A0A077Z3D7_TRITR Loading...

MIOS-like alpha-solenoid domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z3D7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 774 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	70.2	Confident	84	Confident	101 Å²	101	54.1 Å²	54.1	50%	0.498	29%	0.285	S	S	.	.				0	116.1	0	-102.4	-165.3	-67.2	0	0	106.9	T20 L21 F66	M1-T20 CarbonylContact O-C 3.52Å; M1-T20 VanDerWaalsContact O-CA 3.27Å; M1-T20 WeakPolarHBondContact O-CA 3.48Å; M1-L21 HydrophobicContact CB-CD2 4.19Å; M1-L21 HydrophobicContact CB-CG 4.17Å; M1-L21 HydrophobicContact CE-CD2 3.95Å; M1-L21 PolarHBondContact O-N 2.96Å; M1-F66 HydrophobicContact CE-CE2 3.31Å; M1-F66 HydrophobicContact CE-CZ 3.26Å
2	S	85	Confident	83.9	Confident	16 Å²	16	53 Å²	53	11%	0.112	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.2	177.4	-175.2	0	0	0	0	107.2	H18 Y19 S303 D320	S2-H18 PolarHBondContact OG-NE2 2.76Å; S2-Y19 CarbonylContact C-O 3.36Å; S2-Y19 VanDerWaalsContact CA-O 3.32Å; S2-Y19 WeakPolarHBondContact CA-O 3.42Å; S2-S303 PolarHBondContact OG-OG 3.5Å; S2-D320 WeakPolarHBondContact CB-OD1 3.17Å; S2-D320 PolarHBondContact OG-OD1 3.43Å
3	N	88.9	Confident	84.1	Confident	36 Å²	36	54.3 Å²	54.3	19%	0.193	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	142.3	-176.2	-162	-5.4	0	0	0	110.8	H18 Y19 K250 T304	N3-H18 WeakPolarHBondContact O-CA 3.39Å; N3-Y19 HydrophobicContact CB-CD1 4.01Å; N3-Y19 HydrophobicContact CB-CE1 3.42Å; N3-Y19 VanDerWaalsContact CB-CE1 3.42Å; N3-Y19 HydrophobicContact CB-CE2 4.15Å; N3-Y19 VanDerWaalsContact CB-CZ 3.47Å; N3-Y19 PolarHBondContact N-O 2.94Å; N3-Y19 PolarHBondContact ND2-OH 2.99Å; N3-Y19 WeakPolarHBondContact O-CD1 3.22Å; N3-Y19 PolarHBondContact O-N 2.96Å; N3-K250 WeakPolarHBondContact OD1-CD 3.36Å; N3-K250 WeakPolarHBondContact OD1-CE 3.46Å; N3-K250 PolarHBondContact OD1-NZ 2.93Å; N3-T304 WeakPolarHBondContact CA-OG1 3.34Å; N3-T304 PolarHBondContact OD1-OG1 2.83Å
4	L	91.2	Very high	84.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.6	-176.3	-174.7	69.2	0	0	0	108.6	L16 L17 H18 K250 T304 S306 A316 A318 V324	L4-L16 HydrophobicContact CD1-CB 3.94Å; L4-L16 HydrophobicContact CD1-CD1 4.37Å; L4-L16 HydrophobicContact CD2-CD1 4.32Å; L4-L17 CarbonylContact C-O 3.59Å; L4-L17 WeakPolarHBondContact CA-O 3.4Å; L4-H18 HydrophobicContact CD1-CB 3.7Å; L4-K250 PolarHBondContact O-NZ 3.33Å; L4-T304 HydrophobicContact CB-CG2 3.56Å; L4-T304 PolarHBondContact N-OG1 3.38Å; L4-S306 WeakPolarHBondContact O-CB 3.18Å; L4-A316 HydrophobicContact CD2-CB 3.69Å; L4-A318 HydrophobicContact CD2-CB 4.48Å; L4-V324 HydrophobicContact CD1-CG1 4.28Å; L4-V324 HydrophobicContact CD1-CG2 3.9Å; L4-V324 HydrophobicContact CD2-CG1 4.23Å
5	L	88.3	Confident	84.8	Confident	39 Å²	39	47.1 Å²	47.1	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.9	-174.9	-66.2	172.1	0	0	0	110.5	V7 L16 L17 Y19 L52	L5-V7 PolarHBondContact O-N 2.95Å; L5-L16 CarbonylContact O-C 3.5Å; L5-L16 VanDerWaalsContact O-CA 3.29Å; L5-L16 WeakPolarHBondContact O-CA 3.45Å; L5-L17 PolarHBondContact N-O 3.32Å; L5-L17 PolarHBondContact O-N 3.46Å; L5-Y19 HydrophobicContact CD1-CD1 4.21Å; L5-Y19 HydrophobicContact CD1-CE1 3.62Å; L5-Y19 HydrophobicContact CG-CE1 4.2Å; L5-L52 HydrophobicContact CD1-CD1 3.15Å; L5-L52 HydrophobicContact CD1-CD2 4.21Å; L5-L52 HydrophobicContact CD1-CG 3.57Å
6	L	87.5	Confident	85.2	Confident	55 Å²	55	44.2 Å²	44.2	29%	0.288	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.2	168.9	-177.1	80.3	0	0	0	109.2	D14 L16 P309	L6-D14 HydrophobicContact CD1-CB 3.95Å; L6-L16 HydrophobicContact CB-CD2 4.43Å; L6-L16 HydrophobicContact CD1-CD2 4.04Å; L6-P309 VanDerWaalsContact CD2-CD 3.44Å; L6-P309 HydrophobicContact CD2-CG 3.3Å
7	V	83.3	Confident	85.3	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-47.5	-175.6	173.4	0	0	0	0	111.4	L5 E15 L17 L26 W54	L5-V7 PolarHBondContact O-N 2.95Å; V7-E15 HydrophobicContact CB-CB 4.08Å; V7-E15 PolarHBondContact N-O 2.98Å; V7-L17 HydrophobicContact CG2-CB 3.41Å; V7-L17 VanDerWaalsContact CG2-CB 3.41Å; V7-L26 HydrophobicContact CB-CD1 4.46Å; V7-L26 HydrophobicContact CG1-CD1 4.5Å; V7-L26 HydrophobicContact CG2-CD1 3.97Å; V7-W54 HydrophobicContact CB-CD2 4.29Å; V7-W54 HydrophobicContact CB-CZ2 4.37Å; V7-W54 HydrophobicContact CG1-CD2 3.56Å; V7-W54 HydrophobicContact CG1-CE3 3.54Å; V7-W54 HydrophobicContact CG1-CG 4.26Å; V7-W54 HydrophobicContact CG1-CH2 3.47Å; V7-W54 VanDerWaalsContact CG1-CH2 3.47Å; V7-W54 HydrophobicContact CG1-CZ2 3.58Å; V7-W54 HydrophobicContact CG1-CZ3 3.44Å; V7-W54 VanDerWaalsContact CG1-CZ3 3.44Å; V7-W54 HydrophobicContact CG2-CD2 4.25Å; V7-W54 HydrophobicContact CG2-CG 4.47Å; V7-W54 HydrophobicContact CG2-CZ2 3.88Å
8	H	82.9	Confident	85.6	Confident	47 Å²	47	39.6 Å²	39.6	22%	0.218	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.5	-176.3	-176.5	65.5	0	0	0	108.2	D14 E15	H8-D14 WeakPolarHBondContact O-CA 3.48Å; H8-E15 HydrophobicContact CB-CB 4.08Å; H8-E15 HydrophobicContact CB-CG 4.25Å; H8-E15 WeakPolarHBondContact CB-OE2 3.43Å; H8-E15 PolarHBondContact O-N 3Å
9	S	84.6	Confident	85.7	Confident	47 Å²	47	38.3 Å²	38.3	33%	0.329	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	122.1	177.3	-170.7	0	0	0	0	107.4	D14 S310	S9-D14 WeakPolarHBondContact CA-OD1 3.26Å; S9-D14 WeakPolarHBondContact CB-OD1 3.21Å; S9-D14 PolarHBondContact OG-OD1 3.35Å; S9-S310 PolarHBondContact OG-OG 2.99Å
10	S	83.1	Confident	85.6	Confident	42 Å²	42	37.6 Å²	37.6	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.6	179.4	58.5	0	0	0	0	108.1	G12 R13 S310	S10-G12 PolarHBondContact O-N 3.13Å; S10-R13 PolarHBondContact N-O 3.35Å; S10-R13 CarbonylContact O-C 3.56Å; S10-R13 PolarHBondContact O-N 3.38Å; S10-R13 PolarHBondContact OG-O 3.1Å; S10-S310 PolarHBondContact O-OG 3.03Å
11	E	79.3	Confident	85	Confident	203 Å²	203	41.6 Å²	41.6	95%	0.949	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.3	109.6	-173.4	-68.8	-168.6	158.6	0	0	112.8
12	G	82.3	Confident	85.2	Confident	41 Å²	41	40.7 Å²	40.7	42%	0.423	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	9.4	178.9	0	0	0	0	0	116.4	S10 F311	S10-G12 PolarHBondContact O-N 3.13Å; G12-F311 WeakPolarHBondContact O-CZ 3.44Å
13	R	86.6	Confident	85	Confident	70 Å²	70	41.5 Å²	41.5	26%	0.264	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	121.8	-179.1	-178.7	-174.3	-176.4	-134.6	-6	111.3	S10 E15 E28 E30	S10-R13 PolarHBondContact N-O 3.35Å; S10-R13 CarbonylContact O-C 3.56Å; S10-R13 PolarHBondContact O-N 3.38Å; S10-R13 PolarHBondContact OG-O 3.1Å; R13-E15 IonicContact CZ-OE1 3.38Å; R13-E15 VanDerWaalsContact CZ-OE1 3.25Å; R13-E15 IonicContact NH1-OE1 3.66Å; R13-E15 IonicContact NH2-OE1 2.89Å; R13-E15 PolarHBondContact NH2-OE1 3.32Å; R13-E28 IonicContact CZ-OE1 3.73Å; R13-E28 IonicContact NE-OE1 3.71Å; R13-E28 PolarHBondContact NE-OE1 2.96Å; R13-E28 IonicContact NH2-OE1 2.7Å; R13-E28 PolarHBondContact NH2-OE1 3.03Å; R13-E30 HydrophobicContact CG-CG 4.47Å
14	D	90.3	Very high	84.7	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.7	175	-74.4	-22.6	0	0	0	110.2	L6 H8 S9 V29 L308 P309 S310 F311	L6-D14 HydrophobicContact CD1-CB 3.95Å; H8-D14 WeakPolarHBondContact O-CA 3.48Å; S9-D14 WeakPolarHBondContact CA-OD1 3.26Å; S9-D14 WeakPolarHBondContact CB-OD1 3.21Å; S9-D14 PolarHBondContact OG-OD1 3.35Å; D14-V29 HydrophobicContact CB-CB 4.43Å; D14-V29 PolarHBondContact N-O 3.22Å; D14-V29 PolarHBondContact O-N 3.08Å; D14-L308 HydrophobicContact CB-CD2 3.83Å; D14-L308 VanDerWaalsContact OD2-CA 3.24Å; D14-L308 WeakPolarHBondContact OD2-CA 3.22Å; D14-L308 WeakPolarHBondContact OD2-CB 3.31Å; D14-P309 WeakPolarHBondContact OD2-CD 3.32Å; D14-S310 WeakPolarHBondContact OD1-CB 3.38Å; D14-S310 PolarHBondContact OD1-N 3.45Å; D14-S310 PolarHBondContact OD1-OG 3.45Å; D14-S310 WeakPolarHBondContact OD2-CB 3.17Å; D14-S310 PolarHBondContact OD2-N 3.03Å; D14-S310 VanDerWaalsContact OD2-N 3.08Å; D14-F311 HydrophobicContact CB-CD2 4.35Å; D14-F311 HydrophobicContact CB-CE2 4.19Å; D14-F311 WeakPolarHBondContact OD2-CD2 3.08Å
15	E	89.2	Confident	84.4	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.1	173.6	-64	177.4	166.5	0	0	109.5	V7 H8 R13 L26 Y27 R77	V7-E15 HydrophobicContact CB-CB 4.08Å; V7-E15 PolarHBondContact N-O 2.98Å; H8-E15 HydrophobicContact CB-CB 4.08Å; H8-E15 HydrophobicContact CB-CG 4.25Å; H8-E15 WeakPolarHBondContact CB-OE2 3.43Å; H8-E15 PolarHBondContact O-N 3Å; R13-E15 IonicContact CZ-OE1 3.38Å; R13-E15 VanDerWaalsContact CZ-OE1 3.25Å; R13-E15 IonicContact NH1-OE1 3.66Å; R13-E15 IonicContact NH2-OE1 2.89Å; R13-E15 PolarHBondContact NH2-OE1 3.32Å; E15-L26 HydrophobicContact CB-CD1 4.47Å; E15-Y27 CarbonylContact C-O 3.59Å; E15-Y27 VanDerWaalsContact CA-O 3.32Å; E15-Y27 WeakPolarHBondContact CA-O 3.46Å; E15-R77 VanDerWaalsContact CD-NE 3.31Å; E15-R77 WeakPolarHBondContact OE1-CD 3.26Å; E15-R77 IonicContact OE1-CZ 3.23Å; E15-R77 IonicContact OE1-NE 2.87Å; E15-R77 PolarHBondContact OE1-NE 2.95Å; E15-R77 IonicContact OE1-NH2 2.74Å; E15-R77 IonicContact OE2-CZ 3.61Å; E15-R77 VanDerWaalsContact OE2-CZ 3.32Å; E15-R77 IonicContact OE2-NE 3.69Å; E15-R77 PolarHBondContact OE2-NE 3.46Å; E15-R77 IonicContact OE2-NH2 3.65Å; E15-R77 PolarHBondContact OE2-NH2 2.78Å
16	L	90.3	Very high	84.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.9	-178.1	-63.2	172.5	0	0	0	110.6	L4 L5 L6 L26 Y27 V29 L308 A316 V324	L4-L16 HydrophobicContact CD1-CB 3.94Å; L4-L16 HydrophobicContact CD1-CD1 4.37Å; L4-L16 HydrophobicContact CD2-CD1 4.32Å; L5-L16 CarbonylContact O-C 3.5Å; L5-L16 VanDerWaalsContact O-CA 3.29Å; L5-L16 WeakPolarHBondContact O-CA 3.45Å; L6-L16 HydrophobicContact CB-CD2 4.43Å; L6-L16 HydrophobicContact CD1-CD2 4.04Å; L16-L26 CarbonylContact O-C 3.58Å; L16-Y27 PolarHBondContact N-O 3.03Å; L16-Y27 PolarHBondContact O-N 3.26Å; L16-V29 HydrophobicContact CD1-CG2 3.79Å; L16-V29 HydrophobicContact CG-CG2 4.32Å; L16-L308 HydrophobicContact CD1-CD2 4.04Å; L16-L308 HydrophobicContact CD2-CD2 3.97Å; L16-L308 HydrophobicContact CG-CD2 4.19Å; L16-A316 HydrophobicContact CD1-CB 3.42Å; L16-A316 VanDerWaalsContact CD1-CB 3.42Å; L16-V324 HydrophobicContact CD1-CG1 4.31Å
17	L	87.9	Confident	84.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.9	172.3	-174.7	68	0	0	0	109.2	L4 L5 V7 L24 N25 L26 L52 W54 F82	L4-L17 CarbonylContact C-O 3.59Å; L4-L17 WeakPolarHBondContact CA-O 3.4Å; L5-L17 PolarHBondContact N-O 3.32Å; L5-L17 PolarHBondContact O-N 3.46Å; V7-L17 HydrophobicContact CG2-CB 3.41Å; V7-L17 VanDerWaalsContact CG2-CB 3.41Å; L17-L24 HydrophobicContact CD1-CD1 3.45Å; L17-L24 VanDerWaalsContact CD1-CD1 3.45Å; L17-L24 HydrophobicContact CD1-CD2 4.06Å; L17-L24 HydrophobicContact CD1-CG 3.55Å; L17-L24 HydrophobicContact CD2-CD1 3.71Å; L17-L24 HydrophobicContact CD2-CG 4.48Å; L17-L24 HydrophobicContact CG-CD1 3.56Å; L17-L24 HydrophobicContact CG-CG 4.24Å; L17-N25 WeakPolarHBondContact CA-O 3.29Å; L17-L26 HydrophobicContact CD1-CD1 4.4Å; L17-L52 HydrophobicContact CD2-CD1 3.87Å; L17-L52 HydrophobicContact CD2-CD2 4.05Å; L17-W54 HydrophobicContact CD2-CZ2 4.05Å; L17-F82 HydrophobicContact CD1-CZ 4.45Å
18	H	89.9	Confident	84.6	Confident	6 Å²	6	38.9 Å²	38.9	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.9	170.8	-177.5	-149.5	0	0	0	109.1	S2 N3 L4 N25 Y27 V324	S2-H18 PolarHBondContact OG-NE2 2.76Å; N3-H18 WeakPolarHBondContact O-CA 3.39Å; L4-H18 HydrophobicContact CD1-CB 3.7Å; H18-N25 HydrophobicContact CB-CB 4.46Å; H18-N25 PolarHBondContact N-O 3.01Å; H18-N25 PolarHBondContact O-N 3.16Å; H18-Y27 HydrophobicContact CB-CD2 4.04Å; H18-Y27 HydrophobicContact CB-CE2 3.66Å; H18-V324 HydrophobicContact CB-CG2 3.88Å
19	Y	87.3	Confident	84.9	Confident	15 Å²	15	36.7 Å²	36.7	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.3	174.7	75.9	-91	0	0	0	111.6	S2 N3 L5 S23 L24 L49 L52	S2-Y19 CarbonylContact C-O 3.36Å; S2-Y19 VanDerWaalsContact CA-O 3.32Å; S2-Y19 WeakPolarHBondContact CA-O 3.42Å; N3-Y19 HydrophobicContact CB-CD1 4.01Å; N3-Y19 HydrophobicContact CB-CE1 3.42Å; N3-Y19 VanDerWaalsContact CB-CE1 3.42Å; N3-Y19 HydrophobicContact CB-CE2 4.15Å; N3-Y19 VanDerWaalsContact CB-CZ 3.47Å; N3-Y19 PolarHBondContact N-O 2.94Å; N3-Y19 PolarHBondContact ND2-OH 2.99Å; N3-Y19 WeakPolarHBondContact O-CD1 3.22Å; N3-Y19 PolarHBondContact O-N 2.96Å; L5-Y19 HydrophobicContact CD1-CD1 4.21Å; L5-Y19 HydrophobicContact CD1-CE1 3.62Å; L5-Y19 HydrophobicContact CG-CE1 4.2Å; Y19-S23 CarbonylContact C-O 3.56Å; Y19-S23 WeakPolarHBondContact CA-O 3.47Å; Y19-L24 HydrophobicContact CG-CD1 4.42Å; Y19-L49 HydrophobicContact CD2-CD2 3.77Å; Y19-L49 HydrophobicContact CE2-CD2 4.27Å; Y19-L49 HydrophobicContact CG-CD2 4.22Å; Y19-L52 HydrophobicContact CD1-CD2 3.28Å; Y19-L52 HydrophobicContact CD1-CG 4.17Å; Y19-L52 HydrophobicContact CD2-CD2 4.27Å; Y19-L52 HydrophobicContact CE1-CD2 3.4Å; Y19-L52 HydrophobicContact CE1-CG 3.82Å; Y19-L52 HydrophobicContact CE2-CD2 4.42Å; Y19-L52 HydrophobicContact CG-CD2 3.72Å
20	T	83.1	Confident	84.9	Confident	24 Å²	24	38.3 Å²	38.3	15%	0.147	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-178.4	173.4	72.6	0	0	0	0	109.3	M1 A22 S23	M1-T20 CarbonylContact O-C 3.52Å; M1-T20 VanDerWaalsContact O-CA 3.27Å; M1-T20 WeakPolarHBondContact O-CA 3.48Å; T20-A22 PolarHBondContact O-N 3.47Å; T20-A22 PolarHBondContact OG1-N 3.38Å; T20-A22 VanDerWaalsContact OG1-N 3.15Å; T20-S23 PolarHBondContact N-O 3.48Å; T20-S23 PolarHBondContact OG1-N 3.46Å; T20-S23 PolarHBondContact OG1-O 2.73Å; T20-S23 PolarHBondContact OG1-OG 3.05Å
21	L	73.8	Confident	84.7	Confident	122 Å²	122	44 Å²	44	64%	0.639	23%	0.233	S	C	*	.	S	Bend	trans	-64.3	-19.3	171	-72.4	171.7	0	0	0	113.2	M1	M1-L21 HydrophobicContact CB-CD2 4.19Å; M1-L21 HydrophobicContact CB-CG 4.17Å; M1-L21 HydrophobicContact CE-CD2 3.95Å; M1-L21 PolarHBondContact O-N 2.96Å
22	A	74.2	Confident	83.9	Confident	81 Å²	81	38 Å²	38	67%	0.669	21%	0.213	S	C	*	.	S	Bend	trans	-111.7	-25.2	-172.9	0	0	0	0	0	113.5	T20	T20-A22 PolarHBondContact O-N 3.47Å; T20-A22 PolarHBondContact OG1-N 3.38Å; T20-A22 VanDerWaalsContact OG1-N 3.15Å
23	S	80.4	Confident	82.6	Confident	34 Å²	34	45.4 Å²	45.4	24%	0.238	24%	0.237	C	C	.	.			trans	-145.8	149.3	-168.5	67.1	0	0	0	0	112.7	Y19 T20 N25 D44	Y19-S23 CarbonylContact C-O 3.56Å; Y19-S23 WeakPolarHBondContact CA-O 3.47Å; T20-S23 PolarHBondContact N-O 3.48Å; T20-S23 PolarHBondContact OG1-N 3.46Å; T20-S23 PolarHBondContact OG1-O 2.73Å; T20-S23 PolarHBondContact OG1-OG 3.05Å; S23-N25 PolarHBondContact OG-ND2 2.99Å; S23-D44 CarbonylContact C-O 3.54Å; S23-D44 WeakPolarHBondContact CA-O 3.26Å
24	L	83.1	Confident	81.6	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	102.7	171.2	-174.2	70.8	0	0	0	108.1	L17 Y19 G43 D44 F46 L52 L61 F82	L17-L24 HydrophobicContact CD1-CD1 3.45Å; L17-L24 VanDerWaalsContact CD1-CD1 3.45Å; L17-L24 HydrophobicContact CD1-CD2 4.06Å; L17-L24 HydrophobicContact CD1-CG 3.55Å; L17-L24 HydrophobicContact CD2-CD1 3.71Å; L17-L24 HydrophobicContact CD2-CG 4.48Å; L17-L24 HydrophobicContact CG-CD1 3.56Å; L17-L24 HydrophobicContact CG-CG 4.24Å; Y19-L24 HydrophobicContact CG-CD1 4.42Å; L24-G43 CarbonylContact O-C 3.34Å; L24-G43 VanDerWaalsContact O-CA 3.28Å; L24-G43 WeakPolarHBondContact O-CA 3.3Å; L24-D44 HydrophobicContact CB-CB 4.44Å; L24-D44 WeakPolarHBondContact CB-O 3.28Å; L24-D44 PolarHBondContact N-O 3.41Å; L24-D44 PolarHBondContact O-N 2.88Å; L24-F46 HydrophobicContact CB-CD2 3.81Å; L24-F46 HydrophobicContact CB-CE2 4.09Å; L24-F46 HydrophobicContact CD2-CD2 3.55Å; L24-F46 HydrophobicContact CD2-CE2 3.16Å; L24-F46 HydrophobicContact CD2-CZ 3.88Å; L24-F46 HydrophobicContact CG-CD2 4.21Å; L24-F46 HydrophobicContact CG-CE2 4.19Å; L24-L52 HydrophobicContact CD1-CD2 4.43Å; L24-L61 HydrophobicContact CD2-CD2 4.46Å; L24-F82 HydrophobicContact CD2-CD2 4.16Å; L24-F82 HydrophobicContact CD2-CE1 4.43Å; L24-F82 HydrophobicContact CD2-CE2 3.52Å; L24-F82 HydrophobicContact CD2-CZ 3.68Å; L24-F82 HydrophobicContact CG-CE2 4.45Å
25	N	85.7	Confident	80.5	Confident	30 Å²	30	56.6 Å²	56.6	16%	0.16	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.6	-173.3	-68.3	-32.7	0	0	0	110.3	L17 H18 S23 Y27 L40 N42 G43	L17-N25 WeakPolarHBondContact CA-O 3.29Å; H18-N25 HydrophobicContact CB-CB 4.46Å; H18-N25 PolarHBondContact N-O 3.01Å; H18-N25 PolarHBondContact O-N 3.16Å; S23-N25 PolarHBondContact OG-ND2 2.99Å; N25-Y27 HydrophobicContact CB-CD2 4.24Å; N25-Y27 HydrophobicContact CB-CE2 3.52Å; N25-L40 HydrophobicContact CB-CD1 3.59Å; N25-N42 WeakPolarHBondContact CA-O 3.27Å; N25-G43 WeakPolarHBondContact OD1-CA 2.92Å
26	L	86.3	Confident	80	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128	172.5	-173.8	69.3	0	0	0	109.4	V7 E15 L16 L17 L41 N42	V7-L26 HydrophobicContact CB-CD1 4.46Å; V7-L26 HydrophobicContact CG1-CD1 4.5Å; V7-L26 HydrophobicContact CG2-CD1 3.97Å; E15-L26 HydrophobicContact CB-CD1 4.47Å; L16-L26 CarbonylContact O-C 3.58Å; L17-L26 HydrophobicContact CD1-CD1 4.4Å; L26-L41 HydrophobicContact CB-CB 4.3Å; L26-L41 HydrophobicContact CD2-CB 4.22Å; L26-L41 HydrophobicContact CD2-CD1 3.74Å; L26-L41 HydrophobicContact CG-CB 4.33Å; L26-L41 HydrophobicContact CG-CD1 4.04Å; L26-L41 PolarHBondContact O-N 3.43Å; L26-N42 PolarHBondContact N-O 2.78Å
27	Y	88.2	Confident	79.4	Confident	24 Å²	24	60.1 Å²	60.1	9%	0.094	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.2	176.2	-67.1	-94.2	0	0	0	110.1	E15 L16 H18 N25 P38 K39 L40 V324	E15-Y27 CarbonylContact C-O 3.59Å; E15-Y27 VanDerWaalsContact CA-O 3.32Å; E15-Y27 WeakPolarHBondContact CA-O 3.46Å; L16-Y27 PolarHBondContact N-O 3.03Å; L16-Y27 PolarHBondContact O-N 3.26Å; H18-Y27 HydrophobicContact CB-CD2 4.04Å; H18-Y27 HydrophobicContact CB-CE2 3.66Å; N25-Y27 HydrophobicContact CB-CD2 4.24Å; N25-Y27 HydrophobicContact CB-CE2 3.52Å; Y27-P38 HydrophobicContact CD1-CB 3.96Å; Y27-P38 HydrophobicContact CG-CB 4.47Å; Y27-K39 CarbonylContact C-O 3.56Å; Y27-K39 WeakPolarHBondContact CA-O 3.46Å; Y27-L40 HydrophobicContact CD1-CB 4.33Å; Y27-L40 HydrophobicContact CD1-CD1 4.47Å; Y27-L40 HydrophobicContact CE1-CB 4.1Å; Y27-L40 HydrophobicContact CE1-CD1 4.09Å; Y27-L40 HydrophobicContact CE2-CD1 4.13Å; Y27-V324 HydrophobicContact CD1-CB 4.2Å; Y27-V324 HydrophobicContact CD1-CG2 4.41Å; Y27-V324 HydrophobicContact CD2-CB 4.35Å; Y27-V324 HydrophobicContact CD2-CG2 3.73Å; Y27-V324 HydrophobicContact CE1-CB 4.03Å; Y27-V324 HydrophobicContact CE1-CG2 4.12Å; Y27-V324 HydrophobicContact CE2-CB 4.19Å; Y27-V324 HydrophobicContact CE2-CG2 3.39Å; Y27-V324 HydrophobicContact CG-CB 4.33Å; Y27-V324 HydrophobicContact CG-CG2 4.22Å
28	E	89	Confident	79	Confident	19 Å²	19	61.7 Å²	61.7	9%	0.089	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	174.6	178.1	175.2	-135.2	0	0	109.1	R13 E30 P38 K39 L41	R13-E28 IonicContact CZ-OE1 3.73Å; R13-E28 IonicContact NE-OE1 3.71Å; R13-E28 PolarHBondContact NE-OE1 2.96Å; R13-E28 IonicContact NH2-OE1 2.7Å; R13-E28 PolarHBondContact NH2-OE1 3.03Å; E28-E30 HydrophobicContact CG-CG 3.92Å; E28-P38 CarbonylContact O-C 3.53Å; E28-P38 WeakPolarHBondContact O-CA 3.34Å; E28-K39 PolarHBondContact N-O 2.95Å; E28-K39 PolarHBondContact O-N 3.29Å; E28-L41 HydrophobicContact CB-CD1 3.82Å; E28-L41 HydrophobicContact CB-CD2 4.39Å; E28-L41 HydrophobicContact CB-CG 4.03Å
29	V	89.4	Confident	78.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.5	177.2	-175.1	0	0	0	0	108.2	D14 L16 L36 P38 L308 F311 I326	D14-V29 HydrophobicContact CB-CB 4.43Å; D14-V29 PolarHBondContact N-O 3.22Å; D14-V29 PolarHBondContact O-N 3.08Å; L16-V29 HydrophobicContact CD1-CG2 3.79Å; L16-V29 HydrophobicContact CG-CG2 4.32Å; V29-L36 HydrophobicContact CG1-CD2 4.45Å; V29-P38 HydrophobicContact CG2-CB 4.31Å; V29-L308 HydrophobicContact CG1-CD1 4.28Å; V29-L308 HydrophobicContact CG2-CD2 4.26Å; V29-F311 HydrophobicContact CB-CE2 4.09Å; V29-F311 HydrophobicContact CG1-CD2 4.03Å; V29-F311 HydrophobicContact CG1-CE2 3.65Å; V29-F311 HydrophobicContact CG1-CZ 4.29Å; V29-F311 WeakPolarHBondContact O-CE2 3.33Å; V29-I326 HydrophobicContact CG1-CD1 3.8Å
30	E	84.6	Confident	78.4	Confident	81 Å²	81	71.4 Å²	71.4	38%	0.379	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159.6	175.7	-65.4	-176.1	154.6	0	0	110.5	R13 E28 C32	R13-E30 HydrophobicContact CG-CG 4.47Å; E28-E30 HydrophobicContact CG-CG 3.92Å; E30-C32 PolarHBondContact O-N 3.34Å
31	K	78.9	Confident	78	Confident	161 Å²	161	72.8 Å²	72.8	70%	0.7	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	101	172.6	-172.6	-177.9	177.5	-174.5	0	109.7	L36 F311	K31-L36 HydrophobicContact CB-CD2 3.9Å; K31-L36 HydrophobicContact CG-CD2 4.38Å; K31-F311 HydrophobicContact CB-CE1 4.46Å
32	C	62	Low	78	Confident	78 Å²	78	69.8 Å²	69.8	53%	0.527	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.3	173.3	-73.4	0	0	0	0	110.2	E30 E34 I35	E30-C32 PolarHBondContact O-N 3.34Å; C32-E34 VanDerWaalsContact C-N 3.26Å; C32-E34 PolarHBondContact O-N 3.3Å; C32-I35 PolarHBondContact N-O 3.46Å; C32-I35 VanDerWaalsContact N-O 3.15Å; C32-I35 CarbonylContact O-C 3.46Å; C32-I35 PolarHBondContact O-N 3.02Å
33	E	55.1	Low	77.8	Confident	197 Å²	197	68.2 Å²	68.2	92%	0.921	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	31.9	47.6	168.7	-62.9	-170.1	165.2	0	0	117.1
34	E	64.3	Low	77.5	Confident	181 Å²	181	69.7 Å²	69.7	85%	0.846	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-11.9	179.8	-52.5	-175.4	163.4	0	0	117.7	C32	C32-E34 VanDerWaalsContact C-N 3.26Å; C32-E34 PolarHBondContact O-N 3.3Å
35	I	67.9	Low	77	Confident	124 Å²	124	73.1 Å²	73.1	64%	0.636	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.3	179	-54.8	175.1	0	0	0	110.2	C32	C32-I35 PolarHBondContact N-O 3.46Å; C32-I35 VanDerWaalsContact N-O 3.15Å; C32-I35 CarbonylContact O-C 3.46Å; C32-I35 PolarHBondContact O-N 3.02Å
36	L	77.9	Confident	76.6	Confident	21 Å²	21	73.3 Å²	73.3	11%	0.11	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.3	168.6	-64.7	163.9	0	0	0	108.1	V29 K31 F311 Y314 I326	V29-L36 HydrophobicContact CG1-CD2 4.45Å; K31-L36 HydrophobicContact CB-CD2 3.9Å; K31-L36 HydrophobicContact CG-CD2 4.38Å; L36-F311 HydrophobicContact CD1-CB 4.27Å; L36-F311 HydrophobicContact CD1-CD1 3.86Å; L36-F311 HydrophobicContact CD1-CE1 4.43Å; L36-F311 HydrophobicContact CD1-CG 4.1Å; L36-F311 HydrophobicContact CD2-CD1 3.49Å; L36-F311 VanDerWaalsContact CD2-CD1 3.49Å; L36-F311 HydrophobicContact CD2-CE1 3.2Å; L36-F311 HydrophobicContact CD2-CE2 4.28Å; L36-F311 HydrophobicContact CD2-CG 4.15Å; L36-F311 HydrophobicContact CD2-CZ 3.62Å; L36-F311 HydrophobicContact CG-CD1 4.37Å; L36-F311 HydrophobicContact CG-CE1 4.46Å; L36-Y314 HydrophobicContact CD1-CD1 3.66Å; L36-Y314 HydrophobicContact CD1-CD2 3.48Å; L36-Y314 VanDerWaalsContact CD1-CD2 3.48Å; L36-Y314 HydrophobicContact CD1-CE1 3.61Å; L36-Y314 HydrophobicContact CD1-CE2 3.41Å; L36-Y314 VanDerWaalsContact CD1-CE2 3.41Å; L36-Y314 HydrophobicContact CD1-CG 3.6Å; L36-Y314 VanDerWaalsContact CD1-CZ 3.48Å; L36-I326 HydrophobicContact CB-CD1 3.12Å; L36-I326 HydrophobicContact CB-CG1 4.28Å; L36-I326 HydrophobicContact CD1-CD1 4.32Å; L36-I326 HydrophobicContact CG-CD1 4.3Å; L36-I326 WeakPolarHBondContact O-CD1 3.25Å
37	A	77.7	Confident	76.1	Confident	54 Å²	54	77.9 Å²	77.9	45%	0.446	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138	176.7	0	0	0	0	0	111
38	P	80.7	Confident	75.8	Confident	33 Å²	33	80.8 Å²	80.8	21%	0.214	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.3	174.3	30.4	-31.5	0	0	0	110.9	Y27 E28 V29 V324	Y27-P38 HydrophobicContact CD1-CB 3.96Å; Y27-P38 HydrophobicContact CG-CB 4.47Å; E28-P38 CarbonylContact O-C 3.53Å; E28-P38 WeakPolarHBondContact O-CA 3.34Å; V29-P38 HydrophobicContact CG2-CB 4.31Å; P38-V324 HydrophobicContact CB-CG1 4.26Å; P38-V324 HydrophobicContact CG-CB 4.39Å; P38-V324 HydrophobicContact CG-CG1 4.21Å; P38-V324 WeakPolarHBondContact CG-O 3.43Å
39	K	81.9	Confident	75.8	Confident	135 Å²	135	80.3 Å²	80.3	59%	0.587	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	128.3	171.9	-178.5	-177.9	175.4	-172.5	0	110.1	Y27 E28 L41	Y27-K39 CarbonylContact C-O 3.56Å; Y27-K39 WeakPolarHBondContact CA-O 3.46Å; E28-K39 PolarHBondContact N-O 2.95Å; E28-K39 PolarHBondContact O-N 3.29Å; K39-L41 PolarHBondContact O-N 3.37Å
40	L	81.9	Confident	75.8	Confident	90 Å²	90	82.7 Å²	82.7	47%	0.471	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.1	172.1	-178	69.3	0	0	0	109.8	N25 Y27	N25-L40 HydrophobicContact CB-CD1 3.59Å; Y27-L40 HydrophobicContact CD1-CB 4.33Å; Y27-L40 HydrophobicContact CD1-CD1 4.47Å; Y27-L40 HydrophobicContact CE1-CB 4.1Å; Y27-L40 HydrophobicContact CE1-CD1 4.09Å; Y27-L40 HydrophobicContact CE2-CD1 4.13Å
41	L	74.4	Confident	76.1	Confident	52 Å²	52	79.4 Å²	79.4	27%	0.272	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-49.8	177.8	-69.5	179	0	0	0	112.2	L26 E28 K39	L26-L41 HydrophobicContact CB-CB 4.3Å; L26-L41 HydrophobicContact CD2-CB 4.22Å; L26-L41 HydrophobicContact CD2-CD1 3.74Å; L26-L41 HydrophobicContact CG-CB 4.33Å; L26-L41 HydrophobicContact CG-CD1 4.04Å; L26-L41 PolarHBondContact O-N 3.43Å; E28-L41 HydrophobicContact CB-CD1 3.82Å; E28-L41 HydrophobicContact CB-CD2 4.39Å; E28-L41 HydrophobicContact CB-CG 4.03Å; K39-L41 PolarHBondContact O-N 3.37Å
42	N	74.6	Confident	76.7	Confident	60 Å²	60	72.5 Å²	72.5	32%	0.321	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	154.4	-178.3	-82.6	-35.6	0	0	0	111.7	N25 L26 P81	N25-N42 WeakPolarHBondContact CA-O 3.27Å; L26-N42 PolarHBondContact N-O 2.78Å; N42-P81 HydrophobicContact CB-CG 4.04Å
43	G	70.5	Confident	78.1	Confident	48 Å²	48	69.4 Å²	69.4	50%	0.495	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121	177.6	0	0	0	0	0	112.7	L24 N25	L24-G43 CarbonylContact O-C 3.34Å; L24-G43 VanDerWaalsContact O-CA 3.28Å; L24-G43 WeakPolarHBondContact O-CA 3.3Å; N25-G43 WeakPolarHBondContact OD1-CA 2.92Å
44	D	73.3	Confident	79.6	Confident	65 Å²	65	61.4 Å²	61.4	35%	0.348	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	167.9	177.5	-83.9	-39.3	0	0	0	112.6	S23 L24 F46 P81 F82	S23-D44 CarbonylContact C-O 3.54Å; S23-D44 WeakPolarHBondContact CA-O 3.26Å; L24-D44 HydrophobicContact CB-CB 4.44Å; L24-D44 WeakPolarHBondContact CB-O 3.28Å; L24-D44 PolarHBondContact N-O 3.41Å; L24-D44 PolarHBondContact O-N 2.88Å; D44-F46 HydrophobicContact CB-CD2 4.39Å; D44-F46 HydrophobicContact CB-CE2 3.8Å; D44-P81 VanDerWaalsContact OD2-CG 3.25Å; D44-P81 WeakPolarHBondContact OD2-CG 3.42Å; D44-F82 HydrophobicContact CB-CD2 4.48Å; D44-F82 VanDerWaalsContact OD2-CD2 3.23Å; D44-F82 WeakPolarHBondContact OD2-CD2 3.5Å
45	A	72.6	Confident	80.8	Confident	74 Å²	74	53 Å²	53	61%	0.612	31%	0.314	S	S	*	.			trans	-117	127.4	177.2	0	0	0	0	0	112
46	F	78.1	Confident	81.5	Confident	35 Å²	35	50.2 Å²	50.2	15%	0.154	31%	0.31	C	S	.	.			trans	-121.4	91.8	177.4	-73.3	-100.7	0	0	0	109.7	L24 D44 L49 T63 F73 F82	L24-F46 HydrophobicContact CB-CD2 3.81Å; L24-F46 HydrophobicContact CB-CE2 4.09Å; L24-F46 HydrophobicContact CD2-CD2 3.55Å; L24-F46 HydrophobicContact CD2-CE2 3.16Å; L24-F46 HydrophobicContact CD2-CZ 3.88Å; L24-F46 HydrophobicContact CG-CD2 4.21Å; L24-F46 HydrophobicContact CG-CE2 4.19Å; D44-F46 HydrophobicContact CB-CD2 4.39Å; D44-F46 HydrophobicContact CB-CE2 3.8Å; F46-L49 HydrophobicContact CB-CB 4.24Å; F46-L49 HydrophobicContact CB-CD2 4.18Å; F46-T63 HydrophobicContact CD1-CG2 4.26Å; F46-T63 HydrophobicContact CE1-CG2 4.33Å; F46-F73 HydrophobicContact CD1-CE2 4.42Å; F46-F73 HydrophobicContact CD1-CZ 4.3Å; F46-F73 HydrophobicContact CE1-CD2 4.28Å; F46-F73 AromaticContact CE1-CE1 3.97Å; F46-F73 HydrophobicContact CE1-CE1 3.97Å; F46-F73 AromaticContact CE1-CE2 3.7Å; F46-F73 HydrophobicContact CE1-CE2 3.7Å; F46-F73 AromaticContact CE1-CZ 3.55Å; F46-F73 HydrophobicContact CE1-CZ 3.55Å; F46-F82 HydrophobicContact CE2-CD2 4.17Å; F46-F82 HydrophobicContact CZ-CB 4.26Å; F46-F82 HydrophobicContact CZ-CD2 4.03Å; F46-F82 HydrophobicContact CZ-CG 4.17Å
47	P	75.2	Confident	81.6	Confident	103 Å²	103	51.8 Å²	51.8	67%	0.669	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	141.7	-179.5	26	-32.6	0	0	0	110.8	L49	P47-L49 VanDerWaalsContact C-N 3.29Å; P47-L49 PolarHBondContact O-N 3.3Å
48	C	83	Confident	81.8	Confident	85 Å²	85	49.3 Å²	49.3	57%	0.574	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	17.8	176.5	-55.2	0	0	0	0	116.6	N65 F66	C48-N65 VanDerWaalsContact O-CA 3.26Å; C48-N65 WeakPolarHBondContact O-CA 3.16Å; C48-N65 WeakPolarHBondContact O-CB 3.41Å; C48-F66 WeakPolarHBondContact O-CD2 3.22Å; C48-F66 PolarHBondContact O-N 2.88Å
49	L	87.9	Confident	82	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.052	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	130.7	176.3	-173.5	64.9	0	0	0	112.2	Y19 F46 P47 C51 L52 T63	Y19-L49 HydrophobicContact CD2-CD2 3.77Å; Y19-L49 HydrophobicContact CE2-CD2 4.27Å; Y19-L49 HydrophobicContact CG-CD2 4.22Å; F46-L49 HydrophobicContact CB-CB 4.24Å; F46-L49 HydrophobicContact CB-CD2 4.18Å; P47-L49 VanDerWaalsContact C-N 3.29Å; P47-L49 PolarHBondContact O-N 3.3Å; L49-C51 WeakPolarHBondContact CD1-O 3.45Å; L49-L52 HydrophobicContact CD1-CB 4.42Å; L49-L52 HydrophobicContact CD2-CD2 3.96Å; L49-T63 VanDerWaalsContact CD1-CB 3.5Å; L49-T63 HydrophobicContact CD1-CG2 3.88Å
50	K	89.6	Confident	82.2	Confident	49 Å²	49	42.9 Å²	42.9	21%	0.213	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-45.9	177.3	179.2	167.2	177.7	163.2	0	113.1	G64 F66 P95 C96 N97	K50-G64 WeakPolarHBondContact CA-O 3.4Å; K50-G64 WeakPolarHBondContact CB-O 3.32Å; K50-G64 PolarHBondContact N-O 3.37Å; K50-F66 HydrophobicContact CB-CD1 4.37Å; K50-F66 HydrophobicContact CB-CD2 4.05Å; K50-F66 HydrophobicContact CB-CE1 4.39Å; K50-F66 HydrophobicContact CB-CE2 4.08Å; K50-F66 HydrophobicContact CB-CG 4.21Å; K50-F66 HydrophobicContact CB-CZ 4.24Å; K50-F66 HydrophobicContact CD-CD1 3.73Å; K50-F66 HydrophobicContact CD-CE1 3.68Å; K50-F66 HydrophobicContact CD-CG 4.34Å; K50-F66 HydrophobicContact CD-CZ 4.27Å; K50-F66 HydrophobicContact CG-CD1 4.4Å; K50-F66 HydrophobicContact CG-CE1 4.13Å; K50-F66 HydrophobicContact CG-CZ 4.21Å; K50-P95 HydrophobicContact CD-CB 3.73Å; K50-P95 VanDerWaalsContact NZ-CB 3.28Å; K50-C96 VanDerWaalsContact CD-O 3.26Å; K50-C96 WeakPolarHBondContact CD-O 3.31Å; K50-C96 WeakPolarHBondContact CG-O 3.36Å; K50-N97 WeakPolarHBondContact CE-OD1 3.39Å; K50-N97 PolarHBondContact NZ-OD1 2.98Å
51	C	90.4	Very high	82.5	Confident	13 Å²	13	38.6 Å²	38.6	9%	0.088	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.6	176.9	62.5	0	0	0	0	110	L49 G64 C96	L49-C51 WeakPolarHBondContact CD1-O 3.45Å; C51-G64 PolarHBondContact N-O 3.17Å; C51-G64 PolarHBondContact O-N 3.36Å; C51-C96 PolarHBondContact SG-O 2.95Å
52	L	91.2	Very high	83.3	Confident	15 Å²	15	36.1 Å²	36.1	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.3	175.8	74.8	85.9	0	0	0	110.3	L5 L17 Y19 L24 L49 L61 A62 T63	L5-L52 HydrophobicContact CD1-CD1 3.15Å; L5-L52 HydrophobicContact CD1-CD2 4.21Å; L5-L52 HydrophobicContact CD1-CG 3.57Å; L17-L52 HydrophobicContact CD2-CD1 3.87Å; L17-L52 HydrophobicContact CD2-CD2 4.05Å; Y19-L52 HydrophobicContact CD1-CD2 3.28Å; Y19-L52 HydrophobicContact CD1-CG 4.17Å; Y19-L52 HydrophobicContact CD2-CD2 4.27Å; Y19-L52 HydrophobicContact CE1-CD2 3.4Å; Y19-L52 HydrophobicContact CE1-CG 3.82Å; Y19-L52 HydrophobicContact CE2-CD2 4.42Å; Y19-L52 HydrophobicContact CG-CD2 3.72Å; L24-L52 HydrophobicContact CD1-CD2 4.43Å; L49-L52 HydrophobicContact CD1-CB 4.42Å; L49-L52 HydrophobicContact CD2-CD2 3.96Å; L52-L61 HydrophobicContact CB-CD1 4.26Å; L52-L61 HydrophobicContact CD1-CD1 3.76Å; L52-A62 CarbonylContact C-O 3.55Å; L52-A62 WeakPolarHBondContact CA-O 3.49Å; L52-A62 WeakPolarHBondContact CB-O 3.42Å; L52-T63 HydrophobicContact CB-CG2 4.31Å
53	A	91.1	Very high	84.1	Confident	14 Å²	14	33.4 Å²	33.4	12%	0.116	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	145.8	175.1	0	0	0	0	0	111.4	A62 I99 W101	A53-A62 PolarHBondContact N-O 3.07Å; A53-A62 PolarHBondContact O-N 3.24Å; A53-I99 HydrophobicContact CB-CB 4.09Å; A53-I99 HydrophobicContact CB-CG2 3.79Å; A53-I99 WeakPolarHBondContact CB-O 3.33Å; A53-W101 PolarHBondContact O-NE1 2.85Å
54	W	87.9	Confident	85.1	Confident	29 Å²	29	31.1 Å²	31.1	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.4	176.4	-78.9	84.8	0	0	0	111.9	V7 L17 G58 L61 V75 F82	V7-W54 HydrophobicContact CB-CD2 4.29Å; V7-W54 HydrophobicContact CB-CZ2 4.37Å; V7-W54 HydrophobicContact CG1-CD2 3.56Å; V7-W54 HydrophobicContact CG1-CE3 3.54Å; V7-W54 HydrophobicContact CG1-CG 4.26Å; V7-W54 HydrophobicContact CG1-CH2 3.47Å; V7-W54 VanDerWaalsContact CG1-CH2 3.47Å; V7-W54 HydrophobicContact CG1-CZ2 3.58Å; V7-W54 HydrophobicContact CG1-CZ3 3.44Å; V7-W54 VanDerWaalsContact CG1-CZ3 3.44Å; V7-W54 HydrophobicContact CG2-CD2 4.25Å; V7-W54 HydrophobicContact CG2-CG 4.47Å; V7-W54 HydrophobicContact CG2-CZ2 3.88Å; L17-W54 HydrophobicContact CD2-CZ2 4.05Å; W54-G58 WeakPolarHBondContact CZ3-O 3.49Å; W54-L61 HydrophobicContact CD2-CB 4.35Å; W54-L61 HydrophobicContact CD2-CD1 4.28Å; W54-L61 HydrophobicContact CE3-CB 4.45Å; W54-L61 HydrophobicContact CG-CD1 4.34Å; W54-L61 HydrophobicContact CZ2-CB 4.46Å; W54-L61 HydrophobicContact CZ2-CD2 4.49Å; W54-V75 HydrophobicContact CE3-CG2 4.02Å; W54-V75 HydrophobicContact CH2-CB 3.89Å; W54-V75 HydrophobicContact CH2-CG1 3.49Å; W54-V75 VanDerWaalsContact CH2-CG1 3.49Å; W54-V75 HydrophobicContact CH2-CG2 3.29Å; W54-V75 HydrophobicContact CZ2-CG2 4.28Å; W54-V75 HydrophobicContact CZ3-CB 3.63Å; W54-V75 HydrophobicContact CZ3-CG1 3.62Å; W54-V75 HydrophobicContact CZ3-CG2 3.11Å; W54-F82 AromaticContact CH2-CE1 3.79Å; W54-F82 HydrophobicContact CH2-CE1 3.79Å; W54-F82 AromaticContact CZ2-CE1 3.77Å; W54-F82 HydrophobicContact CZ2-CE1 3.77Å; W54-F82 HydrophobicContact CZ2-CZ 4.32Å
55	S	88.1	Confident	86	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.021	19%	0.185	C	C	.	.			trans	-65.1	147.8	167	67.2	0	0	0	0	109.7	D57 G58 S59 S60	S55-D57 WeakPolarHBondContact CB-OD1 3.3Å; S55-D57 PolarHBondContact O-N 3.4Å; S55-D57 PolarHBondContact OG-OD1 3.09Å; S55-G58 PolarHBondContact O-N 2.96Å; S55-S59 PolarHBondContact OG-N 3.47Å; S55-S60 PolarHBondContact N-O 2.99Å; S55-S60 PolarHBondContact OG-N 3.07Å; S55-S60 PolarHBondContact OG-O 3.15Å
56	A	82.9	Confident	86.9	Confident	67 Å²	67	29.7 Å²	29.7	55%	0.554	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.2	-175.7	0	0	0	0	0	114.5	A103	A56-A103 HydrophobicContact CB-CB 4.33Å
57	D	80.9	Confident	87.5	Confident	54 Å²	54	30.7 Å²	30.7	29%	0.289	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.9	175.4	60.3	8.5	0	0	0	114.6	S55 S59 K106	S55-D57 WeakPolarHBondContact CB-OD1 3.3Å; S55-D57 PolarHBondContact O-N 3.4Å; S55-D57 PolarHBondContact OG-OD1 3.09Å; D57-S59 VanDerWaalsContact CG-OG 3.29Å; D57-S59 PolarHBondContact O-N 2.95Å; D57-S59 WeakPolarHBondContact OD1-CB 3.3Å; D57-S59 PolarHBondContact OD1-N 2.93Å; D57-S59 VanDerWaalsContact OD1-N 3.09Å; D57-S59 PolarHBondContact OD1-OG 3.28Å; D57-S59 PolarHBondContact OD2-OG 3.42Å; D57-K106 WeakPolarHBondContact OD2-CD 3.16Å; D57-K106 WeakPolarHBondContact OD2-CE 3.35Å; D57-K106 IonicContact OD2-NZ 2.73Å; D57-K106 PolarHBondContact OD2-NZ 3.34Å
58	G	81.2	Confident	88.2	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	68.5	14.4	-178.8	0	0	0	0	0	114.2	W54 S55	W54-G58 WeakPolarHBondContact CZ3-O 3.49Å; S55-G58 PolarHBondContact O-N 2.96Å
59	S	84.4	Confident	88.6	Confident	31 Å²	31	26.3 Å²	26.3	22%	0.217	14%	0.14	C	C	.	.	S	Bend	trans	-88.3	-21.3	-178.2	70.5	0	0	0	0	114	S55 D57 V75	S55-S59 PolarHBondContact OG-N 3.47Å; D57-S59 VanDerWaalsContact CG-OG 3.29Å; D57-S59 PolarHBondContact O-N 2.95Å; D57-S59 WeakPolarHBondContact OD1-CB 3.3Å; D57-S59 PolarHBondContact OD1-N 2.93Å; D57-S59 VanDerWaalsContact OD1-N 3.09Å; D57-S59 PolarHBondContact OD1-OG 3.28Å; D57-S59 PolarHBondContact OD2-OG 3.42Å; S59-V75 PolarHBondContact O-N 3.41Å
60	S	87.4	Confident	88.8	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.4	-172.8	-51.5	0	0	0	0	111.4	S55 F73 L131	S55-S60 PolarHBondContact N-O 2.99Å; S55-S60 PolarHBondContact OG-N 3.07Å; S55-S60 PolarHBondContact OG-O 3.15Å; S60-F73 CarbonylContact C-O 3.6Å; S60-F73 VanDerWaalsContact CA-O 3.25Å; S60-F73 WeakPolarHBondContact CA-O 3.48Å; S60-L131 WeakPolarHBondContact OG-CD2 3.37Å
61	L	88.5	Confident	88.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133	178	167.4	66	0	0	0	108.9	L24 L52 W54 T63 I72 F73 V75 F82	L24-L61 HydrophobicContact CD2-CD2 4.46Å; L52-L61 HydrophobicContact CB-CD1 4.26Å; L52-L61 HydrophobicContact CD1-CD1 3.76Å; W54-L61 HydrophobicContact CD2-CB 4.35Å; W54-L61 HydrophobicContact CD2-CD1 4.28Å; W54-L61 HydrophobicContact CE3-CB 4.45Å; W54-L61 HydrophobicContact CG-CD1 4.34Å; W54-L61 HydrophobicContact CZ2-CB 4.46Å; W54-L61 HydrophobicContact CZ2-CD2 4.49Å; L61-T63 HydrophobicContact CD1-CG2 4.34Å; L61-T63 HydrophobicContact CD2-CG2 4.12Å; L61-T63 HydrophobicContact CG-CG2 4.05Å; L61-I72 CarbonylContact O-C 3.58Å; L61-I72 WeakPolarHBondContact O-CA 3.41Å; L61-F73 HydrophobicContact CB-CB 4.29Å; L61-F73 HydrophobicContact CD2-CD2 4.43Å; L61-F73 HydrophobicContact CG-CD2 4.41Å; L61-F73 PolarHBondContact N-O 3.05Å; L61-F73 PolarHBondContact O-N 3.13Å; L61-V75 HydrophobicContact CB-CG2 3.93Å; L61-F82 HydrophobicContact CD2-CD1 3.61Å; L61-F82 HydrophobicContact CD2-CE1 3.56Å; L61-F82 HydrophobicContact CD2-CG 4.42Å; L61-F82 HydrophobicContact CD2-CZ 4.35Å
62	A	91.3	Very high	88.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.5	169.7	0	0	0	0	0	109.5	L52 A53 S71 I72 I99 W101 L109	L52-A62 CarbonylContact C-O 3.55Å; L52-A62 WeakPolarHBondContact CA-O 3.49Å; L52-A62 WeakPolarHBondContact CB-O 3.42Å; A53-A62 PolarHBondContact N-O 3.07Å; A53-A62 PolarHBondContact O-N 3.24Å; A62-S71 CarbonylContact C-O 3.52Å; A62-S71 WeakPolarHBondContact CA-O 3.42Å; A62-I72 HydrophobicContact CB-CD1 3.6Å; A62-I99 HydrophobicContact CB-CD1 4.5Å; A62-I99 HydrophobicContact CB-CG2 3.87Å; A62-W101 HydrophobicContact CB-CZ2 3.77Å; A62-L109 HydrophobicContact CB-CD1 4.22Å; A62-L109 HydrophobicContact CB-CD2 3.94Å
63	T	91	Very high	88.5	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.4	178.4	63.6	0	0	0	0	110.3	F46 L49 L52 L61 V70 S71 F73	F46-T63 HydrophobicContact CD1-CG2 4.26Å; F46-T63 HydrophobicContact CE1-CG2 4.33Å; L49-T63 VanDerWaalsContact CD1-CB 3.5Å; L49-T63 HydrophobicContact CD1-CG2 3.88Å; L52-T63 HydrophobicContact CB-CG2 4.31Å; L61-T63 HydrophobicContact CD1-CG2 4.34Å; L61-T63 HydrophobicContact CD2-CG2 4.12Å; L61-T63 HydrophobicContact CG-CG2 4.05Å; T63-V70 CarbonylContact O-C 3.51Å; T63-V70 WeakPolarHBondContact O-CA 3.43Å; T63-S71 PolarHBondContact N-O 3.45Å; T63-S71 PolarHBondContact O-N 3.3Å; T63-S71 WeakPolarHBondContact OG1-CB 3.4Å; T63-S71 PolarHBondContact OG1-O 2.92Å; T63-F73 HydrophobicContact CG2-CD2 4.22Å; T63-F73 HydrophobicContact CG2-CE2 3.91Å; T63-F73 WeakPolarHBondContact OG1-CE2 3.37Å
64	G	92.2	Very high	88.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.9	176.1	0	0	0	0	0	110.6	K50 C51 I99	K50-G64 WeakPolarHBondContact CA-O 3.4Å; K50-G64 WeakPolarHBondContact CB-O 3.32Å; K50-G64 PolarHBondContact N-O 3.37Å; C51-G64 PolarHBondContact N-O 3.17Å; C51-G64 PolarHBondContact O-N 3.36Å; G64-I99 VanDerWaalsContact CA-CD1 3.49Å
65	N	92	Very high	87.7	Confident	18 Å²	18	23.4 Å²	23.4	10%	0.096	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	166.6	-173.7	-70.1	-8.1	0	0	0	112.6	C48 D67 G68 R69 C96	C48-N65 VanDerWaalsContact O-CA 3.26Å; C48-N65 WeakPolarHBondContact O-CA 3.16Å; C48-N65 WeakPolarHBondContact O-CB 3.41Å; N65-D67 VanDerWaalsContact C-N 3.25Å; N65-D67 WeakPolarHBondContact CB-OD1 3.5Å; N65-D67 PolarHBondContact O-N 2.92Å; N65-G68 PolarHBondContact O-N 2.93Å; N65-R69 HydrophobicContact CB-CB 4.33Å; N65-R69 WeakPolarHBondContact CB-O 3.4Å; N65-R69 PolarHBondContact N-O 3.48Å; N65-C96 PolarHBondContact O-N 2.97Å
66	F	91.1	Very high	87.2	Confident	90 Å²	90	27 Å²	27	40%	0.395	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.1	173.3	-79.5	-77.1	0	0	0	114.2	M1 C48 K50 P95	M1-F66 HydrophobicContact CE-CE2 3.31Å; M1-F66 HydrophobicContact CE-CZ 3.26Å; C48-F66 WeakPolarHBondContact O-CD2 3.22Å; C48-F66 PolarHBondContact O-N 2.88Å; K50-F66 HydrophobicContact CB-CD1 4.37Å; K50-F66 HydrophobicContact CB-CD2 4.05Å; K50-F66 HydrophobicContact CB-CE1 4.39Å; K50-F66 HydrophobicContact CB-CE2 4.08Å; K50-F66 HydrophobicContact CB-CG 4.21Å; K50-F66 HydrophobicContact CB-CZ 4.24Å; K50-F66 HydrophobicContact CD-CD1 3.73Å; K50-F66 HydrophobicContact CD-CE1 3.68Å; K50-F66 HydrophobicContact CD-CG 4.34Å; K50-F66 HydrophobicContact CD-CZ 4.27Å; K50-F66 HydrophobicContact CG-CD1 4.4Å; K50-F66 HydrophobicContact CG-CE1 4.13Å; K50-F66 HydrophobicContact CG-CZ 4.21Å; F66-P95 VanDerWaalsContact O-CA 3.32Å; F66-P95 WeakPolarHBondContact O-CA 3.2Å
67	D	90.3	Very high	86.6	Confident	57 Å²	57	29 Å²	29	31%	0.305	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.9	172.8	68.5	-14.9	0	0	0	112.4	N65 R69 S93 R94	N65-D67 VanDerWaalsContact C-N 3.25Å; N65-D67 WeakPolarHBondContact CB-OD1 3.5Å; N65-D67 PolarHBondContact O-N 2.92Å; D67-R69 VanDerWaalsContact OD1-CB 3.28Å; D67-R69 WeakPolarHBondContact OD1-CB 3.46Å; D67-R69 PolarHBondContact OD1-N 3.47Å; D67-R69 IonicContact OD2-NE 3.86Å; D67-R69 IonicContact OD2-NH2 2.63Å; D67-S93 WeakPolarHBondContact O-CA 3.23Å; D67-S93 PolarHBondContact O-OG 2.92Å; D67-R94 CarbonylContact C-O 3.55Å; D67-R94 PolarHBondContact O-N 3.14Å
68	G	90.7	Very high	86.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.			trans	89.4	-3	-178	0	0	0	0	0	114.7	N65 V70 P90 R94 F113	N65-G68 PolarHBondContact O-N 2.93Å; G68-V70 PolarHBondContact O-N 3.27Å; G68-P90 WeakPolarHBondContact O-CD 3.41Å; G68-P90 WeakPolarHBondContact O-CG 3.26Å; G68-R94 WeakPolarHBondContact CA-O 3.27Å; G68-R94 PolarHBondContact N-O 3.49Å; G68-R94 VanDerWaalsContact N-O 3.12Å; G68-F113 VanDerWaalsContact O-CE1 3.25Å; G68-F113 WeakPolarHBondContact O-CE1 3.43Å
69	R	91.2	Very high	85.3	Confident	95 Å²	95	38 Å²	38	36%	0.358	19%	0.191	S	C	.	.			trans	-62.1	132.6	173.4	-174.6	-176.4	-48.5	-152.8	4.3	110	N65 D67 D87 L89	N65-R69 HydrophobicContact CB-CB 4.33Å; N65-R69 WeakPolarHBondContact CB-O 3.4Å; N65-R69 PolarHBondContact N-O 3.48Å; D67-R69 VanDerWaalsContact OD1-CB 3.28Å; D67-R69 WeakPolarHBondContact OD1-CB 3.46Å; D67-R69 PolarHBondContact OD1-N 3.47Å; D67-R69 IonicContact OD2-NE 3.86Å; D67-R69 IonicContact OD2-NH2 2.63Å; R69-D87 HydrophobicContact CG-CB 4.2Å; R69-D87 IonicContact NH1-OD2 2.93Å; R69-D87 PolarHBondContact NH1-OD2 3.32Å; R69-L89 HydrophobicContact CB-CD2 4.29Å; R69-L89 HydrophobicContact CG-CD2 3.88Å
70	V	91.7	Very high	84.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	105.5	170.8	177.3	0	0	0	0	109.7	T63 G68 I72 D87 L88 C96 I99 L109 V111 F113	T63-V70 CarbonylContact O-C 3.51Å; T63-V70 WeakPolarHBondContact O-CA 3.43Å; G68-V70 PolarHBondContact O-N 3.27Å; V70-I72 HydrophobicContact CG1-CD1 4.2Å; V70-D87 CarbonylContact O-C 3.52Å; V70-L88 HydrophobicContact CB-CB 4.1Å; V70-L88 HydrophobicContact CB-CD1 4.46Å; V70-L88 HydrophobicContact CG1-CD1 4.23Å; V70-L88 PolarHBondContact N-O 3.42Å; V70-L88 PolarHBondContact O-N 2.91Å; V70-C96 HydrophobicContact CG2-CB 4.2Å; V70-I99 HydrophobicContact CG1-CD1 3.84Å; V70-I99 HydrophobicContact CG2-CD1 4.18Å; V70-L109 HydrophobicContact CG1-CD2 4.31Å; V70-V111 HydrophobicContact CG1-CG2 4.45Å; V70-V111 HydrophobicContact CG2-CG1 3.72Å; V70-F113 HydrophobicContact CG2-CE1 4.32Å; V70-F113 HydrophobicContact CG2-CZ 4.27Å
71	S	88.6	Confident	83.6	Confident	9 Å²	9	39.6 Å²	39.6	6%	0.063	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.8	-178.9	-63	0	0	0	0	110.7	A62 T63 D87	A62-S71 CarbonylContact C-O 3.52Å; A62-S71 WeakPolarHBondContact CA-O 3.42Å; T63-S71 PolarHBondContact N-O 3.45Å; T63-S71 PolarHBondContact O-N 3.3Å; T63-S71 WeakPolarHBondContact OG1-CB 3.4Å; T63-S71 PolarHBondContact OG1-O 2.92Å; S71-D87 VanDerWaalsContact CB-OD1 3.26Å; S71-D87 WeakPolarHBondContact CB-OD1 3.44Å; S71-D87 PolarHBondContact OG-OD1 3.01Å
72	I	89.2	Confident	83.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.9	178.9	-49.9	-59.5	0	0	0	108.8	L61 A62 V70 L85 G86 W101 L109 L127 L131	L61-I72 CarbonylContact O-C 3.58Å; L61-I72 WeakPolarHBondContact O-CA 3.41Å; A62-I72 HydrophobicContact CB-CD1 3.6Å; V70-I72 HydrophobicContact CG1-CD1 4.2Å; I72-L85 HydrophobicContact CG2-CB 4.4Å; I72-L85 HydrophobicContact CG2-CD1 4.25Å; I72-L85 PolarHBondContact O-N 3.01Å; I72-G86 PolarHBondContact N-O 3.43Å; I72-G86 PolarHBondContact O-N 2.95Å; I72-W101 HydrophobicContact CD1-CZ2 4.41Å; I72-W101 HydrophobicContact CG2-CH2 4.38Å; I72-W101 HydrophobicContact CG2-CZ2 4.48Å; I72-L109 HydrophobicContact CD1-CD2 3.77Å; I72-L127 HydrophobicContact CD1-CD1 3.87Å; I72-L127 HydrophobicContact CG1-CD1 4.15Å; I72-L131 HydrophobicContact CG2-CD2 4.44Å
73	F	86.5	Confident	82.7	Confident	22 Å²	22	44.3 Å²	44.3	10%	0.096	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.3	179.8	-56.4	-92.1	0	0	0	110.2	F46 S60 L61 T63 F82 V83	F46-F73 HydrophobicContact CD1-CE2 4.42Å; F46-F73 HydrophobicContact CD1-CZ 4.3Å; F46-F73 HydrophobicContact CE1-CD2 4.28Å; F46-F73 AromaticContact CE1-CE1 3.97Å; F46-F73 HydrophobicContact CE1-CE1 3.97Å; F46-F73 AromaticContact CE1-CE2 3.7Å; F46-F73 HydrophobicContact CE1-CE2 3.7Å; F46-F73 AromaticContact CE1-CZ 3.55Å; F46-F73 HydrophobicContact CE1-CZ 3.55Å; S60-F73 CarbonylContact C-O 3.6Å; S60-F73 VanDerWaalsContact CA-O 3.25Å; S60-F73 WeakPolarHBondContact CA-O 3.48Å; L61-F73 HydrophobicContact CB-CB 4.29Å; L61-F73 HydrophobicContact CD2-CD2 4.43Å; L61-F73 HydrophobicContact CG-CD2 4.41Å; L61-F73 PolarHBondContact N-O 3.05Å; L61-F73 PolarHBondContact O-N 3.13Å; T63-F73 HydrophobicContact CG2-CD2 4.22Å; T63-F73 HydrophobicContact CG2-CE2 3.91Å; T63-F73 WeakPolarHBondContact OG1-CE2 3.37Å; F73-F82 HydrophobicContact CB-CB 4.11Å; F73-F82 HydrophobicContact CD1-CB 4.01Å; F73-F82 HydrophobicContact CG-CB 4.22Å; F73-V83 CarbonylContact C-O 3.56Å; F73-V83 VanDerWaalsContact CA-O 3.27Å; F73-V83 WeakPolarHBondContact CA-O 3.39Å
74	S	84	Confident	82.3	Confident	18 Å²	18	47.6 Å²	47.6	13%	0.126	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.2	160.6	-175.6	0	0	0	0	108	V83	S74-V83 PolarHBondContact N-O 3.44Å; S74-V83 PolarHBondContact O-N 3.29Å
75	V	79.5	Confident	81.8	Confident	20 Å²	20	49.7 Å²	49.7	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.5	179.8	178.2	0	0	0	0	109.1	W54 S59 L61 P81 F82	W54-V75 HydrophobicContact CE3-CG2 4.02Å; W54-V75 HydrophobicContact CH2-CB 3.89Å; W54-V75 HydrophobicContact CH2-CG1 3.49Å; W54-V75 VanDerWaalsContact CH2-CG1 3.49Å; W54-V75 HydrophobicContact CH2-CG2 3.29Å; W54-V75 HydrophobicContact CZ2-CG2 4.28Å; W54-V75 HydrophobicContact CZ3-CB 3.63Å; W54-V75 HydrophobicContact CZ3-CG1 3.62Å; W54-V75 HydrophobicContact CZ3-CG2 3.11Å; S59-V75 PolarHBondContact O-N 3.41Å; L61-V75 HydrophobicContact CB-CG2 3.93Å; V75-P81 CarbonylContact C-O 3.58Å; V75-P81 VanDerWaalsContact CA-O 3.23Å; V75-P81 WeakPolarHBondContact CA-O 3.23Å; V75-F82 HydrophobicContact CG1-CE1 4.44Å; V75-F82 HydrophobicContact CG2-CD1 3.82Å; V75-F82 HydrophobicContact CG2-CE1 3.94Å
76	N	76.4	Confident	81.3	Confident	77 Å²	77	49.4 Å²	49.4	41%	0.412	27%	0.268	S	S	.	.			trans	-128.3	111.9	177.1	-178.1	-2.2	0	0	0	108.4	T78 P81	N76-T78 PolarHBondContact ND2-OG1 2.88Å; N76-T78 VanDerWaalsContact ND2-OG1 3.08Å; N76-T78 PolarHBondContact O-N 2.79Å; N76-T78 PolarHBondContact OD1-OG1 3.16Å; N76-P81 PolarHBondContact N-O 3.47Å; N76-P81 WeakPolarHBondContact O-CA 3.32Å
77	R	71.6	Confident	80.9	Confident	110 Å²	110	46.7 Å²	46.7	42%	0.415	26%	0.257	S	S	.	.	S	Bend	trans	-70.3	29.4	-173	-59.5	178.7	176	93.1	-1.1	115	E15	E15-R77 VanDerWaalsContact CD-NE 3.31Å; E15-R77 WeakPolarHBondContact OE1-CD 3.26Å; E15-R77 IonicContact OE1-CZ 3.23Å; E15-R77 IonicContact OE1-NE 2.87Å; E15-R77 PolarHBondContact OE1-NE 2.95Å; E15-R77 IonicContact OE1-NH2 2.74Å; E15-R77 IonicContact OE2-CZ 3.61Å; E15-R77 VanDerWaalsContact OE2-CZ 3.32Å; E15-R77 IonicContact OE2-NE 3.69Å; E15-R77 PolarHBondContact OE2-NE 3.46Å; E15-R77 IonicContact OE2-NH2 3.65Å; E15-R77 PolarHBondContact OE2-NH2 2.78Å
78	T	70.2	Confident	80.6	Confident	78 Å²	78	44.1 Å²	44.1	48%	0.479	24%	0.244	S	C	.	.	S	Bend	trans	-113	-168.2	177.8	55.6	0	0	0	0	110.1	N76 A80	N76-T78 PolarHBondContact ND2-OG1 2.88Å; N76-T78 VanDerWaalsContact ND2-OG1 3.08Å; N76-T78 PolarHBondContact O-N 2.79Å; N76-T78 PolarHBondContact OD1-OG1 3.16Å; T78-A80 PolarHBondContact O-N 3.18Å
79	D	63.6	Low	80.2	Confident	167 Å²	167	46.7 Å²	46.7	89%	0.893	26%	0.257	S	S	*	.	S	Bend	trans	-51.4	-25.9	-169.8	-67.9	-18.2	0	0	0	116.1
80	A	66.2	Low	79.8	Confident	59 Å²	59	43.2 Å²	43.2	49%	0.488	25%	0.247	S	C	.	.	S	Bend	trans	-117.9	89.4	174.5	0	0	0	0	0	110.1	T78 F82	T78-A80 PolarHBondContact O-N 3.18Å; A80-F82 VanDerWaalsContact C-N 3.32Å; A80-F82 PolarHBondContact O-N 2.88Å
81	P	70.3	Confident	79.2	Confident	7 Å²	7	48 Å²	48	5%	0.045	27%	0.27	C	S	.	.			trans	-67.6	-30.1	-167.1	25.3	-33.9	0	0	0	114.5	N42 D44 V75 N76	N42-P81 HydrophobicContact CB-CG 4.04Å; D44-P81 VanDerWaalsContact OD2-CG 3.25Å; D44-P81 WeakPolarHBondContact OD2-CG 3.42Å; V75-P81 CarbonylContact C-O 3.58Å; V75-P81 VanDerWaalsContact CA-O 3.23Å; V75-P81 WeakPolarHBondContact CA-O 3.23Å; N76-P81 PolarHBondContact N-O 3.47Å; N76-P81 WeakPolarHBondContact O-CA 3.32Å
82	F	79.2	Confident	79.1	Confident	28 Å²	28	51 Å²	51	12%	0.123	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	109.4	-176.6	-52.7	-73	0	0	0	111	L17 L24 D44 F46 W54 L61 F73 V75 A80	L17-F82 HydrophobicContact CD1-CZ 4.45Å; L24-F82 HydrophobicContact CD2-CD2 4.16Å; L24-F82 HydrophobicContact CD2-CE1 4.43Å; L24-F82 HydrophobicContact CD2-CE2 3.52Å; L24-F82 HydrophobicContact CD2-CZ 3.68Å; L24-F82 HydrophobicContact CG-CE2 4.45Å; D44-F82 HydrophobicContact CB-CD2 4.48Å; D44-F82 VanDerWaalsContact OD2-CD2 3.23Å; D44-F82 WeakPolarHBondContact OD2-CD2 3.5Å; F46-F82 HydrophobicContact CE2-CD2 4.17Å; F46-F82 HydrophobicContact CZ-CB 4.26Å; F46-F82 HydrophobicContact CZ-CD2 4.03Å; F46-F82 HydrophobicContact CZ-CG 4.17Å; W54-F82 AromaticContact CH2-CE1 3.79Å; W54-F82 HydrophobicContact CH2-CE1 3.79Å; W54-F82 AromaticContact CZ2-CE1 3.77Å; W54-F82 HydrophobicContact CZ2-CE1 3.77Å; W54-F82 HydrophobicContact CZ2-CZ 4.32Å; L61-F82 HydrophobicContact CD2-CD1 3.61Å; L61-F82 HydrophobicContact CD2-CE1 3.56Å; L61-F82 HydrophobicContact CD2-CG 4.42Å; L61-F82 HydrophobicContact CD2-CZ 4.35Å; F73-F82 HydrophobicContact CB-CB 4.11Å; F73-F82 HydrophobicContact CD1-CB 4.01Å; F73-F82 HydrophobicContact CG-CB 4.22Å; V75-F82 HydrophobicContact CG1-CE1 4.44Å; V75-F82 HydrophobicContact CG2-CD1 3.82Å; V75-F82 HydrophobicContact CG2-CE1 3.94Å; A80-F82 VanDerWaalsContact C-N 3.32Å; A80-F82 PolarHBondContact O-N 2.88Å
83	V	81.2	Confident	79.1	Confident	72 Å²	72	55.7 Å²	55.7	44%	0.436	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.3	174.5	180	0	0	0	0	108.7	F73 S74 L85	F73-V83 CarbonylContact C-O 3.56Å; F73-V83 VanDerWaalsContact CA-O 3.27Å; F73-V83 WeakPolarHBondContact CA-O 3.39Å; S74-V83 PolarHBondContact N-O 3.44Å; S74-V83 PolarHBondContact O-N 3.29Å; V83-L85 PolarHBondContact O-N 2.7Å
84	S	82.1	Confident	79.5	Confident	72 Å²	72	55.1 Å²	55.1	50%	0.503	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	121.5	177.6	-177.8	0	0	0	0	111.2
85	L	82.2	Confident	80	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.225	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-27.3	174.7	-64.7	-179.7	0	0	0	112.3	I72 V83 L131	I72-L85 HydrophobicContact CG2-CB 4.4Å; I72-L85 HydrophobicContact CG2-CD1 4.25Å; I72-L85 PolarHBondContact O-N 3.01Å; V83-L85 PolarHBondContact O-N 2.7Å; L85-L131 HydrophobicContact CD1-CD2 3.89Å
86	G	80.8	Confident	80.7	Confident	13 Å²	13	54.8 Å²	54.8	13%	0.134	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	169.7	176.9	0	0	0	0	0	113.2	I72	I72-G86 PolarHBondContact N-O 3.43Å; I72-G86 PolarHBondContact O-N 2.95Å
87	D	83.9	Confident	81.6	Confident	33 Å²	33	52.5 Å²	52.5	18%	0.176	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.9	178.7	-67.9	-20	0	0	0	109.9	R69 V70 S71 L89 L143	R69-D87 HydrophobicContact CG-CB 4.2Å; R69-D87 IonicContact NH1-OD2 2.93Å; R69-D87 PolarHBondContact NH1-OD2 3.32Å; V70-D87 CarbonylContact O-C 3.52Å; S71-D87 VanDerWaalsContact CB-OD1 3.26Å; S71-D87 WeakPolarHBondContact CB-OD1 3.44Å; S71-D87 PolarHBondContact OG-OD1 3.01Å; D87-L89 HydrophobicContact CB-CG 4.49Å; D87-L143 CarbonylContact O-C 3.6Å; D87-L143 WeakPolarHBondContact O-CA 3.4Å; D87-L143 WeakPolarHBondContact O-CB 3.48Å; D87-L143 PolarHBondContact O-N 2.91Å
88	L	84.5	Confident	82.7	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.5	162.5	-57.7	172.7	0	0	0	108.7	V70 L109 L127 L143 L145	V70-L88 HydrophobicContact CB-CB 4.1Å; V70-L88 HydrophobicContact CB-CD1 4.46Å; V70-L88 HydrophobicContact CG1-CD1 4.23Å; V70-L88 PolarHBondContact N-O 3.42Å; V70-L88 PolarHBondContact O-N 2.91Å; L88-L109 HydrophobicContact CD1-CD2 4.45Å; L88-L127 HydrophobicContact CD1-CD2 4.03Å; L88-L127 HydrophobicContact CD2-CD2 4.31Å; L88-L143 WeakPolarHBondContact CA-O 3.19Å; L88-L143 HydrophobicContact CD2-CB 4.32Å; L88-L145 HydrophobicContact CB-CD1 4.06Å; L88-L145 HydrophobicContact CB-CG 4.1Å; L88-L145 HydrophobicContact CD2-CD2 4.33Å
89	L	82.4	Confident	83.9	Confident	53 Å²	53	44.8 Å²	44.8	28%	0.277	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.7	-179.3	-65	169.9	0	0	0	110.4	R69 D87 L143 L144 L145	R69-L89 HydrophobicContact CB-CD2 4.29Å; R69-L89 HydrophobicContact CG-CD2 3.88Å; D87-L89 HydrophobicContact CB-CG 4.49Å; L89-L143 PolarHBondContact N-O 3Å; L89-L144 HydrophobicContact CB-CD2 4.18Å; L89-L144 HydrophobicContact CD1-CD2 4.02Å; L89-L145 VanDerWaalsContact O-CB 3.23Å; L89-L145 WeakPolarHBondContact O-CB 3.3Å; L89-L145 PolarHBondContact O-N 3.4Å
90	P	81	Confident	85.4	Confident	22 Å²	22	37.4 Å²	37.4	14%	0.143	23%	0.227	C	C	.	.			trans	-68.3	155.8	176.7	30	-34.8	0	0	0	110.5	G68 H92 F113	G68-P90 WeakPolarHBondContact O-CD 3.41Å; G68-P90 WeakPolarHBondContact O-CG 3.26Å; P90-H92 PolarHBondContact O-N 3.42Å; P90-F113 HydrophobicContact CB-CE1 4.16Å; P90-F113 HydrophobicContact CB-CE2 4.47Å; P90-F113 HydrophobicContact CB-CZ 4.01Å; P90-F113 HydrophobicContact CG-CE1 4.25Å; P90-F113 HydrophobicContact CG-CZ 4.47Å
91	M	80.4	Confident	86.8	Confident	102 Å²	102	35.5 Å²	35.5	50%	0.502	21%	0.207	S	C	.	.	S	Bend	trans	-58.3	-32.5	175.9	-70.3	-72.6	-68.8	0	0	112.5	C146	M91-C146 HydrophobicContact SD-CB 4.43Å; M91-C146 PolarHBondContact SD-SG 3.43Å
92	H	86.1	Confident	87.9	Confident	70 Å²	70	35.4 Å²	35.4	32%	0.324	21%	0.206	S	C	.	.	S	Bend	trans	-133.5	132	-178.5	-55	-68.9	0	0	0	109.9	P90 R94 H116 D119	P90-H92 PolarHBondContact O-N 3.42Å; H92-R94 PolarHBondContact O-N 3.35Å; H92-R94 VanDerWaalsContact O-N 3.17Å; H92-R94 PolarHBondContact O-NH1 2.88Å; H92-R94 VanDerWaalsContact O-NH1 3.13Å; H92-H116 AromaticContact CD2-CD2 3.42Å; H92-H116 PolarHBondContact CD2-CD2 3.21Å; H92-H116 VanDerWaalsContact CD2-CD2 3.42Å; H92-H116 AromaticContact CD2-NE2 3.37Å; H92-H116 PolarHBondContact CD2-NE2 2.99Å; H92-H116 AromaticContact CE1-NE2 3.98Å; H92-H116 AromaticContact CG-CD2 3.8Å; H92-H116 AromaticContact CG-CE1 3.8Å; H92-H116 AromaticContact CG-NE2 3.41Å; H92-H116 AromaticContact ND1-NE2 3.81Å; H92-H116 AromaticContact NE2-NE2 3.77Å; H92-D119 IonicContact CD2-OD2 2.98Å
