E387 PolarHBondContact OG1-OE2 3.18Å; E387-K390 PolarHBondContact O-N 2.79Å; E387-R391 WeakPolarHBondContact O-CB 3.5Å; E387-R391 PolarHBondContact O-N 2.8Å
388	Y	96.7	Very high	95.1	Very high	2 Å²	2	78.2 Å²	78.2	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-48.1	175.7	170.2	-110.9	0	0	0	111.9	T290 C327 L329 L332 L380 M383 T384 E385 E386 K390 R391 N392	T290-Y388 PolarHBondContact O-OH 3.15Å; C327-Y388 WeakPolarHBondContact O-CE1 3.45Å; C327-Y388 PolarHBondContact O-OH 2.88Å; L329-Y388 HydrophobicContact CB-CD1 3.76Å; L329-Y388 HydrophobicContact CB-CE1 4.28Å; L329-Y388 HydrophobicContact CB-CG 3.9Å; L329-Y388 HydrophobicContact CD1-CD2 3.93Å; L329-Y388 HydrophobicContact CD1-CG 3.97Å; L329-Y388 HydrophobicContact CG-CG 4.41Å; L332-Y388 HydrophobicContact CD2-CE2 3.53Å; L380-Y388 HydrophobicContact CD2-CD2 4.27Å; L380-Y388 HydrophobicContact CD2-CE2 4.48Å; M383-Y388 WeakPolarHBondContact SD-CA 3.46Å; M383-Y388 HydrophobicContact SD-CD2 4.32Å; T384-Y388 WeakPolarHBondContact O-CB 3.37Å; T384-Y388 PolarHBondContact O-N 2.7Å; E385-Y388 PolarHBondContact O-N 3.41Å; E386-Y388 VanDerWaalsContact C-N 3.3Å; E386-Y388 PolarHBondContact O-N 3.41Å; Y388-K390 VanDerWaalsContact C-N 3.32Å; Y388-K390 PolarHBondContact O-N 3.3Å; Y388-R391 WeakPolarHBondContact O-CB 3.43Å; Y388-R391 PolarHBondContact O-N 2.88Å; Y388-N392 WeakPolarHBondContact CE1-ND2 3.33Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.45Å; Y388-N392 WeakPolarHBondContact CE2-OD1 3.42Å; Y388-N392 PolarHBondContact O-N 3.01Å; Y388-N392 PolarHBondContact O-OD1 3.02Å; Y388-N392 PolarHBondContact OH-ND2 2.6Å
389	Q	96.6	Very high	95.6	Very high	95 Å²	95	73.3 Å²	73.3	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-42.1	174.9	-72.8	176.5	8.7	0	0	111.8	E385 E386 N392 K393	E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.19Å; E385-Q389 PolarHBondContact O-N 2.79Å; E386-Q389 PolarHBondContact O-N 3.08Å; Q389-N392 PolarHBondContact O-N 3.48Å; Q389-K393 WeakPolarHBondContact O-CG 3.45Å; Q389-K393 PolarHBondContact O-N 2.96Å
390	K	97.3	Very high	96.1	Very high	163 Å²	163	69.6 Å²	69.6	71%	0.709	32%	0.324	S	S	*	.	H	α-helix	trans	-64.4	-40.1	176	-171.5	176.7	-178.9	177.9	0	112.2	E386 E387 Y388 R394	E386-K390 WeakPolarHBondContact O-CB 2.97Å; E386-K390 PolarHBondContact O-N 3.19Å; E387-K390 PolarHBondContact O-N 2.79Å; Y388-K390 VanDerWaalsContact C-N 3.32Å; Y388-K390 PolarHBondContact O-N 3.3Å; K390-R394 PolarHBondContact O-N 2.91Å
391	R	97.3	Very high	96.3	Very high	44 Å²	44	76.5 Å²	76.5	17%	0.166	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-47.3	173.3	177.8	-176.8	179.4	-161.7	3.3	110.7	E379 E387 Y388 K393 R394 L395	E379-R391 IonicContact OE2-CZ 3.78Å; E379-R391 IonicContact OE2-NH2 2.83Å; E379-R391 PolarHBondContact OE2-NH2 3.12Å; E387-R391 WeakPolarHBondContact O-CB 3.5Å; E387-R391 PolarHBondContact O-N 2.8Å; Y388-R391 WeakPolarHBondContact O-CB 3.43Å; Y388-R391 PolarHBondContact O-N 2.88Å; R391-K393 PolarHBondContact O-N 3.19Å; R391-R394 WeakPolarHBondContact O-CB 3.48Å; R391-R394 PolarHBondContact O-N 3.47Å; R391-R394 VanDerWaalsContact O-N 3.16Å; R391-L395 HydrophobicContact CG-CD1 4.03Å; R391-L395 HydrophobicContact CG-CG 4.38Å; R391-L395 WeakPolarHBondContact O-CG 2.84Å; R391-L395 PolarHBondContact O-N 3.38Å
392	N	98.1	Very high	96.7	Very high	2 Å²	2	74 Å²	74	1%	0.011	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-47.3	179.2	-72.7	4.8	0	0	0	111.3	T290 V323 Y388 Q389 R394 L395 W396	T290-N392 HydrophobicContact CG2-CB 4.08Å; T290-N392 WeakPolarHBondContact CG2-OD1 3.29Å; V323-N392 HydrophobicContact CG1-CB 4.3Å; V323-N392 HydrophobicContact CG2-CB 4.33Å; Y388-N392 WeakPolarHBondContact CE1-ND2 3.33Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.45Å; Y388-N392 WeakPolarHBondContact CE2-OD1 3.42Å; Y388-N392 PolarHBondContact O-N 3.01Å; Y388-N392 PolarHBondContact O-OD1 3.02Å; Y388-N392 PolarHBondContact OH-ND2 2.6Å; Q389-N392 PolarHBondContact O-N 3.48Å; N392-R394 VanDerWaalsContact C-N 3.29Å; N392-R394 PolarHBondContact O-N 3.04Å; N392-L395 PolarHBondContact O-N 3.41Å; N392-W396 WeakPolarHBondContact O-CB 3.04Å; N392-W396 PolarHBondContact O-N 3.31Å
393	K	98.1	Very high	97.1	Very high	87 Å²	87	66.6 Å²	66.6	38%	0.378	31%	0.312	S	S	.	.	H	α-helix	trans	-55.1	-44.2	173.8	-72.6	-172	-173.6	-147	0	112	P319 D320 V323 Q389 R391 S397	P319-K393 HydrophobicContact CG-CB 4.33Å; P319-K393 HydrophobicContact CG-CG 4.47Å; D320-K393 VanDerWaalsContact OD1-CE 3.31Å; D320-K393 WeakPolarHBondContact OD1-CE 3.43Å; D320-K393 IonicContact OD1-NZ 3.69Å; D320-K393 PolarHBondContact OD1-NZ 3.45Å; V323-K393 HydrophobicContact CB-CG 4.5Å; V323-K393 HydrophobicContact CG1-CG 4.2Å; V323-K393 HydrophobicContact CG2-CG 3.96Å; Q389-K393 WeakPolarHBondContact O-CG 3.45Å; Q389-K393 PolarHBondContact O-N 2.96Å; R391-K393 PolarHBondContact O-N 3.19Å; K393-S397 VanDerWaalsContact O-CB 3.27Å; K393-S397 WeakPolarHBondContact O-CB 3.42Å; K393-S397 PolarHBondContact O-N 3.48Å; K393-S397 PolarHBondContact O-OG 2.88Å
394	R	98.2	Very high	97.1	Very high	185 Å²	185	66.2 Å²	66.2	70%	0.698	31%	0.309	S	S	*	.	H	α-helix	trans	-63.5	-47.8	178	-179.3	-178	175.8	-177.2	-0.3	112.2	K390 R391 N392 S397 I398	K390-R394 PolarHBondContact O-N 2.91Å; R391-R394 WeakPolarHBondContact O-CB 3.48Å; R391-R394 PolarHBondContact O-N 3.47Å; R391-R394 VanDerWaalsContact O-N 3.16Å; N392-R394 VanDerWaalsContact C-N 3.29Å; N392-R394 PolarHBondContact O-N 3.04Å; R394-S397 PolarHBondContact O-N 3.26Å; R394-I398 HydrophobicContact CG-CD1 4.22Å; R394-I398 WeakPolarHBondContact O-CG1 3.37Å; R394-I398 PolarHBondContact O-N 2.88Å; R394-I398 VanDerWaalsContact O-N 3.09Å
395	L	98.3	Very high	97.1	Very high	36 Å²	36	66.6 Å²	66.6	19%	0.188	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-48.3	-179.3	-69.7	174.8	0	0	0	111.1	T286 K289 T290 R391 N392 S397 I398 W399	T286-L395 HydrophobicContact CG2-CB 4.16Å; K289-L395 HydrophobicContact CB-CD1 4.04Å; T290-L395 HydrophobicContact CG2-CB 4.29Å; T290-L395 HydrophobicContact CG2-CD1 3.86Å; R391-L395 HydrophobicContact CG-CD1 4.03Å; R391-L395 HydrophobicContact CG-CG 4.38Å; R391-L395 WeakPolarHBondContact O-CG 2.84Å; R391-L395 PolarHBondContact O-N 3.38Å; N392-L395 PolarHBondContact O-N 3.41Å; L395-S397 VanDerWaalsContact C-N 3.35Å; L395-S397 PolarHBondContact O-N 3.2Å; L395-I398 WeakPolarHBondContact O-CB 3.37Å; L395-I398 PolarHBondContact O-N 3.48Å; L395-W399 PolarHBondContact O-N 3.36Å; L395-W399 VanDerWaalsContact O-N 3.11Å
396	W	98.4	Very high	97.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-37.7	176.5	-80.8	110.4	0	0	0	112.7	L283 T286 M287 T290 A292 T297 P319 I322 V323 N392 I398 W399 L400	L283-W396 HydrophobicContact CD1-CH2 3.61Å; L283-W396 HydrophobicContact CD1-CZ3 3.66Å; T286-W396 HydrophobicContact CG2-CD2 3.78Å; T286-W396 HydrophobicContact CG2-CE3 4.09Å; T286-W396 HydrophobicContact CG2-CG 4.19Å; T286-W396 HydrophobicContact CG2-CH2 4.36Å; T286-W396 HydrophobicContact CG2-CZ2 4.07Å; T286-W396 HydrophobicContact CG2-CZ3 4.37Å; M287-W396 HydrophobicContact CG-CH2 3.79Å; M287-W396 HydrophobicContact CG-CZ2 3.92Å; T290-W396 PolarHBondContact OG1-NE1 3.33Å; A292-W396 HydrophobicContact CB-CZ2 3.94Å; T297-W396 HydrophobicContact CG2-CH2 3.56Å; T297-W396 HydrophobicContact CG2-CZ2 4.21Å; T297-W396 HydrophobicContact CG2-CZ3 4.35Å; P319-W396 HydrophobicContact CB-CB 3.7Å; I322-W396 HydrophobicContact CB-CD2 4.21Å; I322-W396 HydrophobicContact CB-CE3 4.39Å; I322-W396 HydrophobicContact CD1-CE3 3.89Å; I322-W396 HydrophobicContact CD1-CZ3 4.13Å; I322-W396 HydrophobicContact CG2-CD2 3.53Å; I322-W396 HydrophobicContact CG2-CE3 3.72Å; I322-W396 HydrophobicContact CG2-CG 4.25Å; I322-W396 HydrophobicContact CG2-CH2 3.64Å; I322-W396 HydrophobicContact CG2-CZ2 3.44Å; I322-W396 VanDerWaalsContact CG2-CZ2 3.44Å; I322-W396 HydrophobicContact CG2-CZ3 3.78Å; V323-W396 HydrophobicContact CG2-CB 4.36Å; V323-W396 HydrophobicContact CG2-CG 4.33Å; N392-W396 WeakPolarHBondContact O-CB 3.04Å; N392-W396 PolarHBondContact O-N 3.31Å; W396-I398 VanDerWaalsContact C-N 3.29Å; W396-I398 PolarHBondContact O-N 3.19Å; W396-W399 HydrophobicContact CE3-CE3 4.13Å; W396-W399 HydrophobicContact CZ3-CD2 4.28Å; W396-W399 AromaticContact CZ3-CE3 3.93Å; W396-W399 HydrophobicContact CZ3-CE3 3.93Å; W396-W399 HydrophobicContact CZ3-CZ3 4.43Å; W396-W399 PolarHBondContact O-N 2.81Å; W396-L400 VanDerWaalsContact O-CB 3.29Å; W396-L400 WeakPolarHBondContact O-CB 3.4Å; W396-L400 VanDerWaalsContact O-CG 3.3Å; W396-L400 WeakPolarHBondContact O-CG 3.5Å; W396-L400 PolarHBondContact O-N 3.02Å
397	S	97.7	Very high	97	Very high	38 Å²	38	55.8 Å²	55.8	27%	0.266	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-35.9	174.1	-62	0	0	0	0	112.9	K393 R394 L395 R401	K393-S397 VanDerWaalsContact O-CB 3.27Å; K393-S397 WeakPolarHBondContact O-CB 3.42Å; K393-S397 PolarHBondContact O-N 3.48Å; K393-S397 PolarHBondContact O-OG 2.88Å; R394-S397 PolarHBondContact O-N 3.26Å; L395-S397 VanDerWaalsContact C-N 3.35Å; L395-S397 PolarHBondContact O-N 3.2Å; S397-R401 WeakPolarHBondContact O-CB 3.35Å; S397-R401 PolarHBondContact O-N 3.28Å; S397-R401 VanDerWaalsContact O-N 3.13Å; S397-R401 PolarHBondContact O-NH1 2.91Å
398	I	98	Very high	96.8	Very high	92 Å²	92	56 Å²	56	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-66.9	-49.7	176.2	-68.5	163.4	0	0	0	109.6	R394 L395 W396 R401 A402	R394-I398 HydrophobicContact CG-CD1 4.22Å; R394-I398 WeakPolarHBondContact O-CG1 3.37Å; R394-I398 PolarHBondContact O-N 2.88Å; R394-I398 VanDerWaalsContact O-N 3.09Å; L395-I398 WeakPolarHBondContact O-CB 3.37Å; L395-I398 PolarHBondContact O-N 3.48Å; W396-I398 VanDerWaalsContact C-N 3.29Å; W396-I398 PolarHBondContact O-N 3.19Å; I398-R401 PolarHBondContact O-N 2.92Å; I398-A402 PolarHBondContact O-N 3.07Å