93	S	90.2	Very high	88.4	Confident	100 Å²	100	37.1 Å²	37.1	70%	0.699	23%	0.226	S	C	*	.			trans	-61.7	112.8	177.7	174.6	0	0	0	0	110.5	D67	D67-S93 WeakPolarHBondContact O-CA 3.23Å; D67-S93 PolarHBondContact O-OG 2.92Å
94	R	93.7	Very high	88.9	Confident	11 Å²	11	37 Å²	37	4%	0.042	23%	0.233	C	C	.	.			trans	-160.2	150.5	178.3	66.5	-168.1	-176.3	-91.4	8.3	110.2	D67 G68 H92 C96 F113 D114 D119 M120	D67-R94 CarbonylContact C-O 3.55Å; D67-R94 PolarHBondContact O-N 3.14Å; G68-R94 WeakPolarHBondContact CA-O 3.27Å; G68-R94 PolarHBondContact N-O 3.49Å; G68-R94 VanDerWaalsContact N-O 3.12Å; H92-R94 PolarHBondContact O-N 3.35Å; H92-R94 VanDerWaalsContact O-N 3.17Å; H92-R94 PolarHBondContact O-NH1 2.88Å; H92-R94 VanDerWaalsContact O-NH1 3.13Å; R94-C96 PolarHBondContact O-N 2.9Å; R94-F113 HydrophobicContact CG-CB 4.06Å; R94-F113 HydrophobicContact CG-CD1 4.33Å; R94-F113 HydrophobicContact CG-CG 4.46Å; R94-F113 VanDerWaalsContact NE-CB 3.28Å; R94-D114 VanDerWaalsContact CD-O 3.29Å; R94-D114 WeakPolarHBondContact CD-O 3.28Å; R94-D114 PolarHBondContact NE-O 2.86Å; R94-D119 IonicContact CZ-OD2 3.25Å; R94-D119 VanDerWaalsContact CZ-OD2 3.23Å; R94-D119 IonicContact NH1-OD2 3.59Å; R94-D119 PolarHBondContact NH1-OD2 3.44Å; R94-D119 VanDerWaalsContact NH2-CG 3.32Å; R94-D119 IonicContact NH2-OD2 2.73Å; R94-D119 PolarHBondContact NH2-OD2 3.06Å; R94-M120 PolarHBondContact NH2-O 3.01Å
95	P	94.9	Very high	89.3	Confident	30 Å²	30	38.1 Å²	38.1	20%	0.195	23%	0.23	C	C	.	.			trans	-58.7	137.4	-174.1	-24.5	32.9	0	0	0	114.1	K50 F66 N97 F113 D114	K50-P95 HydrophobicContact CD-CB 3.73Å; K50-P95 VanDerWaalsContact NZ-CB 3.28Å; F66-P95 VanDerWaalsContact O-CA 3.32Å; F66-P95 WeakPolarHBondContact O-CA 3.2Å; P95-N97 PolarHBondContact O-N 2.91Å; P95-F113 WeakPolarHBondContact O-CA 3.39Å; P95-D114 HydrophobicContact CB-CB 4.37Å; P95-D114 HydrophobicContact CG-CB 4.38Å; P95-D114 PolarHBondContact O-N 3.35Å
96	C	94.9	Very high	89.5	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111	165.5	-174.6	0	0	0	0	109.2	K50 C51 N65 V70 R94 G112 F113	K50-C96 VanDerWaalsContact CD-O 3.26Å; K50-C96 WeakPolarHBondContact CD-O 3.31Å; K50-C96 WeakPolarHBondContact CG-O 3.36Å; C51-C96 PolarHBondContact SG-O 2.95Å; N65-C96 PolarHBondContact O-N 2.97Å; V70-C96 HydrophobicContact CG2-CB 4.2Å; R94-C96 PolarHBondContact O-N 2.9Å; C96-G112 CarbonylContact C-O 3.51Å; C96-G112 WeakPolarHBondContact CA-O 3.38Å; C96-F113 HydrophobicContact CB-CD1 4.07Å; C96-F113 HydrophobicContact CB-CE1 3.94Å
97	N	95.2	Very high	89.8	Confident	30 Å²	30	41.6 Å²	41.6	16%	0.16	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-32.1	-173.1	-73.6	-27.2	0	0	0	113.2	K50 P95 G112 D114 T164	K50-N97 WeakPolarHBondContact CE-OD1 3.39Å; K50-N97 PolarHBondContact NZ-OD1 2.98Å; P95-N97 PolarHBondContact O-N 2.91Å; N97-G112 PolarHBondContact N-O 2.79Å; N97-D114 WeakPolarHBondContact ND2-CA 2.81Å; N97-D114 PolarHBondContact ND2-N 3.48Å; N97-T164 WeakPolarHBondContact CB-O 3.38Å; N97-T164 PolarHBondContact ND2-O 3.26Å; N97-T164 VanDerWaalsContact ND2-O 3.14Å
98	G	93.7	Very high	90.2	Very high	9 Å²	9	40.4 Å²	40.4	9%	0.093	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	143.8	-177.2	0	0	0	0	0	112.1	G112	G98-G112 PolarHBondContact N-O 3.42Å; G98-G112 PolarHBondContact O-N 2.71Å
99	I	95.2	Very high	90.7	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.087	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.5	174.3	-62.8	174.3	0	0	0	107.2	A53 A62 G64 V70 L109 A110	A53-I99 HydrophobicContact CB-CB 4.09Å; A53-I99 HydrophobicContact CB-CG2 3.79Å; A53-I99 WeakPolarHBondContact CB-O 3.33Å; A62-I99 HydrophobicContact CB-CD1 4.5Å; A62-I99 HydrophobicContact CB-CG2 3.87Å; G64-I99 VanDerWaalsContact CA-CD1 3.49Å; V70-I99 HydrophobicContact CG1-CD1 3.84Å; V70-I99 HydrophobicContact CG2-CD1 4.18Å; I99-L109 HydrophobicContact CG2-CD1 3.4Å; I99-L109 HydrophobicContact CG2-CD2 4.17Å; I99-L109 HydrophobicContact CG2-CG 4.03Å; I99-A110 WeakPolarHBondContact CA-O 3.42Å
100	A	95.2	Very high	91.3	Very high	12 Å²	12	37.8 Å²	37.8	10%	0.099	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	120	175.9	0	0	0	0	0	111	A110 I167 W169	A100-A110 PolarHBondContact N-O 3.27Å; A100-A110 PolarHBondContact O-N 3Å; A100-I167 HydrophobicContact CB-CB 4.41Å; A100-I167 HydrophobicContact CB-CG2 4Å; A100-W169 PolarHBondContact O-NE1 3.17Å
101	W	94.8	Very high	92	Very high	19 Å²	19	36.8 Å²	36.8	7%	0.072	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	141.4	171.2	-71.1	92.2	0	0	0	110.6	A53 A62 I72 A103 K106 L109 L127 L131	A53-W101 PolarHBondContact O-NE1 2.85Å; A62-W101 HydrophobicContact CB-CZ2 3.77Å; I72-W101 HydrophobicContact CD1-CZ2 4.41Å; I72-W101 HydrophobicContact CG2-CH2 4.38Å; I72-W101 HydrophobicContact CG2-CZ2 4.48Å; W101-A103 PolarHBondContact O-N 2.98Å; W101-K106 VanDerWaalsContact CZ3-O 3.31Å; W101-K106 WeakPolarHBondContact CZ3-O 3.25Å; W101-L109 HydrophobicContact CB-CD1 4.48Å; W101-L109 HydrophobicContact CD2-CD1 3.56Å; W101-L109 HydrophobicContact CE3-CB 4.41Å; W101-L109 HydrophobicContact CE3-CD1 4.03Å; W101-L109 HydrophobicContact CG-CD1 3.75Å; W101-L109 HydrophobicContact CZ2-CD1 4.23Å; W101-L109 HydrophobicContact CZ3-CB 4.48Å; W101-L127 HydrophobicContact CH2-CD1 3.49Å; W101-L127 VanDerWaalsContact CH2-CD1 3.49Å; W101-L127 HydrophobicContact CZ2-CD1 4.36Å; W101-L127 HydrophobicContact CZ3-CD1 3.77Å; W101-L131 HydrophobicContact CH2-CD1 4.46Å; W101-L131 HydrophobicContact CH2-CD2 4.47Å; W101-L131 HydrophobicContact CZ3-CD1 4.21Å
102	N	94.3	Very high	92.8	Very high	4 Å²	4	32 Å²	32	2%	0.021	19%	0.192	C	C	.	.			trans	-74	125.2	170.2	-170.8	-54.6	0	0	0	109.4	A104 H105 V108 W169 A174	N102-A104 PolarHBondContact O-N 3.27Å; N102-A104 PolarHBondContact OD1-N 2.62Å; N102-H105 HydrophobicContact CB-CB 4.34Å; N102-H105 WeakPolarHBondContact CB-O 3.32Å; N102-H105 CarbonylContact O-C 3.47Å; N102-H105 PolarHBondContact OD1-N 3.21Å; N102-V108 HydrophobicContact CB-CB 3.83Å; N102-V108 HydrophobicContact CB-CG1 4.13Å; N102-V108 WeakPolarHBondContact CB-O 3.4Å; N102-V108 PolarHBondContact N-O 3.33Å; N102-W169 HydrophobicContact CB-CD2 4.35Å; N102-W169 HydrophobicContact CB-CZ2 4.19Å; N102-W169 WeakPolarHBondContact ND2-CZ3 3.2Å; N102-A174 PolarHBondContact ND2-O 3.01Å
103	A	89.8	Confident	93.2	Very high	65 Å²	65	28.6 Å²	28.6	54%	0.537	18%	0.177	S	C	.	.	S	Bend	trans	-68.8	-33.8	-174.6	0	0	0	0	0	113.3	A56 W101	A56-A103 HydrophobicContact CB-CB 4.33Å; W101-A103 PolarHBondContact O-N 2.98Å
104	A	90.9	Very high	93.5	Very high	70 Å²	70	26.7 Å²	26.7	58%	0.579	16%	0.159	S	C	*	.	S	Bend	trans	-88.6	-48.6	179.7	0	0	0	0	0	111.6	N102 K106 A174	N102-A104 PolarHBondContact O-N 3.27Å; N102-A104 PolarHBondContact OD1-N 2.62Å; A104-K106 PolarHBondContact O-N 3.26Å; A104-A174 HydrophobicContact CB-CB 3.6Å
105	H	90.8	Very high	93.5	Very high	95 Å²	95	31.7 Å²	31.7	44%	0.44	18%	0.183	S	C	.	.	S	Bend	trans	-93.1	81.6	177.6	-61	-59.7	0	0	0	110	N102 S107 V108	N102-H105 HydrophobicContact CB-CB 4.34Å; N102-H105 WeakPolarHBondContact CB-O 3.32Å; N102-H105 CarbonylContact O-C 3.47Å; N102-H105 PolarHBondContact OD1-N 3.21Å; H105-S107 PolarHBondContact O-N 3.38Å; H105-V108 HydrophobicContact CB-CB 4.08Å; H105-V108 HydrophobicContact CB-CG2 3.69Å; H105-V108 WeakPolarHBondContact O-CB 3.21Å; H105-V108 PolarHBondContact O-N 3.37Å
106	K	86.9	Confident	93.4	Very high	103 Å²	103	32.9 Å²	32.9	45%	0.448	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.3	-172.3	-60.1	175.3	168.9	-164.1	0	116	D57 W101 A104	D57-K106 WeakPolarHBondContact OD2-CD 3.16Å; D57-K106 WeakPolarHBondContact OD2-CE 3.35Å; D57-K106 IonicContact OD2-NZ 2.73Å; D57-K106 PolarHBondContact OD2-NZ 3.34Å; W101-K106 VanDerWaalsContact CZ3-O 3.31Å; W101-K106 WeakPolarHBondContact CZ3-O 3.25Å; A104-K106 PolarHBondContact O-N 3.26Å
107	S	87.9	Confident	93	Very high	26 Å²	26	37.8 Å²	37.8	18%	0.182	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.7	175	57.5	0	0	0	0	114	H105 N126 L127 T128	H105-S107 PolarHBondContact O-N 3.38Å; S107-N126 CarbonylContact O-C 3.55Å; S107-N126 PolarHBondContact OG-OD1 2.9Å; S107-L127 WeakPolarHBondContact O-CA 3.33Å; S107-L127 WeakPolarHBondContact O-CB 3.42Å; S107-L127 PolarHBondContact O-N 3.07Å; S107-T128 WeakPolarHBondContact CB-OG1 3.35Å; S107-T128 PolarHBondContact OG-OG1 3.33Å
108	V	92.4	Very high	92.5	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.2	-177.7	177.8	0	0	0	0	110	N102 H105 I124 V125 W169	N102-V108 HydrophobicContact CB-CB 3.83Å; N102-V108 HydrophobicContact CB-CG1 4.13Å; N102-V108 WeakPolarHBondContact CB-O 3.4Å; N102-V108 PolarHBondContact N-O 3.33Å; H105-V108 HydrophobicContact CB-CB 4.08Å; H105-V108 HydrophobicContact CB-CG2 3.69Å; H105-V108 WeakPolarHBondContact O-CB 3.21Å; H105-V108 PolarHBondContact O-N 3.37Å; V108-I124 HydrophobicContact CG1-CG2 3.49Å; V108-I124 VanDerWaalsContact CG1-CG2 3.49Å; V108-V125 WeakPolarHBondContact CA-O 3.42Å; V108-W169 HydrophobicContact CG1-CH2 4.21Å; V108-W169 HydrophobicContact CG1-CZ2 4.09Å
109	L	94.3	Very high	92.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.5	-179.8	-173	65.4	0	0	0	110.4	A62 V70 I72 L88 I99 W101 V111 I124 V125 L127	A62-L109 HydrophobicContact CB-CD1 4.22Å; A62-L109 HydrophobicContact CB-CD2 3.94Å; V70-L109 HydrophobicContact CG1-CD2 4.31Å; I72-L109 HydrophobicContact CD1-CD2 3.77Å; L88-L109 HydrophobicContact CD1-CD2 4.45Å; I99-L109 HydrophobicContact CG2-CD1 3.4Å; I99-L109 HydrophobicContact CG2-CD2 4.17Å; I99-L109 HydrophobicContact CG2-CG 4.03Å; W101-L109 HydrophobicContact CB-CD1 4.48Å; W101-L109 HydrophobicContact CD2-CD1 3.56Å; W101-L109 HydrophobicContact CE3-CB 4.41Å; W101-L109 HydrophobicContact CE3-CD1 4.03Å; W101-L109 HydrophobicContact CG-CD1 3.75Å; W101-L109 HydrophobicContact CZ2-CD1 4.23Å; W101-L109 HydrophobicContact CZ3-CB 4.48Å; L109-V111 HydrophobicContact CD2-CG2 3.88Å; L109-V111 HydrophobicContact CG-CG2 3.97Å; L109-I124 CarbonylContact O-C 3.57Å; L109-I124 WeakPolarHBondContact O-CA 3.35Å; L109-V125 PolarHBondContact N-O 3.32Å; L109-V125 PolarHBondContact O-N 2.98Å; L109-L127 HydrophobicContact CB-CD1 3.78Å; L109-L127 HydrophobicContact CB-CG 4.22Å; L109-L127 HydrophobicContact CD2-CD1 3.8Å; L109-L127 HydrophobicContact CG-CD1 4.39Å
110	A	95.4	Very high	92	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133	167.2	0	0	0	0	0	110.2	I99 A100 L122 F123 I167 W169	I99-A110 WeakPolarHBondContact CA-O 3.42Å; A100-A110 PolarHBondContact N-O 3.27Å; A100-A110 PolarHBondContact O-N 3Å; A110-L122 HydrophobicContact CB-CD1 4.47Å; A110-F123 CarbonylContact C-O 3.04Å; A110-F123 WeakPolarHBondContact CA-O 3.33Å; A110-I167 HydrophobicContact CB-CG2 3.92Å; A110-W169 HydrophobicContact CB-CZ2 3.82Å
111	V	95.7	Very high	91.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.1	-177.6	-178.4	0	0	0	0	109.3	V70 L109 F113 L122 F123	V70-V111 HydrophobicContact CG1-CG2 4.45Å; V70-V111 HydrophobicContact CG2-CG1 3.72Å; L109-V111 HydrophobicContact CD2-CG2 3.88Å; L109-V111 HydrophobicContact CG-CG2 3.97Å; V111-F113 HydrophobicContact CB-CE2 4.38Å; V111-F113 HydrophobicContact CG1-CD2 4.2Å; V111-F113 HydrophobicContact CG1-CE1 3.97Å; V111-F113 HydrophobicContact CG1-CE2 3.51Å; V111-F113 HydrophobicContact CG1-CZ 3.38Å; V111-L122 CarbonylContact O-C 3.58Å; V111-L122 WeakPolarHBondContact O-CA 3.36Å; V111-F123 PolarHBondContact N-O 2.95Å; V111-F123 PolarHBondContact O-N 2.96Å
112	G	95.8	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126	-179.7	0	0	0	0	0	111.1	C96 N97 G98 S121	C96-G112 CarbonylContact C-O 3.51Å; C96-G112 WeakPolarHBondContact CA-O 3.38Å; N97-G112 PolarHBondContact N-O 2.79Å; G98-G112 PolarHBondContact N-O 3.42Å; G98-G112 PolarHBondContact O-N 2.71Å; G112-S121 CarbonylContact C-O 3.57Å; G112-S121 WeakPolarHBondContact CA-O 3.42Å
113	F	96	Very high	91.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	161.7	177.9	-65.1	-70.8	0	0	0	111.9	G68 V70 P90 R94 P95 C96 V111 S121 F123 L145 T164	G68-F113 VanDerWaalsContact O-CE1 3.25Å; G68-F113 WeakPolarHBondContact O-CE1 3.43Å; V70-F113 HydrophobicContact CG2-CE1 4.32Å; V70-F113 HydrophobicContact CG2-CZ 4.27Å; P90-F113 HydrophobicContact CB-CE1 4.16Å; P90-F113 HydrophobicContact CB-CE2 4.47Å; P90-F113 HydrophobicContact CB-CZ 4.01Å; P90-F113 HydrophobicContact CG-CE1 4.25Å; P90-F113 HydrophobicContact CG-CZ 4.47Å; R94-F113 HydrophobicContact CG-CB 4.06Å; R94-F113 HydrophobicContact CG-CD1 4.33Å; R94-F113 HydrophobicContact CG-CG 4.46Å; R94-F113 VanDerWaalsContact NE-CB 3.28Å; P95-F113 WeakPolarHBondContact O-CA 3.39Å; C96-F113 HydrophobicContact CB-CD1 4.07Å; C96-F113 HydrophobicContact CB-CE1 3.94Å; V111-F113 HydrophobicContact CB-CE2 4.38Å; V111-F113 HydrophobicContact CG1-CD2 4.2Å; V111-F113 HydrophobicContact CG1-CE1 3.97Å; V111-F113 HydrophobicContact CG1-CE2 3.51Å; V111-F113 HydrophobicContact CG1-CZ 3.38Å; F113-S121 PolarHBondContact N-O 2.92Å; F113-S121 VanDerWaalsContact O-CB 3.31Å; F113-S121 WeakPolarHBondContact O-CB 3.19Å; F113-F123 AromaticContact CD2-CD2 3.54Å; F113-F123 HydrophobicContact CD2-CD2 3.54Å; F113-F123 AromaticContact CD2-CE2 3.6Å; F113-F123 HydrophobicContact CD2-CE2 3.6Å; F113-F123 AromaticContact CE2-CD2 3.51Å; F113-F123 HydrophobicContact CE2-CD2 3.51Å; F113-F123 AromaticContact CE2-CE2 3.78Å; F113-F123 HydrophobicContact CE2-CE2 3.78Å; F113-F123 HydrophobicContact CE2-CG 4.41Å; F113-L145 HydrophobicContact CE2-CD1 4.48Å; F113-L145 HydrophobicContact CZ-CD1 4.34Å; F113-T164 PolarHBondContact O-N 3.27Å
114	D	95.5	Very high	91.9	Very high	59 Å²	59	38.5 Å²	38.5	32%	0.316	22%	0.221	S	C	.	.			trans	-65.3	168.4	167.2	-146	-0.9	0	0	0	112.2	R94 P95 N97	R94-D114 VanDerWaalsContact CD-O 3.29Å; R94-D114 WeakPolarHBondContact CD-O 3.28Å; R94-D114 PolarHBondContact NE-O 2.86Å; P95-D114 HydrophobicContact CB-CB 4.37Å; P95-D114 HydrophobicContact CG-CB 4.38Å; P95-D114 PolarHBondContact O-N 3.35Å; N97-D114 WeakPolarHBondContact ND2-CA 2.81Å; N97-D114 PolarHBondContact ND2-N 3.48Å
115	E	93.5	Very high	92	Very high	117 Å²	117	35.2 Å²	35.2	55%	0.547	19%	0.194	S	C	.	.			trans	-61.1	137.1	-176.4	-170.1	-178.6	157.2	0	0	112.2
116	H	92.1	Very high	91.9	Very high	55 Å²	55	32.5 Å²	32.5	26%	0.255	18%	0.183	S	C	.	.			trans	-145.1	131.3	166.5	-166.5	76.3	0	0	0	109.8	H92 A118 D119 G161	H92-H116 AromaticContact CD2-CD2 3.42Å; H92-H116 PolarHBondContact CD2-CD2 3.21Å; H92-H116 VanDerWaalsContact CD2-CD2 3.42Å; H92-H116 AromaticContact CD2-NE2 3.37Å; H92-H116 PolarHBondContact CD2-NE2 2.99Å; H92-H116 AromaticContact CE1-NE2 3.98Å; H92-H116 AromaticContact CG-CD2 3.8Å; H92-H116 AromaticContact CG-CE1 3.8Å; H92-H116 AromaticContact CG-NE2 3.41Å; H92-H116 AromaticContact ND1-NE2 3.81Å; H92-H116 AromaticContact NE2-NE2 3.77Å; H116-A118 VanDerWaalsContact C-N 3.28Å; H116-A118 PolarHBondContact O-N 3.44Å; H116-D119 HydrophobicContact CB-CB 4.21Å; H116-D119 PolarHBondContact O-N 3.45Å; H116-D119 VanDerWaalsContact O-O 3.13Å; H116-G161 WeakPolarHBondContact O-CA 3.17Å
117	S	86.5	Confident	91.9	Very high	103 Å²	103	27.6 Å²	27.6	72%	0.72	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.3	-170.2	54.3	0	0	0	0	114.4
118	A	85.1	Confident	91.7	Very high	78 Å²	78	29.3 Å²	29.3	65%	0.645	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	2.1	-175.8	0	0	0	0	0	114.3	H116	H116-A118 VanDerWaalsContact C-N 3.28Å; H116-A118 PolarHBondContact O-N 3.44Å
119	D	87.5	Confident	90.8	Very high	20 Å²	20	36.5 Å²	36.5	11%	0.107	20%	0.197	C	C	.	.	S	Bend	trans	-133.6	165.9	-172.3	-159.6	6.6	0	0	0	111.6	H92 R94 H116 G161	H92-D119 IonicContact CD2-OD2 2.98Å; R94-D119 IonicContact CZ-OD2 3.25Å; R94-D119 VanDerWaalsContact CZ-OD2 3.23Å; R94-D119 IonicContact NH1-OD2 3.59Å; R94-D119 PolarHBondContact NH1-OD2 3.44Å; R94-D119 VanDerWaalsContact NH2-CG 3.32Å; R94-D119 IonicContact NH2-OD2 2.73Å; R94-D119 PolarHBondContact NH2-OD2 3.06Å; H116-D119 HydrophobicContact CB-CB 4.21Å; H116-D119 PolarHBondContact O-N 3.45Å; H116-D119 VanDerWaalsContact O-O 3.13Å; D119-G161 PolarHBondContact O-N 3.31Å
120	M	90.8	Very high	89.8	Confident	52 Å²	52	37 Å²	37	26%	0.256	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	150.6	176.4	-60.5	-67.4	167.4	0	0	109.8	R94 F123 K157 G159 S160	R94-M120 PolarHBondContact NH2-O 3.01Å; M120-F123 HydrophobicContact CB-CE2 4.34Å; M120-F123 HydrophobicContact CB-CZ 4.08Å; M120-F123 WeakPolarHBondContact O-CE2 3.26Å; M120-K157 HydrophobicContact CB-CB 4.17Å; M120-K157 HydrophobicContact CG-CB 4.11Å; M120-K157 HydrophobicContact CG-CD 4.13Å; M120-K157 HydrophobicContact CG-CG 4.11Å; M120-G159 CarbonylContact C-O 3.58Å; M120-G159 WeakPolarHBondContact CA-O 3.48Å; M120-S160 VanDerWaalsContact SD-CA 3.59Å; M120-S160 PolarHBondContact SD-N 3.08Å; M120-S160 VanDerWaalsContact SD-N 3.39Å
121	S	93.1	Very high	88.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-29.6	174.8	45.2	0	0	0	0	114.9	G112 F113 C158 G159 E162 T164	G112-S121 CarbonylContact C-O 3.57Å; G112-S121 WeakPolarHBondContact CA-O 3.42Å; F113-S121 PolarHBondContact N-O 2.92Å; F113-S121 VanDerWaalsContact O-CB 3.31Å; F113-S121 WeakPolarHBondContact O-CB 3.19Å; S121-C158 PolarHBondContact N-O 3.29Å; S121-G159 PolarHBondContact N-O 3.43Å; S121-G159 PolarHBondContact OG-O 3.28Å; S121-E162 WeakPolarHBondContact CB-O 3.35Å; S121-E162 PolarHBondContact OG-O 3.21Å; S121-T164 WeakPolarHBondContact CB-OG1 3.49Å; S121-T164 PolarHBondContact OG-OG1 2.89Å; S121-T164 VanDerWaalsContact OG-OG1 3.06Å
122	L	94.2	Very high	87.7	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.9	179.2	178.2	68.3	0	0	0	110.3	A110 V111 K157 C158 I167 L177 L189	A110-L122 HydrophobicContact CB-CD1 4.47Å; V111-L122 CarbonylContact O-C 3.58Å; V111-L122 WeakPolarHBondContact O-CA 3.36Å; L122-K157 CarbonylContact O-C 3.52Å; L122-K157 WeakPolarHBondContact O-CA 3.42Å; L122-C158 PolarHBondContact N-O 3.5Å; L122-C158 PolarHBondContact O-N 3.25Å; L122-I167 HydrophobicContact CD1-CD1 3.47Å; L122-I167 VanDerWaalsContact CD1-CD1 3.47Å; L122-I167 HydrophobicContact CD1-CG1 4.07Å; L122-L177 HydrophobicContact CD2-CD1 3.9Å; L122-L189 HydrophobicContact CD2-CD1 3.55Å
123	F	92.9	Very high	86.1	Confident	15 Å²	15	46.9 Å²	46.9	7%	0.066	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.3	172.6	-64.9	-98.3	0	0	0	110.3	A110 V111 F113 M120 V125 V154 Y156 K157	A110-F123 CarbonylContact C-O 3.04Å; A110-F123 WeakPolarHBondContact CA-O 3.33Å; V111-F123 PolarHBondContact N-O 2.95Å; V111-F123 PolarHBondContact O-N 2.96Å; F113-F123 AromaticContact CD2-CD2 3.54Å; F113-F123 HydrophobicContact CD2-CD2 3.54Å; F113-F123 AromaticContact CD2-CE2 3.6Å; F113-F123 HydrophobicContact CD2-CE2 3.6Å; F113-F123 AromaticContact CE2-CD2 3.51Å; F113-F123 HydrophobicContact CE2-CD2 3.51Å; F113-F123 AromaticContact CE2-CE2 3.78Å; F113-F123 HydrophobicContact CE2-CE2 3.78Å; F113-F123 HydrophobicContact CE2-CG 4.41Å; M120-F123 HydrophobicContact CB-CE2 4.34Å; M120-F123 HydrophobicContact CB-CZ 4.08Å; M120-F123 WeakPolarHBondContact O-CE2 3.26Å; F123-V125 HydrophobicContact CB-CG2 4.28Å; F123-V154 HydrophobicContact CD1-CG1 4.09Å; F123-Y156 WeakPolarHBondContact CA-O 3.14Å; F123-K157 HydrophobicContact CD1-CB 3.98Å; F123-K157 HydrophobicContact CE1-CB 4.09Å; F123-K157 HydrophobicContact CE1-CD 4.48Å
124	I	93.3	Very high	84.1	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116	170.9	-53.2	-179.8	0	0	0	107	V108 L109 V154 Q155 Y156 W169 L177 L191	V108-I124 HydrophobicContact CG1-CG2 3.49Å; V108-I124 VanDerWaalsContact CG1-CG2 3.49Å; L109-I124 CarbonylContact O-C 3.57Å; L109-I124 WeakPolarHBondContact O-CA 3.35Å; I124-V154 CarbonylContact O-C 3.56Å; I124-Q155 PolarHBondContact O-N 2.9Å; I124-Y156 HydrophobicContact CB-CD2 4.21Å; I124-Y156 HydrophobicContact CD1-CD2 4.15Å; I124-Y156 HydrophobicContact CD1-CG 4.29Å; I124-Y156 HydrophobicContact CG2-CD2 4.36Å; I124-Y156 PolarHBondContact N-O 2.92Å; I124-Y156 PolarHBondContact O-N 3.38Å; I124-W169 HydrophobicContact CD1-CH2 4.14Å; I124-W169 HydrophobicContact CG2-CH2 4.21Å; I124-W169 HydrophobicContact CG2-CZ2 4.32Å; I124-L177 HydrophobicContact CD1-CD2 3.43Å; I124-L177 VanDerWaalsContact CD1-CD2 3.43Å; I124-L177 HydrophobicContact CG1-CD2 4.43Å; I124-L191 HydrophobicContact CD1-CD1 3.66Å; I124-L191 HydrophobicContact CD1-CD2 3.34Å; I124-L191 HydrophobicContact CD1-CG 4.13Å
125	V	91.6	Very high	81.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.3	-170.6	-167.2	0	0	0	0	108.7	V108 L109 F123 L127 L145 E152 V154	V108-V125 WeakPolarHBondContact CA-O 3.42Å; L109-V125 PolarHBondContact N-O 3.32Å; L109-V125 PolarHBondContact O-N 2.98Å; F123-V125 HydrophobicContact CB-CG2 4.28Å; V125-L127 HydrophobicContact CB-CD2 4.03Å; V125-L127 HydrophobicContact CG1-CD2 3.57Å; V125-L145 HydrophobicContact CG2-CD2 4.03Å; V125-E152 HydrophobicContact CG1-CB 4.21Å; V125-V154 HydrophobicContact CG2-CG2 4.4Å
126	N	89.1	Confident	79.3	Confident	39 Å²	39	55.4 Å²	55.4	21%	0.209	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108	171.6	-172.1	-39.5	0	0	0	110.2	S107 T128 K153 Q155	S107-N126 CarbonylContact O-C 3.55Å; S107-N126 PolarHBondContact OG-OD1 2.9Å; N126-T128 VanDerWaalsContact C-N 3.28Å; N126-T128 PolarHBondContact O-N 3.04Å; N126-T128 VanDerWaalsContact OD1-CB 3.23Å; N126-T128 WeakPolarHBondContact OD1-CB 3.42Å; N126-T128 PolarHBondContact OD1-N 2.96Å; N126-T128 PolarHBondContact OD1-OG1 3.35Å; N126-K153 PolarHBondContact N-O 2.95Å; N126-Q155 HydrophobicContact CB-CG 3.88Å; N126-Q155 PolarHBondContact ND2-NE2 2.77Å; N126-Q155 VanDerWaalsContact ND2-NE2 3.11Å
127	L	87.7	Confident	77	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.348	C	S	.	.			trans	-87.9	17.6	-175.7	-49.7	-178.4	0	0	0	113.5	I72 L88 W101 S107 L109 V125 R129 C130 L131 E152	I72-L127 HydrophobicContact CD1-CD1 3.87Å; I72-L127 HydrophobicContact CG1-CD1 4.15Å; L88-L127 HydrophobicContact CD1-CD2 4.03Å; L88-L127 HydrophobicContact CD2-CD2 4.31Å; W101-L127 HydrophobicContact CH2-CD1 3.49Å; W101-L127 VanDerWaalsContact CH2-CD1 3.49Å; W101-L127 HydrophobicContact CZ2-CD1 4.36Å; W101-L127 HydrophobicContact CZ3-CD1 3.77Å; S107-L127 WeakPolarHBondContact O-CA 3.33Å; S107-L127 WeakPolarHBondContact O-CB 3.42Å; S107-L127 PolarHBondContact O-N 3.07Å; L109-L127 HydrophobicContact CB-CD1 3.78Å; L109-L127 HydrophobicContact CB-CG 4.22Å; L109-L127 HydrophobicContact CD2-CD1 3.8Å; L109-L127 HydrophobicContact CG-CD1 4.39Å; V125-L127 HydrophobicContact CB-CD2 4.03Å; V125-L127 HydrophobicContact CG1-CD2 3.57Å; L127-R129 PolarHBondContact O-N 3.27Å; L127-R129 VanDerWaalsContact O-N 3.14Å; L127-C130 HydrophobicContact CB-CB 4.4Å; L127-C130 PolarHBondContact O-N 3.37Å; L127-L131 HydrophobicContact CB-CD1 4.14Å; L127-L131 HydrophobicContact CB-CG 4.18Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.29Å; L127-L131 PolarHBondContact O-N 3.15Å; L127-E152 VanDerWaalsContact C-OE1 3.32Å; L127-E152 WeakPolarHBondContact CA-OE1 3.37Å; L127-E152 WeakPolarHBondContact CD2-OE2 3.44Å
128	T	83.6	Confident	74.9	Confident	62 Å²	62	58.7 Å²	58.7	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-56.4	-35.3	-175.8	-62.2	0	0	0	0	111.2	S107 N126 T132	S107-T128 WeakPolarHBondContact CB-OG1 3.35Å; S107-T128 PolarHBondContact OG-OG1 3.33Å; N126-T128 VanDerWaalsContact C-N 3.28Å; N126-T128 PolarHBondContact O-N 3.04Å; N126-T128 VanDerWaalsContact OD1-CB 3.23Å; N126-T128 WeakPolarHBondContact OD1-CB 3.42Å; N126-T128 PolarHBondContact OD1-N 2.96Å; N126-T128 PolarHBondContact OD1-OG1 3.35Å; T128-T132 HydrophobicContact CG2-CG2 4.31Å; T128-T132 WeakPolarHBondContact O-CB 3.19Å; T128-T132 WeakPolarHBondContact O-CG2 3.29Å; T128-T132 PolarHBondContact O-N 3.42Å; T128-T132 VanDerWaalsContact O-N 3.12Å; T128-T132 PolarHBondContact O-OG1 3.17Å
129	R	72.5	Confident	72.9	Confident	159 Å²	159	58.3 Å²	58.3	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-72	-47	178.6	-78.8	-177.6	146.5	-178.4	-5.7	112.2	L127 L131 T132 C133 E152	L127-R129 PolarHBondContact O-N 3.27Å; L127-R129 VanDerWaalsContact O-N 3.14Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-L131 PolarHBondContact O-N 3.47Å; R129-T132 PolarHBondContact O-N 2.85Å; R129-T132 PolarHBondContact O-OG1 2.88Å; R129-C133 WeakPolarHBondContact O-CB 3.18Å; R129-C133 PolarHBondContact O-N 3.48Å; R129-C133 PolarHBondContact O-SG 3.49Å; R129-E152 HydrophobicContact CB-CG 4.45Å
130	C	75	Confident	70.7	Confident	11 Å²	11	67.6 Å²	67.6	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-59.3	-43.3	176.9	-179.9	0	0	0	0	111.2	L127 L143 E152	L127-C130 HydrophobicContact CB-CB 4.4Å; L127-C130 PolarHBondContact O-N 3.37Å; C130-L143 HydrophobicContact CB-CD1 4.07Å; C130-E152 WeakPolarHBondContact CA-OE1 3.27Å; C130-E152 WeakPolarHBondContact CB-OE1 3.39Å; C130-E152 PolarHBondContact N-OE1 2.9Å
131	L	74.4	Confident	68.4	Low	26 Å²	26	75 Å²	75	14%	0.136	41%	0.409	C	S	.	.	H	α-helix	trans	-76.4	-26.2	-177.5	-64.2	173.4	0	0	0	114.3	S60 I72 L85 W101 L127 R129 R134	S60-L131 WeakPolarHBondContact OG-CD2 3.37Å; I72-L131 HydrophobicContact CG2-CD2 4.44Å; L85-L131 HydrophobicContact CD1-CD2 3.89Å; W101-L131 HydrophobicContact CH2-CD1 4.46Å; W101-L131 HydrophobicContact CH2-CD2 4.47Å; W101-L131 HydrophobicContact CZ3-CD1 4.21Å; L127-L131 HydrophobicContact CB-CD1 4.14Å; L127-L131 HydrophobicContact CB-CG 4.18Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.29Å; L127-L131 PolarHBondContact O-N 3.15Å; R129-L131 VanDerWaalsContact C-N 3.32Å; R129-L131 PolarHBondContact O-N 3.47Å; L131-R134 WeakPolarHBondContact O-CG 3.14Å; L131-R134 PolarHBondContact O-NE 2.92Å
132	T	71.5	Confident	65.9	Low	96 Å²	96	77 Å²	77	59%	0.589	43%	0.429	S	S	*	.	H	α-helix	trans	-88	-30.3	178.3	51.3	0	0	0	0	113	T128 R129 R134	T128-T132 HydrophobicContact CG2-CG2 4.31Å; T128-T132 WeakPolarHBondContact O-CB 3.19Å; T128-T132 WeakPolarHBondContact O-CG2 3.29Å; T128-T132 PolarHBondContact O-N 3.42Å; T128-T132 VanDerWaalsContact O-N 3.12Å; T128-T132 PolarHBondContact O-OG1 3.17Å; R129-T132 PolarHBondContact O-N 2.85Å; R129-T132 PolarHBondContact O-OG1 2.88Å; T132-R134 PolarHBondContact O-N 3.25Å
133	C	62.1	Low	63.6	Low	86 Å²	86	79 Å²	79	58%	0.581	44%	0.44	S	S	*	.			trans	-76.7	54.9	176.2	-62.1	0	0	0	0	112.4	R129 S135	R129-C133 WeakPolarHBondContact O-CB 3.18Å; R129-C133 PolarHBondContact O-N 3.48Å; R129-C133 PolarHBondContact O-SG 3.49Å; C133-S135 PolarHBondContact O-N 3.07Å
134	R	54.3	Low	61.1	Low	161 Å²	161	82.8 Å²	82.8	61%	0.608	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.9	178.3	-64.7	-174	177.5	-155.6	-4.5	113.9	L131 T132	L131-R134 WeakPolarHBondContact O-CG 3.14Å; L131-R134 PolarHBondContact O-NE 2.92Å; T132-R134 PolarHBondContact O-N 3.25Å
135	S	43.4	Very low	58.8	Low	113 Å²	113	83.5 Å²	83.5	79%	0.79	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	10.6	-161.8	53.1	0	0	0	0	116.6	C133	C133-S135 PolarHBondContact O-N 3.07Å
136	S	44.9	Very low	56.2	Low	81 Å²	81	85.2 Å²	85.2	57%	0.566	48%	0.475	S	S	*	.			trans	-131.6	71.3	179.7	-63.6	0	0	0	0	112.6	S138 S139	S136-S138 PolarHBondContact O-N 3.16Å; S136-S139 PolarHBondContact O-N 3.19Å
137	A	44.1	Very low	53.6	Low	116 Å²	116	89.4 Å²	89.4	96%	0.959	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-1.8	175.2	0	0	0	0	0	115
138	S	41.9	Very low	50.9	Low	112 Å²	112	93.4 Å²	93.4	78%	0.783	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-6.2	-175.9	52.2	0	0	0	0	115.4	S136 K140	S136-S138 PolarHBondContact O-N 3.16Å; S138-K140 PolarHBondContact O-N 3.15Å
139	S	42.4	Very low	49	Very low	70 Å²	70	100.2 Å²	100.2	49%	0.49	56%	0.559	S	S	.	*			trans	-101.8	86.4	-179.9	-172	0	0	0	0	111.5	S136 R141	S136-S139 PolarHBondContact O-N 3.19Å; S139-R141 PolarHBondContact O-N 3.23Å; S139-R141 WeakPolarHBondContact OG-CG 3.33Å
140	K	41.4	Very low	47.5	Very low	215 Å²	215	98.8 Å²	98.8	94%	0.935	57%	0.568	S	S	*	*			trans	-65.3	42.7	167.1	-69.3	-176.8	175.3	179.6	0	112.9	S138 G142	S138-K140 PolarHBondContact O-N 3.15Å; K140-G142 PolarHBondContact O-N 3.17Å
141	R	42.8	Very low	46.4	Very low	208 Å²	208	99.8 Å²	99.8	79%	0.785	58%	0.576	S	S	*	*			trans	-86.9	102.4	173.1	-73.3	-175.6	-172.7	175.8	3	107.6	S139 L143	S139-R141 PolarHBondContact O-N 3.23Å; S139-R141 WeakPolarHBondContact OG-CG 3.33Å; R141-L143 PolarHBondContact O-N 3.12Å
142	G	41.7	Very low	45.4	Very low	42 Å²	42	99.1 Å²	99.1	43%	0.433	57%	0.572	S	S	.	*			trans	-53	128.7	170.6	0	0	0	0	0	110.1	K140 L144	K140-G142 PolarHBondContact O-N 3.17Å; G142-L144 PolarHBondContact O-N 3.24Å
143	L	45.4	Very low	45.1	Very low	45 Å²	45	102.5 Å²	102.5	24%	0.236	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.1	89.6	177.1	-65.6	165.3	0	0	0	107	D87 L88 L89 C130 R141 L145	D87-L143 CarbonylContact O-C 3.6Å; D87-L143 WeakPolarHBondContact O-CA 3.4Å; D87-L143 WeakPolarHBondContact O-CB 3.48Å; D87-L143 PolarHBondContact O-N 2.91Å; L88-L143 WeakPolarHBondContact CA-O 3.19Å; L88-L143 HydrophobicContact CD2-CB 4.32Å; L89-L143 PolarHBondContact N-O 3Å; C130-L143 HydrophobicContact CB-CD1 4.07Å; R141-L143 PolarHBondContact O-N 3.12Å; L143-L145 PolarHBondContact O-N 2.85Å
144	L	40.4	Very low	45.4	Very low	94 Å²	94	100.9 Å²	100.9	49%	0.492	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60	133.4	174.3	-71.9	159.7	0	0	0	109.5	L89 G142 C146 S151	L89-L144 HydrophobicContact CB-CD2 4.18Å; L89-L144 HydrophobicContact CD1-CD2 4.02Å; G142-L144 PolarHBondContact O-N 3.24Å; L144-C146 HydrophobicContact CB-CB 3.95Å; L144-C146 PolarHBondContact O-N 3.29Å; L144-S151 PolarHBondContact O-OG 3.21Å
145	L	44.2	Very low	46.4	Very low	17 Å²	17	96.8 Å²	96.8	9%	0.089	55%	0.553	C	S	.	*	S	Bend	trans	-69.6	23.1	160.6	-69.6	159.5	0	0	0	111.5	L88 L89 F113 V125 L143 V154	L88-L145 HydrophobicContact CB-CD1 4.06Å; L88-L145 HydrophobicContact CB-CG 4.1Å; L88-L145 HydrophobicContact CD2-CD2 4.33Å; L89-L145 VanDerWaalsContact O-CB 3.23Å; L89-L145 WeakPolarHBondContact O-CB 3.3Å; L89-L145 PolarHBondContact O-N 3.4Å; F113-L145 HydrophobicContact CE2-CD1 4.48Å; F113-L145 HydrophobicContact CZ-CD1 4.34Å; V125-L145 HydrophobicContact CG2-CD2 4.03Å; L143-L145 PolarHBondContact O-N 2.85Å; L145-V154 HydrophobicContact CD2-CG2 3.96Å
146	C	36.6	Very low	48.3	Very low	36 Å²	36	95.2 Å²	95.2	24%	0.243	53%	0.531	C	S	.	.	S	Bend	trans	-81.6	136.1	168.4	-77.3	0	0	0	0	109.5	M91 L144 C148	M91-C146 HydrophobicContact SD-CB 4.43Å; M91-C146 PolarHBondContact SD-SG 3.43Å; L144-C146 HydrophobicContact CB-CB 3.95Å; L144-C146 PolarHBondContact O-N 3.29Å; C146-C148 PolarHBondContact O-N 3.47Å
147	P	35.7	Very low	50.3	Low	127 Å²	127	96.8 Å²	96.8	83%	0.825	53%	0.527	S	S	*	.			trans	-74	72.3	170.3	33	-32.3	0	0	0	109.4
148	C	30.8	Very low	52.4	Low	85 Å²	85	92.3 Å²	92.3	57%	0.574	49%	0.488	S	S	*	.			trans	-104.9	138.2	157.4	-65.4	0	0	0	0	106.8	C146 T150 S151	C146-C148 PolarHBondContact O-N 3.47Å; C148-T150 PolarHBondContact O-N 3.04Å; C148-S151 PolarHBondContact O-N 3.42Å
149	E	42.6	Very low	54.6	Low	205 Å²	205	87.1 Å²	87.1	96%	0.958	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	7.3	-165.3	-64.8	-176.4	146.5	0	0	116.8
150	T	42.4	Very low	56.8	Low	128 Å²	128	87.5 Å²	87.5	79%	0.785	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	3.4	174.3	48.5	0	0	0	0	114.1	C148	C148-T150 PolarHBondContact O-N 3.04Å
151	S	51.1	Low	59	Low	33 Å²	33	78.5 Å²	78.5	23%	0.231	42%	0.424	C	S	.	.	S	Bend	trans	-93.1	160.7	-177.4	-167.2	0	0	0	0	113.9	L144 C148	L144-S151 PolarHBondContact O-OG 3.21Å; C148-S151 PolarHBondContact O-N 3.42Å
152	E	53.6	Low	61.4	Low	12 Å²	12	71.2 Å²	71.2	6%	0.056	40%	0.398	C	S	.	.			trans	-61.7	145.2	175	-61.8	-162.5	120.9	0	0	111.4	V125 L127 R129 C130 V154	V125-E152 HydrophobicContact CG1-CB 4.21Å; L127-E152 VanDerWaalsContact C-OE1 3.32Å; L127-E152 WeakPolarHBondContact CA-OE1 3.37Å; L127-E152 WeakPolarHBondContact CD2-OE2 3.44Å; R129-E152 HydrophobicContact CB-CG 4.45Å; C130-E152 WeakPolarHBondContact CA-OE1 3.27Å; C130-E152 WeakPolarHBondContact CB-OE1 3.39Å; C130-E152 PolarHBondContact N-OE1 2.9Å; E152-V154 PolarHBondContact O-N 3.4Å
153	K	65	Low	63.9	Low	167 Å²	167	69.5 Å²	69.5	73%	0.726	38%	0.38	S	S	*	.			trans	-75.3	99.6	-174.6	-164.4	175.4	-176.8	180	0	108.6	N126 Q155	N126-K153 PolarHBondContact N-O 2.95Å; K153-Q155 PolarHBondContact O-N 3.39Å
154	V	69.2	Low	66.4	Low	51 Å²	51	67.4 Å²	67.4	31%	0.309	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	109.7	158.1	178.1	0	0	0	0	106.3	F123 I124 V125 L145 E152 Y156	F123-V154 HydrophobicContact CD1-CG1 4.09Å; I124-V154 CarbonylContact O-C 3.56Å; V125-V154 HydrophobicContact CG2-CG2 4.4Å; L145-V154 HydrophobicContact CD2-CG2 3.96Å; E152-V154 PolarHBondContact O-N 3.4Å; V154-Y156 WeakPolarHBondContact CG1-O 3.43Å
155	Q	75.8	Confident	69.1	Low	76 Å²	76	63.9 Å²	63.9	36%	0.355	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-39.5	-177.8	-68.4	-175.2	-35.9	0	0	110.4	I124 N126 K153	I124-Q155 PolarHBondContact O-N 2.9Å; N126-Q155 HydrophobicContact CB-CG 3.88Å; N126-Q155 PolarHBondContact ND2-NE2 2.77Å; N126-Q155 VanDerWaalsContact ND2-NE2 3.11Å; K153-Q155 PolarHBondContact O-N 3.39Å
156	Y	81.8	Confident	71.6	Confident	80 Å²	80	63.6 Å²	63.6	31%	0.314	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	147.9	-177.8	-58.8	-90.3	0	0	0	111.5	F123 I124 V154 L191	F123-Y156 WeakPolarHBondContact CA-O 3.14Å; I124-Y156 HydrophobicContact CB-CD2 4.21Å; I124-Y156 HydrophobicContact CD1-CD2 4.15Å; I124-Y156 HydrophobicContact CD1-CG 4.29Å; I124-Y156 HydrophobicContact CG2-CD2 4.36Å; I124-Y156 PolarHBondContact N-O 2.92Å; I124-Y156 PolarHBondContact O-N 3.38Å; V154-Y156 WeakPolarHBondContact CG1-O 3.43Å; Y156-L191 HydrophobicContact CD1-CD2 4.31Å; Y156-L191 HydrophobicContact CD2-CD1 4.24Å; Y156-L191 HydrophobicContact CD2-CD2 4.14Å; Y156-L191 HydrophobicContact CE1-CB 4.32Å; Y156-L191 WeakPolarHBondContact CE1-O 3.37Å; Y156-L191 HydrophobicContact CE2-CB 4.08Å; Y156-L191 HydrophobicContact CE2-CD1 4.15Å; Y156-L191 HydrophobicContact CE2-CD2 4.42Å; Y156-L191 HydrophobicContact CE2-CG 4.45Å; Y156-L191 HydrophobicContact CG-CD2 4.1Å; Y156-L191 PolarHBondContact OH-O 2.83Å; Y156-L191 VanDerWaalsContact OH-O 3.05Å
157	K	87.3	Confident	74.4	Confident	113 Å²	113	62.7 Å²	62.7	49%	0.491	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.8	169.1	62.8	-179.5	-178.6	176.5	0	111	M120 L122 F123 F195	M120-K157 HydrophobicContact CB-CB 4.17Å; M120-K157 HydrophobicContact CG-CB 4.11Å; M120-K157 HydrophobicContact CG-CD 4.13Å; M120-K157 HydrophobicContact CG-CG 4.11Å; L122-K157 CarbonylContact O-C 3.52Å; L122-K157 WeakPolarHBondContact O-CA 3.42Å; F123-K157 HydrophobicContact CD1-CB 3.98Å; F123-K157 HydrophobicContact CE1-CB 4.09Å; F123-K157 HydrophobicContact CE1-CD 4.48Å; K157-F195 WeakPolarHBondContact O-CD1 3.4Å; K157-F195 WeakPolarHBondContact O-CE1 3.35Å
158	C	89.1	Confident	77.3	Confident	22 Å²	22	57.5 Å²	57.5	15%	0.149	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	164.6	-177.7	-170.2	0	0	0	0	111.5	S121 L122	S121-C158 PolarHBondContact N-O 3.29Å; L122-C158 PolarHBondContact N-O 3.5Å; L122-C158 PolarHBondContact O-N 3.25Å
159	G	86.8	Confident	80.4	Confident	4 Å²	4	54.2 Å²	54.2	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.4	60.6	178.8	0	0	0	0	0	113.4	M120 S121 G161 E162 R179	M120-G159 CarbonylContact C-O 3.58Å; M120-G159 WeakPolarHBondContact CA-O 3.48Å; S121-G159 PolarHBondContact N-O 3.43Å; S121-G159 PolarHBondContact OG-O 3.28Å; G159-G161 PolarHBondContact O-N 2.57Å; G159-E162 VanDerWaalsContact CA-OE2 3.32Å; G159-E162 WeakPolarHBondContact CA-OE2 3.36Å; G159-E162 PolarHBondContact O-N 3.02Å; G159-R179 VanDerWaalsContact CA-NH1 3.25Å
160	S	88.5	Confident	82.9	Confident	78 Å²	78	46.6 Å²	46.6	55%	0.545	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	119.5	177.6	-171.1	0	0	0	0	110	M120 E162	M120-S160 VanDerWaalsContact SD-CA 3.59Å; M120-S160 PolarHBondContact SD-N 3.08Å; M120-S160 VanDerWaalsContact SD-N 3.39Å; S160-E162 PolarHBondContact O-N 3.15Å
161	G	88.1	Confident	85.1	Confident	25 Å²	25	44.4 Å²	44.4	26%	0.258	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	23.4	-178.8	0	0	0	0	0	113.8	H116 D119 G159	H116-G161 WeakPolarHBondContact O-CA 3.17Å; D119-G161 PolarHBondContact O-N 3.31Å; G159-G161 PolarHBondContact O-N 2.57Å
162	E	92.8	Very high	87.1	Confident	55 Å²	55	46.8 Å²	46.8	26%	0.257	24%	0.243	S	C	.	.			trans	-117.3	156.7	175.8	-66.7	179.8	156.5	0	0	109.5	S121 G159 S160 R179 S182	S121-E162 WeakPolarHBondContact CB-O 3.35Å; S121-E162 PolarHBondContact OG-O 3.21Å; G159-E162 VanDerWaalsContact CA-OE2 3.32Å; G159-E162 WeakPolarHBondContact CA-OE2 3.36Å; G159-E162 PolarHBondContact O-N 3.02Å; S160-E162 PolarHBondContact O-N 3.15Å; E162-R179 IonicContact OE2-CZ 3.66Å; E162-R179 IonicContact OE2-NH1 3.59Å; E162-R179 IonicContact OE2-NH2 2.8Å; E162-R179 PolarHBondContact OE2-NH2 3.21Å; E162-S182 WeakPolarHBondContact CA-OG 3.47Å; E162-S182 VanDerWaalsContact CB-OG 3.27Å; E162-S182 WeakPolarHBondContact CB-OG 3.42Å
163	S	95.5	Very high	89	Confident	7 Å²	7	48 Å²	48	5%	0.049	25%	0.249	C	C	.	.			trans	-89.6	151.5	162.5	75.9	0	0	0	0	110.2	D165 A181 S182	S163-D165 PolarHBondContact OG-OD1 3.38Å; S163-A181 WeakPolarHBondContact O-CA 3.35Å; S163-S182 PolarHBondContact N-OG 2.93Å; S163-S182 PolarHBondContact O-N 2.86Å; S163-S182 VanDerWaalsContact OG-CA 3.25Å; S163-S182 WeakPolarHBondContact OG-CA 3.38Å; S163-S182 PolarHBondContact OG-N 3Å
164	T	97	Very high	90.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.7	163.9	-66.1	0	0	0	0	108	N97 F113 S121 I167 R179 G180	N97-T164 WeakPolarHBondContact CB-O 3.38Å; N97-T164 PolarHBondContact ND2-O 3.26Å; N97-T164 VanDerWaalsContact ND2-O 3.14Å; F113-T164 PolarHBondContact O-N 3.27Å; S121-T164 WeakPolarHBondContact CB-OG1 3.49Å; S121-T164 PolarHBondContact OG-OG1 2.89Å; S121-T164 VanDerWaalsContact OG-OG1 3.06Å; T164-I167 HydrophobicContact CG2-CD1 3.68Å; T164-I167 HydrophobicContact CG2-CG1 3.4Å; T164-R179 HydrophobicContact CG2-CB 4.22Å; T164-G180 CarbonylContact C-O 3.58Å; T164-G180 WeakPolarHBondContact CA-O 3.1Å
165	D	96.4	Very high	91.4	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-37.7	-172	-57.7	-50.2	0	0	0	112.9	S163 G180 K183 T206	S163-D165 PolarHBondContact OG-OD1 3.38Å; D165-G180 PolarHBondContact N-O 2.91Å; D165-K183 WeakPolarHBondContact OD2-CG 3.24Å; D165-K183 PolarHBondContact OD2-N 3.42Å; D165-T206 VanDerWaalsContact OD2-CB 3.25Å; D165-T206 WeakPolarHBondContact OD2-CB 3.41Å; D165-T206 PolarHBondContact OD2-OG1 3.34Å
166	S	96.7	Very high	92.4	Very high	11 Å²	11	38 Å²	38	8%	0.077	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.7	174.1	67	0	0	0	0	111	R179 G180 T206 L209	S166-R179 WeakPolarHBondContact O-CA 3.32Å; S166-G180 PolarHBondContact O-N 2.73Å; S166-T206 PolarHBondContact OG-O 3.24Å; S166-L209 WeakPolarHBondContact OG-CB 3.3Å; S166-L209 WeakPolarHBondContact OG-CD1 3.49Å; S166-L209 VanDerWaalsContact OG-CG 3.23Å; S166-L209 WeakPolarHBondContact OG-CG 3.45Å; S166-L209 PolarHBondContact OG-N 3.45Å; S166-L209 VanDerWaalsContact OG-N 3.14Å
167	I	96.9	Very high	93	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.087	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.5	-176	-58.3	163.9	0	0	0	108.9	A100 A110 L122 T164 L177 L178	A100-I167 HydrophobicContact CB-CB 4.41Å; A100-I167 HydrophobicContact CB-CG2 4Å; A110-I167 HydrophobicContact CB-CG2 3.92Å; L122-I167 HydrophobicContact CD1-CD1 3.47Å; L122-I167 VanDerWaalsContact CD1-CD1 3.47Å; L122-I167 HydrophobicContact CD1-CG1 4.07Å; T164-I167 HydrophobicContact CG2-CD1 3.68Å; T164-I167 HydrophobicContact CG2-CG1 3.4Å; I167-L177 HydrophobicContact CG2-CD1 3.99Å; I167-L178 WeakPolarHBondContact CA-O 3.46Å
168	V	96.1	Very high	93.4	Very high	18 Å²	18	28.8 Å²	28.8	11%	0.109	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	137.2	171.7	63.5	0	0	0	0	110.4	L177 L178 L209 I211	V168-L177 WeakPolarHBondContact O-CA 3.45Å; V168-L178 HydrophobicContact CG1-CB 3.82Å; V168-L178 PolarHBondContact N-O 2.84Å; V168-L178 PolarHBondContact O-N 2.84Å; V168-L209 HydrophobicContact CG1-CB 3.84Å; V168-I211 HydrophobicContact CG1-CD1 3.93Å; V168-I211 HydrophobicContact CG1-CG1 3.85Å; V168-I211 HydrophobicContact CG2-CD1 4.31Å; V168-I211 HydrophobicContact CG2-CG1 4.24Å
169	W	96.2	Very high	93.8	Very high	16 Å²	16	28 Å²	28	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.5	172.9	-69	96.4	0	0	0	110.7	A100 N102 V108 A110 I124 A174 L177 L191	A100-W169 PolarHBondContact O-NE1 3.17Å; N102-W169 HydrophobicContact CB-CD2 4.35Å; N102-W169 HydrophobicContact CB-CZ2 4.19Å; N102-W169 WeakPolarHBondContact ND2-CZ3 3.2Å; V108-W169 HydrophobicContact CG1-CH2 4.21Å; V108-W169 HydrophobicContact CG1-CZ2 4.09Å; A110-W169 HydrophobicContact CB-CZ2 3.82Å; I124-W169 HydrophobicContact CD1-CH2 4.14Å; I124-W169 HydrophobicContact CG2-CH2 4.21Å; I124-W169 HydrophobicContact CG2-CZ2 4.32Å; W169-A174 WeakPolarHBondContact CZ3-O 3.42Å; W169-L177 HydrophobicContact CD2-CB 3.92Å; W169-L177 HydrophobicContact CE3-CB 3.64Å; W169-L177 HydrophobicContact CE3-CD2 4.3Å; W169-L177 HydrophobicContact CG-CB 4.49Å; W169-L177 HydrophobicContact CH2-CD2 3.78Å; W169-L177 HydrophobicContact CZ2-CD2 4.26Å; W169-L177 HydrophobicContact CZ3-CB 3.99Å; W169-L177 HydrophobicContact CZ3-CD2 3.78Å; W169-L191 HydrophobicContact CH2-CD1 3.63Å; W169-L191 HydrophobicContact CZ3-CD1 3.69Å
170	Q	94	Very high	94.2	Very high	44 Å²	44	27.8 Å²	27.8	21%	0.206	16%	0.161	C	C	.	.			trans	-65	138.5	168	-171.3	171.4	-20.2	0	0	109.5	S172 V176 I211 D216	Q170-S172 PolarHBondContact NE2-OG 3.39Å; Q170-V176 HydrophobicContact CB-CB 4Å; Q170-V176 HydrophobicContact CB-CG1 4.18Å; Q170-V176 WeakPolarHBondContact CB-O 3.46Å; Q170-V176 PolarHBondContact N-O 3.37Å; Q170-I211 HydrophobicContact CB-CD1 4.49Å; Q170-D216 HydrophobicContact CG-CB 3.69Å; Q170-D216 VanDerWaalsContact CG-CG 3.5Å; Q170-D216 VanDerWaalsContact CG-OD1 3.24Å; Q170-D216 WeakPolarHBondContact CG-OD1 3.36Å; Q170-D216 VanDerWaalsContact NE2-CB 3.28Å
171	R	90.3	Very high	94.6	Very high	83 Å²	83	24 Å²	24	31%	0.313	14%	0.135	S	C	.	.	S	Bend	trans	-77.7	-36.3	-173.7	-72.4	170.6	172.2	69.4	-12.1	111.6	D210 I211 Y213 D216	R171-D210 IonicContact CZ-OD1 3.5Å; R171-D210 IonicContact NH1-OD1 3.87Å; R171-D210 PolarHBondContact NH1-OD1 3.46Å; R171-D210 IonicContact NH2-OD1 2.76Å; R171-D210 PolarHBondContact NH2-OD1 2.92Å; R171-I211 PolarHBondContact NH1-O 3.09Å; R171-I211 PolarHBondContact NH2-O 3.3Å; R171-Y213 VanDerWaalsContact NH2-CE2 3.27Å; R171-Y213 PolarHBondContact NH2-OH 3.15Å; R171-D216 PolarHBondContact N-OD1 2.95Å; R171-D216 VanDerWaalsContact N-OD1 3.14Å
172	S	91.5	Very high	94.9	Very high	83 Å²	83	24.5 Å²	24.5	58%	0.58	13%	0.134	S	C	*	.	S	Bend	trans	-82.8	-20	178.3	61	0	0	0	0	115.5	Q170 D216	Q170-S172 PolarHBondContact NE2-OG 3.39Å; S172-D216 WeakPolarHBondContact CB-OD2 3.49Å; S172-D216 PolarHBondContact N-OD1 3.17Å; S172-D216 PolarHBondContact OG-OD2 3.5Å
173	N	93.7	Very high	94.9	Very high	37 Å²	37	27.6 Å²	27.6	20%	0.198	15%	0.147	C	C	.	.			trans	-135.8	109	-174.2	-172.2	-9.5	0	0	0	110.8	D175 V176 R192	N173-D175 PolarHBondContact O-N 2.87Å; N173-D175 PolarHBondContact OD1-N 3.44Å; N173-D175 VanDerWaalsContact OD1-N 3.07Å; N173-V176 HydrophobicContact CB-CB 4.4Å; N173-V176 HydrophobicContact CB-CG2 4.23Å; N173-V176 WeakPolarHBondContact ND2-CG2 3.33Å; N173-V176 PolarHBondContact O-N 3.01Å; N173-R192 PolarHBondContact ND2-NH2 2.89Å
174	A	92.8	Very high	94.9	Very high	22 Å²	22	30.8 Å²	30.8	18%	0.182	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.3	-177.2	0	0	0	0	0	114	N102 A104 W169	N102-A174 PolarHBondContact ND2-O 3.01Å; A104-A174 HydrophobicContact CB-CB 3.6Å; W169-A174 WeakPolarHBondContact CZ3-O 3.42Å
175	D	93.3	Very high	94.8	Very high	55 Å²	55	31.3 Å²	31.3	29%	0.294	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.4	178.7	-63.8	-41.8	0	0	0	112.9	N173 L191 R192	N173-D175 PolarHBondContact O-N 2.87Å; N173-D175 PolarHBondContact OD1-N 3.44Å; N173-D175 VanDerWaalsContact OD1-N 3.07Å; D175-L191 WeakPolarHBondContact O-CB 3.26Å; D175-L191 VanDerWaalsContact O-CG 3.31Å; D175-L191 WeakPolarHBondContact O-CG 3.44Å; D175-L191 PolarHBondContact O-N 3.09Å; D175-R192 HydrophobicContact CB-CG 3.93Å; D175-R192 WeakPolarHBondContact OD2-CD 3.17Å
176	V	94.9	Very high	94.7	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.036	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.7	-178.2	-178.7	0	0	0	0	110.6	Q170 N173 V188 L189 D190	Q170-V176 HydrophobicContact CB-CB 4Å; Q170-V176 HydrophobicContact CB-CG1 4.18Å; Q170-V176 WeakPolarHBondContact CB-O 3.46Å; Q170-V176 PolarHBondContact N-O 3.37Å; N173-V176 HydrophobicContact CB-CB 4.4Å; N173-V176 HydrophobicContact CB-CG2 4.23Å; N173-V176 WeakPolarHBondContact ND2-CG2 3.33Å; N173-V176 PolarHBondContact O-N 3.01Å; V176-V188 HydrophobicContact CG1-CG1 3.65Å; V176-L189 WeakPolarHBondContact CA-O 3.35Å; V176-D190 HydrophobicContact CG2-CB 4.11Å
177	L	95.6	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.1	174.2	76.3	107.8	0	0	0	111.7	L122 I124 I167 V168 W169 L189 L191	L122-L177 HydrophobicContact CD2-CD1 3.9Å; I124-L177 HydrophobicContact CD1-CD2 3.43Å; I124-L177 VanDerWaalsContact CD1-CD2 3.43Å; I124-L177 HydrophobicContact CG1-CD2 4.43Å; I167-L177 HydrophobicContact CG2-CD1 3.99Å; V168-L177 WeakPolarHBondContact O-CA 3.45Å; W169-L177 HydrophobicContact CD2-CB 3.92Å; W169-L177 HydrophobicContact CE3-CB 3.64Å; W169-L177 HydrophobicContact CE3-CD2 4.3Å; W169-L177 HydrophobicContact CG-CB 4.49Å; W169-L177 HydrophobicContact CH2-CD2 3.78Å; W169-L177 HydrophobicContact CZ2-CD2 4.26Å; W169-L177 HydrophobicContact CZ3-CB 3.99Å; W169-L177 HydrophobicContact CZ3-CD2 3.78Å; L177-L189 HydrophobicContact CD1-CD1 4.3Å; L177-L189 HydrophobicContact CG-CB 4.3Å; L177-L189 PolarHBondContact N-O 3.22Å; L177-L189 PolarHBondContact O-N 2.97Å; L177-L191 HydrophobicContact CD2-CD1 4.31Å; L177-L191 HydrophobicContact CD2-CD2 3.94Å; L177-L191 HydrophobicContact CD2-CG 4.31Å
178	L	96.3	Very high	94.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.6	174.9	-84.9	67	0	0	0	109.7	I167 V168 I186 Q187 V188 I211 V219 L232	I167-L178 WeakPolarHBondContact CA-O 3.46Å; V168-L178 HydrophobicContact CG1-CB 3.82Å; V168-L178 PolarHBondContact N-O 2.84Å; V168-L178 PolarHBondContact O-N 2.84Å; L178-I186 HydrophobicContact CD2-CG2 4.42Å; L178-Q187 CarbonylContact C-O 3.46Å; L178-Q187 VanDerWaalsContact CA-O 3.31Å; L178-Q187 WeakPolarHBondContact CA-O 3.33Å; L178-V188 HydrophobicContact CD1-CB 4.34Å; L178-V188 HydrophobicContact CD1-CG1 4.03Å; L178-V188 HydrophobicContact CD1-CG2 3.9Å; L178-V188 HydrophobicContact CD2-CG2 4.36Å; L178-V188 HydrophobicContact CG-CG2 3.86Å; L178-I211 HydrophobicContact CD1-CD1 4.11Å; L178-I211 HydrophobicContact CD2-CD1 4.26Å; L178-I211 HydrophobicContact CD2-CG1 4.43Å; L178-V219 HydrophobicContact CD2-CB 4.47Å; L178-V219 HydrophobicContact CD2-CG1 3.94Å; L178-V219 HydrophobicContact CD2-CG2 3.74Å; L178-L232 HydrophobicContact CD2-CD1 4.07Å
179	R	96	Very high	94.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.1	171.2	70.2	171.9	-173.6	155.1	7.3	111.6	G159 E162 T164 S166 I186 Q187 L189 L209	G159-R179 VanDerWaalsContact CA-NH1 3.25Å; E162-R179 IonicContact OE2-CZ 3.66Å; E162-R179 IonicContact OE2-NH1 3.59Å; E162-R179 IonicContact OE2-NH2 2.8Å; E162-R179 PolarHBondContact OE2-NH2 3.21Å; T164-R179 HydrophobicContact CG2-CB 4.22Å; S166-R179 WeakPolarHBondContact O-CA 3.32Å; R179-I186 CarbonylContact O-C 3.42Å; R179-I186 WeakPolarHBondContact O-CA 3.25Å; R179-Q187 HydrophobicContact CG-CB 3.87Å; R179-Q187 PolarHBondContact N-O 2.92Å; R179-Q187 PolarHBondContact O-N 2.87Å; R179-L189 HydrophobicContact CG-CD1 4.25Å; R179-L209 VanDerWaalsContact C-CD1 3.41Å
180	G	96.9	Very high	94.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.4	164.2	0	0	0	0	0	108.3	T164 D165 S166	T164-G180 CarbonylContact C-O 3.58Å; T164-G180 WeakPolarHBondContact CA-O 3.1Å; D165-G180 PolarHBondContact N-O 2.91Å; S166-G180 PolarHBondContact O-N 2.73Å
181	A	95.7	Very high	94.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.2	-175.5	0	0	0	0	0	111	S163 K183 T184 C185	S163-A181 WeakPolarHBondContact O-CA 3.35Å; A181-K183 PolarHBondContact O-N 2.97Å; A181-T184 PolarHBondContact O-N 3.29Å; A181-T184 PolarHBondContact O-OG1 2.98Å; A181-T184 VanDerWaalsContact O-OG1 3.05Å; A181-C185 PolarHBondContact N-O 3.3Å; A181-C185 PolarHBondContact O-N 2.91Å
182	S	94.4	Very high	94.1	Very high	34 Å²	34	31.8 Å²	31.8	24%	0.238	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	26.6	170	-60.8	0	0	0	0	117	E162 S163 T184	E162-S182 WeakPolarHBondContact CA-OG 3.47Å; E162-S182 VanDerWaalsContact CB-OG 3.27Å; E162-S182 WeakPolarHBondContact CB-OG 3.42Å; S163-S182 PolarHBondContact N-OG 2.93Å; S163-S182 PolarHBondContact O-N 2.86Å; S163-S182 VanDerWaalsContact OG-CA 3.25Å; S163-S182 WeakPolarHBondContact OG-CA 3.38Å; S163-S182 PolarHBondContact OG-N 3Å; S182-T184 WeakPolarHBondContact O-CG2 3.4Å; S182-T184 PolarHBondContact O-N 3.48Å; S182-T184 VanDerWaalsContact O-N 3.09Å
183	K	93.9	Very high	93.8	Very high	120 Å²	120	31.1 Å²	31.1	52%	0.522	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	30.3	-170	-54.1	179	-178.2	174.6	0	113.2	D165 A181 K204 T206	D165-K183 WeakPolarHBondContact OD2-CG 3.24Å; D165-K183 PolarHBondContact OD2-N 3.42Å; A181-K183 PolarHBondContact O-N 2.97Å; K183-K204 WeakPolarHBondContact O-CA 3.45Å; K183-T206 WeakPolarHBondContact CA-OG1 3.46Å
184	T	94.9	Very high	93.1	Very high	74 Å²	74	31 Å²	31	45%	0.454	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-36.2	180	55.4	0	0	0	0	112.5	A181 S182 T202 T203	A181-T184 PolarHBondContact O-N 3.29Å; A181-T184 PolarHBondContact O-OG1 2.98Å; A181-T184 VanDerWaalsContact O-OG1 3.05Å; S182-T184 WeakPolarHBondContact O-CG2 3.4Å; S182-T184 PolarHBondContact O-N 3.48Å; S182-T184 VanDerWaalsContact O-N 3.09Å; T184-T202 CarbonylContact O-C 3.59Å; T184-T202 WeakPolarHBondContact O-CA 3.17Å; T184-T203 CarbonylContact C-O 3.47Å; T184-T203 CarbonylContact O-C 3.6Å; T184-T203 PolarHBondContact O-N 2.99Å; T184-T203 VanDerWaalsContact O-O 3.05Å
185	C	94.4	Very high	92.1	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.9	179.5	63.6	0	0	0	0	114.6	A181 Q187 C200 V201 T203 T206	A181-C185 PolarHBondContact N-O 3.3Å; A181-C185 PolarHBondContact O-N 2.91Å; C185-Q187 PolarHBondContact SG-NE2 2.98Å; C185-C200 VanDerWaalsContact SG-SG 3.64Å; C185-V201 CarbonylContact C-O 3.56Å; C185-V201 WeakPolarHBondContact CA-O 2.79Å; C185-V201 VanDerWaalsContact CB-O 3.23Å; C185-V201 WeakPolarHBondContact CB-O 3.45Å; C185-T203 PolarHBondContact N-O 3.39Å; C185-T206 WeakPolarHBondContact O-CG2 3.5Å
186	I	95.2	Very high	91.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.9	165.3	-59.6	162.9	0	0	0	107.4	L178 R179 C200 V201 T203 L209 W230	L178-I186 HydrophobicContact CD2-CG2 4.42Å; R179-I186 CarbonylContact O-C 3.42Å; R179-I186 WeakPolarHBondContact O-CA 3.25Å; I186-C200 CarbonylContact O-C 3.5Å; I186-C200 WeakPolarHBondContact O-CA 3.26Å; I186-V201 HydrophobicContact CB-CB 4.33Å; I186-V201 PolarHBondContact N-O 3.34Å; I186-V201 PolarHBondContact O-N 3.31Å; I186-T203 HydrophobicContact CD1-CG2 3.6Å; I186-T203 HydrophobicContact CG1-CG2 3.67Å; I186-L209 HydrophobicContact CD1-CD2 3.85Å; I186-L209 HydrophobicContact CG1-CD2 4.01Å; I186-L209 HydrophobicContact CG2-CD1 4.14Å; I186-L209 HydrophobicContact CG2-CD2 3.85Å; I186-W230 HydrophobicContact CD1-CD2 4.43Å; I186-W230 HydrophobicContact CD1-CZ2 4.15Å
187	Q	94.6	Very high	91.5	Very high	11 Å²	11	44.9 Å²	44.9	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.2	-177.9	-62.6	-179.3	8.5	0	0	110.5	L178 R179 C185 L189 P197 I199	L178-Q187 CarbonylContact C-O 3.46Å; L178-Q187 VanDerWaalsContact CA-O 3.31Å; L178-Q187 WeakPolarHBondContact CA-O 3.33Å; R179-Q187 HydrophobicContact CG-CB 3.87Å; R179-Q187 PolarHBondContact N-O 2.92Å; R179-Q187 PolarHBondContact O-N 2.87Å; C185-Q187 PolarHBondContact SG-NE2 2.98Å; Q187-L189 HydrophobicContact CB-CD2 4.25Å; Q187-P197 HydrophobicContact CB-CB 4.05Å; Q187-P197 HydrophobicContact CB-CG 4.18Å; Q187-P197 HydrophobicContact CG-CB 4.23Å; Q187-P197 HydrophobicContact CG-CG 4.08Å; Q187-P197 VanDerWaalsContact OE1-CG 3.3Å; Q187-I199 CarbonylContact C-O 3.51Å; Q187-I199 WeakPolarHBondContact CA-O 3.49Å
188	V	94.9	Very high	91.3	Very high	10 Å²	10	49.6 Å²	49.6	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.8	169.9	-178	0	0	0	0	107.9	V176 L178 P197 Q198 I199 L232	V176-V188 HydrophobicContact CG1-CG1 3.65Å; L178-V188 HydrophobicContact CD1-CB 4.34Å; L178-V188 HydrophobicContact CD1-CG1 4.03Å; L178-V188 HydrophobicContact CD1-CG2 3.9Å; L178-V188 HydrophobicContact CD2-CG2 4.36Å; L178-V188 HydrophobicContact CG-CG2 3.86Å; V188-P197 CarbonylContact O-C 3.56Å; V188-P197 WeakPolarHBondContact O-CA 3.5Å; V188-Q198 PolarHBondContact O-N 3.44Å; V188-I199 HydrophobicContact CB-CB 3.85Å; V188-I199 HydrophobicContact CB-CG1 4.38Å; V188-I199 HydrophobicContact CG2-CB 3.71Å; V188-I199 HydrophobicContact CG2-CD1 4.22Å; V188-I199 HydrophobicContact CG2-CG1 4.37Å; V188-I199 HydrophobicContact CG2-CG2 4.3Å; V188-I199 PolarHBondContact N-O 3.47Å; V188-L232 HydrophobicContact CG2-CD1 4Å; V188-L232 HydrophobicContact CG2-CD2 4.22Å
189	L	94.5	Very high	91.1	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.2	-179.3	-51.8	-179.1	0	0	0	109	L122 V176 L177 R179 Q187 P197	L122-L189 HydrophobicContact CD2-CD1 3.55Å; V176-L189 WeakPolarHBondContact CA-O 3.35Å; L177-L189 HydrophobicContact CD1-CD1 4.3Å; L177-L189 HydrophobicContact CG-CB 4.3Å; L177-L189 PolarHBondContact N-O 3.22Å; L177-L189 PolarHBondContact O-N 2.97Å; R179-L189 HydrophobicContact CG-CD1 4.25Å; Q187-L189 HydrophobicContact CB-CD2 4.25Å; L189-P197 HydrophobicContact CD2-CB 3.99Å; L189-P197 HydrophobicContact CD2-CG 3.83Å
190	D	92.7	Very high	90.9	Very high	19 Å²	19	54.6 Å²	54.6	10%	0.102	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.7	168.7	-171.2	-33.3	0	0	0	108.2	V176 R192 C193 Q198	V176-D190 HydrophobicContact CG2-CB 4.11Å; D190-R192 PolarHBondContact O-N 3.11Å; D190-R192 VanDerWaalsContact O-N 3.13Å; D190-R192 VanDerWaalsContact OD1-CB 3.26Å; D190-R192 WeakPolarHBondContact OD1-CB 3.47Å; D190-R192 WeakPolarHBondContact OD1-CG 3.31Å; D190-R192 IonicContact OD1-CZ 3.82Å; D190-R192 PolarHBondContact OD1-N 3.14Å; D190-R192 IonicContact OD1-NE 2.67Å; D190-R192 PolarHBondContact OD1-NE 2.85Å; D190-R192 IonicContact OD1-NH2 3.07Å; D190-R192 IonicContact OD2-CZ 2.83Å; D190-R192 IonicContact OD2-NE 3.02Å; D190-R192 PolarHBondContact OD2-NE 3.44Å; D190-R192 IonicContact OD2-NH2 3.67Å; D190-R192 PolarHBondContact OD2-NH2 3.13Å; D190-C193 HydrophobicContact CB-CB 4.27Å; D190-C193 PolarHBondContact O-N 2.92Å; D190-Q198 HydrophobicContact CB-CG 3.87Å
191	L	90.5	Very high	90.7	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.089	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.9	-174.1	-59.8	-178.4	0	0	0	113.3	I124 Y156 W169 D175 L177 C193	I124-L191 HydrophobicContact CD1-CD1 3.66Å; I124-L191 HydrophobicContact CD1-CD2 3.34Å; I124-L191 HydrophobicContact CD1-CG 4.13Å; Y156-L191 HydrophobicContact CD1-CD2 4.31Å; Y156-L191 HydrophobicContact CD2-CD1 4.24Å; Y156-L191 HydrophobicContact CD2-CD2 4.14Å; Y156-L191 HydrophobicContact CE1-CB 4.32Å; Y156-L191 WeakPolarHBondContact CE1-O 3.37Å; Y156-L191 HydrophobicContact CE2-CB 4.08Å; Y156-L191 HydrophobicContact CE2-CD1 4.15Å; Y156-L191 HydrophobicContact CE2-CD2 4.42Å; Y156-L191 HydrophobicContact CE2-CG 4.45Å; Y156-L191 HydrophobicContact CG-CD2 4.1Å; Y156-L191 PolarHBondContact OH-O 2.83Å; Y156-L191 VanDerWaalsContact OH-O 3.05Å; W169-L191 HydrophobicContact CH2-CD1 3.63Å; W169-L191 HydrophobicContact CZ3-CD1 3.69Å; D175-L191 WeakPolarHBondContact O-CB 3.26Å; D175-L191 VanDerWaalsContact O-CG 3.31Å; D175-L191 WeakPolarHBondContact O-CG 3.44Å; D175-L191 PolarHBondContact O-N 3.09Å; L177-L191 HydrophobicContact CD2-CD1 4.31Å; L177-L191 HydrophobicContact CD2-CD2 3.94Å; L177-L191 HydrophobicContact CD2-CG 4.31Å; L191-C193 VanDerWaalsContact C-N 3.34Å
192	R	89.3	Confident	90.7	Very high	153 Å²	153	60.9 Å²	60.9	58%	0.577	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.4	174.3	-54.7	169.8	-65.2	-179.3	5	112	N173 D175 D190	N173-R192 PolarHBondContact ND2-NH2 2.89Å; D175-R192 HydrophobicContact CB-CG 3.93Å; D175-R192 WeakPolarHBondContact OD2-CD 3.17Å; D190-R192 PolarHBondContact O-N 3.11Å; D190-R192 VanDerWaalsContact O-N 3.13Å; D190-R192 VanDerWaalsContact OD1-CB 3.26Å; D190-R192 WeakPolarHBondContact OD1-CB 3.47Å; D190-R192 WeakPolarHBondContact OD1-CG 3.31Å; D190-R192 IonicContact OD1-CZ 3.82Å; D190-R192 PolarHBondContact OD1-N 3.14Å; D190-R192 IonicContact OD1-NE 2.67Å; D190-R192 PolarHBondContact OD1-NE 2.85Å; D190-R192 IonicContact OD1-NH2 3.07Å; D190-R192 IonicContact OD2-CZ 2.83Å; D190-R192 IonicContact OD2-NE 3.02Å; D190-R192 PolarHBondContact OD2-NE 3.44Å; D190-R192 IonicContact OD2-NH2 3.67Å; D190-R192 PolarHBondContact OD2-NH2 3.13Å
193	C	86	Confident	90.6	Very high	70 Å²	70	59.7 Å²	59.7	47%	0.473	30%	0.304	S	S	.	.	S	Bend	trans	-101.8	8	-175.2	-61.3	0	0	0	0	114	D190 L191	D190-C193 HydrophobicContact CB-CB 4.27Å; D190-C193 PolarHBondContact O-N 2.92Å; L191-C193 VanDerWaalsContact C-N 3.34Å
194	G	79.5	Confident	90.7	Very high	33 Å²	33	60.8 Å²	60.8	34%	0.34	31%	0.309	S	S	.	.			trans	82.4	-155.3	177.9	0	0	0	0	0	114.5	R196	G194-R196 VanDerWaalsContact C-N 3.33Å; G194-R196 PolarHBondContact O-N 3.4Å
195	F	71	Confident	90.7	Very high	139 Å²	139	57.2 Å²	57.2	61%	0.61	29%	0.287	S	S	*	.	S	Bend	trans	-79.1	-4.9	-170.1	-56.4	-75.4	0	0	0	115.4	K157	K157-F195 WeakPolarHBondContact O-CD1 3.4Å; K157-F195 WeakPolarHBondContact O-CE1 3.35Å
196	R	85.2	Confident	90.8	Very high	198 Å²	198	56.7 Å²	56.7	75%	0.747	28%	0.284	S	S	*	.	S	Bend	trans	-86.8	126.5	-174.6	-175.4	179.2	174.1	-179.4	-0.4	111.1	G194 Q198	G194-R196 VanDerWaalsContact C-N 3.33Å; G194-R196 PolarHBondContact O-N 3.4Å; R196-Q198 PolarHBondContact O-N 3.23Å; R196-Q198 PolarHBondContact O-NE2 3.34Å; R196-Q198 VanDerWaalsContact O-NE2 3.16Å
197	P	89.9	Confident	90.9	Very high	38 Å²	38	58.2 Å²	58.2	25%	0.247	29%	0.294	C	S	.	.			trans	-58.1	127.1	169.8	-22.6	33.1	0	0	0	111.6	Q187 V188 L189	Q187-P197 HydrophobicContact CB-CB 4.05Å; Q187-P197 HydrophobicContact CB-CG 4.18Å; Q187-P197 HydrophobicContact CG-CB 4.23Å; Q187-P197 HydrophobicContact CG-CG 4.08Å; Q187-P197 VanDerWaalsContact OE1-CG 3.3Å; V188-P197 CarbonylContact O-C 3.56Å; V188-P197 WeakPolarHBondContact O-CA 3.5Å; L189-P197 HydrophobicContact CD2-CB 3.99Å; L189-P197 HydrophobicContact CD2-CG 3.83Å
198	Q	90.7	Very high	90.9	Very high	100 Å²	100	58.9 Å²	58.9	47%	0.467	30%	0.304	S	S	.	.	S	Bend	trans	-74.5	-35.5	175.6	-61.6	-53.5	-55.1	0	0	111	V188 D190 R196	V188-Q198 PolarHBondContact O-N 3.44Å; D190-Q198 HydrophobicContact CB-CG 3.87Å; R196-Q198 PolarHBondContact O-N 3.23Å; R196-Q198 PolarHBondContact O-NE2 3.34Å; R196-Q198 VanDerWaalsContact O-NE2 3.16Å
199	I	92.3	Very high	91	Very high	47 Å²	47	59 Å²	59	24%	0.241	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.8	173.7	-57.2	174	0	0	0	107.5	Q187 V188 V201 L232 A235	Q187-I199 CarbonylContact C-O 3.51Å; Q187-I199 WeakPolarHBondContact CA-O 3.49Å; V188-I199 HydrophobicContact CB-CB 3.85Å; V188-I199 HydrophobicContact CB-CG1 4.38Å; V188-I199 HydrophobicContact CG2-CB 3.71Å; V188-I199 HydrophobicContact CG2-CD1 4.22Å; V188-I199 HydrophobicContact CG2-CG1 4.37Å; V188-I199 HydrophobicContact CG2-CG2 4.3Å; V188-I199 PolarHBondContact N-O 3.47Å; I199-V201 HydrophobicContact CG2-CG2 4.04Å; I199-L232 HydrophobicContact CD1-CB 4.15Å; I199-A235 HydrophobicContact CG2-CB 3.4Å
200	C	92.6	Very high	91.1	Very high	62 Å²	62	59.6 Å²	59.6	42%	0.419	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.9	175.1	-172.3	0	0	0	0	108.9	C185 I186	C185-C200 VanDerWaalsContact SG-SG 3.64Å; I186-C200 CarbonylContact O-C 3.5Å; I186-C200 WeakPolarHBondContact O-CA 3.26Å
201	V	93.5	Very high	91.2	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.03	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.2	-178.2	-179.3	0	0	0	0	108.8	C185 I186 I199 T203 W230 A235	C185-V201 CarbonylContact C-O 3.56Å; C185-V201 WeakPolarHBondContact CA-O 2.79Å; C185-V201 VanDerWaalsContact CB-O 3.23Å; C185-V201 WeakPolarHBondContact CB-O 3.45Å; I186-V201 HydrophobicContact CB-CB 4.33Å; I186-V201 PolarHBondContact N-O 3.34Å; I186-V201 PolarHBondContact O-N 3.31Å; I199-V201 HydrophobicContact CG2-CG2 4.04Å; V201-T203 PolarHBondContact O-N 3.44Å; V201-W230 HydrophobicContact CG1-CD2 4.29Å; V201-W230 HydrophobicContact CG1-CE3 3.59Å; V201-W230 HydrophobicContact CG1-CH2 3.97Å; V201-W230 HydrophobicContact CG1-CZ3 3.4Å; V201-W230 VanDerWaalsContact CG1-CZ3 3.4Å; V201-A235 WeakPolarHBondContact CG1-O 3.38Å; V201-A235 HydrophobicContact CG2-CB 3.98Å; V201-A235 WeakPolarHBondContact CG2-O 3.39Å
202	T	93.7	Very high	91.4	Very high	128 Å²	128	57.9 Å²	57.9	79%	0.785	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	115.7	178.4	-52.8	0	0	0	0	111	T184	T184-T202 CarbonylContact O-C 3.59Å; T184-T202 WeakPolarHBondContact O-CA 3.17Å
203	T	93.7	Very high	91.5	Very high	8 Å²	8	55.3 Å²	55.3	5%	0.049	29%	0.289	C	S	.	.			trans	-165.9	146.1	179.4	-176.2	0	0	0	0	111.7	T184 C185 I186 V201 A205 T206 K228 W230	T184-T203 CarbonylContact C-O 3.47Å; T184-T203 CarbonylContact O-C 3.6Å; T184-T203 PolarHBondContact O-N 2.99Å; T184-T203 VanDerWaalsContact O-O 3.05Å; C185-T203 PolarHBondContact N-O 3.39Å; I186-T203 HydrophobicContact CD1-CG2 3.6Å; I186-T203 HydrophobicContact CG1-CG2 3.67Å; V201-T203 PolarHBondContact O-N 3.44Å; T203-A205 VanDerWaalsContact C-N 3.3Å; T203-A205 PolarHBondContact OG1-N 3.21Å; T203-A205 VanDerWaalsContact OG1-N 3.08Å; T203-T206 WeakPolarHBondContact O-CG2 3.44Å; T203-K228 PolarHBondContact OG1-NZ 3.37Å; T203-W230 VanDerWaalsContact CB-CH2 3.47Å; T203-W230 HydrophobicContact CG2-CH2 3.85Å; T203-W230 HydrophobicContact CG2-CZ2 3.61Å; T203-W230 WeakPolarHBondContact OG1-CH2 3.46Å; T203-W230 WeakPolarHBondContact OG1-CZ2 3.34Å
204	K	95.4	Very high	91.7	Very high	143 Å²	143	57.6 Å²	57.6	62%	0.622	29%	0.291	S	S	*	.	S	Bend	trans	-76.7	-17.1	168.2	-61.3	-174.7	176.2	-176.5	0	114	K183 T206	K183-K204 WeakPolarHBondContact O-CA 3.45Å; K204-T206 VanDerWaalsContact C-N 3.27Å; K204-T206 PolarHBondContact O-N 3.47Å
205	A	95.7	Very high	92.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.288	C	S	.	.			trans	-79.7	76	178.3	0	0	0	0	0	110.3	T203 S221 Y222 D223 K228	T203-A205 VanDerWaalsContact C-N 3.3Å; T203-A205 PolarHBondContact OG1-N 3.21Å; T203-A205 VanDerWaalsContact OG1-N 3.08Å; A205-S221 WeakPolarHBondContact O-CB 3.38Å; A205-S221 PolarHBondContact O-OG 3.35Å; A205-Y222 CarbonylContact C-O 3.54Å; A205-Y222 VanDerWaalsContact CA-C 3.46Å; A205-Y222 VanDerWaalsContact CA-O 3.24Å; A205-Y222 WeakPolarHBondContact CA-O 3.25Å; A205-Y222 VanDerWaalsContact CB-C 3.47Å; A205-D223 HydrophobicContact CB-CB 4.07Å; A205-K228 HydrophobicContact CB-CB 4.37Å; A205-K228 HydrophobicContact CB-CD 3.78Å; A205-K228 HydrophobicContact CB-CG 4.09Å
206	T	96.5	Very high	93	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.			trans	-108	-3.2	-177.3	56.2	0	0	0	0	113	D165 S166 K183 C185 T203 K204 Y222	D165-T206 VanDerWaalsContact OD2-CB 3.25Å; D165-T206 WeakPolarHBondContact OD2-CB 3.41Å; D165-T206 PolarHBondContact OD2-OG1 3.34Å; S166-T206 PolarHBondContact OG-O 3.24Å; K183-T206 WeakPolarHBondContact CA-OG1 3.46Å; C185-T206 WeakPolarHBondContact O-CG2 3.5Å; T203-T206 WeakPolarHBondContact O-CG2 3.44Å; K204-T206 VanDerWaalsContact C-N 3.27Å; K204-T206 PolarHBondContact O-N 3.47Å; T206-Y222 PolarHBondContact N-O 2.9Å
207	C	96.3	Very high	93.2	Very high	34 Å²	34	47 Å²	47	23%	0.23	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	152.1	179.9	-61.7	0	0	0	0	111.1	L209 Y222	C207-L209 VanDerWaalsContact C-N 3.32Å; C207-L209 PolarHBondContact O-N 3.09Å; C207-Y222 HydrophobicContact CB-CD2 3.77Å; C207-Y222 HydrophobicContact CB-CE2 3.51Å; C207-Y222 HydrophobicContact CB-CG 4.47Å; C207-Y222 WeakPolarHBondContact CB-O 3.31Å; C207-Y222 PolarHBondContact N-O 3.17Å; C207-Y222 PolarHBondContact O-N 2.7Å
208	G	94.9	Very high	93.3	Very high	24 Å²	24	45.3 Å²	45.3	25%	0.247	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.5	42.8	174.2	0	0	0	0	0	115.1	D210 Y222	G208-D210 PolarHBondContact O-N 3.21Å; G208-Y222 VanDerWaalsContact CA-CE1 3.48Å
209	L	96.7	Very high	93.5	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	126.2	173	-79.3	167.3	0	0	0	110.9	S166 V168 R179 I186 C207 V219 S220	S166-L209 WeakPolarHBondContact OG-CB 3.3Å; S166-L209 WeakPolarHBondContact OG-CD1 3.49Å; S166-L209 VanDerWaalsContact OG-CG 3.23Å; S166-L209 WeakPolarHBondContact OG-CG 3.45Å; S166-L209 PolarHBondContact OG-N 3.45Å; S166-L209 VanDerWaalsContact OG-N 3.14Å; V168-L209 HydrophobicContact CG1-CB 3.84Å; R179-L209 VanDerWaalsContact C-CD1 3.41Å; I186-L209 HydrophobicContact CD1-CD2 3.85Å; I186-L209 HydrophobicContact CG1-CD2 4.01Å; I186-L209 HydrophobicContact CG2-CD1 4.14Å; I186-L209 HydrophobicContact CG2-CD2 3.85Å; C207-L209 VanDerWaalsContact C-N 3.32Å; C207-L209 PolarHBondContact O-N 3.09Å; L209-V219 HydrophobicContact CD2-CG1 3.79Å; L209-S220 WeakPolarHBondContact CA-O 3.44Å
210	D	96	Very high	93.7	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.118	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.5	172	-170.5	20.9	0	0	0	110.3	R171 G208 V219 S220 W253	R171-D210 IonicContact CZ-OD1 3.5Å; R171-D210 IonicContact NH1-OD1 3.87Å; R171-D210 PolarHBondContact NH1-OD1 3.46Å; R171-D210 IonicContact NH2-OD1 2.76Å; R171-D210 PolarHBondContact NH2-OD1 2.92Å; G208-D210 PolarHBondContact O-N 3.21Å; D210-V219 WeakPolarHBondContact O-CA 3.33Å; D210-S220 PolarHBondContact N-O 3.49Å; D210-S220 PolarHBondContact O-N 3.49Å; D210-S220 PolarHBondContact O-OG 3.02Å; D210-W253 PolarHBondContact O-NE1 3.02Å; D210-W253 PolarHBondContact OD2-N 3.4Å
211	I	95.8	Very high	93.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.6	-173.8	-53	175.8	0	0	0	108.8	V168 Q170 R171 L178 D216 V219	V168-I211 HydrophobicContact CG1-CD1 3.93Å; V168-I211 HydrophobicContact CG1-CG1 3.85Å; V168-I211 HydrophobicContact CG2-CD1 4.31Å; V168-I211 HydrophobicContact CG2-CG1 4.24Å; Q170-I211 HydrophobicContact CB-CD1 4.49Å; R171-I211 PolarHBondContact NH1-O 3.09Å; R171-I211 PolarHBondContact NH2-O 3.3Å; L178-I211 HydrophobicContact CD1-CD1 4.11Å; L178-I211 HydrophobicContact CD2-CD1 4.26Å; L178-I211 HydrophobicContact CD2-CG1 4.43Å; I211-D216 HydrophobicContact CG2-CB 4.38Å; I211-V219 HydrophobicContact CG1-CG2 4.19Å
212	D	93.5	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.			trans	-59.1	138.5	175.5	-176.7	76.4	0	0	0	111.2	F214 R215 L218 W253 S258 G259	D212-F214 PolarHBondContact O-N 3.21Å; D212-F214 VanDerWaalsContact O-N 3.15Å; D212-F214 PolarHBondContact OD2-N 3.03Å; D212-F214 VanDerWaalsContact OD2-N 3.09Å; D212-R215 HydrophobicContact CB-CB 4.42Å; D212-R215 PolarHBondContact O-N 2.9Å; D212-R215 PolarHBondContact OD2-N 3.03Å; D212-R215 IonicContact OD2-NE 3.55Å; D212-L218 HydrophobicContact CB-CB 3.88Å; D212-L218 HydrophobicContact CB-CD2 4.03Å; D212-L218 HydrophobicContact CB-CG 4.08Å; D212-L218 PolarHBondContact N-O 2.88Å; D212-W253 HydrophobicContact CB-CD2 4.21Å; D212-W253 HydrophobicContact CB-CE3 4.49Å; D212-W253 HydrophobicContact CB-CG 4.47Å; D212-S258 WeakPolarHBondContact OD1-CA 3.26Å; D212-S258 PolarHBondContact OD2-OG 3.18Å; D212-G259 PolarHBondContact OD1-N 3.05Å
213	Y	91.6	Very high	94.2	Very high	99 Å²	99	33 Å²	33	39%	0.388	16%	0.159	S	C	.	.	S	Bend	trans	-68.7	-14.8	-174.7	-75	-100.6	0	0	0	114.2	R171 W253 P255	R171-Y213 VanDerWaalsContact NH2-CE2 3.27Å; R171-Y213 PolarHBondContact NH2-OH 3.15Å; Y213-W253 HydrophobicContact CD2-CB 3.91Å; Y213-W253 HydrophobicContact CE2-CB 4Å; Y213-W253 WeakPolarHBondContact CE2-O 3.47Å; Y213-P255 HydrophobicContact CD1-CB 3.98Å; Y213-P255 VanDerWaalsContact CD2-CA 3.5Å; Y213-P255 HydrophobicContact CD2-CB 4.16Å; Y213-P255 HydrophobicContact CE1-CB 3.8Å; Y213-P255 HydrophobicContact CE2-CB 3.99Å; Y213-P255 HydrophobicContact CG-CB 4.14Å
214	F	90.7	Very high	94.2	Very high	117 Å²	117	36.7 Å²	36.7	51%	0.513	18%	0.182	S	C	.	.	S	Bend	trans	-117.6	-15	-176	-55.7	-98	0	0	0	112.6	D212 P255 S258	D212-F214 PolarHBondContact O-N 3.21Å; D212-F214 VanDerWaalsContact O-N 3.15Å; D212-F214 PolarHBondContact OD2-N 3.03Å; D212-F214 VanDerWaalsContact OD2-N 3.09Å; F214-P255 WeakPolarHBondContact CE2-O 3.44Å; F214-P255 WeakPolarHBondContact CZ-O 3.5Å; F214-S258 VanDerWaalsContact CD2-N 3.31Å
215	R	88.8	Confident	94.1	Very high	70 Å²	70	33.2 Å²	33.2	26%	0.264	17%	0.17	S	C	.	.			trans	-140.1	100.5	-177.2	-67.4	-175.5	-71	169.4	-6.1	110.4	D212 T217 L218 S258	D212-R215 HydrophobicContact CB-CB 4.42Å; D212-R215 PolarHBondContact O-N 2.9Å; D212-R215 PolarHBondContact OD2-N 3.03Å; D212-R215 IonicContact OD2-NE 3.55Å; R215-T217 PolarHBondContact O-N 2.7Å; R215-L218 HydrophobicContact CB-CB 4.21Å; R215-L218 PolarHBondContact O-N 2.89Å; R215-S258 PolarHBondContact NE-OG 3.23Å
216	D	90.3	Very high	94.2	Very high	33 Å²	33	34.2 Å²	34.2	18%	0.176	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.2	179	-61.3	-70.4	0	0	0	114.5	Q170 R171 S172 I211 L218	Q170-D216 HydrophobicContact CG-CB 3.69Å; Q170-D216 VanDerWaalsContact CG-CG 3.5Å; Q170-D216 VanDerWaalsContact CG-OD1 3.24Å; Q170-D216 WeakPolarHBondContact CG-OD1 3.36Å; Q170-D216 VanDerWaalsContact NE2-CB 3.28Å; R171-D216 PolarHBondContact N-OD1 2.95Å; R171-D216 VanDerWaalsContact N-OD1 3.14Å; S172-D216 WeakPolarHBondContact CB-OD2 3.49Å; S172-D216 PolarHBondContact N-OD1 3.17Å; S172-D216 PolarHBondContact OG-OD2 3.5Å; I211-D216 HydrophobicContact CG2-CB 4.38Å; D216-L218 VanDerWaalsContact C-N 3.32Å
217	T	89.2	Confident	94.1	Very high	45 Å²	45	34.2 Å²	34.2	28%	0.276	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.4	176.9	64.8	0	0	0	0	112.6	R215 D231 L232 R233	R215-T217 PolarHBondContact O-N 2.7Å; T217-D231 CarbonylContact O-C 3.59Å; T217-D231 VanDerWaalsContact O-CA 3.31Å; T217-D231 WeakPolarHBondContact O-CA 3.4Å; T217-L232 PolarHBondContact O-N 3.34Å; T217-R233 HydrophobicContact CG2-CG 3.63Å
218	L	92.2	Very high	94.1	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.9	-178.5	178.9	61.3	0	0	0	110.1	D212 R215 D216 W230 L239 W253	D212-L218 HydrophobicContact CB-CB 3.88Å; D212-L218 HydrophobicContact CB-CD2 4.03Å; D212-L218 HydrophobicContact CB-CG 4.08Å; D212-L218 PolarHBondContact N-O 2.88Å; R215-L218 HydrophobicContact CB-CB 4.21Å; R215-L218 PolarHBondContact O-N 2.89Å; D216-L218 VanDerWaalsContact C-N 3.32Å; L218-W230 WeakPolarHBondContact CA-O 3.29Å; L218-L239 HydrophobicContact CD1-CD1 3.41Å; L218-L239 VanDerWaalsContact CD1-CD1 3.41Å; L218-W253 HydrophobicContact CD1-CH2 4.05Å; L218-W253 HydrophobicContact CD1-CZ2 4.17Å; L218-W253 HydrophobicContact CD2-CH2 3.57Å; L218-W253 HydrophobicContact CD2-CZ2 4.08Å; L218-W253 HydrophobicContact CD2-CZ3 3.95Å; L218-W253 HydrophobicContact CG-CH2 3.67Å; L218-W253 HydrophobicContact CG-CZ2 3.69Å; L218-W253 HydrophobicContact CG-CZ3 4.46Å
219	V	95	Very high	94	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	-174.9	-177.9	0	0	0	0	110	L178 L209 D210 I211 L229 W230 L232	L178-V219 HydrophobicContact CD2-CB 4.47Å; L178-V219 HydrophobicContact CD2-CG1 3.94Å; L178-V219 HydrophobicContact CD2-CG2 3.74Å; L209-V219 HydrophobicContact CD2-CG1 3.79Å; D210-V219 WeakPolarHBondContact O-CA 3.33Å; I211-V219 HydrophobicContact CG1-CG2 4.19Å; V219-L229 CarbonylContact O-C 3.13Å; V219-L229 WeakPolarHBondContact O-CA 3.22Å; V219-W230 HydrophobicContact CB-CB 4.29Å; V219-W230 PolarHBondContact N-O 3.23Å; V219-W230 PolarHBondContact O-N 3.01Å; V219-L232 HydrophobicContact CG2-CD1 3.68Å; V219-L232 HydrophobicContact CG2-CD2 4.15Å; V219-L232 HydrophobicContact CG2-CG 3.79Å
220	S	95.8	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145	168.6	73.8	0	0	0	0	109.9	L209 D210 K228 W253	L209-S220 WeakPolarHBondContact CA-O 3.44Å; D210-S220 PolarHBondContact N-O 3.49Å; D210-S220 PolarHBondContact O-N 3.49Å; D210-S220 PolarHBondContact O-OG 3.02Å; S220-K228 WeakPolarHBondContact CA-O 3.37Å; S220-W253 PolarHBondContact OG-NE1 3.43Å
221	S	96.8	Very high	93.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	165.7	169	74.3	0	0	0	0	109.5	A205 K228 W230	A205-S221 WeakPolarHBondContact O-CB 3.38Å; A205-S221 PolarHBondContact O-OG 3.35Å; S221-K228 PolarHBondContact N-O 3.11Å; S221-K228 PolarHBondContact O-N 2.89Å; S221-K228 VanDerWaalsContact O-O 3.13Å; S221-W230 PolarHBondContact OG-NE1 3.42Å
222	Y	97.1	Very high	93.2	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.161	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158.2	175.6	62.2	-99.5	0	0	0	113.9	A205 T206 C207 G208 V226 I248 S251	A205-Y222 CarbonylContact C-O 3.54Å; A205-Y222 VanDerWaalsContact CA-C 3.46Å; A205-Y222 VanDerWaalsContact CA-O 3.24Å; A205-Y222 WeakPolarHBondContact CA-O 3.25Å; A205-Y222 VanDerWaalsContact CB-C 3.47Å; T206-Y222 PolarHBondContact N-O 2.9Å; C207-Y222 HydrophobicContact CB-CD2 3.77Å; C207-Y222 HydrophobicContact CB-CE2 3.51Å; C207-Y222 HydrophobicContact CB-CG 4.47Å; C207-Y222 WeakPolarHBondContact CB-O 3.31Å; C207-Y222 PolarHBondContact N-O 3.17Å; C207-Y222 PolarHBondContact O-N 2.7Å; G208-Y222 VanDerWaalsContact CA-CE1 3.48Å; Y222-V226 WeakPolarHBondContact CA-O 3.34Å; Y222-V226 VanDerWaalsContact CB-O 3.24Å; Y222-V226 WeakPolarHBondContact CB-O 3.31Å; Y222-I248 VanDerWaalsContact CB-CD1 3.42Å; Y222-I248 HydrophobicContact CD1-CG2 3.87Å; Y222-I248 HydrophobicContact CD2-CB 3.87Å; Y222-I248 HydrophobicContact CD2-CD1 4.1Å; Y222-I248 HydrophobicContact CD2-CG2 3.83Å; Y222-I248 HydrophobicContact CE1-CG2 3.96Å; Y222-I248 HydrophobicContact CE2-CB 4.18Å; Y222-I248 HydrophobicContact CE2-CG2 3.96Å; Y222-I248 HydrophobicContact CG-CB 4.19Å; Y222-I248 HydrophobicContact CG-CD1 3.89Å; Y222-I248 HydrophobicContact CG-CG2 3.8Å; Y222-S251 VanDerWaalsContact CD1-OG 3.28Å; Y222-S251 WeakPolarHBondContact CD1-OG 3.37Å; Y222-S251 WeakPolarHBondContact CE1-OG 3.33Å
223	D	95.4	Very high	92.8	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.23	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-176.4	162.1	-169.3	7.9	0	0	0	107.6	A205 N225 V226 I248	A205-D223 HydrophobicContact CB-CB 4.07Å; D223-N225 VanDerWaalsContact C-N 3.34Å; D223-N225 PolarHBondContact O-N 2.89Å; D223-N225 VanDerWaalsContact O-N 3.13Å; D223-V226 HydrophobicContact CB-CG1 3.81Å; D223-V226 PolarHBondContact N-O 3.26Å; D223-V226 PolarHBondContact O-N 3.06Å; D223-I248 WeakPolarHBondContact O-CD1 3.45Å
224	V	93.7	Very high	92.2	Very high	86 Å²	86	40.9 Å²	40.9	52%	0.521	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42	-57	-174.3	-174.1	0	0	0	0	112.5	P247 I248	V224-P247 HydrophobicContact CG1-CB 3.99Å; V224-P247 HydrophobicContact CG1-CG 3.93Å; V224-P247 CarbonylContact O-C 3.6Å; V224-P247 WeakPolarHBondContact O-CA 3.44Å; V224-I248 PolarHBondContact O-N 2.83Å
225	N	95.4	Very high	91.1	Very high	70 Å²	70	36.4 Å²	36.4	37%	0.374	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	22.7	-172	-71.3	-17.2	0	0	0	113.7	D223 I244 S246 P247	D223-N225 VanDerWaalsContact C-N 3.34Å; D223-N225 PolarHBondContact O-N 2.89Å; D223-N225 VanDerWaalsContact O-N 3.13Å; N225-I244 WeakPolarHBondContact CB-O 3.47Å; N225-I244 PolarHBondContact O-N 3.46Å; N225-S246 PolarHBondContact OD1-O 3.01Å; N225-P247 WeakPolarHBondContact OD1-CA 3.41Å; N225-P247 VanDerWaalsContact OD1-N 3.08Å
226	V	96	Very high	90.2	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	128.8	-178.9	60.3	0	0	0	0	112.4	Y222 D223 K228 A241 I242	Y222-V226 WeakPolarHBondContact CA-O 3.34Å; Y222-V226 VanDerWaalsContact CB-O 3.24Å; Y222-V226 WeakPolarHBondContact CB-O 3.31Å; D223-V226 HydrophobicContact CB-CG1 3.81Å; D223-V226 PolarHBondContact N-O 3.26Å; D223-V226 PolarHBondContact O-N 3.06Å; V226-K228 HydrophobicContact CG2-CG 4.09Å; V226-A241 HydrophobicContact CG2-CB 4.16Å; V226-I242 WeakPolarHBondContact CA-O 3.39Å
227	V	96	Very high	89.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.5	167.6	174.8	0	0	0	0	108.6	A241 I242 I244 I248 L261 Y263	V227-A241 CarbonylContact O-C 3.23Å; V227-A241 WeakPolarHBondContact O-CA 3.48Å; V227-I242 HydrophobicContact CB-CB 4.35Å; V227-I242 PolarHBondContact N-O 3.31Å; V227-I242 PolarHBondContact O-N 3.44Å; V227-I244 HydrophobicContact CB-CD1 4.36Å; V227-I244 HydrophobicContact CG2-CD1 3.56Å; V227-I248 HydrophobicContact CG2-CD1 3.5Å; V227-I248 VanDerWaalsContact CG2-CD1 3.5Å; V227-I248 HydrophobicContact CG2-CG1 4.3Å; V227-L261 HydrophobicContact CG1-CD2 3.68Å; V227-Y263 HydrophobicContact CG2-CD2 4.28Å; V227-Y263 HydrophobicContact CG2-CG 4.1Å
228	K	94.9	Very high	88.8	Confident	30 Å²	30	48 Å²	48	13%	0.13	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.8	176	-64	-172.2	-170.9	172.2	0	110.8	T203 A205 S220 S221 V226 W230 F240 A241	T203-K228 PolarHBondContact OG1-NZ 3.37Å; A205-K228 HydrophobicContact CB-CB 4.37Å; A205-K228 HydrophobicContact CB-CD 3.78Å; A205-K228 HydrophobicContact CB-CG 4.09Å; S220-K228 WeakPolarHBondContact CA-O 3.37Å; S221-K228 PolarHBondContact N-O 3.11Å; S221-K228 PolarHBondContact O-N 2.89Å; S221-K228 VanDerWaalsContact O-O 3.13Å; V226-K228 HydrophobicContact CG2-CG 4.09Å; K228-W230 HydrophobicContact CB-CH2 4.45Å; K228-W230 HydrophobicContact CB-CZ2 3.62Å; K228-W230 HydrophobicContact CD-CH2 3.7Å; K228-W230 HydrophobicContact CD-CZ2 3.42Å; K228-W230 VanDerWaalsContact CD-CZ2 3.42Å; K228-W230 HydrophobicContact CG-CZ2 4.17Å; K228-F240 WeakPolarHBondContact CA-O 3.27Å; K228-A241 HydrophobicContact CG-CB 4.27Å
229	L	94.2	Very high	88.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.1	173.3	-63.9	-177	0	0	0	109.4	V219 L239 F240 W253 L261 A276 L287	V219-L229 CarbonylContact O-C 3.13Å; V219-L229 WeakPolarHBondContact O-CA 3.22Å; L229-L239 HydrophobicContact CB-CB 4.08Å; L229-L239 WeakPolarHBondContact O-CB 3.15Å; L229-L239 PolarHBondContact O-N 3.26Å; L229-F240 HydrophobicContact CB-CB 4.23Å; L229-F240 HydrophobicContact CB-CD2 4.38Å; L229-F240 HydrophobicContact CD1-CB 4.26Å; L229-F240 HydrophobicContact CD1-CD2 3.87Å; L229-F240 HydrophobicContact CD1-CG 4.49Å; L229-F240 HydrophobicContact CG-CB 4.44Å; L229-F240 PolarHBondContact N-O 3.48Å; L229-F240 PolarHBondContact O-N 2.83Å; L229-W253 HydrophobicContact CD1-CH2 4.27Å; L229-W253 HydrophobicContact CD2-CH2 3.5Å; L229-W253 HydrophobicContact CD2-CZ2 3.5Å; L229-W253 HydrophobicContact CG-CH2 4.5Å; L229-L261 HydrophobicContact CD2-CD2 3.92Å; L229-A276 HydrophobicContact CD1-CB 3.63Å; L229-L287 HydrophobicContact CD1-CD1 4.38Å
230	W	92.3	Very high	88.1	Confident	14 Å²	14	50.2 Å²	50.2	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.5	-174.4	-47.9	95.3	0	0	0	110.3	I186 V201 T203 L218 V219 S221 K228 R238	I186-W230 HydrophobicContact CD1-CD2 4.43Å; I186-W230 HydrophobicContact CD1-CZ2 4.15Å; V201-W230 HydrophobicContact CG1-CD2 4.29Å; V201-W230 HydrophobicContact CG1-CE3 3.59Å; V201-W230 HydrophobicContact CG1-CH2 3.97Å; V201-W230 HydrophobicContact CG1-CZ3 3.4Å; V201-W230 VanDerWaalsContact CG1-CZ3 3.4Å; T203-W230 VanDerWaalsContact CB-CH2 3.47Å; T203-W230 HydrophobicContact CG2-CH2 3.85Å; T203-W230 HydrophobicContact CG2-CZ2 3.61Å; T203-W230 WeakPolarHBondContact OG1-CH2 3.46Å; T203-W230 WeakPolarHBondContact OG1-CZ2 3.34Å; L218-W230 WeakPolarHBondContact CA-O 3.29Å; V219-W230 HydrophobicContact CB-CB 4.29Å; V219-W230 PolarHBondContact N-O 3.23Å; V219-W230 PolarHBondContact O-N 3.01Å; S221-W230 PolarHBondContact OG-NE1 3.42Å; K228-W230 HydrophobicContact CB-CH2 4.45Å; K228-W230 HydrophobicContact CB-CZ2 3.62Å; K228-W230 HydrophobicContact CD-CH2 3.7Å; K228-W230 HydrophobicContact CD-CZ2 3.42Å; K228-W230 VanDerWaalsContact CD-CZ2 3.42Å; K228-W230 HydrophobicContact CG-CZ2 4.17Å; W230-R238 HydrophobicContact CE3-CB 3.78Å; W230-R238 HydrophobicContact CH2-CB 4.25Å; W230-R238 HydrophobicContact CZ3-CB 3.59Å
231	D	89.7	Confident	87.9	Confident	7 Å²	7	52 Å²	52	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.7	162.6	-167.1	-31.5	0	0	0	107.8	T217 R233 Q234 L239	T217-D231 CarbonylContact O-C 3.59Å; T217-D231 VanDerWaalsContact O-CA 3.31Å; T217-D231 WeakPolarHBondContact O-CA 3.4Å; D231-R233 PolarHBondContact O-N 3.28Å; D231-R233 VanDerWaalsContact O-N 3.11Å; D231-R233 VanDerWaalsContact OD1-CB 3.28Å; D231-R233 WeakPolarHBondContact OD1-CB 3.42Å; D231-R233 WeakPolarHBondContact OD1-CG 3.42Å; D231-R233 IonicContact OD1-CZ 3.15Å; D231-R233 PolarHBondContact OD1-N 3.27Å; D231-R233 VanDerWaalsContact OD1-N 3.08Å; D231-R233 IonicContact OD1-NE 3.74Å; D231-R233 PolarHBondContact OD1-NE 2.85Å; D231-R233 IonicContact OD1-NH2 3.77Å; D231-R233 IonicContact OD2-CZ 2.61Å; D231-R233 IonicContact OD2-NE 3.66Å; D231-R233 PolarHBondContact OD2-NE 3.21Å; D231-R233 IonicContact OD2-NH2 3.51Å; D231-R233 PolarHBondContact OD2-NH2 2.88Å; D231-Q234 CarbonylContact O-C 3.49Å; D231-Q234 WeakPolarHBondContact O-CA 3.15Å; D231-Q234 PolarHBondContact O-N 2.96Å; D231-L239 HydrophobicContact CB-CD1 3.9Å; D231-L239 HydrophobicContact CB-CD2 3.93Å; D231-L239 HydrophobicContact CB-CG 3.85Å
232	L	89	Confident	87.7	Confident	20 Å²	20	53 Å²	53	11%	0.105	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-63.7	-18	-176.3	-61.3	178.9	0	0	0	113.1	L178 V188 I199 T217 V219 Q234	L178-L232 HydrophobicContact CD2-CD1 4.07Å; V188-L232 HydrophobicContact CG2-CD1 4Å; V188-L232 HydrophobicContact CG2-CD2 4.22Å; I199-L232 HydrophobicContact CD1-CB 4.15Å; T217-L232 PolarHBondContact O-N 3.34Å; V219-L232 HydrophobicContact CG2-CD1 3.68Å; V219-L232 HydrophobicContact CG2-CD2 4.15Å; V219-L232 HydrophobicContact CG2-CG 3.79Å; L232-Q234 PolarHBondContact O-N 3.25Å
233	R	84.2	Confident	87.6	Confident	156 Å²	156	57.6 Å²	57.6	59%	0.589	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-65.7	-26.3	171.4	-58.6	175.2	-67.2	171	3.1	111.8	T217 D231	T217-R233 HydrophobicContact CG2-CG 3.63Å; D231-R233 PolarHBondContact O-N 3.28Å; D231-R233 VanDerWaalsContact O-N 3.11Å; D231-R233 VanDerWaalsContact OD1-CB 3.28Å; D231-R233 WeakPolarHBondContact OD1-CB 3.42Å; D231-R233 WeakPolarHBondContact OD1-CG 3.42Å; D231-R233 IonicContact OD1-CZ 3.15Å; D231-R233 PolarHBondContact OD1-N 3.27Å; D231-R233 VanDerWaalsContact OD1-N 3.08Å; D231-R233 IonicContact OD1-NE 3.74Å; D231-R233 PolarHBondContact OD1-NE 2.85Å; D231-R233 IonicContact OD1-NH2 3.77Å; D231-R233 IonicContact OD2-CZ 2.61Å; D231-R233 IonicContact OD2-NE 3.66Å; D231-R233 PolarHBondContact OD2-NE 3.21Å; D231-R233 IonicContact OD2-NH2 3.51Å; D231-R233 PolarHBondContact OD2-NH2 2.88Å
234	Q	79.2	Confident	87.5	Confident	105 Å²	105	56 Å²	56	49%	0.491	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-123.4	60.7	176.7	-63.5	-175.4	-1.1	0	0	109.2	D231 L232 N236 H237	D231-Q234 CarbonylContact O-C 3.49Å; D231-Q234 WeakPolarHBondContact O-CA 3.15Å; D231-Q234 PolarHBondContact O-N 2.96Å; L232-Q234 PolarHBondContact O-N 3.25Å; Q234-N236 PolarHBondContact O-N 3.49Å; Q234-H237 HydrophobicContact CB-CB 4.3Å; Q234-H237 PolarHBondContact O-N 3.14Å
235	A	67.9	Low	87.5	Confident	22 Å²	22	56.1 Å²	56.1	18%	0.182	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-33.7	-173.6	0	0	0	0	0	115	I199 V201 H237	I199-A235 HydrophobicContact CG2-CB 3.4Å; V201-A235 WeakPolarHBondContact CG1-O 3.38Å; V201-A235 HydrophobicContact CG2-CB 3.98Å; V201-A235 WeakPolarHBondContact CG2-O 3.39Å; A235-H237 VanDerWaalsContact C-N 3.31Å; A235-H237 PolarHBondContact O-N 3.29Å
236	N	70.3	Confident	87.5	Confident	163 Å²	163	54.3 Å²	54.3	87%	0.872	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.5	-180	-66.3	-18.4	0	0	0	114.2	Q234	Q234-N236 PolarHBondContact O-N 3.49Å
237	H	73.3	Confident	87.5	Confident	101 Å²	101	55.4 Å²	55.4	47%	0.468	28%	0.281	S	S	.	.	S	Bend	trans	-123.5	108	-176.4	-157	-52	0	0	0	111.4	Q234 A235 R285	Q234-H237 HydrophobicContact CB-CB 4.3Å; Q234-H237 PolarHBondContact O-N 3.14Å; A235-H237 VanDerWaalsContact C-N 3.31Å; A235-H237 PolarHBondContact O-N 3.29Å; H237-R285 PolarHBondContact CE1-NH1 3.14Å; H237-R285 PolarHBondContact ND1-NH1 3.38Å; H237-R285 PolarHBondContact ND1-NH2 3.12Å
238	R	77.4	Confident	87.5	Confident	127 Å²	127	56.2 Å²	56.2	48%	0.479	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	139.7	168.6	68.4	-173.7	179.9	-177.2	-1.1	110.4	W230 R285	W230-R238 HydrophobicContact CE3-CB 3.78Å; W230-R238 HydrophobicContact CH2-CB 4.25Å; W230-R238 HydrophobicContact CZ3-CB 3.59Å; R238-R285 PolarHBondContact O-NH1 3.06Å
239	L	81.9	Confident	87.4	Confident	14 Å²	14	57.2 Å²	57.2	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-53.4	174.4	-72.2	176.9	0	0	0	110.6	L218 L229 D231 R285	L218-L239 HydrophobicContact CD1-CD1 3.41Å; L218-L239 VanDerWaalsContact CD1-CD1 3.41Å; L229-L239 HydrophobicContact CB-CB 4.08Å; L229-L239 WeakPolarHBondContact O-CB 3.15Å; L229-L239 PolarHBondContact O-N 3.26Å; D231-L239 HydrophobicContact CB-CD1 3.9Å; D231-L239 HydrophobicContact CB-CD2 3.93Å; D231-L239 HydrophobicContact CB-CG 3.85Å; L239-R285 PolarHBondContact O-NH1 3.47Å
240	F	89.3	Confident	87.5	Confident	36 Å²	36	58.4 Å²	58.4	16%	0.158	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.1	-178.9	-62.6	-78.3	0	0	0	110.9	K228 L229 A276 R285 L287	K228-F240 WeakPolarHBondContact CA-O 3.27Å; L229-F240 HydrophobicContact CB-CB 4.23Å; L229-F240 HydrophobicContact CB-CD2 4.38Å; L229-F240 HydrophobicContact CD1-CB 4.26Å; L229-F240 HydrophobicContact CD1-CD2 3.87Å; L229-F240 HydrophobicContact CD1-CG 4.49Å; L229-F240 HydrophobicContact CG-CB 4.44Å; L229-F240 PolarHBondContact N-O 3.48Å; L229-F240 PolarHBondContact O-N 2.83Å; F240-A276 HydrophobicContact CD2-CB 4.26Å; F240-A276 HydrophobicContact CE2-CB 3.98Å; F240-R285 HydrophobicContact CE1-CB 3.99Å; F240-R285 HydrophobicContact CE2-CB 4.15Å; F240-R285 HydrophobicContact CZ-CB 3.46Å; F240-R285 VanDerWaalsContact CZ-CB 3.46Å; F240-L287 HydrophobicContact CD1-CB 4.12Å; F240-L287 HydrophobicContact CD2-CD1 4.27Å; F240-L287 HydrophobicContact CE1-CB 3.78Å; F240-L287 HydrophobicContact CE2-CD1 4.4Å; F240-L287 HydrophobicContact CG-CD1 4.38Å; F240-L287 HydrophobicContact CZ-CB 3.98Å
241	A	92.2	Very high	87.6	Confident	36 Å²	36	58.3 Å²	58.3	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.5	164.7	0	0	0	0	0	107.3	V226 V227 K228	V226-A241 HydrophobicContact CG2-CB 4.16Å; V227-A241 CarbonylContact O-C 3.23Å; V227-A241 WeakPolarHBondContact O-CA 3.48Å; K228-A241 HydrophobicContact CG-CB 4.27Å
242	I	93.2	Very high	87.9	Confident	22 Å²	22	58.7 Å²	58.7	11%	0.113	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.4	-175.9	-53.3	171.1	0	0	0	106.7	V226 V227 I244 Y263 C274 L287	V226-I242 WeakPolarHBondContact CA-O 3.39Å; V227-I242 HydrophobicContact CB-CB 4.35Å; V227-I242 PolarHBondContact N-O 3.31Å; V227-I242 PolarHBondContact O-N 3.44Å; I242-I244 HydrophobicContact CG2-CG1 4.44Å; I242-Y263 HydrophobicContact CD1-CE1 4.29Å; I242-C274 HydrophobicContact CD1-CB 4.5Å; I242-L287 HydrophobicContact CD1-CD1 4.49Å; I242-L287 HydrophobicContact CD1-CD2 3.79Å; I242-L287 HydrophobicContact CG1-CD2 3.9Å
243	D	94.5	Very high	88.2	Confident	137 Å²	137	57.7 Å²	57.7	73%	0.733	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.8	176.6	-61.4	-46.9	0	0	0	110.4
244	I	93.5	Very high	88.5	Confident	9 Å²	9	50.3 Å²	50.3	5%	0.046	27%	0.272	C	S	.	.			trans	-127.9	138.4	-171.5	-64.9	177.8	0	0	0	108.7	N225 V227 I242 S246 I248 Y263 Y265	N225-I244 WeakPolarHBondContact CB-O 3.47Å; N225-I244 PolarHBondContact O-N 3.46Å; V227-I244 HydrophobicContact CB-CD1 4.36Å; V227-I244 HydrophobicContact CG2-CD1 3.56Å; I242-I244 HydrophobicContact CG2-CG1 4.44Å; I244-S246 VanDerWaalsContact CG2-O 3.26Å; I244-S246 WeakPolarHBondContact CG2-O 3.32Å; I244-S246 PolarHBondContact O-N 2.91Å; I244-I248 HydrophobicContact CD1-CD1 3.73Å; I244-I248 HydrophobicContact CD1-CG1 3.64Å; I244-I248 HydrophobicContact CG2-CG1 4.39Å; I244-Y263 HydrophobicContact CD1-CD2 3.44Å; I244-Y263 VanDerWaalsContact CD1-CD2 3.44Å; I244-Y263 HydrophobicContact CD1-CE2 3.36Å; I244-Y263 HydrophobicContact CD1-CG 4.42Å; I244-Y263 HydrophobicContact CG1-CD2 4.49Å; I244-Y263 HydrophobicContact CG1-CE2 3.97Å; I244-Y265 HydrophobicContact CG2-CD1 3.44Å; I244-Y265 VanDerWaalsContact CG2-CD1 3.44Å; I244-Y265 HydrophobicContact CG2-CD2 4.1Å; I244-Y265 HydrophobicContact CG2-CE1 4.12Å; I244-Y265 HydrophobicContact CG2-CG 3.41Å; I244-Y265 VanDerWaalsContact CG2-CG 3.41Å
245	P	92.7	Very high	89.1	Confident	90 Å²	90	46.1 Å²	46.1	58%	0.584	25%	0.254	S	S	*	.	S	Bend	trans	-71.6	-15	-171.7	28.6	-37.6	0	0	0	114.5	Y265	P245-Y265 HydrophobicContact CG-CD2 4.29Å; P245-Y265 HydrophobicContact CG-CE2 3.7Å
246	S	95.1	Very high	90	Very high	32 Å²	32	47.2 Å²	47.2	22%	0.224	26%	0.256	C	S	.	.	S	Bend	trans	-149	165	-175.2	-52	0	0	0	0	110.6	N225 I244 I248 Y265	N225-S246 PolarHBondContact OD1-O 3.01Å; I244-S246 VanDerWaalsContact CG2-O 3.26Å; I244-S246 WeakPolarHBondContact CG2-O 3.32Å; I244-S246 PolarHBondContact O-N 2.91Å; S246-I248 PolarHBondContact O-N 3.11Å; S246-Y265 WeakPolarHBondContact O-CB 3.49Å
247	P	96.2	Very high	90.7	Very high	42 Å²	42	41.5 Å²	41.5	27%	0.273	22%	0.223	S	C	.	.			trans	-57.9	133.9	-173	-28.3	35.9	0	0	0	113.1	V224 N225 V249 Y265 Q266	V224-P247 HydrophobicContact CG1-CB 3.99Å; V224-P247 HydrophobicContact CG1-CG 3.93Å; V224-P247 CarbonylContact O-C 3.6Å; V224-P247 WeakPolarHBondContact O-CA 3.44Å; N225-P247 WeakPolarHBondContact OD1-CA 3.41Å; N225-P247 VanDerWaalsContact OD1-N 3.08Å; P247-V249 PolarHBondContact O-N 2.83Å; P247-Y265 CarbonylContact O-C 3.58Å; P247-Y265 VanDerWaalsContact O-CA 3.3Å; P247-Y265 WeakPolarHBondContact O-CA 3.44Å; P247-Y265 WeakPolarHBondContact O-CB 3.14Å; P247-Q266 HydrophobicContact CB-CG 4.2Å; P247-Q266 WeakPolarHBondContact O-CG 3.41Å; P247-Q266 PolarHBondContact O-N 3.24Å
248	I	95.9	Very high	91.4	Very high	17 Å²	17	38.7 Å²	38.7	9%	0.087	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133.5	178.7	-65.8	158.4	0	0	0	109.7	Y222 D223 V224 V227 I244 S246	Y222-I248 VanDerWaalsContact CB-CD1 3.42Å; Y222-I248 HydrophobicContact CD1-CG2 3.87Å; Y222-I248 HydrophobicContact CD2-CB 3.87Å; Y222-I248 HydrophobicContact CD2-CD1 4.1Å; Y222-I248 HydrophobicContact CD2-CG2 3.83Å; Y222-I248 HydrophobicContact CE1-CG2 3.96Å; Y222-I248 HydrophobicContact CE2-CB 4.18Å; Y222-I248 HydrophobicContact CE2-CG2 3.96Å; Y222-I248 HydrophobicContact CG-CB 4.19Å; Y222-I248 HydrophobicContact CG-CD1 3.89Å; Y222-I248 HydrophobicContact CG-CG2 3.8Å; D223-I248 WeakPolarHBondContact O-CD1 3.45Å; V224-I248 PolarHBondContact O-N 2.83Å; V227-I248 HydrophobicContact CG2-CD1 3.5Å; V227-I248 VanDerWaalsContact CG2-CD1 3.5Å; V227-I248 HydrophobicContact CG2-CG1 4.3Å; I244-I248 HydrophobicContact CD1-CD1 3.73Å; I244-I248 HydrophobicContact CD1-CG1 3.64Å; I244-I248 HydrophobicContact CG2-CG1 4.39Å; S246-I248 PolarHBondContact O-N 3.11Å
249	V	94.3	Very high	91.9	Very high	52 Å²	52	32.7 Å²	32.7	32%	0.315	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-45.8	176.8	175.3	0	0	0	0	110.2	P247 L264 Q266 S303	P247-V249 PolarHBondContact O-N 2.83Å; V249-L264 HydrophobicContact CB-CD2 4.49Å; V249-L264 HydrophobicContact CB-CG 4.42Å; V249-L264 HydrophobicContact CG1-CD2 4.39Å; V249-L264 PolarHBondContact N-O 2.94Å; V249-Q266 HydrophobicContact CG2-CB 4.42Å; V249-Q266 HydrophobicContact CG2-CG 3.74Å; V249-S303 VanDerWaalsContact CG1-O 3.26Å; V249-S303 WeakPolarHBondContact CG1-O 3.48Å
250	K	94.6	Very high	92.3	Very high	24 Å²	24	32 Å²	32	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	147.9	-176.8	-172.9	170.6	-176.7	173.7	0	111.8	N3 L4 Y263 L264 F305	N3-K250 WeakPolarHBondContact OD1-CD 3.36Å; N3-K250 WeakPolarHBondContact OD1-CE 3.46Å; N3-K250 PolarHBondContact OD1-NZ 2.93Å; L4-K250 PolarHBondContact O-NZ 3.33Å; K250-Y263 CarbonylContact O-C 3.18Å; K250-Y263 WeakPolarHBondContact O-CA 3.49Å; K250-L264 PolarHBondContact N-O 3.33Å; K250-L264 PolarHBondContact O-N 3.42Å; K250-F305 HydrophobicContact CB-CE1 4.04Å; K250-F305 HydrophobicContact CD-CE1 4.37Å; K250-F305 WeakPolarHBondContact CD-O 3.4Å; K250-F305 VanDerWaalsContact CE-O 3.31Å; K250-F305 WeakPolarHBondContact CE-O 3.27Å; K250-F305 HydrophobicContact CG-CE1 4.1Å; K250-F305 HydrophobicContact CG-CZ 4.43Å; K250-F305 PolarHBondContact NZ-O 2.8Å
251	S	95.7	Very high	92.5	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.084	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.6	163.6	58	0	0	0	0	110.4	Y222 A262	Y222-S251 VanDerWaalsContact CD1-OG 3.28Å; Y222-S251 WeakPolarHBondContact CD1-OG 3.37Å; Y222-S251 WeakPolarHBondContact CE1-OG 3.33Å; S251-A262 CarbonylContact C-O 3.54Å; S251-A262 VanDerWaalsContact CA-O 3.23Å; S251-A262 WeakPolarHBondContact CA-O 3.35Å
252	A	95.4	Very high	92.6	Very high	15 Å²	15	28.6 Å²	28.6	12%	0.124	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	136.3	176.6	0	0	0	0	0	111.6	A262 F305 W307	A252-A262 PolarHBondContact N-O 3.26Å; A252-A262 PolarHBondContact O-N 2.92Å; A252-F305 HydrophobicContact CB-CE2 4.06Å; A252-F305 HydrophobicContact CB-CZ 4.21Å; A252-W307 PolarHBondContact O-NE1 3.05Å
253	W	94.9	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	145.8	172.4	-70.1	106.6	0	0	0	111.4	D210 D212 Y213 L218 S220 L229 P255 G259 L261 W307	D210-W253 PolarHBondContact O-NE1 3.02Å; D210-W253 PolarHBondContact OD2-N 3.4Å; D212-W253 HydrophobicContact CB-CD2 4.21Å; D212-W253 HydrophobicContact CB-CE3 4.49Å; D212-W253 HydrophobicContact CB-CG 4.47Å; Y213-W253 HydrophobicContact CD2-CB 3.91Å; Y213-W253 HydrophobicContact CE2-CB 4Å; Y213-W253 WeakPolarHBondContact CE2-O 3.47Å; L218-W253 HydrophobicContact CD1-CH2 4.05Å; L218-W253 HydrophobicContact CD1-CZ2 4.17Å; L218-W253 HydrophobicContact CD2-CH2 3.57Å; L218-W253 HydrophobicContact CD2-CZ2 4.08Å; L218-W253 HydrophobicContact CD2-CZ3 3.95Å; L218-W253 HydrophobicContact CG-CH2 3.67Å; L218-W253 HydrophobicContact CG-CZ2 3.69Å; L218-W253 HydrophobicContact CG-CZ3 4.46Å; S220-W253 PolarHBondContact OG-NE1 3.43Å; L229-W253 HydrophobicContact CD1-CH2 4.27Å; L229-W253 HydrophobicContact CD2-CH2 3.5Å; L229-W253 HydrophobicContact CD2-CZ2 3.5Å; L229-W253 HydrophobicContact CG-CH2 4.5Å; W253-P255 WeakPolarHBondContact O-CD 3.02Å; W253-G259 VanDerWaalsContact CZ3-C 3.48Å; W253-L261 HydrophobicContact CD2-CB 4.3Å; W253-L261 HydrophobicContact CD2-CD1 3.78Å; W253-L261 HydrophobicContact CE3-CB 3.77Å; W253-L261 HydrophobicContact CE3-CD1 4.13Å; W253-L261 HydrophobicContact CG-CD1 4.03Å; W253-L261 HydrophobicContact CH2-CB 4.16Å; W253-L261 HydrophobicContact CZ2-CD1 4.41Å; W253-L261 HydrophobicContact CZ3-CB 3.66Å; W253-W307 PolarHBondContact O-NE1 3.26Å
254	N	91.5	Very high	92.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.128	C	C	.	.			trans	-73.4	120	175.1	-175.6	-45.7	0	0	0	109.3	N256 R257 S260 W307	N254-N256 PolarHBondContact O-N 3.24Å; N254-N256 WeakPolarHBondContact OD1-CA 3.46Å; N254-N256 WeakPolarHBondContact OD1-CB 3.14Å; N254-N256 PolarHBondContact OD1-N 3.04Å; N254-R257 HydrophobicContact CB-CB 4.15Å; N254-R257 PolarHBondContact O-N 2.91Å; N254-R257 PolarHBondContact OD1-N 3.22Å; N254-S260 WeakPolarHBondContact CB-O 3.41Å; N254-S260 PolarHBondContact N-O 3.21Å; N254-W307 HydrophobicContact CB-CD2 4.02Å; N254-W307 HydrophobicContact CB-CE3 4.29Å; N254-W307 HydrophobicContact CB-CH2 4.18Å; N254-W307 HydrophobicContact CB-CZ2 3.82Å; N254-W307 HydrophobicContact CB-CZ3 4.39Å; N254-W307 VanDerWaalsContact ND2-CE3 3.34Å; N254-W307 WeakPolarHBondContact ND2-CH2 3.33Å; N254-W307 WeakPolarHBondContact ND2-CZ3 3.47Å
255	P	91.3	Very high	92.9	Very high	17 Å²	17	22.4 Å²	22.4	11%	0.11	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-19.7	-178.1	27	-33.5	0	0	0	113.8	Y213 F214 W253 W307 P309	Y213-P255 HydrophobicContact CD1-CB 3.98Å; Y213-P255 VanDerWaalsContact CD2-CA 3.5Å; Y213-P255 HydrophobicContact CD2-CB 4.16Å; Y213-P255 HydrophobicContact CE1-CB 3.8Å; Y213-P255 HydrophobicContact CE2-CB 3.99Å; Y213-P255 HydrophobicContact CG-CB 4.14Å; F214-P255 WeakPolarHBondContact CE2-O 3.44Å; F214-P255 WeakPolarHBondContact CZ-O 3.5Å; W253-P255 WeakPolarHBondContact O-CD 3.02Å; P255-W307 HydrophobicContact CG-CB 3.8Å; P255-P309 HydrophobicContact CB-CB 4.12Å; P255-P309 HydrophobicContact CB-CG 4.1Å; P255-P309 HydrophobicContact CG-CB 3.94Å; P255-P309 HydrophobicContact CG-CG 3.74Å
256	N	87	Confident	92.9	Very high	45 Å²	45	22.1 Å²	22.1	24%	0.241	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-7.5	-178.5	-52.6	107.5	0	0	0	113.2	N254 P309 R312	N254-N256 PolarHBondContact O-N 3.24Å; N254-N256 WeakPolarHBondContact OD1-CA 3.46Å; N254-N256 WeakPolarHBondContact OD1-CB 3.14Å; N254-N256 PolarHBondContact OD1-N 3.04Å; N256-P309 PolarHBondContact ND2-O 3.4Å; N256-P309 WeakPolarHBondContact OD1-CA 3.32Å; N256-R312 HydrophobicContact CB-CB 4.35Å; N256-R312 HydrophobicContact CB-CG 4.31Å
257	R	84.6	Confident	92.5	Very high	43 Å²	43	30.5 Å²	30.5	16%	0.162	15%	0.151	C	C	.	.	S	Bend	trans	-143.5	113.7	-172.1	-69.1	-93.8	-84.5	-80.7	-7.1	112.6	N254 S260	N254-R257 HydrophobicContact CB-CB 4.15Å; N254-R257 PolarHBondContact O-N 2.91Å; N254-R257 PolarHBondContact OD1-N 3.22Å; R257-S260 WeakPolarHBondContact O-CB 3.47Å; R257-S260 PolarHBondContact O-N 3.5Å
258	S	87.5	Confident	92.1	Very high	42 Å²	42	28.7 Å²	28.7	29%	0.294	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	139.4	174.5	-168.3	0	0	0	0	112.5	D212 F214 R215 S260	D212-S258 WeakPolarHBondContact OD1-CA 3.26Å; D212-S258 PolarHBondContact OD2-OG 3.18Å; F214-S258 VanDerWaalsContact CD2-N 3.31Å; R215-S258 PolarHBondContact NE-OG 3.23Å; S258-S260 PolarHBondContact O-N 2.86Å
259	G	88.6	Confident	92	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	6.8	177.9	0	0	0	0	0	114	D212 W253 Q275 A276	D212-G259 PolarHBondContact OD1-N 3.05Å; W253-G259 VanDerWaalsContact CZ3-C 3.48Å; G259-Q275 CarbonylContact O-C 3.56Å; G259-Q275 WeakPolarHBondContact O-CA 3.41Å; G259-A276 PolarHBondContact O-N 3.5Å
260	S	90.5	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.8	177.6	-179	0	0	0	0	110.1	N254 R257 S258 C274	N254-S260 WeakPolarHBondContact CB-O 3.41Å; N254-S260 PolarHBondContact N-O 3.21Å; R257-S260 WeakPolarHBondContact O-CB 3.47Å; R257-S260 PolarHBondContact O-N 3.5Å; S258-S260 PolarHBondContact O-N 2.86Å; S260-C274 WeakPolarHBondContact CA-O 3.49Å
261	L	93.8	Very high	91.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.2	178.5	-177.3	76.5	0	0	0	109.6	V227 L229 W253 T273 C274	V227-L261 HydrophobicContact CG1-CD2 3.68Å; L229-L261 HydrophobicContact CD2-CD2 3.92Å; W253-L261 HydrophobicContact CD2-CB 4.3Å; W253-L261 HydrophobicContact CD2-CD1 3.78Å; W253-L261 HydrophobicContact CE3-CB 3.77Å; W253-L261 HydrophobicContact CE3-CD1 4.13Å; W253-L261 HydrophobicContact CG-CD1 4.03Å; W253-L261 HydrophobicContact CH2-CB 4.16Å; W253-L261 HydrophobicContact CZ2-CD1 4.41Å; W253-L261 HydrophobicContact CZ3-CB 3.66Å; L261-T273 CarbonylContact O-C 3.33Å; L261-T273 VanDerWaalsContact O-CA 3.25Å; L261-T273 WeakPolarHBondContact O-CA 3.43Å; L261-C274 PolarHBondContact N-O 3.39Å; L261-C274 PolarHBondContact O-N 3.45Å
262	A	94.7	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.3	163	0	0	0	0	0	110.9	S251 A252 I271 K272 T273 F305 W307	S251-A262 CarbonylContact C-O 3.54Å; S251-A262 VanDerWaalsContact CA-O 3.23Å; S251-A262 WeakPolarHBondContact CA-O 3.35Å; A252-A262 PolarHBondContact N-O 3.26Å; A252-A262 PolarHBondContact O-N 2.92Å; A262-I271 HydrophobicContact CB-CG2 3.9Å; A262-K272 CarbonylContact C-O 3.56Å; A262-K272 VanDerWaalsContact CA-O 3.29Å; A262-K272 WeakPolarHBondContact CA-O 3.25Å; A262-T273 HydrophobicContact CB-CG2 4.11Å; A262-F305 HydrophobicContact CB-CD2 4.29Å; A262-F305 HydrophobicContact CB-CE2 3.43Å; A262-F305 VanDerWaalsContact CB-CE2 3.43Å; A262-F305 HydrophobicContact CB-CZ 3.6Å; A262-F305 WeakPolarHBondContact O-CZ 3.23Å; A262-W307 HydrophobicContact CB-CH2 4.15Å; A262-W307 HydrophobicContact CB-CZ2 3.3Å
263	Y	95.7	Very high	91.6	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.035	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151	172.7	61.7	-87.3	0	0	0	112	V227 I242 I244 K250 K272	V227-Y263 HydrophobicContact CG2-CD2 4.28Å; V227-Y263 HydrophobicContact CG2-CG 4.1Å; I242-Y263 HydrophobicContact CD1-CE1 4.29Å; I244-Y263 HydrophobicContact CD1-CD2 3.44Å; I244-Y263 VanDerWaalsContact CD1-CD2 3.44Å; I244-Y263 HydrophobicContact CD1-CE2 3.36Å; I244-Y263 HydrophobicContact CD1-CG 4.42Å; I244-Y263 HydrophobicContact CG1-CD2 4.49Å; I244-Y263 HydrophobicContact CG1-CE2 3.97Å; K250-Y263 CarbonylContact O-C 3.18Å; K250-Y263 WeakPolarHBondContact O-CA 3.49Å; Y263-K272 HydrophobicContact CD1-CB 4.3Å; Y263-K272 HydrophobicContact CD2-CB 4.04Å; Y263-K272 HydrophobicContact CE1-CB 3.8Å; Y263-K272 HydrophobicContact CE2-CB 3.52Å; Y263-K272 HydrophobicContact CE2-CD 3.64Å; Y263-K272 HydrophobicContact CE2-CG 4.09Å; Y263-K272 HydrophobicContact CG-CB 4.4Å; Y263-K272 PolarHBondContact N-O 2.87Å; Y263-K272 PolarHBondContact O-N 2.93Å; Y263-K272 WeakPolarHBondContact OH-CD 3.34Å
264	L	95.9	Very high	91.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.8	179	-178.4	69.8	0	0	0	108.6	V249 K250 V270 I271 M302 F305	V249-L264 HydrophobicContact CB-CD2 4.49Å; V249-L264 HydrophobicContact CB-CG 4.42Å; V249-L264 HydrophobicContact CG1-CD2 4.39Å; V249-L264 PolarHBondContact N-O 2.94Å; K250-L264 PolarHBondContact N-O 3.33Å; K250-L264 PolarHBondContact O-N 3.42Å; L264-V270 WeakPolarHBondContact CD1-O 3.4Å; L264-I271 HydrophobicContact CD1-CG1 4.33Å; L264-M302 HydrophobicContact CD1-CB 4.46Å; L264-M302 HydrophobicContact CD2-CB 4.32Å; L264-F305 HydrophobicContact CB-CD1 3.85Å; L264-F305 HydrophobicContact CB-CE1 3.89Å
265	Y	94.6	Very high	91.2	Very high	30 Å²	30	36.9 Å²	36.9	12%	0.118	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	162.1	175.7	56.8	-90.2	0	0	0	110.9	I244 P245 S246 P247 Y267 S268 K272	I244-Y265 HydrophobicContact CG2-CD1 3.44Å; I244-Y265 VanDerWaalsContact CG2-CD1 3.44Å; I244-Y265 HydrophobicContact CG2-CD2 4.1Å; I244-Y265 HydrophobicContact CG2-CE1 4.12Å; I244-Y265 HydrophobicContact CG2-CG 3.41Å; I244-Y265 VanDerWaalsContact CG2-CG 3.41Å; P245-Y265 HydrophobicContact CG-CD2 4.29Å; P245-Y265 HydrophobicContact CG-CE2 3.7Å; S246-Y265 WeakPolarHBondContact O-CB 3.49Å; P247-Y265 CarbonylContact O-C 3.58Å; P247-Y265 VanDerWaalsContact O-CA 3.3Å; P247-Y265 WeakPolarHBondContact O-CA 3.44Å; P247-Y265 WeakPolarHBondContact O-CB 3.14Å; Y265-Y267 PolarHBondContact O-N 2.94Å; Y265-S268 WeakPolarHBondContact O-CB 3.39Å; Y265-S268 PolarHBondContact O-N 2.76Å; Y265-K272 HydrophobicContact CE1-CD 3.88Å; Y265-K272 HydrophobicContact CE1-CG 4.32Å; Y265-K272 WeakPolarHBondContact OH-CE 3.2Å
266	Q	92.8	Very high	90.8	Very high	84 Å²	84	36.3 Å²	36.3	39%	0.393	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	138.9	-174.9	-73.6	-178.1	-7.6	0	0	111.1	P247 V249 S268	P247-Q266 HydrophobicContact CB-CG 4.2Å; P247-Q266 WeakPolarHBondContact O-CG 3.41Å; P247-Q266 PolarHBondContact O-N 3.24Å; V249-Q266 HydrophobicContact CG2-CB 4.42Å; V249-Q266 HydrophobicContact CG2-CG 3.74Å; Q266-S268 PolarHBondContact O-N 3.39Å
267	Y	86.1	Confident	90.2	Very high	208 Å²	208	41 Å²	41	82%	0.816	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	6.7	-178.3	-43.7	-68.1	0	0	0	114.9	Y265 K269	Y265-Y267 PolarHBondContact O-N 2.94Å; Y267-K269 PolarHBondContact O-N 2.96Å
268	S	89.5	Confident	89.3	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.028	18%	0.182	C	C	.	.			trans	-68.4	128.3	175	-170.8	0	0	0	0	110.5	Y265 Q266 V270	Y265-S268 WeakPolarHBondContact O-CB 3.39Å; Y265-S268 PolarHBondContact O-N 2.76Å; Q266-S268 PolarHBondContact O-N 3.39Å; S268-V270 PolarHBondContact O-N 2.94Å; S268-V270 WeakPolarHBondContact OG-CG2 3.34Å; S268-V270 PolarHBondContact OG-N 3.17Å; S268-V270 VanDerWaalsContact OG-N 3.08Å; S268-V270 PolarHBondContact OG-O 3.33Å
269	K	92.2	Very high	87.9	Confident	142 Å²	142	39 Å²	39	62%	0.617	17%	0.174	S	C	*	.	S	Bend	trans	-83.7	6.8	166.8	-61.1	-170.8	177.2	-171.2	0	112.7	Y267 P293 A294	Y267-K269 PolarHBondContact O-N 2.96Å; K269-P293 CarbonylContact O-C 3.56Å; K269-A294 WeakPolarHBondContact O-CB 3.31Å; K269-A294 PolarHBondContact O-N 3.11Å
270	V	93.4	Very high	86.5	Confident	33 Å²	33	44.3 Å²	44.3	20%	0.2	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138	-176.5	-57.9	0	0	0	0	111.7	L264 S268 K272 F291 L292	L264-V270 WeakPolarHBondContact CD1-O 3.4Å; S268-V270 PolarHBondContact O-N 2.94Å; S268-V270 WeakPolarHBondContact OG-CG2 3.34Å; S268-V270 PolarHBondContact OG-N 3.17Å; S268-V270 VanDerWaalsContact OG-N 3.08Å; S268-V270 PolarHBondContact OG-O 3.33Å; V270-K272 HydrophobicContact CG2-CG 4.05Å; V270-F291 HydrophobicContact CB-CB 4Å; V270-F291 HydrophobicContact CG1-CB 4.21Å; V270-F291 HydrophobicContact CG2-CB 4.33Å; V270-L292 CarbonylContact C-O 3.59Å; V270-L292 VanDerWaalsContact CA-O 3.27Å; V270-L292 WeakPolarHBondContact CA-O 3.21Å
271	I	94.6	Very high	84.9	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120	160.3	-60.9	159.6	0	0	0	106.1	A262 L264 F291 L292 F297 M302 F305 V315 A317	A262-I271 HydrophobicContact CB-CG2 3.9Å; L264-I271 HydrophobicContact CD1-CG1 4.33Å; I271-F291 CarbonylContact O-C 3.33Å; I271-F291 WeakPolarHBondContact O-CA 3.48Å; I271-L292 HydrophobicContact CB-CB 4.21Å; I271-L292 PolarHBondContact N-O 2.97Å; I271-L292 PolarHBondContact O-N 3.26Å; I271-F297 HydrophobicContact CD1-CE2 4.06Å; I271-F297 HydrophobicContact CD1-CZ 4.01Å; I271-M302 HydrophobicContact CD1-CE 4.32Å; I271-M302 HydrophobicContact CD1-SD 3.66Å; I271-M302 HydrophobicContact CG1-CE 3.79Å; I271-M302 HydrophobicContact CG1-SD 3.75Å; I271-F305 HydrophobicContact CD1-CB 3.56Å; I271-F305 HydrophobicContact CD1-CG 4.06Å; I271-F305 HydrophobicContact CG1-CB 4.19Å; I271-F305 HydrophobicContact CG1-CD1 4.32Å; I271-F305 HydrophobicContact CG1-CG 4.3Å; I271-F305 HydrophobicContact CG2-CD1 4.26Å; I271-F305 HydrophobicContact CG2-CD2 4.44Å; I271-F305 HydrophobicContact CG2-CE1 4.43Å; I271-F305 HydrophobicContact CG2-CG 4.28Å; I271-V315 HydrophobicContact CD1-CG1 4.1Å; I271-A317 HydrophobicContact CD1-CB 4.14Å
272	K	93.8	Very high	83.1	Confident	46 Å²	46	56.2 Å²	56.2	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.5	175.7	-69.4	-169.5	176.7	174	0	108.9	A262 Y263 Y265 V270 R290	A262-K272 CarbonylContact C-O 3.56Å; A262-K272 VanDerWaalsContact CA-O 3.29Å; A262-K272 WeakPolarHBondContact CA-O 3.25Å; Y263-K272 HydrophobicContact CD1-CB 4.3Å; Y263-K272 HydrophobicContact CD2-CB 4.04Å; Y263-K272 HydrophobicContact CE1-CB 3.8Å; Y263-K272 HydrophobicContact CE2-CB 3.52Å; Y263-K272 HydrophobicContact CE2-CD 3.64Å; Y263-K272 HydrophobicContact CE2-CG 4.09Å; Y263-K272 HydrophobicContact CG-CB 4.4Å; Y263-K272 PolarHBondContact N-O 2.87Å; Y263-K272 PolarHBondContact O-N 2.93Å; Y263-K272 WeakPolarHBondContact OH-CD 3.34Å; Y265-K272 HydrophobicContact CE1-CD 3.88Å; Y265-K272 HydrophobicContact CE1-CG 4.32Å; Y265-K272 WeakPolarHBondContact OH-CE 3.2Å; V270-K272 HydrophobicContact CG2-CG 4.05Å; K272-R290 CarbonylContact C-O 3.58Å; K272-R290 WeakPolarHBondContact CA-O 3.44Å
273	T	90.9	Very high	81.7	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.3	172.7	72.8	0	0	0	0	109	L261 A262 S289 R290 W307 Y329	L261-T273 CarbonylContact O-C 3.33Å; L261-T273 VanDerWaalsContact O-CA 3.25Å; L261-T273 WeakPolarHBondContact O-CA 3.43Å; A262-T273 HydrophobicContact CB-CG2 4.11Å; T273-S289 CarbonylContact O-C 3.52Å; T273-S289 VanDerWaalsContact O-CA 3.27Å; T273-S289 WeakPolarHBondContact O-CA 3.33Å; T273-R290 PolarHBondContact N-O 2.65Å; T273-R290 PolarHBondContact O-N 3.43Å; T273-R290 WeakPolarHBondContact OG1-CB 3.41Å; T273-W307 HydrophobicContact CG2-CH2 4.26Å; T273-Y329 HydrophobicContact CG2-CD2 4.17Å; T273-Y329 HydrophobicContact CG2-CE2 3.53Å; T273-Y329 WeakPolarHBondContact OG1-CE2 3.21Å; T273-Y329 PolarHBondContact OG1-OH 2.95Å
274	C	89.9	Confident	80.2	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.8	170.8	60.5	0	0	0	0	111.4	I242 S260 L261 L287 S288	I242-C274 HydrophobicContact CD1-CB 4.5Å; S260-C274 WeakPolarHBondContact CA-O 3.49Å; L261-C274 PolarHBondContact N-O 3.39Å; L261-C274 PolarHBondContact O-N 3.45Å; C274-L287 HydrophobicContact CB-CD1 3.72Å; C274-L287 HydrophobicContact CB-CG 4.11Å; C274-S288 CarbonylContact C-O 3.44Å; C274-S288 WeakPolarHBondContact CA-O 3.27Å; C274-S288 WeakPolarHBondContact CB-O 3.48Å
275	Q	86.8	Confident	79.2	Confident	69 Å²	69	70.5 Å²	70.5	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.8	172.6	-168.9	174.5	-3	0	0	108.5	G259 L287 S288	G259-Q275 CarbonylContact O-C 3.56Å; G259-Q275 WeakPolarHBondContact O-CA 3.41Å; Q275-L287 WeakPolarHBondContact O-CA 3.48Å; Q275-S288 WeakPolarHBondContact CB-OG 3.3Å; Q275-S288 PolarHBondContact N-O 2.78Å; Q275-S288 PolarHBondContact O-N 3.01Å; Q275-S288 VanDerWaalsContact O-N 3.13Å
276	A	84.1	Confident	78.3	Confident	6 Å²	6	72.9 Å²	72.9	5%	0.05	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.2	177.1	0	0	0	0	0	109.7	L229 F240 G259 L287	L229-A276 HydrophobicContact CD1-CB 3.63Å; F240-A276 HydrophobicContact CD2-CB 4.26Å; F240-A276 HydrophobicContact CE2-CB 3.98Å; G259-A276 PolarHBondContact O-N 3.5Å; A276-L287 HydrophobicContact CB-CD1 4.11Å
277	W	75	Confident	77.8	Confident	143 Å²	143	72 Å²	72	54%	0.542	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.6	171.7	-167.9	82.2	0	0	0	109.9	A279 R285 T286	W277-A279 HydrophobicContact CE3-CB 4.36Å; W277-A279 HydrophobicContact CH2-CB 3.36Å; W277-A279 HydrophobicContact CZ2-CB 4.1Å; W277-A279 HydrophobicContact CZ3-CB 3.52Å; W277-R285 WeakPolarHBondContact O-CA 3.45Å; W277-T286 PolarHBondContact N-O 3.42Å; W277-T286 PolarHBondContact O-N 3.1Å
278	C	65.4	Low	77.7	Confident	28 Å²	28	64.7 Å²	64.7	19%	0.189	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	114.8	174.2	-173.4	0	0	0	0	106	S280	C278-S280 PolarHBondContact O-N 3.4Å