399	W	98.4	Very high	96.7	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-44.7	179.4	-174.7	88.1	0	0	0	112	L266 L279 L283 L301 L395 W396 R401 A402 Y403	L266-W399 HydrophobicContact CD2-CH2 3.98Å; L266-W399 HydrophobicContact CD2-CZ2 4.26Å; L279-W399 HydrophobicContact CD1-CZ2 4.05Å; L279-W399 HydrophobicContact CG-CZ2 4.29Å; L279-W399 PolarHBondContact O-NE1 3.37Å; L283-W399 HydrophobicContact CB-CZ2 3.79Å; L283-W399 HydrophobicContact CD1-CD2 4.2Å; L283-W399 HydrophobicContact CD1-CH2 4.05Å; L283-W399 HydrophobicContact CD1-CZ2 3.68Å; L283-W399 HydrophobicContact CD1-CZ3 4.46Å; L283-W399 HydrophobicContact CD2-CZ2 4.1Å; L283-W399 HydrophobicContact CG-CZ2 4.05Å; L283-W399 VanDerWaalsContact N-NE1 3.2Å; L301-W399 HydrophobicContact CD1-CH2 3.99Å; L301-W399 HydrophobicContact CD1-CZ3 4.27Å; L301-W399 HydrophobicContact CD2-CH2 3.97Å; L301-W399 HydrophobicContact CD2-CZ3 3.49Å; L301-W399 VanDerWaalsContact CD2-CZ3 3.49Å; L395-W399 PolarHBondContact O-N 3.36Å; L395-W399 VanDerWaalsContact O-N 3.11Å; W396-W399 HydrophobicContact CE3-CE3 4.13Å; W396-W399 HydrophobicContact CZ3-CD2 4.28Å; W396-W399 AromaticContact CZ3-CE3 3.93Å; W396-W399 HydrophobicContact CZ3-CE3 3.93Å; W396-W399 HydrophobicContact CZ3-CZ3 4.43Å; W396-W399 PolarHBondContact O-N 2.81Å; W399-R401 VanDerWaalsContact C-N 3.27Å; W399-R401 PolarHBondContact O-N 3.2Å; W399-A402 WeakPolarHBondContact O-CB 2.81Å; W399-A402 PolarHBondContact O-N 3.37Å; W399-Y403 HydrophobicContact CH2-CD1 4.15Å; W399-Y403 HydrophobicContact CH2-CD2 4.15Å; W399-Y403 AromaticContact CH2-CG 3.79Å; W399-Y403 HydrophobicContact CH2-CG 3.79Å; W399-Y403 AromaticContact CZ3-CD1 3.94Å; W399-Y403 HydrophobicContact CZ3-CD1 3.94Å; W399-Y403 AromaticContact CZ3-CG 3.88Å; W399-Y403 HydrophobicContact CZ3-CG 3.88Å; W399-Y403 PolarHBondContact O-N 3.11Å
400	L	97.8	Very high	96.6	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-33.4	177.7	-76.6	171.6	0	0	0	112.6	L301 L317 P319 I322 W396 Y403 K404	L301-L400 HydrophobicContact CD2-CD2 4.01Å; L317-L400 HydrophobicContact CB-CB 4.08Å; L317-L400 HydrophobicContact CB-CD1 4.26Å; L317-L400 HydrophobicContact CB-CD2 4.06Å; L317-L400 HydrophobicContact CB-CG 4.37Å; L317-L400 HydrophobicContact CD1-CD2 4.09Å; P319-L400 HydrophobicContact CB-CD1 4.03Å; I322-L400 HydrophobicContact CD1-CD1 4.11Å; I322-L400 HydrophobicContact CD1-CD2 3.91Å; I322-L400 HydrophobicContact CD1-CG 4.28Å; W396-L400 VanDerWaalsContact O-CB 3.29Å; W396-L400 WeakPolarHBondContact O-CB 3.4Å; W396-L400 VanDerWaalsContact O-CG 3.3Å; W396-L400 WeakPolarHBondContact O-CG 3.5Å; W396-L400 PolarHBondContact O-N 3.02Å; L400-Y403 HydrophobicContact CD2-CD1 4.27Å; L400-Y403 PolarHBondContact O-N 3.46Å; L400-K404 WeakPolarHBondContact O-CB 3.23Å; L400-K404 PolarHBondContact O-N 3.23Å
401	R	96.3	Very high	96.2	Very high	144 Å²	144	48 Å²	48	54%	0.543	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-44.1	172.1	-174.8	178	-67.5	98.3	1.6	111.6	S397 I398 W399 K404 T405	S397-R401 WeakPolarHBondContact O-CB 3.35Å; S397-R401 PolarHBondContact O-N 3.28Å; S397-R401 VanDerWaalsContact O-N 3.13Å; S397-R401 PolarHBondContact O-NH1 2.91Å; I398-R401 PolarHBondContact O-N 2.92Å; W399-R401 VanDerWaalsContact C-N 3.27Å; W399-R401 PolarHBondContact O-N 3.2Å; R401-K404 PolarHBondContact O-N 3.48Å; R401-T405 PolarHBondContact O-N 3.35Å; R401-T405 PolarHBondContact O-OG1 2.75Å; R401-T405 VanDerWaalsContact O-OG1 3.13Å
402	A	97.3	Very high	95.9	Very high	49 Å²	49	53.5 Å²	53.5	41%	0.405	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-43.8	175.4	0	0	0	0	0	111.5	L279 I398 W399 K404 T405 R406	L279-A402 HydrophobicContact CD1-CB 4.18Å; I398-A402 PolarHBondContact O-N 3.07Å; W399-A402 WeakPolarHBondContact O-CB 2.81Å; W399-A402 PolarHBondContact O-N 3.37Å; A402-K404 PolarHBondContact O-N 3.37Å; A402-T405 PolarHBondContact O-N 3.28Å; A402-R406 PolarHBondContact O-N 2.88Å
403	Y	97.6	Very high	95.4	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-44	174.6	176	-127.3	0	0	0	112	L266 L279 L317 W399 L400 T405 R406 L407	L266-Y403 HydrophobicContact CB-CE2 4.16Å; L266-Y403 WeakPolarHBondContact O-CE2 3.46Å; L266-Y403 PolarHBondContact O-OH 3Å; L279-Y403 HydrophobicContact CD2-CD2 4.17Å; L317-Y403 HydrophobicContact CD1-CD1 3.75Å; L317-Y403 HydrophobicContact CD1-CE1 4.19Å; W399-Y403 HydrophobicContact CH2-CD1 4.15Å; W399-Y403 HydrophobicContact CH2-CD2 4.15Å; W399-Y403 AromaticContact CH2-CG 3.79Å; W399-Y403 HydrophobicContact CH2-CG 3.79Å; W399-Y403 AromaticContact CZ3-CD1 3.94Å; W399-Y403 HydrophobicContact CZ3-CD1 3.94Å; W399-Y403 AromaticContact CZ3-CG 3.88Å; W399-Y403 HydrophobicContact CZ3-CG 3.88Å; W399-Y403 PolarHBondContact O-N 3.11Å; L400-Y403 HydrophobicContact CD2-CD1 4.27Å; L400-Y403 PolarHBondContact O-N 3.46Å; Y403-T405 PolarHBondContact O-N 3.46Å; Y403-R406 CarbonylContact O-C 3.57Å; Y403-R406 WeakPolarHBondContact O-CB 3.1Å; Y403-R406 PolarHBondContact O-N 2.95Å; Y403-R406 VanDerWaalsContact O-N 3.15Å; Y403-L407 HydrophobicContact CD1-CD1 4.03Å; Y403-L407 HydrophobicContact CD2-CD1 4.43Å; Y403-L407 HydrophobicContact CD2-CG 4.18Å; Y403-L407 HydrophobicContact CE1-CD1 3.57Å; Y403-L407 HydrophobicContact CE1-CG 4.27Å; Y403-L407 HydrophobicContact CE2-CD1 4.01Å; Y403-L407 HydrophobicContact CE2-CD2 4.04Å; Y403-L407 HydrophobicContact CE2-CG 3.77Å; Y403-L407 HydrophobicContact CG-CD1 4.45Å; Y403-L407 WeakPolarHBondContact O-CG 3.24Å; Y403-L407 PolarHBondContact O-N 3.41Å
404	K	94.1	Very high	94.6	Very high	34 Å²	34	57.5 Å²	57.5	15%	0.148	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-45.3	175	-170.1	-179.7	-176.4	-171.1	0	111.9	D315 L317 L400 R401 A402 R406 L407 K408	D315-K404 VanDerWaalsContact CG-NZ 3.31Å; D315-K404 PolarHBondContact O-NZ 3.09Å; D315-K404 IonicContact OD1-NZ 2.89Å; D315-K404 PolarHBondContact OD1-NZ 3.17Å; L317-K404 HydrophobicContact CD1-CB 4.02Å; L400-K404 WeakPolarHBondContact O-CB 3.23Å; L400-K404 PolarHBondContact O-N 3.23Å; R401-K404 PolarHBondContact O-N 3.48Å; A402-K404 PolarHBondContact O-N 3.37Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 2.7Å; K404-L407 WeakPolarHBondContact O-CB 3.48Å; K404-L407 PolarHBondContact O-N 2.96Å; K404-K408 WeakPolarHBondContact O-CG 3.49Å; K404-K408 PolarHBondContact O-N 3.33Å
405	T	94.9	Very high	93.8	Very high	80 Å²	80	54.6 Å²	54.6	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-43.2	175	-61.8	0	0	0	0	110.7	R401 A402 Y403 K408 I409	R401-T405 PolarHBondContact O-N 3.35Å; R401-T405 PolarHBondContact O-OG1 2.75Å; R401-T405 VanDerWaalsContact O-OG1 3.13Å; A402-T405 PolarHBondContact O-N 3.28Å; Y403-T405 PolarHBondContact O-N 3.46Å; T405-K408 PolarHBondContact O-N 2.85Å; T405-I409 PolarHBondContact O-N 3.32Å
406	R	96.1	Very high	93.3	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-39.2	177.1	179.4	56.2	-173.7	89.6	6	112.8	L268 Y270 D276 L279 A402 Y403 K404 I409 D410	L268-R406 HydrophobicContact CD1-CG 4.02Å; L268-R406 HydrophobicContact CD2-CG 4.12Å; Y270-R406 PolarHBondContact O-NH2 3.06Å; D276-R406 IonicContact OD1-CZ 2.67Å; D276-R406 IonicContact OD1-NE 3.78Å; D276-R406 PolarHBondContact OD1-NE 3.45Å; D276-R406 IonicContact OD1-NH2 2.69Å; D276-R406 PolarHBondContact OD1-NH2 3.06Å; D276-R406 IonicContact OD2-NH2 3.51Å; L279-R406 HydrophobicContact CD2-CB 3.99Å; L279-R406 HydrophobicContact CD2-CG 3.87Å; A402-R406 PolarHBondContact O-N 2.88Å; Y403-R406 CarbonylContact O-C 3.57Å; Y403-R406 WeakPolarHBondContact O-CB 3.1Å; Y403-R406 PolarHBondContact O-N 2.95Å; Y403-R406 VanDerWaalsContact O-N 3.15Å; K404-R406 VanDerWaalsContact C-N 3.27Å; K404-R406 PolarHBondContact O-N 2.7Å; R406-I409 PolarHBondContact O-N 2.69Å; R406-D410 IonicContact CZ-OD1 2.75Å; R406-D410 VanDerWaalsContact NH1-CB 3.29Å; R406-D410 IonicContact NH1-OD1 3.26Å; R406-D410 PolarHBondContact NH1-OD1 3.11Å; R406-D410 IonicContact NH2-OD1 2.74Å; R406-D410 PolarHBondContact NH2-OD1 3.31Å; R406-D410 PolarHBondContact O-N 2.74Å; R406-D410 VanDerWaalsContact O-N 3.14Å
407	L	93.9	Very high	92.7	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-43.9	173.7	-81	173.7	0	0	0	111.3	L268 L305 Y403 K404 I409 D410 F411	L268-L407 HydrophobicContact CD2-CD2 3.89Å; L305-L407 HydrophobicContact CD1-CD1 4.24Å; Y403-L407 HydrophobicContact CD1-CD1 4.03Å; Y403-L407 HydrophobicContact CD2-CD1 4.43Å; Y403-L407 HydrophobicContact CD2-CG 4.18Å; Y403-L407 HydrophobicContact CE1-CD1 3.57Å; Y403-L407 HydrophobicContact CE1-CG 4.27Å; Y403-L407 HydrophobicContact CE2-CD1 4.01Å; Y403-L407 HydrophobicContact CE2-CD2 4.04Å; Y403-L407 HydrophobicContact CE2-CG 3.77Å; Y403-L407 HydrophobicContact CG-CD1 4.45Å; Y403-L407 WeakPolarHBondContact O-CG 3.24Å; Y403-L407 PolarHBondContact O-N 3.41Å; K404-L407 WeakPolarHBondContact O-CB 3.48Å; K404-L407 PolarHBondContact O-N 2.96Å; L407-I409 VanDerWaalsContact C-N 3.35Å; L407-I409 PolarHBondContact O-N 3.35Å; L407-D410 CarbonylContact O-C 3.52Å; L407-D410 WeakPolarHBondContact O-CA 3.26Å; L407-D410 WeakPolarHBondContact O-CB 3.41Å; L407-D410 PolarHBondContact O-N 3.16Å; L407-F411 VanDerWaalsContact C-CD2 3.45Å; L407-F411 HydrophobicContact CB-CD2 4.11Å; L407-F411 HydrophobicContact CB-CE2 3.81Å; L407-F411 HydrophobicContact CD2-CE2 4.43Å; L407-F411 WeakPolarHBondContact O-CD2 3.33Å; L407-F411 WeakPolarHBondContact O-CG 3.36Å; L407-F411 PolarHBondContact O-N 3.03Å
408	K	92	Very high	92.1	Very high	105 Å²	105	63.4 Å²	63.4	46%	0.457	32%	0.324	S	S	.	.	H	α-helix	trans	-55.4	-48	176.4	-72.3	-178.7	178.4	-168.8	0	112.1	K404 T405 D410 F411 E412	K404-K408 WeakPolarHBondContact O-CG 3.49Å; K404-K408 PolarHBondContact O-N 3.33Å; T405-K408 PolarHBondContact O-N 2.85Å; K408-D410 PolarHBondContact O-N 3.11Å; K408-F411 PolarHBondContact O-N 3.35Å; K408-F411 VanDerWaalsContact O-N 3.15Å; K408-E412 WeakPolarHBondContact O-CG 3.47Å; K408-E412 PolarHBondContact O-N 3.16Å
409	I	93.8	Very high	91.6	Very high	51 Å²	51	65 Å²	65	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-58.9	-35.8	175.2	-63	167.4	0	0	0	111.4	T405 R406 L407	T405-I409 PolarHBondContact O-N 3.32Å; R406-I409 PolarHBondContact O-N 2.69Å; L407-I409 VanDerWaalsContact C-N 3.35Å; L407-I409 PolarHBondContact O-N 3.35Å
410	D	94.2	Very high	91.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-73.9	-38	178	-142.8	74.8	0	0	0	112.4	L268 F269 Y270 R406 L407 K408 E412 R413 R425	L268-D410 HydrophobicContact CD2-CB 4.18Å; F269-D410 PolarHBondContact N-OD2 2.95Å; Y270-D410 WeakPolarHBondContact CD2-O 3.46Å; Y270-D410 WeakPolarHBondContact CE2-O 3.27Å; Y270-D410 PolarHBondContact N-OD1 2.7Å; Y270-D410 VanDerWaalsContact N-OD1 3.11Å; R406-D410 IonicContact CZ-OD1 2.75Å; R406-D410 VanDerWaalsContact NH1-CB 3.29Å; R406-D410 IonicContact NH1-OD1 3.26Å; R406-D410 PolarHBondContact NH1-OD1 3.11Å; R406-D410 IonicContact NH2-OD1 2.74Å; R406-D410 PolarHBondContact NH2-OD1 3.31Å; R406-D410 PolarHBondContact O-N 2.74Å; R406-D410 VanDerWaalsContact O-N 3.14Å; L407-D410 CarbonylContact O-C 3.52Å; L407-D410 WeakPolarHBondContact O-CA 3.26Å; L407-D410 WeakPolarHBondContact O-CB 3.41Å; L407-D410 PolarHBondContact O-N 3.16Å; K408-D410 PolarHBondContact O-N 3.11Å; D410-E412 VanDerWaalsContact C-N 3.35Å; D410-R413 PolarHBondContact O-N 2.95Å; D410-R425 PolarHBondContact O-NH2 2.67Å; D410-R425 IonicContact OD2-CZ 2.66Å; D410-R425 IonicContact OD2-NH1 2.84Å; D410-R425 PolarHBondContact OD2-NH1 3.06Å; D410-R425 IonicContact OD2-NH2 3.22Å; D410-R425 PolarHBondContact OD2-NH2 3.02Å
411	F	90.6	Very high	90.9	Very high	42 Å²	42	67.5 Å²	67.5	18%	0.184	34%	0.344	C	S	.	.	H	α-helix	trans	-64.1	-37.8	176.9	-75.9	-66	0	0	0	111.8	L407 K408 R413 N414 Q421 I422 R425	L407-F411 VanDerWaalsContact C-CD2 3.45Å; L407-F411 HydrophobicContact CB-CD2 4.11Å; L407-F411 HydrophobicContact CB-CE2 3.81Å; L407-F411 HydrophobicContact CD2-CE2 4.43Å; L407-F411 WeakPolarHBondContact O-CD2 3.33Å; L407-F411 WeakPolarHBondContact O-CG 3.36Å; L407-F411 PolarHBondContact O-N 3.03Å; K408-F411 PolarHBondContact O-N 3.35Å; K408-F411 VanDerWaalsContact O-N 3.15Å; F411-R413 PolarHBondContact O-N 3.39Å; F411-R413 VanDerWaalsContact O-N 3.09Å; F411-N414 PolarHBondContact O-N 2.94Å; F411-N414 VanDerWaalsContact O-N 3.13Å; F411-Q421 HydrophobicContact CD1-CB 3.7Å; F411-Q421 HydrophobicContact CD1-CG 4.29Å; F411-Q421 HydrophobicContact CE1-CB 3.57Å; F411-Q421 PolarHBondContact O-NE2 3.27Å; F411-Q421 PolarHBondContact O-OE1 3.4Å; F411-I422 HydrophobicContact CE1-CG1 4.16Å; F411-I422 HydrophobicContact CZ-CG1 3.91Å; F411-R425 VanDerWaalsContact CE1-NE 3.27Å
412	E	89.4	Confident	90.6	Very high	159 Å²	159	61 Å²	61	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.1	-179.5	-75.3	169.1	-172	0	0	114.2	K408 D410	K408-E412 WeakPolarHBondContact O-CG 3.47Å; K408-E412 PolarHBondContact O-N 3.16Å; D410-E412 VanDerWaalsContact C-N 3.35Å
413	R	87.6	Confident	90.4	Very high	141 Å²	141	60.9 Å²	60.9	53%	0.532	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.9	179.7	-77.4	-169.7	167	-164.5	-4.2	114.4	Y270 D410 F411	Y270-R413 HydrophobicContact CD1-CB 4.33Å; Y270-R413 HydrophobicContact CD2-CB 3.53Å; Y270-R413 HydrophobicContact CD2-CG 4.36Å; Y270-R413 HydrophobicContact CE1-CB 4.32Å; Y270-R413 HydrophobicContact CE2-CB 3.52Å; Y270-R413 HydrophobicContact CG-CB 3.94Å; Y270-R413 HydrophobicContact CG-CG 4.44Å; D410-R413 PolarHBondContact O-N 2.95Å; F411-R413 PolarHBondContact O-N 3.39Å; F411-R413 VanDerWaalsContact O-N 3.09Å
414	N	82.2	Confident	90.3	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.171	33%	0.332	C	S	.	.			trans	-117.6	132.4	175.3	-175.1	-7.2	0	0	0	109.7	Y270 F411 D416 Q421	Y270-N414 HydrophobicContact CE2-CB 4.37Å; F411-N414 PolarHBondContact O-N 2.94Å; F411-N414 VanDerWaalsContact O-N 3.13Å; N414-D416 VanDerWaalsContact C-N 3.3Å; N414-D416 PolarHBondContact ND2-OD2 3.48Å; N414-D416 WeakPolarHBondContact OD1-CB 3.48Å; N414-D416 VanDerWaalsContact OD1-CG 3.25Å; N414-D416 PolarHBondContact OD1-N 3.29Å; N414-D416 PolarHBondContact OD1-OD2 3.41Å; N414-D416 VanDerWaalsContact OD1-OD2 3.07Å; N414-Q421 HydrophobicContact CB-CG 4.44Å; N414-Q421 PolarHBondContact O-NE2 2.97Å; N414-Q421 VanDerWaalsContact O-NE2 3.07Å
415	S	82.1	Confident	90.3	Very high	124 Å²	124	62.8 Å²	62.8	87%	0.867	33%	0.325	S	S	*	.			trans	-78.4	-7.6	177.9	50.2	0	0	0	0	114.6
416	D	87	Confident	90.4	Very high	69 Å²	69	59.4 Å²	59.4	37%	0.369	30%	0.304	S	S	.	.	S	Bend	trans	-66.2	154.8	179	-67.5	-36.7	0	0	0	112.1	N414 T420 Q421	N414-D416 VanDerWaalsContact C-N 3.3Å; N414-D416 PolarHBondContact ND2-OD2 3.48Å; N414-D416 WeakPolarHBondContact OD1-CB 3.48Å; N414-D416 VanDerWaalsContact OD1-CG 3.25Å; N414-D416 PolarHBondContact OD1-N 3.29Å; N414-D416 PolarHBondContact OD1-OD2 3.41Å; N414-D416 VanDerWaalsContact OD1-OD2 3.07Å; D416-T420 HydrophobicContact CB-CG2 4.15Å; D416-Q421 HydrophobicContact CB-CG 3.84Å; D416-Q421 PolarHBondContact O-NE2 3.33Å
417	N	86.5	Confident	90.4	Very high	96 Å²	96	63.7 Å²	63.7	51%	0.513	33%	0.327	S	S	.	.			trans	-63.6	154.2	176.4	71.5	69.3	0	0	0	111.6	K419 T420 Q421	N417-K419 PolarHBondContact O-N 3.5Å; N417-K419 VanDerWaalsContact O-N 3.14Å; N417-K419 WeakPolarHBondContact OD1-CB 3.38Å; N417-K419 PolarHBondContact OD1-N 3.27Å; N417-K419 VanDerWaalsContact OD1-N 3.1Å; N417-T420 PolarHBondContact ND2-OG1 3.37Å; N417-T420 PolarHBondContact O-N 2.99Å; N417-T420 VanDerWaalsContact O-N 3.15Å; N417-T420 PolarHBondContact OD1-N 2.9Å; N417-T420 PolarHBondContact OD1-OG1 3.2Å; N417-Q421 PolarHBondContact O-N 2.95Å
418	T	85.3	Confident	90.5	Very high	94 Å²	94	65 Å²	65	58%	0.577	33%	0.334	S	S	*	.	H	α-helix	trans	-53.1	-38.8	-176.6	-53.9	0	0	0	0	113.2	Q421 I422	T418-Q421 PolarHBondContact O-N 2.85Å; T418-I422 HydrophobicContact CG2-CD1 3.82Å; T418-I422 HydrophobicContact CG2-CG1 4.4Å; T418-I422 VanDerWaalsContact O-CG1 3.29Å; T418-I422 WeakPolarHBondContact O-CG1 3.49Å; T418-I422 PolarHBondContact O-N 3.38Å
419	K	86.6	Confident	90.8	Very high	125 Å²	125	60 Å²	60	54%	0.543	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-46.1	-178.4	-169.9	172	-175.7	167.7	0	111.7	F309 N417 I422 S423	F309-K419 HydrophobicContact CD2-CG 3.73Å; F309-K419 HydrophobicContact CE2-CB 4.38Å; F309-K419 HydrophobicContact CE2-CD 4.08Å; F309-K419 HydrophobicContact CE2-CG 3.2Å; F309-K419 WeakPolarHBondContact CE2-O 3.21Å; F309-K419 HydrophobicContact CZ-CD 4.12Å; F309-K419 HydrophobicContact CZ-CG 3.73Å; N417-K419 PolarHBondContact O-N 3.5Å; N417-K419 VanDerWaalsContact O-N 3.14Å; N417-K419 WeakPolarHBondContact OD1-CB 3.38Å; N417-K419 PolarHBondContact OD1-N 3.27Å; N417-K419 VanDerWaalsContact OD1-N 3.1Å; K419-I422 PolarHBondContact O-N 3.27Å; K419-S423 PolarHBondContact O-N 3.29Å
420	T	89.9	Confident	90.9	Very high	53 Å²	53	60 Å²	60	33%	0.325	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-48.9	174	-62.8	0	0	0	0	110.3	D416 N417 I422 S423 E424	D416-T420 HydrophobicContact CB-CG2 4.15Å; N417-T420 PolarHBondContact ND2-OG1 3.37Å; N417-T420 PolarHBondContact O-N 2.99Å; N417-T420 VanDerWaalsContact O-N 3.15Å; N417-T420 PolarHBondContact OD1-N 2.9Å; N417-T420 PolarHBondContact OD1-OG1 3.2Å; T420-I422 PolarHBondContact O-N 3.06Å; T420-S423 WeakPolarHBondContact O-CB 3.36Å; T420-S423 PolarHBondContact O-N 3.16Å; T420-S423 VanDerWaalsContact O-N 3.14Å; T420-E424 WeakPolarHBondContact O-CG 3.42Å; T420-E424 PolarHBondContact O-N 3.43Å
421	Q	91.1	Very high	91	Very high	11 Å²	11	63.1 Å²	63.1	5%	0.051	33%	0.333	C	S	.	.	H	α-helix	trans	-61.7	-43.2	-179.5	-66	-161.4	53.9	0	0	112.5	F411 N414 D416 N417 T418 S423 E424 R425	F411-Q421 HydrophobicContact CD1-CB 3.7Å; F411-Q421 HydrophobicContact CD1-CG 4.29Å; F411-Q421 HydrophobicContact CE1-CB 3.57Å; F411-Q421 PolarHBondContact O-NE2 3.27Å; F411-Q421 PolarHBondContact O-OE1 3.4Å; N414-Q421 HydrophobicContact CB-CG 4.44Å; N414-Q421 PolarHBondContact O-NE2 2.97Å; N414-Q421 VanDerWaalsContact O-NE2 3.07Å; D416-Q421 HydrophobicContact CB-CG 3.84Å; D416-Q421 PolarHBondContact O-NE2 3.33Å; N417-Q421 PolarHBondContact O-N 2.95Å; T418-Q421 PolarHBondContact O-N 2.85Å; Q421-S423 VanDerWaalsContact C-N 3.33Å; Q421-S423 PolarHBondContact O-N 2.91Å; Q421-E424 PolarHBondContact O-N 2.71Å; Q421-R425 WeakPolarHBondContact O-CG 3.33Å; Q421-R425 PolarHBondContact O-N 3.44Å
422	I	91.6	Very high	91.3	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.4	-69	167.3	0	0	0	110.7	L305 L308 F309 F411 T418 K419 T420 E424 R425 L426	L305-I422 HydrophobicContact CD1-CG2 4.4Å; L305-I422 HydrophobicContact CG-CG2 4.13Å; L308-I422 HydrophobicContact CB-CD1 4.32Å; F309-I422 HydrophobicContact CB-CG2 3.78Å; F309-I422 HydrophobicContact CD2-CB 4.14Å; F309-I422 HydrophobicContact CD2-CG2 3.91Å; F309-I422 HydrophobicContact CG-CG2 4.32Å; F411-I422 HydrophobicContact CE1-CG1 4.16Å; F411-I422 HydrophobicContact CZ-CG1 3.91Å; T418-I422 HydrophobicContact CG2-CD1 3.82Å; T418-I422 HydrophobicContact CG2-CG1 4.4Å; T418-I422 VanDerWaalsContact O-CG1 3.29Å; T418-I422 WeakPolarHBondContact O-CG1 3.49Å; T418-I422 PolarHBondContact O-N 3.38Å; K419-I422 PolarHBondContact O-N 3.27Å; T420-I422 PolarHBondContact O-N 3.06Å; I422-E424 VanDerWaalsContact C-N 3.34Å; I422-E424 PolarHBondContact O-N 3.44Å; I422-R425 PolarHBondContact O-N 3Å; I422-L426 HydrophobicContact CG2-CD1 3.92Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 WeakPolarHBondContact O-CG 3.32Å; I422-L426 PolarHBondContact O-N 2.85Å
423	S	92.5	Very high	91.6	Very high	45 Å²	45	54.8 Å²	54.8	32%	0.315	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-42	177.6	-171.8	0	0	0	0	112.6	K419 T420 Q421 L426 N427	K419-S423 PolarHBondContact O-N 3.29Å; T420-S423 WeakPolarHBondContact O-CB 3.36Å; T420-S423 PolarHBondContact O-N 3.16Å; T420-S423 VanDerWaalsContact O-N 3.14Å; Q421-S423 VanDerWaalsContact C-N 3.33Å; Q421-S423 PolarHBondContact O-N 2.91Å; S423-L426 PolarHBondContact O-N 2.81Å; S423-N427 VanDerWaalsContact O-CG 3.27Å; S423-N427 PolarHBondContact O-N 2.79Å; S423-N427 PolarHBondContact O-ND2 2.72Å
424	E	94.8	Very high	92	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-39.9	178	-70.9	179.9	165	0	0	112.3	F269 T420 Q421 I422 N427 L428	F269-E424 HydrophobicContact CE2-CB 4.31Å; F269-E424 HydrophobicContact CZ-CB 4.19Å; T420-E424 WeakPolarHBondContact O-CG 3.42Å; T420-E424 PolarHBondContact O-N 3.43Å; Q421-E424 PolarHBondContact O-N 2.71Å; I422-E424 VanDerWaalsContact C-N 3.34Å; I422-E424 PolarHBondContact O-N 3.44Å; E424-N427 PolarHBondContact O-N 2.85Å; E424-L428 PolarHBondContact O-N 3.49Å