279	A	58.2	Low	77.5	Confident	15 Å²	15	68 Å²	68	12%	0.124	36%	0.363	C	S	.	.			trans	-62.6	139.7	175.8	0	0	0	0	0	108.7	W277 K281 S282	W277-A279 HydrophobicContact CE3-CB 4.36Å; W277-A279 HydrophobicContact CH2-CB 3.36Å; W277-A279 HydrophobicContact CZ2-CB 4.1Å; W277-A279 HydrophobicContact CZ3-CB 3.52Å; A279-K281 PolarHBondContact O-N 2.77Å; A279-S282 WeakPolarHBondContact CB-OG 3.47Å
280	S	58.7	Low	77.1	Confident	112 Å²	112	64.6 Å²	64.6	78%	0.783	35%	0.347	S	S	*	.	S	Bend	trans	-65.8	-20.4	179.3	53.2	0	0	0	0	113.3	C278	C278-S280 PolarHBondContact O-N 3.4Å
281	K	56.7	Low	76.9	Confident	203 Å²	203	69 Å²	69	88%	0.883	36%	0.363	S	S	*	.	S	Bend	trans	-120.5	-3.9	-173.3	-66.6	-174.8	177.9	-178.7	0	115	A279	A279-K281 PolarHBondContact O-N 2.77Å
282	S	56.7	Low	76.8	Confident	48 Å²	48	69.4 Å²	69.4	34%	0.336	37%	0.365	S	S	.	.	S	Bend	trans	-126.5	157.6	179	75.3	0	0	0	0	111.3	A279 E284	A279-S282 WeakPolarHBondContact CB-OG 3.47Å; S282-E284 PolarHBondContact O-N 3.33Å; S282-E284 WeakPolarHBondContact OG-CB 3.38Å; S282-E284 PolarHBondContact OG-N 3.46Å
283	S	64.2	Low	76.8	Confident	111 Å²	111	69.4 Å²	69.4	78%	0.776	37%	0.37	S	S	*	.	S	Bend	trans	-76.6	0	170.4	52.8	0	0	0	0	112.8	R285	S283-R285 PolarHBondContact O-N 2.77Å
284	E	65.3	Low	76.9	Confident	134 Å²	134	69.4 Å²	69.4	63%	0.626	37%	0.37	S	S	*	.			trans	-71.2	125.7	178.8	-65.9	-179.5	165.7	0	0	110.5	S282	S282-E284 PolarHBondContact O-N 3.33Å; S282-E284 WeakPolarHBondContact OG-CB 3.38Å; S282-E284 PolarHBondContact OG-N 3.46Å
285	R	73.3	Confident	77	Confident	63 Å²	63	73.6 Å²	73.6	24%	0.238	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.8	-179.3	-58.5	172.4	-173.8	174.7	1.4	107.1	H237 R238 L239 F240 W277 S283	H237-R285 PolarHBondContact CE1-NH1 3.14Å; H237-R285 PolarHBondContact ND1-NH1 3.38Å; H237-R285 PolarHBondContact ND1-NH2 3.12Å; R238-R285 PolarHBondContact O-NH1 3.06Å; L239-R285 PolarHBondContact O-NH1 3.47Å; F240-R285 HydrophobicContact CE1-CB 3.99Å; F240-R285 HydrophobicContact CE2-CB 4.15Å; F240-R285 HydrophobicContact CZ-CB 3.46Å; F240-R285 VanDerWaalsContact CZ-CB 3.46Å; W277-R285 WeakPolarHBondContact O-CA 3.45Å; S283-R285 PolarHBondContact O-N 2.77Å
286	T	77.6	Confident	77.2	Confident	81 Å²	81	75 Å²	75	50%	0.497	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.4	177.9	52.4	0	0	0	0	110.2	W277	W277-T286 PolarHBondContact N-O 3.42Å; W277-T286 PolarHBondContact O-N 3.1Å
287	L	82.2	Confident	77.5	Confident	65 Å²	65	74.9 Å²	74.9	34%	0.34	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.6	174	-169.5	77.4	0	0	0	107.2	L229 F240 I242 C274 Q275 A276	L229-L287 HydrophobicContact CD1-CD1 4.38Å; F240-L287 HydrophobicContact CD1-CB 4.12Å; F240-L287 HydrophobicContact CD2-CD1 4.27Å; F240-L287 HydrophobicContact CE1-CB 3.78Å; F240-L287 HydrophobicContact CE2-CD1 4.4Å; F240-L287 HydrophobicContact CG-CD1 4.38Å; F240-L287 HydrophobicContact CZ-CB 3.98Å; I242-L287 HydrophobicContact CD1-CD1 4.49Å; I242-L287 HydrophobicContact CD1-CD2 3.79Å; I242-L287 HydrophobicContact CG1-CD2 3.9Å; C274-L287 HydrophobicContact CB-CD1 3.72Å; C274-L287 HydrophobicContact CB-CG 4.11Å; Q275-L287 WeakPolarHBondContact O-CA 3.48Å; A276-L287 HydrophobicContact CB-CD1 4.11Å
288	S	82.4	Confident	78.3	Confident	55 Å²	55	74.9 Å²	74.9	39%	0.385	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144.9	166.3	66.3	0	0	0	0	108.8	C274 Q275	C274-S288 CarbonylContact C-O 3.44Å; C274-S288 WeakPolarHBondContact CA-O 3.27Å; C274-S288 WeakPolarHBondContact CB-O 3.48Å; Q275-S288 WeakPolarHBondContact CB-OG 3.3Å; Q275-S288 PolarHBondContact N-O 2.78Å; Q275-S288 PolarHBondContact O-N 3.01Å; Q275-S288 VanDerWaalsContact O-N 3.13Å
289	S	85.2	Confident	79.6	Confident	74 Å²	74	74.2 Å²	74.2	52%	0.517	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.5	178.9	69.8	0	0	0	0	111.2	T273	T273-S289 CarbonylContact O-C 3.52Å; T273-S289 VanDerWaalsContact O-CA 3.27Å; T273-S289 WeakPolarHBondContact O-CA 3.33Å
290	R	85	Confident	81.2	Confident	70 Å²	70	79 Å²	79	26%	0.264	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	173.1	173.7	-46.7	-178.7	-173.5	-136.2	-10.7	109.8	K272 T273 S332	K272-R290 CarbonylContact C-O 3.58Å; K272-R290 WeakPolarHBondContact CA-O 3.44Å; T273-R290 PolarHBondContact N-O 2.65Å; T273-R290 PolarHBondContact O-N 3.43Å; T273-R290 WeakPolarHBondContact OG1-CB 3.41Å; R290-S332 VanDerWaalsContact CZ-OG 3.27Å; R290-S332 PolarHBondContact NH1-OG 3.16Å; R290-S332 VanDerWaalsContact NH1-OG 3.13Å; R290-S332 PolarHBondContact NH2-OG 2.93Å
291	F	89.4	Confident	82.6	Confident	125 Å²	125	78.7 Å²	78.7	55%	0.548	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.5	-178	-9.1	-81.2	0	0	0	109.1	V270 I271	V270-F291 HydrophobicContact CB-CB 4Å; V270-F291 HydrophobicContact CG1-CB 4.21Å; V270-F291 HydrophobicContact CG2-CB 4.33Å; I271-F291 CarbonylContact O-C 3.33Å; I271-F291 WeakPolarHBondContact O-CA 3.48Å
292	L	91.2	Very high	84.3	Confident	8 Å²	8	69.4 Å²	69.4	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.8	166	-69.4	169.4	0	0	0	108	V270 I271 M296 F297 V315 Y329	V270-L292 CarbonylContact C-O 3.59Å; V270-L292 VanDerWaalsContact CA-O 3.27Å; V270-L292 WeakPolarHBondContact CA-O 3.21Å; I271-L292 HydrophobicContact CB-CB 4.21Å; I271-L292 PolarHBondContact N-O 2.97Å; I271-L292 PolarHBondContact O-N 3.26Å; L292-M296 HydrophobicContact CD2-SD 3.75Å; L292-F297 HydrophobicContact CB-CE2 4.28Å; L292-V315 HydrophobicContact CD1-CB 4.16Å; L292-V315 HydrophobicContact CD1-CG1 4.39Å; L292-V315 HydrophobicContact CD1-CG2 3.92Å; L292-Y329 HydrophobicContact CD1-CD2 3.83Å; L292-Y329 HydrophobicContact CD1-CG 4.49Å; L292-Y329 HydrophobicContact CD2-CD2 3.99Å; L292-Y329 HydrophobicContact CG-CD2 4.01Å
293	P	93.8	Very high	86	Confident	46 Å²	46	67.6 Å²	67.6	30%	0.299	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	148.1	178.5	-20.8	34.1	0	0	0	113.4	K269 S295 M296	K269-P293 CarbonylContact O-C 3.56Å; P293-S295 PolarHBondContact O-N 3.49Å; P293-M296 WeakPolarHBondContact O-CB 3.33Å; P293-M296 PolarHBondContact O-N 2.9Å
294	A	92.9	Very high	87.5	Confident	2 Å²	2	62.4 Å²	62.4	2%	0.017	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-57	-33.7	174.2	0	0	0	0	0	111.8	K269 M296 F297 N298 F299 M302	K269-A294 WeakPolarHBondContact O-CB 3.31Å; K269-A294 PolarHBondContact O-N 3.11Å; A294-M296 PolarHBondContact O-N 2.96Å; A294-M296 VanDerWaalsContact O-N 3.17Å; A294-F297 CarbonylContact O-C 3.54Å; A294-F297 WeakPolarHBondContact O-CA 3.36Å; A294-F297 WeakPolarHBondContact O-CB 3.46Å; A294-F297 PolarHBondContact O-N 3.38Å; A294-N298 PolarHBondContact O-N 2.96Å; A294-F299 CarbonylContact C-O 3.54Å; A294-F299 VanDerWaalsContact C-O 3.23Å; A294-F299 HydrophobicContact CB-CB 4.19Å; A294-F299 VanDerWaalsContact CB-O 3.23Å; A294-F299 WeakPolarHBondContact CB-O 3.4Å; A294-F299 PolarHBondContact O-N 3.33Å; A294-M302 HydrophobicContact CB-CE 3.9Å; A294-M302 HydrophobicContact CB-CG 4.11Å; A294-M302 HydrophobicContact CB-SD 4.39Å
295	S	92.6	Very high	88.9	Confident	87 Å²	87	56 Å²	56	61%	0.608	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.8	176.7	60.9	0	0	0	0	113.3	P293 F297 N298	P293-S295 PolarHBondContact O-N 3.49Å; S295-F297 PolarHBondContact O-N 3.45Å; S295-N298 PolarHBondContact O-N 3.21Å; S295-N298 VanDerWaalsContact O-N 3.14Å
296	M	91	Very high	90	Very high	99 Å²	99	53.5 Å²	53.5	49%	0.488	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-68	-22	175.2	-132	-178	-138.7	0	0	112.5	L292 P293 A294 C327	L292-M296 HydrophobicContact CD2-SD 3.75Å; P293-M296 WeakPolarHBondContact O-CB 3.33Å; P293-M296 PolarHBondContact O-N 2.9Å; A294-M296 PolarHBondContact O-N 2.96Å; A294-M296 VanDerWaalsContact O-N 3.17Å; M296-C327 HydrophobicContact CB-CB 4.45Å; M296-C327 WeakPolarHBondContact CG-SG 3.46Å; M296-C327 PolarHBondContact SD-SG 3.38Å
297	F	91.3	Very high	90.7	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.018	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-100.8	5.7	175.6	-61.5	-91.4	0	0	0	112.3	I271 L292 A294 S295 F299 M302 V315 A317 A325 C327	I271-F297 HydrophobicContact CD1-CE2 4.06Å; I271-F297 HydrophobicContact CD1-CZ 4.01Å; L292-F297 HydrophobicContact CB-CE2 4.28Å; A294-F297 CarbonylContact O-C 3.54Å; A294-F297 WeakPolarHBondContact O-CA 3.36Å; A294-F297 WeakPolarHBondContact O-CB 3.46Å; A294-F297 PolarHBondContact O-N 3.38Å; S295-F297 PolarHBondContact O-N 3.45Å; F297-F299 HydrophobicContact CB-CB 4.45Å; F297-F299 HydrophobicContact CB-CD2 3.5Å; F297-F299 HydrophobicContact CB-CE2 3.85Å; F297-F299 HydrophobicContact CB-CG 3.95Å; F297-F299 HydrophobicContact CG-CD2 4.34Å; F297-F299 WeakPolarHBondContact O-CD1 3.19Å; F297-F299 PolarHBondContact O-N 3.1Å; F297-M302 HydrophobicContact CD2-SD 3.77Å; F297-M302 HydrophobicContact CE2-SD 3.85Å; F297-V315 WeakPolarHBondContact CE1-O 3.44Å; F297-V315 HydrophobicContact CZ-CB 4.38Å; F297-V315 HydrophobicContact CZ-CG1 4.27Å; F297-A317 HydrophobicContact CD1-CB 3.58Å; F297-A317 HydrophobicContact CD2-CB 4.18Å; F297-A317 HydrophobicContact CE1-CB 3.47Å; F297-A317 VanDerWaalsContact CE1-CB 3.47Å; F297-A317 HydrophobicContact CE2-CB 4.11Å; F297-A317 HydrophobicContact CG-CB 3.93Å; F297-A317 HydrophobicContact CZ-CB 3.76Å; F297-A325 HydrophobicContact CB-CB 4.12Å; F297-A325 HydrophobicContact CD1-CB 4.31Å; F297-A325 WeakPolarHBondContact CD1-O 3.36Å; F297-A325 WeakPolarHBondContact O-CB 3.24Å; F297-C327 HydrophobicContact CD1-CB 3.7Å; F297-C327 HydrophobicContact CD2-CB 4.28Å; F297-C327 HydrophobicContact CE1-CB 3.42Å; F297-C327 VanDerWaalsContact CE1-CB 3.42Å; F297-C327 HydrophobicContact CE2-CB 4.02Å; F297-C327 HydrophobicContact CG-CB 4.14Å; F297-C327 HydrophobicContact CZ-CB 3.59Å
298	N	91.4	Very high	91.2	Very high	142 Å²	142	47 Å²	47	76%	0.759	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	30.7	-168	-57.8	-39.9	0	0	0	113.9	A294 S295 Q322	A294-N298 PolarHBondContact O-N 2.96Å; S295-N298 PolarHBondContact O-N 3.21Å; S295-N298 VanDerWaalsContact O-N 3.14Å; N298-Q322 PolarHBondContact O-NE2 2.93Å; N298-Q322 VanDerWaalsContact O-NE2 3.13Å
299	F	92.6	Very high	91.6	Very high	14 Å²	14	45.9 Å²	45.9	6%	0.061	24%	0.241	C	C	.	.			trans	-107.1	148.8	178.9	-62.3	-26.1	0	0	0	112.9	A294 F297 M302 A317 Q322 G323 A325	A294-F299 CarbonylContact C-O 3.54Å; A294-F299 VanDerWaalsContact C-O 3.23Å; A294-F299 HydrophobicContact CB-CB 4.19Å; A294-F299 VanDerWaalsContact CB-O 3.23Å; A294-F299 WeakPolarHBondContact CB-O 3.4Å; A294-F299 PolarHBondContact O-N 3.33Å; F297-F299 HydrophobicContact CB-CB 4.45Å; F297-F299 HydrophobicContact CB-CD2 3.5Å; F297-F299 HydrophobicContact CB-CE2 3.85Å; F297-F299 HydrophobicContact CB-CG 3.95Å; F297-F299 HydrophobicContact CG-CD2 4.34Å; F297-F299 WeakPolarHBondContact O-CD1 3.19Å; F297-F299 PolarHBondContact O-N 3.1Å; F299-M302 HydrophobicContact CD2-CG 4.06Å; F299-A317 HydrophobicContact CE2-CB 4.23Å; F299-Q322 HydrophobicContact CD1-CB 3.49Å; F299-Q322 VanDerWaalsContact CD1-CB 3.49Å; F299-Q322 HydrophobicContact CD1-CG 4.27Å; F299-Q322 HydrophobicContact CE1-CB 3.53Å; F299-G323 VanDerWaalsContact CZ-O 3.3Å; F299-G323 WeakPolarHBondContact CZ-O 3.28Å; F299-A325 HydrophobicContact CE1-CB 3.88Å; F299-A325 HydrophobicContact CE2-CB 3.82Å; F299-A325 HydrophobicContact CZ-CB 3.32Å
300	D	90.8	Very high	91.8	Very high	117 Å²	117	43.9 Å²	43.9	63%	0.626	23%	0.228	S	C	*	.	S	Bend	trans	-76.4	-35.5	170.8	-71.9	-35.4	0	0	0	111.5
301	W	89.1	Confident	91.9	Very high	104 Å²	104	41.6 Å²	41.6	39%	0.394	22%	0.22	S	C	.	.	S	Bend	trans	-155.6	159.2	177.6	61.1	-80.5	0	0	0	109.9	S319 D320	W301-S319 WeakPolarHBondContact O-CB 3.14Å; W301-D320 HydrophobicContact CH2-CB 3.74Å; W301-D320 WeakPolarHBondContact CH2-OD2 3.39Å; W301-D320 HydrophobicContact CZ2-CB 4.24Å
302	M	92.3	Very high	91.5	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.039	22%	0.218	C	C	.	.			trans	-114.8	137.3	-180	-69.1	172.6	-70.8	0	0	109.9	L264 I271 A294 F297 F299 A317	L264-M302 HydrophobicContact CD1-CB 4.46Å; L264-M302 HydrophobicContact CD2-CB 4.32Å; I271-M302 HydrophobicContact CD1-CE 4.32Å; I271-M302 HydrophobicContact CD1-SD 3.66Å; I271-M302 HydrophobicContact CG1-CE 3.79Å; I271-M302 HydrophobicContact CG1-SD 3.75Å; A294-M302 HydrophobicContact CB-CE 3.9Å; A294-M302 HydrophobicContact CB-CG 4.11Å; A294-M302 HydrophobicContact CB-SD 4.39Å; F297-M302 HydrophobicContact CD2-SD 3.77Å; F297-M302 HydrophobicContact CE2-SD 3.85Å; F299-M302 HydrophobicContact CD2-CG 4.06Å; M302-A317 HydrophobicContact CG-CB 4.12Å; M302-A317 HydrophobicContact SD-CB 3.76Å
303	S	92.9	Very high	91	Very high	11 Å²	11	42.8 Å²	42.8	8%	0.077	22%	0.222	C	C	.	.	S	Bend	trans	-96.2	-24.8	175.5	58.8	0	0	0	0	112.6	S2 V249 A318 D320	S2-S303 PolarHBondContact OG-OG 3.5Å; V249-S303 VanDerWaalsContact CG1-O 3.26Å; V249-S303 WeakPolarHBondContact CG1-O 3.48Å; S303-A318 PolarHBondContact N-O 2.89Å; S303-A318 PolarHBondContact OG-O 2.87Å; S303-A318 VanDerWaalsContact OG-O 3.07Å; S303-D320 WeakPolarHBondContact CB-OD1 3.38Å; S303-D320 PolarHBondContact OG-OD1 2.78Å
304	T	94.6	Very high	90.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	174.4	179.3	-171.7	0	0	0	0	111.5	N3 L4 A317 A318	N3-T304 WeakPolarHBondContact CA-OG1 3.34Å; N3-T304 PolarHBondContact OD1-OG1 2.83Å; L4-T304 HydrophobicContact CB-CG2 3.56Å; L4-T304 PolarHBondContact N-OG1 3.38Å; T304-A317 WeakPolarHBondContact O-CA 3.42Å; T304-A318 HydrophobicContact CG2-CB 3.68Å; T304-A318 PolarHBondContact N-O 2.94Å; T304-A318 PolarHBondContact O-N 2.84Å
305	F	95.8	Very high	90.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	164.5	176.5	74.6	-84.3	0	0	0	112.4	K250 A252 A262 L264 I271 V315 A316	K250-F305 HydrophobicContact CB-CE1 4.04Å; K250-F305 HydrophobicContact CD-CE1 4.37Å; K250-F305 WeakPolarHBondContact CD-O 3.4Å; K250-F305 VanDerWaalsContact CE-O 3.31Å; K250-F305 WeakPolarHBondContact CE-O 3.27Å; K250-F305 HydrophobicContact CG-CE1 4.1Å; K250-F305 HydrophobicContact CG-CZ 4.43Å; K250-F305 PolarHBondContact NZ-O 2.8Å; A252-F305 HydrophobicContact CB-CE2 4.06Å; A252-F305 HydrophobicContact CB-CZ 4.21Å; A262-F305 HydrophobicContact CB-CD2 4.29Å; A262-F305 HydrophobicContact CB-CE2 3.43Å; A262-F305 VanDerWaalsContact CB-CE2 3.43Å; A262-F305 HydrophobicContact CB-CZ 3.6Å; A262-F305 WeakPolarHBondContact O-CZ 3.23Å; L264-F305 HydrophobicContact CB-CD1 3.85Å; L264-F305 HydrophobicContact CB-CE1 3.89Å; I271-F305 HydrophobicContact CD1-CB 3.56Å; I271-F305 HydrophobicContact CD1-CG 4.06Å; I271-F305 HydrophobicContact CG1-CB 4.19Å; I271-F305 HydrophobicContact CG1-CD1 4.32Å; I271-F305 HydrophobicContact CG1-CG 4.3Å; I271-F305 HydrophobicContact CG2-CD1 4.26Å; I271-F305 HydrophobicContact CG2-CD2 4.44Å; I271-F305 HydrophobicContact CG2-CE1 4.43Å; I271-F305 HydrophobicContact CG2-CG 4.28Å; F305-V315 HydrophobicContact CB-CG1 4.34Å; F305-V315 HydrophobicContact CD2-CG1 4.37Å; F305-A316 CarbonylContact C-O 3.58Å; F305-A316 WeakPolarHBondContact CA-O 3.44Å; F305-A316 VanDerWaalsContact CB-O 3.31Å; F305-A316 WeakPolarHBondContact CB-O 3.49Å
306	S	95	Very high	90.8	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143.3	171.8	-164.5	0	0	0	0	110.7	L4 A316	L4-S306 WeakPolarHBondContact O-CB 3.18Å; S306-A316 PolarHBondContact N-O 3.39Å; S306-A316 PolarHBondContact O-N 2.88Å
307	W	93.8	Very high	91	Very high	11 Å²	11	34.8 Å²	34.8	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	151.9	168.9	-64.1	108.1	0	0	0	110.6	A252 W253 N254 P255 A262 T273 V315 Y329	A252-W307 PolarHBondContact O-NE1 3.05Å; W253-W307 PolarHBondContact O-NE1 3.26Å; N254-W307 HydrophobicContact CB-CD2 4.02Å; N254-W307 HydrophobicContact CB-CE3 4.29Å; N254-W307 HydrophobicContact CB-CH2 4.18Å; N254-W307 HydrophobicContact CB-CZ2 3.82Å; N254-W307 HydrophobicContact CB-CZ3 4.39Å; N254-W307 VanDerWaalsContact ND2-CE3 3.34Å; N254-W307 WeakPolarHBondContact ND2-CH2 3.33Å; N254-W307 WeakPolarHBondContact ND2-CZ3 3.47Å; P255-W307 HydrophobicContact CG-CB 3.8Å; A262-W307 HydrophobicContact CB-CH2 4.15Å; A262-W307 HydrophobicContact CB-CZ2 3.3Å; T273-W307 HydrophobicContact CG2-CH2 4.26Å; W307-V315 HydrophobicContact CD2-CG2 4.35Å; W307-V315 HydrophobicContact CE3-CG2 3.42Å; W307-V315 VanDerWaalsContact CE3-CG2 3.42Å; W307-V315 HydrophobicContact CH2-CG2 4.08Å; W307-V315 HydrophobicContact CZ3-CG2 3.23Å; W307-Y329 HydrophobicContact CH2-CD1 4.27Å; W307-Y329 HydrophobicContact CH2-CE1 4.23Å; W307-Y329 HydrophobicContact CH2-CG 4.49Å; W307-Y329 AromaticContact CZ3-CD1 3.96Å; W307-Y329 HydrophobicContact CZ3-CD1 3.96Å; W307-Y329 HydrophobicContact CZ3-CE1 4.34Å; W307-Y329 HydrophobicContact CZ3-CG 4.18Å
308	L	92.2	Very high	91.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.			trans	-112	95	178.5	-68	178	0	0	0	110.3	D14 L16 V29 S310 F311 A316 I326	D14-L308 HydrophobicContact CB-CD2 3.83Å; D14-L308 VanDerWaalsContact OD2-CA 3.24Å; D14-L308 WeakPolarHBondContact OD2-CA 3.22Å; D14-L308 WeakPolarHBondContact OD2-CB 3.31Å; L16-L308 HydrophobicContact CD1-CD2 4.04Å; L16-L308 HydrophobicContact CD2-CD2 3.97Å; L16-L308 HydrophobicContact CG-CD2 4.19Å; V29-L308 HydrophobicContact CG1-CD1 4.28Å; V29-L308 HydrophobicContact CG2-CD2 4.26Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3Å; L308-F311 HydrophobicContact CB-CB 4Å; L308-F311 HydrophobicContact CB-CD2 4.2Å; L308-F311 HydrophobicContact CD1-CB 4.45Å; L308-F311 HydrophobicContact CD1-CD2 4.3Å; L308-F311 CarbonylContact O-C 3.58Å; L308-F311 PolarHBondContact O-N 3.24Å; L308-F311 VanDerWaalsContact O-O 3.11Å; L308-A316 HydrophobicContact CD1-CB 4.42Å; L308-A316 HydrophobicContact CD2-CB 4.31Å; L308-A316 HydrophobicContact CG-CB 4.34Å; L308-I326 HydrophobicContact CD1-CB 4.41Å; L308-I326 HydrophobicContact CD1-CD1 4.46Å; L308-I326 HydrophobicContact CD1-CG2 4.15Å
309	P	90.5	Very high	91.1	Very high	30 Å²	30	27.8 Å²	27.8	20%	0.195	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31	-173.7	-15.2	25	0	0	0	114.1	L6 D14 P255 N256 F311	L6-P309 VanDerWaalsContact CD2-CD 3.44Å; L6-P309 HydrophobicContact CD2-CG 3.3Å; D14-P309 WeakPolarHBondContact OD2-CD 3.32Å; P255-P309 HydrophobicContact CB-CB 4.12Å; P255-P309 HydrophobicContact CB-CG 4.1Å; P255-P309 HydrophobicContact CG-CB 3.94Å; P255-P309 HydrophobicContact CG-CG 3.74Å; N256-P309 PolarHBondContact ND2-O 3.4Å; N256-P309 WeakPolarHBondContact OD1-CA 3.32Å; P309-F311 VanDerWaalsContact C-N 3.28Å
310	S	89.2	Confident	90.7	Very high	33 Å²	33	31.1 Å²	31.1	23%	0.231	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-24.5	177	-58.8	0	0	0	0	112	S9 S10 D14 L308	S9-S310 PolarHBondContact OG-OG 2.99Å; S10-S310 PolarHBondContact O-OG 3.03Å; D14-S310 WeakPolarHBondContact OD1-CB 3.38Å; D14-S310 PolarHBondContact OD1-N 3.45Å; D14-S310 PolarHBondContact OD1-OG 3.45Å; D14-S310 WeakPolarHBondContact OD2-CB 3.17Å; D14-S310 PolarHBondContact OD2-N 3.03Å; D14-S310 VanDerWaalsContact OD2-N 3.08Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3Å
311	F	87.4	Confident	90.4	Very high	22 Å²	22	29.8 Å²	29.8	10%	0.096	15%	0.148	C	C	.	.	S	Bend	trans	-117	73.4	-177.8	-54.1	-74.2	0	0	0	110.3	G12 D14 V29 K31 L36 L308 P309 D313 Y314	G12-F311 WeakPolarHBondContact O-CZ 3.44Å; D14-F311 HydrophobicContact CB-CD2 4.35Å; D14-F311 HydrophobicContact CB-CE2 4.19Å; D14-F311 WeakPolarHBondContact OD2-CD2 3.08Å; V29-F311 HydrophobicContact CB-CE2 4.09Å; V29-F311 HydrophobicContact CG1-CD2 4.03Å; V29-F311 HydrophobicContact CG1-CE2 3.65Å; V29-F311 HydrophobicContact CG1-CZ 4.29Å; V29-F311 WeakPolarHBondContact O-CE2 3.33Å; K31-F311 HydrophobicContact CB-CE1 4.46Å; L36-F311 HydrophobicContact CD1-CB 4.27Å; L36-F311 HydrophobicContact CD1-CD1 3.86Å; L36-F311 HydrophobicContact CD1-CE1 4.43Å; L36-F311 HydrophobicContact CD1-CG 4.1Å; L36-F311 HydrophobicContact CD2-CD1 3.49Å; L36-F311 VanDerWaalsContact CD2-CD1 3.49Å; L36-F311 HydrophobicContact CD2-CE1 3.2Å; L36-F311 HydrophobicContact CD2-CE2 4.28Å; L36-F311 HydrophobicContact CD2-CG 4.15Å; L36-F311 HydrophobicContact CD2-CZ 3.62Å; L36-F311 HydrophobicContact CG-CD1 4.37Å; L36-F311 HydrophobicContact CG-CE1 4.46Å; L308-F311 HydrophobicContact CB-CB 4Å; L308-F311 HydrophobicContact CB-CD2 4.2Å; L308-F311 HydrophobicContact CD1-CB 4.45Å; L308-F311 HydrophobicContact CD1-CD2 4.3Å; L308-F311 CarbonylContact O-C 3.58Å; L308-F311 PolarHBondContact O-N 3.24Å; L308-F311 VanDerWaalsContact O-O 3.11Å; P309-F311 VanDerWaalsContact C-N 3.28Å; F311-D313 PolarHBondContact O-N 3.07Å; F311-Y314 HydrophobicContact CB-CD2 3.96Å; F311-Y314 HydrophobicContact CB-CG 4.31Å; F311-Y314 PolarHBondContact O-N 3.26Å
312	R	80.1	Confident	90.3	Very high	135 Å²	135	28.4 Å²	28.4	51%	0.509	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.4	-37	-170	-61.6	-179.7	178.2	-151.2	-8	117.5	N256	N256-R312 HydrophobicContact CB-CB 4.35Å; N256-R312 HydrophobicContact CB-CG 4.31Å
313	D	81.1	Confident	90.1	Very high	22 Å²	22	29 Å²	29	12%	0.118	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	14.5	-176.6	-68.6	-16.5	0	0	0	112.5	F311 R328 Y329 Q331	F311-D313 PolarHBondContact O-N 3.07Å; D313-R328 HydrophobicContact CB-CG 4.06Å; D313-R328 CarbonylContact O-C 3.47Å; D313-R328 VanDerWaalsContact O-CA 3.23Å; D313-R328 WeakPolarHBondContact O-CA 3.23Å; D313-R328 WeakPolarHBondContact O-CG 3.19Å; D313-R328 IonicContact OD2-CZ 2.9Å; D313-R328 IonicContact OD2-NE 2.7Å; D313-R328 IonicContact OD2-NH2 3.23Å; D313-R328 PolarHBondContact OD2-NH2 2.61Å; D313-R328 VanDerWaalsContact OD2-NH2 3.07Å; D313-Y329 CarbonylContact O-C 3.57Å; D313-Y329 WeakPolarHBondContact O-CA 3.22Å; D313-Y329 PolarHBondContact O-N 3.39Å; D313-Q331 PolarHBondContact OD1-NE2 3.41Å; D313-Q331 VanDerWaalsContact OD1-NE2 3.1Å
314	Y	88.6	Confident	90	Very high	66 Å²	66	29.2 Å²	29.2	26%	0.259	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.9	-176	-69.3	-95.7	0	0	0	112.2	L36 F311 C327 R328	L36-Y314 HydrophobicContact CD1-CD1 3.66Å; L36-Y314 HydrophobicContact CD1-CD2 3.48Å; L36-Y314 VanDerWaalsContact CD1-CD2 3.48Å; L36-Y314 HydrophobicContact CD1-CE1 3.61Å; L36-Y314 HydrophobicContact CD1-CE2 3.41Å; L36-Y314 VanDerWaalsContact CD1-CE2 3.41Å; L36-Y314 HydrophobicContact CD1-CG 3.6Å; L36-Y314 VanDerWaalsContact CD1-CZ 3.48Å; F311-Y314 HydrophobicContact CB-CD2 3.96Å; F311-Y314 HydrophobicContact CB-CG 4.31Å; F311-Y314 PolarHBondContact O-N 3.26Å; Y314-C327 WeakPolarHBondContact CA-O 3.07Å; Y314-R328 HydrophobicContact CD1-CB 4.13Å; Y314-R328 HydrophobicContact CE1-CB 3.75Å; Y314-R328 HydrophobicContact CE1-CG 4.24Å; Y314-R328 HydrophobicContact CE2-CG 4.37Å
315	V	92.7	Very high	89.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.3	174.1	177.3	0	0	0	0	107.1	I271 L292 F297 F305 W307 I326 C327 Y329	I271-V315 HydrophobicContact CD1-CG1 4.1Å; L292-V315 HydrophobicContact CD1-CB 4.16Å; L292-V315 HydrophobicContact CD1-CG1 4.39Å; L292-V315 HydrophobicContact CD1-CG2 3.92Å; F297-V315 WeakPolarHBondContact CE1-O 3.44Å; F297-V315 HydrophobicContact CZ-CB 4.38Å; F297-V315 HydrophobicContact CZ-CG1 4.27Å; F305-V315 HydrophobicContact CB-CG1 4.34Å; F305-V315 HydrophobicContact CD2-CG1 4.37Å; W307-V315 HydrophobicContact CD2-CG2 4.35Å; W307-V315 HydrophobicContact CE3-CG2 3.42Å; W307-V315 VanDerWaalsContact CE3-CG2 3.42Å; W307-V315 HydrophobicContact CH2-CG2 4.08Å; W307-V315 HydrophobicContact CZ3-CG2 3.23Å; V315-I326 CarbonylContact O-C 3.49Å; V315-I326 VanDerWaalsContact O-CA 3.27Å; V315-I326 WeakPolarHBondContact O-CA 3.49Å; V315-C327 PolarHBondContact N-O 3.46Å; V315-C327 PolarHBondContact O-N 3.32Å; V315-Y329 HydrophobicContact CG2-CG 4.45Å
316	A	94.5	Very high	89.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.7	167.4	0	0	0	0	0	110	L4 L16 F305 S306 L308 A325 I326	L4-A316 HydrophobicContact CD2-CB 3.69Å; L16-A316 HydrophobicContact CD1-CB 3.42Å; L16-A316 VanDerWaalsContact CD1-CB 3.42Å; F305-A316 CarbonylContact C-O 3.58Å; F305-A316 WeakPolarHBondContact CA-O 3.44Å; F305-A316 VanDerWaalsContact CB-O 3.31Å; F305-A316 WeakPolarHBondContact CB-O 3.49Å; S306-A316 PolarHBondContact N-O 3.39Å; S306-A316 PolarHBondContact O-N 2.88Å; L308-A316 HydrophobicContact CD1-CB 4.42Å; L308-A316 HydrophobicContact CD2-CB 4.31Å; L308-A316 HydrophobicContact CG-CB 4.34Å; A316-A325 WeakPolarHBondContact CA-O 3.5Å; A316-I326 HydrophobicContact CB-CG2 3.64Å
317	A	94.8	Very high	89.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.2	171.9	0	0	0	0	0	109.5	I271 F297 F299 M302 T304 V324 A325	I271-A317 HydrophobicContact CD1-CB 4.14Å; F297-A317 HydrophobicContact CD1-CB 3.58Å; F297-A317 HydrophobicContact CD2-CB 4.18Å; F297-A317 HydrophobicContact CE1-CB 3.47Å; F297-A317 VanDerWaalsContact CE1-CB 3.47Å; F297-A317 HydrophobicContact CE2-CB 4.11Å; F297-A317 HydrophobicContact CG-CB 3.93Å; F297-A317 HydrophobicContact CZ-CB 3.76Å; F299-A317 HydrophobicContact CE2-CB 4.23Å; M302-A317 HydrophobicContact CG-CB 4.12Å; M302-A317 HydrophobicContact SD-CB 3.76Å; T304-A317 WeakPolarHBondContact O-CA 3.42Å; A317-V324 WeakPolarHBondContact O-CA 3.4Å; A317-A325 PolarHBondContact N-O 3.26Å; A317-A325 PolarHBondContact O-N 3.43Å
318	A	93.4	Very high	89	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.7	171.7	0	0	0	0	0	110.9	L4 S303 T304 G323 V324	L4-A318 HydrophobicContact CD2-CB 4.48Å; S303-A318 PolarHBondContact N-O 2.89Å; S303-A318 PolarHBondContact OG-O 2.87Å; S303-A318 VanDerWaalsContact OG-O 3.07Å; T304-A318 HydrophobicContact CG2-CB 3.68Å; T304-A318 PolarHBondContact N-O 2.94Å; T304-A318 PolarHBondContact O-N 2.84Å; A318-G323 CarbonylContact C-O 3.57Å; A318-G323 VanDerWaalsContact CA-O 3.26Å; A318-G323 WeakPolarHBondContact CA-O 3.47Å; A318-V324 HydrophobicContact CB-CG2 3.9Å
319	S	91	Very high	88.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.7	168.9	166.8	0	0	0	0	107.8	W301 S321 Q322 G323	W301-S319 WeakPolarHBondContact O-CB 3.14Å; S319-S321 PolarHBondContact O-N 3.36Å; S319-S321 VanDerWaalsContact O-N 3.12Å; S319-S321 PolarHBondContact OG-N 3.09Å; S319-S321 PolarHBondContact OG-OG 2.73Å; S319-Q322 PolarHBondContact O-N 3.02Å; S319-Q322 PolarHBondContact OG-N 3.34Å; S319-Q322 PolarHBondContact OG-OE1 3.36Å; S319-G323 PolarHBondContact N-O 3.31Å; S319-G323 PolarHBondContact O-N 3.36Å
320	D	85.2	Confident	87.3	Confident	83 Å²	83	37.8 Å²	37.8	44%	0.444	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.1	-176.8	-63.1	-14.7	0	0	0	112.6	S2 W301 S303	S2-D320 WeakPolarHBondContact CB-OD1 3.17Å; S2-D320 PolarHBondContact OG-OD1 3.43Å; W301-D320 HydrophobicContact CH2-CB 3.74Å; W301-D320 WeakPolarHBondContact CH2-OD2 3.39Å; W301-D320 HydrophobicContact CZ2-CB 4.24Å; S303-D320 WeakPolarHBondContact CB-OD1 3.38Å; S303-D320 PolarHBondContact OG-OD1 2.78Å
321	S	84.8	Confident	85.9	Confident	89 Å²	89	38 Å²	38	62%	0.622	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-27.8	178.9	55	0	0	0	0	113.8	S319	S319-S321 PolarHBondContact O-N 3.36Å; S319-S321 VanDerWaalsContact O-N 3.12Å; S319-S321 PolarHBondContact OG-N 3.09Å; S319-S321 PolarHBondContact OG-OG 2.73Å
322	Q	86.6	Confident	84.6	Confident	76 Å²	76	40 Å²	40	36%	0.355	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-0.1	-171.5	-56.5	171.3	-78.4	0	0	113.6	N298 F299 S319	N298-Q322 PolarHBondContact O-NE2 2.93Å; N298-Q322 VanDerWaalsContact O-NE2 3.13Å; F299-Q322 HydrophobicContact CD1-CB 3.49Å; F299-Q322 VanDerWaalsContact CD1-CB 3.49Å; F299-Q322 HydrophobicContact CD1-CG 4.27Å; F299-Q322 HydrophobicContact CE1-CB 3.53Å; S319-Q322 PolarHBondContact O-N 3.02Å; S319-Q322 PolarHBondContact OG-N 3.34Å; S319-Q322 PolarHBondContact OG-OE1 3.36Å
323	G	87.8	Confident	83.8	Confident	20 Å²	20	37.6 Å²	37.6	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.2	-152.3	176.1	0	0	0	0	0	113.6	F299 A318 S319	F299-G323 VanDerWaalsContact CZ-O 3.3Å; F299-G323 WeakPolarHBondContact CZ-O 3.28Å; A318-G323 CarbonylContact C-O 3.57Å; A318-G323 VanDerWaalsContact CA-O 3.26Å; A318-G323 WeakPolarHBondContact CA-O 3.47Å; S319-G323 PolarHBondContact N-O 3.31Å; S319-G323 PolarHBondContact O-N 3.36Å
324	V	91.9	Very high	83.2	Confident	16 Å²	16	43 Å²	43	10%	0.097	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134	179.5	179.7	0	0	0	0	109.5	L4 L16 H18 Y27 P38 A317 A318	L4-V324 HydrophobicContact CD1-CG1 4.28Å; L4-V324 HydrophobicContact CD1-CG2 3.9Å; L4-V324 HydrophobicContact CD2-CG1 4.23Å; L16-V324 HydrophobicContact CD1-CG1 4.31Å; H18-V324 HydrophobicContact CB-CG2 3.88Å; Y27-V324 HydrophobicContact CD1-CB 4.2Å; Y27-V324 HydrophobicContact CD1-CG2 4.41Å; Y27-V324 HydrophobicContact CD2-CB 4.35Å; Y27-V324 HydrophobicContact CD2-CG2 3.73Å; Y27-V324 HydrophobicContact CE1-CB 4.03Å; Y27-V324 HydrophobicContact CE1-CG2 4.12Å; Y27-V324 HydrophobicContact CE2-CB 4.19Å; Y27-V324 HydrophobicContact CE2-CG2 3.39Å; Y27-V324 HydrophobicContact CG-CB 4.33Å; Y27-V324 HydrophobicContact CG-CG2 4.22Å; P38-V324 HydrophobicContact CB-CG1 4.26Å; P38-V324 HydrophobicContact CG-CB 4.39Å; P38-V324 HydrophobicContact CG-CG1 4.21Å; P38-V324 WeakPolarHBondContact CG-O 3.43Å; A317-V324 WeakPolarHBondContact O-CA 3.4Å; A318-V324 HydrophobicContact CB-CG2 3.9Å
325	A	92.4	Very high	82.9	Confident	19 Å²	19	45.4 Å²	45.4	16%	0.157	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.9	173.5	0	0	0	0	0	109.3	F297 F299 A316 A317	F297-A325 HydrophobicContact CB-CB 4.12Å; F297-A325 HydrophobicContact CD1-CB 4.31Å; F297-A325 WeakPolarHBondContact CD1-O 3.36Å; F297-A325 WeakPolarHBondContact O-CB 3.24Å; F299-A325 HydrophobicContact CE1-CB 3.88Å; F299-A325 HydrophobicContact CE2-CB 3.82Å; F299-A325 HydrophobicContact CZ-CB 3.32Å; A316-A325 WeakPolarHBondContact CA-O 3.5Å; A317-A325 PolarHBondContact N-O 3.26Å; A317-A325 PolarHBondContact O-N 3.43Å
326	I	92	Very high	82.4	Confident	25 Å²	25	49.3 Å²	49.3	13%	0.128	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.5	-178.7	66.5	171.8	0	0	0	110.3	V29 L36 L308 V315 A316	V29-I326 HydrophobicContact CG1-CD1 3.8Å; L36-I326 HydrophobicContact CB-CD1 3.12Å; L36-I326 HydrophobicContact CB-CG1 4.28Å; L36-I326 HydrophobicContact CD1-CD1 4.32Å; L36-I326 HydrophobicContact CG-CD1 4.3Å; L36-I326 WeakPolarHBondContact O-CD1 3.25Å; L308-I326 HydrophobicContact CD1-CB 4.41Å; L308-I326 HydrophobicContact CD1-CD1 4.46Å; L308-I326 HydrophobicContact CD1-CG2 4.15Å; V315-I326 CarbonylContact O-C 3.49Å; V315-I326 VanDerWaalsContact O-CA 3.27Å; V315-I326 WeakPolarHBondContact O-CA 3.49Å; A316-I326 HydrophobicContact CB-CG2 3.64Å
327	C	88.6	Confident	82	Confident	14 Å²	14	56 Å²	56	10%	0.095	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.8	-177.8	-176.6	0	0	0	0	110.9	M296 F297 Y314 V315 Y329	M296-C327 HydrophobicContact CB-CB 4.45Å; M296-C327 WeakPolarHBondContact CG-SG 3.46Å; M296-C327 PolarHBondContact SD-SG 3.38Å; F297-C327 HydrophobicContact CD1-CB 3.7Å; F297-C327 HydrophobicContact CD2-CB 4.28Å; F297-C327 HydrophobicContact CE1-CB 3.42Å; F297-C327 VanDerWaalsContact CE1-CB 3.42Å; F297-C327 HydrophobicContact CE2-CB 4.02Å; F297-C327 HydrophobicContact CG-CB 4.14Å; F297-C327 HydrophobicContact CZ-CB 3.59Å; Y314-C327 WeakPolarHBondContact CA-O 3.07Å; V315-C327 PolarHBondContact N-O 3.46Å; V315-C327 PolarHBondContact O-N 3.32Å; C327-Y329 PolarHBondContact O-N 3.14Å
328	R	85	Confident	81.5	Confident	131 Å²	131	57.9 Å²	57.9	49%	0.494	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	116.3	173	-163	176.3	-176.5	175.7	-0.1	110.6	D313 Y314 G330	D313-R328 HydrophobicContact CB-CG 4.06Å; D313-R328 CarbonylContact O-C 3.47Å; D313-R328 VanDerWaalsContact O-CA 3.23Å; D313-R328 WeakPolarHBondContact O-CA 3.23Å; D313-R328 WeakPolarHBondContact O-CG 3.19Å; D313-R328 IonicContact OD2-CZ 2.9Å; D313-R328 IonicContact OD2-NE 2.7Å; D313-R328 IonicContact OD2-NH2 3.23Å; D313-R328 PolarHBondContact OD2-NH2 2.61Å; D313-R328 VanDerWaalsContact OD2-NH2 3.07Å; Y314-R328 HydrophobicContact CD1-CB 4.13Å; Y314-R328 HydrophobicContact CE1-CB 3.75Å; Y314-R328 HydrophobicContact CE1-CG 4.24Å; Y314-R328 HydrophobicContact CE2-CG 4.37Å; R328-G330 PolarHBondContact O-N 3.27Å
329	Y	79.4	Confident	81	Confident	6 Å²	6	59.6 Å²	59.6	2%	0.024	33%	0.328	C	S	.	.			trans	-80.4	88	160.3	178.1	-108.5	0	0	0	109.2	T273 L292 W307 D313 V315 C327	T273-Y329 HydrophobicContact CG2-CD2 4.17Å; T273-Y329 HydrophobicContact CG2-CE2 3.53Å; T273-Y329 WeakPolarHBondContact OG1-CE2 3.21Å; T273-Y329 PolarHBondContact OG1-OH 2.95Å; L292-Y329 HydrophobicContact CD1-CD2 3.83Å; L292-Y329 HydrophobicContact CD1-CG 4.49Å; L292-Y329 HydrophobicContact CD2-CD2 3.99Å; L292-Y329 HydrophobicContact CG-CD2 4.01Å; W307-Y329 HydrophobicContact CH2-CD1 4.27Å; W307-Y329 HydrophobicContact CH2-CE1 4.23Å; W307-Y329 HydrophobicContact CH2-CG 4.49Å; W307-Y329 AromaticContact CZ3-CD1 3.96Å; W307-Y329 HydrophobicContact CZ3-CD1 3.96Å; W307-Y329 HydrophobicContact CZ3-CE1 4.34Å; W307-Y329 HydrophobicContact CZ3-CG 4.18Å; D313-Y329 CarbonylContact O-C 3.57Å; D313-Y329 WeakPolarHBondContact O-CA 3.22Å; D313-Y329 PolarHBondContact O-N 3.39Å; V315-Y329 HydrophobicContact CG2-CG 4.45Å; C327-Y329 PolarHBondContact O-N 3.14Å
330	G	66.5	Low	80.6	Confident	37 Å²	37	64.2 Å²	64.2	38%	0.381	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-61.7	138.3	175.3	0	0	0	0	0	112.3	R328	R328-G330 PolarHBondContact O-N 3.27Å
331	Q	61.2	Low	80.6	Confident	37 Å²	37	61.1 Å²	61.1	17%	0.173	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-66.3	160.3	170.2	-46	-163.2	-0.4	0	0	109	D313 D333	D313-Q331 PolarHBondContact OD1-NE2 3.41Å; D313-Q331 VanDerWaalsContact OD1-NE2 3.1Å; Q331-D333 PolarHBondContact O-N 3.31Å
332	S	59.9	Low	80.8	Confident	65 Å²	65	59.7 Å²	59.7	46%	0.455	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-69.9	116.7	151	-93.4	0	0	0	0	104	R290 L334	R290-S332 VanDerWaalsContact CZ-OG 3.27Å; R290-S332 PolarHBondContact NH1-OG 3.16Å; R290-S332 VanDerWaalsContact NH1-OG 3.13Å; R290-S332 PolarHBondContact NH2-OG 2.93Å; S332-L334 PolarHBondContact O-N 3.04Å
333	D	61.6	Low	80.8	Confident	84 Å²	84	57.5 Å²	57.5	45%	0.449	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-55.6	116.5	161.7	-58.3	-32.7	0	0	0	106	Q331 L335 S346 S347	Q331-D333 PolarHBondContact O-N 3.31Å; D333-L335 VanDerWaalsContact C-N 3.33Å; D333-L335 PolarHBondContact O-N 3.33Å; D333-S346 VanDerWaalsContact CA-O 3.3Å; D333-S346 WeakPolarHBondContact CA-O 3.32Å; D333-S347 WeakPolarHBondContact OD1-CA 3.35Å
334	L	69.4	Low	80.8	Confident	134 Å²	134	59.1 Å²	59.1	70%	0.702	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	102.8	170.9	-73.4	172.4	0	0	0	105.3	S332 F345 S346	S332-L334 PolarHBondContact O-N 3.04Å; L334-F345 VanDerWaalsContact O-CA 3.24Å; L334-F345 WeakPolarHBondContact O-CA 3.48Å; L334-S346 PolarHBondContact O-N 3.38Å
335	L	81.7	Confident	80.4	Confident	118 Å²	118	60.9 Å²	60.9	62%	0.618	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.4	174.7	67.8	95.6	0	0	0	109	D333 L343 L344	D333-L335 VanDerWaalsContact C-N 3.33Å; D333-L335 PolarHBondContact O-N 3.33Å; L335-L343 HydrophobicContact CB-CD1 4.27Å; L335-L344 CarbonylContact C-O 3.57Å; L335-L344 WeakPolarHBondContact CA-O 3.42Å
336	T	83.9	Confident	79.4	Confident	81 Å²	81	60.6 Å²	60.6	50%	0.497	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.2	169.4	-169.5	0	0	0	0	110.1	L344	T336-L344 HydrophobicContact CG2-CB 3.69Å; T336-L344 HydrophobicContact CG2-CD1 3.98Å; T336-L344 HydrophobicContact CG2-CG 4.49Å; T336-L344 PolarHBondContact N-O 3.43Å; T336-L344 PolarHBondContact O-N 3.28Å
337	W	85	Confident	78.1	Confident	141 Å²	141	61.5 Å²	61.5	53%	0.534	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.6	174.5	-69.2	90.8	0	0	0	107.9	E342 L343 F357	W337-E342 WeakPolarHBondContact CA-O 3.13Å; W337-L343 HydrophobicContact CD2-CB 4.3Å; W337-L343 HydrophobicContact CD2-CD1 4Å; W337-L343 HydrophobicContact CE3-CB 4Å; W337-L343 HydrophobicContact CG-CD1 4.39Å; W337-L343 HydrophobicContact CH2-CB 3.95Å; W337-L343 HydrophobicContact CH2-CD1 4.48Å; W337-L343 HydrophobicContact CH2-CD2 4.26Å; W337-L343 HydrophobicContact CH2-CG 4.45Å; W337-L343 HydrophobicContact CZ2-CB 4.22Å; W337-L343 HydrophobicContact CZ2-CD1 3.89Å; W337-L343 HydrophobicContact CZ2-CD2 4.1Å; W337-L343 HydrophobicContact CZ2-CG 4.29Å; W337-L343 HydrophobicContact CZ3-CB 3.83Å; W337-F357 HydrophobicContact CH2-CD2 4.04Å; W337-F357 AromaticContact CH2-CE2 3.43Å; W337-F357 HydrophobicContact CH2-CE2 3.43Å; W337-F357 VanDerWaalsContact CH2-CE2 3.43Å; W337-F357 AromaticContact CH2-CZ 3.82Å; W337-F357 HydrophobicContact CH2-CZ 3.82Å; W337-F357 AromaticContact CZ3-CD2 3.65Å; W337-F357 HydrophobicContact CZ3-CD2 3.65Å; W337-F357 AromaticContact CZ3-CE2 3.44Å; W337-F357 HydrophobicContact CZ3-CE2 3.44Å; W337-F357 VanDerWaalsContact CZ3-CE2 3.44Å; W337-F357 HydrophobicContact CZ3-CZ 4.28Å
338	N	84.4	Confident	76.6	Confident	39 Å²	39	63 Å²	63	21%	0.209	33%	0.332	C	S	.	.			trans	-90.3	164.2	170.1	80.7	3.8	0	0	0	111.1	N340 N341 E342	N338-N340 PolarHBondContact O-N 3.39Å; N338-N340 VanDerWaalsContact OD1-CA 3.32Å; N338-N340 WeakPolarHBondContact OD1-CA 3.44Å; N338-N340 WeakPolarHBondContact OD1-CB 3.29Å; N338-N340 PolarHBondContact OD1-N 3.16Å; N338-N341 PolarHBondContact O-N 2.86Å; N338-N341 PolarHBondContact OD1-N 3.1Å; N338-E342 PolarHBondContact N-O 3.12Å; N338-E342 PolarHBondContact ND2-OE2 3.04Å; N338-E342 VanDerWaalsContact OD1-CB 3.27Å; N338-E342 WeakPolarHBondContact OD1-CB 3.39Å; N338-E342 PolarHBondContact OD1-N 3.13Å
339	P	83.5	Confident	75.3	Confident	37 Å²	37	60.8 Å²	60.8	24%	0.24	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.5	176.3	-27.3	37	0	0	0	114.8	K366 R687 Q689	P339-K366 PolarHBondContact O-NZ 2.95Å; P339-R687 WeakPolarHBondContact CB-O 3.33Å; P339-Q689 HydrophobicContact CB-CG 4.27Å; P339-Q689 HydrophobicContact CG-CG 4.03Å
340	N	82.7	Confident	74.4	Confident	96 Å²	96	67.8 Å²	67.8	51%	0.513	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	16.8	-177.1	-66.5	-28	0	0	0	113.9	N338 E342 K366	N338-N340 PolarHBondContact O-N 3.39Å; N338-N340 VanDerWaalsContact OD1-CA 3.32Å; N338-N340 WeakPolarHBondContact OD1-CA 3.44Å; N338-N340 WeakPolarHBondContact OD1-CB 3.29Å; N338-N340 PolarHBondContact OD1-N 3.16Å; N340-E342 HydrophobicContact CB-CG 4.3Å; N340-E342 PolarHBondContact O-N 3.24Å; N340-K366 PolarHBondContact OD1-NZ 3.35Å
341	N	84.7	Confident	74.5	Confident	18 Å²	18	70.3 Å²	70.3	10%	0.096	37%	0.372	C	S	.	.	S	Bend	trans	61.1	35	-177.7	-52.5	-32.4	0	0	0	112.3	N338 F357 V363	N338-N341 PolarHBondContact O-N 2.86Å; N338-N341 PolarHBondContact OD1-N 3.1Å; N341-F357 WeakPolarHBondContact O-CD2 3.48Å; N341-F357 PolarHBondContact O-N 3.23Å; N341-V363 HydrophobicContact CB-CG2 4.33Å; N341-V363 VanDerWaalsContact ND2-CG2 3.32Å; N341-V363 WeakPolarHBondContact ND2-CG2 3.44Å
342	E	88.1	Confident	75.3	Confident	59 Å²	59	74.8 Å²	74.8	28%	0.276	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.5	171.6	-50	-180	149.5	0	0	109.3	W337 N338 N340 K355 T356	W337-E342 WeakPolarHBondContact CA-O 3.13Å; N338-E342 PolarHBondContact N-O 3.12Å; N338-E342 PolarHBondContact ND2-OE2 3.04Å; N338-E342 VanDerWaalsContact OD1-CB 3.27Å; N338-E342 WeakPolarHBondContact OD1-CB 3.39Å; N338-E342 PolarHBondContact OD1-N 3.13Å; N340-E342 HydrophobicContact CB-CG 4.3Å; N340-E342 PolarHBondContact O-N 3.24Å; E342-K355 WeakPolarHBondContact CA-O 3.45Å; E342-T356 HydrophobicContact CG-CG2 4.17Å
343	L	87.9	Confident	76.4	Confident	31 Å²	31	76.2 Å²	76.2	16%	0.162	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.8	170.2	175.3	63.9	0	0	0	108.3	L335 W337 F345 C354 K355 F357	L335-L343 HydrophobicContact CB-CD1 4.27Å; W337-L343 HydrophobicContact CD2-CB 4.3Å; W337-L343 HydrophobicContact CD2-CD1 4Å; W337-L343 HydrophobicContact CE3-CB 4Å; W337-L343 HydrophobicContact CG-CD1 4.39Å; W337-L343 HydrophobicContact CH2-CB 3.95Å; W337-L343 HydrophobicContact CH2-CD1 4.48Å; W337-L343 HydrophobicContact CH2-CD2 4.26Å; W337-L343 HydrophobicContact CH2-CG 4.45Å; W337-L343 HydrophobicContact CZ2-CB 4.22Å; W337-L343 HydrophobicContact CZ2-CD1 3.89Å; W337-L343 HydrophobicContact CZ2-CD2 4.1Å; W337-L343 HydrophobicContact CZ2-CG 4.29Å; W337-L343 HydrophobicContact CZ3-CB 3.83Å; L343-F345 HydrophobicContact CD2-CD1 4.22Å; L343-F345 HydrophobicContact CG-CD1 4.01Å; L343-C354 CarbonylContact O-C 3.46Å; L343-C354 WeakPolarHBondContact O-CA 3.31Å; L343-K355 PolarHBondContact N-O 3.3Å; L343-K355 PolarHBondContact O-N 3.47Å; L343-F357 HydrophobicContact CB-CE2 3.8Å; L343-F357 HydrophobicContact CD2-CE2 4.47Å
344	L	86.6	Confident	77.6	Confident	54 Å²	54	75.4 Å²	75.4	28%	0.283	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.7	168.5	-72.3	155	0	0	0	108	L335 T336 I352 Q353 C354	L335-L344 CarbonylContact C-O 3.57Å; L335-L344 WeakPolarHBondContact CA-O 3.42Å; T336-L344 HydrophobicContact CG2-CB 3.69Å; T336-L344 HydrophobicContact CG2-CD1 3.98Å; T336-L344 HydrophobicContact CG2-CG 4.49Å; T336-L344 PolarHBondContact N-O 3.43Å; T336-L344 PolarHBondContact O-N 3.28Å; L344-I352 HydrophobicContact CB-CG2 4.44Å; L344-I352 HydrophobicContact CD2-CG2 3.66Å; L344-Q353 CarbonylContact C-O 3.51Å; L344-Q353 WeakPolarHBondContact CA-O 3.35Å; L344-C354 HydrophobicContact CD2-CB 3.87Å
345	F	83.8	Confident	78.4	Confident	53 Å²	53	74.6 Å²	74.6	23%	0.232	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.4	176.8	63.5	-78.3	0	0	0	111	L334 L343 Q353 K355	L334-F345 VanDerWaalsContact O-CA 3.24Å; L334-F345 WeakPolarHBondContact O-CA 3.48Å; L343-F345 HydrophobicContact CD2-CD1 4.22Å; L343-F345 HydrophobicContact CG-CD1 4.01Å; F345-Q353 HydrophobicContact CD1-CB 4.13Å; F345-Q353 HydrophobicContact CD2-CB 4.14Å; F345-Q353 HydrophobicContact CE1-CB 3.68Å; F345-Q353 HydrophobicContact CE2-CB 3.69Å; F345-Q353 HydrophobicContact CE2-CG 4.17Å; F345-Q353 HydrophobicContact CG-CB 4.35Å; F345-Q353 HydrophobicContact CZ-CB 3.44Å; F345-Q353 VanDerWaalsContact CZ-CB 3.44Å; F345-Q353 HydrophobicContact CZ-CG 4.25Å; F345-Q353 PolarHBondContact N-O 3.41Å; F345-Q353 PolarHBondContact O-N 2.95Å; F345-K355 HydrophobicContact CE1-CB 4.25Å
346	S	72.5	Confident	78.8	Confident	13 Å²	13	72.5 Å²	72.5	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112.4	-178.3	155.8	0	0	0	0	108.4	D333 L334 D348 N351	D333-S346 VanDerWaalsContact CA-O 3.3Å; D333-S346 WeakPolarHBondContact CA-O 3.32Å; L334-S346 PolarHBondContact O-N 3.38Å; S346-D348 PolarHBondContact OG-O 2.88Å; S346-N351 WeakPolarHBondContact CA-O 3.02Å
347	S	63.9	Low	78.9	Confident	43 Å²	43	71.5 Å²	71.5	30%	0.301	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-19.9	175.8	58.8	0	0	0	0	112.7	D333	D333-S347 WeakPolarHBondContact OD1-CA 3.35Å
348	D	56.7	Low	78.8	Confident	46 Å²	46	68.9 Å²	68.9	25%	0.246	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161	174.3	68.5	47.9	0	0	0	110	S346 K350 N351	S346-D348 PolarHBondContact OG-O 2.88Å; D348-K350 PolarHBondContact O-N 3.4Å; D348-K350 WeakPolarHBondContact OD1-CA 3.27Å; D348-K350 WeakPolarHBondContact OD1-CB 3.37Å; D348-K350 PolarHBondContact OD1-N 2.85Å; D348-N351 PolarHBondContact O-N 3.43Å; D348-N351 WeakPolarHBondContact OD1-CB 2.96Å; D348-N351 PolarHBondContact OD1-N 3.27Å; D348-N351 PolarHBondContact OD1-ND2 3.36Å; D348-N351 PolarHBondContact OD2-ND2 2.82Å
349	S	58.5	Low	78.8	Confident	85 Å²	85	74.5 Å²	74.5	59%	0.594	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	2.6	-176.9	67.9	0	0	0	0	115
350	K	60.8	Low	79	Confident	153 Å²	153	76 Å²	76	67%	0.665	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-29	-175.4	-67.7	-173.6	171.8	-172.1	0	113.2	D348	D348-K350 PolarHBondContact O-N 3.4Å; D348-K350 WeakPolarHBondContact OD1-CA 3.27Å; D348-K350 WeakPolarHBondContact OD1-CB 3.37Å; D348-K350 PolarHBondContact OD1-N 2.85Å
351	N	67.1	Low	79.5	Confident	90 Å²	90	73.7 Å²	73.7	48%	0.481	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	106.8	-172.3	-65.5	-41	0	0	0	109.7	S346 D348	S346-N351 WeakPolarHBondContact CA-O 3.02Å; D348-N351 PolarHBondContact O-N 3.43Å; D348-N351 WeakPolarHBondContact OD1-CB 2.96Å; D348-N351 PolarHBondContact OD1-N 3.27Å; D348-N351 PolarHBondContact OD1-ND2 3.36Å; D348-N351 PolarHBondContact OD2-ND2 2.82Å
352	I	78.3	Confident	79.8	Confident	130 Å²	130	74.1 Å²	74.1	67%	0.667	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.2	166.1	-59.3	171.8	0	0	0	106.8	L344	L344-I352 HydrophobicContact CB-CG2 4.44Å; L344-I352 HydrophobicContact CD2-CG2 3.66Å
353	Q	82.5	Confident	79.9	Confident	95 Å²	95	72.3 Å²	72.3	44%	0.444	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.9	172	-62	-172	6.1	0	0	109.2	L344 F345	L344-Q353 CarbonylContact C-O 3.51Å; L344-Q353 WeakPolarHBondContact CA-O 3.35Å; F345-Q353 HydrophobicContact CD1-CB 4.13Å; F345-Q353 HydrophobicContact CD2-CB 4.14Å; F345-Q353 HydrophobicContact CE1-CB 3.68Å; F345-Q353 HydrophobicContact CE2-CB 3.69Å; F345-Q353 HydrophobicContact CE2-CG 4.17Å; F345-Q353 HydrophobicContact CG-CB 4.35Å; F345-Q353 HydrophobicContact CZ-CB 3.44Å; F345-Q353 VanDerWaalsContact CZ-CB 3.44Å; F345-Q353 HydrophobicContact CZ-CG 4.25Å; F345-Q353 PolarHBondContact N-O 3.41Å; F345-Q353 PolarHBondContact O-N 2.95Å
354	C	87	Confident	80.1	Confident	68 Å²	68	72.8 Å²	72.8	46%	0.459	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.1	175.9	-174.4	0	0	0	0	108.7	L343 L344	L343-C354 CarbonylContact O-C 3.46Å; L343-C354 WeakPolarHBondContact O-CA 3.31Å; L344-C354 HydrophobicContact CD2-CB 3.87Å
355	K	87.7	Confident	80.5	Confident	117 Å²	117	70.6 Å²	70.6	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116	173.3	-175.1	174.2	-178.2	177.9	0	109.7	E342 L343 F345 F357	E342-K355 WeakPolarHBondContact CA-O 3.45Å; L343-K355 PolarHBondContact N-O 3.3Å; L343-K355 PolarHBondContact O-N 3.47Å; F345-K355 HydrophobicContact CE1-CB 4.25Å; K355-F357 HydrophobicContact CB-CE2 4.42Å; K355-F357 HydrophobicContact CD-CE1 4.35Å; K355-F357 HydrophobicContact CD-CE2 4.32Å; K355-F357 HydrophobicContact CD-CZ 3.89Å; K355-F357 HydrophobicContact CG-CE2 4.13Å; K355-F357 HydrophobicContact CG-CZ 4.19Å
356	T	89.2	Confident	80.9	Confident	73 Å²	73	69 Å²	69	45%	0.448	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.4	173.4	-48.6	0	0	0	0	109.7	E342	E342-T356 HydrophobicContact CG-CG2 4.17Å
357	F	85.3	Confident	81.9	Confident	60 Å²	60	75.4 Å²	75.4	26%	0.263	40%	0.395	S	S	.	.			trans	-100.3	122.9	174.9	-64.6	-97.4	0	0	0	109.1	W337 N341 L343 K355 V363	W337-F357 HydrophobicContact CH2-CD2 4.04Å; W337-F357 AromaticContact CH2-CE2 3.43Å; W337-F357 HydrophobicContact CH2-CE2 3.43Å; W337-F357 VanDerWaalsContact CH2-CE2 3.43Å; W337-F357 AromaticContact CH2-CZ 3.82Å; W337-F357 HydrophobicContact CH2-CZ 3.82Å; W337-F357 AromaticContact CZ3-CD2 3.65Å; W337-F357 HydrophobicContact CZ3-CD2 3.65Å; W337-F357 AromaticContact CZ3-CE2 3.44Å; W337-F357 HydrophobicContact CZ3-CE2 3.44Å; W337-F357 VanDerWaalsContact CZ3-CE2 3.44Å; W337-F357 HydrophobicContact CZ3-CZ 4.28Å; N341-F357 WeakPolarHBondContact O-CD2 3.48Å; N341-F357 PolarHBondContact O-N 3.23Å; L343-F357 HydrophobicContact CB-CE2 3.8Å; L343-F357 HydrophobicContact CD2-CE2 4.47Å; K355-F357 HydrophobicContact CB-CE2 4.42Å; K355-F357 HydrophobicContact CD-CE1 4.35Å; K355-F357 HydrophobicContact CD-CE2 4.32Å; K355-F357 HydrophobicContact CD-CZ 3.89Å; K355-F357 HydrophobicContact CG-CE2 4.13Å; K355-F357 HydrophobicContact CG-CZ 4.19Å; F357-V363 WeakPolarHBondContact O-CG2 3.43Å
358	T	84.8	Confident	83.3	Confident	86 Å²	86	74.4 Å²	74.4	53%	0.528	39%	0.385	S	S	.	.			trans	-108	-31.7	-177.3	53.4	0	0	0	0	113.6
359	D	82.6	Confident	85	Confident	157 Å²	157	72.2 Å²	72.2	84%	0.84	37%	0.374	S	S	*	.	S	Bend	trans	-102.4	12.3	-167.3	-52	-18.8	0	0	0	112.5
360	D	88.8	Confident	86.5	Confident	70 Å²	70	73.5 Å²	73.5	37%	0.374	37%	0.37	S	S	.	.	S	Bend	trans	-88.8	146.1	-177.6	-169.5	-76.5	0	0	0	111.4	S362 V363 V364	D360-S362 PolarHBondContact O-N 2.95Å; D360-S362 VanDerWaalsContact O-N 3.14Å; D360-S362 WeakPolarHBondContact OD1-CB 3.15Å; D360-S362 PolarHBondContact OD1-N 2.77Å; D360-S362 PolarHBondContact OD1-OG 3.41Å; D360-V363 HydrophobicContact CB-CG2 4.22Å; D360-V363 VanDerWaalsContact O-CB 3.31Å; D360-V363 WeakPolarHBondContact O-CB 3.42Å; D360-V363 PolarHBondContact O-N 3.14Å; D360-V364 PolarHBondContact O-N 3.21Å
361	I	92	Very high	88	Confident	47 Å²	47	68.1 Å²	68.1	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-55.4	-31.5	176.2	-174.1	57.2	0	0	0	112.5	V363 V364 M365 D650	I361-V363 VanDerWaalsContact C-N 3.28Å; I361-V363 PolarHBondContact O-N 3.27Å; I361-V364 HydrophobicContact CD1-CB 4.26Å; I361-V364 HydrophobicContact CD1-CG1 4.45Å; I361-V364 PolarHBondContact O-N 2.89Å; I361-M365 HydrophobicContact CD1-CG 4.29Å; I361-M365 HydrophobicContact CG1-CE 4.13Å; I361-M365 HydrophobicContact CG1-CG 4.21Å; I361-M365 HydrophobicContact CG1-SD 4.42Å; I361-M365 HydrophobicContact CG2-CE 4.34Å; I361-M365 WeakPolarHBondContact O-CB 3.29Å; I361-M365 VanDerWaalsContact O-CG 3.29Å; I361-M365 WeakPolarHBondContact O-CG 3.42Å; I361-M365 PolarHBondContact O-N 2.89Å; I361-D650 HydrophobicContact CD1-CB 4.03Å; I361-D650 HydrophobicContact CG1-CB 4.18Å
362	S	90.8	Very high	89	Confident	26 Å²	26	64.4 Å²	64.4	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-35.8	173.4	60.8	0	0	0	0	112.9	D360 K366 W688	D360-S362 PolarHBondContact O-N 2.95Å; D360-S362 VanDerWaalsContact O-N 3.14Å; D360-S362 WeakPolarHBondContact OD1-CB 3.15Å; D360-S362 PolarHBondContact OD1-N 2.77Å; D360-S362 PolarHBondContact OD1-OG 3.41Å; S362-K366 VanDerWaalsContact O-CB 3.31Å; S362-K366 WeakPolarHBondContact O-CB 3.44Å; S362-K366 PolarHBondContact O-N 3.4Å; S362-W688 WeakPolarHBondContact O-CH2 3.16Å; S362-W688 WeakPolarHBondContact O-CZ2 3.28Å
363	V	91.4	Very high	89.6	Confident	22 Å²	22	58.3 Å²	58.3	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-71	-44.3	176.3	-175.8	0	0	0	0	110	N341 F357 D360 I361 K366 R367	N341-V363 HydrophobicContact CB-CG2 4.33Å; N341-V363 VanDerWaalsContact ND2-CG2 3.32Å; N341-V363 WeakPolarHBondContact ND2-CG2 3.44Å; F357-V363 WeakPolarHBondContact O-CG2 3.43Å; D360-V363 HydrophobicContact CB-CG2 4.22Å; D360-V363 VanDerWaalsContact O-CB 3.31Å; D360-V363 WeakPolarHBondContact O-CB 3.42Å; D360-V363 PolarHBondContact O-N 3.14Å; I361-V363 VanDerWaalsContact C-N 3.28Å; I361-V363 PolarHBondContact O-N 3.27Å; V363-K366 PolarHBondContact O-N 3.04Å; V363-R367 WeakPolarHBondContact O-CB 3.39Å; V363-R367 PolarHBondContact O-N 3.07Å
364	V	92.6	Very high	89.5	Confident	41 Å²	41	53.9 Å²	53.9	25%	0.248	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-49.1	176.8	177.2	0	0	0	0	110.1	D360 I361 K366 R367 R368	D360-V364 PolarHBondContact O-N 3.21Å; I361-V364 HydrophobicContact CD1-CB 4.26Å; I361-V364 HydrophobicContact CD1-CG1 4.45Å; I361-V364 PolarHBondContact O-N 2.89Å; V364-K366 PolarHBondContact O-N 3.01Å; V364-R367 PolarHBondContact O-N 2.67Å; V364-R368 HydrophobicContact CG1-CG 4.44Å; V364-R368 WeakPolarHBondContact O-CB 3.49Å; V364-R368 VanDerWaalsContact O-CG 3.32Å; V364-R368 WeakPolarHBondContact O-CG 3.33Å; V364-R368 PolarHBondContact O-N 3.14Å
365	M	94.1	Very high	88.9	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.039	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-43.2	177.7	-73.4	-171.8	-68.4	0	0	112.2	I361 R368 A369 V651 Q652 L684 W688	I361-M365 HydrophobicContact CD1-CG 4.29Å; I361-M365 HydrophobicContact CG1-CE 4.13Å; I361-M365 HydrophobicContact CG1-CG 4.21Å; I361-M365 HydrophobicContact CG1-SD 4.42Å; I361-M365 HydrophobicContact CG2-CE 4.34Å; I361-M365 WeakPolarHBondContact O-CB 3.29Å; I361-M365 VanDerWaalsContact O-CG 3.29Å; I361-M365 WeakPolarHBondContact O-CG 3.42Å; I361-M365 PolarHBondContact O-N 2.89Å; M365-R368 PolarHBondContact O-N 2.88Å; M365-A369 WeakPolarHBondContact O-CB 3.36Å; M365-A369 PolarHBondContact O-N 3.15Å; M365-V651 HydrophobicContact CE-CG1 4.27Å; M365-V651 HydrophobicContact SD-CG1 3.83Å; M365-Q652 VanDerWaalsContact CA-OE1 3.29Å; M365-Q652 HydrophobicContact CB-CB 4.16Å; M365-Q652 HydrophobicContact CG-CB 3.69Å; M365-Q652 PolarHBondContact O-NE2 3.07Å; M365-Q652 PolarHBondContact O-OE1 2.94Å; M365-Q652 HydrophobicContact SD-CB 3.62Å; M365-L684 HydrophobicContact CE-CD2 3.96Å; M365-W688 HydrophobicContact CB-CH2 3.6Å; M365-W688 HydrophobicContact CB-CZ3 4.24Å; M365-W688 HydrophobicContact CE-CH2 4.39Å
366	K	92.8	Very high	87.7	Confident	19 Å²	19	48.6 Å²	48.6	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-46.4	176.7	-173	179.3	179.3	-176.6	0	111.5	P339 N340 S362 V363 V364 A369 Q370 W688 L690	P339-K366 PolarHBondContact O-NZ 2.95Å; N340-K366 PolarHBondContact OD1-NZ 3.35Å; S362-K366 VanDerWaalsContact O-CB 3.31Å; S362-K366 WeakPolarHBondContact O-CB 3.44Å; S362-K366 PolarHBondContact O-N 3.4Å; V363-K366 PolarHBondContact O-N 3.04Å; V364-K366 PolarHBondContact O-N 3.01Å; K366-A369 PolarHBondContact O-N 3.44Å; K366-Q370 WeakPolarHBondContact O-CG 3.4Å; K366-Q370 PolarHBondContact O-N 2.91Å; K366-W688 HydrophobicContact CB-CD2 4.02Å; K366-W688 HydrophobicContact CB-CE3 4.01Å; K366-W688 HydrophobicContact CB-CH2 4.1Å; K366-W688 HydrophobicContact CB-CZ2 4.1Å; K366-W688 HydrophobicContact CB-CZ3 4.05Å; K366-W688 HydrophobicContact CD-CB 4.35Å; K366-W688 HydrophobicContact CD-CD2 4.23Å; K366-W688 HydrophobicContact CD-CG 4Å; K366-W688 HydrophobicContact CG-CD2 4.02Å; K366-W688 HydrophobicContact CG-CE3 4.14Å; K366-W688 HydrophobicContact CG-CG 4.22Å; K366-L690 HydrophobicContact CG-CD1 4.19Å
367	R	92.2	Very high	86.4	Confident	147 Å²	147	50 Å²	50	56%	0.555	27%	0.266	S	S	*	.	H	α-helix	trans	-61.5	-44.2	177.1	-172.8	-172.1	-60	147.4	3.8	111.4	V363 V364 Q370 A371	V363-R367 WeakPolarHBondContact O-CB 3.39Å; V363-R367 PolarHBondContact O-N 3.07Å; V364-R367 PolarHBondContact O-N 2.67Å; R367-Q370 PolarHBondContact O-N 3Å; R367-A371 WeakPolarHBondContact O-CB 3.47Å; R367-A371 PolarHBondContact O-N 3.19Å
368	R	93.3	Very high	85.2	Confident	22 Å²	22	50.3 Å²	50.3	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-47.7	174.7	-78.4	177.9	-177.3	169.3	1.8	111.1	V364 M365 Q370 A371 G372 Y373 D650 Q652	V364-R368 HydrophobicContact CG1-CG 4.44Å; V364-R368 WeakPolarHBondContact O-CB 3.49Å; V364-R368 VanDerWaalsContact O-CG 3.32Å; V364-R368 WeakPolarHBondContact O-CG 3.33Å; V364-R368 PolarHBondContact O-N 3.14Å; M365-R368 PolarHBondContact O-N 2.88Å; R368-Q370 PolarHBondContact O-N 3.37Å; R368-A371 CarbonylContact O-C 3.57Å; R368-A371 PolarHBondContact O-N 3.01Å; R368-A371 VanDerWaalsContact O-N 3.11Å; R368-G372 PolarHBondContact O-N 2.87Å; R368-Y373 VanDerWaalsContact C-CB 3.44Å; R368-Y373 HydrophobicContact CB-CD1 4.25Å; R368-Y373 HydrophobicContact CB-CG 3.96Å; R368-Y373 HydrophobicContact CG-CG 4.46Å; R368-Y373 WeakPolarHBondContact O-CB 3.38Å; R368-Y373 PolarHBondContact O-N 3.5Å; R368-D650 IonicContact NH1-OD2 3.24Å; R368-D650 PolarHBondContact NH1-OD2 3.12Å; R368-D650 VanDerWaalsContact NH1-OD2 3.15Å; R368-Q652 VanDerWaalsContact CB-OE1 3.25Å
369	A	92.3	Very high	84.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-47.1	178.9	0	0	0	0	0	111.7	M365 K366 A371 G372 L685 L690	M365-A369 WeakPolarHBondContact O-CB 3.36Å; M365-A369 PolarHBondContact O-N 3.15Å; K366-A369 PolarHBondContact O-N 3.44Å; A369-A371 PolarHBondContact O-N 2.92Å; A369-G372 PolarHBondContact O-N 3.05Å; A369-L685 HydrophobicContact CB-CD2 3.94Å; A369-L690 HydrophobicContact CB-CD1 3.77Å