425	R	95.4	Very high	92.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-43.7	175.7	-67.6	175.7	-174.6	-68.7	-7.9	111.5	G267 F269 L305 D410 F411 Q421 I422 L428 M429	G267-R425 WeakPolarHBondContact O-CG 3.49Å; G267-R425 PolarHBondContact O-NH1 2.63Å; F269-R425 HydrophobicContact CD2-CG 4.06Å; F269-R425 HydrophobicContact CE2-CB 4.43Å; F269-R425 HydrophobicContact CE2-CG 3.7Å; L305-R425 HydrophobicContact CD2-CB 4.06Å; D410-R425 PolarHBondContact O-NH2 2.67Å; D410-R425 IonicContact OD2-CZ 2.66Å; D410-R425 IonicContact OD2-NH1 2.84Å; D410-R425 PolarHBondContact OD2-NH1 3.06Å; D410-R425 IonicContact OD2-NH2 3.22Å; D410-R425 PolarHBondContact OD2-NH2 3.02Å; F411-R425 VanDerWaalsContact CE1-NE 3.27Å; Q421-R425 WeakPolarHBondContact O-CG 3.33Å; Q421-R425 PolarHBondContact O-N 3.44Å; I422-R425 PolarHBondContact O-N 3Å; R425-L428 WeakPolarHBondContact O-CB 3.36Å; R425-L428 PolarHBondContact O-N 2.86Å; R425-M429 VanDerWaalsContact O-CG 3.28Å; R425-M429 WeakPolarHBondContact O-CG 3.41Å; R425-M429 PolarHBondContact O-N 3.25Å
426	L	95.2	Very high	93	Very high	10 Å²	10	42.3 Å²	42.3	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-50.2	173.3	-71.6	170	0	0	0	110.2	E302 L305 F306 I422 S423 L428 M429 Q430	E302-L426 HydrophobicContact CB-CD2 4.35Å; E302-L426 WeakPolarHBondContact O-CD2 3.38Å; L305-L426 HydrophobicContact CB-CD2 4.08Å; L305-L426 HydrophobicContact CD2-CD2 4.08Å; L305-L426 HydrophobicContact CD2-CG 4.27Å; L305-L426 HydrophobicContact CG-CD2 4.17Å; L305-L426 HydrophobicContact CG-CG 4.44Å; F306-L426 HydrophobicContact CB-CD1 4.16Å; F306-L426 HydrophobicContact CB-CD2 4.31Å; F306-L426 HydrophobicContact CD2-CD1 3.84Å; I422-L426 HydrophobicContact CG2-CD1 3.92Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 WeakPolarHBondContact O-CG 3.32Å; I422-L426 PolarHBondContact O-N 2.85Å; S423-L426 PolarHBondContact O-N 2.81Å; L426-L428 PolarHBondContact O-N 3.06Å; L426-M429 PolarHBondContact O-N 2.87Å; L426-Q430 VanDerWaalsContact O-CB 3.25Å; L426-Q430 WeakPolarHBondContact O-CB 3.48Å; L426-Q430 WeakPolarHBondContact O-CG 3.13Å; L426-Q430 PolarHBondContact O-N 2.86Å
427	N	96.1	Very high	93.2	Very high	94 Å²	94	39.3 Å²	39.3	50%	0.503	21%	0.213	S	C	.	.	H	α-helix	trans	-55.7	-40.1	176.3	-72.1	-25.7	0	0	0	112.6	S423 E424 S431	S423-N427 VanDerWaalsContact O-CG 3.27Å; S423-N427 PolarHBondContact O-N 2.79Å; S423-N427 PolarHBondContact O-ND2 2.72Å; E424-N427 PolarHBondContact O-N 2.85Å; N427-S431 WeakPolarHBondContact O-CB 3.14Å; N427-S431 PolarHBondContact O-N 3.41Å
428	L	97.4	Very high	93.5	Very high	30 Å²	30	34.7 Å²	34.7	16%	0.157	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-54.3	175.4	178.5	61.7	0	0	0	111.6	K264 F269 E424 R425 L426 Q430 S431 V432	K264-L428 HydrophobicContact CB-CD1 4.06Å; K264-L428 HydrophobicContact CB-CD2 4.39Å; K264-L428 HydrophobicContact CB-CG 4.18Å; K264-L428 HydrophobicContact CD-CD1 4.38Å; K264-L428 HydrophobicContact CG-CD1 3.99Å; K264-L428 HydrophobicContact CG-CD2 4.38Å; K264-L428 HydrophobicContact CG-CG 4.45Å; F269-L428 HydrophobicContact CD1-CD2 4.18Å; F269-L428 HydrophobicContact CD2-CD2 4.29Å; F269-L428 HydrophobicContact CE1-CD2 3.9Å; F269-L428 HydrophobicContact CE2-CB 4.49Å; F269-L428 HydrophobicContact CE2-CD2 4.02Å; F269-L428 HydrophobicContact CG-CD2 4.37Å; F269-L428 HydrophobicContact CZ-CB 4.02Å; F269-L428 HydrophobicContact CZ-CD2 3.82Å; F269-L428 HydrophobicContact CZ-CG 4.48Å; E424-L428 PolarHBondContact O-N 3.49Å; R425-L428 WeakPolarHBondContact O-CB 3.36Å; R425-L428 PolarHBondContact O-N 2.86Å; L426-L428 PolarHBondContact O-N 3.06Å; L428-Q430 VanDerWaalsContact C-N 3.27Å; L428-Q430 PolarHBondContact O-N 3.3Å; L428-S431 WeakPolarHBondContact O-CB 3.27Å; L428-S431 PolarHBondContact O-N 3.48Å; L428-S431 PolarHBondContact O-OG 3.39Å; L428-V432 PolarHBondContact O-N 3.03Å
429	M	97.7	Very high	93.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.5	-47	177.9	-68.7	172.8	79.3	0	0	110.4	K265 G267 L301 E302 L305 R425 L426 S431 V432 N433	K265-M429 WeakPolarHBondContact O-CE 3.32Å; G267-M429 VanDerWaalsContact CA-CG 3.43Å; G267-M429 VanDerWaalsContact N-CG 3.26Å; L301-M429 HydrophobicContact CB-CE 4Å; E302-M429 HydrophobicContact CB-CE 4.44Å; E302-M429 HydrophobicContact CG-CB 3.74Å; E302-M429 HydrophobicContact CG-CE 3.68Å; E302-M429 HydrophobicContact CG-SD 4.23Å; L305-M429 HydrophobicContact CD2-SD 3.79Å; R425-M429 VanDerWaalsContact O-CG 3.28Å; R425-M429 WeakPolarHBondContact O-CG 3.41Å; R425-M429 PolarHBondContact O-N 3.25Å; L426-M429 PolarHBondContact O-N 2.87Å; M429-S431 PolarHBondContact O-N 3.08Å; M429-V432 WeakPolarHBondContact O-CG2 3.3Å; M429-V432 PolarHBondContact O-N 3.09Å; M429-N433 WeakPolarHBondContact O-CB 3.19Å; M429-N433 PolarHBondContact O-N 2.96Å; M429-N433 PolarHBondContact O-ND2 2.89Å
430	Q	95.4	Very high	93.8	Very high	51 Å²	51	25.4 Å²	25.4	24%	0.238	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-23.6	179.5	-64.7	-178.8	-2.3	0	0	113	E302 L426 L428 R435 N471	E302-Q430 WeakPolarHBondContact OE2-CG 3.47Å; L426-Q430 VanDerWaalsContact O-CB 3.25Å; L426-Q430 WeakPolarHBondContact O-CB 3.48Å; L426-Q430 WeakPolarHBondContact O-CG 3.13Å; L426-Q430 PolarHBondContact O-N 2.86Å; L428-Q430 VanDerWaalsContact C-N 3.27Å; L428-Q430 PolarHBondContact O-N 3.3Å; Q430-R435 PolarHBondContact O-NH1 3.4Å; Q430-N471 PolarHBondContact OE1-ND2 3.34Å
431	S	96.1	Very high	93.7	Very high	66 Å²	66	23.9 Å²	23.9	46%	0.462	13%	0.129	S	C	.	.	H	α-helix	trans	-79.7	-16.1	175.1	75.7	0	0	0	0	114	N427 L428 M429	N427-S431 WeakPolarHBondContact O-CB 3.14Å; N427-S431 PolarHBondContact O-N 3.41Å; L428-S431 WeakPolarHBondContact O-CB 3.27Å; L428-S431 PolarHBondContact O-N 3.48Å; L428-S431 PolarHBondContact O-OG 3.39Å; M429-S431 PolarHBondContact O-N 3.08Å
432	V	96.9	Very high	93.7	Very high	24 Å²	24	24 Å²	24	15%	0.145	13%	0.13	C	C	.	.	H	α-helix	trans	-127.2	-13.6	-171.7	-59	0	0	0	0	115.1	K264 K265 L428 M429 P434 F469	K264-V432 VanDerWaalsContact C-CG2 3.47Å; K264-V432 HydrophobicContact CB-CB 4.42Å; K264-V432 HydrophobicContact CB-CG1 4.02Å; K264-V432 HydrophobicContact CB-CG2 3.79Å; K264-V432 HydrophobicContact CD-CG1 4.31Å; K265-V432 HydrophobicContact CB-CG2 4.41Å; K265-V432 HydrophobicContact CG-CG2 3.91Å; L428-V432 PolarHBondContact O-N 3.03Å; M429-V432 WeakPolarHBondContact O-CG2 3.3Å; M429-V432 PolarHBondContact O-N 3.09Å; V432-P434 WeakPolarHBondContact O-CD 3.5Å; V432-F469 VanDerWaalsContact C-CE1 3.45Å; V432-F469 WeakPolarHBondContact O-CE1 3.21Å
433	N	97.1	Very high	93.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.13	C	C	.	.	S	Bend	trans	-94.1	109.6	175.6	-70.6	-29.7	0	0	0	109.7	K265 F298 L299 E302 M429 R435	K265-N433 WeakPolarHBondContact CA-OD1 3.45Å; K265-N433 WeakPolarHBondContact CB-OD1 3.49Å; K265-N433 WeakPolarHBondContact CG-OD1 3.47Å; K265-N433 PolarHBondContact NZ-OD1 3.37Å; K265-N433 PolarHBondContact O-ND2 3.24Å; K265-N433 VanDerWaalsContact O-ND2 3.07Å; F298-N433 HydrophobicContact CB-CB 4.4Å; L299-N433 HydrophobicContact CD2-CB 4.19Å; E302-N433 WeakPolarHBondContact OE1-CB 3.29Å; E302-N433 PolarHBondContact OE1-ND2 3.08Å; M429-N433 WeakPolarHBondContact O-CB 3.19Å; M429-N433 PolarHBondContact O-N 2.96Å; M429-N433 PolarHBondContact O-ND2 2.89Å; N433-R435 WeakPolarHBondContact O-CD 3.4Å; N433-R435 PolarHBondContact O-NH1 3.31Å
434	P	95.5	Very high	93	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.013	12%	0.122	C	C	.	.			trans	-71.8	137.3	179.9	30.3	-34.1	0	0	0	110.7	L30 T295 V432 V437 P468 F469	L30-P434 HydrophobicContact CD2-CB 3.49Å; L30-P434 VanDerWaalsContact CD2-CB 3.49Å; L30-P434 HydrophobicContact CD2-CG 3.88Å; T295-P434 WeakPolarHBondContact CG2-O 3.43Å; V432-P434 WeakPolarHBondContact O-CD 3.5Å; P434-V437 HydrophobicContact CB-CG1 3.82Å; P434-V437 HydrophobicContact CG-CG1 3.55Å; P434-P468 CarbonylContact C-O 3.58Å; P434-P468 WeakPolarHBondContact CA-O 3.45Å; P434-P468 HydrophobicContact CB-CB 4.14Å; P434-F469 HydrophobicContact CB-CD1 4.3Å; P434-F469 HydrophobicContact CB-CE1 3.96Å; P434-F469 HydrophobicContact CG-CE1 4.47Å
435	R	92.5	Very high	92.7	Very high	24 Å²	24	22.5 Å²	22.5	9%	0.091	12%	0.119	C	C	.	.	S	Bend	trans	-86.2	-29.3	174.5	-78	58.1	176.6	-154.3	-3.5	110.4	L299 E302 Q430 N433 P468 F469 N471	L299-R435 HydrophobicContact CD1-CG 4.31Å; L299-R435 HydrophobicContact CD2-CG 3.98Å; E302-R435 IonicContact OE1-NH2 2.88Å; E302-R435 IonicContact OE2-CZ 2.91Å; E302-R435 IonicContact OE2-NE 3.32Å; E302-R435 IonicContact OE2-NH2 3.29Å; E302-R435 PolarHBondContact OE2-NH2 2.92Å; Q430-R435 PolarHBondContact O-NH1 3.4Å; N433-R435 WeakPolarHBondContact O-CD 3.4Å; N433-R435 PolarHBondContact O-NH1 3.31Å; R435-P468 PolarHBondContact N-O 3.45Å; R435-F469 PolarHBondContact NH1-O 3.12Å; R435-N471 VanDerWaalsContact CZ-OD1 3.24Å; R435-N471 PolarHBondContact NH2-OD1 3.46Å
436	V	91.4	Very high	92.3	Very high	10 Å²	10	22.7 Å²	22.7	6%	0.061	12%	0.12	C	C	.	.			trans	-125.2	118.4	177.8	-172	0	0	0	0	108.1	L465 P468 L483 R486	V436-L465 HydrophobicContact CG1-CD2 3.93Å; V436-P468 WeakPolarHBondContact O-CB 3.21Å; V436-L483 HydrophobicContact CG1-CD2 4.34Å; V436-R486 HydrophobicContact CG2-CG 4.42Å
437	V	92.6	Very high	91.7	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.03	12%	0.119	C	C	.	.			trans	-118.1	157.8	163.5	-64.7	0	0	0	0	108	F175 T295 P434 R439	F175-V437 HydrophobicContact CB-CB 4.49Å; F175-V437 HydrophobicContact CB-CG2 4.25Å; F175-V437 HydrophobicContact CD1-CB 3.84Å; F175-V437 HydrophobicContact CD1-CG1 4.14Å; F175-V437 HydrophobicContact CD1-CG2 4.34Å; F175-V437 HydrophobicContact CE1-CB 4.17Å; F175-V437 HydrophobicContact CE1-CG1 4.23Å; F175-V437 HydrophobicContact CG-CB 4.08Å; F175-V437 HydrophobicContact CG-CG2 4.36Å; T295-V437 HydrophobicContact CG2-CG1 4.5Å; T295-V437 HydrophobicContact CG2-CG2 4.36Å; P434-V437 HydrophobicContact CB-CG1 3.82Å; P434-V437 HydrophobicContact CG-CG1 3.55Å; V437-R439 HydrophobicContact CG2-CG 4.1Å; V437-R439 PolarHBondContact O-N 3.3Å
438	L	91.7	Very high	91.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.			trans	-78.7	75.6	-177.9	-179.6	59.6	0	0	0	110.2	F19 T23 A26 F175 A443 L461 L465	F19-L438 HydrophobicContact CD2-CD1 4.19Å; F19-L438 HydrophobicContact CD2-CD2 3.73Å; F19-L438 HydrophobicContact CD2-CG 4.1Å; F19-L438 HydrophobicContact CE2-CD1 4.08Å; F19-L438 HydrophobicContact CE2-CD2 3.64Å; F19-L438 HydrophobicContact CE2-CG 3.67Å; T23-L438 HydrophobicContact CG2-CD2 4.46Å; T23-L438 WeakPolarHBondContact OG1-CD2 3.45Å; A26-L438 HydrophobicContact CB-CB 4.37Å; F175-L438 HydrophobicContact CD2-CB 4.33Å; F175-L438 WeakPolarHBondContact CD2-O 3.29Å; F175-L438 HydrophobicContact CE2-CB 4.18Å; L438-A443 HydrophobicContact CD1-CB 4.17Å; L438-L461 HydrophobicContact CD1-CD1 4.34Å; L438-L461 HydrophobicContact CD1-CD2 3.8Å; L438-L461 HydrophobicContact CD1-CG 4.35Å; L438-L465 HydrophobicContact CB-CD1 4.24Å; L438-L465 HydrophobicContact CB-CD2 3.96Å; L438-L465 HydrophobicContact CD1-CD1 4Å; L438-L465 HydrophobicContact CD2-CD1 4.45Å; L438-L465 HydrophobicContact CG-CD1 4.45Å
439	R	90.6	Very high	90.6	Very high	12 Å²	12	22.5 Å²	22.5	5%	0.045	12%	0.117	C	C	.	.			trans	-59.5	147.5	173.5	-57.1	-58.7	-157.6	-171.8	15.1	110.4	M176 D177 D293 T295 V437 Y441 L442 A443	M176-R439 PolarHBondContact O-NH1 3.33Å; M176-R439 PolarHBondContact O-NH2 2.98Å; D177-R439 VanDerWaalsContact OD1-CD 3.23Å; D177-R439 WeakPolarHBondContact OD1-CD 3.31Å; D177-R439 IonicContact OD1-CZ 3.65Å; D177-R439 IonicContact OD1-NE 3.67Å; D293-R439 IonicContact OD1-NH2 2.68Å; D293-R439 PolarHBondContact OD1-NH2 3.46Å; D293-R439 IonicContact OD2-NH2 2.69Å; D293-R439 PolarHBondContact OD2-NH2 3.34Å; T295-R439 VanDerWaalsContact OG1-CZ 3.24Å; T295-R439 PolarHBondContact OG1-NH1 3.45Å; T295-R439 PolarHBondContact OG1-NH2 3.27Å; V437-R439 HydrophobicContact CG2-CG 4.1Å; V437-R439 PolarHBondContact O-N 3.3Å; R439-Y441 VanDerWaalsContact C-N 3.28Å; R439-Y441 HydrophobicContact CB-CD1 3.58Å; R439-Y441 HydrophobicContact CB-CE1 3.54Å; R439-Y441 HydrophobicContact CG-CD1 4.32Å; R439-Y441 HydrophobicContact CG-CE1 3.81Å; R439-Y441 PolarHBondContact O-N 2.96Å; R439-L442 HydrophobicContact CB-CB 4.49Å; R439-L442 HydrophobicContact CB-CD1 3.98Å; R439-L442 HydrophobicContact CB-CG 4.09Å; R439-L442 HydrophobicContact CG-CD1 4.11Å; R439-L442 PolarHBondContact O-N 3.48Å; R439-A443 PolarHBondContact O-N 3.45Å
440	N	87.7	Confident	89.9	Confident	12 Å²	12	22.7 Å²	22.7	6%	0.064	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-41	-179.6	-79.5	-1.5	0	0	0	111.9	L442 A443 E444 L498 V500	N440-L442 PolarHBondContact O-N 3.13Å; N440-A443 WeakPolarHBondContact O-CB 3.05Å; N440-A443 PolarHBondContact O-N 3.19Å; N440-E444 PolarHBondContact O-N 2.86Å; N440-L498 VanDerWaalsContact C-CD2 3.45Å; N440-L498 HydrophobicContact CB-CD2 3.94Å; N440-L498 HydrophobicContact CB-CG 4.34Å; N440-L498 PolarHBondContact ND2-O 2.78Å; N440-L498 WeakPolarHBondContact O-CD2 3.37Å; N440-V500 HydrophobicContact CB-CG2 3.98Å; N440-V500 WeakPolarHBondContact O-CG2 3.35Å
441	Y	88.6	Confident	89.1	Confident	20 Å²	20	23.8 Å²	23.8	8%	0.078	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-38.6	-179.3	82	-93.2	0	0	0	112.7	R439 A443 E444 E445 P491 P492 S495	R439-Y441 VanDerWaalsContact C-N 3.28Å; R439-Y441 HydrophobicContact CB-CD1 3.58Å; R439-Y441 HydrophobicContact CB-CE1 3.54Å; R439-Y441 HydrophobicContact CG-CD1 4.32Å; R439-Y441 HydrophobicContact CG-CE1 3.81Å; R439-Y441 PolarHBondContact O-N 2.96Å; Y441-A443 VanDerWaalsContact C-N 3.28Å; Y441-A443 PolarHBondContact O-N 3.38Å; Y441-E444 PolarHBondContact O-N 3.26Å; Y441-E445 WeakPolarHBondContact O-CG 3.48Å; Y441-E445 PolarHBondContact O-N 3.01Å; Y441-P491 HydrophobicContact CD1-CB 3.85Å; Y441-P491 HydrophobicContact CD1-CG 4.25Å; Y441-P491 HydrophobicContact CE1-CB 4.07Å; Y441-P491 HydrophobicContact CE1-CG 4.13Å; Y441-P492 HydrophobicContact CD2-CG 4.04Å; Y441-P492 HydrophobicContact CG-CG 4.2Å; Y441-S495 VanDerWaalsContact CB-CB 3.42Å
442	L	89.7	Confident	88.6	Confident	15 Å²	15	29.4 Å²	29.4	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-39.6	176.4	-67.4	174.1	0	0	0	111	R439 N440 A446 L461 L483	R439-L442 HydrophobicContact CB-CB 4.49Å; R439-L442 HydrophobicContact CB-CD1 3.98Å; R439-L442 HydrophobicContact CB-CG 4.09Å; R439-L442 HydrophobicContact CG-CD1 4.11Å; R439-L442 PolarHBondContact O-N 3.48Å; N440-L442 PolarHBondContact O-N 3.13Å; L442-A446 WeakPolarHBondContact O-CB 3.28Å; L442-A446 PolarHBondContact O-N 3.01Å; L442-L461 HydrophobicContact CB-CD1 4.1Å; L442-L461 HydrophobicContact CB-CD2 4.27Å; L442-L461 HydrophobicContact CD1-CD1 4.21Å; L442-L483 HydrophobicContact CD1-CD2 4.14Å; L442-L483 HydrophobicContact CD2-CD2 3.98Å; L442-L483 HydrophobicContact CD2-CG 4.4Å
443	A	85.4	Confident	88	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-45.3	174.9	0	0	0	0	0	112.1	F19 L438 R439 N440 Y441 E445 A446 I447	F19-A443 HydrophobicContact CD2-CB 3.18Å; F19-A443 HydrophobicContact CE2-CB 3.17Å; F19-A443 HydrophobicContact CG-CB 4.12Å; F19-A443 HydrophobicContact CZ-CB 4.1Å; L438-A443 HydrophobicContact CD1-CB 4.17Å; R439-A443 PolarHBondContact O-N 3.45Å; N440-A443 WeakPolarHBondContact O-CB 3.05Å; N440-A443 PolarHBondContact O-N 3.19Å; Y441-A443 VanDerWaalsContact C-N 3.28Å; Y441-A443 PolarHBondContact O-N 3.38Å; A443-E445 PolarHBondContact O-N 3.11Å; A443-A446 PolarHBondContact O-N 3Å; A443-I447 WeakPolarHBondContact O-CB 3.29Å; A443-I447 WeakPolarHBondContact O-CD1 3.48Å; A443-I447 WeakPolarHBondContact O-CG1 3.23Å; A443-I447 PolarHBondContact O-N 2.99Å
444	E	85.6	Confident	87.5	Confident	32 Å²	32	34 Å²	34	15%	0.15	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-38.9	179.1	-180	66.2	-169	0	0	112.5	N440 Y441 I447 K448 W494 L498 V500	N440-E444 PolarHBondContact O-N 2.86Å; Y441-E444 PolarHBondContact O-N 3.26Å; E444-I447 PolarHBondContact O-N 3.48Å; E444-K448 HydrophobicContact CG-CD 4.19Å; E444-K448 WeakPolarHBondContact O-CB 3.12Å; E444-K448 WeakPolarHBondContact O-CG 3.45Å; E444-K448 PolarHBondContact O-N 3.45Å; E444-K448 WeakPolarHBondContact OE1-CE 3.32Å; E444-K448 IonicContact OE1-NZ 2.72Å; E444-K448 PolarHBondContact OE1-NZ 3.25Å; E444-W494 HydrophobicContact CB-CH2 4.35Å; E444-W494 HydrophobicContact CB-CZ3 4.48Å; E444-W494 HydrophobicContact CG-CH2 4.18Å; E444-W494 HydrophobicContact CG-CZ3 4.01Å; E444-L498 HydrophobicContact CB-CD1 4.24Å; E444-L498 HydrophobicContact CB-CD2 3.54Å; E444-L498 HydrophobicContact CB-CG 4.49Å; E444-L498 HydrophobicContact CG-CD1 3.94Å; E444-L498 HydrophobicContact CG-CD2 4.01Å; E444-V500 HydrophobicContact CB-CG2 4.43Å
445	E	88.3	Confident	87.1	Confident	59 Å²	59	38.5 Å²	38.5	28%	0.276	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-45.7	173.4	-74.3	177.2	173.6	0	0	111.9	Y441 A443 I447 K448 S449 W494	Y441-E445 WeakPolarHBondContact O-CG 3.48Å; Y441-E445 PolarHBondContact O-N 3.01Å; A443-E445 PolarHBondContact O-N 3.11Å; E445-I447 VanDerWaalsContact C-N 3.29Å; E445-I447 PolarHBondContact O-N 3.24Å; E445-K448 PolarHBondContact O-N 3.01Å; E445-S449 WeakPolarHBondContact O-CB 3.48Å; E445-S449 PolarHBondContact O-N 3.12Å; E445-S449 PolarHBondContact O-OG 2.72Å; E445-W494 HydrophobicContact CG-CH2 4.2Å; E445-W494 HydrophobicContact CG-CZ2 4.04Å
446	A	86.5	Confident	86.9	Confident	5 Å²	5	41.1 Å²	41.1	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-39.3	174.6	0	0	0	0	0	111.5	L442 A443 A450 V457 A458 L461	L442-A446 WeakPolarHBondContact O-CB 3.28Å; L442-A446 PolarHBondContact O-N 3.01Å; A443-A446 PolarHBondContact O-N 3Å; A446-A450 VanDerWaalsContact O-CB 3.26Å; A446-A450 WeakPolarHBondContact O-CB 3.44Å; A446-A450 PolarHBondContact O-N 3.26Å; A446-V457 HydrophobicContact CB-CG1 4.26Å; A446-A458 HydrophobicContact CB-CB 4.13Å; A446-L461 HydrophobicContact CB-CD2 3.91Å
447	I	82.4	Confident	86.7	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-51.9	177.9	-74.3	160.1	0	0	0	111.1	A15 R16 A443 E444 E445 S449 A450 D451 V500	A15-I447 HydrophobicContact CB-CB 3.99Å; A15-I447 HydrophobicContact CB-CG1 3.88Å; A15-I447 HydrophobicContact CB-CG2 3.74Å; A15-I447 WeakPolarHBondContact O-CG1 3.36Å; R16-I447 HydrophobicContact CG-CD1 3.89Å; R16-I447 HydrophobicContact CG-CG1 4.46Å; A443-I447 WeakPolarHBondContact O-CB 3.29Å; A443-I447 WeakPolarHBondContact O-CD1 3.48Å; A443-I447 WeakPolarHBondContact O-CG1 3.23Å; A443-I447 PolarHBondContact O-N 2.99Å; E444-I447 PolarHBondContact O-N 3.48Å; E445-I447 VanDerWaalsContact C-N 3.29Å; E445-I447 PolarHBondContact O-N 3.24Å; I447-S449 VanDerWaalsContact C-N 3.26Å; I447-S449 PolarHBondContact O-N 3.34Å; I447-A450 PolarHBondContact O-N 3.03Å; I447-D451 WeakPolarHBondContact O-CB 3.35Å; I447-D451 PolarHBondContact O-N 3.31Å; I447-V500 HydrophobicContact CD1-CG1 4.13Å
448	K	85.6	Confident	86.4	Confident	97 Å²	97	42 Å²	42	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-61	-34.8	-179.7	-78.6	172.4	168.2	146.1	0	112.8	E444 E445 K452	E444-K448 HydrophobicContact CG-CD 4.19Å; E444-K448 WeakPolarHBondContact O-CB 3.12Å; E444-K448 WeakPolarHBondContact O-CG 3.45Å; E444-K448 PolarHBondContact O-N 3.45Å; E444-K448 WeakPolarHBondContact OE1-CE 3.32Å; E444-K448 IonicContact OE1-NZ 2.72Å; E444-K448 PolarHBondContact OE1-NZ 3.25Å; E445-K448 PolarHBondContact O-N 3.01Å; K448-K452 WeakPolarHBondContact O-CG 3.27Å
449	S	85.7	Confident	86.2	Confident	27 Å²	27	46.4 Å²	46.4	19%	0.189	24%	0.24	C	C	.	.	H	α-helix	trans	-72.9	-45.8	177.3	-53.2	0	0	0	0	110.9	E445 I447 D451 K452 G453 D454	E445-S449 WeakPolarHBondContact O-CB 3.48Å; E445-S449 PolarHBondContact O-N 3.12Å; E445-S449 PolarHBondContact O-OG 2.72Å; I447-S449 VanDerWaalsContact C-N 3.26Å; I447-S449 PolarHBondContact O-N 3.34Å; S449-D451 VanDerWaalsContact C-N 3.32Å; S449-D451 PolarHBondContact O-N 3.48Å; S449-K452 CarbonylContact O-C 3.55Å; S449-K452 WeakPolarHBondContact O-CA 3.37Å; S449-K452 WeakPolarHBondContact O-CB 3.22Å; S449-K452 PolarHBondContact O-N 3.39Å; S449-G453 PolarHBondContact O-N 2.87Å; S449-D454 CarbonylContact C-O 3.3Å; S449-D454 WeakPolarHBondContact CB-O 3.39Å; S449-D454 PolarHBondContact O-N 3.1Å; S449-D454 VanDerWaalsContact O-O 3.11Å