370	Q	91.5	Very high	84.1	Confident	112 Å²	112	43.7 Å²	43.7	52%	0.523	25%	0.25	S	C	.	.	H	α-helix	trans	-61.4	-29.7	175.9	-71	175.4	-32.2	0	0	113.1	K366 R367 R368 G372 L690	K366-Q370 WeakPolarHBondContact O-CG 3.4Å; K366-Q370 PolarHBondContact O-N 2.91Å; R367-Q370 PolarHBondContact O-N 3Å; R368-Q370 PolarHBondContact O-N 3.37Å; Q370-G372 VanDerWaalsContact C-N 3.26Å; Q370-G372 PolarHBondContact O-N 3.3Å; Q370-L690 HydrophobicContact CG-CD1 4.15Å; Q370-L690 HydrophobicContact CG-CD2 3.83Å
371	A	91.3	Very high	83.9	Confident	39 Å²	39	40.4 Å²	40.4	32%	0.322	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.4	175.6	0	0	0	0	0	113.8	R367 R368 A369 R383 L387	R367-A371 WeakPolarHBondContact O-CB 3.47Å; R367-A371 PolarHBondContact O-N 3.19Å; R368-A371 CarbonylContact O-C 3.57Å; R368-A371 PolarHBondContact O-N 3.01Å; R368-A371 VanDerWaalsContact O-N 3.11Å; A369-A371 PolarHBondContact O-N 2.92Å; A371-R383 PolarHBondContact O-NH2 2.95Å; A371-L387 HydrophobicContact CB-CD1 4.12Å; A371-L387 HydrophobicContact CB-CD2 3.56Å
372	G	89	Confident	83.4	Confident	13 Å²	13	40.2 Å²	40.2	13%	0.134	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	19.5	179.3	0	0	0	0	0	114.8	R368 A369 Q370 G374 L375	R368-G372 PolarHBondContact O-N 2.87Å; A369-G372 PolarHBondContact O-N 3.05Å; Q370-G372 VanDerWaalsContact C-N 3.26Å; Q370-G372 PolarHBondContact O-N 3.3Å; G372-G374 PolarHBondContact O-N 3.23Å; G372-L375 PolarHBondContact O-N 3.46Å
373	Y	90.7	Very high	83.3	Confident	1 Å²	1	44 Å²	44	0%	0.004	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	127.5	179.1	-174.4	-99.6	0	0	0	112.5	R368 L375 H384 L387 C388 W398 Q652 T653	R368-Y373 VanDerWaalsContact C-CB 3.44Å; R368-Y373 HydrophobicContact CB-CD1 4.25Å; R368-Y373 HydrophobicContact CB-CG 3.96Å; R368-Y373 HydrophobicContact CG-CG 4.46Å; R368-Y373 WeakPolarHBondContact O-CB 3.38Å; R368-Y373 PolarHBondContact O-N 3.5Å; Y373-L375 PolarHBondContact O-N 3.14Å; Y373-H384 HydrophobicContact CD2-CB 3.99Å; Y373-H384 AromaticContact CD2-CD2 3.81Å; Y373-H384 HydrophobicContact CE2-CB 3.84Å; Y373-L387 HydrophobicContact CD2-CB 4.27Å; Y373-L387 HydrophobicContact CD2-CD1 4.24Å; Y373-C388 WeakPolarHBondContact CE2-SG 3.13Å; Y373-W398 HydrophobicContact CE1-CZ2 4.22Å; Y373-W398 AromaticContact CE2-CE2 3.7Å; Y373-W398 AromaticContact CE2-CZ2 3.83Å; Y373-W398 HydrophobicContact CE2-CZ2 3.83Å; Y373-W398 AromaticContact CE2-NE1 3.35Å; Y373-W398 AromaticContact CZ-CE2 3.72Å; Y373-W398 AromaticContact CZ-CZ2 3.48Å; Y373-W398 VanDerWaalsContact CZ-CZ2 3.48Å; Y373-W398 AromaticContact CZ-NE1 3.52Å; Y373-W398 WeakPolarHBondContact OH-CZ2 3.46Å; Y373-W398 PolarHBondContact OH-NE1 2.81Å; Y373-Q652 HydrophobicContact CD1-CG 3.63Å; Y373-Q652 HydrophobicContact CE1-CG 3.75Å; Y373-T653 PolarHBondContact OH-OG1 2.78Å
374	G	80.5	Confident	83.2	Confident	3 Å²	3	43.4 Å²	43.4	3%	0.031	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	1.3	-179.3	0	0	0	0	0	114.7	G372 H384	G372-G374 PolarHBondContact O-N 3.23Å; G374-H384 PolarHBondContact N-CD2 3.08Å; G374-H384 PolarHBondContact N-NE2 3.16Å
375	L	74	Confident	83.2	Confident	21 Å²	21	41.9 Å²	41.9	11%	0.11	23%	0.233	C	C	.	.	S	Bend	trans	-90.3	130.7	174.5	-59.3	175.7	0	0	0	108.9	G372 Y373 D377 E693 E696 L697	G372-L375 PolarHBondContact O-N 3.46Å; Y373-L375 PolarHBondContact O-N 3.14Å; L375-D377 PolarHBondContact O-N 2.91Å; L375-E693 HydrophobicContact CD1-CB 4.19Å; L375-E693 HydrophobicContact CD1-CG 4.21Å; L375-E693 WeakPolarHBondContact CD2-O 3.33Å; L375-E696 HydrophobicContact CD1-CB 4.48Å; L375-E696 VanDerWaalsContact CD1-OE2 3.27Å; L375-E696 WeakPolarHBondContact CD1-OE2 3.32Å; L375-E696 HydrophobicContact CD2-CB 3.86Å; L375-L697 HydrophobicContact CD2-CB 3.87Å; L375-L697 HydrophobicContact CD2-CD1 4.44Å
376	P	63.5	Low	83	Confident	53 Å²	53	49.2 Å²	49.2	34%	0.344	26%	0.264	S	S	.	.			trans	-71.3	104.8	-178.2	29.3	-35.1	0	0	0	110.5	M379 A700	P376-M379 HydrophobicContact CB-CE 3.71Å; P376-A700 HydrophobicContact CG-CB 3.47Å; P376-A700 VanDerWaalsContact CG-CB 3.47Å
377	D	61.1	Low	82.9	Confident	101 Å²	101	50.8 Å²	50.8	54%	0.54	27%	0.273	S	S	.	.	S	Bend	trans	-100.1	87.6	157.8	-169.1	9.6	0	0	0	107.5	L375 M379 V380 R383	L375-D377 PolarHBondContact O-N 2.91Å; D377-M379 PolarHBondContact O-N 3.1Å; D377-V380 WeakPolarHBondContact O-CB 3.47Å; D377-V380 WeakPolarHBondContact O-CG2 3.34Å; D377-V380 PolarHBondContact O-N 3.33Å; D377-R383 IonicContact OD2-NH1 2.71Å
378	G	59.3	Low	82.9	Confident	67 Å²	67	43.8 Å²	43.8	69%	0.691	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	29.1	176.6	0	0	0	0	0	116.2	V380	G378-V380 PolarHBondContact O-N 3.42Å
379	M	67.3	Low	82.7	Confident	30 Å²	30	46.9 Å²	46.9	15%	0.148	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	28.5	-173.4	-68.1	-72.2	113.6	0	0	114.2	P376 D377 L381 W405 L660	P376-M379 HydrophobicContact CB-CE 3.71Å; D377-M379 PolarHBondContact O-N 3.1Å; M379-L381 VanDerWaalsContact C-N 3.29Å; M379-L381 PolarHBondContact O-N 2.93Å; M379-W405 HydrophobicContact CB-CE3 4.28Å; M379-W405 HydrophobicContact CB-CH2 3.56Å; M379-W405 HydrophobicContact CB-CZ2 3.93Å; M379-W405 HydrophobicContact CB-CZ3 3.75Å; M379-W405 HydrophobicContact CG-CH2 4.31Å; M379-W405 HydrophobicContact CG-CZ2 4.18Å; M379-L660 HydrophobicContact CE-CD2 3.74Å; M379-L660 HydrophobicContact SD-CD2 4.15Å
380	V	77.4	Confident	82.5	Confident	74 Å²	74	54 Å²	54	45%	0.448	31%	0.31	S	S	.	.			trans	-77.9	78.6	173.9	-174.9	0	0	0	0	110.2	D377 G378 S382 R383	D377-V380 WeakPolarHBondContact O-CB 3.47Å; D377-V380 WeakPolarHBondContact O-CG2 3.34Å; D377-V380 PolarHBondContact O-N 3.33Å; G378-V380 PolarHBondContact O-N 3.42Å; V380-S382 VanDerWaalsContact C-N 3.33Å; V380-S382 WeakPolarHBondContact CG1-OG 3.27Å; V380-S382 PolarHBondContact O-N 2.95Å; V380-R383 PolarHBondContact O-N 3.43Å
381	L	85.3	Confident	82.6	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.3	-175.8	-61.8	-179.8	0	0	0	113.6	M379 R383 H384 A385 W398 L401 E402 F420 L660	M379-L381 VanDerWaalsContact C-N 3.29Å; M379-L381 PolarHBondContact O-N 2.93Å; L381-R383 PolarHBondContact O-N 2.65Å; L381-R383 VanDerWaalsContact O-N 3.1Å; L381-H384 WeakPolarHBondContact O-CB 3.32Å; L381-H384 PolarHBondContact O-N 3.35Å; L381-A385 PolarHBondContact O-N 3.33Å; L381-W398 HydrophobicContact CB-CE3 4.45Å; L381-W398 HydrophobicContact CD2-CE3 4.22Å; L381-W398 HydrophobicContact CD2-CZ3 4.11Å; L381-L401 HydrophobicContact CD1-CB 3.72Å; L381-E402 HydrophobicContact CB-CB 4.19Å; L381-F420 HydrophobicContact CD1-CE1 3.99Å; L381-F420 HydrophobicContact CD1-CZ 4.32Å; L381-L660 HydrophobicContact CD2-CD1 3.91Å; L381-L660 HydrophobicContact CD2-CD2 4.44Å
382	S	81.7	Confident	82.6	Confident	42 Å²	42	56.8 Å²	56.8	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-55.1	-25.2	172.4	49.4	0	0	0	0	114.6	V380 H384 A385 K386 E402	V380-S382 VanDerWaalsContact C-N 3.33Å; V380-S382 WeakPolarHBondContact CG1-OG 3.27Å; V380-S382 PolarHBondContact O-N 2.95Å; S382-H384 VanDerWaalsContact C-N 3.32Å; S382-A385 WeakPolarHBondContact O-CB 3.36Å; S382-A385 PolarHBondContact O-N 3.28Å; S382-K386 PolarHBondContact O-N 2.69Å; S382-E402 WeakPolarHBondContact CB-OE2 3.34Å; S382-E402 PolarHBondContact N-OE2 2.93Å; S382-E402 PolarHBondContact OG-OE2 3.11Å
383	R	87.2	Confident	82.8	Confident	107 Å²	107	57.8 Å²	57.8	40%	0.404	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-38.2	172.7	-177	176.7	171.7	177.4	-5.9	111.5	A371 D377 V380 L381 A385 K386 L387	A371-R383 PolarHBondContact O-NH2 2.95Å; D377-R383 IonicContact OD2-NH1 2.71Å; V380-R383 PolarHBondContact O-N 3.43Å; L381-R383 PolarHBondContact O-N 2.65Å; L381-R383 VanDerWaalsContact O-N 3.1Å; R383-A385 VanDerWaalsContact C-N 3.33Å; R383-K386 PolarHBondContact O-N 3.3Å; R383-L387 WeakPolarHBondContact O-CG 3.43Å; R383-L387 PolarHBondContact O-N 2.93Å; R383-L387 VanDerWaalsContact O-N 3.16Å
384	H	91.2	Very high	83	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-67	-35.5	177.5	-58.1	142	0	0	0	112.1	Y373 G374 L381 S382 K386 L387 C388 W398	Y373-H384 HydrophobicContact CD2-CB 3.99Å; Y373-H384 AromaticContact CD2-CD2 3.81Å; Y373-H384 HydrophobicContact CE2-CB 3.84Å; G374-H384 PolarHBondContact N-CD2 3.08Å; G374-H384 PolarHBondContact N-NE2 3.16Å; L381-H384 WeakPolarHBondContact O-CB 3.32Å; L381-H384 PolarHBondContact O-N 3.35Å; S382-H384 VanDerWaalsContact C-N 3.32Å; H384-K386 VanDerWaalsContact C-N 3.31Å; H384-K386 PolarHBondContact O-N 3.15Å; H384-L387 PolarHBondContact O-N 2.9Å; H384-C388 PolarHBondContact O-N 3.48Å; H384-C388 VanDerWaalsContact O-N 3.14Å; H384-C388 PolarHBondContact O-SG 2.99Å; H384-W398 HydrophobicContact CB-CB 4.21Å; H384-W398 HydrophobicContact CB-CD2 3.41Å; H384-W398 VanDerWaalsContact CB-CD2 3.41Å; H384-W398 HydrophobicContact CB-CE3 3.88Å; H384-W398 HydrophobicContact CB-CG 3.52Å; H384-W398 HydrophobicContact CB-CZ2 4.39Å; H384-W398 AromaticContact ND1-CE3 3.75Å; H384-W398 AromaticContact ND1-CZ3 3.8Å
385	A	90.6	Very high	83.6	Confident	9 Å²	9	59.5 Å²	59.5	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-58.1	-44.3	172.5	0	0	0	0	0	111.2	L381 S382 R383 L387 C388 S389 T395 W398	L381-A385 PolarHBondContact O-N 3.33Å; S382-A385 WeakPolarHBondContact O-CB 3.36Å; S382-A385 PolarHBondContact O-N 3.28Å; R383-A385 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 3.06Å; A385-C388 CarbonylContact O-C 3.56Å; A385-C388 PolarHBondContact O-N 3.22Å; A385-C388 VanDerWaalsContact O-N 3.14Å; A385-S389 PolarHBondContact O-N 3.26Å; A385-T395 HydrophobicContact CB-CG2 4.3Å; A385-W398 HydrophobicContact CB-CB 3.82Å
386	K	90.4	Very high	84.5	Confident	163 Å²	163	60.6 Å²	60.6	71%	0.709	33%	0.332	S	S	*	.	H	α-helix	trans	-63.9	-39.2	177	-65.6	179	-178.5	179.2	0	113	S382 R383 H384 C388 S389	S382-K386 PolarHBondContact O-N 2.69Å; R383-K386 PolarHBondContact O-N 3.3Å; H384-K386 VanDerWaalsContact C-N 3.31Å; H384-K386 PolarHBondContact O-N 3.15Å; K386-C388 PolarHBondContact O-N 3.41Å; K386-S389 PolarHBondContact O-N 3.5Å; K386-S389 PolarHBondContact O-OG 3.46Å
387	L	91.1	Very high	86	Confident	52 Å²	52	58 Å²	58	27%	0.272	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-15.5	176.7	-66.7	177.4	0	0	0	113.3	A371 Y373 R383 H384 A385	A371-L387 HydrophobicContact CB-CD1 4.12Å; A371-L387 HydrophobicContact CB-CD2 3.56Å; Y373-L387 HydrophobicContact CD2-CB 4.27Å; Y373-L387 HydrophobicContact CD2-CD1 4.24Å; R383-L387 WeakPolarHBondContact O-CG 3.43Å; R383-L387 PolarHBondContact O-N 2.93Å; R383-L387 VanDerWaalsContact O-N 3.16Å; H384-L387 PolarHBondContact O-N 2.9Å; A385-L387 PolarHBondContact O-N 3.06Å
388	C	91.9	Very high	87.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	24.5	178.1	-56.4	0	0	0	0	112.6	Y373 H384 A385 K386 D390 D391 L394 T395	Y373-C388 WeakPolarHBondContact CE2-SG 3.13Å; H384-C388 PolarHBondContact O-N 3.48Å; H384-C388 VanDerWaalsContact O-N 3.14Å; H384-C388 PolarHBondContact O-SG 2.99Å; A385-C388 CarbonylContact O-C 3.56Å; A385-C388 PolarHBondContact O-N 3.22Å; A385-C388 VanDerWaalsContact O-N 3.14Å; K386-C388 PolarHBondContact O-N 3.41Å; C388-D390 PolarHBondContact O-N 3.41Å; C388-D390 VanDerWaalsContact O-N 3.09Å; C388-D391 CarbonylContact O-C 3.53Å; C388-D391 WeakPolarHBondContact O-CA 3.21Å; C388-D391 PolarHBondContact O-N 2.93Å; C388-L394 HydrophobicContact CB-CB 3.6Å; C388-L394 HydrophobicContact CB-CD1 4.31Å; C388-T395 PolarHBondContact O-OG1 3.27Å
389	S	88.8	Confident	89	Confident	86 Å²	86	52.5 Å²	52.5	60%	0.601	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.7	-177.8	38	0	0	0	0	114.2	A385 K386 D391	A385-S389 PolarHBondContact O-N 3.26Å; K386-S389 PolarHBondContact O-N 3.5Å; K386-S389 PolarHBondContact O-OG 3.46Å; S389-D391 PolarHBondContact O-N 3.13Å
390	D	88.9	Confident	90.2	Very high	151 Å²	151	51.4 Å²	51.4	81%	0.807	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12	173.6	-55.6	-36.6	0	0	0	113.3	C388	C388-D390 PolarHBondContact O-N 3.41Å; C388-D390 VanDerWaalsContact O-N 3.09Å
391	D	92.6	Very high	90.9	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	25%	0.247	S	C	.	.			trans	-127.6	107.8	-177.5	-173.2	-38.5	0	0	0	110.5	C388 S389 Q393 L394 T395	C388-D391 CarbonylContact O-C 3.53Å; C388-D391 WeakPolarHBondContact O-CA 3.21Å; C388-D391 PolarHBondContact O-N 2.93Å; S389-D391 PolarHBondContact O-N 3.13Å; D391-Q393 VanDerWaalsContact C-N 3.31Å; D391-Q393 PolarHBondContact O-N 3.3Å; D391-Q393 WeakPolarHBondContact OD1-CB 3.26Å; D391-Q393 PolarHBondContact OD1-N 3Å; D391-L394 HydrophobicContact CB-CB 4.09Å; D391-L394 HydrophobicContact CB-CD1 4.14Å; D391-L394 HydrophobicContact CB-CG 4.19Å; D391-L394 PolarHBondContact O-N 3.44Å; D391-L394 PolarHBondContact OD1-N 3.17Å; D391-T395 WeakPolarHBondContact O-CB 3.31Å; D391-T395 PolarHBondContact O-N 3.23Å; D391-T395 PolarHBondContact O-OG1 2.75Å
392	E	91.3	Very high	91.1	Very high	158 Å²	158	49.5 Å²	49.5	74%	0.738	25%	0.254	S	S	*	.	H	α-helix	trans	-60.8	-39.1	-178.3	-170.8	-175.2	166.6	0	0	112.3	T395 W396	E392-T395 PolarHBondContact O-N 2.61Å; E392-W396 WeakPolarHBondContact O-CB 3.01Å; E392-W396 PolarHBondContact O-N 2.95Å
393	Q	93.9	Very high	91.4	Very high	34 Å²	34	49.7 Å²	49.7	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-42.5	-178.7	174	167.9	90.8	0	0	111.1	D391 W396 L397 S622 L623 Y624	D391-Q393 VanDerWaalsContact C-N 3.31Å; D391-Q393 PolarHBondContact O-N 3.3Å; D391-Q393 WeakPolarHBondContact OD1-CB 3.26Å; D391-Q393 PolarHBondContact OD1-N 3Å; Q393-W396 PolarHBondContact O-N 2.96Å; Q393-L397 WeakPolarHBondContact O-CB 3.23Å; Q393-L397 PolarHBondContact O-N 3.02Å; Q393-S622 PolarHBondContact NE2-OG 2.96Å; Q393-L623 HydrophobicContact CG-CB 4Å; Q393-L623 VanDerWaalsContact NE2-N 3.14Å; Q393-Y624 HydrophobicContact CB-CE2 4.26Å; Q393-Y624 HydrophobicContact CG-CE2 4.26Å
394	L	94.6	Very high	91.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-38.5	176.5	-66.9	-177	0	0	0	112.2	C388 D391 W396 L397 W398 L623 T653	C388-L394 HydrophobicContact CB-CB 3.6Å; C388-L394 HydrophobicContact CB-CD1 4.31Å; D391-L394 HydrophobicContact CB-CB 4.09Å; D391-L394 HydrophobicContact CB-CD1 4.14Å; D391-L394 HydrophobicContact CB-CG 4.19Å; D391-L394 PolarHBondContact O-N 3.44Å; D391-L394 PolarHBondContact OD1-N 3.17Å; L394-W396 VanDerWaalsContact C-N 3.3Å; L394-W396 PolarHBondContact O-N 3.15Å; L394-L397 HydrophobicContact CD2-CD2 3.96Å; L394-L397 WeakPolarHBondContact O-CB 3.38Å; L394-L397 PolarHBondContact O-N 2.9Å; L394-W398 PolarHBondContact O-N 3.26Å; L394-L623 HydrophobicContact CD2-CD1 3.87Å; L394-T653 HydrophobicContact CD2-CG2 3.77Å
395	T	93	Very high	91.3	Very high	41 Å²	41	46.7 Å²	46.7	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-44.4	174.7	-61.7	0	0	0	0	111	A385 C388 D391 E392 S399	A385-T395 HydrophobicContact CB-CG2 4.3Å; C388-T395 PolarHBondContact O-OG1 3.27Å; D391-T395 WeakPolarHBondContact O-CB 3.31Å; D391-T395 PolarHBondContact O-N 3.23Å; D391-T395 PolarHBondContact O-OG1 2.75Å; E392-T395 PolarHBondContact O-N 2.61Å; T395-S399 PolarHBondContact O-N 2.92Å; T395-S399 PolarHBondContact O-OG 2.63Å
396	W	92.8	Very high	91.2	Very high	43 Å²	43	50.5 Å²	50.5	16%	0.163	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-49.4	172.8	167.2	81.8	0	0	0	111.8	E392 Q393 L394 W398 S399 W400 C591 L623 Y624 L627	E392-W396 WeakPolarHBondContact O-CB 3.01Å; E392-W396 PolarHBondContact O-N 2.95Å; Q393-W396 PolarHBondContact O-N 2.96Å; L394-W396 VanDerWaalsContact C-N 3.3Å; L394-W396 PolarHBondContact O-N 3.15Å; W396-W398 VanDerWaalsContact C-N 3.34Å; W396-W398 PolarHBondContact O-N 2.97Å; W396-S399 WeakPolarHBondContact O-CB 3.21Å; W396-S399 PolarHBondContact O-N 3.41Å; W396-S399 VanDerWaalsContact O-N 3.1Å; W396-W400 HydrophobicContact CH2-CD2 4.41Å; W396-W400 HydrophobicContact CH2-CG 4.38Å; W396-W400 HydrophobicContact CZ2-CB 4.09Å; W396-W400 HydrophobicContact CZ2-CG 4.06Å; W396-W400 WeakPolarHBondContact O-CB 3.37Å; W396-W400 PolarHBondContact O-N 2.89Å; W396-C591 PolarHBondContact NE1-SG 3.12Å; W396-L623 WeakPolarHBondContact CZ3-O 3.47Å; W396-Y624 HydrophobicContact CB-CE1 3.97Å; W396-Y624 AromaticContact CD2-CD1 3.44Å; W396-Y624 HydrophobicContact CD2-CD1 3.44Å; W396-Y624 VanDerWaalsContact CD2-CD1 3.44Å; W396-Y624 AromaticContact CD2-CE1 3.39Å; W396-Y624 HydrophobicContact CD2-CE1 3.39Å; W396-Y624 AromaticContact CE2-CD1 3.72Å; W396-Y624 AromaticContact CE3-CD1 3.35Å; W396-Y624 HydrophobicContact CE3-CD1 3.35Å; W396-Y624 AromaticContact CE3-CE1 3.53Å; W396-Y624 HydrophobicContact CE3-CE1 3.53Å; W396-Y624 HydrophobicContact CE3-CG 4.33Å; W396-Y624 HydrophobicContact CG-CD1 4.12Å; W396-Y624 AromaticContact CG-CE1 3.57Å; W396-Y624 HydrophobicContact CG-CE1 3.57Å; W396-Y624 AromaticContact CH2-CD1 3.91Å; W396-Y624 HydrophobicContact CH2-CD1 3.91Å; W396-Y624 AromaticContact CZ2-CD1 3.95Å; W396-Y624 HydrophobicContact CZ2-CD1 3.95Å; W396-Y624 VanDerWaalsContact CZ3-CA 3.5Å; W396-Y624 AromaticContact CZ3-CD1 3.62Å; W396-Y624 HydrophobicContact CZ3-CD1 3.62Å; W396-Y624 HydrophobicContact CZ3-CE1 4.28Å; W396-Y624 HydrophobicContact CZ3-CG 4.3Å; W396-L627 HydrophobicContact CH2-CB 4.09Å; W396-L627 HydrophobicContact CZ2-CB 4.03Å
397	L	95	Very high	90.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-54	-50.1	-176.1	175.7	70.9	0	0	0	111.6	Q393 L394 S399 W400 L401 L623 L626 T653 L657	Q393-L397 WeakPolarHBondContact O-CB 3.23Å; Q393-L397 PolarHBondContact O-N 3.02Å; L394-L397 HydrophobicContact CD2-CD2 3.96Å; L394-L397 WeakPolarHBondContact O-CB 3.38Å; L394-L397 PolarHBondContact O-N 2.9Å; L397-S399 VanDerWaalsContact C-N 3.32Å; L397-S399 PolarHBondContact O-N 3.14Å; L397-W400 HydrophobicContact CD1-CE3 4.05Å; L397-W400 HydrophobicContact CD1-CZ3 4.28Å; L397-W400 PolarHBondContact O-N 2.88Å; L397-L401 HydrophobicContact CD1-CD1 4.38Å; L397-L401 HydrophobicContact CD1-CG 4.49Å; L397-L401 HydrophobicContact CG-CD1 4.12Å; L397-L401 VanDerWaalsContact O-CG 3.3Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 3.41Å; L397-L623 HydrophobicContact CD2-CD1 3.78Å; L397-L626 HydrophobicContact CD1-CD1 3.67Å; L397-T653 HydrophobicContact CD2-CG2 4.27Å; L397-L657 HydrophobicContact CD1-CD2 4.47Å; L397-L657 HydrophobicContact CD2-CD1 4.22Å; L397-L657 HydrophobicContact CD2-CD2 3.91Å; L397-L657 HydrophobicContact CG-CD2 4.39Å
398	W	93.3	Very high	90.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-36.7	-179.2	-70.5	118.6	0	0	0	112.7	Y373 L381 H384 A385 L394 W396 L401 E402 T653 V656 L657 L660	Y373-W398 HydrophobicContact CE1-CZ2 4.22Å; Y373-W398 AromaticContact CE2-CE2 3.7Å; Y373-W398 AromaticContact CE2-CZ2 3.83Å; Y373-W398 HydrophobicContact CE2-CZ2 3.83Å; Y373-W398 AromaticContact CE2-NE1 3.35Å; Y373-W398 AromaticContact CZ-CE2 3.72Å; Y373-W398 AromaticContact CZ-CZ2 3.48Å; Y373-W398 VanDerWaalsContact CZ-CZ2 3.48Å; Y373-W398 AromaticContact CZ-NE1 3.52Å; Y373-W398 WeakPolarHBondContact OH-CZ2 3.46Å; Y373-W398 PolarHBondContact OH-NE1 2.81Å; L381-W398 HydrophobicContact CB-CE3 4.45Å; L381-W398 HydrophobicContact CD2-CE3 4.22Å; L381-W398 HydrophobicContact CD2-CZ3 4.11Å; H384-W398 HydrophobicContact CB-CB 4.21Å; H384-W398 HydrophobicContact CB-CD2 3.41Å; H384-W398 VanDerWaalsContact CB-CD2 3.41Å; H384-W398 HydrophobicContact CB-CE3 3.88Å; H384-W398 HydrophobicContact CB-CG 3.52Å; H384-W398 HydrophobicContact CB-CZ2 4.39Å; H384-W398 AromaticContact ND1-CE3 3.75Å; H384-W398 AromaticContact ND1-CZ3 3.8Å; A385-W398 HydrophobicContact CB-CB 3.82Å; L394-W398 PolarHBondContact O-N 3.26Å; W396-W398 VanDerWaalsContact C-N 3.34Å; W396-W398 PolarHBondContact O-N 2.97Å; W398-L401 HydrophobicContact CD2-CD1 4.47Å; W398-L401 HydrophobicContact CE3-CD1 3.67Å; W398-L401 HydrophobicContact CH2-CD1 4.38Å; W398-L401 HydrophobicContact CZ3-CD1 3.6Å; W398-L401 PolarHBondContact O-N 2.98Å; W398-E402 PolarHBondContact O-N 3.03Å; W398-T653 HydrophobicContact CZ2-CG2 4.47Å; W398-V656 HydrophobicContact CH2-CB 4.43Å; W398-V656 HydrophobicContact CH2-CG1 3.63Å; W398-V656 HydrophobicContact CZ2-CG1 4.37Å; W398-L657 HydrophobicContact CH2-CD2 4.33Å; W398-L660 HydrophobicContact CH2-CD1 3.8Å; W398-L660 HydrophobicContact CZ3-CD1 3.43Å; W398-L660 VanDerWaalsContact CZ3-CD1 3.43Å
399	S	90.4	Very high	90	Very high	52 Å²	52	47 Å²	47	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-39.9	175.4	-51.6	0	0	0	0	111.6	T395 W396 L397 T403	T395-S399 PolarHBondContact O-N 2.92Å; T395-S399 PolarHBondContact O-OG 2.63Å; W396-S399 WeakPolarHBondContact O-CB 3.21Å; W396-S399 PolarHBondContact O-N 3.41Å; W396-S399 VanDerWaalsContact O-N 3.1Å; L397-S399 VanDerWaalsContact C-N 3.32Å; L397-S399 PolarHBondContact O-N 3.14Å; S399-T403 PolarHBondContact O-N 3.45Å; S399-T403 PolarHBondContact O-OG1 3.3Å
400	W	92.6	Very high	89.4	Confident	6 Å²	6	49.6 Å²	49.6	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-43.5	175.2	169.4	71.6	0	0	0	111.6	W396 L397 E402 T403 A404 L465 L626 L627 I631	W396-W400 HydrophobicContact CH2-CD2 4.41Å; W396-W400 HydrophobicContact CH2-CG 4.38Å; W396-W400 HydrophobicContact CZ2-CB 4.09Å; W396-W400 HydrophobicContact CZ2-CG 4.06Å; W396-W400 WeakPolarHBondContact O-CB 3.37Å; W396-W400 PolarHBondContact O-N 2.89Å; L397-W400 HydrophobicContact CD1-CE3 4.05Å; L397-W400 HydrophobicContact CD1-CZ3 4.28Å; L397-W400 PolarHBondContact O-N 2.88Å; W400-E402 VanDerWaalsContact C-N 3.31Å; W400-E402 PolarHBondContact O-N 3.25Å; W400-T403 CarbonylContact O-C 3.59Å; W400-T403 WeakPolarHBondContact O-CA 3.45Å; W400-T403 WeakPolarHBondContact O-CB 3.31Å; W400-T403 PolarHBondContact O-N 3.44Å; W400-A404 HydrophobicContact CZ2-CB 4.32Å; W400-A404 WeakPolarHBondContact O-CB 3.4Å; W400-A404 PolarHBondContact O-N 3.46Å; W400-L465 VanDerWaalsContact CD1-O 3.3Å; W400-L626 HydrophobicContact CH2-CB 4.01Å; W400-L626 WeakPolarHBondContact CH2-O 3.49Å; W400-L626 WeakPolarHBondContact CZ2-O 3.15Å; W400-L626 HydrophobicContact CZ3-CB 3.83Å; W400-L627 VanDerWaalsContact NE1-CD1 3.3Å; W400-I631 HydrophobicContact CZ3-CG1 4.47Å
401	L	91.9	Very high	88.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-39.4	178	-72.6	171.1	0	0	0	112.6	L381 L397 W398 T403 A404 W405 F420 I631 L657	L381-L401 HydrophobicContact CD1-CB 3.72Å; L397-L401 HydrophobicContact CD1-CD1 4.38Å; L397-L401 HydrophobicContact CD1-CG 4.49Å; L397-L401 HydrophobicContact CG-CD1 4.12Å; L397-L401 VanDerWaalsContact O-CG 3.3Å; L397-L401 WeakPolarHBondContact O-CG 3.44Å; L397-L401 PolarHBondContact O-N 3.41Å; W398-L401 HydrophobicContact CD2-CD1 4.47Å; W398-L401 HydrophobicContact CE3-CD1 3.67Å; W398-L401 HydrophobicContact CH2-CD1 4.38Å; W398-L401 HydrophobicContact CZ3-CD1 3.6Å; W398-L401 PolarHBondContact O-N 2.98Å; L401-T403 VanDerWaalsContact C-N 3.28Å; L401-T403 PolarHBondContact O-N 3.02Å; L401-A404 PolarHBondContact O-N 2.89Å; L401-W405 WeakPolarHBondContact O-CB 2.98Å; L401-W405 PolarHBondContact O-N 3.24Å; L401-F420 HydrophobicContact CB-CD1 4.01Å; L401-F420 HydrophobicContact CB-CE1 3.89Å; L401-F420 HydrophobicContact CD2-CB 3.81Å; L401-F420 HydrophobicContact CD2-CD1 3.34Å; L401-F420 HydrophobicContact CD2-CD2 4.07Å; L401-F420 HydrophobicContact CD2-CE1 3.83Å; L401-F420 HydrophobicContact CD2-CE2 4.49Å; L401-F420 HydrophobicContact CD2-CG 3.47Å; L401-F420 VanDerWaalsContact CD2-CG 3.47Å; L401-F420 HydrophobicContact CD2-CZ 4.39Å; L401-F420 HydrophobicContact CG-CD1 4.29Å; L401-F420 HydrophobicContact CG-CE1 4.42Å; L401-F420 WeakPolarHBondContact O-CD1 3.5Å; L401-F420 WeakPolarHBondContact O-CE1 3.32Å; L401-I631 HydrophobicContact CD1-CD1 4.34Å; L401-I631 HydrophobicContact CD2-CD1 3.39Å; L401-I631 HydrophobicContact CD2-CG1 4.16Å; L401-I631 HydrophobicContact CG-CD1 4.49Å; L401-L657 HydrophobicContact CD1-CD2 3.62Å
402	E	89.4	Confident	87	Confident	37 Å²	37	48.7 Å²	48.7	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-41	173.8	-166.8	175.2	151.6	0	0	111.4	L381 S382 W398 W400 K406	L381-E402 HydrophobicContact CB-CB 4.19Å; S382-E402 WeakPolarHBondContact CB-OE2 3.34Å; S382-E402 PolarHBondContact N-OE2 2.93Å; S382-E402 PolarHBondContact OG-OE2 3.11Å; W398-E402 PolarHBondContact O-N 3.03Å; W400-E402 VanDerWaalsContact C-N 3.31Å; W400-E402 PolarHBondContact O-N 3.25Å; E402-K406 WeakPolarHBondContact O-CG 3.37Å; E402-K406 PolarHBondContact O-N 3.02Å; E402-K406 VanDerWaalsContact O-N 3.07Å; E402-K406 WeakPolarHBondContact OE1-CE 3.24Å; E402-K406 IonicContact OE1-NZ 2.88Å; E402-K406 PolarHBondContact OE1-NZ 3.49Å
403	T	88.8	Confident	85.6	Confident	46 Å²	46	41.2 Å²	41.2	28%	0.282	20%	0.199	S	C	.	.	H	α-helix	trans	-67.3	-44.7	177.6	-54.6	0	0	0	0	111.6	S399 W400 L401 K406 L407 T464	S399-T403 PolarHBondContact O-N 3.45Å; S399-T403 PolarHBondContact O-OG1 3.3Å; W400-T403 CarbonylContact O-C 3.59Å; W400-T403 WeakPolarHBondContact O-CA 3.45Å; W400-T403 WeakPolarHBondContact O-CB 3.31Å; W400-T403 PolarHBondContact O-N 3.44Å; L401-T403 VanDerWaalsContact C-N 3.28Å; L401-T403 PolarHBondContact O-N 3.02Å; T403-K406 PolarHBondContact O-N 3.28Å; T403-L407 WeakPolarHBondContact O-CB 3.34Å; T403-L407 PolarHBondContact O-N 3.47Å; T403-T464 HydrophobicContact CG2-CG2 4.07Å; T403-T464 VanDerWaalsContact CG2-O 3.31Å; T403-T464 WeakPolarHBondContact CG2-O 3.48Å
404	A	90.1	Very high	83.7	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-39.5	179.1	0	0	0	0	0	112	W400 L401 Q408 F420 L465	W400-A404 HydrophobicContact CZ2-CB 4.32Å; W400-A404 WeakPolarHBondContact O-CB 3.4Å; W400-A404 PolarHBondContact O-N 3.46Å; L401-A404 PolarHBondContact O-N 2.89Å; A404-Q408 WeakPolarHBondContact O-CB 3.36Å; A404-Q408 PolarHBondContact O-N 2.65Å; A404-F420 HydrophobicContact CB-CB 4.4Å; A404-F420 HydrophobicContact CB-CD1 4.29Å; A404-L465 HydrophobicContact CB-CD2 3.69Å
405	W	87	Confident	82.2	Confident	52 Å²	52	44.7 Å²	44.7	20%	0.197	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-46.2	175.7	175.2	52	0	0	0	112.4	M379 L401 L407 Q408 E409 F420	M379-W405 HydrophobicContact CB-CE3 4.28Å; M379-W405 HydrophobicContact CB-CH2 3.56Å; M379-W405 HydrophobicContact CB-CZ2 3.93Å; M379-W405 HydrophobicContact CB-CZ3 3.75Å; M379-W405 HydrophobicContact CG-CH2 4.31Å; M379-W405 HydrophobicContact CG-CZ2 4.18Å; L401-W405 WeakPolarHBondContact O-CB 2.98Å; L401-W405 PolarHBondContact O-N 3.24Å; W405-L407 VanDerWaalsContact C-N 3.32Å; W405-L407 PolarHBondContact O-N 2.87Å; W405-Q408 WeakPolarHBondContact O-CB 3.23Å; W405-Q408 PolarHBondContact O-N 3.09Å; W405-Q408 VanDerWaalsContact O-N 3.15Å; W405-E409 VanDerWaalsContact CE2-OE1 3.26Å; W405-E409 WeakPolarHBondContact CZ2-OE1 2.81Å; W405-E409 VanDerWaalsContact NE1-CD 3.31Å; W405-E409 PolarHBondContact NE1-OE1 3.28Å; W405-E409 PolarHBondContact O-N 3.13Å; W405-F420 HydrophobicContact CB-CD1 4.21Å; W405-F420 HydrophobicContact CB-CE1 3.8Å
406	K	86.6	Confident	80.6	Confident	88 Å²	88	48.6 Å²	48.6	38%	0.383	25%	0.253	S	S	.	.	H	α-helix	trans	-58.6	-44.2	175	-74.1	174.9	-173.4	166.8	0	111.9	E402 T403 Q408 E409 E410	E402-K406 WeakPolarHBondContact O-CG 3.37Å; E402-K406 PolarHBondContact O-N 3.02Å; E402-K406 VanDerWaalsContact O-N 3.07Å; E402-K406 WeakPolarHBondContact OE1-CE 3.24Å; E402-K406 IonicContact OE1-NZ 2.88Å; E402-K406 PolarHBondContact OE1-NZ 3.49Å; T403-K406 PolarHBondContact O-N 3.28Å; K406-Q408 VanDerWaalsContact C-N 3.3Å; K406-Q408 PolarHBondContact O-N 2.96Å; K406-E409 PolarHBondContact O-N 3.42Å; K406-E410 WeakPolarHBondContact O-CB 3.36Å; K406-E410 WeakPolarHBondContact O-CG 3.37Å; K406-E410 PolarHBondContact O-N 2.97Å
407	L	85.8	Confident	79.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-42.9	176.1	-173.7	73.5	0	0	0	111.8	T403 W405 E411 V413 N461 T464 L465	T403-L407 WeakPolarHBondContact O-CB 3.34Å; T403-L407 PolarHBondContact O-N 3.47Å; W405-L407 VanDerWaalsContact C-N 3.32Å; W405-L407 PolarHBondContact O-N 2.87Å; L407-E411 VanDerWaalsContact CD1-CD 3.42Å; L407-E411 HydrophobicContact CD1-CG 4.08Å; L407-E411 WeakPolarHBondContact CD1-OE2 3.46Å; L407-E411 WeakPolarHBondContact O-CB 3.35Å; L407-E411 PolarHBondContact O-N 3.38Å; L407-E411 VanDerWaalsContact O-N 3.11Å; L407-V413 HydrophobicContact CG-CG2 4.45Å; L407-N461 HydrophobicContact CD1-CB 4.24Å; L407-N461 HydrophobicContact CD2-CB 4.24Å; L407-T464 HydrophobicContact CD1-CG2 3.88Å; L407-L465 HydrophobicContact CD2-CD1 4.27Å; L407-L465 HydrophobicContact CD2-CD2 3.63Å; L407-L465 HydrophobicContact CD2-CG 3.69Å
408	Q	83.1	Confident	78.6	Confident	31 Å²	31	50 Å²	50	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-43	177.9	-173	69.2	12.6	0	0	112.1	A404 W405 K406 V413 T418	A404-Q408 WeakPolarHBondContact O-CB 3.36Å; A404-Q408 PolarHBondContact O-N 2.65Å; W405-Q408 WeakPolarHBondContact O-CB 3.23Å; W405-Q408 PolarHBondContact O-N 3.09Å; W405-Q408 VanDerWaalsContact O-N 3.15Å; K406-Q408 VanDerWaalsContact C-N 3.3Å; K406-Q408 PolarHBondContact O-N 2.96Å; Q408-V413 PolarHBondContact NE2-O 3.37Å; Q408-V413 PolarHBondContact OE1-O 3.12Å; Q408-T418 PolarHBondContact NE2-O 3.26Å
409	E	80.1	Confident	78.1	Confident	107 Å²	107	53.9 Å²	53.9	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-74.4	-45.6	-179.5	-69.7	-161.4	162.9	0	0	113.2	W405 K406 Q412	W405-E409 VanDerWaalsContact CE2-OE1 3.26Å; W405-E409 WeakPolarHBondContact CZ2-OE1 2.81Å; W405-E409 VanDerWaalsContact NE1-CD 3.31Å; W405-E409 PolarHBondContact NE1-OE1 3.28Å; W405-E409 PolarHBondContact O-N 3.13Å; K406-E409 PolarHBondContact O-N 3.42Å; E409-Q412 PolarHBondContact O-NE2 2.95Å
410	E	77.3	Confident	78.1	Confident	140 Å²	140	51.4 Å²	51.4	65%	0.654	28%	0.275	S	S	*	.	H	α-helix	trans	-75.4	-46.3	-173.3	-70.1	178.6	-179.8	0	0	112.6	K406	K406-E410 WeakPolarHBondContact O-CB 3.36Å; K406-E410 WeakPolarHBondContact O-CG 3.37Å; K406-E410 PolarHBondContact O-N 2.97Å
411	E	67.7	Low	77.9	Confident	52 Å²	52	51.1 Å²	51.1	24%	0.243	27%	0.274	C	S	.	.	S	Bend	trans	-95.6	1.6	-172.6	-64.7	-169.1	165.3	0	0	113.6	L407 V413 N461	L407-E411 VanDerWaalsContact CD1-CD 3.42Å; L407-E411 HydrophobicContact CD1-CG 4.08Å; L407-E411 WeakPolarHBondContact CD1-OE2 3.46Å; L407-E411 WeakPolarHBondContact O-CB 3.35Å; L407-E411 PolarHBondContact O-N 3.38Å; L407-E411 VanDerWaalsContact O-N 3.11Å; E411-V413 HydrophobicContact CB-CG2 3.88Å; E411-V413 PolarHBondContact O-N 2.98Å; E411-N461 PolarHBondContact OE1-OD1 3Å; E411-N461 PolarHBondContact OE2-ND2 3.2Å; E411-N461 PolarHBondContact OE2-OD1 3.28Å
412	Q	61.8	Low	77.9	Confident	130 Å²	130	51.2 Å²	51.2	61%	0.607	27%	0.274	S	S	*	.			trans	46.9	42.2	-179.7	-63.6	-69.8	-46.6	0	0	111.1	E409 S414	E409-Q412 PolarHBondContact O-NE2 2.95Å; Q412-S414 PolarHBondContact O-N 3.15Å; Q412-S414 PolarHBondContact O-OG 2.89Å
413	V	61.4	Low	78	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.266	C	S	.	.			trans	-66.5	77.7	171.2	-170.9	0	0	0	0	105.6	L407 Q408 E411 L415 V426	L407-V413 HydrophobicContact CG-CG2 4.45Å; Q408-V413 PolarHBondContact NE2-O 3.37Å; Q408-V413 PolarHBondContact OE1-O 3.12Å; E411-V413 HydrophobicContact CB-CG2 3.88Å; E411-V413 PolarHBondContact O-N 2.98Å; V413-L415 HydrophobicContact CG1-CD1 3.73Å; V413-L415 HydrophobicContact CG1-CG 3.99Å; V413-L415 PolarHBondContact O-N 3.01Å; V413-V426 HydrophobicContact CG1-CG2 4.39Å
414	S	54.3	Low	78.1	Confident	73 Å²	73	49.1 Å²	49.1	51%	0.51	26%	0.261	S	S	.	.			trans	-75.3	55.9	-168.1	40.2	0	0	0	0	111	Q412 S416	Q412-S414 PolarHBondContact O-N 3.15Å; Q412-S414 PolarHBondContact O-OG 2.89Å; S414-S416 PolarHBondContact O-N 3.34Å
415	L	62.9	Low	77.9	Confident	35 Å²	35	50.6 Å²	50.6	18%	0.183	27%	0.273	C	S	.	.			trans	-68.9	99.3	166.3	-70.3	164.5	0	0	0	106.9	V413 G417 T418 P421 A425 V426	V413-L415 HydrophobicContact CG1-CD1 3.73Å; V413-L415 HydrophobicContact CG1-CG 3.99Å; V413-L415 PolarHBondContact O-N 3.01Å; L415-G417 PolarHBondContact O-N 3.26Å; L415-T418 HydrophobicContact CB-CG2 4.23Å; L415-P421 HydrophobicContact CD1-CB 3.5Å; L415-A425 HydrophobicContact CD1-CB 3.7Å; L415-A425 HydrophobicContact CD2-CB 4.12Å; L415-V426 HydrophobicContact CD1-CG2 4.08Å
416	S	59.4	Low	78	Confident	122 Å²	122	48.1 Å²	48.1	85%	0.853	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	123.2	178	55.5	0	0	0	0	110.6	S414	S414-S416 PolarHBondContact O-N 3.34Å
417	G	67.7	Low	78	Confident	54 Å²	54	44.4 Å²	44.4	56%	0.557	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	99.5	4.2	168.1	0	0	0	0	0	117.2	L415	L415-G417 PolarHBondContact O-N 3.26Å
418	T	79.7	Confident	77.9	Confident	20 Å²	20	50.4 Å²	50.4	12%	0.123	28%	0.279	C	S	.	.			trans	-139.8	145.9	171.8	177.8	0	0	0	0	112	Q408 L415 F420 P421 I631 N661	Q408-T418 PolarHBondContact NE2-O 3.26Å; L415-T418 HydrophobicContact CB-CG2 4.23Å; T418-F420 PolarHBondContact OG1-N 2.81Å; T418-F420 PolarHBondContact OG1-O 3.36Å; T418-P421 HydrophobicContact CG2-CB 4.41Å; T418-I631 WeakPolarHBondContact CB-O 3.21Å; T418-I631 PolarHBondContact OG1-O 3.26Å; T418-N661 WeakPolarHBondContact CA-OD1 3.22Å; T418-N661 PolarHBondContact OG1-OD1 2.77Å
419	R	82.5	Confident	77.8	Confident	80 Å²	80	49.3 Å²	49.3	30%	0.302	28%	0.275	S	S	.	.	S	Bend	trans	-94.9	-14.3	169	-68.5	-178.2	178.6	170.1	-1.3	112.9	P421 L660 N661 H704	R419-P421 WeakPolarHBondContact O-CD 3.35Å; R419-L660 PolarHBondContact NH1-O 2.64Å; R419-N661 PolarHBondContact N-OD1 2.83Å; R419-H704 PolarHBondContact NH1-CE1 3.03Å; R419-H704 PolarHBondContact NH1-ND1 3.12Å; R419-H704 PolarHBondContact NH2-ND1 2.96Å
420	F	89.3	Confident	77.1	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	75.8	-173.6	-54.5	-74.8	0	0	0	109	L381 L401 A404 W405 T418 G630 I631 L660 N661	L381-F420 HydrophobicContact CD1-CE1 3.99Å; L381-F420 HydrophobicContact CD1-CZ 4.32Å; L401-F420 HydrophobicContact CB-CD1 4.01Å; L401-F420 HydrophobicContact CB-CE1 3.89Å; L401-F420 HydrophobicContact CD2-CB 3.81Å; L401-F420 HydrophobicContact CD2-CD1 3.34Å; L401-F420 HydrophobicContact CD2-CD2 4.07Å; L401-F420 HydrophobicContact CD2-CE1 3.83Å; L401-F420 HydrophobicContact CD2-CE2 4.49Å; L401-F420 HydrophobicContact CD2-CG 3.47Å; L401-F420 VanDerWaalsContact CD2-CG 3.47Å; L401-F420 HydrophobicContact CD2-CZ 4.39Å; L401-F420 HydrophobicContact CG-CD1 4.29Å; L401-F420 HydrophobicContact CG-CE1 4.42Å; L401-F420 WeakPolarHBondContact O-CD1 3.5Å; L401-F420 WeakPolarHBondContact O-CE1 3.32Å; A404-F420 HydrophobicContact CB-CB 4.4Å; A404-F420 HydrophobicContact CB-CD1 4.29Å; W405-F420 HydrophobicContact CB-CD1 4.21Å; W405-F420 HydrophobicContact CB-CE1 3.8Å; T418-F420 PolarHBondContact OG1-N 2.81Å; T418-F420 PolarHBondContact OG1-O 3.36Å; F420-G630 CarbonylContact O-C 3.52Å; F420-G630 WeakPolarHBondContact O-CA 3.45Å; F420-I631 HydrophobicContact CB-CB 4.14Å; F420-I631 HydrophobicContact CB-CD1 4.37Å; F420-I631 HydrophobicContact CB-CG1 4.18Å; F420-I631 HydrophobicContact CD2-CB 4.3Å; F420-I631 HydrophobicContact CD2-CD1 4.02Å; F420-I631 HydrophobicContact CG-CD1 4.32Å; F420-I631 PolarHBondContact O-N 3.41Å; F420-L660 HydrophobicContact CE2-CB 3.81Å; F420-L660 HydrophobicContact CZ-CB 4.06Å; F420-N661 HydrophobicContact CD2-CB 4.12Å; F420-N661 HydrophobicContact CE2-CB 4.38Å
421	P	89.2	Confident	76.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142	-175.7	30.5	-38.1	0	0	0	111.9	L415 T418 R419 V426	L415-P421 HydrophobicContact CD1-CB 3.5Å; T418-P421 HydrophobicContact CG2-CB 4.41Å; R419-P421 WeakPolarHBondContact O-CD 3.35Å; P421-V426 HydrophobicContact CB-CG2 3.89Å; P421-V426 HydrophobicContact CG-CG2 4.29Å
422	G	91.6	Very high	75.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.01	28%	0.276	C	S	.	.			trans	-93.3	164.8	171.7	0	0	0	0	0	112.7	K424 A425 V426 L627 G630	G422-K424 VanDerWaalsContact C-N 3.28Å; G422-K424 PolarHBondContact O-N 3.46Å; G422-A425 PolarHBondContact O-N 3.01Å; G422-A425 VanDerWaalsContact O-N 3.1Å; G422-V426 WeakPolarHBondContact O-CG2 3.37Å; G422-V426 PolarHBondContact O-N 3.27Å; G422-L627 WeakPolarHBondContact CA-O 3.38Å; G422-G630 VanDerWaalsContact N-CA 3.28Å
423	I	92	Very high	75.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-39.1	-178.8	-71.1	174.5	0	0	0	112.5	A425 V426 L427 C462 L465 V594 L598 L627 C628	I423-A425 PolarHBondContact O-N 3.49Å; I423-V426 PolarHBondContact O-N 3.35Å; I423-L427 HydrophobicContact CG2-CD1 3.59Å; I423-L427 HydrophobicContact CG2-CG 4.02Å; I423-L427 WeakPolarHBondContact O-CB 3.46Å; I423-L427 VanDerWaalsContact O-CG 3.25Å; I423-L427 WeakPolarHBondContact O-CG 3.22Å; I423-L427 PolarHBondContact O-N 2.91Å; I423-C462 HydrophobicContact CG1-CB 4.11Å; I423-C462 HydrophobicContact CG2-CB 4.28Å; I423-L465 HydrophobicContact CG1-CD1 4.11Å; I423-V594 HydrophobicContact CD1-CB 4.45Å; I423-V594 HydrophobicContact CD1-CG1 3.27Å; I423-L598 HydrophobicContact CD1-CD1 4.42Å; I423-L598 HydrophobicContact CG2-CD2 4.41Å; I423-L627 HydrophobicContact CD1-CD1 3.81Å; I423-L627 HydrophobicContact CD1-CD2 4.08Å; I423-L627 HydrophobicContact CD1-CG 3.62Å; I423-L627 HydrophobicContact CG1-CD1 4.21Å; I423-L627 HydrophobicContact CG1-CG 4.31Å; I423-L627 WeakPolarHBondContact CG1-O 3.17Å; I423-L627 PolarHBondContact N-O 3.34Å; I423-C628 PolarHBondContact N-O 2.87Å
424	K	89.9	Confident	74.7	Confident	39 Å²	39	54.3 Å²	54.3	17%	0.17	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-47.1	177.3	-74.2	-174.3	171.7	-175	0	111.7	G422 L428 M607 V610 D611 C628	G422-K424 VanDerWaalsContact C-N 3.28Å; G422-K424 PolarHBondContact O-N 3.46Å; K424-L428 WeakPolarHBondContact O-CB 3.01Å; K424-L428 VanDerWaalsContact O-CG 3.26Å; K424-L428 WeakPolarHBondContact O-CG 3.44Å; K424-L428 PolarHBondContact O-N 2.97Å; K424-L428 VanDerWaalsContact O-N 3.13Å; K424-M607 HydrophobicContact CG-CE 4.21Å; K424-V610 HydrophobicContact CD-CG1 4.36Å; K424-V610 HydrophobicContact CG-CG1 3.74Å; K424-D611 WeakPolarHBondContact CE-OD1 2.94Å; K424-D611 IonicContact NZ-OD1 3.87Å; K424-D611 PolarHBondContact NZ-OD1 3.09Å; K424-C628 WeakPolarHBondContact CB-O 3.3Å; K424-C628 PolarHBondContact N-O 3.5Å; K424-C628 VanDerWaalsContact N-O 3.12Å
425	A	86.3	Confident	74.2	Confident	32 Å²	32	54.5 Å²	54.5	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-41.9	-179.3	0	0	0	0	0	111.4	L415 G422 I423 L428 S429	L415-A425 HydrophobicContact CD1-CB 3.7Å; L415-A425 HydrophobicContact CD2-CB 4.12Å; G422-A425 PolarHBondContact O-N 3.01Å; G422-A425 VanDerWaalsContact O-N 3.1Å; I423-A425 PolarHBondContact O-N 3.49Å; A425-L428 PolarHBondContact O-N 3.33Å; A425-S429 PolarHBondContact O-N 2.88Å
426	V	88.8	Confident	72.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-41.7	177.9	179.1	0	0	0	0	111.9	V413 L415 P421 G422 I423 L428 S429 N458 N461 C462 L465	V413-V426 HydrophobicContact CG1-CG2 4.39Å; L415-V426 HydrophobicContact CD1-CG2 4.08Å; P421-V426 HydrophobicContact CB-CG2 3.89Å; P421-V426 HydrophobicContact CG-CG2 4.29Å; G422-V426 WeakPolarHBondContact O-CG2 3.37Å; G422-V426 PolarHBondContact O-N 3.27Å; I423-V426 PolarHBondContact O-N 3.35Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 3.36Å; V426-S429 VanDerWaalsContact O-CB 3.31Å; V426-S429 WeakPolarHBondContact O-CB 3.48Å; V426-S429 PolarHBondContact O-N 3.35Å; V426-N458 PolarHBondContact O-ND2 3.29Å; V426-N461 HydrophobicContact CG1-CB 3.64Å; V426-C462 VanDerWaalsContact CG1-SG 3.54Å; V426-L465 HydrophobicContact CG2-CD1 4.06Å
427	L	87.7	Confident	71.7	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-37.7	177.9	-74.2	174.4	0	0	0	112.6	I423 S429 N458 R459 L598 M603 L606 M607	I423-L427 HydrophobicContact CG2-CD1 3.59Å; I423-L427 HydrophobicContact CG2-CG 4.02Å; I423-L427 WeakPolarHBondContact O-CB 3.46Å; I423-L427 VanDerWaalsContact O-CG 3.25Å; I423-L427 WeakPolarHBondContact O-CG 3.22Å; I423-L427 PolarHBondContact O-N 2.91Å; L427-S429 VanDerWaalsContact C-N 3.35Å; L427-N458 PolarHBondContact O-ND2 2.99Å; L427-R459 HydrophobicContact CD2-CG 3.94Å; L427-L598 HydrophobicContact CD1-CD2 4.31Å; L427-L598 HydrophobicContact CD2-CD2 3.99Å; L427-M603 HydrophobicContact CD2-CE 4.43Å; L427-L606 HydrophobicContact CD1-CD2 3.75Å; L427-L606 HydrophobicContact CD1-CG 4.2Å; L427-L606 HydrophobicContact CD2-CD2 4.24Å; L427-M607 HydrophobicContact CD1-SD 4.04Å
428	L	83.8	Confident	70.3	Confident	131 Å²	131	58.9 Å²	58.9	69%	0.686	31%	0.312	S	S	*	.	H	α-helix	trans	-84.7	-7.6	-179.7	-64.2	173.6	0	0	0	113.5	K424 A425 V426 S430 M607	K424-L428 WeakPolarHBondContact O-CB 3.01Å; K424-L428 VanDerWaalsContact O-CG 3.26Å; K424-L428 WeakPolarHBondContact O-CG 3.44Å; K424-L428 PolarHBondContact O-N 2.97Å; K424-L428 VanDerWaalsContact O-N 3.13Å; A425-L428 PolarHBondContact O-N 3.33Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 3.36Å; L428-S430 PolarHBondContact O-N 3.23Å; L428-M607 HydrophobicContact CD1-CE 4.47Å
429	S	79.5	Confident	68	Low	9 Å²	9	63.2 Å²	63.2	6%	0.063	34%	0.335	C	S	.	.			trans	-63.8	120.5	177.1	172.4	0	0	0	0	111	A425 V426 L427 V431 N458	A425-S429 PolarHBondContact O-N 2.88Å; V426-S429 VanDerWaalsContact O-CB 3.31Å; V426-S429 WeakPolarHBondContact O-CB 3.48Å; V426-S429 PolarHBondContact O-N 3.35Å; L427-S429 VanDerWaalsContact C-N 3.35Å; S429-V431 PolarHBondContact O-N 3.15Å; S429-V431 PolarHBondContact OG-N 3.37Å; S429-N458 PolarHBondContact O-ND2 3.46Å
430	S	66.4	Low	66	Low	110 Å²	110	65.4 Å²	65.4	77%	0.769	35%	0.348	S	S	*	.	S	Bend	trans	-76.7	-9.6	172.5	61.8	0	0	0	0	113.3	L428 N432	L428-S430 PolarHBondContact O-N 3.23Å; S430-N432 VanDerWaalsContact C-N 3.33Å; S430-N432 PolarHBondContact O-N 3.34Å
431	V	60.1	Low	63.7	Low	71 Å²	71	66.7 Å²	66.7	43%	0.43	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-34.5	-167.5	-177.5	0	0	0	0	112	S429	S429-V431 PolarHBondContact O-N 3.15Å; S429-V431 PolarHBondContact OG-N 3.37Å
432	N	55.4	Low	61.4	Low	39 Å²	39	69.4 Å²	69.4	21%	0.209	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	15.8	-170	-79.5	-10.1	0	0	0	115	S430 R434 Q457 N458	S430-N432 VanDerWaalsContact C-N 3.33Å; S430-N432 PolarHBondContact O-N 3.34Å; N432-R434 PolarHBondContact O-N 3.11Å; N432-Q457 HydrophobicContact CB-CB 4.28Å; N432-Q457 HydrophobicContact CB-CG 4.02Å; N432-Q457 VanDerWaalsContact O-CB 3.27Å; N432-Q457 WeakPolarHBondContact O-CB 3.46Å; N432-N458 WeakPolarHBondContact CB-OD1 3.36Å
433	D	52.9	Low	58.9	Low	92 Å²	92	72.9 Å²	72.9	49%	0.492	39%	0.392	S	S	.	.			trans	-79	63.9	-175.6	-152.3	22.2	0	0	0	113.5	C435	D433-C435 VanDerWaalsContact C-N 3.26Å; D433-C435 PolarHBondContact O-N 3.21Å
434	R	49.8	Very low	56.4	Low	223 Å²	223	74 Å²	74	84%	0.842	40%	0.401	S	S	*	.			trans	-74.4	86.2	159.5	-66.1	-175.6	-175.2	-178.4	3.1	107.2	N432 M436	N432-R434 PolarHBondContact O-N 3.11Å; R434-M436 PolarHBondContact O-N 3.43Å; R434-M436 VanDerWaalsContact O-N 3.13Å
435	C	42.3	Very low	54.1	Low	77 Å²	77	73.5 Å²	73.5	52%	0.52	40%	0.4	S	S	.	.			trans	-64.9	110.8	-178.1	-141.5	0	0	0	0	110.4	D433	D433-C435 VanDerWaalsContact C-N 3.26Å; D433-C435 PolarHBondContact O-N 3.21Å
436	M	33.5	Very low	52.2	Low	104 Å²	104	75.5 Å²	75.5	51%	0.512	42%	0.416	S	S	.	.			trans	-81.4	121.7	157.4	-70.2	-92.3	-76.1	0	0	106.2	R434 F438 N454	R434-M436 PolarHBondContact O-N 3.43Å; R434-M436 VanDerWaalsContact O-N 3.13Å; M436-F438 PolarHBondContact O-N 3.34Å; M436-N454 HydrophobicContact CB-CB 4Å; M436-N454 WeakPolarHBondContact CE-OD1 3.47Å
437	S	38	Very low	50.2	Low	94 Å²	94	82.9 Å²	82.9	66%	0.657	45%	0.449	S	S	*	.			trans	-47.5	132.2	-172.5	54.3	0	0	0	0	113.9
438	F	36.6	Very low	48.1	Very low	104 Å²	104	84.9 Å²	84.9	46%	0.456	47%	0.471	S	S	.	.			trans	-81.8	113.7	173.9	-69.5	-90.6	0	0	0	110.8	M436	M436-F438 PolarHBondContact O-N 3.34Å
439	D	32.1	Very low	46.2	Very low	112 Å²	112	83.7 Å²	83.7	60%	0.599	46%	0.462	S	S	*	.			trans	-89.6	143.8	146	-84.5	-31.6	0	0	0	107.4	P441 R451	D439-P441 VanDerWaalsContact O-CD 3.26Å; D439-P441 WeakPolarHBondContact O-CD 3.45Å; D439-R451 IonicContact OD2-NH1 2.9Å; D439-R451 PolarHBondContact OD2-NH1 3.36Å
440	E	40.5	Very low	44.4	Very low	125 Å²	125	88.1 Å²	88.1	58%	0.584	49%	0.492	S	S	*	.			trans	-54	113.4	175.7	-142.9	177.5	-169	0	0	109.1	I442 V443 A444	E440-I442 PolarHBondContact O-N 2.96Å; E440-V443 HydrophobicContact CB-CB 4.27Å; E440-V443 HydrophobicContact CB-CG2 4.05Å; E440-V443 PolarHBondContact O-N 2.98Å; E440-V443 WeakPolarHBondContact OE2-CG2 3.42Å; E440-A444 PolarHBondContact O-N 3.19Å
441	P	41.1	Very low	43.4	Very low	29 Å²	29	89.1 Å²	89.1	19%	0.188	48%	0.479	C	S	.	.	H	α-helix	trans	-59.9	-27.7	-172.3	17.8	-28.4	0	0	0	111.9	D439 L445 Y600	D439-P441 VanDerWaalsContact O-CD 3.26Å; D439-P441 WeakPolarHBondContact O-CD 3.45Å; P441-L445 WeakPolarHBondContact O-CB 3.18Å; P441-L445 VanDerWaalsContact O-CD1 3.27Å; P441-L445 WeakPolarHBondContact O-CD1 3.27Å; P441-L445 WeakPolarHBondContact O-CG 3.18Å; P441-L445 PolarHBondContact O-N 3.17Å; P441-Y600 HydrophobicContact CB-CD1 4.25Å; P441-Y600 HydrophobicContact CB-CE1 4.47Å; P441-Y600 HydrophobicContact CG-CD1 4.38Å
442	I	40.7	Very low	43	Very low	56 Å²	56	93.9 Å²	93.9	29%	0.287	50%	0.496	S	S	.	.	H	α-helix	trans	-69.7	-35.5	178.1	-57.5	177	0	0	0	111.9	E440 L445	E440-I442 PolarHBondContact O-N 2.96Å; I442-L445 WeakPolarHBondContact O-CB 3.18Å
443	V	40.4	Very low	43.1	Very low	74 Å²	74	94 Å²	94	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-78.1	-32.5	178.6	178.4	0	0	0	0	111.5	E440	E440-V443 HydrophobicContact CB-CB 4.27Å; E440-V443 HydrophobicContact CB-CG2 4.05Å; E440-V443 PolarHBondContact O-N 2.98Å; E440-V443 WeakPolarHBondContact OE2-CG2 3.42Å
444	A	39	Very low	43.4	Very low	23 Å²	23	92.6 Å²	92.6	19%	0.19	49%	0.489	C	S	.	.	H	α-helix	trans	-69.4	-33.6	172.6	0	0	0	0	0	112.4	E440 A446 K447	E440-A444 PolarHBondContact O-N 3.19Å; A444-A446 PolarHBondContact O-N 3.27Å; A444-K447 PolarHBondContact O-N 3.37Å
445	L	41.8	Very low	44.5	Very low	30 Å²	30	83.3 Å²	83.3	16%	0.157	46%	0.456	C	S	.	.	H	α-helix	trans	-57.3	-42.8	175.7	-90.2	159.5	0	0	0	112.8	P441 I442 K447 K503 F568 V572 Y600	P441-L445 WeakPolarHBondContact O-CB 3.18Å; P441-L445 VanDerWaalsContact O-CD1 3.27Å; P441-L445 WeakPolarHBondContact O-CD1 3.27Å; P441-L445 WeakPolarHBondContact O-CG 3.18Å; P441-L445 PolarHBondContact O-N 3.17Å; I442-L445 WeakPolarHBondContact O-CB 3.18Å; L445-K447 VanDerWaalsContact C-N 3.26Å; L445-K447 PolarHBondContact O-N 2.6Å; L445-K503 VanDerWaalsContact CD2-CE 3.48Å; L445-F568 HydrophobicContact CD1-CZ 4.5Å; L445-V572 HydrophobicContact CB-CG1 4Å; L445-V572 HydrophobicContact CB-CG2 4.43Å; L445-V572 HydrophobicContact CD1-CG2 3.95Å; L445-V572 HydrophobicContact CD2-CG1 4.02Å; L445-V572 HydrophobicContact CD2-CG2 3.77Å; L445-V572 HydrophobicContact CG-CG2 4.26Å; L445-Y600 HydrophobicContact CD1-CE1 4.15Å
446	A	45.4	Very low	46.2	Very low	73 Å²	73	79.8 Å²	79.8	60%	0.603	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19	-179.1	0	0	0	0	0	114.1	A444	A444-A446 PolarHBondContact O-N 3.27Å
447	K	46.3	Very low	48.4	Very low	156 Å²	156	78.6 Å²	78.6	68%	0.678	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	2.2	-175.6	-70.7	-174.3	177.7	179	0	114.5	A444 L445 E449	A444-K447 PolarHBondContact O-N 3.37Å; L445-K447 VanDerWaalsContact C-N 3.26Å; L445-K447 PolarHBondContact O-N 2.6Å; K447-E449 PolarHBondContact O-N 2.78Å
448	G	45	Very low	50.6	Low	51 Å²	51	74.3 Å²	74.3	53%	0.526	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	6.6	176.2	0	0	0	0	0	115.1
449	E	43.9	Very low	53	Low	105 Å²	105	69.9 Å²	69.9	49%	0.491	38%	0.375	S	S	.	.			trans	-85.1	116.9	174.3	-68.7	-176	-175.4	0	0	109.1	K447 R451	K447-E449 PolarHBondContact O-N 2.78Å; E449-R451 HydrophobicContact CB-CG 4.21Å; E449-R451 PolarHBondContact O-N 3Å; E449-R451 IonicContact OE2-CZ 3.32Å; E449-R451 VanDerWaalsContact OE2-CZ 3.25Å; E449-R451 IonicContact OE2-NE 2.78Å; E449-R451 PolarHBondContact OE2-NE 3.36Å; E449-R451 IonicContact OE2-NH2 2.79Å; E449-R451 PolarHBondContact OE2-NH2 2.92Å
450	C	41.9	Very low	55.5	Low	102 Å²	102	65.2 Å²	65.2	69%	0.689	35%	0.352	S	S	*	.			trans	-72.1	68.3	174.4	-160.4	0	0	0	0	109.9
451	R	45.2	Very low	57.7	Low	132 Å²	132	59.3 Å²	59.3	50%	0.498	33%	0.325	S	S	.	.			trans	-76.6	136.9	172.6	-66.3	-173.4	-176.1	-169.2	-2.4	109.3	D439 E449 I453	D439-R451 IonicContact OD2-NH1 2.9Å; D439-R451 PolarHBondContact OD2-NH1 3.36Å; E449-R451 HydrophobicContact CB-CG 4.21Å; E449-R451 PolarHBondContact O-N 3Å; E449-R451 IonicContact OE2-CZ 3.32Å; E449-R451 VanDerWaalsContact OE2-CZ 3.25Å; E449-R451 IonicContact OE2-NE 2.78Å; E449-R451 PolarHBondContact OE2-NE 3.36Å; E449-R451 IonicContact OE2-NH2 2.79Å; E449-R451 PolarHBondContact OE2-NH2 2.92Å; R451-I453 PolarHBondContact O-N 2.94Å
452	Q	51.8	Low	60.1	Low	170 Å²	170	58 Å²	58	79%	0.794	32%	0.316	S	S	*	.			trans	-52.9	135.7	167.4	-74.9	177.5	-20.2	0	0	108.7	N454	Q452-N454 PolarHBondContact O-N 3.39Å
453	I	56.4	Low	62.4	Low	43 Å²	43	55.4 Å²	55.4	22%	0.221	30%	0.303	C	S	.	.			trans	-71	102.6	172.9	-54.2	175.9	0	0	0	106.1	R451 I455 K503 L599	R451-I453 PolarHBondContact O-N 2.94Å; I453-I455 HydrophobicContact CG2-CG2 3.69Å; I453-I455 PolarHBondContact O-N 2.87Å; I453-I455 VanDerWaalsContact O-N 3.15Å; I453-K503 HydrophobicContact CD1-CD 4.21Å; I453-K503 HydrophobicContact CD1-CG 4.39Å; I453-K503 HydrophobicContact CG1-CD 4.29Å; I453-L599 HydrophobicContact CD1-CD2 4.36Å; I453-L599 HydrophobicContact CG2-CD2 4.39Å
454	N	59.6	Low	64.7	Low	62 Å²	62	52.2 Å²	52.2	33%	0.332	28%	0.283	S	S	.	.			trans	-71.7	106.3	171.5	-74.5	-17.5	0	0	0	108	M436 Q452	M436-N454 HydrophobicContact CB-CB 4Å; M436-N454 WeakPolarHBondContact CE-OD1 3.47Å; Q452-N454 PolarHBondContact O-N 3.39Å
455	I	72.2	Confident	67.2	Low	27 Å²	27	51.3 Å²	51.3	14%	0.138	28%	0.275	C	S	.	.			trans	-105.8	148.4	173.8	57.7	176.1	0	0	0	109.2	I453 R459 A460 L463 L472 L599	I453-I455 HydrophobicContact CG2-CG2 3.69Å; I453-I455 PolarHBondContact O-N 2.87Å; I453-I455 VanDerWaalsContact O-N 3.15Å; I455-R459 HydrophobicContact CB-CB 4.19Å; I455-A460 HydrophobicContact CD1-CB 3.64Å; I455-A460 HydrophobicContact CG1-CB 4.21Å; I455-L463 HydrophobicContact CD1-CD1 3.6Å; I455-L472 HydrophobicContact CD1-CD1 3.6Å; I455-L472 HydrophobicContact CD1-CD2 4.05Å; I455-L472 HydrophobicContact CD1-CG 4.49Å; I455-L599 HydrophobicContact CG2-CD2 4.11Å
456	S	78.2	Confident	69.5	Low	3 Å²	3	50.2 Å²	50.2	2%	0.021	27%	0.27	C	S	.	.			trans	-64.2	153.5	168.5	63.2	0	0	0	0	110.2	N458 R459 A460	S456-N458 PolarHBondContact O-N 2.99Å; S456-R459 PolarHBondContact O-N 3.21Å; S456-R459 PolarHBondContact OG-N 3.4Å; S456-A460 PolarHBondContact O-N 3.4Å
457	Q	80.6	Confident	71.5	Confident	79 Å²	79	48 Å²	48	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-55.3	-42.1	175.5	-171.9	64.1	40.5	0	0	110.7	N432 R459 A460 N461	N432-Q457 HydrophobicContact CB-CB 4.28Å; N432-Q457 HydrophobicContact CB-CG 4.02Å; N432-Q457 VanDerWaalsContact O-CB 3.27Å; N432-Q457 WeakPolarHBondContact O-CB 3.46Å; Q457-R459 VanDerWaalsContact C-N 3.28Å; Q457-R459 PolarHBondContact O-N 3.34Å; Q457-A460 CarbonylContact O-C 3.46Å; Q457-A460 WeakPolarHBondContact O-CA 3.22Å; Q457-A460 WeakPolarHBondContact O-CB 3.33Å; Q457-A460 PolarHBondContact O-N 3.02Å; Q457-N461 PolarHBondContact NE2-OD1 3.06Å; Q457-N461 WeakPolarHBondContact O-CB 3.5Å; Q457-N461 PolarHBondContact O-N 3.18Å; Q457-N461 PolarHBondContact O-OD1 3.3Å
458	N	84.7	Confident	73.3	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-56.4	-40.3	176.4	-68	-2.2	0	0	0	112.9	V426 L427 S429 N432 S456 N461 C462	V426-N458 PolarHBondContact O-ND2 3.29Å; L427-N458 PolarHBondContact O-ND2 2.99Å; S429-N458 PolarHBondContact O-ND2 3.46Å; N432-N458 WeakPolarHBondContact CB-OD1 3.36Å; S456-N458 PolarHBondContact O-N 2.99Å; N458-N461 PolarHBondContact O-N 2.65Å; N458-C462 PolarHBondContact O-N 3.07Å; N458-C462 PolarHBondContact O-SG 3.36Å
459	R	87.1	Confident	74.5	Confident	11 Å²	11	40.2 Å²	40.2	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-38.5	175	-76.2	-179.8	177	-147.2	-0.2	111.8	L427 I455 S456 Q457 N461 C462 L463 L598 L601	L427-R459 HydrophobicContact CD2-CG 3.94Å; I455-R459 HydrophobicContact CB-CB 4.19Å; S456-R459 PolarHBondContact O-N 3.21Å; S456-R459 PolarHBondContact OG-N 3.4Å; Q457-R459 VanDerWaalsContact C-N 3.28Å; Q457-R459 PolarHBondContact O-N 3.34Å; R459-N461 VanDerWaalsContact C-N 3.3Å; R459-N461 PolarHBondContact O-N 3.26Å; R459-C462 PolarHBondContact O-N 3.12Å; R459-L463 WeakPolarHBondContact O-CG 3.41Å; R459-L463 PolarHBondContact O-N 3.47Å; R459-L598 WeakPolarHBondContact CD-O 3.2Å; R459-L598 HydrophobicContact CG-CD2 4.37Å; R459-L598 PolarHBondContact NH1-O 3.49Å; R459-L601 PolarHBondContact NH1-O 2.96Å; R459-L601 VanDerWaalsContact NH1-O 3.14Å; R459-L601 PolarHBondContact NH2-O 2.78Å
460	A	83.7	Confident	75.6	Confident	15 Å²	15	38.2 Å²	38.2	12%	0.124	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-43.9	173.5	0	0	0	0	0	111.2	I455 S456 Q457 C462 L463 T464 L472	I455-A460 HydrophobicContact CD1-CB 3.64Å; I455-A460 HydrophobicContact CG1-CB 4.21Å; S456-A460 PolarHBondContact O-N 3.4Å; Q457-A460 CarbonylContact O-C 3.46Å; Q457-A460 WeakPolarHBondContact O-CA 3.22Å; Q457-A460 WeakPolarHBondContact O-CB 3.33Å; Q457-A460 PolarHBondContact O-N 3.02Å; A460-C462 PolarHBondContact O-N 3.41Å; A460-L463 WeakPolarHBondContact O-CB 3.44Å; A460-L463 PolarHBondContact O-N 2.96Å; A460-L463 VanDerWaalsContact O-N 3.14Å; A460-T464 PolarHBondContact O-N 3.43Å; A460-T464 PolarHBondContact O-OG1 3.33Å; A460-L472 HydrophobicContact CB-CD1 4.21Å
461	N	87.2	Confident	76.5	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-41.8	176.6	-63.2	12.9	0	0	0	111.5	L407 E411 V426 Q457 N458 R459 L463 T464 L465	L407-N461 HydrophobicContact CD1-CB 4.24Å; L407-N461 HydrophobicContact CD2-CB 4.24Å; E411-N461 PolarHBondContact OE1-OD1 3Å; E411-N461 PolarHBondContact OE2-ND2 3.2Å; E411-N461 PolarHBondContact OE2-OD1 3.28Å; V426-N461 HydrophobicContact CG1-CB 3.64Å; Q457-N461 PolarHBondContact NE2-OD1 3.06Å; Q457-N461 WeakPolarHBondContact O-CB 3.5Å; Q457-N461 PolarHBondContact O-N 3.18Å; Q457-N461 PolarHBondContact O-OD1 3.3Å; N458-N461 PolarHBondContact O-N 2.65Å; R459-N461 VanDerWaalsContact C-N 3.3Å; R459-N461 PolarHBondContact O-N 3.26Å; N461-L463 VanDerWaalsContact C-N 3.33Å; N461-L463 PolarHBondContact O-N 3.46Å; N461-T464 VanDerWaalsContact O-CB 3.3Å; N461-T464 WeakPolarHBondContact O-CB 3.46Å; N461-T464 PolarHBondContact O-N 3.11Å; N461-L465 PolarHBondContact O-N 2.9Å
462	C	90.4	Very high	77.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-34.3	174.6	-65.6	0	0	0	0	112.5	I423 V426 N458 R459 A460 T464 L465 C466 L598	I423-C462 HydrophobicContact CG1-CB 4.11Å; I423-C462 HydrophobicContact CG2-CB 4.28Å; V426-C462 VanDerWaalsContact CG1-SG 3.54Å; N458-C462 PolarHBondContact O-N 3.07Å; N458-C462 PolarHBondContact O-SG 3.36Å; R459-C462 PolarHBondContact O-N 3.12Å; A460-C462 PolarHBondContact O-N 3.41Å; C462-T464 VanDerWaalsContact C-N 3.33Å; C462-L465 WeakPolarHBondContact O-CB 3.36Å; C462-L465 PolarHBondContact O-N 3.48Å; C462-C466 PolarHBondContact O-N 3.08Å; C462-C466 VanDerWaalsContact O-N 3.12Å; C462-C466 PolarHBondContact O-SG 3.25Å; C462-L598 HydrophobicContact CB-CD1 3.49Å; C462-L598 VanDerWaalsContact CB-CD1 3.49Å; C462-L598 HydrophobicContact CB-CD2 3.58Å; C462-L598 HydrophobicContact CB-CG 4.21Å