450	A	83.5	Confident	86.2	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.033	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-36.2	178.2	0	0	0	0	0	112.8	A15 A446 I447 K452 G453 D454 Y455	A15-A450 HydrophobicContact CB-CB 4.2Å; A446-A450 VanDerWaalsContact O-CB 3.26Å; A446-A450 WeakPolarHBondContact O-CB 3.44Å; A446-A450 PolarHBondContact O-N 3.26Å; I447-A450 PolarHBondContact O-N 3.03Å; A450-K452 PolarHBondContact O-N 2.64Å; A450-G453 WeakPolarHBondContact O-CA 3.3Å; A450-G453 PolarHBondContact O-N 2.76Å; A450-D454 WeakPolarHBondContact CA-O 3.39Å; A450-D454 PolarHBondContact N-O 3.01Å; A450-D454 VanDerWaalsContact N-O 3.13Å; A450-Y455 HydrophobicContact CB-CD1 3.92Å; A450-Y455 HydrophobicContact CB-CE1 3.83Å
451	D	78.4	Confident	86.2	Confident	74 Å²	74	48.3 Å²	48.3	40%	0.396	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-27.4	174.1	-80.3	-6.8	0	0	0	112.1	R13 I447 S449 G453	R13-D451 IonicContact CZ-OD2 3.79Å; R13-D451 IonicContact NH1-OD2 4Å; R13-D451 PolarHBondContact NH1-OD2 2.98Å; I447-D451 WeakPolarHBondContact O-CB 3.35Å; I447-D451 PolarHBondContact O-N 3.31Å; S449-D451 VanDerWaalsContact C-N 3.32Å; S449-D451 PolarHBondContact O-N 3.48Å; D451-G453 VanDerWaalsContact C-N 3.27Å
452	K	85.1	Confident	86.2	Confident	183 Å²	183	49.7 Å²	49.7	80%	0.796	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	4.1	173	-63.1	172	-175.2	179.2	0	113.2	K448 S449 A450 D454	K448-K452 WeakPolarHBondContact O-CG 3.27Å; S449-K452 CarbonylContact O-C 3.55Å; S449-K452 WeakPolarHBondContact O-CA 3.37Å; S449-K452 WeakPolarHBondContact O-CB 3.22Å; S449-K452 PolarHBondContact O-N 3.39Å; A450-K452 PolarHBondContact O-N 2.64Å; K452-D454 VanDerWaalsContact C-N 3.33Å
453	G	83.8	Confident	86.2	Confident	51 Å²	51	52.6 Å²	52.6	53%	0.526	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-0.1	-176.7	0	0	0	0	0	114.8	S449 A450 D451 Y455	S449-G453 PolarHBondContact O-N 2.87Å; A450-G453 WeakPolarHBondContact O-CA 3.3Å; A450-G453 PolarHBondContact O-N 2.76Å; D451-G453 VanDerWaalsContact C-N 3.27Å; G453-Y455 WeakPolarHBondContact O-CD2 3.4Å
454	D	87.1	Confident	86.5	Confident	71 Å²	71	52.7 Å²	52.7	38%	0.38	27%	0.272	S	S	.	.			trans	-94.7	104.6	176.5	-179.5	14.4	0	0	0	111.2	S449 A450 K452 T456	S449-D454 CarbonylContact C-O 3.3Å; S449-D454 WeakPolarHBondContact CB-O 3.39Å; S449-D454 PolarHBondContact O-N 3.1Å; S449-D454 VanDerWaalsContact O-O 3.11Å; A450-D454 WeakPolarHBondContact CA-O 3.39Å; A450-D454 PolarHBondContact N-O 3.01Å; A450-D454 VanDerWaalsContact N-O 3.13Å; K452-D454 VanDerWaalsContact C-N 3.33Å; D454-T456 WeakPolarHBondContact OD1-CB 3.31Å; D454-T456 PolarHBondContact OD1-N 2.83Å; D454-T456 PolarHBondContact OD1-OG1 3.5Å
455	Y	86.7	Confident	86.8	Confident	97 Å²	97	51.2 Å²	51.2	38%	0.38	27%	0.265	S	S	.	.			trans	-91.2	2.4	178.9	-63.5	-89.2	0	0	0	113.2	K14 A450 G453 V457 A458 Q459	K14-Y455 PolarHBondContact NZ-OH 2.83Å; A450-Y455 HydrophobicContact CB-CD1 3.92Å; A450-Y455 HydrophobicContact CB-CE1 3.83Å; G453-Y455 WeakPolarHBondContact O-CD2 3.4Å; Y455-V457 PolarHBondContact O-N 2.97Å; Y455-A458 PolarHBondContact O-N 2.91Å; Y455-Q459 WeakPolarHBondContact O-CB 3.45Å; Y455-Q459 PolarHBondContact O-N 3.06Å
456	T	88.7	Confident	87	Confident	78 Å²	78	50 Å²	50	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-45.8	-176	-51.1	0	0	0	0	111.5	D454 A458 Q459 Q460	D454-T456 WeakPolarHBondContact OD1-CB 3.31Å; D454-T456 PolarHBondContact OD1-N 2.83Å; D454-T456 PolarHBondContact OD1-OG1 3.5Å; T456-A458 VanDerWaalsContact C-N 3.32Å; T456-A458 PolarHBondContact O-N 2.94Å; T456-Q459 PolarHBondContact O-N 2.85Å; T456-Q460 WeakPolarHBondContact O-CG 3.48Å; T456-Q460 PolarHBondContact O-N 3.09Å
457	V	87.7	Confident	87.3	Confident	33 Å²	33	52.4 Å²	52.4	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-42.9	178.1	-179.7	0	0	0	0	111.1	A446 Y455 Q460 L461	A446-V457 HydrophobicContact CB-CG1 4.26Å; Y455-V457 PolarHBondContact O-N 2.97Å; V457-Q460 PolarHBondContact O-N 2.91Å; V457-L461 WeakPolarHBondContact O-CB 3.27Å; V457-L461 PolarHBondContact O-N 2.98Å
458	A	85.9	Confident	87.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-42.8	177.9	0	0	0	0	0	111.7	L18 Y22 A446 Y455 T456 L461 F462	L18-A458 HydrophobicContact CD2-CB 3.69Å; Y22-A458 HydrophobicContact CE2-CB 4.05Å; Y22-A458 WeakPolarHBondContact CE2-O 3.46Å; Y22-A458 PolarHBondContact OH-O 3.32Å; Y22-A458 VanDerWaalsContact OH-O 3.14Å; A446-A458 HydrophobicContact CB-CB 4.13Å; Y455-A458 PolarHBondContact O-N 2.91Å; T456-A458 VanDerWaalsContact C-N 3.32Å; T456-A458 PolarHBondContact O-N 2.94Å; A458-L461 PolarHBondContact O-N 3.29Å; A458-F462 WeakPolarHBondContact O-CB 3.2Å; A458-F462 PolarHBondContact O-N 3.2Å
459	Q	88	Confident	88.2	Confident	94 Å²	94	50.3 Å²	50.3	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-46.4	177	-173	58.2	50.7	0	0	111.7	Y455 T456 L461 F462 D463	Y455-Q459 WeakPolarHBondContact O-CB 3.45Å; Y455-Q459 PolarHBondContact O-N 3.06Å; T456-Q459 PolarHBondContact O-N 2.85Å; Q459-L461 VanDerWaalsContact C-N 3.32Å; Q459-L461 PolarHBondContact O-N 3.45Å; Q459-F462 WeakPolarHBondContact O-CB 3.44Å; Q459-F462 PolarHBondContact O-N 3.07Å; Q459-D463 PolarHBondContact NE2-OD1 3.21Å; Q459-D463 PolarHBondContact NE2-OD2 2.86Å; Q459-D463 VanDerWaalsContact O-CG 3.26Å; Q459-D463 PolarHBondContact O-N 2.73Å
460	Q	89	Confident	88.4	Confident	62 Å²	62	55.3 Å²	55.3	29%	0.29	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-41.3	176	-72.3	176.6	-2.3	0	0	112.3	T456 V457 S464 L483	T456-Q460 WeakPolarHBondContact O-CG 3.48Å; T456-Q460 PolarHBondContact O-N 3.09Å; V457-Q460 PolarHBondContact O-N 2.91Å; Q460-S464 WeakPolarHBondContact O-CB 3.38Å; Q460-S464 PolarHBondContact O-N 2.57Å; Q460-S464 PolarHBondContact O-OG 3.27Å; Q460-L483 HydrophobicContact CB-CD1 4.41Å
461	L	89.1	Confident	88.2	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-47.2	175.3	177.5	59	0	0	0	110.9	Y22 L438 L442 A446 V457 A458 Q459 D463 S464 L465 L483	Y22-L461 HydrophobicContact CD2-CD2 4.24Å; Y22-L461 HydrophobicContact CD2-CG 4.35Å; L438-L461 HydrophobicContact CD1-CD1 4.34Å; L438-L461 HydrophobicContact CD1-CD2 3.8Å; L438-L461 HydrophobicContact CD1-CG 4.35Å; L442-L461 HydrophobicContact CB-CD1 4.1Å; L442-L461 HydrophobicContact CB-CD2 4.27Å; L442-L461 HydrophobicContact CD1-CD1 4.21Å; A446-L461 HydrophobicContact CB-CD2 3.91Å; V457-L461 WeakPolarHBondContact O-CB 3.27Å; V457-L461 PolarHBondContact O-N 2.98Å; A458-L461 PolarHBondContact O-N 3.29Å; Q459-L461 VanDerWaalsContact C-N 3.32Å; Q459-L461 PolarHBondContact O-N 3.45Å; L461-D463 PolarHBondContact O-N 3.24Å; L461-S464 PolarHBondContact O-N 2.84Å; L461-L465 HydrophobicContact CD1-CD1 3.98Å; L461-L465 HydrophobicContact CD1-CG 4.11Å; L461-L465 HydrophobicContact CG-CD1 3.91Å; L461-L465 HydrophobicContact CG-CG 4.47Å; L461-L465 WeakPolarHBondContact O-CG 3.49Å; L461-L465 PolarHBondContact O-N 2.81Å; L461-L483 HydrophobicContact CB-CD1 3.93Å; L461-L483 HydrophobicContact CD1-CD1 4.31Å; L461-L483 HydrophobicContact CD1-CD2 3.77Å
462	F	88.9	Confident	87.9	Confident	50 Å²	50	57 Å²	57	22%	0.219	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-49.7	177.4	179.4	-94.7	0	0	0	111.9	Y22 K25 A458 Q459 S464 L465 T466	Y22-F462 AromaticContact CD1-CD2 3.69Å; Y22-F462 HydrophobicContact CD1-CD2 3.69Å; Y22-F462 HydrophobicContact CD1-CE2 4.42Å; Y22-F462 HydrophobicContact CD2-CB 4.43Å; Y22-F462 HydrophobicContact CE1-CB 4.06Å; Y22-F462 AromaticContact CE1-CD2 3.5Å; Y22-F462 HydrophobicContact CE1-CD2 3.5Å; Y22-F462 HydrophobicContact CE1-CE2 4.31Å; Y22-F462 HydrophobicContact CE1-CG 4.16Å; Y22-F462 HydrophobicContact CE2-CB 3.89Å; Y22-F462 HydrophobicContact CG-CD2 4.34Å; K25-F462 HydrophobicContact CB-CE2 4.2Å; K25-F462 HydrophobicContact CD-CE2 4.13Å; K25-F462 HydrophobicContact CD-CZ 4.22Å; K25-F462 HydrophobicContact CG-CD2 4.22Å; K25-F462 HydrophobicContact CG-CE2 3.67Å; K25-F462 HydrophobicContact CG-CZ 4.14Å; A458-F462 WeakPolarHBondContact O-CB 3.2Å; A458-F462 PolarHBondContact O-N 3.2Å; Q459-F462 WeakPolarHBondContact O-CB 3.44Å; Q459-F462 PolarHBondContact O-N 3.07Å; F462-S464 VanDerWaalsContact C-N 3.29Å; F462-S464 PolarHBondContact O-N 3.01Å; F462-L465 PolarHBondContact O-N 3.42Å; F462-T466 HydrophobicContact CD1-CG2 4.22Å; F462-T466 HydrophobicContact CE1-CG2 4.05Å; F462-T466 WeakPolarHBondContact O-CG2 3.39Å; F462-T466 PolarHBondContact O-N 2.88Å; F462-T466 VanDerWaalsContact O-N 3.13Å
463	D	89.7	Confident	87	Confident	75 Å²	75	52.3 Å²	52.3	40%	0.401	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-41.2	-179	-66.5	-26.9	0	0	0	111	Q459 L461 L465 T466	Q459-D463 PolarHBondContact NE2-OD1 3.21Å; Q459-D463 PolarHBondContact NE2-OD2 2.86Å; Q459-D463 VanDerWaalsContact O-CG 3.26Å; Q459-D463 PolarHBondContact O-N 2.73Å; L461-D463 PolarHBondContact O-N 3.24Å; D463-L465 PolarHBondContact O-N 3.05Å; D463-T466 PolarHBondContact O-N 3.33Å; D463-T466 VanDerWaalsContact O-N 3.16Å; D463-T466 PolarHBondContact O-OG1 2.98Å
464	S	90.1	Very high	85.8	Confident	7 Å²	7	55.6 Å²	55.6	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-42.2	176.3	-57.4	0	0	0	0	112.3	Q460 L461 F462 T466 T467 L483	Q460-S464 WeakPolarHBondContact O-CB 3.38Å; Q460-S464 PolarHBondContact O-N 2.57Å; Q460-S464 PolarHBondContact O-OG 3.27Å; L461-S464 PolarHBondContact O-N 2.84Å; F462-S464 VanDerWaalsContact C-N 3.29Å; F462-S464 PolarHBondContact O-N 3.01Å; S464-T466 PolarHBondContact O-N 3.15Å; S464-T467 CarbonylContact O-C 3.58Å; S464-T467 PolarHBondContact O-N 3.31Å; S464-L483 PolarHBondContact OG-O 3.14Å
465	L	91.9	Very high	84.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-68	-16.2	176.4	-67.1	168.6	0	0	0	113.5	A26 Y29 V436 L438 L461 F462 D463 T467	A26-L465 HydrophobicContact CB-CB 4.37Å; A26-L465 HydrophobicContact CB-CD1 4.37Å; A26-L465 HydrophobicContact CB-CD2 3.91Å; A26-L465 HydrophobicContact CB-CG 4.44Å; Y29-L465 WeakPolarHBondContact CB-O 3.21Å; V436-L465 HydrophobicContact CG1-CD2 3.93Å; L438-L465 HydrophobicContact CB-CD1 4.24Å; L438-L465 HydrophobicContact CB-CD2 3.96Å; L438-L465 HydrophobicContact CD1-CD1 4Å; L438-L465 HydrophobicContact CD2-CD1 4.45Å; L438-L465 HydrophobicContact CG-CD1 4.45Å; L461-L465 HydrophobicContact CD1-CD1 3.98Å; L461-L465 HydrophobicContact CD1-CG 4.11Å; L461-L465 HydrophobicContact CG-CD1 3.91Å; L461-L465 HydrophobicContact CG-CG 4.47Å; L461-L465 WeakPolarHBondContact O-CG 3.49Å; L461-L465 PolarHBondContact O-N 2.81Å; F462-L465 PolarHBondContact O-N 3.42Å; D463-L465 PolarHBondContact O-N 3.05Å; L465-T467 VanDerWaalsContact C-N 3.29Å
466	T	92.7	Very high	82.6	Confident	32 Å²	32	55.5 Å²	55.5	20%	0.196	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.3	174.4	72.8	0	0	0	0	114.1	K25 Y29 F462 D463 S464	K25-T466 HydrophobicContact CG-CG2 4.33Å; Y29-T466 WeakPolarHBondContact CD1-O 3.41Å; Y29-T466 VanDerWaalsContact CD2-CA 3.42Å; Y29-T466 HydrophobicContact CD2-CG2 4.24Å; Y29-T466 WeakPolarHBondContact CE1-O 3.03Å; Y29-T466 HydrophobicContact CE2-CG2 3.54Å; F462-T466 HydrophobicContact CD1-CG2 4.22Å; F462-T466 HydrophobicContact CE1-CG2 4.05Å; F462-T466 WeakPolarHBondContact O-CG2 3.39Å; F462-T466 PolarHBondContact O-N 2.88Å; F462-T466 VanDerWaalsContact O-N 3.13Å; D463-T466 PolarHBondContact O-N 3.33Å; D463-T466 VanDerWaalsContact O-N 3.16Å; D463-T466 PolarHBondContact O-OG1 2.98Å; S464-T466 PolarHBondContact O-N 3.15Å
467	T	92.9	Very high	80.6	Confident	56 Å²	56	57.5 Å²	57.5	34%	0.344	31%	0.31	S	S	.	.	S	Bend	trans	-135.2	57.2	-178.4	48.6	0	0	0	0	110	S464 L465 F469 K470 R486	S464-T467 CarbonylContact O-C 3.58Å; S464-T467 PolarHBondContact O-N 3.31Å; L465-T467 VanDerWaalsContact C-N 3.29Å; T467-F469 PolarHBondContact O-N 3.39Å; T467-F469 VanDerWaalsContact O-N 3.1Å; T467-K470 PolarHBondContact O-N 3.25Å; T467-K470 VanDerWaalsContact O-N 3.09Å; T467-R486 PolarHBondContact O-NH1 3.29Å; T467-R486 PolarHBondContact OG1-NH2 3.33Å
468	P	93.8	Very high	78.8	Confident	4 Å²	4	60.8 Å²	60.8	3%	0.026	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.3	-168.7	26.6	-34.6	0	0	0	113.1	L30 P434 R435 V436	L30-P468 HydrophobicContact CD2-CB 3.91Å; L30-P468 HydrophobicContact CD2-CG 4Å; L30-P468 HydrophobicContact CG-CG 4.46Å; P434-P468 CarbonylContact C-O 3.58Å; P434-P468 WeakPolarHBondContact CA-O 3.45Å; P434-P468 HydrophobicContact CB-CB 4.14Å; R435-P468 PolarHBondContact N-O 3.45Å; V436-P468 WeakPolarHBondContact O-CB 3.21Å
469	F	94.6	Very high	77	Confident	57 Å²	57	68.1 Å²	68.1	25%	0.25	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.5	-179.5	-51.8	-70	0	0	0	114.4	Y29 L30 V432 P434 R435 T467 N471	Y29-F469 WeakPolarHBondContact O-CE2 3.04Å; L30-F469 HydrophobicContact CD2-CE1 4.45Å; L30-F469 HydrophobicContact CD2-CZ 4.05Å; V432-F469 VanDerWaalsContact C-CE1 3.45Å; V432-F469 WeakPolarHBondContact O-CE1 3.21Å; P434-F469 HydrophobicContact CB-CD1 4.3Å; P434-F469 HydrophobicContact CB-CE1 3.96Å; P434-F469 HydrophobicContact CG-CE1 4.47Å; R435-F469 PolarHBondContact NH1-O 3.12Å; T467-F469 PolarHBondContact O-N 3.39Å; T467-F469 VanDerWaalsContact O-N 3.1Å; F469-N471 PolarHBondContact O-N 3.5Å
470	K	88.8	Confident	75.1	Confident	132 Å²	132	68.3 Å²	68.3	57%	0.574	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-69.9	131	179.1	169	-178.8	-176.1	-174.7	0	109.2	T467 R486	T467-K470 PolarHBondContact O-N 3.25Å; T467-K470 VanDerWaalsContact O-N 3.09Å; K470-R486 VanDerWaalsContact CB-NH1 3.31Å; K470-R486 WeakPolarHBondContact O-CD 3.47Å; K470-R486 PolarHBondContact O-NH1 2.82Å
471	N	80.5	Confident	73.4	Confident	63 Å²	63	67.2 Å²	67.2	34%	0.337	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-64.8	154.2	177.7	-71.7	-22.6	0	0	0	111.8	Q430 R435 F469 R486	Q430-N471 PolarHBondContact OE1-ND2 3.34Å; R435-N471 VanDerWaalsContact CZ-OD1 3.24Å; R435-N471 PolarHBondContact NH2-OD1 3.46Å; F469-N471 PolarHBondContact O-N 3.5Å; N471-R486 WeakPolarHBondContact O-CD 3.45Å
472	P	70.5	Confident	72.1	Confident	51 Å²	51	73.3 Å²	73.3	33%	0.331	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-47.1	141.6	165.8	-27.5	34.8	0	0	0	112.6	S485 R486	P472-S485 VanDerWaalsContact CB-O 3.23Å; P472-S485 WeakPolarHBondContact CB-O 3.49Å; P472-R486 HydrophobicContact CB-CB 4.31Å; P472-R486 HydrophobicContact CG-CB 3.92Å
473	D	67	Low	70.5	Confident	83 Å²	83	72 Å²	72	44%	0.444	39%	0.39	S	S	.	.			trans	-88.4	105.9	157.6	-170.1	-20.8	0	0	0	107.1	S475 L476	D473-S475 PolarHBondContact O-N 2.91Å; D473-S475 WeakPolarHBondContact OD1-CB 3.27Å; D473-S475 PolarHBondContact OD1-N 3.3Å; D473-S475 VanDerWaalsContact OD1-N 3.14Å; D473-S475 PolarHBondContact OD1-OG 2.97Å; D473-S475 PolarHBondContact OD2-OG 3.49Å; D473-L476 HydrophobicContact CB-CD1 4.2Å; D473-L476 HydrophobicContact CB-CG 4.49Å; D473-L476 PolarHBondContact O-N 3.26Å
474	T	58.5	Low	68.8	Low	120 Å²	120	71 Å²	71	74%	0.736	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.2	-176.9	48.8	0	0	0	0	113.3	L476	T474-L476 PolarHBondContact O-N 2.95Å
475	S	54.7	Low	67.1	Low	90 Å²	90	70.8 Å²	70.8	63%	0.629	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.3	172.9	69	0	0	0	0	113.9	D473	D473-S475 PolarHBondContact O-N 2.91Å; D473-S475 WeakPolarHBondContact OD1-CB 3.27Å; D473-S475 PolarHBondContact OD1-N 3.3Å; D473-S475 VanDerWaalsContact OD1-N 3.14Å; D473-S475 PolarHBondContact OD1-OG 2.97Å; D473-S475 PolarHBondContact OD2-OG 3.49Å
476	L	51.2	Low	65.9	Low	76 Å²	76	72 Å²	72	40%	0.398	39%	0.389	S	S	.	.			trans	-107.7	56.6	-175.4	-62.6	173.5	0	0	0	112.4	D473 T474 N478 V484	D473-L476 HydrophobicContact CB-CD1 4.2Å; D473-L476 HydrophobicContact CB-CG 4.49Å; D473-L476 PolarHBondContact O-N 3.26Å; T474-L476 PolarHBondContact O-N 2.95Å; L476-N478 VanDerWaalsContact C-N 3.3Å; L476-N478 PolarHBondContact O-N 3.5Å; L476-V484 HydrophobicContact CD1-CG1 3.95Å
477	N	47.3	Very low	64.6	Low	120 Å²	120	73.9 Å²	73.9	64%	0.642	40%	0.397	S	S	*	.			trans	-80.6	71.1	171.7	-80.4	-11.8	0	0	0	111.3
478	N	49.4	Very low	64	Low	103 Å²	103	73.6 Å²	73.6	55%	0.551	39%	0.391	S	S	*	.			trans	-122.6	122	168.9	-86.7	-21.4	0	0	0	110	L476 S480 C481	L476-N478 VanDerWaalsContact C-N 3.3Å; L476-N478 PolarHBondContact O-N 3.5Å; N478-S480 PolarHBondContact O-N 3.04Å; N478-S480 VanDerWaalsContact O-N 3.1Å; N478-C481 PolarHBondContact O-N 3.39Å
479	E	49.4	Very low	63.4	Low	153 Å²	153	76.3 Å²	76.3	72%	0.715	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-56.3	-26.7	177.3	-74.5	-162.5	158.5	0	0	113.1	C481 R482	E479-C481 PolarHBondContact O-N 2.87Å; E479-R482 WeakPolarHBondContact O-CG 3.41Å
480	S	48.3	Very low	63	Low	98 Å²	98	79.2 Å²	79.2	69%	0.685	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-68.8	-10.8	176.5	52.5	0	0	0	0	113.8	N478	N478-S480 PolarHBondContact O-N 3.04Å; N478-S480 VanDerWaalsContact O-N 3.1Å
481	C	53	Low	63	Low	40 Å²	40	74.2 Å²	74.2	27%	0.27	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-125.4	41.2	-175	-82.7	0	0	0	0	112.1	N478 E479 L483 V484 S485	N478-C481 PolarHBondContact O-N 3.39Å; E479-C481 PolarHBondContact O-N 2.87Å; C481-L483 VanDerWaalsContact C-N 3.33Å; C481-L483 PolarHBondContact O-N 3.11Å; C481-V484 HydrophobicContact CB-CB 4.04Å; C481-V484 HydrophobicContact CB-CG2 4.21Å; C481-V484 CarbonylContact O-C 2.89Å; C481-V484 WeakPolarHBondContact O-CA 3.38Å; C481-V484 WeakPolarHBondContact O-CB 3.47Å; C481-V484 PolarHBondContact O-N 3.13Å; C481-S485 PolarHBondContact O-N 3.35Å
482	R	60.3	Low	63.3	Low	129 Å²	129	72.8 Å²	72.8	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-46.8	-49.8	-176.5	-57.6	-168	-179.4	171.7	-4.1	114	E479 V484 S485 R486 Y489	E479-R482 WeakPolarHBondContact O-CG 3.41Å; R482-V484 VanDerWaalsContact C-N 3.33Å; R482-V484 PolarHBondContact O-N 2.86Å; R482-S485 WeakPolarHBondContact CA-OG 3.22Å; R482-S485 PolarHBondContact O-N 3.03Å; R482-S485 PolarHBondContact O-OG 3.21Å; R482-R486 PolarHBondContact O-N 3.18Å; R482-R486 VanDerWaalsContact O-N 3.13Å; R482-Y489 HydrophobicContact CB-CD2 3.93Å; R482-Y489 HydrophobicContact CB-CE1 4.48Å; R482-Y489 HydrophobicContact CB-CE2 3.47Å; R482-Y489 VanDerWaalsContact CB-CE2 3.47Å; R482-Y489 HydrophobicContact CG-CD2 4.44Å; R482-Y489 HydrophobicContact CG-CE1 3.98Å; R482-Y489 HydrophobicContact CG-CE2 3.84Å
483	L	56.9	Low	64	Low	23 Å²	23	75.4 Å²	75.4	12%	0.12	40%	0.397	C	S	.	.	H	α-helix	trans	-62.9	-36.9	178	-76.6	164.8	0	0	0	113.2	V436 L442 Q460 L461 S464 C481	V436-L483 HydrophobicContact CG1-CD2 4.34Å; L442-L483 HydrophobicContact CD1-CD2 4.14Å; L442-L483 HydrophobicContact CD2-CD2 3.98Å; L442-L483 HydrophobicContact CD2-CG 4.4Å; Q460-L483 HydrophobicContact CB-CD1 4.41Å; L461-L483 HydrophobicContact CB-CD1 3.93Å; L461-L483 HydrophobicContact CD1-CD1 4.31Å; L461-L483 HydrophobicContact CD1-CD2 3.77Å; S464-L483 PolarHBondContact OG-O 3.14Å; C481-L483 VanDerWaalsContact C-N 3.33Å; C481-L483 PolarHBondContact O-N 3.11Å
484	V	54.2	Low	64.9	Low	54 Å²	54	77.6 Å²	77.6	33%	0.327	40%	0.399	S	S	.	.	H	α-helix	trans	-76.1	-39.5	179.4	-172.8	0	0	0	0	110.8	L476 C481 R482 R486	L476-V484 HydrophobicContact CD1-CG1 3.95Å; C481-V484 HydrophobicContact CB-CB 4.04Å; C481-V484 HydrophobicContact CB-CG2 4.21Å; C481-V484 CarbonylContact O-C 2.89Å; C481-V484 WeakPolarHBondContact O-CA 3.38Å; C481-V484 WeakPolarHBondContact O-CB 3.47Å; C481-V484 PolarHBondContact O-N 3.13Å; R482-V484 VanDerWaalsContact C-N 3.33Å; R482-V484 PolarHBondContact O-N 2.86Å; V484-R486 PolarHBondContact O-N 3.48Å
485	S	54.1	Low	66.1	Low	2 Å²	2	72 Å²	72	1%	0.014	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-27.6	178.3	74.1	0	0	0	0	112.1	P472 C481 R482 I487	P472-S485 VanDerWaalsContact CB-O 3.23Å; P472-S485 WeakPolarHBondContact CB-O 3.49Å; C481-S485 PolarHBondContact O-N 3.35Å; R482-S485 WeakPolarHBondContact CA-OG 3.22Å; R482-S485 PolarHBondContact O-N 3.03Å; R482-S485 PolarHBondContact O-OG 3.21Å; S485-I487 PolarHBondContact O-N 2.84Å
486	R	65.1	Low	67.2	Low	26 Å²	26	73.5 Å²	73.5	10%	0.098	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	18.7	-178.9	-58.2	159.4	177.1	-92.7	-7.7	113.7	V436 T467 K470 N471 P472 R482 V484	V436-R486 HydrophobicContact CG2-CG 4.42Å; T467-R486 PolarHBondContact O-NH1 3.29Å; T467-R486 PolarHBondContact OG1-NH2 3.33Å; K470-R486 VanDerWaalsContact CB-NH1 3.31Å; K470-R486 WeakPolarHBondContact O-CD 3.47Å; K470-R486 PolarHBondContact O-NH1 2.82Å; N471-R486 WeakPolarHBondContact O-CD 3.45Å; P472-R486 HydrophobicContact CB-CB 4.31Å; P472-R486 HydrophobicContact CG-CB 3.92Å; R482-R486 PolarHBondContact O-N 3.18Å; R482-R486 VanDerWaalsContact O-N 3.13Å; V484-R486 PolarHBondContact O-N 3.48Å