463	L	89.5	Confident	77.8	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-38.6	172.3	-71.9	167.7	0	0	0	110.8	I455 R459 A460 N461 L465 C466 G467 W468 L472 A595 L598 L599	I455-L463 HydrophobicContact CD1-CD1 3.6Å; R459-L463 WeakPolarHBondContact O-CG 3.41Å; R459-L463 PolarHBondContact O-N 3.47Å; A460-L463 WeakPolarHBondContact O-CB 3.44Å; A460-L463 PolarHBondContact O-N 2.96Å; A460-L463 VanDerWaalsContact O-N 3.14Å; N461-L463 VanDerWaalsContact C-N 3.33Å; N461-L463 PolarHBondContact O-N 3.46Å; L463-L465 VanDerWaalsContact C-N 3.32Å; L463-L465 PolarHBondContact O-N 3.24Å; L463-C466 CarbonylContact O-C 3.53Å; L463-C466 WeakPolarHBondContact O-CA 3.24Å; L463-C466 WeakPolarHBondContact O-CB 3.47Å; L463-C466 PolarHBondContact O-N 3.48Å; L463-G467 PolarHBondContact O-N 3.06Å; L463-W468 HydrophobicContact CB-CB 4.19Å; L463-W468 HydrophobicContact CD2-CB 4.43Å; L463-W468 HydrophobicContact CD2-CE3 4.07Å; L463-W468 WeakPolarHBondContact O-CA 3.47Å; L463-W468 WeakPolarHBondContact O-CB 3.44Å; L463-W468 PolarHBondContact O-N 3.28Å; L463-L472 HydrophobicContact CB-CD1 4.36Å; L463-L472 HydrophobicContact CD1-CD1 3.94Å; L463-A595 HydrophobicContact CD2-CB 3.74Å; L463-L598 HydrophobicContact CD2-CB 4.02Å; L463-L598 HydrophobicContact CD2-CD1 4.09Å; L463-L598 HydrophobicContact CG-CB 4.3Å; L463-L598 HydrophobicContact CG-CD1 4.25Å; L463-L599 HydrophobicContact CD1-CD2 3.72Å; L463-L599 HydrophobicContact CD1-CG 4.29Å; L463-L599 HydrophobicContact CD2-CG 4.23Å
464	T	88.2	Confident	78.3	Confident	7 Å²	7	27.4 Å²	27.4	4%	0.043	15%	0.145	C	C	.	.	H	α-helix	trans	-56.9	-45.2	170.5	-64.2	0	0	0	0	111.6	T403 L407 A460 N461 C462 C466 G467 N469	T403-T464 HydrophobicContact CG2-CG2 4.07Å; T403-T464 VanDerWaalsContact CG2-O 3.31Å; T403-T464 WeakPolarHBondContact CG2-O 3.48Å; L407-T464 HydrophobicContact CD1-CG2 3.88Å; A460-T464 PolarHBondContact O-N 3.43Å; A460-T464 PolarHBondContact O-OG1 3.33Å; N461-T464 VanDerWaalsContact O-CB 3.3Å; N461-T464 WeakPolarHBondContact O-CB 3.46Å; N461-T464 PolarHBondContact O-N 3.11Å; C462-T464 VanDerWaalsContact C-N 3.33Å; T464-C466 PolarHBondContact O-N 3Å; T464-G467 PolarHBondContact O-N 3.42Å; T464-N469 HydrophobicContact CG2-CB 3.81Å; T464-N469 WeakPolarHBondContact CG2-ND2 3.33Å; T464-N469 PolarHBondContact OG1-OD1 2.85Å
465	L	91.2	Very high	78.5	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-28.3	174.2	-66.6	178	0	0	0	113.4	W400 A404 L407 I423 V426 N461 C462 L463 G467 L627	W400-L465 VanDerWaalsContact CD1-O 3.3Å; A404-L465 HydrophobicContact CB-CD2 3.69Å; L407-L465 HydrophobicContact CD2-CD1 4.27Å; L407-L465 HydrophobicContact CD2-CD2 3.63Å; L407-L465 HydrophobicContact CD2-CG 3.69Å; I423-L465 HydrophobicContact CG1-CD1 4.11Å; V426-L465 HydrophobicContact CG2-CD1 4.06Å; N461-L465 PolarHBondContact O-N 2.9Å; C462-L465 WeakPolarHBondContact O-CB 3.36Å; C462-L465 PolarHBondContact O-N 3.48Å; L463-L465 VanDerWaalsContact C-N 3.32Å; L463-L465 PolarHBondContact O-N 3.24Å; L465-G467 PolarHBondContact O-N 2.88Å; L465-L627 HydrophobicContact CB-CD1 3.92Å
466	C	91.3	Very high	78.2	Confident	7 Å²	7	34.1 Å²	34.1	5%	0.047	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.7	174.6	-59.7	0	0	0	0	113.2	C462 L463 T464 C591 A595	C462-C466 PolarHBondContact O-N 3.08Å; C462-C466 VanDerWaalsContact O-N 3.12Å; C462-C466 PolarHBondContact O-SG 3.25Å; L463-C466 CarbonylContact O-C 3.53Å; L463-C466 WeakPolarHBondContact O-CA 3.24Å; L463-C466 WeakPolarHBondContact O-CB 3.47Å; L463-C466 PolarHBondContact O-N 3.48Å; T464-C466 PolarHBondContact O-N 3Å; C466-C591 HydrophobicContact CB-CB 4.28Å; C466-A595 HydrophobicContact CB-CB 3.9Å
467	G	86.1	Confident	77.5	Confident	27 Å²	27	34.6 Å²	34.6	28%	0.278	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	11.5	-174.5	0	0	0	0	0	114.1	L463 T464 L465 V482	L463-G467 PolarHBondContact O-N 3.06Å; T464-G467 PolarHBondContact O-N 3.42Å; L465-G467 PolarHBondContact O-N 2.88Å; G467-V482 VanDerWaalsContact O-CG2 3.24Å; G467-V482 WeakPolarHBondContact O-CG2 2.96Å
468	W	84.9	Confident	76.9	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.015	19%	0.194	C	C	.	.			trans	-97.6	22	-176.9	-73.9	34.1	0	0	0	113	L463 L471 F497 I498 I501 T502 D592 A595 L599	L463-W468 HydrophobicContact CB-CB 4.19Å; L463-W468 HydrophobicContact CD2-CB 4.43Å; L463-W468 HydrophobicContact CD2-CE3 4.07Å; L463-W468 WeakPolarHBondContact O-CA 3.47Å; L463-W468 WeakPolarHBondContact O-CB 3.44Å; L463-W468 PolarHBondContact O-N 3.28Å; W468-L471 HydrophobicContact CB-CD1 3.71Å; W468-L471 HydrophobicContact CD2-CD1 3.79Å; W468-L471 HydrophobicContact CE3-CD1 4.09Å; W468-L471 HydrophobicContact CG-CD1 3.62Å; W468-F497 HydrophobicContact CZ2-CE1 4.49Å; W468-I498 HydrophobicContact CD2-CG2 4.44Å; W468-I498 HydrophobicContact CZ2-CB 4.44Å; W468-I498 HydrophobicContact CZ2-CG1 3.86Å; W468-I498 HydrophobicContact CZ2-CG2 4.31Å; W468-I501 HydrophobicContact CH2-CB 4.46Å; W468-I501 HydrophobicContact CH2-CG2 3.97Å; W468-I501 HydrophobicContact CZ3-CG2 4.19Å; W468-T502 HydrophobicContact CE3-CG2 3.65Å; W468-T502 HydrophobicContact CZ3-CG2 3.54Å; W468-D592 HydrophobicContact CZ2-CB 4.23Å; W468-D592 PolarHBondContact NE1-OD1 3.07Å; W468-A595 HydrophobicContact CD2-CB 3.41Å; W468-A595 VanDerWaalsContact CD2-CB 3.41Å; W468-A595 HydrophobicContact CE3-CB 3.68Å; W468-A595 HydrophobicContact CG-CB 3.97Å; W468-A595 HydrophobicContact CH2-CB 3.82Å; W468-A595 HydrophobicContact CZ2-CB 3.56Å; W468-A595 HydrophobicContact CZ3-CB 3.88Å; W468-L599 HydrophobicContact CE3-CD1 4.24Å; W468-L599 HydrophobicContact CZ3-CD1 3.61Å
469	N	70	Confident	76	Confident	40 Å²	40	40.3 Å²	40.3	21%	0.214	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-52.8	-172.6	-168.1	-1.4	0	0	0	113.7	T464 L471 K473	T464-N469 HydrophobicContact CG2-CB 3.81Å; T464-N469 WeakPolarHBondContact CG2-ND2 3.33Å; T464-N469 PolarHBondContact OG1-OD1 2.85Å; N469-L471 PolarHBondContact O-N 3.43Å; N469-K473 WeakPolarHBondContact OD1-CE 3.36Å; N469-K473 PolarHBondContact OD1-NZ 3.19Å
470	E	66.7	Low	75.4	Confident	62 Å²	62	40 Å²	40	29%	0.29	21%	0.209	S	C	.	.	H	α-helix	trans	-77.4	-22.6	-172.8	-67.6	-54.5	134	0	0	113.4	L472 K473 S474 D480	E470-L472 PolarHBondContact O-N 2.91Å; E470-L472 VanDerWaalsContact O-N 3.09Å; E470-K473 PolarHBondContact O-N 3.34Å; E470-K473 IonicContact OE1-NZ 3.84Å; E470-S474 PolarHBondContact O-N 2.87Å; E470-D480 HydrophobicContact CB-CB 4.46Å
471	L	61.8	Low	75.1	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-26.6	175.9	-65.6	166.9	0	0	0	112.7	W468 N469 D480 L483 I498 T502 R504	W468-L471 HydrophobicContact CB-CD1 3.71Å; W468-L471 HydrophobicContact CD2-CD1 3.79Å; W468-L471 HydrophobicContact CE3-CD1 4.09Å; W468-L471 HydrophobicContact CG-CD1 3.62Å; N469-L471 PolarHBondContact O-N 3.43Å; L471-D480 WeakPolarHBondContact CD2-OD2 3.22Å; L471-D480 WeakPolarHBondContact CG-OD2 3.17Å; L471-D480 PolarHBondContact N-OD2 2.9Å; L471-L483 HydrophobicContact CD2-CD1 3.62Å; L471-L483 HydrophobicContact CD2-CD2 4.36Å; L471-L483 HydrophobicContact CD2-CG 3.98Å; L471-I498 HydrophobicContact CD1-CG2 3.23Å; L471-I498 HydrophobicContact CD2-CG2 3.83Å; L471-I498 HydrophobicContact CG-CG2 4.19Å; L471-T502 HydrophobicContact CB-CG2 4.47Å; L471-T502 HydrophobicContact CD1-CG2 4.27Å; L471-R504 VanDerWaalsContact O-CZ 3.3Å; L471-R504 PolarHBondContact O-NE 3.34Å; L471-R504 PolarHBondContact O-NH2 2.77Å
472	L	58.4	Low	74.7	Confident	67 Å²	67	45.6 Å²	45.6	35%	0.351	24%	0.243	S	C	.	.	H	α-helix	trans	-87.7	-23.4	177.7	-64	172.3	0	0	0	112.8	I455 A460 L463 E470 R504	I455-L472 HydrophobicContact CD1-CD1 3.6Å; I455-L472 HydrophobicContact CD1-CD2 4.05Å; I455-L472 HydrophobicContact CD1-CG 4.49Å; A460-L472 HydrophobicContact CB-CD1 4.21Å; L463-L472 HydrophobicContact CB-CD1 4.36Å; L463-L472 HydrophobicContact CD1-CD1 3.94Å; E470-L472 PolarHBondContact O-N 2.91Å; E470-L472 VanDerWaalsContact O-N 3.09Å; L472-R504 PolarHBondContact O-NH2 3.44Å
473	K	65.7	Low	74.3	Confident	127 Å²	127	45.6 Å²	45.6	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-96.4	-43.1	-172.5	-62.9	178.1	-172.3	166.8	0	113.3	N469 E470	N469-K473 WeakPolarHBondContact OD1-CE 3.36Å; N469-K473 PolarHBondContact OD1-NZ 3.19Å; E470-K473 PolarHBondContact O-N 3.34Å; E470-K473 IonicContact OE1-NZ 3.84Å
474	S	65.9	Low	73.9	Confident	24 Å²	24	47.7 Å²	47.7	17%	0.168	25%	0.254	C	S	.	.			trans	-106.3	151.6	-172.5	-171.8	0	0	0	0	113.7	E470 F476 A479	E470-S474 PolarHBondContact O-N 2.87Å; S474-F476 PolarHBondContact OG-N 3.38Å; S474-A479 WeakPolarHBondContact OG-CB 3.43Å
475	S	64.7	Low	73.7	Confident	72 Å²	72	52.5 Å²	52.5	50%	0.503	28%	0.275	S	S	.	.	S	Bend	trans	-101.8	-3.6	171.7	-56.6	0	0	0	0	113.1
476	F	65.7	Low	73.4	Confident	159 Å²	159	52.5 Å²	52.5	70%	0.697	28%	0.275	S	S	*	.			trans	-103.8	134.6	-175.2	-64.7	-77.3	0	0	0	111.7	S474 A479	S474-F476 PolarHBondContact OG-N 3.38Å; F476-A479 HydrophobicContact CB-CB 4.09Å; F476-A479 WeakPolarHBondContact O-CB 3.41Å; F476-A479 PolarHBondContact O-N 3.49Å; F476-A479 VanDerWaalsContact O-N 3.15Å
477	F	64.2	Low	72.9	Confident	13 Å²	13	54.9 Å²	54.9	6%	0.057	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.3	-52	178.6	170.6	-113.4	0	0	0	113.4	A479 D480 L483 L484 F487 L507 L511	F477-A479 PolarHBondContact O-N 2.89Å; F477-D480 PolarHBondContact O-N 2.9Å; F477-D480 VanDerWaalsContact O-N 3.12Å; F477-L483 HydrophobicContact CD2-CB 4.22Å; F477-L483 HydrophobicContact CE2-CB 3.93Å; F477-L484 HydrophobicContact CE1-CD2 4.1Å; F477-L484 HydrophobicContact CZ-CD2 4.22Å; F477-F487 HydrophobicContact CE2-CB 4.41Å; F477-F487 HydrophobicContact CZ-CB 3.79Å; F477-F487 HydrophobicContact CZ-CD1 4.43Å; F477-F487 AromaticContact CZ-CD2 3.89Å; F477-F487 HydrophobicContact CZ-CD2 3.89Å; F477-F487 AromaticContact CZ-CG 3.78Å; F477-F487 HydrophobicContact CZ-CG 3.78Å; F477-L507 HydrophobicContact CB-CD1 3.37Å; F477-L507 HydrophobicContact CD2-CD1 3.85Å; F477-L507 HydrophobicContact CG-CD1 4.09Å; F477-L511 HydrophobicContact CD2-CD2 3.62Å; F477-L511 HydrophobicContact CD2-CG 3.95Å; F477-L511 HydrophobicContact CE2-CD2 3.22Å; F477-L511 HydrophobicContact CE2-CG 4.06Å; F477-L511 HydrophobicContact CZ-CD2 3.82Å
478	Y	66.8	Low	72.6	Confident	160 Å²	160	61 Å²	61	63%	0.627	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-68.8	0	-179.6	-60	-81.3	0	0	0	114.4	L484	Y478-L484 HydrophobicContact CD1-CD2 3.73Å; Y478-L484 HydrophobicContact CE1-CD2 4.4Å; Y478-L484 WeakPolarHBondContact O-CD1 3.25Å
479	A	67.1	Low	72.6	Confident	42 Å²	42	66.7 Å²	66.7	35%	0.347	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-95.2	-10.2	175.2	0	0	0	0	0	112.7	S474 F476 F477 P481	S474-A479 WeakPolarHBondContact OG-CB 3.43Å; F476-A479 HydrophobicContact CB-CB 4.09Å; F476-A479 WeakPolarHBondContact O-CB 3.41Å; F476-A479 PolarHBondContact O-N 3.49Å; F476-A479 VanDerWaalsContact O-N 3.15Å; F477-A479 PolarHBondContact O-N 2.89Å; A479-P481 WeakPolarHBondContact O-CD 3.21Å
480	D	74.1	Confident	73.1	Confident	4 Å²	4	66 Å²	66	2%	0.021	33%	0.334	C	S	.	.			trans	-102	108.9	179.7	-168	-58.3	0	0	0	110.8	E470 L471 F477 V482 L483 L484	E470-D480 HydrophobicContact CB-CB 4.46Å; L471-D480 WeakPolarHBondContact CD2-OD2 3.22Å; L471-D480 WeakPolarHBondContact CG-OD2 3.17Å; L471-D480 PolarHBondContact N-OD2 2.9Å; F477-D480 PolarHBondContact O-N 2.9Å; F477-D480 VanDerWaalsContact O-N 3.12Å; D480-V482 PolarHBondContact O-N 2.85Å; D480-V482 WeakPolarHBondContact OD1-CA 3.38Å; D480-V482 WeakPolarHBondContact OD1-CB 3.49Å; D480-V482 PolarHBondContact OD1-N 2.87Å; D480-L483 HydrophobicContact CB-CB 4.09Å; D480-L483 HydrophobicContact CB-CD1 4.01Å; D480-L483 HydrophobicContact CB-CG 4.1Å; D480-L483 PolarHBondContact O-N 2.98Å; D480-L483 PolarHBondContact OD1-N 2.94Å; D480-L484 WeakPolarHBondContact O-CB 3.37Å; D480-L484 WeakPolarHBondContact O-CG 3.4Å; D480-L484 PolarHBondContact O-N 3.43Å
481	P	76.1	Confident	74	Confident	84 Å²	84	65.2 Å²	65.2	55%	0.545	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-29.7	-178.2	-21.4	32.7	0	0	0	113.6	A479 K485	A479-P481 WeakPolarHBondContact O-CD 3.21Å; P481-K485 VanDerWaalsContact O-CB 3.26Å; P481-K485 WeakPolarHBondContact O-CB 3.17Å; P481-K485 PolarHBondContact O-N 2.72Å
482	V	79.6	Confident	75.1	Confident	51 Å²	51	66.6 Å²	66.6	31%	0.309	34%	0.338	S	S	.	.	H	α-helix	trans	-73.7	-46.9	-179.2	178	0	0	0	0	109.8	G467 D480 L484 K485 L486	G467-V482 VanDerWaalsContact O-CG2 3.24Å; G467-V482 WeakPolarHBondContact O-CG2 2.96Å; D480-V482 PolarHBondContact O-N 2.85Å; D480-V482 WeakPolarHBondContact OD1-CA 3.38Å; D480-V482 WeakPolarHBondContact OD1-CB 3.49Å; D480-V482 PolarHBondContact OD1-N 2.87Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 3.3Å; V482-K485 PolarHBondContact O-N 3Å; V482-L486 HydrophobicContact CG1-CD1 4.2Å; V482-L486 VanDerWaalsContact O-CG 3.3Å; V482-L486 WeakPolarHBondContact O-CG 3.22Å; V482-L486 PolarHBondContact O-N 2.94Å
483	L	81.7	Confident	76.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66	-37	176.7	-64.2	179.3	0	0	0	112.3	L471 F477 D480 F487 A495 I498 T499 L507	L471-L483 HydrophobicContact CD2-CD1 3.62Å; L471-L483 HydrophobicContact CD2-CD2 4.36Å; L471-L483 HydrophobicContact CD2-CG 3.98Å; F477-L483 HydrophobicContact CD2-CB 4.22Å; F477-L483 HydrophobicContact CE2-CB 3.93Å; D480-L483 HydrophobicContact CB-CB 4.09Å; D480-L483 HydrophobicContact CB-CD1 4.01Å; D480-L483 HydrophobicContact CB-CG 4.1Å; D480-L483 PolarHBondContact O-N 2.98Å; D480-L483 PolarHBondContact OD1-N 2.94Å; L483-F487 VanDerWaalsContact O-CB 3.28Å; L483-F487 WeakPolarHBondContact O-CB 3.22Å; L483-F487 PolarHBondContact O-N 3.39Å; L483-A495 HydrophobicContact CD2-CB 4Å; L483-I498 HydrophobicContact CD2-CB 4.29Å; L483-I498 HydrophobicContact CD2-CG2 4.12Å; L483-T499 HydrophobicContact CD1-CG2 3.53Å; L483-T499 HydrophobicContact CD2-CG2 3.91Å; L483-T499 HydrophobicContact CG-CG2 4.41Å; L483-L507 HydrophobicContact CD1-CD1 4.14Å; L483-L507 HydrophobicContact CD1-CD2 3.55Å; L483-L507 HydrophobicContact CD1-CG 4.05Å
484	L	81.7	Confident	77.5	Confident	45 Å²	45	60.7 Å²	60.7	24%	0.236	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-48.5	172.6	-81	168.2	0	0	0	111.5	F477 Y478 D480 V482 F487 E488	F477-L484 HydrophobicContact CE1-CD2 4.1Å; F477-L484 HydrophobicContact CZ-CD2 4.22Å; Y478-L484 HydrophobicContact CD1-CD2 3.73Å; Y478-L484 HydrophobicContact CE1-CD2 4.4Å; Y478-L484 WeakPolarHBondContact O-CD1 3.25Å; D480-L484 WeakPolarHBondContact O-CB 3.37Å; D480-L484 WeakPolarHBondContact O-CG 3.4Å; D480-L484 PolarHBondContact O-N 3.43Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 3.3Å; L484-F487 WeakPolarHBondContact O-CB 3.49Å; L484-F487 PolarHBondContact O-N 3.44Å; L484-E488 WeakPolarHBondContact O-CG 3.26Å; L484-E488 PolarHBondContact O-N 3.38Å
485	K	83.7	Confident	78.5	Confident	109 Å²	109	59.6 Å²	59.6	47%	0.474	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-45.8	178.3	-178	178.9	171.7	-176.5	0	111.9	P481 V482 F487 E488 E489	P481-K485 VanDerWaalsContact O-CB 3.26Å; P481-K485 WeakPolarHBondContact O-CB 3.17Å; P481-K485 PolarHBondContact O-N 2.72Å; V482-K485 PolarHBondContact O-N 3Å; K485-F487 VanDerWaalsContact C-N 3.26Å; K485-F487 PolarHBondContact O-N 3.45Å; K485-E488 PolarHBondContact O-N 2.87Å; K485-E489 WeakPolarHBondContact CE-OE1 3.26Å; K485-E489 HydrophobicContact CG-CG 4.41Å; K485-E489 IonicContact NZ-OE1 2.68Å; K485-E489 WeakPolarHBondContact O-CB 3.23Å; K485-E489 WeakPolarHBondContact O-CG 3.45Å; K485-E489 PolarHBondContact O-N 3.36Å
486	L	85.7	Confident	79.4	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-36.8	176.9	-70.2	174.9	0	0	0	112	V482 G490 D491 R494 A495 I498	V482-L486 HydrophobicContact CG1-CD1 4.2Å; V482-L486 VanDerWaalsContact O-CG 3.3Å; V482-L486 WeakPolarHBondContact O-CG 3.22Å; V482-L486 PolarHBondContact O-N 2.94Å; L486-G490 PolarHBondContact O-N 2.92Å; L486-G490 VanDerWaalsContact O-N 3.09Å; L486-D491 HydrophobicContact CD2-CB 4.1Å; L486-D491 PolarHBondContact O-N 2.68Å; L486-R494 HydrophobicContact CD1-CB 4.4Å; L486-R494 HydrophobicContact CD1-CG 3.92Å; L486-R494 HydrophobicContact CD2-CG 4.32Å; L486-A495 HydrophobicContact CB-CB 4.16Å; L486-A495 HydrophobicContact CD1-CB 4.29Å; L486-I498 HydrophobicContact CD1-CD1 3.66Å
487	F	79.9	Confident	80.4	Confident	56 Å²	56	48.7 Å²	48.7	25%	0.246	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-42.9	175.4	-173.5	-85.8	0	0	0	111.9	F477 L483 L484 K485 G490 F492 L511 E514	F477-F487 HydrophobicContact CE2-CB 4.41Å; F477-F487 HydrophobicContact CZ-CB 3.79Å; F477-F487 HydrophobicContact CZ-CD1 4.43Å; F477-F487 AromaticContact CZ-CD2 3.89Å; F477-F487 HydrophobicContact CZ-CD2 3.89Å; F477-F487 AromaticContact CZ-CG 3.78Å; F477-F487 HydrophobicContact CZ-CG 3.78Å; L483-F487 VanDerWaalsContact O-CB 3.28Å; L483-F487 WeakPolarHBondContact O-CB 3.22Å; L483-F487 PolarHBondContact O-N 3.39Å; L484-F487 WeakPolarHBondContact O-CB 3.49Å; L484-F487 PolarHBondContact O-N 3.44Å; K485-F487 VanDerWaalsContact C-N 3.26Å; K485-F487 PolarHBondContact O-N 3.45Å; F487-G490 PolarHBondContact O-N 3.4Å; F487-F492 AromaticContact CD2-CD1 3.82Å; F487-F492 HydrophobicContact CD2-CD1 3.82Å; F487-F492 AromaticContact CD2-CE1 3.47Å; F487-F492 HydrophobicContact CD2-CE1 3.47Å; F487-F492 VanDerWaalsContact CD2-CE1 3.47Å; F487-F492 HydrophobicContact CE2-CD1 4.06Å; F487-F492 AromaticContact CE2-CE1 3.49Å; F487-F492 HydrophobicContact CE2-CE1 3.49Å; F487-F492 VanDerWaalsContact CE2-CE1 3.49Å; F487-F492 HydrophobicContact CG-CE1 4.02Å; F487-F492 HydrophobicContact CZ-CE1 4.06Å; F487-L511 HydrophobicContact CD2-CD2 4.11Å; F487-E514 HydrophobicContact CE2-CB 4.04Å; F487-E514 HydrophobicContact CE2-CG 3.76Å; F487-E514 HydrophobicContact CZ-CB 4.29Å; F487-E514 HydrophobicContact CZ-CG 3.52Å
488	E	81.1	Confident	81.5	Confident	157 Å²	157	48.1 Å²	48.1	73%	0.734	24%	0.241	S	C	*	.	H	α-helix	trans	-65.2	-37.2	175.3	-72.6	177.5	175.8	0	0	112.7	L484 K485 G490	L484-E488 WeakPolarHBondContact O-CG 3.26Å; L484-E488 PolarHBondContact O-N 3.38Å; K485-E488 PolarHBondContact O-N 2.87Å; E488-G490 PolarHBondContact O-N 3.1Å
489	E	84.3	Confident	82.2	Confident	122 Å²	122	40.5 Å²	40.5	57%	0.57	21%	0.211	S	C	*	.	H	α-helix	trans	-76	-10.4	176	-70.8	175.7	165.2	0	0	112.9	K485	K485-E489 WeakPolarHBondContact CE-OE1 3.26Å; K485-E489 HydrophobicContact CG-CG 4.41Å; K485-E489 IonicContact NZ-OE1 2.68Å; K485-E489 WeakPolarHBondContact O-CB 3.23Å; K485-E489 WeakPolarHBondContact O-CG 3.45Å; K485-E489 PolarHBondContact O-N 3.36Å
490	G	81.2	Confident	82.8	Confident	25 Å²	25	38.9 Å²	38.9	26%	0.258	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	15.9	-179.1	0	0	0	0	0	114.8	L486 F487 E488 F492	L486-G490 PolarHBondContact O-N 2.92Å; L486-G490 VanDerWaalsContact O-N 3.09Å; F487-G490 PolarHBondContact O-N 3.4Å; E488-G490 PolarHBondContact O-N 3.1Å; G490-F492 VanDerWaalsContact C-N 3.28Å; G490-F492 WeakPolarHBondContact O-CD2 3.4Å; G490-F492 PolarHBondContact O-N 2.99Å; G490-F492 VanDerWaalsContact O-N 3.16Å
491	D	85.4	Confident	83	Confident	47 Å²	47	38.7 Å²	38.7	25%	0.251	20%	0.197	S	C	.	.			trans	-88.4	64.7	176	-169.1	1.8	0	0	0	110.7	L486 R494 A495	L486-D491 HydrophobicContact CD2-CB 4.1Å; L486-D491 PolarHBondContact O-N 2.68Å; D491-R494 HydrophobicContact CB-CB 4.49Å; D491-R494 VanDerWaalsContact CG-CB 3.4Å; D491-R494 WeakPolarHBondContact OD1-CB 3.3Å; D491-R494 PolarHBondContact OD1-N 2.77Å; D491-R494 WeakPolarHBondContact OD2-CB 3.42Å; D491-R494 WeakPolarHBondContact OD2-CD 3.27Å; D491-A495 PolarHBondContact O-N 3.23Å
492	F	83.9	Confident	83.1	Confident	31 Å²	31	35.5 Å²	35.5	14%	0.136	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-39	-174.6	-58.2	-73.3	0	0	0	112	F487 G490 R494 A495 L496 Q515	F487-F492 AromaticContact CD2-CD1 3.82Å; F487-F492 HydrophobicContact CD2-CD1 3.82Å; F487-F492 AromaticContact CD2-CE1 3.47Å; F487-F492 HydrophobicContact CD2-CE1 3.47Å; F487-F492 VanDerWaalsContact CD2-CE1 3.47Å; F487-F492 HydrophobicContact CE2-CD1 4.06Å; F487-F492 AromaticContact CE2-CE1 3.49Å; F487-F492 HydrophobicContact CE2-CE1 3.49Å; F487-F492 VanDerWaalsContact CE2-CE1 3.49Å; F487-F492 HydrophobicContact CG-CE1 4.02Å; F487-F492 HydrophobicContact CZ-CE1 4.06Å; G490-F492 VanDerWaalsContact C-N 3.28Å; G490-F492 WeakPolarHBondContact O-CD2 3.4Å; G490-F492 PolarHBondContact O-N 2.99Å; G490-F492 VanDerWaalsContact O-N 3.16Å; F492-R494 VanDerWaalsContact C-N 3.29Å; F492-R494 PolarHBondContact O-N 3.37Å; F492-A495 PolarHBondContact O-N 2.91Å; F492-L496 WeakPolarHBondContact O-CB 3.42Å; F492-L496 WeakPolarHBondContact O-CG 3.44Å; F492-L496 PolarHBondContact O-N 3.31Å; F492-Q515 VanDerWaalsContact CG-OE1 3.32Å; F492-Q515 VanDerWaalsContact CZ-OE1 3.31Å
493	E	86.2	Confident	82.7	Confident	15 Å²	15	35.5 Å²	35.5	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-38.5	-177.8	-65.3	90.5	152.1	0	0	111.7	F497 I526 N559 L562	E493-F497 WeakPolarHBondContact O-CB 3.39Å; E493-F497 PolarHBondContact O-N 3.17Å; E493-I526 HydrophobicContact CG-CD1 4.29Å; E493-N559 VanDerWaalsContact CB-ND2 3.33Å; E493-N559 WeakPolarHBondContact CB-ND2 3.27Å; E493-N559 HydrophobicContact CG-CB 4.3Å; E493-N559 WeakPolarHBondContact CG-ND2 3.3Å; E493-L562 HydrophobicContact CB-CD2 4.26Å; E493-L562 HydrophobicContact CB-CG 4.1Å; E493-L562 HydrophobicContact CG-CD1 3.83Å; E493-L562 HydrophobicContact CG-CD2 4.16Å; E493-L562 HydrophobicContact CG-CG 3.84Å
494	R	89.2	Confident	82.3	Confident	55 Å²	55	38.3 Å²	38.3	21%	0.208	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-44.9	173.2	-176	173.5	-176.3	-156.5	-2.3	112.2	L486 D491 F492 L496 F497 I498 Y561 D592	L486-R494 HydrophobicContact CD1-CB 4.4Å; L486-R494 HydrophobicContact CD1-CG 3.92Å; L486-R494 HydrophobicContact CD2-CG 4.32Å; D491-R494 HydrophobicContact CB-CB 4.49Å; D491-R494 VanDerWaalsContact CG-CB 3.4Å; D491-R494 WeakPolarHBondContact OD1-CB 3.3Å; D491-R494 PolarHBondContact OD1-N 2.77Å; D491-R494 WeakPolarHBondContact OD2-CB 3.42Å; D491-R494 WeakPolarHBondContact OD2-CD 3.27Å; F492-R494 VanDerWaalsContact C-N 3.29Å; F492-R494 PolarHBondContact O-N 3.37Å; R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 2.93Å; R494-F497 WeakPolarHBondContact O-CB 3.39Å; R494-F497 PolarHBondContact O-N 3.05Å; R494-F497 VanDerWaalsContact O-N 3.15Å; R494-I498 HydrophobicContact CG-CD1 4.05Å; R494-I498 VanDerWaalsContact O-CG1 3.29Å; R494-I498 WeakPolarHBondContact O-CG1 3.34Å; R494-I498 PolarHBondContact O-N 2.83Å; R494-Y561 HydrophobicContact CB-CD1 4.34Å; R494-Y561 HydrophobicContact CB-CD2 4.03Å; R494-Y561 HydrophobicContact CB-CE1 4.2Å; R494-Y561 HydrophobicContact CB-CE2 3.89Å; R494-Y561 HydrophobicContact CB-CG 4.25Å; R494-Y561 WeakPolarHBondContact CD-OH 3.5Å; R494-Y561 HydrophobicContact CG-CD1 4.26Å; R494-Y561 HydrophobicContact CG-CD2 4.49Å; R494-Y561 HydrophobicContact CG-CE1 3.7Å; R494-Y561 HydrophobicContact CG-CE2 3.98Å; R494-Y561 PolarHBondContact NE-OH 2.86Å; R494-D592 IonicContact CZ-OD2 3.41Å; R494-D592 VanDerWaalsContact CZ-OD2 3.23Å; R494-D592 IonicContact NE-OD2 2.87Å; R494-D592 PolarHBondContact NE-OD2 2.8Å; R494-D592 IonicContact NH2-OD1 3.36Å; R494-D592 IonicContact NH2-OD2 3.62Å; R494-D592 PolarHBondContact NH2-OD2 3.42Å
495	A	86.1	Confident	81.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-41.4	176.4	0	0	0	0	0	112	L483 L486 D491 F492 I498 T499 L511	L483-A495 HydrophobicContact CD2-CB 4Å; L486-A495 HydrophobicContact CB-CB 4.16Å; L486-A495 HydrophobicContact CD1-CB 4.29Å; D491-A495 PolarHBondContact O-N 3.23Å; F492-A495 PolarHBondContact O-N 2.91Å; A495-I498 PolarHBondContact O-N 2.73Å; A495-T499 WeakPolarHBondContact O-CG2 3.46Å; A495-T499 PolarHBondContact O-N 3.23Å; A495-T499 VanDerWaalsContact O-N 3.07Å; A495-T499 PolarHBondContact O-OG1 3.12Å; A495-L511 HydrophobicContact CB-CD1 4.16Å
496	L	84.5	Confident	81.3	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-41.5	173.8	-70.6	174.2	0	0	0	111.7	F492 R494 T499 A500 F508 L511 L512 I526 M530	F492-L496 WeakPolarHBondContact O-CB 3.42Å; F492-L496 WeakPolarHBondContact O-CG 3.44Å; F492-L496 PolarHBondContact O-N 3.31Å; R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 2.93Å; L496-T499 PolarHBondContact O-N 3.09Å; L496-T499 PolarHBondContact O-OG1 3.49Å; L496-A500 VanDerWaalsContact O-CB 3.25Å; L496-A500 WeakPolarHBondContact O-CB 3.32Å; L496-A500 PolarHBondContact O-N 2.79Å; L496-F508 HydrophobicContact CD2-CD2 4.29Å; L496-F508 HydrophobicContact CD2-CE2 4.36Å; L496-L511 HydrophobicContact CD2-CB 3.82Å; L496-L511 HydrophobicContact CD2-CD1 4.36Å; L496-L512 HydrophobicContact CD2-CD2 4.38Å; L496-L512 HydrophobicContact CD2-CG 4.24Å; L496-I526 HydrophobicContact CD1-CG2 3.75Å; L496-M530 HydrophobicContact CB-CE 3.83Å; L496-M530 HydrophobicContact CD1-CE 3.42Å; L496-M530 VanDerWaalsContact CD1-CE 3.42Å; L496-M530 HydrophobicContact CD1-SD 4.23Å; L496-M530 HydrophobicContact CD2-CE 3.28Å; L496-M530 HydrophobicContact CG-CE 3.63Å
497	F	86.7	Confident	80.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-52.9	174.8	169.8	-90.3	0	0	0	111.7	W468 E493 R494 T499 A500 I501 Y561 A564 L565 D592 M596	W468-F497 HydrophobicContact CZ2-CE1 4.49Å; E493-F497 WeakPolarHBondContact O-CB 3.39Å; E493-F497 PolarHBondContact O-N 3.17Å; R494-F497 WeakPolarHBondContact O-CB 3.39Å; R494-F497 PolarHBondContact O-N 3.05Å; R494-F497 VanDerWaalsContact O-N 3.15Å; F497-T499 VanDerWaalsContact C-N 3.32Å; F497-T499 PolarHBondContact O-N 3.35Å; F497-A500 PolarHBondContact O-N 2.93Å; F497-I501 HydrophobicContact CD1-CG1 4.32Å; F497-I501 HydrophobicContact CD2-CG1 3.89Å; F497-I501 HydrophobicContact CE1-CG1 4.1Å; F497-I501 HydrophobicContact CE2-CD1 4Å; F497-I501 HydrophobicContact CE2-CG1 3.63Å; F497-I501 HydrophobicContact CG-CG1 4.22Å; F497-I501 HydrophobicContact CZ-CD1 4.35Å; F497-I501 HydrophobicContact CZ-CG1 3.75Å; F497-I501 WeakPolarHBondContact O-CB 3.43Å; F497-I501 WeakPolarHBondContact O-CG1 3.13Å; F497-I501 PolarHBondContact O-N 3.47Å; F497-Y561 HydrophobicContact CB-CD1 3.73Å; F497-Y561 HydrophobicContact CB-CG 4.27Å; F497-Y561 AromaticContact CD1-CD1 3.64Å; F497-Y561 HydrophobicContact CD1-CD1 3.64Å; F497-Y561 AromaticContact CD1-CE1 3.98Å; F497-Y561 HydrophobicContact CD1-CE1 3.98Å; F497-Y561 HydrophobicContact CD2-CD1 4.09Å; F497-Y561 HydrophobicContact CE1-CD1 4.25Å; F497-Y561 HydrophobicContact CE1-CE1 4.38Å; F497-Y561 AromaticContact CG-CD1 3.56Å; F497-Y561 HydrophobicContact CG-CD1 3.56Å; F497-Y561 HydrophobicContact CG-CE1 4.36Å; F497-Y561 HydrophobicContact CG-CG 4.45Å; F497-A564 HydrophobicContact CD2-CB 3.99Å; F497-A564 HydrophobicContact CE2-CB 3.58Å; F497-L565 HydrophobicContact CB-CD1 4.32Å; F497-L565 HydrophobicContact CB-CD2 4.35Å; F497-L565 HydrophobicContact CB-CG 4.24Å; F497-L565 HydrophobicContact CD2-CD2 3.69Å; F497-L565 HydrophobicContact CD2-CG 3.82Å; F497-L565 HydrophobicContact CE2-CD2 4.42Å; F497-L565 HydrophobicContact CG-CD2 4.32Å; F497-L565 HydrophobicContact CG-CG 4.48Å; F497-D592 HydrophobicContact CE1-CB 4.23Å; F497-M596 HydrophobicContact CE2-SD 4.28Å; F497-M596 HydrophobicContact CZ-SD 3.81Å
498	I	86.2	Confident	80.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-46.2	-179	-68.7	169.8	0	0	0	110.8	W468 L471 L483 L486 R494 A495 T502	W468-I498 HydrophobicContact CD2-CG2 4.44Å; W468-I498 HydrophobicContact CZ2-CB 4.44Å; W468-I498 HydrophobicContact CZ2-CG1 3.86Å; W468-I498 HydrophobicContact CZ2-CG2 4.31Å; L471-I498 HydrophobicContact CD1-CG2 3.23Å; L471-I498 HydrophobicContact CD2-CG2 3.83Å; L471-I498 HydrophobicContact CG-CG2 4.19Å; L483-I498 HydrophobicContact CD2-CB 4.29Å; L483-I498 HydrophobicContact CD2-CG2 4.12Å; L486-I498 HydrophobicContact CD1-CD1 3.66Å; R494-I498 HydrophobicContact CG-CD1 4.05Å; R494-I498 VanDerWaalsContact O-CG1 3.29Å; R494-I498 WeakPolarHBondContact O-CG1 3.34Å; R494-I498 PolarHBondContact O-N 2.83Å; A495-I498 PolarHBondContact O-N 2.73Å; I498-T502 WeakPolarHBondContact O-CB 3.29Å; I498-T502 VanDerWaalsContact O-CG2 3.27Å; I498-T502 WeakPolarHBondContact O-CG2 3.42Å; I498-T502 PolarHBondContact O-N 2.89Å; I498-T502 PolarHBondContact O-OG1 3.03Å
499	T	81	Confident	80.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-73.2	-32.2	-176.8	53.2	0	0	0	0	113.7	L483 A495 L496 F497 T502 K503 R504 L507 L511	L483-T499 HydrophobicContact CD1-CG2 3.53Å; L483-T499 HydrophobicContact CD2-CG2 3.91Å; L483-T499 HydrophobicContact CG-CG2 4.41Å; A495-T499 WeakPolarHBondContact O-CG2 3.46Å; A495-T499 PolarHBondContact O-N 3.23Å; A495-T499 VanDerWaalsContact O-N 3.07Å; A495-T499 PolarHBondContact O-OG1 3.12Å; L496-T499 PolarHBondContact O-N 3.09Å; L496-T499 PolarHBondContact O-OG1 3.49Å; F497-T499 VanDerWaalsContact C-N 3.32Å; F497-T499 PolarHBondContact O-N 3.35Å; T499-T502 WeakPolarHBondContact CA-OG1 3.5Å; T499-T502 PolarHBondContact O-OG1 3.32Å; T499-K503 PolarHBondContact O-N 2.84Å; T499-R504 PolarHBondContact O-N 3.44Å; T499-L507 HydrophobicContact CG2-CD2 3.75Å; T499-L507 HydrophobicContact CG2-CG 3.67Å; T499-L511 HydrophobicContact CG2-CD1 3.63Å
500	A	79.8	Confident	80	Confident	8 Å²	8	31.9 Å²	31.9	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-69.7	-48.3	172.2	0	0	0	0	0	112	L496 F497 T502 K503 F508 L565 F569	L496-A500 VanDerWaalsContact O-CB 3.25Å; L496-A500 WeakPolarHBondContact O-CB 3.32Å; L496-A500 PolarHBondContact O-N 2.79Å; F497-A500 PolarHBondContact O-N 2.93Å; A500-T502 VanDerWaalsContact C-N 3.27Å; A500-T502 PolarHBondContact O-N 2.96Å; A500-K503 PolarHBondContact O-N 3.16Å; A500-F508 HydrophobicContact CB-CD2 3.89Å; A500-F508 HydrophobicContact CB-CE2 3.63Å; A500-F508 HydrophobicContact CB-CZ 4.49Å; A500-L565 HydrophobicContact CB-CD1 4.4Å; A500-L565 HydrophobicContact CB-CD2 3.63Å; A500-F569 HydrophobicContact CB-CE2 4.23Å; A500-F569 HydrophobicContact CB-CZ 4.42Å
501	I	79.6	Confident	79.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.1	-32.2	-179.3	-67.2	-65.6	0	0	0	111.2	W468 F497 K503 L565 F568 M596 L599 Y600	W468-I501 HydrophobicContact CH2-CB 4.46Å; W468-I501 HydrophobicContact CH2-CG2 3.97Å; W468-I501 HydrophobicContact CZ3-CG2 4.19Å; F497-I501 HydrophobicContact CD1-CG1 4.32Å; F497-I501 HydrophobicContact CD2-CG1 3.89Å; F497-I501 HydrophobicContact CE1-CG1 4.1Å; F497-I501 HydrophobicContact CE2-CD1 4Å; F497-I501 HydrophobicContact CE2-CG1 3.63Å; F497-I501 HydrophobicContact CG-CG1 4.22Å; F497-I501 HydrophobicContact CZ-CD1 4.35Å; F497-I501 HydrophobicContact CZ-CG1 3.75Å; F497-I501 WeakPolarHBondContact O-CB 3.43Å; F497-I501 WeakPolarHBondContact O-CG1 3.13Å; F497-I501 PolarHBondContact O-N 3.47Å; I501-K503 VanDerWaalsContact C-N 3.28Å; I501-K503 PolarHBondContact O-N 2.9Å; I501-L565 HydrophobicContact CD1-CD2 4.04Å; I501-L565 HydrophobicContact CG1-CD2 3.95Å; I501-F568 HydrophobicContact CD1-CB 4.04Å; I501-F568 HydrophobicContact CD1-CD1 3.59Å; I501-F568 HydrophobicContact CD1-CD2 3.81Å; I501-F568 HydrophobicContact CD1-CE1 3.95Å; I501-F568 HydrophobicContact CD1-CE2 4.15Å; I501-F568 HydrophobicContact CD1-CG 3.52Å; I501-F568 HydrophobicContact CD1-CZ 4.21Å; I501-M596 HydrophobicContact CD1-SD 4.44Å; I501-M596 HydrophobicContact CG2-CB 4.5Å; I501-M596 HydrophobicContact CG2-CG 4.08Å; I501-L599 HydrophobicContact CG2-CD1 4.14Å; I501-Y600 HydrophobicContact CG2-CD2 4.49Å; I501-Y600 HydrophobicContact CG2-CE2 3.71Å; I501-Y600 PolarHBondContact O-OH 2.62Å
502	T	77.5	Confident	79.4	Confident	18 Å²	18	30.1 Å²	30.1	11%	0.11	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.1	173	54.8	0	0	0	0	114.2	W468 L471 I498 T499 A500 R504 L599	W468-T502 HydrophobicContact CE3-CG2 3.65Å; W468-T502 HydrophobicContact CZ3-CG2 3.54Å; L471-T502 HydrophobicContact CB-CG2 4.47Å; L471-T502 HydrophobicContact CD1-CG2 4.27Å; I498-T502 WeakPolarHBondContact O-CB 3.29Å; I498-T502 VanDerWaalsContact O-CG2 3.27Å; I498-T502 WeakPolarHBondContact O-CG2 3.42Å; I498-T502 PolarHBondContact O-N 2.89Å; I498-T502 PolarHBondContact O-OG1 3.03Å; T499-T502 WeakPolarHBondContact CA-OG1 3.5Å; T499-T502 PolarHBondContact O-OG1 3.32Å; A500-T502 VanDerWaalsContact C-N 3.27Å; A500-T502 PolarHBondContact O-N 2.96Å; T502-R504 PolarHBondContact O-N 3.09Å; T502-L599 HydrophobicContact CG2-CD1 4.32Å
503	K	71	Confident	79	Confident	50 Å²	50	31.3 Å²	31.3	22%	0.217	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	26.3	-177.8	-55.6	-176.9	-178.2	179.5	0	114.7	L445 I453 T499 A500 I501 I505	L445-K503 VanDerWaalsContact CD2-CE 3.48Å; I453-K503 HydrophobicContact CD1-CD 4.21Å; I453-K503 HydrophobicContact CD1-CG 4.39Å; I453-K503 HydrophobicContact CG1-CD 4.29Å; T499-K503 PolarHBondContact O-N 2.84Å; A500-K503 PolarHBondContact O-N 3.16Å; I501-K503 VanDerWaalsContact C-N 3.28Å; I501-K503 PolarHBondContact O-N 2.9Å; K503-I505 PolarHBondContact O-N 2.81Å
504	R	73.7	Confident	78.6	Confident	59 Å²	59	33.2 Å²	33.2	22%	0.223	17%	0.171	C	C	.	.			trans	-82.7	69.1	175.9	-68.2	-71.1	-164.6	178.4	-0.6	110.4	L471 L472 T499 T502 P506 L507 F508	L471-R504 VanDerWaalsContact O-CZ 3.3Å; L471-R504 PolarHBondContact O-NE 3.34Å; L471-R504 PolarHBondContact O-NH2 2.77Å; L472-R504 PolarHBondContact O-NH2 3.44Å; T499-R504 PolarHBondContact O-N 3.44Å; T502-R504 PolarHBondContact O-N 3.09Å; R504-P506 VanDerWaalsContact C-CD 3.4Å; R504-P506 VanDerWaalsContact C-N 3.33Å; R504-L507 HydrophobicContact CB-CB 3.87Å; R504-L507 HydrophobicContact CB-CD2 4.11Å; R504-L507 HydrophobicContact CG-CD2 4.49Å; R504-L507 WeakPolarHBondContact O-CB 3.42Å; R504-L507 PolarHBondContact O-N 2.98Å; R504-F508 WeakPolarHBondContact O-CB 3.38Å; R504-F508 PolarHBondContact O-N 3.45Å
505	I	71.6	Confident	77.9	Confident	63 Å²	63	30.9 Å²	30.9	32%	0.323	16%	0.162	S	C	.	.	H	α-helix	trans	-51.9	-42.1	-177.5	-57.6	177	0	0	0	113.2	K503 L507 F508 R509	K503-I505 PolarHBondContact O-N 2.81Å; I505-L507 VanDerWaalsContact C-N 3.33Å; I505-L507 PolarHBondContact O-N 3.04Å; I505-F508 PolarHBondContact O-N 3.4Å; I505-R509 HydrophobicContact CG2-CG 4.32Å; I505-R509 WeakPolarHBondContact O-CB 3.5Å; I505-R509 VanDerWaalsContact O-CG 3.28Å; I505-R509 WeakPolarHBondContact O-CG 3.47Å; I505-R509 PolarHBondContact O-N 2.98Å
506	P	73.3	Confident	77.1	Confident	92 Å²	92	33 Å²	33	60%	0.597	18%	0.18	S	C	*	.	H	α-helix	trans	-60.9	-42.7	178.1	-23.6	34.9	0	0	0	112.8	R504 R509 S510	R504-P506 VanDerWaalsContact C-CD 3.4Å; R504-P506 VanDerWaalsContact C-N 3.33Å; P506-R509 WeakPolarHBondContact O-CB 3.38Å; P506-R509 PolarHBondContact O-N 3.26Å; P506-S510 PolarHBondContact O-N 2.93Å; P506-S510 PolarHBondContact O-OG 2.99Å
507	L	75.1	Confident	76.5	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-71	-42.2	-179.5	178.2	54.6	0	0	0	112	F477 L483 T499 R504 I505 R509 S510 L511	F477-L507 HydrophobicContact CB-CD1 3.37Å; F477-L507 HydrophobicContact CD2-CD1 3.85Å; F477-L507 HydrophobicContact CG-CD1 4.09Å; L483-L507 HydrophobicContact CD1-CD1 4.14Å; L483-L507 HydrophobicContact CD1-CD2 3.55Å; L483-L507 HydrophobicContact CD1-CG 4.05Å; T499-L507 HydrophobicContact CG2-CD2 3.75Å; T499-L507 HydrophobicContact CG2-CG 3.67Å; R504-L507 HydrophobicContact CB-CB 3.87Å; R504-L507 HydrophobicContact CB-CD2 4.11Å; R504-L507 HydrophobicContact CG-CD2 4.49Å; R504-L507 WeakPolarHBondContact O-CB 3.42Å; R504-L507 PolarHBondContact O-N 2.98Å; I505-L507 VanDerWaalsContact C-N 3.33Å; I505-L507 PolarHBondContact O-N 3.04Å; L507-R509 VanDerWaalsContact C-N 3.29Å; L507-R509 PolarHBondContact O-N 3.15Å; L507-S510 WeakPolarHBondContact CA-OG 3.4Å; L507-S510 PolarHBondContact O-N 3.34Å; L507-S510 PolarHBondContact O-OG 3.04Å; L507-L511 PolarHBondContact O-N 2.83Å
508	F	74.8	Confident	75.7	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-41.6	171.2	-179.8	-96	0	0	0	111.6	L496 A500 R504 I505 L512 M530 I533 L534	L496-F508 HydrophobicContact CD2-CD2 4.29Å; L496-F508 HydrophobicContact CD2-CE2 4.36Å; A500-F508 HydrophobicContact CB-CD2 3.89Å; A500-F508 HydrophobicContact CB-CE2 3.63Å; A500-F508 HydrophobicContact CB-CZ 4.49Å; R504-F508 WeakPolarHBondContact O-CB 3.38Å; R504-F508 PolarHBondContact O-N 3.45Å; I505-F508 PolarHBondContact O-N 3.4Å; F508-L512 HydrophobicContact CD1-CD1 3.8Å; F508-L512 HydrophobicContact CE1-CD1 3.51Å; F508-L512 HydrophobicContact CE1-CG 4.41Å; F508-L512 HydrophobicContact CZ-CD1 4.21Å; F508-L512 WeakPolarHBondContact O-CB 3.35Å; F508-L512 WeakPolarHBondContact O-CG 3.43Å; F508-L512 PolarHBondContact O-N 2.91Å; F508-M530 HydrophobicContact CD2-CE 4Å; F508-M530 HydrophobicContact CE1-CE 3.79Å; F508-M530 HydrophobicContact CE1-SD 4.47Å; F508-M530 HydrophobicContact CE2-CE 3.1Å; F508-M530 HydrophobicContact CE2-SD 3.75Å; F508-M530 HydrophobicContact CZ-CE 3.01Å; F508-M530 HydrophobicContact CZ-SD 3.43Å; F508-M530 WeakPolarHBondContact CZ-SD 3.31Å; F508-I533 HydrophobicContact CE1-CG2 4.23Å; F508-I533 HydrophobicContact CE2-CG2 4.46Å; F508-I533 HydrophobicContact CZ-CB 4.27Å; F508-I533 HydrophobicContact CZ-CG2 3.72Å; F508-L534 HydrophobicContact CD1-CD2 4.01Å; F508-L534 HydrophobicContact CE1-CD2 3.73Å; F508-L534 HydrophobicContact CE1-CG 3.97Å
509	R	75.3	Confident	74.4	Confident	147 Å²	147	47.8 Å²	47.8	56%	0.555	27%	0.265	S	S	*	.	H	α-helix	trans	-67.1	-40.7	175.2	-76.2	177.1	-180	174.1	2.6	112.8	I505 P506 L507 L512 A513	I505-R509 HydrophobicContact CG2-CG 4.32Å; I505-R509 WeakPolarHBondContact O-CB 3.5Å; I505-R509 VanDerWaalsContact O-CG 3.28Å; I505-R509 WeakPolarHBondContact O-CG 3.47Å; I505-R509 PolarHBondContact O-N 2.98Å; P506-R509 WeakPolarHBondContact O-CB 3.38Å; P506-R509 PolarHBondContact O-N 3.26Å; L507-R509 VanDerWaalsContact C-N 3.29Å; L507-R509 PolarHBondContact O-N 3.15Å; R509-L512 PolarHBondContact O-N 2.8Å; R509-A513 WeakPolarHBondContact O-CB 3.5Å; R509-A513 PolarHBondContact O-N 2.86Å
510	S	77.5	Confident	73.3	Confident	46 Å²	46	52.7 Å²	52.7	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-41.5	176.5	55.2	0	0	0	0	111.7	P506 L507 A513 E514	P506-S510 PolarHBondContact O-N 2.93Å; P506-S510 PolarHBondContact O-OG 2.99Å; L507-S510 WeakPolarHBondContact CA-OG 3.4Å; L507-S510 PolarHBondContact O-N 3.34Å; L507-S510 PolarHBondContact O-OG 3.04Å; S510-A513 PolarHBondContact O-N 3.45Å; S510-E514 WeakPolarHBondContact O-CB 3.4Å; S510-E514 PolarHBondContact O-N 3.44Å
511	L	77.6	Confident	72.2	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-44.5	174.8	-82.7	173.9	0	0	0	112.1	F477 F487 A495 L496 T499 L507 E514 Q515	F477-L511 HydrophobicContact CD2-CD2 3.62Å; F477-L511 HydrophobicContact CD2-CG 3.95Å; F477-L511 HydrophobicContact CE2-CD2 3.22Å; F477-L511 HydrophobicContact CE2-CG 4.06Å; F477-L511 HydrophobicContact CZ-CD2 3.82Å; F487-L511 HydrophobicContact CD2-CD2 4.11Å; A495-L511 HydrophobicContact CB-CD1 4.16Å; L496-L511 HydrophobicContact CD2-CB 3.82Å; L496-L511 HydrophobicContact CD2-CD1 4.36Å; T499-L511 HydrophobicContact CG2-CD1 3.63Å; L507-L511 PolarHBondContact O-N 2.83Å; L511-E514 PolarHBondContact O-N 3.44Å; L511-Q515 WeakPolarHBondContact O-CB 3.09Å; L511-Q515 PolarHBondContact O-N 3.32Å
512	L	76.3	Confident	71.2	Confident	30 Å²	30	68.3 Å²	68.3	16%	0.157	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-44	174.5	-84.1	175.7	0	0	0	112.9	L496 F508 R509 E514 Q515 A516 M530 L534	L496-L512 HydrophobicContact CD2-CD2 4.38Å; L496-L512 HydrophobicContact CD2-CG 4.24Å; F508-L512 HydrophobicContact CD1-CD1 3.8Å; F508-L512 HydrophobicContact CE1-CD1 3.51Å; F508-L512 HydrophobicContact CE1-CG 4.41Å; F508-L512 HydrophobicContact CZ-CD1 4.21Å; F508-L512 WeakPolarHBondContact O-CB 3.35Å; F508-L512 WeakPolarHBondContact O-CG 3.43Å; F508-L512 PolarHBondContact O-N 2.91Å; R509-L512 PolarHBondContact O-N 2.8Å; L512-E514 VanDerWaalsContact C-N 3.33Å; L512-Q515 PolarHBondContact O-N 2.89Å; L512-A516 WeakPolarHBondContact O-CB 3.15Å; L512-A516 PolarHBondContact O-N 2.86Å; L512-M530 HydrophobicContact CD1-CB 4.35Å; L512-M530 HydrophobicContact CD1-CE 3.89Å; L512-M530 HydrophobicContact CD2-CB 3.95Å; L512-M530 HydrophobicContact CD2-CE 3.32Å; L512-M530 HydrophobicContact CD2-CG 3.9Å; L512-M530 HydrophobicContact CG-CE 3.6Å; L512-L534 HydrophobicContact CD1-CD1 3.98Å
513	A	76.5	Confident	70.4	Confident	57 Å²	57	70.8 Å²	70.8	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-66.3	-37	178.8	0	0	0	0	0	111.8	R509 S510 A516	R509-A513 WeakPolarHBondContact O-CB 3.5Å; R509-A513 PolarHBondContact O-N 2.86Å; S510-A513 PolarHBondContact O-N 3.45Å; A513-A516 PolarHBondContact O-N 3.44Å
514	E	76.4	Confident	70.1	Confident	55 Å²	55	73.5 Å²	73.5	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-70	-42.9	176.5	-154.7	62.4	-147.1	0	0	111.3	F487 S510 L511 L512 A516 K517	F487-E514 HydrophobicContact CE2-CB 4.04Å; F487-E514 HydrophobicContact CE2-CG 3.76Å; F487-E514 HydrophobicContact CZ-CB 4.29Å; F487-E514 HydrophobicContact CZ-CG 3.52Å; S510-E514 WeakPolarHBondContact O-CB 3.4Å; S510-E514 PolarHBondContact O-N 3.44Å; L511-E514 PolarHBondContact O-N 3.44Å; L512-E514 VanDerWaalsContact C-N 3.33Å; E514-A516 VanDerWaalsContact C-N 3.28Å; E514-A516 PolarHBondContact O-N 3.36Å; E514-K517 VanDerWaalsContact O-CB 3.32Å; E514-K517 WeakPolarHBondContact O-CB 2.93Å; E514-K517 PolarHBondContact O-N 2.92Å; E514-K517 VanDerWaalsContact O-N 3.07Å; E514-K517 WeakPolarHBondContact OE1-CD 3.43Å; E514-K517 IonicContact OE1-NZ 2.93Å; E514-K517 PolarHBondContact OE1-NZ 3.41Å; E514-K517 IonicContact OE2-NZ 3.98Å; E514-K517 PolarHBondContact OE2-NZ 3.02Å
515	Q	74.6	Confident	69.8	Low	5 Å²	5	75.3 Å²	75.3	2%	0.023	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-33	175.1	-172	63.7	2.2	0	0	112.4	F492 L511 L512 K517 S518	F492-Q515 VanDerWaalsContact CG-OE1 3.32Å; F492-Q515 VanDerWaalsContact CZ-OE1 3.31Å; L511-Q515 WeakPolarHBondContact O-CB 3.09Å; L511-Q515 PolarHBondContact O-N 3.32Å; L512-Q515 PolarHBondContact O-N 2.89Å; Q515-K517 PolarHBondContact O-N 2.79Å; Q515-K517 VanDerWaalsContact O-N 3.15Å; Q515-S518 PolarHBondContact NE2-OG 3.1Å; Q515-S518 PolarHBondContact O-N 2.76Å; Q515-S518 PolarHBondContact O-OG 3.05Å
516	A	69.8	Low	69.6	Low	45 Å²	45	72.5 Å²	72.5	37%	0.372	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.9	174.9	0	0	0	0	0	114	L512 A513 E514 Y523	L512-A516 WeakPolarHBondContact O-CB 3.15Å; L512-A516 PolarHBondContact O-N 2.86Å; A513-A516 PolarHBondContact O-N 3.44Å; E514-A516 VanDerWaalsContact C-N 3.28Å; E514-A516 PolarHBondContact O-N 3.36Å; A516-Y523 HydrophobicContact CB-CE2 3.66Å; A516-Y523 VanDerWaalsContact CB-OH 3.22Å; A516-Y523 WeakPolarHBondContact CB-OH 3.08Å
517	K	73.1	Confident	69.4	Low	145 Å²	145	72 Å²	72	63%	0.63	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-21.5	173.3	-59.9	172	-176.6	167.9	0	112.3	E514 Q515	E514-K517 VanDerWaalsContact O-CB 3.32Å; E514-K517 WeakPolarHBondContact O-CB 2.93Å; E514-K517 PolarHBondContact O-N 2.92Å; E514-K517 VanDerWaalsContact O-N 3.07Å; E514-K517 WeakPolarHBondContact OE1-CD 3.43Å; E514-K517 IonicContact OE1-NZ 2.93Å; E514-K517 PolarHBondContact OE1-NZ 3.41Å; E514-K517 IonicContact OE2-NZ 3.98Å; E514-K517 PolarHBondContact OE2-NZ 3.02Å; Q515-K517 PolarHBondContact O-N 2.79Å; Q515-K517 VanDerWaalsContact O-N 3.15Å
518	S	70.1	Confident	69	Low	40 Å²	40	74.8 Å²	74.8	28%	0.28	38%	0.382	S	S	.	.	S	Bend	trans	-81.8	126.1	176.8	76.2	0	0	0	0	109.5	Q515 E520	Q515-S518 PolarHBondContact NE2-OG 3.1Å; Q515-S518 PolarHBondContact O-N 2.76Å; Q515-S518 PolarHBondContact O-OG 3.05Å; S518-E520 PolarHBondContact O-N 2.94Å; S518-E520 VanDerWaalsContact O-N 3.07Å
519	S	57.2	Low	68.7	Low	128 Å²	128	74.5 Å²	74.5	90%	0.895	38%	0.381	S	S	*	.			trans	-81.6	25.2	-169.9	54.5	0	0	0	0	114.2
520	E	59.1	Low	68.3	Low	104 Å²	104	67.7 Å²	67.7	49%	0.486	36%	0.355	S	S	.	.			trans	-86.5	141.3	-171.9	-74.5	-166.3	159.9	0	0	113.6	S518 R522 Y523	S518-E520 PolarHBondContact O-N 2.94Å; S518-E520 VanDerWaalsContact O-N 3.07Å; E520-R522 HydrophobicContact CB-CB 4.35Å; E520-R522 PolarHBondContact O-N 2.71Å; E520-Y523 WeakPolarHBondContact O-CB 3.38Å; E520-Y523 PolarHBondContact O-N 2.85Å
521	K	56	Low	67.9	Low	200 Å²	200	68.4 Å²	68.4	87%	0.87	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.4	173.1	-73.3	-179.2	177	177.8	0	113.8	Y523	K521-Y523 PolarHBondContact O-N 3.31Å; K521-Y523 VanDerWaalsContact O-N 3.09Å
522	R	58.8	Low	67.5	Low	136 Å²	136	69.2 Å²	69.2	51%	0.513	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-21	170.7	-97.7	178.5	176.8	167.8	-5.6	113.7	E520 N524	E520-R522 HydrophobicContact CB-CB 4.35Å; E520-R522 PolarHBondContact O-N 2.71Å; R522-N524 PolarHBondContact O-N 2.89Å
523	Y	61.3	Low	66.9	Low	69 Å²	69	68.3 Å²	68.3	27%	0.271	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-35.7	-175.2	-170.2	-117.4	0	0	0	114.3	A516 E520 K521 Q527	A516-Y523 HydrophobicContact CB-CE2 3.66Å; A516-Y523 VanDerWaalsContact CB-OH 3.22Å; A516-Y523 WeakPolarHBondContact CB-OH 3.08Å; E520-Y523 WeakPolarHBondContact O-CB 3.38Å; E520-Y523 PolarHBondContact O-N 2.85Å; K521-Y523 PolarHBondContact O-N 3.31Å; K521-Y523 VanDerWaalsContact O-N 3.09Å; Y523-Q527 HydrophobicContact CD1-CG 3.94Å; Y523-Q527 HydrophobicContact CD2-CG 4.29Å; Y523-Q527 HydrophobicContact CE1-CG 3.71Å; Y523-Q527 HydrophobicContact CE2-CG 4Å; Y523-Q527 HydrophobicContact CG-CG 4.23Å; Y523-Q527 VanDerWaalsContact O-CB 3.3Å; Y523-Q527 WeakPolarHBondContact O-CB 3.4Å; Y523-Q527 VanDerWaalsContact O-CG 3.27Å; Y523-Q527 WeakPolarHBondContact O-CG 3.28Å; Y523-Q527 PolarHBondContact O-N 3.4Å; Y523-Q527 PolarHBondContact OH-NE2 2.99Å
524	N	64.8	Low	66.4	Low	108 Å²	108	69 Å²	69	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-70.5	-38.3	-173.1	-69.8	-19	0	0	0	113.6	R522 S528	R522-N524 PolarHBondContact O-N 2.89Å; N524-S528 PolarHBondContact O-N 3.03Å; N524-S528 PolarHBondContact O-OG 3.2Å
525	E	65.9	Low	66	Low	96 Å²	96	68.2 Å²	68.2	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-47.2	177.9	-70.8	177.5	-163.5	0	0	110.8	S528 V529	E525-S528 PolarHBondContact O-N 2.84Å; E525-V529 PolarHBondContact O-N 2.97Å
526	I	67.7	Low	65.5	Low	4 Å²	4	68.3 Å²	68.3	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-50	175.6	-64.3	171.6	0	0	0	109.2	E493 L496 S528 V529 M530 L562	E493-I526 HydrophobicContact CG-CD1 4.29Å; L496-I526 HydrophobicContact CD1-CG2 3.75Å; I526-S528 VanDerWaalsContact C-N 3.27Å; I526-S528 PolarHBondContact O-N 3.43Å; I526-S528 VanDerWaalsContact O-N 3.17Å; I526-V529 PolarHBondContact O-N 2.73Å; I526-M530 HydrophobicContact CG2-CG 3.63Å; I526-M530 VanDerWaalsContact O-CB 3.26Å; I526-M530 WeakPolarHBondContact O-CB 3.46Å; I526-M530 WeakPolarHBondContact O-CG 3.33Å; I526-M530 PolarHBondContact O-N 3.07Å; I526-L562 HydrophobicContact CG1-CD1 4.08Å
527	Q	68.8	Low	64.9	Low	82 Å²	82	70 Å²	70	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-53	-41.8	179.5	-85.5	-166.7	-32.8	0	0	113.7	Y523 M530 A531	Y523-Q527 HydrophobicContact CD1-CG 3.94Å; Y523-Q527 HydrophobicContact CD2-CG 4.29Å; Y523-Q527 HydrophobicContact CE1-CG 3.71Å; Y523-Q527 HydrophobicContact CE2-CG 4Å; Y523-Q527 HydrophobicContact CG-CG 4.23Å; Y523-Q527 VanDerWaalsContact O-CB 3.3Å; Y523-Q527 WeakPolarHBondContact O-CB 3.4Å; Y523-Q527 VanDerWaalsContact O-CG 3.27Å; Y523-Q527 WeakPolarHBondContact O-CG 3.28Å; Y523-Q527 PolarHBondContact O-N 3.4Å; Y523-Q527 PolarHBondContact OH-NE2 2.99Å; Q527-M530 PolarHBondContact O-N 3.1Å; Q527-A531 WeakPolarHBondContact O-CB 3.29Å; Q527-A531 PolarHBondContact O-N 3.42Å
528	S	67.4	Low	64.1	Low	63 Å²	63	73.2 Å²	73.2	44%	0.441	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-45.8	-177.9	-59.5	0	0	0	0	111.9	N524 E525 I526 M530 L532	N524-S528 PolarHBondContact O-N 3.03Å; N524-S528 PolarHBondContact O-OG 3.2Å; E525-S528 PolarHBondContact O-N 2.84Å; I526-S528 VanDerWaalsContact C-N 3.27Å; I526-S528 PolarHBondContact O-N 3.43Å; I526-S528 VanDerWaalsContact O-N 3.17Å; S528-M530 VanDerWaalsContact C-N 3.29Å; S528-M530 PolarHBondContact O-N 2.82Å; S528-L532 PolarHBondContact O-N 3.49Å
529	V	67.9	Low	63.8	Low	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62.9	-39.2	174.3	176.3	0	0	0	0	110.7	E525 I526 L532 I533 V557 L562 L566	E525-V529 PolarHBondContact O-N 2.97Å; I526-V529 PolarHBondContact O-N 2.73Å; V529-L532 WeakPolarHBondContact O-CB 3.27Å; V529-L532 PolarHBondContact O-N 2.83Å; V529-I533 HydrophobicContact CG1-CD1 3.79Å; V529-I533 HydrophobicContact CG1-CG1 4.45Å; V529-I533 VanDerWaalsContact O-CG1 3.26Å; V529-I533 WeakPolarHBondContact O-CG1 3.23Å; V529-I533 PolarHBondContact O-N 3.47Å; V529-V557 HydrophobicContact CG2-CG2 3.53Å; V529-L562 HydrophobicContact CG1-CD2 4.38Å; V529-L566 HydrophobicContact CB-CD2 4.38Å; V529-L566 HydrophobicContact CG1-CD2 3.84Å; V529-L566 HydrophobicContact CG1-CG 3.92Å; V529-L566 HydrophobicContact CG2-CD1 4.03Å; V529-L566 HydrophobicContact CG2-CD2 4.21Å; V529-L566 HydrophobicContact CG2-CG 4.25Å
530	M	68.2	Low	64.2	Low	3 Å²	3	74.9 Å²	74.9	2%	0.015	38%	0.379	C	S	.	.	H	α-helix	trans	-81.9	-34.6	-171.5	-60.5	-66.8	-88.9	0	0	112.8	L496 F508 L512 I526 Q527 S528 L532 I533 L534	L496-M530 HydrophobicContact CB-CE 3.83Å; L496-M530 HydrophobicContact CD1-CE 3.42Å; L496-M530 VanDerWaalsContact CD1-CE 3.42Å; L496-M530 HydrophobicContact CD1-SD 4.23Å; L496-M530 HydrophobicContact CD2-CE 3.28Å; L496-M530 HydrophobicContact CG-CE 3.63Å; F508-M530 HydrophobicContact CD2-CE 4Å; F508-M530 HydrophobicContact CE1-CE 3.79Å; F508-M530 HydrophobicContact CE1-SD 4.47Å; F508-M530 HydrophobicContact CE2-CE 3.1Å; F508-M530 HydrophobicContact CE2-SD 3.75Å; F508-M530 HydrophobicContact CZ-CE 3.01Å; F508-M530 HydrophobicContact CZ-SD 3.43Å; F508-M530 WeakPolarHBondContact CZ-SD 3.31Å; L512-M530 HydrophobicContact CD1-CB 4.35Å; L512-M530 HydrophobicContact CD1-CE 3.89Å; L512-M530 HydrophobicContact CD2-CB 3.95Å; L512-M530 HydrophobicContact CD2-CE 3.32Å; L512-M530 HydrophobicContact CD2-CG 3.9Å; L512-M530 HydrophobicContact CG-CE 3.6Å; I526-M530 HydrophobicContact CG2-CG 3.63Å; I526-M530 VanDerWaalsContact O-CB 3.26Å; I526-M530 WeakPolarHBondContact O-CB 3.46Å; I526-M530 WeakPolarHBondContact O-CG 3.33Å; I526-M530 PolarHBondContact O-N 3.07Å; Q527-M530 PolarHBondContact O-N 3.1Å; S528-M530 VanDerWaalsContact C-N 3.29Å; S528-M530 PolarHBondContact O-N 2.82Å; M530-L532 PolarHBondContact O-N 2.88Å; M530-I533 PolarHBondContact O-N 2.62Å; M530-I533 HydrophobicContact SD-CD1 3.88Å; M530-L534 WeakPolarHBondContact O-CB 3.14Å; M530-L534 WeakPolarHBondContact O-CG 3.44Å; M530-L534 PolarHBondContact O-N 3.01Å
531	A	68	Low	64.5	Low	62 Å²	62	71.7 Å²	71.7	51%	0.512	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-38.8	168.2	0	0	0	0	0	110.5	Q527 A535	Q527-A531 WeakPolarHBondContact O-CB 3.29Å; Q527-A531 PolarHBondContact O-N 3.42Å; A531-A535 VanDerWaalsContact O-CB 3.26Å; A531-A535 WeakPolarHBondContact O-CB 3.5Å; A531-A535 PolarHBondContact O-N 3.11Å; A531-A535 VanDerWaalsContact O-N 3.08Å
532	L	69.2	Low	65.3	Low	21 Å²	21	65.2 Å²	65.2	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-51.2	173.1	-167.7	72.6	0	0	0	111.2	S528 V529 M530 L534 A535 T536 W546 T549 L553 L566	S528-L532 PolarHBondContact O-N 3.49Å; V529-L532 WeakPolarHBondContact O-CB 3.27Å; V529-L532 PolarHBondContact O-N 2.83Å; M530-L532 PolarHBondContact O-N 2.88Å; L532-L534 VanDerWaalsContact C-N 3.27Å; L532-L534 PolarHBondContact O-N 2.85Å; L532-A535 CarbonylContact O-C 3.53Å; L532-A535 WeakPolarHBondContact O-CA 3.25Å; L532-A535 WeakPolarHBondContact O-CB 3.43Å; L532-A535 PolarHBondContact O-N 2.69Å; L532-T536 PolarHBondContact O-N 2.89Å; L532-W546 HydrophobicContact CB-CH2 4.47Å; L532-W546 HydrophobicContact CD1-CD2 4.49Å; L532-W546 HydrophobicContact CD1-CE3 4Å; L532-W546 HydrophobicContact CD1-CH2 3.21Å; L532-W546 HydrophobicContact CD1-CZ2 3.68Å; L532-W546 HydrophobicContact CD1-CZ3 3.39Å; L532-W546 HydrophobicContact CD2-CH2 4.46Å; L532-W546 HydrophobicContact CD2-CZ2 4.19Å; L532-W546 HydrophobicContact CG-CH2 3.43Å; L532-W546 VanDerWaalsContact CG-CH2 3.43Å; L532-W546 HydrophobicContact CG-CZ2 3.58Å; L532-W546 HydrophobicContact CG-CZ3 4.16Å; L532-W546 VanDerWaalsContact O-CH2 3.29Å; L532-W546 WeakPolarHBondContact O-CH2 3.13Å; L532-T549 HydrophobicContact CD1-CG2 4.17Å; L532-L553 HydrophobicContact CD2-CD1 3.78Å; L532-L566 HydrophobicContact CD2-CD2 3.72Å
533	I	65	Low	65.8	Low	12 Å²	12	62.7 Å²	62.7	6%	0.062	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-35	178.6	-67	169	0	0	0	112.9	F508 V529 M530 A535 T536 L565 F569	F508-I533 HydrophobicContact CE1-CG2 4.23Å; F508-I533 HydrophobicContact CE2-CG2 4.46Å; F508-I533 HydrophobicContact CZ-CB 4.27Å; F508-I533 HydrophobicContact CZ-CG2 3.72Å; V529-I533 HydrophobicContact CG1-CD1 3.79Å; V529-I533 HydrophobicContact CG1-CG1 4.45Å; V529-I533 VanDerWaalsContact O-CG1 3.26Å; V529-I533 WeakPolarHBondContact O-CG1 3.23Å; V529-I533 PolarHBondContact O-N 3.47Å; M530-I533 PolarHBondContact O-N 2.62Å; M530-I533 HydrophobicContact SD-CD1 3.88Å; I533-A535 VanDerWaalsContact C-N 3.31Å; I533-T536 PolarHBondContact O-OG1 3.13Å; I533-L565 HydrophobicContact CD1-CB 3.76Å; I533-L565 HydrophobicContact CD1-CD1 3.64Å; I533-L565 HydrophobicContact CD1-CG 4.18Å; I533-F569 HydrophobicContact CB-CD2 4.33Å; I533-F569 HydrophobicContact CB-CE2 4.13Å; I533-F569 HydrophobicContact CD1-CD2 4.08Å; I533-F569 HydrophobicContact CD1-CE2 3.97Å; I533-F569 HydrophobicContact CG1-CD2 3.57Å; I533-F569 HydrophobicContact CG1-CE2 3.7Å; I533-F569 HydrophobicContact CG1-CG 4.38Å; I533-F569 HydrophobicContact CG2-CD2 4.09Å; I533-F569 HydrophobicContact CG2-CE1 4.33Å; I533-F569 HydrophobicContact CG2-CE2 3.43Å; I533-F569 VanDerWaalsContact CG2-CE2 3.43Å; I533-F569 HydrophobicContact CG2-CZ 3.57Å
534	L	65.9	Low	66.4	Low	70 Å²	70	63.1 Å²	63.1	37%	0.366	36%	0.364	S	S	.	.	H	α-helix	trans	-75.2	-24.4	175.7	-70	172.4	0	0	0	112.5	F508 L512 M530 L532	F508-L534 HydrophobicContact CD1-CD2 4.01Å; F508-L534 HydrophobicContact CE1-CD2 3.73Å; F508-L534 HydrophobicContact CE1-CG 3.97Å; L512-L534 HydrophobicContact CD1-CD1 3.98Å; M530-L534 WeakPolarHBondContact O-CB 3.14Å; M530-L534 WeakPolarHBondContact O-CG 3.44Å; M530-L534 PolarHBondContact O-N 3.01Å; L532-L534 VanDerWaalsContact C-N 3.27Å; L532-L534 PolarHBondContact O-N 2.85Å
535	A	66.6	Low	67	Low	40 Å²	40	61.9 Å²	61.9	33%	0.331	36%	0.36	S	S	.	.	H	α-helix	trans	-83.3	-21.4	177.7	0	0	0	0	0	113.4	A531 L532 I533 P537 R538 Y539 W546	A531-A535 VanDerWaalsContact O-CB 3.26Å; A531-A535 WeakPolarHBondContact O-CB 3.5Å; A531-A535 PolarHBondContact O-N 3.11Å; A531-A535 VanDerWaalsContact O-N 3.08Å; L532-A535 CarbonylContact O-C 3.53Å; L532-A535 WeakPolarHBondContact O-CA 3.25Å; L532-A535 WeakPolarHBondContact O-CB 3.43Å; L532-A535 PolarHBondContact O-N 2.69Å; I533-A535 VanDerWaalsContact C-N 3.31Å; A535-P537 VanDerWaalsContact C-CD 3.47Å; A535-R538 CarbonylContact O-C 3.48Å; A535-R538 PolarHBondContact O-N 3.32Å; A535-Y539 PolarHBondContact O-N 3.07Å; A535-W546 HydrophobicContact CB-CZ3 4.48Å
536	T	64.6	Low	67.3	Low	7 Å²	7	57.6 Å²	57.6	4%	0.043	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-49.2	-49.2	-177.8	27.9	0	0	0	0	114.1	L532 I533 R538 Y539 W546 F569	L532-T536 PolarHBondContact O-N 2.89Å; I533-T536 PolarHBondContact O-OG1 3.13Å; T536-R538 PolarHBondContact O-N 3.45Å; T536-R538 VanDerWaalsContact O-N 3.16Å; T536-Y539 PolarHBondContact O-N 3.33Å; T536-W546 HydrophobicContact CG2-CH2 3.51Å; T536-W546 HydrophobicContact CG2-CZ2 3.04Å; T536-F569 HydrophobicContact CG2-CB 3.84Å; T536-F569 HydrophobicContact CG2-CD1 3.73Å; T536-F569 HydrophobicContact CG2-CG 4.05Å