487	I	66.2	Low	68.3	Low	71 Å²	71	77.8 Å²	77.8	36%	0.364	37%	0.372	S	S	.	.			trans	-64.8	146.8	172.8	-62.6	170.2	0	0	0	108	S485 Y489	S485-I487 PolarHBondContact O-N 2.84Å; I487-Y489 HydrophobicContact CB-CD2 4.45Å; I487-Y489 HydrophobicContact CB-CE2 3.78Å; I487-Y489 HydrophobicContact CG2-CE2 4.32Å; I487-Y489 WeakPolarHBondContact O-CD2 3.33Å; I487-Y489 PolarHBondContact O-N 2.85Å; I487-Y489 VanDerWaalsContact O-N 3.12Å
488	K	79.6	Confident	69.6	Low	50 Å²	50	73.9 Å²	73.9	22%	0.217	35%	0.351	C	S	.	.			trans	-60.4	114	173.7	-62.8	179.2	-57.9	-172.4	0	108.9	N296 L299 D303 E325	N296-K488 HydrophobicContact CB-CD 4.38Å; L299-K488 HydrophobicContact CB-CD 3.71Å; L299-K488 HydrophobicContact CB-CG 4.09Å; L299-K488 HydrophobicContact CD1-CD 4.5Å; L299-K488 HydrophobicContact CD1-CG 3.98Å; D303-K488 WeakPolarHBondContact OD2-CE 3.34Å; D303-K488 IonicContact OD2-NZ 3.72Å; D303-K488 PolarHBondContact OD2-NZ 3.42Å; E325-K488 WeakPolarHBondContact OE1-CE 3.45Å; E325-K488 IonicContact OE1-NZ 2.82Å; E325-K488 PolarHBondContact OE1-NZ 2.9Å
489	Y	81.1	Confident	70.5	Confident	62 Å²	62	74.3 Å²	74.3	24%	0.243	35%	0.345	C	S	.	.			trans	-115.2	123.4	170.6	-70.7	-81.1	0	0	0	108.7	R482 I487	R482-Y489 HydrophobicContact CB-CD2 3.93Å; R482-Y489 HydrophobicContact CB-CE1 4.48Å; R482-Y489 HydrophobicContact CB-CE2 3.47Å; R482-Y489 VanDerWaalsContact CB-CE2 3.47Å; R482-Y489 HydrophobicContact CG-CD2 4.44Å; R482-Y489 HydrophobicContact CG-CE1 3.98Å; R482-Y489 HydrophobicContact CG-CE2 3.84Å; I487-Y489 HydrophobicContact CB-CD2 4.45Å; I487-Y489 HydrophobicContact CB-CE2 3.78Å; I487-Y489 HydrophobicContact CG2-CE2 4.32Å; I487-Y489 WeakPolarHBondContact O-CD2 3.33Å; I487-Y489 PolarHBondContact O-N 2.85Å; I487-Y489 VanDerWaalsContact O-N 3.12Å
490	R	87.3	Confident	71.2	Confident	118 Å²	118	67.4 Å²	67.4	45%	0.445	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-68.4	147.3	165.5	-70.4	-169.3	-61.7	158.6	4	109.6	C326	C326-R490 PolarHBondContact O-NH1 3.24Å
491	P	87.5	Confident	72	Confident	27 Å²	27	63.1 Å²	63.1	18%	0.175	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-54.5	139.9	172.1	-24.7	33.5	0	0	0	111.4	D177 D293 Y441	D177-P491 HydrophobicContact CB-CG 3.69Å; D177-P491 WeakPolarHBondContact OD1-CG 3.36Å; D177-P491 WeakPolarHBondContact OD2-CG 3.24Å; D293-P491 WeakPolarHBondContact OD2-CD 3.35Å; Y441-P491 HydrophobicContact CD1-CB 3.85Å; Y441-P491 HydrophobicContact CD1-CG 4.25Å; Y441-P491 HydrophobicContact CE1-CB 4.07Å; Y441-P491 HydrophobicContact CE1-CG 4.13Å
492	P	88.1	Confident	72.3	Confident	32 Å²	32	61.2 Å²	61.2	21%	0.208	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-69.6	151.8	179.9	30	-35.8	0	0	0	111.8	Y441 W494 S495	Y441-P492 HydrophobicContact CD2-CG 4.04Å; Y441-P492 HydrophobicContact CG-CG 4.2Å; P492-W494 HydrophobicContact CB-CG 4.37Å; P492-W494 VanDerWaalsContact CB-NE1 3.33Å; P492-W494 HydrophobicContact CG-CD2 4.1Å; P492-W494 HydrophobicContact CG-CG 4.37Å; P492-W494 HydrophobicContact CG-CZ2 3.61Å; P492-W494 PolarHBondContact O-N 3.43Å; P492-S495 PolarHBondContact O-N 3.16Å; P492-S495 PolarHBondContact O-OG 3.06Å
493	N	83.8	Confident	71.7	Confident	106 Å²	106	57.9 Å²	57.9	57%	0.567	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-55.7	-29.1	-175.2	-70.1	-12.4	0	0	0	114.7	Q331 S495 R496	Q331-N493 PolarHBondContact NE2-OD1 3.4Å; N493-S495 VanDerWaalsContact C-N 3.29Å; N493-S495 PolarHBondContact O-N 3.49Å; N493-R496 WeakPolarHBondContact O-CG 3.21Å; N493-R496 PolarHBondContact O-NE 2.94Å
494	W	85.9	Confident	71	Confident	130 Å²	130	57.8 Å²	57.8	49%	0.492	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-71.8	-21.4	179	64	-103.3	0	0	0	113	E444 E445 P492 L498	E444-W494 HydrophobicContact CB-CH2 4.35Å; E444-W494 HydrophobicContact CB-CZ3 4.48Å; E444-W494 HydrophobicContact CG-CH2 4.18Å; E444-W494 HydrophobicContact CG-CZ3 4.01Å; E445-W494 HydrophobicContact CG-CH2 4.2Å; E445-W494 HydrophobicContact CG-CZ2 4.04Å; P492-W494 HydrophobicContact CB-CG 4.37Å; P492-W494 VanDerWaalsContact CB-NE1 3.33Å; P492-W494 HydrophobicContact CG-CD2 4.1Å; P492-W494 HydrophobicContact CG-CG 4.37Å; P492-W494 HydrophobicContact CG-CZ2 3.61Å; P492-W494 PolarHBondContact O-N 3.43Å; W494-L498 HydrophobicContact CZ3-CD2 4.09Å
495	S	84.4	Confident	71.8	Confident	1 Å²	1	58 Å²	58	1%	0.007	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-88.1	-0.9	-175.9	71.9	0	0	0	0	114	Y441 P492 N493 K497 L498	Y441-S495 VanDerWaalsContact CB-CB 3.42Å; P492-S495 PolarHBondContact O-N 3.16Å; P492-S495 PolarHBondContact O-OG 3.06Å; N493-S495 VanDerWaalsContact C-N 3.29Å; N493-S495 PolarHBondContact O-N 3.49Å; S495-K497 VanDerWaalsContact C-N 3.29Å; S495-K497 PolarHBondContact O-N 3.43Å; S495-L498 WeakPolarHBondContact O-CB 3.34Å; S495-L498 PolarHBondContact O-N 3.27Å
496	R	77.9	Confident	72.8	Confident	123 Å²	123	60.9 Å²	60.9	46%	0.464	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36	-172.9	-69.9	-177.1	-69.7	157	5.8	114.3	E334 N493	E334-R496 IonicContact OE2-CZ 3.41Å; E334-R496 VanDerWaalsContact OE2-CZ 3.26Å; E334-R496 IonicContact OE2-NH1 3.35Å; E334-R496 PolarHBondContact OE2-NH1 3.24Å; E334-R496 IonicContact OE2-NH2 3.93Å; N493-R496 WeakPolarHBondContact O-CG 3.21Å; N493-R496 PolarHBondContact O-NE 2.94Å
497	K	73.9	Confident	73.2	Confident	165 Å²	165	62.9 Å²	62.9	72%	0.717	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	4.2	176.7	-62	-175	-178.3	176.2	0	112.9	E334 S495 R499	E334-K497 WeakPolarHBondContact OE1-CE 3.33Å; E334-K497 IonicContact OE1-NZ 3.83Å; E334-K497 PolarHBondContact OE1-NZ 3.34Å; S495-K497 VanDerWaalsContact C-N 3.29Å; S495-K497 PolarHBondContact O-N 3.43Å; K497-R499 PolarHBondContact O-N 2.95Å
498	L	74.6	Confident	73.6	Confident	39 Å²	39	62.4 Å²	62.4	20%	0.204	28%	0.284	C	S	.	.			trans	-74.3	116.7	-175.3	-174.8	74.5	0	0	0	110.2	N440 E444 W494 S495 V500	N440-L498 VanDerWaalsContact C-CD2 3.45Å; N440-L498 HydrophobicContact CB-CD2 3.94Å; N440-L498 HydrophobicContact CB-CG 4.34Å; N440-L498 PolarHBondContact ND2-O 2.78Å; N440-L498 WeakPolarHBondContact O-CD2 3.37Å; E444-L498 HydrophobicContact CB-CD1 4.24Å; E444-L498 HydrophobicContact CB-CD2 3.54Å; E444-L498 HydrophobicContact CB-CG 4.49Å; E444-L498 HydrophobicContact CG-CD1 3.94Å; E444-L498 HydrophobicContact CG-CD2 4.01Å; W494-L498 HydrophobicContact CZ3-CD2 4.09Å; S495-L498 WeakPolarHBondContact O-CB 3.34Å; S495-L498 PolarHBondContact O-N 3.27Å; L498-V500 HydrophobicContact CD1-CG2 4.24Å; L498-V500 HydrophobicContact CD2-CG2 3.91Å; L498-V500 HydrophobicContact CG-CG2 3.88Å
499	R	69.3	Low	73.2	Confident	111 Å²	111	63.2 Å²	63.2	42%	0.419	29%	0.288	S	S	.	.			trans	-117.9	107.7	168.4	-64.8	179.2	-176	-163.6	6.7	107.3	I184 N186 T187 K497	I184-R499 VanDerWaalsContact O-CZ 3.28Å; I184-R499 PolarHBondContact O-NH1 2.79Å; N186-R499 PolarHBondContact O-NH1 2.91Å; T187-R499 HydrophobicContact CG2-CB 4.09Å; T187-R499 VanDerWaalsContact CG2-CD 3.41Å; T187-R499 HydrophobicContact CG2-CG 4.36Å; K497-R499 PolarHBondContact O-N 2.95Å
500	V	64.3	Low	72.7	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.048	29%	0.291	C	S	.	.			trans	-88.9	123.3	176.7	-173.8	0	0	0	0	107.4	F19 N440 E444 I447 L498	F19-V500 HydrophobicContact CD1-CB 4.46Å; F19-V500 HydrophobicContact CD1-CG1 3.58Å; F19-V500 HydrophobicContact CE1-CB 3.81Å; F19-V500 HydrophobicContact CE1-CG1 3.42Å; F19-V500 VanDerWaalsContact CE1-CG1 3.42Å; F19-V500 HydrophobicContact CE2-CG1 4.42Å; F19-V500 HydrophobicContact CG-CG1 4.13Å; F19-V500 HydrophobicContact CZ-CB 3.95Å; F19-V500 HydrophobicContact CZ-CG1 3.89Å; N440-V500 HydrophobicContact CB-CG2 3.98Å; N440-V500 WeakPolarHBondContact O-CG2 3.35Å; E444-V500 HydrophobicContact CB-CG2 4.43Å; I447-V500 HydrophobicContact CD1-CG1 4.13Å; L498-V500 HydrophobicContact CD1-CG2 4.24Å; L498-V500 HydrophobicContact CD2-CG2 3.91Å; L498-V500 HydrophobicContact CG-CG2 3.88Å
501	S	65.2	Low	71.7	Confident	8 Å²	8	59.4 Å²	59.4	6%	0.056	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-126.4	154.8	168.9	98	0	0	0	0	110.5	S503 S504	S501-S503 PolarHBondContact O-N 2.86Å; S501-S503 PolarHBondContact OG-N 3.07Å; S501-S503 VanDerWaalsContact OG-N 3.08Å; S501-S503 PolarHBondContact OG-OG 2.7Å; S501-S504 WeakPolarHBondContact CB-OG 3.41Å; S501-S504 WeakPolarHBondContact OG-CB 3.44Å; S501-S504 PolarHBondContact OG-N 3.47Å; S501-S504 PolarHBondContact OG-OG 2.95Å
502	C	57.7	Low	70.4	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.007	29%	0.288	C	S	.	.	S	Bend	trans	-77.8	-6.3	171.3	-61.3	0	0	0	0	112	I12 C20 Y170 G171	I12-C502 WeakPolarHBondContact CD1-O 3.46Å; I12-C502 WeakPolarHBondContact CG1-O 3.37Å; C20-C502 HydrophobicContact CB-CB 4.44Å; C20-C502 WeakPolarHBondContact CB-SG 3.42Å; C20-C502 WeakPolarHBondContact SG-CB 3.38Å; C20-C502 CovalentContact SG-SG 2.04Å; C20-C502 PolarHBondContact SG-SG 2.96Å; Y170-C502 WeakPolarHBondContact O-CB 3.08Å; G171-C502 PolarHBondContact O-N 3.39Å
503	S	49.3	Very low	69	Low	58 Å²	58	64.3 Å²	64.3	41%	0.406	30%	0.295	S	S	.	.			trans	-109.1	-28.9	-175.6	42.2	0	0	0	0	114.1	R49 S501	R49-S503 PolarHBondContact NH1-O 3.24Å; R49-S503 PolarHBondContact NH2-O 3.31Å; S501-S503 PolarHBondContact O-N 2.86Å; S501-S503 PolarHBondContact OG-N 3.07Å; S501-S503 VanDerWaalsContact OG-N 3.08Å; S501-S503 PolarHBondContact OG-OG 2.7Å
504	S	41.4	Very low	67.6	Low	22 Å²	22	60.5 Å²	60.5	15%	0.154	27%	0.27	C	S	.	.			trans	-98.6	0	175.2	66.5	0	0	0	0	109	R16 M51 S501	R16-S504 PolarHBondContact NH1-O 3.1Å; R16-S504 PolarHBondContact NH1-OXT 2.81Å; M51-S504 WeakPolarHBondContact CB-OXT 3.2Å; M51-S504 WeakPolarHBondContact CG-OXT 3.39Å; S501-S504 WeakPolarHBondContact CB-OG 3.41Å; S501-S504 WeakPolarHBondContact OG-CB 3.44Å; S501-S504 PolarHBondContact OG-N 3.47Å; S501-S504 PolarHBondContact OG-OG 2.95Å

Retrieved 504 of 504 residues in 149.8 ms (Link to these results)

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