537	P	56.4	Low	67.7	Low	81 Å²	81	59.3 Å²	59.3	53%	0.526	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-70.9	-14.7	-174.5	-14.7	31.6	0	0	0	112.9	A535	A535-P537 VanDerWaalsContact C-CD 3.47Å
538	R	58.2	Low	68.2	Low	212 Å²	212	57.8 Å²	57.8	80%	0.8	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-112	1.5	-176.1	-65.2	-176.9	176.4	-179.4	-2.6	112.8	A535 T536 S540	A535-R538 CarbonylContact O-C 3.48Å; A535-R538 PolarHBondContact O-N 3.32Å; T536-R538 PolarHBondContact O-N 3.45Å; T536-R538 VanDerWaalsContact O-N 3.16Å; R538-S540 PolarHBondContact O-N 3.35Å; R538-S540 VanDerWaalsContact O-N 3.1Å
539	Y	63.2	Low	68.8	Low	75 Å²	75	57.5 Å²	57.5	29%	0.294	35%	0.345	S	S	.	.			trans	-73.6	106.1	-176	-173.7	-101.2	0	0	0	110.4	A535 T536 G541 S542 W546	A535-Y539 PolarHBondContact O-N 3.07Å; T536-Y539 PolarHBondContact O-N 3.33Å; Y539-G541 VanDerWaalsContact CE1-CA 3.45Å; Y539-G541 VanDerWaalsContact CE1-O 3.22Å; Y539-G541 WeakPolarHBondContact CE1-O 3.39Å; Y539-G541 VanDerWaalsContact CZ-CA 3.45Å; Y539-S542 PolarHBondContact OH-N 3.13Å; Y539-S542 PolarHBondContact OH-O 3.38Å; Y539-W546 HydrophobicContact CD1-CB 4.21Å; Y539-W546 HydrophobicContact CD1-CD2 4.22Å; Y539-W546 AromaticContact CD1-CE3 3.76Å; Y539-W546 HydrophobicContact CD1-CE3 3.76Å; Y539-W546 HydrophobicContact CD1-CG 4.41Å; Y539-W546 AromaticContact CD2-CE3 3.43Å; Y539-W546 HydrophobicContact CD2-CE3 3.43Å; Y539-W546 VanDerWaalsContact CD2-CE3 3.43Å; Y539-W546 AromaticContact CD2-CZ3 3.67Å; Y539-W546 HydrophobicContact CD2-CZ3 3.67Å; Y539-W546 HydrophobicContact CE1-CB 3.67Å; Y539-W546 HydrophobicContact CE1-CD2 4.43Å; Y539-W546 HydrophobicContact CE1-CE3 4.02Å; Y539-W546 HydrophobicContact CE1-CG 4.32Å; Y539-W546 AromaticContact CE2-CE3 3.72Å; Y539-W546 HydrophobicContact CE2-CE3 3.72Å; Y539-W546 HydrophobicContact CE2-CZ3 4.29Å; Y539-W546 HydrophobicContact CG-CD2 4.29Å; Y539-W546 AromaticContact CG-CE3 3.44Å; Y539-W546 HydrophobicContact CG-CE3 3.44Å; Y539-W546 VanDerWaalsContact CG-CE3 3.44Å; Y539-W546 AromaticContact CG-CZ3 3.79Å; Y539-W546 HydrophobicContact CG-CZ3 3.79Å; Y539-W546 AromaticContact CZ-CE3 3.99Å
540	S	64.4	Low	69.3	Low	127 Å²	127	57.5 Å²	57.5	89%	0.888	35%	0.346	S	S	*	.			trans	-94.8	4.5	174.3	59.6	0	0	0	0	113.4	R538	R538-S540 PolarHBondContact O-N 3.35Å; R538-S540 VanDerWaalsContact O-N 3.1Å
541	G	65.6	Low	69.9	Low	38 Å²	38	59.3 Å²	59.3	39%	0.392	36%	0.361	S	S	.	.	S	Bend	trans	-82.9	-174.8	-175.5	0	0	0	0	0	114.2	Y539 L543	Y539-G541 VanDerWaalsContact CE1-CA 3.45Å; Y539-G541 VanDerWaalsContact CE1-O 3.22Å; Y539-G541 WeakPolarHBondContact CE1-O 3.39Å; Y539-G541 VanDerWaalsContact CZ-CA 3.45Å; G541-L543 PolarHBondContact O-N 3.23Å
542	S	73.3	Confident	70.6	Confident	63 Å²	63	60.9 Å²	60.9	44%	0.441	36%	0.361	S	S	.	.			trans	-68.6	121.8	177.8	179.1	0	0	0	0	111.8	Y539 S544 V545 W546	Y539-S542 PolarHBondContact OH-N 3.13Å; Y539-S542 PolarHBondContact OH-O 3.38Å; S542-S544 PolarHBondContact O-N 2.96Å; S542-S544 PolarHBondContact OG-N 3.37Å; S542-S544 PolarHBondContact OG-OG 3.35Å; S542-V545 WeakPolarHBondContact O-CB 3.47Å; S542-V545 PolarHBondContact O-N 3.24Å; S542-W546 PolarHBondContact O-N 3.14Å; S542-W546 VanDerWaalsContact O-N 3.13Å
543	L	69.3	Low	71.2	Confident	83 Å²	83	61.4 Å²	61.4	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-46.7	-35.2	172.9	-127.9	80.6	0	0	0	113.6	G541 W546 N547 N573	G541-L543 PolarHBondContact O-N 3.23Å; L543-W546 WeakPolarHBondContact O-CB 3.5Å; L543-W546 PolarHBondContact O-N 2.92Å; L543-N547 WeakPolarHBondContact O-CB 3.49Å; L543-N547 VanDerWaalsContact O-CG 3.23Å; L543-N547 PolarHBondContact O-N 3.17Å; L543-N547 PolarHBondContact O-ND2 3.01Å; L543-N573 HydrophobicContact CD1-CB 4.28Å; L543-N573 WeakPolarHBondContact CD1-O 3.45Å; L543-N573 WeakPolarHBondContact CD2-O 3.44Å; L543-N573 VanDerWaalsContact CG-O 3.26Å; L543-N573 WeakPolarHBondContact CG-O 3.31Å
544	S	74.5	Confident	72	Confident	79 Å²	79	63.6 Å²	63.6	55%	0.552	37%	0.374	S	S	*	.	H	α-helix	trans	-66.4	-40.3	179.7	64.4	0	0	0	0	112.3	S542 A548	S542-S544 PolarHBondContact O-N 2.96Å; S542-S544 PolarHBondContact OG-N 3.37Å; S542-S544 PolarHBondContact OG-OG 3.35Å; S544-A548 VanDerWaalsContact O-CB 3.32Å; S544-A548 WeakPolarHBondContact O-CB 3.25Å; S544-A548 PolarHBondContact O-N 2.82Å
545	V	76.7	Confident	72.8	Confident	82 Å²	82	68.3 Å²	68.3	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-69.9	-40.4	177	177.3	0	0	0	0	109.9	S542 A548 T549	S542-V545 WeakPolarHBondContact O-CB 3.47Å; S542-V545 PolarHBondContact O-N 3.24Å; V545-A548 PolarHBondContact O-N 3.21Å; V545-T549 WeakPolarHBondContact O-CB 3.23Å; V545-T549 PolarHBondContact O-N 2.77Å; V545-T549 PolarHBondContact O-OG1 2.91Å
546	W	73.4	Confident	73.6	Confident	6 Å²	6	70.7 Å²	70.7	2%	0.023	40%	0.401	C	S	.	.	H	α-helix	trans	-55.5	-55.9	172.3	-175.7	-95.9	0	0	0	112.2	L532 A535 T536 Y539 S542 L543 A548 T549 C550 F569 N573	L532-W546 HydrophobicContact CB-CH2 4.47Å; L532-W546 HydrophobicContact CD1-CD2 4.49Å; L532-W546 HydrophobicContact CD1-CE3 4Å; L532-W546 HydrophobicContact CD1-CH2 3.21Å; L532-W546 HydrophobicContact CD1-CZ2 3.68Å; L532-W546 HydrophobicContact CD1-CZ3 3.39Å; L532-W546 HydrophobicContact CD2-CH2 4.46Å; L532-W546 HydrophobicContact CD2-CZ2 4.19Å; L532-W546 HydrophobicContact CG-CH2 3.43Å; L532-W546 VanDerWaalsContact CG-CH2 3.43Å; L532-W546 HydrophobicContact CG-CZ2 3.58Å; L532-W546 HydrophobicContact CG-CZ3 4.16Å; L532-W546 VanDerWaalsContact O-CH2 3.29Å; L532-W546 WeakPolarHBondContact O-CH2 3.13Å; A535-W546 HydrophobicContact CB-CZ3 4.48Å; T536-W546 HydrophobicContact CG2-CH2 3.51Å; T536-W546 HydrophobicContact CG2-CZ2 3.04Å; Y539-W546 HydrophobicContact CD1-CB 4.21Å; Y539-W546 HydrophobicContact CD1-CD2 4.22Å; Y539-W546 AromaticContact CD1-CE3 3.76Å; Y539-W546 HydrophobicContact CD1-CE3 3.76Å; Y539-W546 HydrophobicContact CD1-CG 4.41Å; Y539-W546 AromaticContact CD2-CE3 3.43Å; Y539-W546 HydrophobicContact CD2-CE3 3.43Å; Y539-W546 VanDerWaalsContact CD2-CE3 3.43Å; Y539-W546 AromaticContact CD2-CZ3 3.67Å; Y539-W546 HydrophobicContact CD2-CZ3 3.67Å; Y539-W546 HydrophobicContact CE1-CB 3.67Å; Y539-W546 HydrophobicContact CE1-CD2 4.43Å; Y539-W546 HydrophobicContact CE1-CE3 4.02Å; Y539-W546 HydrophobicContact CE1-CG 4.32Å; Y539-W546 AromaticContact CE2-CE3 3.72Å; Y539-W546 HydrophobicContact CE2-CE3 3.72Å; Y539-W546 HydrophobicContact CE2-CZ3 4.29Å; Y539-W546 HydrophobicContact CG-CD2 4.29Å; Y539-W546 AromaticContact CG-CE3 3.44Å; Y539-W546 HydrophobicContact CG-CE3 3.44Å; Y539-W546 VanDerWaalsContact CG-CE3 3.44Å; Y539-W546 AromaticContact CG-CZ3 3.79Å; Y539-W546 HydrophobicContact CG-CZ3 3.79Å; Y539-W546 AromaticContact CZ-CE3 3.99Å; S542-W546 PolarHBondContact O-N 3.14Å; S542-W546 VanDerWaalsContact O-N 3.13Å; L543-W546 WeakPolarHBondContact O-CB 3.5Å; L543-W546 PolarHBondContact O-N 2.92Å; W546-A548 VanDerWaalsContact C-N 3.33Å; W546-A548 PolarHBondContact O-N 2.88Å; W546-T549 WeakPolarHBondContact O-CB 3.18Å; W546-T549 PolarHBondContact O-N 3.44Å; W546-C550 PolarHBondContact O-N 3.3Å; W546-F569 PolarHBondContact NE1-O 3.41Å; W546-N573 PolarHBondContact NE1-ND2 2.96Å
547	N	75.3	Confident	74.4	Confident	40 Å²	40	70.6 Å²	70.6	21%	0.214	40%	0.401	C	S	.	.	H	α-helix	trans	-64	-37.6	-178	-68.8	-19.4	0	0	0	112.2	L543 T549 C550 A551 S570	L543-N547 WeakPolarHBondContact O-CB 3.49Å; L543-N547 VanDerWaalsContact O-CG 3.23Å; L543-N547 PolarHBondContact O-N 3.17Å; L543-N547 PolarHBondContact O-ND2 3.01Å; N547-T549 VanDerWaalsContact C-N 3.3Å; N547-T549 PolarHBondContact O-N 2.89Å; N547-C550 PolarHBondContact O-N 2.65Å; N547-A551 VanDerWaalsContact O-CB 3.3Å; N547-A551 WeakPolarHBondContact O-CB 3.34Å; N547-A551 PolarHBondContact O-N 2.69Å; N547-S570 PolarHBondContact OD1-O 2.92Å
548	A	78.5	Confident	75.7	Confident	49 Å²	49	74.2 Å²	74.2	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-63.1	-37.3	173.4	0	0	0	0	0	112.1	S544 V545 W546 N552	S544-A548 VanDerWaalsContact O-CB 3.32Å; S544-A548 WeakPolarHBondContact O-CB 3.25Å; S544-A548 PolarHBondContact O-N 2.82Å; V545-A548 PolarHBondContact O-N 3.21Å; W546-A548 VanDerWaalsContact C-N 3.33Å; W546-A548 PolarHBondContact O-N 2.88Å; A548-N552 WeakPolarHBondContact O-CB 3.48Å; A548-N552 VanDerWaalsContact O-CG 3.23Å; A548-N552 PolarHBondContact O-N 3.32Å; A548-N552 PolarHBondContact O-ND2 2.78Å
549	T	81.2	Confident	77	Confident	57 Å²	57	66.2 Å²	66.2	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-68.4	-46.9	177.3	-54.9	0	0	0	0	110.9	L532 V545 W546 N547 A551 N552 L553	L532-T549 HydrophobicContact CD1-CG2 4.17Å; V545-T549 WeakPolarHBondContact O-CB 3.23Å; V545-T549 PolarHBondContact O-N 2.77Å; V545-T549 PolarHBondContact O-OG1 2.91Å; W546-T549 WeakPolarHBondContact O-CB 3.18Å; W546-T549 PolarHBondContact O-N 3.44Å; N547-T549 VanDerWaalsContact C-N 3.3Å; N547-T549 PolarHBondContact O-N 2.89Å; T549-A551 PolarHBondContact O-N 3.13Å; T549-N552 PolarHBondContact O-N 2.67Å; T549-L553 HydrophobicContact CG2-CD1 4.33Å; T549-L553 WeakPolarHBondContact O-CG 3.34Å; T549-L553 PolarHBondContact O-N 2.83Å
550	C	78.5	Confident	78.2	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.007	38%	0.378	C	S	.	.	H	α-helix	trans	-56.3	-48	172.8	-67.8	0	0	0	0	111.6	W546 N547 N552 L553 Q554	W546-C550 PolarHBondContact O-N 3.3Å; N547-C550 PolarHBondContact O-N 2.65Å; C550-N552 VanDerWaalsContact C-N 3.33Å; C550-N552 PolarHBondContact O-N 2.63Å; C550-L553 PolarHBondContact O-N 3.08Å; C550-Q554 WeakPolarHBondContact O-CB 3.34Å; C550-Q554 WeakPolarHBondContact O-CG 3.46Å; C550-Q554 PolarHBondContact O-N 2.77Å
551	A	80.6	Confident	79.3	Confident	40 Å²	40	58.9 Å²	58.9	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-65.5	-33.5	-179	0	0	0	0	0	113	N547 T549 K555	N547-A551 VanDerWaalsContact O-CB 3.3Å; N547-A551 WeakPolarHBondContact O-CB 3.34Å; N547-A551 PolarHBondContact O-N 2.69Å; T549-A551 PolarHBondContact O-N 3.13Å; A551-K555 WeakPolarHBondContact O-CG 3.42Å
552	N	82.9	Confident	80.4	Confident	96 Å²	96	57.2 Å²	57.2	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-70.9	-43.1	174.3	-75.1	-20.8	0	0	0	111.6	A548 T549 C550 Q554 K555 T556	A548-N552 WeakPolarHBondContact O-CB 3.48Å; A548-N552 VanDerWaalsContact O-CG 3.23Å; A548-N552 PolarHBondContact O-N 3.32Å; A548-N552 PolarHBondContact O-ND2 2.78Å; T549-N552 PolarHBondContact O-N 2.67Å; C550-N552 VanDerWaalsContact C-N 3.33Å; C550-N552 PolarHBondContact O-N 2.63Å; N552-Q554 VanDerWaalsContact C-N 3.33Å; N552-Q554 PolarHBondContact O-N 2.87Å; N552-K555 WeakPolarHBondContact O-CB 3.48Å; N552-K555 PolarHBondContact O-N 3.05Å; N552-K555 VanDerWaalsContact O-N 3.16Å; N552-T556 PolarHBondContact O-N 3.22Å
553	L	81.6	Confident	81	Confident	32 Å²	32	56.8 Å²	56.8	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-34.4	176.4	-70.8	173.2	0	0	0	112.4	L532 T549 C550 K555 T556 V557 L566	L532-L553 HydrophobicContact CD2-CD1 3.78Å; T549-L553 HydrophobicContact CG2-CD1 4.33Å; T549-L553 WeakPolarHBondContact O-CG 3.34Å; T549-L553 PolarHBondContact O-N 2.83Å; C550-L553 PolarHBondContact O-N 3.08Å; L553-K555 PolarHBondContact O-N 3.28Å; L553-T556 WeakPolarHBondContact CA-OG1 3.33Å; L553-T556 PolarHBondContact O-N 2.99Å; L553-T556 PolarHBondContact O-OG1 2.73Å; L553-V557 WeakPolarHBondContact O-CB 3.5Å; L553-V557 VanDerWaalsContact O-CG2 3.23Å; L553-V557 WeakPolarHBondContact O-CG2 3.36Å; L553-V557 PolarHBondContact O-N 2.8Å; L553-L566 HydrophobicContact CB-CD1 3.7Å; L553-L566 HydrophobicContact CB-CD2 4.19Å; L553-L566 HydrophobicContact CD1-CD2 4.15Å
554	Q	81.1	Confident	81.7	Confident	58 Å²	58	52.9 Å²	52.9	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-26.5	174.3	-79.8	175.6	-8.3	0	0	112.9	C550 N552 L566 S567	C550-Q554 WeakPolarHBondContact O-CB 3.34Å; C550-Q554 WeakPolarHBondContact O-CG 3.46Å; C550-Q554 PolarHBondContact O-N 2.77Å; N552-Q554 VanDerWaalsContact C-N 3.33Å; N552-Q554 PolarHBondContact O-N 2.87Å; Q554-L566 HydrophobicContact CB-CD1 4.48Å; Q554-L566 HydrophobicContact CG-CB 3.7Å; Q554-L566 HydrophobicContact CG-CD1 3.83Å; Q554-L566 HydrophobicContact CG-CG 4.45Å; Q554-S567 VanDerWaalsContact NE2-CA 3.27Å; Q554-S567 VanDerWaalsContact NE2-N 3.19Å
555	K	82.8	Confident	82	Confident	168 Å²	168	49.1 Å²	49.1	73%	0.73	26%	0.264	S	S	*	.	H	α-helix	trans	-79.8	-25.5	174.6	-64.7	171.9	-176.3	174.1	0	113	A551 N552 L553	A551-K555 WeakPolarHBondContact O-CG 3.42Å; N552-K555 WeakPolarHBondContact O-CB 3.48Å; N552-K555 PolarHBondContact O-N 3.05Å; N552-K555 VanDerWaalsContact O-N 3.16Å; L553-K555 PolarHBondContact O-N 3.28Å
556	T	82.9	Confident	82.2	Confident	90 Å²	90	45.2 Å²	45.2	55%	0.552	24%	0.24	S	C	*	.	H	α-helix	trans	-91.9	-29.4	-177.1	58.4	0	0	0	0	112.7	N552 L553	N552-T556 PolarHBondContact O-N 3.22Å; L553-T556 WeakPolarHBondContact CA-OG1 3.33Å; L553-T556 PolarHBondContact O-N 2.99Å; L553-T556 PolarHBondContact O-OG1 2.73Å
557	V	82.6	Confident	82.5	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.03	24%	0.243	C	C	.	.			trans	-83.6	127	-176.4	175.2	0	0	0	0	109.7	V529 L553 L562 K563 L566	V529-V557 HydrophobicContact CG2-CG2 3.53Å; L553-V557 WeakPolarHBondContact O-CB 3.5Å; L553-V557 VanDerWaalsContact O-CG2 3.23Å; L553-V557 WeakPolarHBondContact O-CG2 3.36Å; L553-V557 PolarHBondContact O-N 2.8Å; V557-L562 HydrophobicContact CG1-CB 3.41Å; V557-L562 VanDerWaalsContact CG1-CB 3.41Å; V557-L562 HydrophobicContact CG1-CD1 3.79Å; V557-L562 HydrophobicContact CG1-CG 4.24Å; V557-K563 HydrophobicContact CG1-CG 4.49Å; V557-K563 WeakPolarHBondContact O-CE 3.4Å; V557-L566 HydrophobicContact CG2-CD1 4.17Å
558	E	82.8	Confident	82.6	Confident	157 Å²	157	43.8 Å²	43.8	73%	0.734	23%	0.234	S	C	*	.			trans	-82	-41.5	178.8	-64.7	-174.3	170.3	0	0	112.2	K563	E558-K563 WeakPolarHBondContact O-CE 3.32Å; E558-K563 PolarHBondContact O-NZ 3.46Å
559	N	85.8	Confident	82.3	Confident	44 Å²	44	42.5 Å²	42.5	24%	0.235	22%	0.219	C	C	.	.			trans	-67.2	128.1	-173.5	-171.8	-55.3	0	0	0	113.1	E493 Y561 L562 K563	E493-N559 VanDerWaalsContact CB-ND2 3.33Å; E493-N559 WeakPolarHBondContact CB-ND2 3.27Å; E493-N559 HydrophobicContact CG-CB 4.3Å; E493-N559 WeakPolarHBondContact CG-ND2 3.3Å; N559-Y561 PolarHBondContact O-N 3.38Å; N559-Y561 WeakPolarHBondContact OD1-CB 3.49Å; N559-Y561 PolarHBondContact OD1-N 3.44Å; N559-L562 HydrophobicContact CB-CB 4.44Å; N559-L562 HydrophobicContact CB-CD1 4.15Å; N559-L562 HydrophobicContact CB-CG 4.21Å; N559-L562 PolarHBondContact O-N 2.91Å; N559-K563 PolarHBondContact O-N 2.8Å; N559-K563 VanDerWaalsContact O-N 3.08Å
560	N	88.2	Confident	81.8	Confident	32 Å²	32	40 Å²	40	17%	0.171	20%	0.204	C	C	.	.	H	α-helix	trans	-70.9	-26.6	-175.7	-69.2	-25.8	0	0	0	114	K563 A564 Q586 D587 I588	N560-K563 PolarHBondContact O-N 2.91Å; N560-K563 PolarHBondContact OD1-NZ 2.9Å; N560-A564 VanDerWaalsContact O-CB 3.29Å; N560-A564 WeakPolarHBondContact O-CB 3.32Å; N560-A564 PolarHBondContact O-N 3.44Å; N560-Q586 PolarHBondContact ND2-O 2.61Å; N560-D587 PolarHBondContact ND2-OD2 3.02Å; N560-I588 HydrophobicContact CB-CG1 4.46Å
561	Y	88.9	Confident	81	Confident	17 Å²	17	41.3 Å²	41.3	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-40.2	172	-76.2	-78.2	0	0	0	111.8	R494 F497 N559 A564 L565 I588 A589 D592	R494-Y561 HydrophobicContact CB-CD1 4.34Å; R494-Y561 HydrophobicContact CB-CD2 4.03Å; R494-Y561 HydrophobicContact CB-CE1 4.2Å; R494-Y561 HydrophobicContact CB-CE2 3.89Å; R494-Y561 HydrophobicContact CB-CG 4.25Å; R494-Y561 WeakPolarHBondContact CD-OH 3.5Å; R494-Y561 HydrophobicContact CG-CD1 4.26Å; R494-Y561 HydrophobicContact CG-CD2 4.49Å; R494-Y561 HydrophobicContact CG-CE1 3.7Å; R494-Y561 HydrophobicContact CG-CE2 3.98Å; R494-Y561 PolarHBondContact NE-OH 2.86Å; F497-Y561 HydrophobicContact CB-CD1 3.73Å; F497-Y561 HydrophobicContact CB-CG 4.27Å; F497-Y561 AromaticContact CD1-CD1 3.64Å; F497-Y561 HydrophobicContact CD1-CD1 3.64Å; F497-Y561 AromaticContact CD1-CE1 3.98Å; F497-Y561 HydrophobicContact CD1-CE1 3.98Å; F497-Y561 HydrophobicContact CD2-CD1 4.09Å; F497-Y561 HydrophobicContact CE1-CD1 4.25Å; F497-Y561 HydrophobicContact CE1-CE1 4.38Å; F497-Y561 AromaticContact CG-CD1 3.56Å; F497-Y561 HydrophobicContact CG-CD1 3.56Å; F497-Y561 HydrophobicContact CG-CE1 4.36Å; F497-Y561 HydrophobicContact CG-CG 4.45Å; N559-Y561 PolarHBondContact O-N 3.38Å; N559-Y561 WeakPolarHBondContact OD1-CB 3.49Å; N559-Y561 PolarHBondContact OD1-N 3.44Å; Y561-A564 WeakPolarHBondContact O-CB 3.39Å; Y561-A564 PolarHBondContact O-N 2.9Å; Y561-L565 PolarHBondContact O-N 2.57Å; Y561-I588 HydrophobicContact CD1-CG2 4.43Å; Y561-I588 HydrophobicContact CE1-CG2 3.79Å; Y561-A589 VanDerWaalsContact OH-CB 3.25Å; Y561-A589 WeakPolarHBondContact OH-CB 3.37Å; Y561-A589 PolarHBondContact OH-N 3.41Å; Y561-D592 HydrophobicContact CE1-CB 4.38Å; Y561-D592 PolarHBondContact OH-OD2 3.3Å
562	L	86.7	Confident	79.9	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-70	-39.4	176.4	-64.1	-178.7	0	0	0	111.6	E493 I526 V529 V557 N559 A564 L565 L566	E493-L562 HydrophobicContact CB-CD2 4.26Å; E493-L562 HydrophobicContact CB-CG 4.1Å; E493-L562 HydrophobicContact CG-CD1 3.83Å; E493-L562 HydrophobicContact CG-CD2 4.16Å; E493-L562 HydrophobicContact CG-CG 3.84Å; I526-L562 HydrophobicContact CG1-CD1 4.08Å; V529-L562 HydrophobicContact CG1-CD2 4.38Å; V557-L562 HydrophobicContact CG1-CB 3.41Å; V557-L562 VanDerWaalsContact CG1-CB 3.41Å; V557-L562 HydrophobicContact CG1-CD1 3.79Å; V557-L562 HydrophobicContact CG1-CG 4.24Å; N559-L562 HydrophobicContact CB-CB 4.44Å; N559-L562 HydrophobicContact CB-CD1 4.15Å; N559-L562 HydrophobicContact CB-CG 4.21Å; N559-L562 PolarHBondContact O-N 2.91Å; L562-A564 VanDerWaalsContact C-N 3.27Å; L562-A564 PolarHBondContact O-N 3.28Å; L562-L565 HydrophobicContact CD2-CD1 4.33Å; L562-L565 PolarHBondContact O-N 3.11Å; L562-L566 WeakPolarHBondContact O-CG 3.26Å; L562-L566 PolarHBondContact O-N 2.81Å
563	K	85.9	Confident	78.5	Confident	55 Å²	55	37.5 Å²	37.5	24%	0.239	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-40.6	170	-69.6	176.8	-167.5	156.3	0	111.6	V557 E558 N559 N560 L566 S567 L585	V557-K563 HydrophobicContact CG1-CG 4.49Å; V557-K563 WeakPolarHBondContact O-CE 3.4Å; E558-K563 WeakPolarHBondContact O-CE 3.32Å; E558-K563 PolarHBondContact O-NZ 3.46Å; N559-K563 PolarHBondContact O-N 2.8Å; N559-K563 VanDerWaalsContact O-N 3.08Å; N560-K563 PolarHBondContact O-N 2.91Å; N560-K563 PolarHBondContact OD1-NZ 2.9Å; K563-L566 PolarHBondContact O-N 3.14Å; K563-S567 WeakPolarHBondContact O-CB 3.19Å; K563-S567 PolarHBondContact O-N 2.93Å; K563-L585 HydrophobicContact CB-CD1 4.44Å
564	A	84.7	Confident	76.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-44.2	176.4	0	0	0	0	0	111.4	F497 N560 Y561 L562 S567 F568 V582 L585 I588	F497-A564 HydrophobicContact CD2-CB 3.99Å; F497-A564 HydrophobicContact CE2-CB 3.58Å; N560-A564 VanDerWaalsContact O-CB 3.29Å; N560-A564 WeakPolarHBondContact O-CB 3.32Å; N560-A564 PolarHBondContact O-N 3.44Å; Y561-A564 WeakPolarHBondContact O-CB 3.39Å; Y561-A564 PolarHBondContact O-N 2.9Å; L562-A564 VanDerWaalsContact C-N 3.27Å; L562-A564 PolarHBondContact O-N 3.28Å; A564-S567 PolarHBondContact O-N 3.03Å; A564-F568 VanDerWaalsContact O-CB 3.31Å; A564-F568 WeakPolarHBondContact O-CB 3.47Å; A564-F568 PolarHBondContact O-N 3.17Å; A564-V582 HydrophobicContact CB-CG1 3.62Å; A564-L585 HydrophobicContact CB-CD1 3.64Å; A564-I588 HydrophobicContact CB-CD1 3.7Å
565	L	81.9	Confident	75.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-49.2	173.3	-70.9	178.5	0	0	0	112.4	F497 A500 I501 I533 Y561 L562 S567 F568 F569	F497-L565 HydrophobicContact CB-CD1 4.32Å; F497-L565 HydrophobicContact CB-CD2 4.35Å; F497-L565 HydrophobicContact CB-CG 4.24Å; F497-L565 HydrophobicContact CD2-CD2 3.69Å; F497-L565 HydrophobicContact CD2-CG 3.82Å; F497-L565 HydrophobicContact CE2-CD2 4.42Å; F497-L565 HydrophobicContact CG-CD2 4.32Å; F497-L565 HydrophobicContact CG-CG 4.48Å; A500-L565 HydrophobicContact CB-CD1 4.4Å; A500-L565 HydrophobicContact CB-CD2 3.63Å; I501-L565 HydrophobicContact CD1-CD2 4.04Å; I501-L565 HydrophobicContact CG1-CD2 3.95Å; I533-L565 HydrophobicContact CD1-CB 3.76Å; I533-L565 HydrophobicContact CD1-CD1 3.64Å; I533-L565 HydrophobicContact CD1-CG 4.18Å; Y561-L565 PolarHBondContact O-N 2.57Å; L562-L565 HydrophobicContact CD2-CD1 4.33Å; L562-L565 PolarHBondContact O-N 3.11Å; L565-S567 VanDerWaalsContact C-N 3.26Å; L565-S567 PolarHBondContact O-N 3.44Å; L565-F568 PolarHBondContact O-N 2.77Å; L565-F569 HydrophobicContact CD2-CE2 4.17Å; L565-F569 VanDerWaalsContact O-CD2 3.22Å; L565-F569 WeakPolarHBondContact O-CD2 3.23Å; L565-F569 PolarHBondContact O-N 2.81Å
566	L	80.9	Confident	73.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-40	179	-71.2	172.3	0	0	0	111.9	V529 L532 L553 Q554 V557 L562 K563 S570	V529-L566 HydrophobicContact CB-CD2 4.38Å; V529-L566 HydrophobicContact CG1-CD2 3.84Å; V529-L566 HydrophobicContact CG1-CG 3.92Å; V529-L566 HydrophobicContact CG2-CD1 4.03Å; V529-L566 HydrophobicContact CG2-CD2 4.21Å; V529-L566 HydrophobicContact CG2-CG 4.25Å; L532-L566 HydrophobicContact CD2-CD2 3.72Å; L553-L566 HydrophobicContact CB-CD1 3.7Å; L553-L566 HydrophobicContact CB-CD2 4.19Å; L553-L566 HydrophobicContact CD1-CD2 4.15Å; Q554-L566 HydrophobicContact CB-CD1 4.48Å; Q554-L566 HydrophobicContact CG-CB 3.7Å; Q554-L566 HydrophobicContact CG-CD1 3.83Å; Q554-L566 HydrophobicContact CG-CG 4.45Å; V557-L566 HydrophobicContact CG2-CD1 4.17Å; L562-L566 WeakPolarHBondContact O-CG 3.26Å; L562-L566 PolarHBondContact O-N 2.81Å; K563-L566 PolarHBondContact O-N 3.14Å; L566-S570 WeakPolarHBondContact O-CB 3.44Å; L566-S570 PolarHBondContact O-N 3.3Å
567	S	79.1	Confident	71.9	Confident	11 Å²	11	37.5 Å²	37.5	8%	0.077	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-48.5	176.7	-172.3	0	0	0	0	111.3	Q554 K563 A564 L565 F569 S570 E571 V582	Q554-S567 VanDerWaalsContact NE2-CA 3.27Å; Q554-S567 VanDerWaalsContact NE2-N 3.19Å; K563-S567 WeakPolarHBondContact O-CB 3.19Å; K563-S567 PolarHBondContact O-N 2.93Å; A564-S567 PolarHBondContact O-N 3.03Å; L565-S567 VanDerWaalsContact C-N 3.26Å; L565-S567 PolarHBondContact O-N 3.44Å; S567-F569 PolarHBondContact O-N 3.2Å; S567-S570 WeakPolarHBondContact O-CB 3.28Å; S567-S570 PolarHBondContact O-N 3.34Å; S567-S570 VanDerWaalsContact O-N 3.13Å; S567-S570 PolarHBondContact O-OG 3.48Å; S567-E571 PolarHBondContact O-N 2.83Å; S567-V582 WeakPolarHBondContact OG-CG2 3.47Å
568	F	77.5	Confident	70.9	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-47.4	176.8	178.3	-97.9	0	0	0	112.5	L445 I501 A564 L565 S570 E571 V572 M579 Y600	L445-F568 HydrophobicContact CD1-CZ 4.5Å; I501-F568 HydrophobicContact CD1-CB 4.04Å; I501-F568 HydrophobicContact CD1-CD1 3.59Å; I501-F568 HydrophobicContact CD1-CD2 3.81Å; I501-F568 HydrophobicContact CD1-CE1 3.95Å; I501-F568 HydrophobicContact CD1-CE2 4.15Å; I501-F568 HydrophobicContact CD1-CG 3.52Å; I501-F568 HydrophobicContact CD1-CZ 4.21Å; A564-F568 VanDerWaalsContact O-CB 3.31Å; A564-F568 WeakPolarHBondContact O-CB 3.47Å; A564-F568 PolarHBondContact O-N 3.17Å; L565-F568 PolarHBondContact O-N 2.77Å; F568-S570 VanDerWaalsContact C-N 3.32Å; F568-S570 PolarHBondContact O-N 3.45Å; F568-E571 WeakPolarHBondContact O-CB 3.46Å; F568-E571 PolarHBondContact O-N 3.02Å; F568-V572 HydrophobicContact CE1-CG2 4.2Å; F568-V572 PolarHBondContact O-N 2.89Å; F568-M579 HydrophobicContact CD2-SD 4.49Å; F568-Y600 HydrophobicContact CE2-CD1 4.05Å; F568-Y600 AromaticContact CE2-CD2 3.94Å; F568-Y600 HydrophobicContact CE2-CD2 3.94Å; F568-Y600 AromaticContact CE2-CE1 3.93Å; F568-Y600 HydrophobicContact CE2-CE1 3.93Å; F568-Y600 AromaticContact CE2-CE2 3.86Å; F568-Y600 HydrophobicContact CE2-CE2 3.86Å; F568-Y600 HydrophobicContact CE2-CG 4.06Å; F568-Y600 AromaticContact CE2-CZ 3.83Å; F568-Y600 HydrophobicContact CZ-CD1 4.21Å; F568-Y600 HydrophobicContact CZ-CD2 4.41Å; F568-Y600 AromaticContact CZ-CE1 3.63Å; F568-Y600 HydrophobicContact CZ-CE1 3.63Å; F568-Y600 AromaticContact CZ-CE2 3.89Å; F568-Y600 HydrophobicContact CZ-CE2 3.89Å; F568-Y600 AromaticContact CZ-CZ 3.44Å; F568-Y600 VanDerWaalsContact CZ-CZ 3.44Å
569	F	71.8	Confident	70.4	Confident	21 Å²	21	32 Å²	32	9%	0.092	18%	0.175	C	C	.	.	H	α-helix	trans	-76.2	-16.3	179.5	-75.8	-67.9	0	0	0	114.3	A500 I533 T536 W546 L565 S567 E571 V572	A500-F569 HydrophobicContact CB-CE2 4.23Å; A500-F569 HydrophobicContact CB-CZ 4.42Å; I533-F569 HydrophobicContact CB-CD2 4.33Å; I533-F569 HydrophobicContact CB-CE2 4.13Å; I533-F569 HydrophobicContact CD1-CD2 4.08Å; I533-F569 HydrophobicContact CD1-CE2 3.97Å; I533-F569 HydrophobicContact CG1-CD2 3.57Å; I533-F569 HydrophobicContact CG1-CE2 3.7Å; I533-F569 HydrophobicContact CG1-CG 4.38Å; I533-F569 HydrophobicContact CG2-CD2 4.09Å; I533-F569 HydrophobicContact CG2-CE1 4.33Å; I533-F569 HydrophobicContact CG2-CE2 3.43Å; I533-F569 VanDerWaalsContact CG2-CE2 3.43Å; I533-F569 HydrophobicContact CG2-CZ 3.57Å; T536-F569 HydrophobicContact CG2-CB 3.84Å; T536-F569 HydrophobicContact CG2-CD1 3.73Å; T536-F569 HydrophobicContact CG2-CG 4.05Å; W546-F569 PolarHBondContact NE1-O 3.41Å; L565-F569 HydrophobicContact CD2-CE2 4.17Å; L565-F569 VanDerWaalsContact O-CD2 3.22Å; L565-F569 WeakPolarHBondContact O-CD2 3.23Å; L565-F569 PolarHBondContact O-N 2.81Å; S567-F569 PolarHBondContact O-N 3.2Å; F569-E571 VanDerWaalsContact C-N 3.35Å; F569-V572 HydrophobicContact CD1-CG2 4.31Å
570	S	70.4	Confident	69.8	Low	4 Å²	4	33.2 Å²	33.2	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-71.9	-30.5	168.2	75.7	0	0	0	0	112.1	N547 L566 S567 F568 G574 C577	N547-S570 PolarHBondContact OD1-O 2.92Å; L566-S570 WeakPolarHBondContact O-CB 3.44Å; L566-S570 PolarHBondContact O-N 3.3Å; S567-S570 WeakPolarHBondContact O-CB 3.28Å; S567-S570 PolarHBondContact O-N 3.34Å; S567-S570 VanDerWaalsContact O-N 3.13Å; S567-S570 PolarHBondContact O-OG 3.48Å; F568-S570 VanDerWaalsContact C-N 3.32Å; F568-S570 PolarHBondContact O-N 3.45Å; S570-G574 VanDerWaalsContact O-CA 3.3Å; S570-G574 WeakPolarHBondContact O-CA 3.25Å; S570-G574 PolarHBondContact O-N 2.83Å; S570-C577 WeakPolarHBondContact OG-CB 3.44Å; S570-C577 PolarHBondContact OG-SG 2.79Å
571	E	61.8	Low	69.1	Low	30 Å²	30	34.9 Å²	34.9	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-70.4	-45.4	175	-172.2	175.1	-168.7	0	0	111.7	S567 F568 F569 N573 G574 G575 C577 M579	S567-E571 PolarHBondContact O-N 2.83Å; F568-E571 WeakPolarHBondContact O-CB 3.46Å; F568-E571 PolarHBondContact O-N 3.02Å; F569-E571 VanDerWaalsContact C-N 3.35Å; E571-N573 PolarHBondContact O-N 2.76Å; E571-G574 PolarHBondContact O-N 2.85Å; E571-G574 VanDerWaalsContact O-N 3.14Å; E571-G575 PolarHBondContact O-N 2.98Å; E571-C577 WeakPolarHBondContact CB-O 3.11Å; E571-C577 VanDerWaalsContact CG-O 3.23Å; E571-C577 WeakPolarHBondContact CG-O 3.27Å; E571-M579 PolarHBondContact OE1-N 2.9Å; E571-M579 PolarHBondContact OE2-N 2.77Å
572	V	57.9	Low	68.6	Low	17 Å²	17	34 Å²	34	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-51.9	-40.1	-178.6	169	0	0	0	0	113	L445 F568 F569	L445-V572 HydrophobicContact CB-CG1 4Å; L445-V572 HydrophobicContact CB-CG2 4.43Å; L445-V572 HydrophobicContact CD1-CG2 3.95Å; L445-V572 HydrophobicContact CD2-CG1 4.02Å; L445-V572 HydrophobicContact CD2-CG2 3.77Å; L445-V572 HydrophobicContact CG-CG2 4.26Å; F568-V572 HydrophobicContact CE1-CG2 4.2Å; F568-V572 PolarHBondContact O-N 2.89Å; F569-V572 HydrophobicContact CD1-CG2 4.31Å
573	N	52.2	Low	68.3	Low	39 Å²	39	34.5 Å²	34.5	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-94.4	-35.3	177.3	-71	-18.3	0	0	0	111.4	L543 W546 E571	L543-N573 HydrophobicContact CD1-CB 4.28Å; L543-N573 WeakPolarHBondContact CD1-O 3.45Å; L543-N573 WeakPolarHBondContact CD2-O 3.44Å; L543-N573 VanDerWaalsContact CG-O 3.26Å; L543-N573 WeakPolarHBondContact CG-O 3.31Å; W546-N573 PolarHBondContact NE1-ND2 2.96Å; E571-N573 PolarHBondContact O-N 2.76Å
574	G	49.6	Very low	68.1	Low	12 Å²	12	37.7 Å²	37.7	12%	0.124	20%	0.203	C	C	.	.	H	α-helix	trans	-104.4	-15.3	-160.6	0	0	0	0	0	118.8	S570 E571 R576	S570-G574 VanDerWaalsContact O-CA 3.3Å; S570-G574 WeakPolarHBondContact O-CA 3.25Å; S570-G574 PolarHBondContact O-N 2.83Å; E571-G574 PolarHBondContact O-N 2.85Å; E571-G574 VanDerWaalsContact O-N 3.14Å; G574-R576 PolarHBondContact O-N 2.79Å
575	G	46.8	Very low	67.9	Low	70 Å²	70	39.6 Å²	39.6	72%	0.722	21%	0.214	S	C	*	.	S	Bend	trans	57.2	10.8	-178	0	0	0	0	0	116.6	E571	E571-G575 PolarHBondContact O-N 2.98Å
576	R	43.7	Very low	67.6	Low	224 Å²	224	46.8 Å²	46.8	85%	0.845	25%	0.247	S	C	*	.			trans	-115.9	-27	-170.4	-78.1	-169.9	-179.5	-157.1	0.5	116.2	G574	G574-R576 PolarHBondContact O-N 2.79Å
577	C	50.3	Low	67.6	Low	42 Å²	42	53 Å²	53	28%	0.284	28%	0.281	S	S	.	.	S	Bend	trans	-86.4	119.2	174.5	-70.4	0	0	0	0	107.5	S570 E571 M579	S570-C577 WeakPolarHBondContact OG-CB 3.44Å; S570-C577 PolarHBondContact OG-SG 2.79Å; E571-C577 WeakPolarHBondContact CB-O 3.11Å; E571-C577 VanDerWaalsContact CG-O 3.23Å; E571-C577 WeakPolarHBondContact CG-O 3.27Å; C577-M579 PolarHBondContact O-N 2.7Å
578	S	62.2	Low	68.1	Low	39 Å²	39	53 Å²	53	27%	0.273	28%	0.28	S	S	.	.			trans	-68.6	132.7	178.8	64.1	0	0	0	0	107.9	D580 D581	S578-D580 PolarHBondContact O-N 2.85Å; S578-D580 WeakPolarHBondContact OG-CB 3.46Å; S578-D581 PolarHBondContact N-OD2 2.98Å; S578-D581 WeakPolarHBondContact O-CB 3.46Å; S578-D581 PolarHBondContact O-N 3.18Å; S578-D581 PolarHBondContact OG-N 2.95Å; S578-D581 PolarHBondContact OG-OD1 2.71Å; S578-D581 PolarHBondContact OG-OD2 2.78Å
579	M	71.8	Confident	68.6	Low	7 Å²	7	54.2 Å²	54.2	3%	0.034	29%	0.29	C	S	.	.	H	α-helix	trans	-41.6	-29.7	161.9	178.9	68.5	164.7	0	0	112.6	F568 E571 C577 D581 V582 L583 M596 Y600 L601	F568-M579 HydrophobicContact CD2-SD 4.49Å; E571-M579 PolarHBondContact OE1-N 2.9Å; E571-M579 PolarHBondContact OE2-N 2.77Å; C577-M579 PolarHBondContact O-N 2.7Å; M579-D581 VanDerWaalsContact C-N 3.25Å; M579-D581 PolarHBondContact O-N 2.78Å; M579-V582 PolarHBondContact O-N 3.29Å; M579-L583 HydrophobicContact CG-CD1 4.07Å; M579-L583 WeakPolarHBondContact O-CG 3.24Å; M579-L583 PolarHBondContact O-N 2.81Å; M579-L583 VanDerWaalsContact O-N 3.11Å; M579-M596 HydrophobicContact CE-CB 4.46Å; M579-M596 HydrophobicContact CE-CE 3.97Å; M579-M596 HydrophobicContact CE-CG 3.55Å; M579-M596 WeakPolarHBondContact CE-O 3.45Å; M579-M596 HydrophobicContact CE-SD 4.12Å; M579-M596 HydrophobicContact SD-CE 4.27Å; M579-M596 HydrophobicContact SD-CG 4.48Å; M579-M596 HydrophobicContact SD-SD 4.38Å; M579-Y600 HydrophobicContact CE-CD2 4.22Å; M579-Y600 HydrophobicContact CE-CG 4.25Å; M579-L601 HydrophobicContact CB-CD2 4.38Å; M579-L601 HydrophobicContact CG-CD2 3.75Å; M579-L601 HydrophobicContact CG-CG 4.47Å
580	D	73.7	Confident	69.5	Low	70 Å²	70	54.8 Å²	54.8	37%	0.374	29%	0.293	S	S	.	.	H	α-helix	trans	-58.9	-31	173.9	-55.8	-40.1	0	0	0	113.5	S578 L583 K584	S578-D580 PolarHBondContact O-N 2.85Å; S578-D580 WeakPolarHBondContact OG-CB 3.46Å; D580-L583 PolarHBondContact O-N 2.85Å; D580-K584 WeakPolarHBondContact O-CB 3.05Å; D580-K584 WeakPolarHBondContact O-CD 3.34Å; D580-K584 WeakPolarHBondContact O-CG 3.48Å; D580-K584 PolarHBondContact O-N 3.19Å
581	D	73.7	Confident	70.5	Confident	66 Å²	66	55.2 Å²	55.2	35%	0.353	30%	0.295	S	S	.	.	H	α-helix	trans	-70.4	-37.8	177.6	-60.1	-38.4	0	0	0	111.4	S578 M579 K584 L585	S578-D581 PolarHBondContact N-OD2 2.98Å; S578-D581 WeakPolarHBondContact O-CB 3.46Å; S578-D581 PolarHBondContact O-N 3.18Å; S578-D581 PolarHBondContact OG-N 2.95Å; S578-D581 PolarHBondContact OG-OD1 2.71Å; S578-D581 PolarHBondContact OG-OD2 2.78Å; M579-D581 VanDerWaalsContact C-N 3.25Å; M579-D581 PolarHBondContact O-N 2.78Å; D581-K584 PolarHBondContact O-N 2.84Å; D581-K584 IonicContact OD1-NZ 3.25Å; D581-K584 PolarHBondContact OD1-NZ 2.77Å; D581-L585 PolarHBondContact O-N 3.08Å
582	V	77.3	Confident	72	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-44.4	173	-164.2	0	0	0	0	110.3	A564 S567 M579 K584 L585 M596	A564-V582 HydrophobicContact CB-CG1 3.62Å; S567-V582 WeakPolarHBondContact OG-CG2 3.47Å; M579-V582 PolarHBondContact O-N 3.29Å; V582-K584 VanDerWaalsContact C-N 3.26Å; V582-K584 PolarHBondContact O-N 2.99Å; V582-L585 HydrophobicContact CG1-CD1 4.36Å; V582-L585 WeakPolarHBondContact O-CB 3.17Å; V582-L585 PolarHBondContact O-N 3.44Å; V582-M596 HydrophobicContact CB-CE 3.84Å; V582-M596 HydrophobicContact CB-SD 4.34Å; V582-M596 HydrophobicContact CG1-CE 3.53Å; V582-M596 HydrophobicContact CG1-SD 3.62Å
583	L	81.2	Confident	73.5	Confident	11 Å²	11	54.6 Å²	54.6	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-24.3	179.9	-66.5	169.2	0	0	0	113.1	M579 D580 K593 M596 A597 L601 F609	M579-L583 HydrophobicContact CG-CD1 4.07Å; M579-L583 WeakPolarHBondContact O-CG 3.24Å; M579-L583 PolarHBondContact O-N 2.81Å; M579-L583 VanDerWaalsContact O-N 3.11Å; D580-L583 PolarHBondContact O-N 2.85Å; L583-K593 HydrophobicContact CD2-CB 4.42Å; L583-K593 WeakPolarHBondContact CD2-O 3.4Å; L583-K593 PolarHBondContact O-NZ 3.22Å; L583-M596 HydrophobicContact CD2-CE 3.23Å; L583-M596 HydrophobicContact CG-CE 3.7Å; L583-A597 HydrophobicContact CD2-CB 4.28Å; L583-L601 HydrophobicContact CD1-CD1 3.85Å; L583-F609 HydrophobicContact CB-CD2 4.46Å; L583-F609 HydrophobicContact CB-CE2 3.82Å; L583-F609 HydrophobicContact CB-CZ 4.31Å; L583-F609 HydrophobicContact CD1-CD2 4.04Å; L583-F609 HydrophobicContact CD1-CE2 4.07Å; L583-F609 HydrophobicContact CD1-CG 4.42Å; L583-F609 HydrophobicContact CD1-CZ 4.45Å; L583-F609 HydrophobicContact CD2-CE1 4.07Å; L583-F609 HydrophobicContact CD2-CE2 3.95Å; L583-F609 HydrophobicContact CD2-CZ 3.63Å; L583-F609 HydrophobicContact CG-CE2 4.17Å; L583-F609 HydrophobicContact CG-CZ 4.35Å
584	K	82.1	Confident	75.4	Confident	122 Å²	122	52.8 Å²	52.8	53%	0.53	28%	0.281	S	S	.	.	H	α-helix	trans	-80.5	-16.3	175.3	-75.8	165.6	-160.3	160	0	114.2	D580 D581 V582 Q586	D580-K584 WeakPolarHBondContact O-CB 3.05Å; D580-K584 WeakPolarHBondContact O-CD 3.34Å; D580-K584 WeakPolarHBondContact O-CG 3.48Å; D580-K584 PolarHBondContact O-N 3.19Å; D581-K584 PolarHBondContact O-N 2.84Å; D581-K584 IonicContact OD1-NZ 3.25Å; D581-K584 PolarHBondContact OD1-NZ 2.77Å; V582-K584 VanDerWaalsContact C-N 3.26Å; V582-K584 PolarHBondContact O-N 2.99Å; K584-Q586 PolarHBondContact O-N 3.44Å
585	L	79.3	Confident	77.3	Confident	41 Å²	41	52.2 Å²	52.2	22%	0.215	28%	0.275	C	S	.	.			trans	-56.9	134.9	-179.9	-70.7	171.6	0	0	0	110.8	K563 A564 D581 V582 I588 K593	K563-L585 HydrophobicContact CB-CD1 4.44Å; A564-L585 HydrophobicContact CB-CD1 3.64Å; D581-L585 PolarHBondContact O-N 3.08Å; V582-L585 HydrophobicContact CG1-CD1 4.36Å; V582-L585 WeakPolarHBondContact O-CB 3.17Å; V582-L585 PolarHBondContact O-N 3.44Å; L585-I588 HydrophobicContact CB-CD1 3.68Å; L585-I588 HydrophobicContact CB-CG1 4.27Å; L585-I588 HydrophobicContact CD1-CD1 3.97Å; L585-I588 HydrophobicContact CG-CD1 4.46Å; L585-K593 WeakPolarHBondContact O-CE 3.26Å; L585-K593 PolarHBondContact O-NZ 2.92Å
586	Q	76.3	Confident	79.2	Confident	151 Å²	151	48.9 Å²	48.9	71%	0.706	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	161.1	174.3	-67.3	179.9	-17.2	0	0	110.1	N560 K584 I588	N560-Q586 PolarHBondContact ND2-O 2.61Å; K584-Q586 PolarHBondContact O-N 3.44Å; Q586-I588 PolarHBondContact O-N 3.44Å; Q586-I588 VanDerWaalsContact O-N 3.09Å
587	D	81.4	Confident	81.4	Confident	131 Å²	131	38.2 Å²	38.2	70%	0.701	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	17.1	177.1	-39.5	-42.8	0	0	0	117.1	N560	N560-D587 PolarHBondContact ND2-OD2 3.02Å
588	I	88.5	Confident	83.2	Confident	11 Å²	11	36.2 Å²	36.2	6%	0.056	19%	0.187	C	C	.	.	S	Bend	trans	-87.7	132.7	161.3	-59.2	177.4	0	0	0	107.7	N560 Y561 A564 L585 Q586 D592 K593	N560-I588 HydrophobicContact CB-CG1 4.46Å; Y561-I588 HydrophobicContact CD1-CG2 4.43Å; Y561-I588 HydrophobicContact CE1-CG2 3.79Å; A564-I588 HydrophobicContact CB-CD1 3.7Å; L585-I588 HydrophobicContact CB-CD1 3.68Å; L585-I588 HydrophobicContact CB-CG1 4.27Å; L585-I588 HydrophobicContact CD1-CD1 3.97Å; L585-I588 HydrophobicContact CG-CD1 4.46Å; Q586-I588 PolarHBondContact O-N 3.44Å; Q586-I588 VanDerWaalsContact O-N 3.09Å; I588-D592 HydrophobicContact CG2-CB 4.12Å; I588-K593 HydrophobicContact CB-CG 4.04Å; I588-K593 HydrophobicContact CG2-CG 3.72Å; I588-K593 WeakPolarHBondContact O-CE 3.45Å
589	A	89.3	Confident	84.2	Confident	30 Å²	30	34.7 Å²	34.7	25%	0.248	18%	0.176	C	C	.	.			trans	-55.8	141	-179.2	0	0	0	0	0	111.3	Y561 C591 D592 K593	Y561-A589 VanDerWaalsContact OH-CB 3.25Å; Y561-A589 WeakPolarHBondContact OH-CB 3.37Å; Y561-A589 PolarHBondContact OH-N 3.41Å; A589-C591 VanDerWaalsContact C-N 3.29Å; A589-C591 PolarHBondContact O-N 2.97Å; A589-D592 PolarHBondContact O-N 3.4Å; A589-K593 PolarHBondContact O-N 3.47Å
590	F	90.5	Very high	84.7	Confident	34 Å²	34	34.9 Å²	34.9	15%	0.149	18%	0.176	C	C	.	.	H	α-helix	trans	-53.7	-45.7	-175.7	-171.8	-87.7	0	0	0	112.2	D592 K593 V594 L613 Y624 L627	F590-D592 VanDerWaalsContact C-N 3.34Å; F590-D592 PolarHBondContact O-N 2.55Å; F590-K593 PolarHBondContact O-N 2.66Å; F590-V594 HydrophobicContact CD1-CG2 4.29Å; F590-V594 HydrophobicContact CE1-CG2 4.07Å; F590-V594 WeakPolarHBondContact O-CG2 3.45Å; F590-V594 PolarHBondContact O-N 2.91Å; F590-L613 HydrophobicContact CE2-CB 4.17Å; F590-L613 HydrophobicContact CE2-CD1 4.27Å; F590-L613 HydrophobicContact CE2-CD2 4.08Å; F590-L613 HydrophobicContact CE2-CG 4.43Å; F590-L613 HydrophobicContact CZ-CB 4.1Å; F590-L613 HydrophobicContact CZ-CD1 4.12Å; F590-Y624 HydrophobicContact CB-CD1 4.17Å; F590-Y624 HydrophobicContact CB-CG 4.15Å; F590-Y624 WeakPolarHBondContact CE1-O 3.19Å; F590-Y624 HydrophobicContact CG-CG 4.2Å; F590-L627 HydrophobicContact CD1-CD2 3.79Å; F590-L627 HydrophobicContact CE1-CB 4.04Å; F590-L627 HydrophobicContact CE1-CD2 3.81Å; F590-L627 HydrophobicContact CE1-CG 4.42Å
591	C	91.8	Very high	85.1	Confident	12 Å²	12	31.7 Å²	31.7	8%	0.081	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-38.6	177.8	-66.5	0	0	0	0	113.3	W396 C466 A589 V594 A595	W396-C591 PolarHBondContact NE1-SG 3.12Å; C466-C591 HydrophobicContact CB-CB 4.28Å; A589-C591 VanDerWaalsContact C-N 3.29Å; A589-C591 PolarHBondContact O-N 2.97Å; C591-V594 PolarHBondContact O-N 2.71Å; C591-A595 WeakPolarHBondContact O-CB 3.47Å; C591-A595 PolarHBondContact O-N 2.81Å
592	D	91.4	Very high	85.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-73.8	-35.3	-175.9	-64.4	-30.9	0	0	0	111.7	W468 R494 F497 Y561 I588 A589 F590 V594 A595 M596	W468-D592 HydrophobicContact CZ2-CB 4.23Å; W468-D592 PolarHBondContact NE1-OD1 3.07Å; R494-D592 IonicContact CZ-OD2 3.41Å; R494-D592 VanDerWaalsContact CZ-OD2 3.23Å; R494-D592 IonicContact NE-OD2 2.87Å; R494-D592 PolarHBondContact NE-OD2 2.8Å; R494-D592 IonicContact NH2-OD1 3.36Å; R494-D592 IonicContact NH2-OD2 3.62Å; R494-D592 PolarHBondContact NH2-OD2 3.42Å; F497-D592 HydrophobicContact CE1-CB 4.23Å; Y561-D592 HydrophobicContact CE1-CB 4.38Å; Y561-D592 PolarHBondContact OH-OD2 3.3Å; I588-D592 HydrophobicContact CG2-CB 4.12Å; A589-D592 PolarHBondContact O-N 3.4Å; F590-D592 VanDerWaalsContact C-N 3.34Å; F590-D592 PolarHBondContact O-N 2.55Å; D592-V594 VanDerWaalsContact C-N 3.32Å; D592-V594 PolarHBondContact O-N 2.73Å; D592-A595 PolarHBondContact O-N 2.95Å; D592-M596 VanDerWaalsContact O-CB 3.26Å; D592-M596 WeakPolarHBondContact O-CB 3.36Å; D592-M596 PolarHBondContact O-N 3.04Å
593	K	90.8	Very high	85.8	Confident	34 Å²	34	34.5 Å²	34.5	15%	0.148	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-44.7	171.2	-66.8	-173.2	178.8	-171.2	0	111.4	L583 L585 I588 A589 F590 A597 F609	L583-K593 HydrophobicContact CD2-CB 4.42Å; L583-K593 WeakPolarHBondContact CD2-O 3.4Å; L583-K593 PolarHBondContact O-NZ 3.22Å; L585-K593 WeakPolarHBondContact O-CE 3.26Å; L585-K593 PolarHBondContact O-NZ 2.92Å; I588-K593 HydrophobicContact CB-CG 4.04Å; I588-K593 HydrophobicContact CG2-CG 3.72Å; I588-K593 WeakPolarHBondContact O-CE 3.45Å; A589-K593 PolarHBondContact O-N 3.47Å; F590-K593 PolarHBondContact O-N 2.66Å; K593-A597 WeakPolarHBondContact O-CB 3.35Å; K593-A597 PolarHBondContact O-N 3.08Å; K593-F609 HydrophobicContact CB-CZ 4.21Å
594	V	91.9	Very high	85.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.9	-42.7	-179.9	-178.9	0	0	0	0	111.2	I423 F590 C591 D592 M596 A597 L598 F609 L613 L627	I423-V594 HydrophobicContact CD1-CB 4.45Å; I423-V594 HydrophobicContact CD1-CG1 3.27Å; F590-V594 HydrophobicContact CD1-CG2 4.29Å; F590-V594 HydrophobicContact CE1-CG2 4.07Å; F590-V594 WeakPolarHBondContact O-CG2 3.45Å; F590-V594 PolarHBondContact O-N 2.91Å; C591-V594 PolarHBondContact O-N 2.71Å; D592-V594 VanDerWaalsContact C-N 3.32Å; D592-V594 PolarHBondContact O-N 2.73Å; V594-M596 VanDerWaalsContact C-N 3.34Å; V594-M596 PolarHBondContact O-N 3.39Å; V594-A597 WeakPolarHBondContact O-CB 3.26Å; V594-A597 PolarHBondContact O-N 2.81Å; V594-L598 HydrophobicContact CG1-CD1 4.1Å; V594-L598 HydrophobicContact CG1-CG 4.44Å; V594-L598 VanDerWaalsContact O-CG 3.31Å; V594-L598 WeakPolarHBondContact O-CG 3.38Å; V594-L598 PolarHBondContact O-N 2.83Å; V594-F609 HydrophobicContact CG2-CE1 4.5Å; V594-L613 HydrophobicContact CG2-CD1 3.42Å; V594-L613 VanDerWaalsContact CG2-CD1 3.42Å; V594-L627 HydrophobicContact CB-CD2 4.35Å; V594-L627 HydrophobicContact CG2-CD2 4.23Å
595	A	89.9	Confident	86.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-43.2	175.5	0	0	0	0	0	112.4	L463 C466 W468 C591 D592 L598 L599	L463-A595 HydrophobicContact CD2-CB 3.74Å; C466-A595 HydrophobicContact CB-CB 3.9Å; W468-A595 HydrophobicContact CD2-CB 3.41Å; W468-A595 VanDerWaalsContact CD2-CB 3.41Å; W468-A595 HydrophobicContact CE3-CB 3.68Å; W468-A595 HydrophobicContact CG-CB 3.97Å; W468-A595 HydrophobicContact CH2-CB 3.82Å; W468-A595 HydrophobicContact CZ2-CB 3.56Å; W468-A595 HydrophobicContact CZ3-CB 3.88Å; C591-A595 WeakPolarHBondContact O-CB 3.47Å; C591-A595 PolarHBondContact O-N 2.81Å; D592-A595 PolarHBondContact O-N 2.95Å; A595-L598 WeakPolarHBondContact O-CB 3.47Å; A595-L598 PolarHBondContact O-N 2.76Å; A595-L599 PolarHBondContact O-N 2.78Å
596	M	87.2	Confident	86.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-42.3	175.3	-170.3	-175.2	62	0	0	111.6	F497 I501 M579 V582 L583 D592 V594 L598 L599 Y600	F497-M596 HydrophobicContact CE2-SD 4.28Å; F497-M596 HydrophobicContact CZ-SD 3.81Å; I501-M596 HydrophobicContact CD1-SD 4.44Å; I501-M596 HydrophobicContact CG2-CB 4.5Å; I501-M596 HydrophobicContact CG2-CG 4.08Å; M579-M596 HydrophobicContact CE-CB 4.46Å; M579-M596 HydrophobicContact CE-CE 3.97Å; M579-M596 HydrophobicContact CE-CG 3.55Å; M579-M596 WeakPolarHBondContact CE-O 3.45Å; M579-M596 HydrophobicContact CE-SD 4.12Å; M579-M596 HydrophobicContact SD-CE 4.27Å; M579-M596 HydrophobicContact SD-CG 4.48Å; M579-M596 HydrophobicContact SD-SD 4.38Å; V582-M596 HydrophobicContact CB-CE 3.84Å; V582-M596 HydrophobicContact CB-SD 4.34Å; V582-M596 HydrophobicContact CG1-CE 3.53Å; V582-M596 HydrophobicContact CG1-SD 3.62Å; L583-M596 HydrophobicContact CD2-CE 3.23Å; L583-M596 HydrophobicContact CG-CE 3.7Å; D592-M596 VanDerWaalsContact O-CB 3.26Å; D592-M596 WeakPolarHBondContact O-CB 3.36Å; D592-M596 PolarHBondContact O-N 3.04Å; V594-M596 VanDerWaalsContact C-N 3.34Å; V594-M596 PolarHBondContact O-N 3.39Å; M596-L598 VanDerWaalsContact C-N 3.35Å; M596-L598 PolarHBondContact O-N 2.91Å; M596-L599 PolarHBondContact O-N 3.37Å; M596-Y600 HydrophobicContact CG-CD2 4.34Å; M596-Y600 WeakPolarHBondContact O-CD2 3.4Å; M596-Y600 PolarHBondContact O-N 3.27Å
597	A	88.7	Confident	87.2	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-40.9	174	0	0	0	0	0	112.4	L583 K593 V594 L599 Y600 L601 L606 F609	L583-A597 HydrophobicContact CD2-CB 4.28Å; K593-A597 WeakPolarHBondContact O-CB 3.35Å; K593-A597 PolarHBondContact O-N 3.08Å; V594-A597 WeakPolarHBondContact O-CB 3.26Å; V594-A597 PolarHBondContact O-N 2.81Å; A597-L599 VanDerWaalsContact C-N 3.3Å; A597-L599 PolarHBondContact O-N 2.91Å; A597-Y600 PolarHBondContact O-N 2.81Å; A597-L601 HydrophobicContact CB-CD1 3.89Å; A597-L601 HydrophobicContact CB-CG 4.33Å; A597-L601 VanDerWaalsContact O-CB 3.32Å; A597-L601 WeakPolarHBondContact O-CB 3.41Å; A597-L601 PolarHBondContact O-N 2.86Å; A597-L606 HydrophobicContact CB-CD1 3.83Å; A597-F609 HydrophobicContact CB-CD1 3.51Å; A597-F609 HydrophobicContact CB-CE1 3.63Å; A597-F609 HydrophobicContact CB-CG 4.44Å
598	L	88	Confident	87.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-35.9	178	-75.7	163.2	0	0	0	113	I423 L427 R459 C462 L463 V594 A595 M596 L606	I423-L598 HydrophobicContact CD1-CD1 4.42Å; I423-L598 HydrophobicContact CG2-CD2 4.41Å; L427-L598 HydrophobicContact CD1-CD2 4.31Å; L427-L598 HydrophobicContact CD2-CD2 3.99Å; R459-L598 WeakPolarHBondContact CD-O 3.2Å; R459-L598 HydrophobicContact CG-CD2 4.37Å; R459-L598 PolarHBondContact NH1-O 3.49Å; C462-L598 HydrophobicContact CB-CD1 3.49Å; C462-L598 VanDerWaalsContact CB-CD1 3.49Å; C462-L598 HydrophobicContact CB-CD2 3.58Å; C462-L598 HydrophobicContact CB-CG 4.21Å; L463-L598 HydrophobicContact CD2-CB 4.02Å; L463-L598 HydrophobicContact CD2-CD1 4.09Å; L463-L598 HydrophobicContact CG-CB 4.3Å; L463-L598 HydrophobicContact CG-CD1 4.25Å; V594-L598 HydrophobicContact CG1-CD1 4.1Å; V594-L598 HydrophobicContact CG1-CG 4.44Å; V594-L598 VanDerWaalsContact O-CG 3.31Å; V594-L598 WeakPolarHBondContact O-CG 3.38Å; V594-L598 PolarHBondContact O-N 2.83Å; A595-L598 WeakPolarHBondContact O-CB 3.47Å; A595-L598 PolarHBondContact O-N 2.76Å; M596-L598 VanDerWaalsContact C-N 3.35Å; M596-L598 PolarHBondContact O-N 2.91Å; L598-L606 HydrophobicContact CD2-CD1 4.29Å; L598-L606 HydrophobicContact CD2-CD2 3.93Å; L598-L606 HydrophobicContact CG-CD1 4.42Å
599	L	83.6	Confident	87.7	Confident	7 Å²	7	29.1 Å²	29.1	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-75.9	-38.4	-179.8	-72.3	174	0	0	0	113.2	I453 I455 L463 W468 I501 T502 A595 M596 A597	I453-L599 HydrophobicContact CD1-CD2 4.36Å; I453-L599 HydrophobicContact CG2-CD2 4.39Å; I455-L599 HydrophobicContact CG2-CD2 4.11Å; L463-L599 HydrophobicContact CD1-CD2 3.72Å; L463-L599 HydrophobicContact CD1-CG 4.29Å; L463-L599 HydrophobicContact CD2-CG 4.23Å; W468-L599 HydrophobicContact CE3-CD1 4.24Å; W468-L599 HydrophobicContact CZ3-CD1 3.61Å; I501-L599 HydrophobicContact CG2-CD1 4.14Å; T502-L599 HydrophobicContact CG2-CD1 4.32Å; A595-L599 PolarHBondContact O-N 2.78Å; M596-L599 PolarHBondContact O-N 3.37Å; A597-L599 VanDerWaalsContact C-N 3.3Å; A597-L599 PolarHBondContact O-N 2.91Å
600	Y	81.7	Confident	87.9	Confident	10 Å²	10	27.7 Å²	27.7	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-119.4	-22	-163.1	-66.6	-74.9	0	0	0	115.2	P441 L445 I501 F568 M579 M596 A597	P441-Y600 HydrophobicContact CB-CD1 4.25Å; P441-Y600 HydrophobicContact CB-CE1 4.47Å; P441-Y600 HydrophobicContact CG-CD1 4.38Å; L445-Y600 HydrophobicContact CD1-CE1 4.15Å; I501-Y600 HydrophobicContact CG2-CD2 4.49Å; I501-Y600 HydrophobicContact CG2-CE2 3.71Å; I501-Y600 PolarHBondContact O-OH 2.62Å; F568-Y600 HydrophobicContact CE2-CD1 4.05Å; F568-Y600 AromaticContact CE2-CD2 3.94Å; F568-Y600 HydrophobicContact CE2-CD2 3.94Å; F568-Y600 AromaticContact CE2-CE1 3.93Å; F568-Y600 HydrophobicContact CE2-CE1 3.93Å; F568-Y600 AromaticContact CE2-CE2 3.86Å; F568-Y600 HydrophobicContact CE2-CE2 3.86Å; F568-Y600 HydrophobicContact CE2-CG 4.06Å; F568-Y600 AromaticContact CE2-CZ 3.83Å; F568-Y600 HydrophobicContact CZ-CD1 4.21Å; F568-Y600 HydrophobicContact CZ-CD2 4.41Å; F568-Y600 AromaticContact CZ-CE1 3.63Å; F568-Y600 HydrophobicContact CZ-CE1 3.63Å; F568-Y600 AromaticContact CZ-CE2 3.89Å; F568-Y600 HydrophobicContact CZ-CE2 3.89Å; F568-Y600 AromaticContact CZ-CZ 3.44Å; F568-Y600 VanDerWaalsContact CZ-CZ 3.44Å; M579-Y600 HydrophobicContact CE-CD2 4.22Å; M579-Y600 HydrophobicContact CE-CG 4.25Å; M596-Y600 HydrophobicContact CG-CD2 4.34Å; M596-Y600 WeakPolarHBondContact O-CD2 3.4Å; M596-Y600 PolarHBondContact O-N 3.27Å; A597-Y600 PolarHBondContact O-N 2.81Å
601	L	83.6	Confident	87.9	Confident	4 Å²	4	29 Å²	29	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	-84	138.9	178.2	-65.4	-175.6	0	0	0	111.8	R459 M579 L583 A597 R605 L606 F609	R459-L601 PolarHBondContact NH1-O 2.96Å; R459-L601 VanDerWaalsContact NH1-O 3.14Å; R459-L601 PolarHBondContact NH2-O 2.78Å; M579-L601 HydrophobicContact CB-CD2 4.38Å; M579-L601 HydrophobicContact CG-CD2 3.75Å; M579-L601 HydrophobicContact CG-CG 4.47Å; L583-L601 HydrophobicContact CD1-CD1 3.85Å; A597-L601 HydrophobicContact CB-CD1 3.89Å; A597-L601 HydrophobicContact CB-CG 4.33Å; A597-L601 VanDerWaalsContact O-CB 3.32Å; A597-L601 WeakPolarHBondContact O-CB 3.41Å; A597-L601 PolarHBondContact O-N 2.86Å; L601-R605 HydrophobicContact CB-CB 4.29Å; L601-R605 HydrophobicContact CD1-CB 4.37Å; L601-R605 HydrophobicContact CD2-CB 4.33Å; L601-L606 HydrophobicContact CB-CB 4.07Å; L601-F609 HydrophobicContact CD1-CB 4.08Å; L601-F609 HydrophobicContact CD1-CG 4.39Å
602	P	80.9	Confident	88	Confident	43 Å²	43	33.7 Å²	33.7	28%	0.279	17%	0.168	S	C	.	.			trans	-66.8	155.3	167.5	29.9	-34.9	0	0	0	110.4	H604 R605 L606	P602-H604 VanDerWaalsContact C-N 3.3Å; P602-H604 PolarHBondContact O-N 3.13Å; P602-H604 VanDerWaalsContact O-N 3.11Å; P602-R605 HydrophobicContact CG-CB 4.1Å; P602-R605 HydrophobicContact CG-CG 4.21Å; P602-R605 VanDerWaalsContact CG-NE 3.34Å; P602-R605 PolarHBondContact O-N 2.88Å; P602-L606 WeakPolarHBondContact O-CB 3.41Å; P602-L606 PolarHBondContact O-N 2.86Å
603	M	83.5	Confident	87.9	Confident	82 Å²	82	34.4 Å²	34.4	40%	0.404	17%	0.171	S	C	.	.	H	α-helix	trans	-50.7	-44	-169.7	-169.1	63.5	85.1	0	0	114	L427 R605 L606 M607	L427-M603 HydrophobicContact CD2-CE 4.43Å; M603-R605 PolarHBondContact O-N 3.5Å; M603-L606 PolarHBondContact O-N 2.77Å; M603-L606 HydrophobicContact SD-CD2 4.23Å; M603-M607 WeakPolarHBondContact O-CG 3.36Å; M603-M607 PolarHBondContact O-N 2.85Å; M603-M607 HydrophobicContact SD-CG 4.42Å
604	H	84.1	Confident	88	Confident	139 Å²	139	33 Å²	33	64%	0.644	17%	0.166	S	C	*	.	H	α-helix	trans	-63.3	-43	179.7	72.7	-84.4	0	0	0	113.2	P602 A608	P602-H604 VanDerWaalsContact C-N 3.3Å; P602-H604 PolarHBondContact O-N 3.13Å; P602-H604 VanDerWaalsContact O-N 3.11Å; H604-A608 PolarHBondContact O-N 3.31Å
605	R	85.6	Confident	88	Confident	95 Å²	95	38.2 Å²	38.2	36%	0.358	19%	0.193	S	C	.	.	H	α-helix	trans	-71.2	-37.5	176.3	-76.5	-167.8	-82.4	173.6	-1.6	111.7	L601 P602 M603 A608 F609	L601-R605 HydrophobicContact CB-CB 4.29Å; L601-R605 HydrophobicContact CD1-CB 4.37Å; L601-R605 HydrophobicContact CD2-CB 4.33Å; P602-R605 HydrophobicContact CG-CB 4.1Å; P602-R605 HydrophobicContact CG-CG 4.21Å; P602-R605 VanDerWaalsContact CG-NE 3.34Å; P602-R605 PolarHBondContact O-N 2.88Å; M603-R605 PolarHBondContact O-N 3.5Å; R605-A608 PolarHBondContact O-N 3.32Å; R605-F609 WeakPolarHBondContact O-CB 3.47Å; R605-F609 PolarHBondContact O-N 2.95Å
606	L	87.8	Confident	88.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-48.4	175.8	174.4	62	0	0	0	111	L427 A597 L598 L601 P602 M603 F609 V610	L427-L606 HydrophobicContact CD1-CD2 3.75Å; L427-L606 HydrophobicContact CD1-CG 4.2Å; L427-L606 HydrophobicContact CD2-CD2 4.24Å; A597-L606 HydrophobicContact CB-CD1 3.83Å; L598-L606 HydrophobicContact CD2-CD1 4.29Å; L598-L606 HydrophobicContact CD2-CD2 3.93Å; L598-L606 HydrophobicContact CG-CD1 4.42Å; L601-L606 HydrophobicContact CB-CB 4.07Å; P602-L606 WeakPolarHBondContact O-CB 3.41Å; P602-L606 PolarHBondContact O-N 2.86Å; M603-L606 PolarHBondContact O-N 2.77Å; M603-L606 HydrophobicContact SD-CD2 4.23Å; L606-F609 WeakPolarHBondContact O-CB 3.42Å; L606-F609 PolarHBondContact O-N 3.29Å; L606-V610 HydrophobicContact CD1-CG2 4.23Å; L606-V610 WeakPolarHBondContact O-CG2 3.48Å; L606-V610 PolarHBondContact O-N 2.96Å
607	M	90.3	Very high	88.4	Confident	37 Å²	37	42.5 Å²	42.5	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-44.8	178.2	-69.3	-57.3	-66.7	0	0	111.7	K424 L427 L428 M603 F609 V610 D611	K424-M607 HydrophobicContact CG-CE 4.21Å; L427-M607 HydrophobicContact CD1-SD 4.04Å; L428-M607 HydrophobicContact CD1-CE 4.47Å; M603-M607 WeakPolarHBondContact O-CG 3.36Å; M603-M607 PolarHBondContact O-N 2.85Å; M603-M607 HydrophobicContact SD-CG 4.42Å; M607-F609 VanDerWaalsContact C-N 3.28Å; M607-F609 PolarHBondContact O-N 3.35Å; M607-V610 PolarHBondContact O-N 2.85Å; M607-D611 WeakPolarHBondContact O-CB 3.42Å; M607-D611 PolarHBondContact O-N 2.76Å
608	A	90.8	Very high	88.5	Confident	59 Å²	59	45.7 Å²	45.7	49%	0.488	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-37.1	175.4	0	0	0	0	0	112.8	H604 R605 K612	H604-A608 PolarHBondContact O-N 3.31Å; R605-A608 PolarHBondContact O-N 3.32Å; A608-K612 WeakPolarHBondContact O-CB 3.45Å; A608-K612 PolarHBondContact O-N 3.43Å
609	F	91.3	Very high	88.6	Confident	23 Å²	23	49.1 Å²	49.1	10%	0.101	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-44.5	175.2	174.7	-107.2	0	0	0	112.2	L583 K593 V594 A597 L601 R605 L606 M607 D611 K612 L613	L583-F609 HydrophobicContact CB-CD2 4.46Å; L583-F609 HydrophobicContact CB-CE2 3.82Å; L583-F609 HydrophobicContact CB-CZ 4.31Å; L583-F609 HydrophobicContact CD1-CD2 4.04Å; L583-F609 HydrophobicContact CD1-CE2 4.07Å; L583-F609 HydrophobicContact CD1-CG 4.42Å; L583-F609 HydrophobicContact CD1-CZ 4.45Å; L583-F609 HydrophobicContact CD2-CE1 4.07Å; L583-F609 HydrophobicContact CD2-CE2 3.95Å; L583-F609 HydrophobicContact CD2-CZ 3.63Å; L583-F609 HydrophobicContact CG-CE2 4.17Å; L583-F609 HydrophobicContact CG-CZ 4.35Å; K593-F609 HydrophobicContact CB-CZ 4.21Å; V594-F609 HydrophobicContact CG2-CE1 4.5Å; A597-F609 HydrophobicContact CB-CD1 3.51Å; A597-F609 HydrophobicContact CB-CE1 3.63Å; A597-F609 HydrophobicContact CB-CG 4.44Å; L601-F609 HydrophobicContact CD1-CB 4.08Å; L601-F609 HydrophobicContact CD1-CG 4.39Å; R605-F609 WeakPolarHBondContact O-CB 3.47Å; R605-F609 PolarHBondContact O-N 2.95Å; L606-F609 WeakPolarHBondContact O-CB 3.42Å; L606-F609 PolarHBondContact O-N 3.29Å; M607-F609 VanDerWaalsContact C-N 3.28Å; M607-F609 PolarHBondContact O-N 3.35Å; F609-D611 VanDerWaalsContact C-N 3.34Å; F609-D611 PolarHBondContact O-N 2.66Å; F609-K612 WeakPolarHBondContact O-CB 3.3Å; F609-K612 PolarHBondContact O-N 2.68Å; F609-L613 HydrophobicContact CD1-CD1 4.08Å; F609-L613 HydrophobicContact CE1-CD1 3.34Å; F609-L613 HydrophobicContact CE1-CG 4Å; F609-L613 HydrophobicContact CE2-CD1 4.24Å; F609-L613 HydrophobicContact CE2-CD2 4.27Å; F609-L613 HydrophobicContact CE2-CG 4.04Å; F609-L613 HydrophobicContact CZ-CD1 3.43Å; F609-L613 VanDerWaalsContact CZ-CD1 3.43Å; F609-L613 HydrophobicContact CZ-CD2 4.03Å; F609-L613 HydrophobicContact CZ-CG 3.72Å; F609-L613 PolarHBondContact O-N 2.79Å
610	V	91.8	Very high	89	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-40.3	176.4	172.1	0	0	0	0	111.1	K424 L606 M607 K612 L613 L614 C628	K424-V610 HydrophobicContact CD-CG1 4.36Å; K424-V610 HydrophobicContact CG-CG1 3.74Å; L606-V610 HydrophobicContact CD1-CG2 4.23Å; L606-V610 WeakPolarHBondContact O-CG2 3.48Å; L606-V610 PolarHBondContact O-N 2.96Å; M607-V610 PolarHBondContact O-N 2.85Å; V610-K612 VanDerWaalsContact C-N 3.34Å; V610-K612 PolarHBondContact O-N 3.09Å; V610-L613 PolarHBondContact O-N 2.64Å; V610-L614 WeakPolarHBondContact O-CB 3.31Å; V610-L614 PolarHBondContact O-N 3.44Å; V610-C628 HydrophobicContact CG1-CB 3.86Å
611	D	92.2	Very high	89.4	Confident	63 Å²	63	51.5 Å²	51.5	34%	0.337	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-41.5	174	-73.8	-32.3	0	0	0	112	K424 M607 F609 L614 N615	K424-D611 WeakPolarHBondContact CE-OD1 2.94Å; K424-D611 IonicContact NZ-OD1 3.87Å; K424-D611 PolarHBondContact NZ-OD1 3.09Å; M607-D611 WeakPolarHBondContact O-CB 3.42Å; M607-D611 PolarHBondContact O-N 2.76Å; F609-D611 VanDerWaalsContact C-N 3.34Å; F609-D611 PolarHBondContact O-N 2.66Å; D611-L614 PolarHBondContact O-N 3.02Å; D611-N615 VanDerWaalsContact O-CG 3.28Å; D611-N615 PolarHBondContact O-N 3.04Å; D611-N615 PolarHBondContact O-ND2 3.06Å
612	K	92.4	Very high	90	Very high	109 Å²	109	52.1 Å²	52.1	47%	0.474	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-49.5	175.1	-174.9	-175.4	174.5	-173	0	111.8	A608 F609 V610 L614 N615 D616	A608-K612 WeakPolarHBondContact O-CB 3.45Å; A608-K612 PolarHBondContact O-N 3.43Å; F609-K612 WeakPolarHBondContact O-CB 3.3Å; F609-K612 PolarHBondContact O-N 2.68Å; V610-K612 VanDerWaalsContact C-N 3.34Å; V610-K612 PolarHBondContact O-N 3.09Å; K612-L614 PolarHBondContact O-N 3.29Å; K612-N615 PolarHBondContact O-N 3.26Å; K612-N615 VanDerWaalsContact O-N 3.17Å; K612-D616 PolarHBondContact O-N 2.9Å
613	L	90.9	Very high	90.7	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-36.8	177.6	-76.4	-177.9	0	0	0	112.5	F590 V594 F609 V610 S617	F590-L613 HydrophobicContact CE2-CB 4.17Å; F590-L613 HydrophobicContact CE2-CD1 4.27Å; F590-L613 HydrophobicContact CE2-CD2 4.08Å; F590-L613 HydrophobicContact CE2-CG 4.43Å; F590-L613 HydrophobicContact CZ-CB 4.1Å; F590-L613 HydrophobicContact CZ-CD1 4.12Å; V594-L613 HydrophobicContact CG2-CD1 3.42Å; V594-L613 VanDerWaalsContact CG2-CD1 3.42Å; F609-L613 HydrophobicContact CD1-CD1 4.08Å; F609-L613 HydrophobicContact CE1-CD1 3.34Å; F609-L613 HydrophobicContact CE1-CG 4Å; F609-L613 HydrophobicContact CE2-CD1 4.24Å; F609-L613 HydrophobicContact CE2-CD2 4.27Å; F609-L613 HydrophobicContact CE2-CG 4.04Å; F609-L613 HydrophobicContact CZ-CD1 3.43Å; F609-L613 VanDerWaalsContact CZ-CD1 3.43Å; F609-L613 HydrophobicContact CZ-CD2 4.03Å; F609-L613 HydrophobicContact CZ-CG 3.72Å; F609-L613 PolarHBondContact O-N 2.79Å; V610-L613 PolarHBondContact O-N 2.64Å; L613-S617 WeakPolarHBondContact O-CB 3.4Å; L613-S617 PolarHBondContact O-N 3.02Å; L613-S617 PolarHBondContact O-OG 3.15Å
614	L	91.3	Very high	91.2	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-56.2	173.7	-174.1	59.7	0	0	0	109.2	V610 D611 K612 D616 S617 W618 C628 T629	V610-L614 WeakPolarHBondContact O-CB 3.31Å; V610-L614 PolarHBondContact O-N 3.44Å; D611-L614 PolarHBondContact O-N 3.02Å; K612-L614 PolarHBondContact O-N 3.29Å; L614-D616 PolarHBondContact O-N 3.49Å; L614-D616 VanDerWaalsContact O-N 3.16Å; L614-S617 CarbonylContact O-C 3.58Å; L614-S617 WeakPolarHBondContact O-CA 3.31Å; L614-S617 WeakPolarHBondContact O-CB 3.44Å; L614-S617 PolarHBondContact O-N 3.49Å; L614-W618 VanDerWaalsContact CD1-CD1 3.48Å; L614-W618 VanDerWaalsContact CG-NE1 3.34Å; L614-W618 PolarHBondContact O-N 2.9Å; L614-C628 HydrophobicContact CD1-CB 4.4Å; L614-T629 HydrophobicContact CD1-CG2 3.48Å; L614-T629 VanDerWaalsContact CD1-CG2 3.48Å; L614-T629 HydrophobicContact CD2-CG2 3.77Å; L614-T629 HydrophobicContact CG-CG2 4.29Å
615	N	92.7	Very high	91.8	Very high	109 Å²	109	41.9 Å²	41.9	58%	0.583	23%	0.228	S	C	*	.	H	α-helix	trans	-53.7	-40.2	178.9	-69.1	-28.1	0	0	0	113.3	D611 K612 W618 A619	D611-N615 VanDerWaalsContact O-CG 3.28Å; D611-N615 PolarHBondContact O-N 3.04Å; D611-N615 PolarHBondContact O-ND2 3.06Å; K612-N615 PolarHBondContact O-N 3.26Å; K612-N615 VanDerWaalsContact O-N 3.17Å; N615-W618 WeakPolarHBondContact O-CB 3.39Å; N615-W618 PolarHBondContact O-N 3.01Å; N615-A619 PolarHBondContact O-N 2.99Å
616	D	91.9	Very high	92.2	Very high	86 Å²	86	37.4 Å²	37.4	46%	0.46	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-44.3	175.5	-66.6	-19.4	0	0	0	111.4	K612 L614 W618 A619 S620	K612-D616 PolarHBondContact O-N 2.9Å; L614-D616 PolarHBondContact O-N 3.49Å; L614-D616 VanDerWaalsContact O-N 3.16Å; D616-W618 VanDerWaalsContact C-N 3.27Å; D616-W618 PolarHBondContact O-N 3.15Å; D616-A619 PolarHBondContact O-N 3.03Å; D616-A619 VanDerWaalsContact O-N 3.16Å; D616-S620 PolarHBondContact O-N 3.27Å; D616-S620 PolarHBondContact O-OG 3.35Å
617	S	92.8	Very high	92.6	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-34	176.5	-57.6	0	0	0	0	112.1	L613 L614 S620 G621 S622	L613-S617 WeakPolarHBondContact O-CB 3.4Å; L613-S617 PolarHBondContact O-N 3.02Å; L613-S617 PolarHBondContact O-OG 3.15Å; L614-S617 CarbonylContact O-C 3.58Å; L614-S617 WeakPolarHBondContact O-CA 3.31Å; L614-S617 WeakPolarHBondContact O-CB 3.44Å; L614-S617 PolarHBondContact O-N 3.49Å; S617-S620 PolarHBondContact O-OG 2.92Å; S617-G621 CarbonylContact O-C 3.57Å; S617-G621 WeakPolarHBondContact O-CA 3.48Å; S617-G621 PolarHBondContact O-N 3.22Å; S617-S622 PolarHBondContact O-N 3.17Å
618	W	90.4	Very high	92.7	Very high	67 Å²	67	35.6 Å²	35.6	25%	0.254	20%	0.202	S	C	.	.	H	α-helix	trans	-69.5	-41.1	172.3	-79.7	67.2	0	0	0	112.3	L614 N615 D616 S620 G621 D636 L640 N643	L614-W618 VanDerWaalsContact CD1-CD1 3.48Å; L614-W618 VanDerWaalsContact CG-NE1 3.34Å; L614-W618 PolarHBondContact O-N 2.9Å; N615-W618 WeakPolarHBondContact O-CB 3.39Å; N615-W618 PolarHBondContact O-N 3.01Å; D616-W618 VanDerWaalsContact C-N 3.27Å; D616-W618 PolarHBondContact O-N 3.15Å; W618-S620 PolarHBondContact O-N 2.79Å; W618-G621 PolarHBondContact O-N 2.79Å; W618-D636 HydrophobicContact CH2-CB 4.49Å; W618-D636 HydrophobicContact CZ2-CB 3.69Å; W618-D636 WeakPolarHBondContact CZ2-O 3.35Å; W618-L640 HydrophobicContact CG-CD1 4.24Å; W618-N643 PolarHBondContact O-ND2 3.48Å
619	A	90.5	Very high	92.7	Very high	72 Å²	72	33.4 Å²	33.4	60%	0.595	18%	0.182	S	C	*	.	H	α-helix	trans	-63.3	-34.8	176.7	0	0	0	0	0	111.8	N615 D616 R647	N615-A619 PolarHBondContact O-N 2.99Å; D616-A619 PolarHBondContact O-N 3.03Å; D616-A619 VanDerWaalsContact O-N 3.16Å; A619-R647 PolarHBondContact O-NH2 2.8Å
620	S	92	Very high	92.7	Very high	62 Å²	62	32.3 Å²	32.3	43%	0.434	18%	0.178	S	C	.	.	H	α-helix	trans	-89.3	-18.1	179.9	71.4	0	0	0	0	114.6	D616 S617 W618 S622 R647	D616-S620 PolarHBondContact O-N 3.27Å; D616-S620 PolarHBondContact O-OG 3.35Å; S617-S620 PolarHBondContact O-OG 2.92Å; W618-S620 PolarHBondContact O-N 2.79Å; S620-S622 WeakPolarHBondContact OG-CB 3.37Å; S620-S622 PolarHBondContact OG-N 2.92Å; S620-R647 WeakPolarHBondContact O-CD 3.28Å; S620-R647 PolarHBondContact O-NH1 3.14Å
621	G	91.7	Very high	92.6	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	30.4	-170.4	0	0	0	0	0	113.4	S617 W618 N643	S617-G621 CarbonylContact O-C 3.57Å; S617-G621 WeakPolarHBondContact O-CA 3.48Å; S617-G621 PolarHBondContact O-N 3.22Å; W618-G621 PolarHBondContact O-N 2.79Å; G621-N643 WeakPolarHBondContact CA-ND2 3.35Å; G621-N643 PolarHBondContact N-ND2 2.85Å
622	S	94.8	Very high	92	Very high	18 Å²	18	30 Å²	30	13%	0.126	17%	0.167	C	C	.	.			trans	-85.4	124.6	-175	170.5	0	0	0	0	111.9	Q393 S617 S620 Y624 G625	Q393-S622 PolarHBondContact NE2-OG 2.96Å; S617-S622 PolarHBondContact O-N 3.17Å; S620-S622 WeakPolarHBondContact OG-CB 3.37Å; S620-S622 PolarHBondContact OG-N 2.92Å; S622-Y624 PolarHBondContact O-N 3Å; S622-Y624 VanDerWaalsContact O-N 3.14Å; S622-Y624 WeakPolarHBondContact OG-CB 3.43Å; S622-Y624 WeakPolarHBondContact OG-CD2 3.22Å; S622-Y624 PolarHBondContact OG-N 3.29Å; S622-G625 PolarHBondContact O-N 3.43Å
623	L	96	Very high	91.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-66.1	-11.7	175	-63.7	177.7	0	0	0	113.5	Q393 L394 W396 L397 G625 L626 Y644	Q393-L623 HydrophobicContact CG-CB 4Å; Q393-L623 VanDerWaalsContact NE2-N 3.14Å; L394-L623 HydrophobicContact CD2-CD1 3.87Å; W396-L623 WeakPolarHBondContact CZ3-O 3.47Å; L397-L623 HydrophobicContact CD2-CD1 3.78Å; L623-G625 PolarHBondContact O-N 2.78Å; L623-G625 VanDerWaalsContact O-N 3.14Å; L623-L626 HydrophobicContact CB-CD1 4.35Å; L623-L626 HydrophobicContact CD2-CD1 3.96Å; L623-L626 VanDerWaalsContact O-CB 3.27Å; L623-L626 WeakPolarHBondContact O-CB 3.43Å; L623-L626 WeakPolarHBondContact O-CG 3.32Å; L623-L626 PolarHBondContact O-N 2.9Å; L623-Y644 HydrophobicContact CD1-CD1 4.15Å; L623-Y644 HydrophobicContact CD1-CD2 3.62Å; L623-Y644 HydrophobicContact CD1-CE1 4.12Å; L623-Y644 HydrophobicContact CD1-CE2 3.56Å; L623-Y644 HydrophobicContact CD1-CG 3.91Å; L623-Y644 HydrophobicContact CD2-CD1 4.24Å; L623-Y644 HydrophobicContact CD2-CD2 4.04Å; L623-Y644 HydrophobicContact CD2-CG 3.73Å; L623-Y644 HydrophobicContact CG-CD1 4.45Å; L623-Y644 HydrophobicContact CG-CD2 3.56Å; L623-Y644 HydrophobicContact CG-CE2 4.02Å; L623-Y644 HydrophobicContact CG-CG 3.8Å
624	Y	95	Very high	90.6	Very high	49 Å²	49	32.7 Å²	32.7	19%	0.192	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-55.7	-29.5	170.8	-66.9	-63.6	0	0	0	112.5	Q393 W396 F590 S622 L626 L627	Q393-Y624 HydrophobicContact CB-CE2 4.26Å; Q393-Y624 HydrophobicContact CG-CE2 4.26Å; W396-Y624 HydrophobicContact CB-CE1 3.97Å; W396-Y624 AromaticContact CD2-CD1 3.44Å; W396-Y624 HydrophobicContact CD2-CD1 3.44Å; W396-Y624 VanDerWaalsContact CD2-CD1 3.44Å; W396-Y624 AromaticContact CD2-CE1 3.39Å; W396-Y624 HydrophobicContact CD2-CE1 3.39Å; W396-Y624 AromaticContact CE2-CD1 3.72Å; W396-Y624 AromaticContact CE3-CD1 3.35Å; W396-Y624 HydrophobicContact CE3-CD1 3.35Å; W396-Y624 AromaticContact CE3-CE1 3.53Å; W396-Y624 HydrophobicContact CE3-CE1 3.53Å; W396-Y624 HydrophobicContact CE3-CG 4.33Å; W396-Y624 HydrophobicContact CG-CD1 4.12Å; W396-Y624 AromaticContact CG-CE1 3.57Å; W396-Y624 HydrophobicContact CG-CE1 3.57Å; W396-Y624 AromaticContact CH2-CD1 3.91Å; W396-Y624 HydrophobicContact CH2-CD1 3.91Å; W396-Y624 AromaticContact CZ2-CD1 3.95Å; W396-Y624 HydrophobicContact CZ2-CD1 3.95Å; W396-Y624 VanDerWaalsContact CZ3-CA 3.5Å; W396-Y624 AromaticContact CZ3-CD1 3.62Å; W396-Y624 HydrophobicContact CZ3-CD1 3.62Å; W396-Y624 HydrophobicContact CZ3-CE1 4.28Å; W396-Y624 HydrophobicContact CZ3-CG 4.3Å; F590-Y624 HydrophobicContact CB-CD1 4.17Å; F590-Y624 HydrophobicContact CB-CG 4.15Å; F590-Y624 WeakPolarHBondContact CE1-O 3.19Å; F590-Y624 HydrophobicContact CG-CG 4.2Å; S622-Y624 PolarHBondContact O-N 3Å; S622-Y624 VanDerWaalsContact O-N 3.14Å; S622-Y624 WeakPolarHBondContact OG-CB 3.43Å; S622-Y624 WeakPolarHBondContact OG-CD2 3.22Å; S622-Y624 PolarHBondContact OG-N 3.29Å; Y624-L626 PolarHBondContact O-N 3.49Å; Y624-L626 VanDerWaalsContact O-N 3.14Å; Y624-L627 VanDerWaalsContact O-CB 3.29Å; Y624-L627 WeakPolarHBondContact O-CB 3.48Å; Y624-L627 PolarHBondContact O-N 3.06Å
625	G	94.9	Very high	90.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-61.1	-19.1	174.8	0	0	0	0	0	114.4	S622 L623 L627 C628 T629	S622-G625 PolarHBondContact O-N 3.43Å; L623-G625 PolarHBondContact O-N 2.78Å; L623-G625 VanDerWaalsContact O-N 3.14Å; G625-L627 PolarHBondContact O-N 3.24Å; G625-C628 WeakPolarHBondContact O-CB 3.26Å; G625-C628 PolarHBondContact O-N 2.84Å; G625-T629 PolarHBondContact O-N 2.85Å
626	L	95.1	Very high	90	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-23.5	173.9	-67.8	177	0	0	0	112.5	L397 W400 L623 Y624 C628 G630 I631 L640 I641 L657	L397-L626 HydrophobicContact CD1-CD1 3.67Å; W400-L626 HydrophobicContact CH2-CB 4.01Å; W400-L626 WeakPolarHBondContact CH2-O 3.49Å; W400-L626 WeakPolarHBondContact CZ2-O 3.15Å; W400-L626 HydrophobicContact CZ3-CB 3.83Å; L623-L626 HydrophobicContact CB-CD1 4.35Å; L623-L626 HydrophobicContact CD2-CD1 3.96Å; L623-L626 VanDerWaalsContact O-CB 3.27Å; L623-L626 WeakPolarHBondContact O-CB 3.43Å; L623-L626 WeakPolarHBondContact O-CG 3.32Å; L623-L626 PolarHBondContact O-N 2.9Å; Y624-L626 PolarHBondContact O-N 3.49Å; Y624-L626 VanDerWaalsContact O-N 3.14Å; L626-C628 PolarHBondContact O-N 2.94Å; L626-G630 VanDerWaalsContact O-CA 3.25Å; L626-G630 WeakPolarHBondContact O-CA 3.42Å; L626-G630 PolarHBondContact O-N 2.87Å; L626-I631 HydrophobicContact CD1-CG1 4.5Å; L626-L640 HydrophobicContact CD2-CD2 4.08Å; L626-L640 HydrophobicContact CG-CD2 4.11Å; L626-I641 HydrophobicContact CD1-CG1 4.48Å; L626-I641 HydrophobicContact CD2-CD1 4.33Å; L626-I641 HydrophobicContact CD2-CG1 4.17Å; L626-L657 HydrophobicContact CD1-CD1 4.35Å
627	L	95.1	Very high	89.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-33.8	169.2	179.1	62.4	0	0	0	111.4	W396 W400 G422 I423 L465 F590 V594 Y624 G625	W396-L627 HydrophobicContact CH2-CB 4.09Å; W396-L627 HydrophobicContact CZ2-CB 4.03Å; W400-L627 VanDerWaalsContact NE1-CD1 3.3Å; G422-L627 WeakPolarHBondContact CA-O 3.38Å; I423-L627 HydrophobicContact CD1-CD1 3.81Å; I423-L627 HydrophobicContact CD1-CD2 4.08Å; I423-L627 HydrophobicContact CD1-CG 3.62Å; I423-L627 HydrophobicContact CG1-CD1 4.21Å; I423-L627 HydrophobicContact CG1-CG 4.31Å; I423-L627 WeakPolarHBondContact CG1-O 3.17Å; I423-L627 PolarHBondContact N-O 3.34Å; L465-L627 HydrophobicContact CB-CD1 3.92Å; F590-L627 HydrophobicContact CD1-CD2 3.79Å; F590-L627 HydrophobicContact CE1-CB 4.04Å; F590-L627 HydrophobicContact CE1-CD2 3.81Å; F590-L627 HydrophobicContact CE1-CG 4.42Å; V594-L627 HydrophobicContact CB-CD2 4.35Å; V594-L627 HydrophobicContact CG2-CD2 4.23Å; Y624-L627 VanDerWaalsContact O-CB 3.29Å; Y624-L627 WeakPolarHBondContact O-CB 3.48Å; Y624-L627 PolarHBondContact O-N 3.06Å; G625-L627 PolarHBondContact O-N 3.24Å
628	C	93.7	Very high	89.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-82.2	-46.5	-179.2	-57.4	0	0	0	0	112.3	I423 K424 V610 L614 G625 L626	I423-C628 PolarHBondContact N-O 2.87Å; K424-C628 WeakPolarHBondContact CB-O 3.3Å; K424-C628 PolarHBondContact N-O 3.5Å; K424-C628 VanDerWaalsContact N-O 3.12Å; V610-C628 HydrophobicContact CG1-CB 3.86Å; L614-C628 HydrophobicContact CD1-CB 4.4Å; G625-C628 WeakPolarHBondContact O-CB 3.26Å; G625-C628 PolarHBondContact O-N 2.84Å; L626-C628 PolarHBondContact O-N 2.94Å
629	T	91.4	Very high	89.7	Confident	12 Å²	12	33.1 Å²	33.1	7%	0.074	19%	0.192	C	C	.	.	H	α-helix	trans	-87.9	-26.9	-174.5	56.4	0	0	0	0	114.1	L614 G625 D636	L614-T629 HydrophobicContact CD1-CG2 3.48Å; L614-T629 VanDerWaalsContact CD1-CG2 3.48Å; L614-T629 HydrophobicContact CD2-CG2 3.77Å; L614-T629 HydrophobicContact CG-CG2 4.29Å; G625-T629 PolarHBondContact O-N 2.85Å; T629-D636 HydrophobicContact CG2-CB 3.99Å
630	G	91.4	Very high	89.9	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-178.3	-161.9	0	0	0	0	0	111.1	F420 G422 L626	F420-G630 CarbonylContact O-C 3.52Å; F420-G630 WeakPolarHBondContact O-CA 3.45Å; G422-G630 VanDerWaalsContact N-CA 3.28Å; L626-G630 VanDerWaalsContact O-CA 3.25Å; L626-G630 WeakPolarHBondContact O-CA 3.42Å; L626-G630 PolarHBondContact O-N 2.87Å
631	I	88.4	Confident	90	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.6	164	-54	-179.9	0	0	0	107.5	W400 L401 T418 F420 L626 L657 N661	W400-I631 HydrophobicContact CZ3-CG1 4.47Å; L401-I631 HydrophobicContact CD1-CD1 4.34Å; L401-I631 HydrophobicContact CD2-CD1 3.39Å; L401-I631 HydrophobicContact CD2-CG1 4.16Å; L401-I631 HydrophobicContact CG-CD1 4.49Å; T418-I631 WeakPolarHBondContact CB-O 3.21Å; T418-I631 PolarHBondContact OG1-O 3.26Å; F420-I631 HydrophobicContact CB-CB 4.14Å; F420-I631 HydrophobicContact CB-CD1 4.37Å; F420-I631 HydrophobicContact CB-CG1 4.18Å; F420-I631 HydrophobicContact CD2-CB 4.3Å; F420-I631 HydrophobicContact CD2-CD1 4.02Å; F420-I631 HydrophobicContact CG-CD1 4.32Å; F420-I631 PolarHBondContact O-N 3.41Å; L626-I631 HydrophobicContact CD1-CG1 4.5Å; I631-L657 HydrophobicContact CD1-CB 4.14Å; I631-L657 HydrophobicContact CD1-CD2 3.64Å; I631-L657 HydrophobicContact CD1-CG 4.42Å; I631-N661 HydrophobicContact CB-CB 4.18Å; I631-N661 HydrophobicContact CG2-CB 3.57Å; I631-N661 PolarHBondContact O-ND2 2.97Å; I631-N661 VanDerWaalsContact O-ND2 3.13Å; I631-N661 PolarHBondContact O-OD1 2.92Å
632	S	80.3	Confident	90.1	Very high	15 Å²	15	28.3 Å²	28.3	11%	0.105	15%	0.149	C	C	.	.			trans	-138.7	168.3	177.2	70.2	0	0	0	0	110.7	E634 S637	S632-E634 PolarHBondContact O-N 3.46Å; S632-E634 VanDerWaalsContact OG-CB 3.28Å; S632-E634 WeakPolarHBondContact OG-CB 3.24Å; S632-E634 WeakPolarHBondContact OG-CG 2.98Å; S632-E634 PolarHBondContact OG-N 3.38Å; S632-S637 PolarHBondContact N-OG 3.32Å; S632-S637 WeakPolarHBondContact O-CB 3.47Å; S632-S637 PolarHBondContact O-OG 3.49Å
633	A	74.1	Confident	90.1	Very high	56 Å²	56	29.2 Å²	29.2	46%	0.463	15%	0.153	S	C	.	.	S	Bend	trans	-75.6	2.2	169.9	0	0	0	0	0	112.8	F664	A633-F664 HydrophobicContact CB-CD1 4.33Å; A633-F664 HydrophobicContact CB-CD2 3.82Å; A633-F664 HydrophobicContact CB-CE1 4.3Å; A633-F664 HydrophobicContact CB-CE2 3.77Å; A633-F664 HydrophobicContact CB-CG 4.1Å; A633-F664 HydrophobicContact CB-CZ 4.03Å
634	E	79.6	Confident	90.2	Very high	125 Å²	125	29.4 Å²	29.4	58%	0.584	15%	0.153	S	C	*	.	S	Bend	trans	-68.1	151.4	177.3	-61	179	162	0	0	110.8	S632 D636 S637 V638	S632-E634 PolarHBondContact O-N 3.46Å; S632-E634 VanDerWaalsContact OG-CB 3.28Å; S632-E634 WeakPolarHBondContact OG-CB 3.24Å; S632-E634 WeakPolarHBondContact OG-CG 2.98Å; S632-E634 PolarHBondContact OG-N 3.38Å; E634-D636 PolarHBondContact O-N 2.99Å; E634-D636 VanDerWaalsContact O-N 3.09Å; E634-S637 PolarHBondContact O-N 3.48Å; E634-V638 WeakPolarHBondContact O-CG2 3.26Å; E634-V638 PolarHBondContact O-N 2.96Å; E634-V638 VanDerWaalsContact O-N 3.12Å
635	K	84.3	Confident	90.2	Very high	165 Å²	165	28.1 Å²	28.1	72%	0.717	15%	0.15	S	C	*	.	H	α-helix	trans	-52.9	-37.2	-178.2	-173.7	179.6	177	-173.9	0	111.9	S639	K635-S639 WeakPolarHBondContact O-CB 3.5Å; K635-S639 PolarHBondContact O-N 3.4Å; K635-S639 PolarHBondContact O-OG 3.5Å
636	D	87	Confident	90.3	Very high	63 Å²	63	33.1 Å²	33.1	34%	0.337	18%	0.177	S	C	.	.	H	α-helix	trans	-70.2	-47.3	-173	-71.2	-2.4	0	0	0	112.8	W618 T629 E634 L640	W618-D636 HydrophobicContact CH2-CB 4.49Å; W618-D636 HydrophobicContact CZ2-CB 3.69Å; W618-D636 WeakPolarHBondContact CZ2-O 3.35Å; T629-D636 HydrophobicContact CG2-CB 3.99Å; E634-D636 PolarHBondContact O-N 2.99Å; E634-D636 VanDerWaalsContact O-N 3.09Å; D636-L640 WeakPolarHBondContact O-CB 3.37Å; D636-L640 PolarHBondContact O-N 3.31Å; D636-L640 VanDerWaalsContact O-N 3.08Å
637	S	88.7	Confident	90.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-50.4	174.7	158.2	0	0	0	0	111.2	S632 E634 S639 L640 I641	S632-S637 PolarHBondContact N-OG 3.32Å; S632-S637 WeakPolarHBondContact O-CB 3.47Å; S632-S637 PolarHBondContact O-OG 3.49Å; E634-S637 PolarHBondContact O-N 3.48Å; S637-S639 VanDerWaalsContact C-N 3.33Å; S637-S639 PolarHBondContact O-N 3.22Å; S637-L640 PolarHBondContact O-N 3.49Å; S637-I641 WeakPolarHBondContact O-CG1 3.44Å; S637-I641 PolarHBondContact O-N 3.14Å; S637-I641 VanDerWaalsContact O-N 3.15Å
638	V	89.7	Confident	90.2	Very high	20 Å²	20	43 Å²	43	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-42	-177.4	173.5	0	0	0	0	111.6	E634 Q642 F658 L673 V674	E634-V638 WeakPolarHBondContact O-CG2 3.26Å; E634-V638 PolarHBondContact O-N 2.96Å; E634-V638 VanDerWaalsContact O-N 3.12Å; V638-Q642 WeakPolarHBondContact O-CB 3.09Å; V638-Q642 PolarHBondContact O-N 3Å; V638-F658 HydrophobicContact CG1-CZ 4.29Å; V638-F658 HydrophobicContact CG2-CE1 3.99Å; V638-F658 HydrophobicContact CG2-CZ 4.45Å; V638-L673 HydrophobicContact CG1-CD2 3.94Å; V638-V674 HydrophobicContact CG1-CG2 4.37Å; V638-V674 HydrophobicContact CG2-CG2 4.38Å
639	S	91.4	Very high	90.3	Very high	33 Å²	33	46.3 Å²	46.3	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-74.9	-32.3	-177.2	-55.6	0	0	0	0	112.6	K635 S637 Q642 N643	K635-S639 WeakPolarHBondContact O-CB 3.5Å; K635-S639 PolarHBondContact O-N 3.4Å; K635-S639 PolarHBondContact O-OG 3.5Å; S637-S639 VanDerWaalsContact C-N 3.33Å; S637-S639 PolarHBondContact O-N 3.22Å; S639-Q642 PolarHBondContact O-N 2.87Å; S639-N643 PolarHBondContact O-N 2.47Å
640	L	94.6	Very high	90.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-46	172.4	-177.6	63.8	0	0	0	111.1	W618 L626 D636 S637 Q642 N643 Y644	W618-L640 HydrophobicContact CG-CD1 4.24Å; L626-L640 HydrophobicContact CD2-CD2 4.08Å; L626-L640 HydrophobicContact CG-CD2 4.11Å; D636-L640 WeakPolarHBondContact O-CB 3.37Å; D636-L640 PolarHBondContact O-N 3.31Å; D636-L640 VanDerWaalsContact O-N 3.08Å; S637-L640 PolarHBondContact O-N 3.49Å; L640-Q642 VanDerWaalsContact C-N 3.31Å; L640-Q642 PolarHBondContact O-N 3.06Å; L640-N643 PolarHBondContact O-N 3.05Å; L640-Y644 PolarHBondContact O-N 3.25Å
641	I	94	Very high	90.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-38.9	176.1	-64.7	168.4	0	0	0	110.8	L626 S637 Y644 L645 A654 L657 F658	L626-I641 HydrophobicContact CD1-CG1 4.48Å; L626-I641 HydrophobicContact CD2-CD1 4.33Å; L626-I641 HydrophobicContact CD2-CG1 4.17Å; S637-I641 WeakPolarHBondContact O-CG1 3.44Å; S637-I641 PolarHBondContact O-N 3.14Å; S637-I641 VanDerWaalsContact O-N 3.15Å; I641-Y644 WeakPolarHBondContact O-CB 3.24Å; I641-Y644 PolarHBondContact O-N 3.24Å; I641-L645 WeakPolarHBondContact O-CB 3.36Å; I641-L645 PolarHBondContact O-N 2.79Å; I641-A654 HydrophobicContact CG2-CB 3.68Å; I641-L657 HydrophobicContact CD1-CB 4.37Å; I641-L657 HydrophobicContact CD1-CD1 4.32Å; I641-L657 HydrophobicContact CG1-CD1 4.35Å; I641-F658 HydrophobicContact CB-CE2 4.37Å; I641-F658 HydrophobicContact CB-CZ 3.91Å; I641-F658 HydrophobicContact CD1-CD1 4.39Å; I641-F658 HydrophobicContact CD1-CE1 3.71Å; I641-F658 HydrophobicContact CD1-CZ 3.79Å; I641-F658 HydrophobicContact CG1-CZ 4.46Å; I641-F658 HydrophobicContact CG2-CE2 3.68Å; I641-F658 HydrophobicContact CG2-CZ 3.74Å
642	Q	93.4	Very high	91.1	Very high	38 Å²	38	46.4 Å²	46.4	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-44.7	175	179	57.8	37.3	0	0	112.1	V638 S639 L640 Y644 L645 D646 L673	V638-Q642 WeakPolarHBondContact O-CB 3.09Å; V638-Q642 PolarHBondContact O-N 3Å; S639-Q642 PolarHBondContact O-N 2.87Å; L640-Q642 VanDerWaalsContact C-N 3.31Å; L640-Q642 PolarHBondContact O-N 3.06Å; Q642-Y644 VanDerWaalsContact C-N 3.33Å; Q642-Y644 PolarHBondContact O-N 2.83Å; Q642-L645 CarbonylContact O-C 3.48Å; Q642-L645 WeakPolarHBondContact O-CA 3.17Å; Q642-L645 WeakPolarHBondContact O-CB 3.23Å; Q642-L645 PolarHBondContact O-N 2.94Å; Q642-L645 VanDerWaalsContact O-N 3.12Å; Q642-D646 PolarHBondContact NE2-OD1 2.85Å; Q642-D646 PolarHBondContact NE2-OD2 2.88Å; Q642-D646 VanDerWaalsContact NE2-OD2 3.13Å; Q642-D646 VanDerWaalsContact O-CG 3.3Å; Q642-D646 PolarHBondContact O-N 3.44Å; Q642-L673 HydrophobicContact CB-CD2 4.03Å; Q642-L673 HydrophobicContact CG-CD2 4.02Å
643	N	95.3	Very high	91.8	Very high	36 Å²	36	45.7 Å²	45.7	19%	0.193	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-32.9	179.1	-175.8	35.6	0	0	0	112.5	W618 G621 S639 L640 D646 R647	W618-N643 PolarHBondContact O-ND2 3.48Å; G621-N643 WeakPolarHBondContact CA-ND2 3.35Å; G621-N643 PolarHBondContact N-ND2 2.85Å; S639-N643 PolarHBondContact O-N 2.47Å; L640-N643 PolarHBondContact O-N 3.05Å; N643-D646 PolarHBondContact O-N 2.85Å; N643-R647 WeakPolarHBondContact O-CG 3.32Å; N643-R647 PolarHBondContact O-N 3.38Å; N643-R647 PolarHBondContact OD1-NE 3.06Å
644	Y	96.6	Very high	92.7	Very high	4 Å²	4	43 Å²	43	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-50.2	166.5	166.9	-95.1	0	0	0	110.5	L623 L640 I641 Q642 D646 R647 T648 D650 T653	L623-Y644 HydrophobicContact CD1-CD1 4.15Å; L623-Y644 HydrophobicContact CD1-CD2 3.62Å; L623-Y644 HydrophobicContact CD1-CE1 4.12Å; L623-Y644 HydrophobicContact CD1-CE2 3.56Å; L623-Y644 HydrophobicContact CD1-CG 3.91Å; L623-Y644 HydrophobicContact CD2-CD1 4.24Å; L623-Y644 HydrophobicContact CD2-CD2 4.04Å; L623-Y644 HydrophobicContact CD2-CG 3.73Å; L623-Y644 HydrophobicContact CG-CD1 4.45Å; L623-Y644 HydrophobicContact CG-CD2 3.56Å; L623-Y644 HydrophobicContact CG-CE2 4.02Å; L623-Y644 HydrophobicContact CG-CG 3.8Å; L640-Y644 PolarHBondContact O-N 3.25Å; I641-Y644 WeakPolarHBondContact O-CB 3.24Å; I641-Y644 PolarHBondContact O-N 3.24Å; Q642-Y644 VanDerWaalsContact C-N 3.33Å; Q642-Y644 PolarHBondContact O-N 2.83Å; Y644-D646 VanDerWaalsContact C-N 3.35Å; Y644-D646 PolarHBondContact O-N 3.33Å; Y644-R647 PolarHBondContact O-N 2.99Å; Y644-R647 VanDerWaalsContact O-N 3.15Å; Y644-T648 HydrophobicContact CD2-CG2 3.79Å; Y644-T648 WeakPolarHBondContact CE1-OG1 3.36Å; Y644-T648 HydrophobicContact CE2-CG2 3.51Å; Y644-T648 HydrophobicContact CG-CG2 4.46Å; Y644-T648 PolarHBondContact O-N 2.78Å; Y644-T648 PolarHBondContact O-OG1 2.99Å; Y644-D650 HydrophobicContact CE1-CB 3.87Å; Y644-D650 PolarHBondContact OH-OD2 2.76Å; Y644-T653 HydrophobicContact CE1-CG2 4.46Å
645	L	95.8	Very high	93.3	Very high	22 Å²	22	37.1 Å²	37.1	12%	0.115	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-42.8	178.7	176.2	59.5	0	0	0	112.4	I641 Q642 R647 S649 V651 A654 I677	I641-L645 WeakPolarHBondContact O-CB 3.36Å; I641-L645 PolarHBondContact O-N 2.79Å; Q642-L645 CarbonylContact O-C 3.48Å; Q642-L645 WeakPolarHBondContact O-CA 3.17Å; Q642-L645 WeakPolarHBondContact O-CB 3.23Å; Q642-L645 PolarHBondContact O-N 2.94Å; Q642-L645 VanDerWaalsContact O-N 3.12Å; L645-R647 PolarHBondContact O-N 3.3Å; L645-S649 VanDerWaalsContact O-CA 3.25Å; L645-S649 WeakPolarHBondContact O-CA 3.35Å; L645-S649 PolarHBondContact O-N 2.8Å; L645-V651 VanDerWaalsContact CD1-CA 3.49Å; L645-V651 HydrophobicContact CD1-CB 3.89Å; L645-V651 HydrophobicContact CD1-CG2 4.42Å; L645-A654 HydrophobicContact CB-CB 4.47Å; L645-A654 HydrophobicContact CD2-CB 4.49Å; L645-I677 HydrophobicContact CD2-CD1 4.02Å; L645-I677 HydrophobicContact CD2-CG1 3.88Å; L645-I677 HydrophobicContact CD2-CG2 4.4Å
646	D	96	Very high	93.6	Very high	106 Å²	106	29.2 Å²	29.2	57%	0.567	16%	0.155	S	C	*	.	H	α-helix	trans	-64.5	-25.5	179.7	-70.2	-30.2	0	0	0	112.7	Q642 N643 Y644	Q642-D646 PolarHBondContact NE2-OD1 2.85Å; Q642-D646 PolarHBondContact NE2-OD2 2.88Å; Q642-D646 VanDerWaalsContact NE2-OD2 3.13Å; Q642-D646 VanDerWaalsContact O-CG 3.3Å; Q642-D646 PolarHBondContact O-N 3.44Å; N643-D646 PolarHBondContact O-N 2.85Å; Y644-D646 VanDerWaalsContact C-N 3.35Å; Y644-D646 PolarHBondContact O-N 3.33Å
647	R	95.2	Very high	93.7	Very high	152 Å²	152	26.2 Å²	26.2	57%	0.574	14%	0.139	S	C	*	.	H	α-helix	trans	-92.2	-38.4	178.8	-70.8	178	179.6	-115.8	-0.6	113.6	A619 S620 N643 Y644 L645	A619-R647 PolarHBondContact O-NH2 2.8Å; S620-R647 WeakPolarHBondContact O-CD 3.28Å; S620-R647 PolarHBondContact O-NH1 3.14Å; N643-R647 WeakPolarHBondContact O-CG 3.32Å; N643-R647 PolarHBondContact O-N 3.38Å; N643-R647 PolarHBondContact OD1-NE 3.06Å; Y644-R647 PolarHBondContact O-N 2.99Å; Y644-R647 VanDerWaalsContact O-N 3.15Å; L645-R647 PolarHBondContact O-N 3.3Å
648	T	94.5	Very high	93.7	Very high	54 Å²	54	27 Å²	27	33%	0.331	14%	0.142	S	C	.	.	H	α-helix	trans	-101.6	-20.1	-172.5	65.4	0	0	0	0	113.5	Y644 D650	Y644-T648 HydrophobicContact CD2-CG2 3.79Å; Y644-T648 WeakPolarHBondContact CE1-OG1 3.36Å; Y644-T648 HydrophobicContact CE2-CG2 3.51Å; Y644-T648 HydrophobicContact CG-CG2 4.46Å; Y644-T648 PolarHBondContact O-N 2.78Å; Y644-T648 PolarHBondContact O-OG1 2.99Å; T648-D650 PolarHBondContact O-N 2.96Å; T648-D650 VanDerWaalsContact O-N 3.17Å; T648-D650 WeakPolarHBondContact OG1-CB 3.17Å; T648-D650 PolarHBondContact OG1-N 2.81Å
649	S	95.6	Very high	93.4	Very high	71 Å²	71	26.5 Å²	26.5	50%	0.497	14%	0.139	S	C	.	.			trans	58.1	15.1	-169	-60.4	0	0	0	0	114.4	L645 V651	L645-S649 VanDerWaalsContact O-CA 3.25Å; L645-S649 WeakPolarHBondContact O-CA 3.35Å; L645-S649 PolarHBondContact O-N 2.8Å; S649-V651 VanDerWaalsContact C-N 3.3Å; S649-V651 PolarHBondContact O-N 3.09Å
650	D	96	Very high	92.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.129	C	C	.	.			trans	-80.3	74.5	177.7	-174.9	0.7	0	0	0	111.4	I361 R368 Y644 T648 Q652 T653 A654	I361-D650 HydrophobicContact CD1-CB 4.03Å; I361-D650 HydrophobicContact CG1-CB 4.18Å; R368-D650 IonicContact NH1-OD2 3.24Å; R368-D650 PolarHBondContact NH1-OD2 3.12Å; R368-D650 VanDerWaalsContact NH1-OD2 3.15Å; Y644-D650 HydrophobicContact CE1-CB 3.87Å; Y644-D650 PolarHBondContact OH-OD2 2.76Å; T648-D650 PolarHBondContact O-N 2.96Å; T648-D650 VanDerWaalsContact O-N 3.17Å; T648-D650 WeakPolarHBondContact OG1-CB 3.17Å; T648-D650 PolarHBondContact OG1-N 2.81Å; D650-Q652 PolarHBondContact O-N 3.43Å; D650-Q652 PolarHBondContact OD1-N 3.48Å; D650-T653 VanDerWaalsContact CG-OG1 3.25Å; D650-T653 PolarHBondContact OD1-N 2.75Å; D650-T653 PolarHBondContact OD1-OG1 2.78Å; D650-T653 VanDerWaalsContact OD2-CB 3.23Å; D650-T653 WeakPolarHBondContact OD2-CB 3.35Å; D650-T653 PolarHBondContact OD2-OG1 2.83Å; D650-A654 PolarHBondContact O-N 2.94Å
651	V	95.7	Very high	92.2	Very high	14 Å²	14	25.8 Å²	25.8	9%	0.085	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-27.3	177.6	73	0	0	0	0	112.3	M365 L645 S649 A655 I677 L684	M365-V651 HydrophobicContact CE-CG1 4.27Å; M365-V651 HydrophobicContact SD-CG1 3.83Å; L645-V651 VanDerWaalsContact CD1-CA 3.49Å; L645-V651 HydrophobicContact CD1-CB 3.89Å; L645-V651 HydrophobicContact CD1-CG2 4.42Å; S649-V651 VanDerWaalsContact C-N 3.3Å; S649-V651 PolarHBondContact O-N 3.09Å; V651-A655 WeakPolarHBondContact O-CB 3.33Å; V651-A655 PolarHBondContact O-N 2.93Å; V651-I677 HydrophobicContact CG2-CG2 4.07Å; V651-L684 HydrophobicContact CG1-CD2 4.14Å
652	Q	95.2	Very high	91.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.2	-54.7	178.9	171.8	-179	60.9	0	0	110.5	M365 R368 Y373 D650 A654 A655 V656 Y681	M365-Q652 VanDerWaalsContact CA-OE1 3.29Å; M365-Q652 HydrophobicContact CB-CB 4.16Å; M365-Q652 HydrophobicContact CG-CB 3.69Å; M365-Q652 PolarHBondContact O-NE2 3.07Å; M365-Q652 PolarHBondContact O-OE1 2.94Å; M365-Q652 HydrophobicContact SD-CB 3.62Å; R368-Q652 VanDerWaalsContact CB-OE1 3.25Å; Y373-Q652 HydrophobicContact CD1-CG 3.63Å; Y373-Q652 HydrophobicContact CE1-CG 3.75Å; D650-Q652 PolarHBondContact O-N 3.43Å; D650-Q652 PolarHBondContact OD1-N 3.48Å; Q652-A654 PolarHBondContact O-N 2.96Å; Q652-A655 PolarHBondContact O-N 2.89Å; Q652-V656 VanDerWaalsContact O-CG2 3.22Å; Q652-V656 WeakPolarHBondContact O-CG2 3.31Å; Q652-V656 PolarHBondContact O-N 2.82Å; Q652-Y681 HydrophobicContact CB-CD2 3.97Å; Q652-Y681 HydrophobicContact CB-CE2 3.68Å; Q652-Y681 HydrophobicContact CG-CD2 4.4Å; Q652-Y681 HydrophobicContact CG-CE1 4.14Å; Q652-Y681 HydrophobicContact CG-CE2 3.69Å; Q652-Y681 PolarHBondContact NE2-OH 3.27Å
653	T	94.7	Very high	89.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-46.7	179.7	-62	0	0	0	0	110.8	Y373 L394 L397 W398 Y644 D650 A655 V656 L657	Y373-T653 PolarHBondContact OH-OG1 2.78Å; L394-T653 HydrophobicContact CD2-CG2 3.77Å; L397-T653 HydrophobicContact CD2-CG2 4.27Å; W398-T653 HydrophobicContact CZ2-CG2 4.47Å; Y644-T653 HydrophobicContact CE1-CG2 4.46Å; D650-T653 VanDerWaalsContact CG-OG1 3.25Å; D650-T653 PolarHBondContact OD1-N 2.75Å; D650-T653 PolarHBondContact OD1-OG1 2.78Å; D650-T653 VanDerWaalsContact OD2-CB 3.23Å; D650-T653 WeakPolarHBondContact OD2-CB 3.35Å; D650-T653 PolarHBondContact OD2-OG1 2.83Å; T653-A655 VanDerWaalsContact C-N 3.34Å; T653-A655 PolarHBondContact O-N 2.93Å; T653-V656 PolarHBondContact O-N 3.41Å; T653-L657 HydrophobicContact CG2-CD1 4.07Å; T653-L657 HydrophobicContact CG2-CG 4.3Å; T653-L657 VanDerWaalsContact O-CG 3.27Å; T653-L657 WeakPolarHBondContact O-CG 3.44Å; T653-L657 PolarHBondContact O-N 2.68Å
654	A	93.7	Very high	87.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-45.8	177.8	0	0	0	0	0	112.4	I641 L645 D650 Q652 L657 F658 I677	I641-A654 HydrophobicContact CG2-CB 3.68Å; L645-A654 HydrophobicContact CB-CB 4.47Å; L645-A654 HydrophobicContact CD2-CB 4.49Å; D650-A654 PolarHBondContact O-N 2.94Å; Q652-A654 PolarHBondContact O-N 2.96Å; A654-L657 PolarHBondContact O-N 3.24Å; A654-F658 WeakPolarHBondContact O-CD2 3.46Å; A654-F658 PolarHBondContact O-N 3.25Å; A654-I677 HydrophobicContact CB-CG2 3.9Å
655	A	91.5	Very high	85.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-46.3	177.4	0	0	0	0	0	112	V651 Q652 T653 L657 F658 I659 I677 V678 Y681	V651-A655 WeakPolarHBondContact O-CB 3.33Å; V651-A655 PolarHBondContact O-N 2.93Å; Q652-A655 PolarHBondContact O-N 2.89Å; T653-A655 VanDerWaalsContact C-N 3.34Å; T653-A655 PolarHBondContact O-N 2.93Å; A655-L657 PolarHBondContact O-N 2.94Å; A655-F658 PolarHBondContact O-N 2.89Å; A655-I659 VanDerWaalsContact O-CG1 3.23Å; A655-I659 WeakPolarHBondContact O-CG1 3.38Å; A655-I659 PolarHBondContact O-N 2.79Å; A655-I677 HydrophobicContact CB-CG2 4.19Å; A655-V678 HydrophobicContact CB-CG2 4.16Å; A655-Y681 HydrophobicContact CB-CD1 3.81Å; A655-Y681 HydrophobicContact CB-CG 4.1Å
656	V	90.6	Very high	83.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-40.9	-179.1	175.4	0	0	0	0	111.2	W398 Q652 T653 F658 I659 L660 Y681	W398-V656 HydrophobicContact CH2-CB 4.43Å; W398-V656 HydrophobicContact CH2-CG1 3.63Å; W398-V656 HydrophobicContact CZ2-CG1 4.37Å; Q652-V656 VanDerWaalsContact O-CG2 3.22Å; Q652-V656 WeakPolarHBondContact O-CG2 3.31Å; Q652-V656 PolarHBondContact O-N 2.82Å; T653-V656 PolarHBondContact O-N 3.41Å; V656-F658 VanDerWaalsContact C-N 3.31Å; V656-F658 PolarHBondContact O-N 3.15Å; V656-I659 PolarHBondContact O-N 3.03Å; V656-I659 VanDerWaalsContact O-N 3.15Å; V656-L660 HydrophobicContact CG1-CD1 3.73Å; V656-L660 HydrophobicContact CG1-CG 3.99Å; V656-L660 WeakPolarHBondContact O-CB 2.92Å; V656-L660 WeakPolarHBondContact O-CG 3.44Å; V656-L660 PolarHBondContact O-N 3.26Å; V656-Y681 HydrophobicContact CG2-CE1 4.33Å
657	L	90.4	Very high	81.3	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-44.4	176.3	-68.5	171.7	0	0	0	111.8	L397 W398 L401 L626 I631 I641 T653 A654 A655 N661	L397-L657 HydrophobicContact CD1-CD2 4.47Å; L397-L657 HydrophobicContact CD2-CD1 4.22Å; L397-L657 HydrophobicContact CD2-CD2 3.91Å; L397-L657 HydrophobicContact CG-CD2 4.39Å; W398-L657 HydrophobicContact CH2-CD2 4.33Å; L401-L657 HydrophobicContact CD1-CD2 3.62Å; L626-L657 HydrophobicContact CD1-CD1 4.35Å; I631-L657 HydrophobicContact CD1-CB 4.14Å; I631-L657 HydrophobicContact CD1-CD2 3.64Å; I631-L657 HydrophobicContact CD1-CG 4.42Å; I641-L657 HydrophobicContact CD1-CB 4.37Å; I641-L657 HydrophobicContact CD1-CD1 4.32Å; I641-L657 HydrophobicContact CG1-CD1 4.35Å; T653-L657 HydrophobicContact CG2-CD1 4.07Å; T653-L657 HydrophobicContact CG2-CG 4.3Å; T653-L657 VanDerWaalsContact O-CG 3.27Å; T653-L657 WeakPolarHBondContact O-CG 3.44Å; T653-L657 PolarHBondContact O-N 2.68Å; A654-L657 PolarHBondContact O-N 3.24Å; A655-L657 PolarHBondContact O-N 2.94Å; L657-N661 PolarHBondContact O-N 3.08Å
658	F	87.1	Confident	79.7	Confident	16 Å²	16	22.4 Å²	22.4	7%	0.07	13%	0.131	C	C	.	.	H	α-helix	trans	-69.5	-33.8	176.9	-69	-53.9	0	0	0	113.5	V638 I641 A654 A655 V656 V674 I677 V678	V638-F658 HydrophobicContact CG1-CZ 4.29Å; V638-F658 HydrophobicContact CG2-CE1 3.99Å; V638-F658 HydrophobicContact CG2-CZ 4.45Å; I641-F658 HydrophobicContact CB-CE2 4.37Å; I641-F658 HydrophobicContact CB-CZ 3.91Å; I641-F658 HydrophobicContact CD1-CD1 4.39Å; I641-F658 HydrophobicContact CD1-CE1 3.71Å; I641-F658 HydrophobicContact CD1-CZ 3.79Å; I641-F658 HydrophobicContact CG1-CZ 4.46Å; I641-F658 HydrophobicContact CG2-CE2 3.68Å; I641-F658 HydrophobicContact CG2-CZ 3.74Å; A654-F658 WeakPolarHBondContact O-CD2 3.46Å; A654-F658 PolarHBondContact O-N 3.25Å; A655-F658 PolarHBondContact O-N 2.89Å; V656-F658 VanDerWaalsContact C-N 3.31Å; V656-F658 PolarHBondContact O-N 3.15Å; F658-V674 HydrophobicContact CB-CG1 3.61Å; F658-V674 HydrophobicContact CD1-CG1 3.98Å; F658-V674 HydrophobicContact CD1-CG2 4Å; F658-V674 HydrophobicContact CD2-CG1 3.91Å; F658-V674 HydrophobicContact CD2-CG2 4.4Å; F658-V674 HydrophobicContact CE1-CG2 3.9Å; F658-V674 HydrophobicContact CE2-CG2 4.31Å; F658-V674 HydrophobicContact CG-CB 4.46Å; F658-V674 HydrophobicContact CG-CG1 3.57Å; F658-V674 HydrophobicContact CG-CG2 4.26Å; F658-V674 HydrophobicContact CZ-CG2 4.06Å; F658-I677 HydrophobicContact CD2-CG2 4.4Å; F658-I677 HydrophobicContact CE2-CD1 3.78Å; F658-V678 HydrophobicContact CB-CG2 4.44Å
659	I	83.7	Confident	78.2	Confident	10 Å²	10	27.3 Å²	27.3	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-46	177.2	-67.4	166.8	0	0	0	110.6	A655 V656 N661 G662 V678 L697 I701	A655-I659 VanDerWaalsContact O-CG1 3.23Å; A655-I659 WeakPolarHBondContact O-CG1 3.38Å; A655-I659 PolarHBondContact O-N 2.79Å; V656-I659 PolarHBondContact O-N 3.03Å; V656-I659 VanDerWaalsContact O-N 3.15Å; I659-N661 PolarHBondContact O-N 3.42Å; I659-G662 PolarHBondContact O-N 3.12Å; I659-V678 HydrophobicContact CD1-CG1 4.09Å; I659-V678 HydrophobicContact CD1-CG2 4.44Å; I659-V678 HydrophobicContact CG1-CG1 4.32Å; I659-V678 HydrophobicContact CG1-CG2 4.14Å; I659-L697 HydrophobicContact CD1-CD1 3.73Å; I659-L697 HydrophobicContact CD1-CD2 4.19Å; I659-L697 HydrophobicContact CD1-CG 4.04Å; I659-I701 HydrophobicContact CB-CG1 4.47Å; I659-I701 HydrophobicContact CD1-CD1 3.94Å; I659-I701 HydrophobicContact CD1-CG1 3.91Å; I659-I701 HydrophobicContact CG1-CD1 4.34Å; I659-I701 HydrophobicContact CG1-CG1 3.89Å; I659-I701 HydrophobicContact CG2-CG1 3.76Å
660	L	82	Confident	76.8	Confident	7 Å²	7	31 Å²	31	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-36.9	-175.9	-73.3	176.1	0	0	0	113.1	M379 L381 W398 R419 F420 V656 G662	M379-L660 HydrophobicContact CE-CD2 3.74Å; M379-L660 HydrophobicContact SD-CD2 4.15Å; L381-L660 HydrophobicContact CD2-CD1 3.91Å; L381-L660 HydrophobicContact CD2-CD2 4.44Å; W398-L660 HydrophobicContact CH2-CD1 3.8Å; W398-L660 HydrophobicContact CZ3-CD1 3.43Å; W398-L660 VanDerWaalsContact CZ3-CD1 3.43Å; R419-L660 PolarHBondContact NH1-O 2.64Å; F420-L660 HydrophobicContact CE2-CB 3.81Å; F420-L660 HydrophobicContact CZ-CB 4.06Å; V656-L660 HydrophobicContact CG1-CD1 3.73Å; V656-L660 HydrophobicContact CG1-CG 3.99Å; V656-L660 WeakPolarHBondContact O-CB 2.92Å; V656-L660 WeakPolarHBondContact O-CG 3.44Å; V656-L660 PolarHBondContact O-N 3.26Å; L660-G662 PolarHBondContact O-N 2.75Å; L660-G662 VanDerWaalsContact O-N 3.11Å
661	N	79.6	Confident	75.5	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.053	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.3	-179.8	-171.4	55.2	0	0	0	113.3	T418 R419 F420 I631 L657 I659	T418-N661 WeakPolarHBondContact CA-OD1 3.22Å; T418-N661 PolarHBondContact OG1-OD1 2.77Å; R419-N661 PolarHBondContact N-OD1 2.83Å; F420-N661 HydrophobicContact CD2-CB 4.12Å; F420-N661 HydrophobicContact CE2-CB 4.38Å; I631-N661 HydrophobicContact CB-CB 4.18Å; I631-N661 HydrophobicContact CG2-CB 3.57Å; I631-N661 PolarHBondContact O-ND2 2.97Å; I631-N661 VanDerWaalsContact O-ND2 3.13Å; I631-N661 PolarHBondContact O-OD1 2.92Å; L657-N661 PolarHBondContact O-N 3.08Å; I659-N661 PolarHBondContact O-N 3.42Å
662	G	70.5	Confident	74.9	Confident	5 Å²	5	36.3 Å²	36.3	5%	0.052	20%	0.197	C	C	.	.			trans	85.4	140.2	179.3	0	0	0	0	0	113.2	I659 L660 F664	I659-G662 PolarHBondContact O-N 3.12Å; L660-G662 PolarHBondContact O-N 2.75Å; L660-G662 VanDerWaalsContact O-N 3.11Å; G662-F664 PolarHBondContact O-N 3.21Å
663	S	53.4	Low	74.4	Confident	43 Å²	43	38.5 Å²	38.5	30%	0.301	21%	0.209	S	C	.	.	S	Bend	trans	61	39.5	145.5	-45.4	0	0	0	0	120.6	H704 P706	S663-H704 WeakPolarHBondContact CA-O 3.39Å; S663-H704 PolarHBondContact N-O 2.78Å; S663-H704 PolarHBondContact OG-O 2.98Å; S663-P706 VanDerWaalsContact CB-CD 3.41Å; S663-P706 WeakPolarHBondContact OG-CD 3.36Å; S663-P706 WeakPolarHBondContact OG-CG 3.4Å
664	F	56	Low	74	Confident	80 Å²	80	39 Å²	39	35%	0.351	21%	0.212	S	C	.	.			trans	-133.6	-36.5	159.7	-63.6	-76.3	0	0	0	113.9	A633 G662 F666 S667 L668	A633-F664 HydrophobicContact CB-CD1 4.33Å; A633-F664 HydrophobicContact CB-CD2 3.82Å; A633-F664 HydrophobicContact CB-CE1 4.3Å; A633-F664 HydrophobicContact CB-CE2 3.77Å; A633-F664 HydrophobicContact CB-CG 4.1Å; A633-F664 HydrophobicContact CB-CZ 4.03Å; G662-F664 PolarHBondContact O-N 3.21Å; F664-F666 VanDerWaalsContact C-N 3.26Å; F664-F666 PolarHBondContact O-N 3.45Å; F664-S667 PolarHBondContact O-N 2.92Å; F664-S667 VanDerWaalsContact O-N 3.16Å; F664-L668 HydrophobicContact CB-CD1 3.59Å; F664-L668 HydrophobicContact CB-CG 4.03Å; F664-L668 VanDerWaalsContact O-CB 3.26Å; F664-L668 WeakPolarHBondContact O-CB 3.36Å; F664-L668 WeakPolarHBondContact O-CD1 3.23Å; F664-L668 WeakPolarHBondContact O-CG 3.19Å; F664-L668 PolarHBondContact O-N 3.38Å
665	A	52.6	Low	73.6	Confident	9 Å²	9	41.1 Å²	41.1	7%	0.074	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-42	-164.4	0	0	0	0	0	114.7	V674 Y675 V678	A665-V674 HydrophobicContact CB-CG1 3.89Å; A665-Y675 WeakPolarHBondContact O-CB 3.45Å; A665-Y675 VanDerWaalsContact O-CD2 3.31Å; A665-Y675 WeakPolarHBondContact O-CD2 3.45Å; A665-V678 HydrophobicContact CB-CB 4.39Å; A665-V678 HydrophobicContact CB-CG2 3.9Å
666	F	51.4	Low	73.4	Confident	41 Å²	41	47.7 Å²	47.7	18%	0.18	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-15.9	-178.7	-69.7	-88.9	0	0	0	115.8	F664 Y675 V678 L682 I701 L710	F664-F666 VanDerWaalsContact C-N 3.26Å; F664-F666 PolarHBondContact O-N 3.45Å; F666-Y675 HydrophobicContact CD1-CD2 4.04Å; F666-Y675 AromaticContact CD1-CE2 3.62Å; F666-Y675 HydrophobicContact CD1-CE2 3.62Å; F666-Y675 HydrophobicContact CE1-CD2 4.3Å; F666-Y675 AromaticContact CE1-CE2 3.76Å; F666-Y675 HydrophobicContact CE1-CE2 3.76Å; F666-V678 HydrophobicContact CE2-CG1 3.69Å; F666-V678 HydrophobicContact CZ-CG1 3.87Å; F666-L682 HydrophobicContact CZ-CD1 3.73Å; F666-I701 HydrophobicContact CD2-CG2 3.34Å; F666-I701 HydrophobicContact CE2-CB 4.43Å; F666-I701 HydrophobicContact CE2-CD1 3.63Å; F666-I701 HydrophobicContact CE2-CG1 4.21Å; F666-I701 HydrophobicContact CE2-CG2 3.51Å; F666-I701 HydrophobicContact CG-CG2 4.38Å; F666-I701 HydrophobicContact CZ-CD1 4.23Å; F666-L710 HydrophobicContact CB-CD1 3.69Å; F666-L710 HydrophobicContact CB-CD2 3.91Å; F666-L710 HydrophobicContact CB-CG 3.91Å; F666-L710 HydrophobicContact CD1-CD1 4.4Å; F666-L710 HydrophobicContact CD1-CD2 3.92Å; F666-L710 HydrophobicContact CD2-CD1 3.79Å; F666-L710 HydrophobicContact CG-CD1 3.7Å; F666-L710 HydrophobicContact CG-CD2 3.95Å; F666-L710 HydrophobicContact CG-CG 4.23Å
667	S	57.7	Low	73.5	Confident	53 Å²	53	48.1 Å²	48.1	37%	0.371	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-18.4	167.1	-46.5	0	0	0	0	111.4	F664	F664-S667 PolarHBondContact O-N 2.92Å; F664-S667 VanDerWaalsContact O-N 3.16Å
668	L	61.8	Low	73.4	Confident	57 Å²	57	48.1 Å²	48.1	30%	0.298	25%	0.247	S	C	.	.	S	Bend	trans	-74.5	144.3	173.9	-74.2	164.6	0	0	0	111.3	F664 S672 V674	F664-L668 HydrophobicContact CB-CD1 3.59Å; F664-L668 HydrophobicContact CB-CG 4.03Å; F664-L668 VanDerWaalsContact O-CB 3.26Å; F664-L668 WeakPolarHBondContact O-CB 3.36Å; F664-L668 WeakPolarHBondContact O-CD1 3.23Å; F664-L668 WeakPolarHBondContact O-CG 3.19Å; F664-L668 PolarHBondContact O-N 3.38Å; L668-S672 WeakPolarHBondContact CD1-OG 3.37Å; L668-V674 HydrophobicContact CD1-CB 3.85Å; L668-V674 HydrophobicContact CD1-CG1 4.33Å; L668-V674 HydrophobicContact CD1-CG2 4.29Å
669	H	63.1	Low	73.5	Confident	156 Å²	156	50.3 Å²	50.3	72%	0.722	26%	0.259	S	S	*	.			trans	-53.4	150.1	170.4	-76.4	-68.6	0	0	0	111.5	S671 S672	H669-S671 PolarHBondContact O-N 3Å; H669-S672 WeakPolarHBondContact O-CB 3.34Å; H669-S672 PolarHBondContact O-N 3.14Å
670	Q	66.4	Low	74	Confident	150 Å²	150	52.8 Å²	52.8	70%	0.701	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.4	176.9	-66.8	-179.8	-7	0	0	113.7	S672 Y675	Q670-S672 VanDerWaalsContact C-N 3.27Å; Q670-S672 PolarHBondContact O-N 2.79Å; Q670-Y675 HydrophobicContact CB-CD1 4.16Å; Q670-Y675 HydrophobicContact CB-CE1 3.99Å; Q670-Y675 HydrophobicContact CG-CD1 4.38Å; Q670-Y675 HydrophobicContact CG-CE1 3.82Å
671	S	69.4	Low	74.6	Confident	97 Å²	97	52.7 Å²	52.7	68%	0.678	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.1	173.9	55	0	0	0	0	113.6	H669	H669-S671 PolarHBondContact O-N 3Å
672	S	82	Confident	75.1	Confident	28 Å²	28	52.4 Å²	52.4	20%	0.196	28%	0.275	C	S	.	.	S	Bend	trans	-62.6	138	-179.4	-177.6	0	0	0	0	111.5	L668 H669 Q670 V674 Y675 R676	L668-S672 WeakPolarHBondContact CD1-OG 3.37Å; H669-S672 WeakPolarHBondContact O-CB 3.34Å; H669-S672 PolarHBondContact O-N 3.14Å; Q670-S672 VanDerWaalsContact C-N 3.27Å; Q670-S672 PolarHBondContact O-N 2.79Å; S672-V674 VanDerWaalsContact C-N 3.29Å; S672-V674 PolarHBondContact O-N 2.94Å; S672-Y675 PolarHBondContact O-N 2.76Å; S672-R676 PolarHBondContact O-N 3.43Å; S672-R676 VanDerWaalsContact O-N 3.12Å
673	L	86.2	Confident	76.2	Confident	47 Å²	47	54.5 Å²	54.5	25%	0.246	29%	0.287	C	S	.	.	H	α-helix	trans	-57.6	-44.2	177.4	-176.9	62.3	0	0	0	111.6	V638 Q642 Y675 R676 I677	V638-L673 HydrophobicContact CG1-CD2 3.94Å; Q642-L673 HydrophobicContact CB-CD2 4.03Å; Q642-L673 HydrophobicContact CG-CD2 4.02Å; L673-Y675 PolarHBondContact O-N 2.87Å; L673-R676 VanDerWaalsContact CD1-NH2 3.35Å; L673-R676 PolarHBondContact O-N 2.7Å; L673-I677 HydrophobicContact CD1-CD1 4.27Å; L673-I677 HydrophobicContact CD1-CG1 4.5Å; L673-I677 HydrophobicContact CG-CD1 3.95Å; L673-I677 WeakPolarHBondContact O-CG1 3.31Å; L673-I677 PolarHBondContact O-N 2.91Å
674	V	85.3	Confident	78.1	Confident	11 Å²	11	54.1 Å²	54.1	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-44.8	-179.4	179.7	0	0	0	0	111.2	V638 F658 A665 L668 S672 R676 I677 V678	V638-V674 HydrophobicContact CG1-CG2 4.37Å; V638-V674 HydrophobicContact CG2-CG2 4.38Å; F658-V674 HydrophobicContact CB-CG1 3.61Å; F658-V674 HydrophobicContact CD1-CG1 3.98Å; F658-V674 HydrophobicContact CD1-CG2 4Å; F658-V674 HydrophobicContact CD2-CG1 3.91Å; F658-V674 HydrophobicContact CD2-CG2 4.4Å; F658-V674 HydrophobicContact CE1-CG2 3.9Å; F658-V674 HydrophobicContact CE2-CG2 4.31Å; F658-V674 HydrophobicContact CG-CB 4.46Å; F658-V674 HydrophobicContact CG-CG1 3.57Å; F658-V674 HydrophobicContact CG-CG2 4.26Å; F658-V674 HydrophobicContact CZ-CG2 4.06Å; A665-V674 HydrophobicContact CB-CG1 3.89Å; L668-V674 HydrophobicContact CD1-CB 3.85Å; L668-V674 HydrophobicContact CD1-CG1 4.33Å; L668-V674 HydrophobicContact CD1-CG2 4.29Å; S672-V674 VanDerWaalsContact C-N 3.29Å; S672-V674 PolarHBondContact O-N 2.94Å; V674-R676 VanDerWaalsContact C-N 3.33Å; V674-R676 PolarHBondContact O-N 3.07Å; V674-I677 PolarHBondContact O-N 3.21Å; V674-V678 WeakPolarHBondContact O-CG2 3.41Å; V674-V678 PolarHBondContact O-N 3.49Å
675	Y	84.4	Confident	79.8	Confident	43 Å²	43	50.3 Å²	50.3	17%	0.169	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-46.5	176	178.7	-90.1	0	0	0	111	A665 F666 Q670 S672 L673 I677 V678 N679	A665-Y675 WeakPolarHBondContact O-CB 3.45Å; A665-Y675 VanDerWaalsContact O-CD2 3.31Å; A665-Y675 WeakPolarHBondContact O-CD2 3.45Å; F666-Y675 HydrophobicContact CD1-CD2 4.04Å; F666-Y675 AromaticContact CD1-CE2 3.62Å; F666-Y675 HydrophobicContact CD1-CE2 3.62Å; F666-Y675 HydrophobicContact CE1-CD2 4.3Å; F666-Y675 AromaticContact CE1-CE2 3.76Å; F666-Y675 HydrophobicContact CE1-CE2 3.76Å; Q670-Y675 HydrophobicContact CB-CD1 4.16Å; Q670-Y675 HydrophobicContact CB-CE1 3.99Å; Q670-Y675 HydrophobicContact CG-CD1 4.38Å; Q670-Y675 HydrophobicContact CG-CE1 3.82Å; S672-Y675 PolarHBondContact O-N 2.76Å; L673-Y675 PolarHBondContact O-N 2.87Å; Y675-I677 PolarHBondContact O-N 3Å; Y675-V678 PolarHBondContact O-N 3.01Å; Y675-N679 HydrophobicContact CD1-CB 4.46Å; Y675-N679 HydrophobicContact CE1-CB 4.17Å; Y675-N679 WeakPolarHBondContact O-CB 3.41Å; Y675-N679 PolarHBondContact O-N 3.18Å
676	R	89.2	Confident	81.7	Confident	139 Å²	139	52 Å²	52	53%	0.525	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-41	-179.8	-70.5	-171.5	-67.4	122.9	-3.3	112.5	S672 L673 V674 S680	S672-R676 PolarHBondContact O-N 3.43Å; S672-R676 VanDerWaalsContact O-N 3.12Å; L673-R676 VanDerWaalsContact CD1-NH2 3.35Å; L673-R676 PolarHBondContact O-N 2.7Å; V674-R676 VanDerWaalsContact C-N 3.33Å; V674-R676 PolarHBondContact O-N 3.07Å; R676-S680 VanDerWaalsContact O-CB 3.23Å; R676-S680 WeakPolarHBondContact O-CB 3.26Å; R676-S680 PolarHBondContact O-N 3.27Å
677	I	91.6	Very high	83.6	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-51	177	-68.9	169.5	0	0	0	110.3	L645 V651 A654 A655 F658 L673 V674 Y675 N679 S680 Y681	L645-I677 HydrophobicContact CD2-CD1 4.02Å; L645-I677 HydrophobicContact CD2-CG1 3.88Å; L645-I677 HydrophobicContact CD2-CG2 4.4Å; V651-I677 HydrophobicContact CG2-CG2 4.07Å; A654-I677 HydrophobicContact CB-CG2 3.9Å; A655-I677 HydrophobicContact CB-CG2 4.19Å; F658-I677 HydrophobicContact CD2-CG2 4.4Å; F658-I677 HydrophobicContact CE2-CD1 3.78Å; L673-I677 HydrophobicContact CD1-CD1 4.27Å; L673-I677 HydrophobicContact CD1-CG1 4.5Å; L673-I677 HydrophobicContact CG-CD1 3.95Å; L673-I677 WeakPolarHBondContact O-CG1 3.31Å; L673-I677 PolarHBondContact O-N 2.91Å; V674-I677 PolarHBondContact O-N 3.21Å; Y675-I677 PolarHBondContact O-N 3Å; I677-N679 PolarHBondContact O-N 2.99Å; I677-S680 WeakPolarHBondContact O-CB 3.28Å; I677-S680 PolarHBondContact O-N 3.13Å; I677-Y681 PolarHBondContact O-N 3.44Å; I677-Y681 VanDerWaalsContact O-N 3.12Å
678	V	89.1	Confident	85.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-45.3	179.9	172.6	0	0	0	0	111.2	A655 F658 I659 A665 F666 V674 Y675 S680 Y681 L682 I701	A655-V678 HydrophobicContact CB-CG2 4.16Å; F658-V678 HydrophobicContact CB-CG2 4.44Å; I659-V678 HydrophobicContact CD1-CG1 4.09Å; I659-V678 HydrophobicContact CD1-CG2 4.44Å; I659-V678 HydrophobicContact CG1-CG1 4.32Å; I659-V678 HydrophobicContact CG1-CG2 4.14Å; A665-V678 HydrophobicContact CB-CB 4.39Å; A665-V678 HydrophobicContact CB-CG2 3.9Å; F666-V678 HydrophobicContact CE2-CG1 3.69Å; F666-V678 HydrophobicContact CZ-CG1 3.87Å; V674-V678 WeakPolarHBondContact O-CG2 3.41Å; V674-V678 PolarHBondContact O-N 3.49Å; Y675-V678 PolarHBondContact O-N 3.01Å; V678-S680 VanDerWaalsContact C-N 3.3Å; V678-S680 PolarHBondContact O-N 3.41Å; V678-Y681 PolarHBondContact O-N 3.49Å; V678-L682 HydrophobicContact CG1-CD1 4.19Å; V678-L682 WeakPolarHBondContact O-CG 2.82Å; V678-L682 PolarHBondContact O-N 2.89Å; V678-I701 HydrophobicContact CG1-CD1 4.3Å
679	N	89.3	Confident	86.6	Confident	62 Å²	62	59.8 Å²	59.8	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-65.6	-33.1	178.4	-170.4	68.9	0	0	0	112.5	Y675 I677 L682 T683	Y675-N679 HydrophobicContact CD1-CB 4.46Å; Y675-N679 HydrophobicContact CE1-CB 4.17Å; Y675-N679 WeakPolarHBondContact O-CB 3.41Å; Y675-N679 PolarHBondContact O-N 3.18Å; I677-N679 PolarHBondContact O-N 2.99Å; N679-L682 PolarHBondContact O-N 3.02Å; N679-T683 WeakPolarHBondContact O-CB 3.44Å; N679-T683 PolarHBondContact O-N 3.05Å; N679-T683 PolarHBondContact O-OG1 2.87Å
680	S	92.8	Very high	88	Confident	63 Å²	63	53 Å²	53	44%	0.441	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-43.6	173.4	-173	0	0	0	0	111.2	R676 I677 V678 T683 L684	R676-S680 VanDerWaalsContact O-CB 3.23Å; R676-S680 WeakPolarHBondContact O-CB 3.26Å; R676-S680 PolarHBondContact O-N 3.27Å; I677-S680 WeakPolarHBondContact O-CB 3.28Å; I677-S680 PolarHBondContact O-N 3.13Å; V678-S680 VanDerWaalsContact C-N 3.3Å; V678-S680 PolarHBondContact O-N 3.41Å; S680-T683 PolarHBondContact O-N 2.91Å; S680-L684 WeakPolarHBondContact O-CB 3.32Å; S680-L684 PolarHBondContact O-N 2.83Å
681	Y	94.3	Very high	89	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-42.5	175.7	180	-134.3	0	0	0	112.3	Q652 A655 V656 I677 V678 T683 L684 L685 L697	Q652-Y681 HydrophobicContact CB-CD2 3.97Å; Q652-Y681 HydrophobicContact CB-CE2 3.68Å; Q652-Y681 HydrophobicContact CG-CD2 4.4Å; Q652-Y681 HydrophobicContact CG-CE1 4.14Å; Q652-Y681 HydrophobicContact CG-CE2 3.69Å; Q652-Y681 PolarHBondContact NE2-OH 3.27Å; A655-Y681 HydrophobicContact CB-CD1 3.81Å; A655-Y681 HydrophobicContact CB-CG 4.1Å; V656-Y681 HydrophobicContact CG2-CE1 4.33Å; I677-Y681 PolarHBondContact O-N 3.44Å; I677-Y681 VanDerWaalsContact O-N 3.12Å; V678-Y681 PolarHBondContact O-N 3.49Å; Y681-T683 VanDerWaalsContact C-N 3.34Å; Y681-T683 PolarHBondContact O-N 2.79Å; Y681-L684 WeakPolarHBondContact O-CB 3.46Å; Y681-L684 PolarHBondContact O-N 3.19Å; Y681-L685 HydrophobicContact CD2-CG 4.41Å; Y681-L685 HydrophobicContact CE1-CD1 4.16Å; Y681-L685 HydrophobicContact CE2-CD1 4.38Å; Y681-L685 HydrophobicContact CE2-CD2 3.86Å; Y681-L685 HydrophobicContact CE2-CG 3.99Å; Y681-L685 PolarHBondContact O-N 2.64Å; Y681-L697 HydrophobicContact CD1-CD2 3.68Å; Y681-L697 HydrophobicContact CE1-CD2 3.43Å; Y681-L697 VanDerWaalsContact CE1-CD2 3.43Å
682	L	91.5	Very high	89.9	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-43.4	175.1	-69.7	172.9	0	0	0	112.3	F666 V678 N679 L684 L685 D686 R694 L697 I701	F666-L682 HydrophobicContact CZ-CD1 3.73Å; V678-L682 HydrophobicContact CG1-CD1 4.19Å; V678-L682 WeakPolarHBondContact O-CG 2.82Å; V678-L682 PolarHBondContact O-N 2.89Å; N679-L682 PolarHBondContact O-N 3.02Å; L682-L684 PolarHBondContact O-N 2.91Å; L682-L685 PolarHBondContact O-N 2.92Å; L682-D686 PolarHBondContact O-N 3.37Å; L682-R694 HydrophobicContact CD2-CG 3.9Å; L682-L697 HydrophobicContact CD2-CD2 3.88Å; L682-L697 HydrophobicContact CD2-CG 4.47Å; L682-I701 HydrophobicContact CD1-CD1 4.49Å
683	T	92.4	Very high	90.2	Very high	48 Å²	48	55.1 Å²	55.1	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-61.9	-34.3	175.3	-57.1	0	0	0	0	111.4	N679 S680 Y681 D686 R687	N679-T683 WeakPolarHBondContact O-CB 3.44Å; N679-T683 PolarHBondContact O-N 3.05Å; N679-T683 PolarHBondContact O-OG1 2.87Å; S680-T683 PolarHBondContact O-N 2.91Å; Y681-T683 VanDerWaalsContact C-N 3.34Å; Y681-T683 PolarHBondContact O-N 2.79Å; T683-D686 WeakPolarHBondContact O-CB 3.34Å; T683-D686 PolarHBondContact O-N 2.96Å; T683-R687 VanDerWaalsContact O-CG 3.31Å; T683-R687 WeakPolarHBondContact O-CG 3.41Å; T683-R687 PolarHBondContact O-N 2.58Å
684	L	93.2	Very high	90.3	Very high	35 Å²	35	55.9 Å²	55.9	18%	0.183	25%	0.25	C	S	.	.	H	α-helix	trans	-70.1	-40.6	178	-167.9	60.5	0	0	0	111.6	M365 V651 S680 Y681 L682 D686 R687 W688	M365-L684 HydrophobicContact CE-CD2 3.96Å; V651-L684 HydrophobicContact CG1-CD2 4.14Å; S680-L684 WeakPolarHBondContact O-CB 3.32Å; S680-L684 PolarHBondContact O-N 2.83Å; Y681-L684 WeakPolarHBondContact O-CB 3.46Å; Y681-L684 PolarHBondContact O-N 3.19Å; L682-L684 PolarHBondContact O-N 2.91Å; L684-D686 VanDerWaalsContact C-N 3.33Å; L684-D686 PolarHBondContact O-N 3.36Å; L684-R687 PolarHBondContact O-N 2.8Å; L684-W688 HydrophobicContact CD1-CD2 4.24Å; L684-W688 HydrophobicContact CD1-CH2 4.15Å; L684-W688 HydrophobicContact CD1-CZ2 3.6Å; L684-W688 HydrophobicContact CD2-CE3 4.47Å; L684-W688 HydrophobicContact CD2-CH2 3.12Å; L684-W688 HydrophobicContact CD2-CZ2 3.4Å; L684-W688 HydrophobicContact CD2-CZ3 3.73Å; L684-W688 HydrophobicContact CG-CD2 3.88Å; L684-W688 HydrophobicContact CG-CE3 3.87Å; L684-W688 HydrophobicContact CG-CH2 3.36Å; L684-W688 HydrophobicContact CG-CZ2 3.35Å; L684-W688 HydrophobicContact CG-CZ3 3.63Å; L684-W688 WeakPolarHBondContact O-CB 3.09Å; L684-W688 PolarHBondContact O-N 3.35Å
685	L	93.2	Very high	90.3	Very high	1 Å²	1	58 Å²	58	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-41.9	171.9	-63.8	176	0	0	0	111.7	A369 Y681 L682 W688 Q689 L690 R694 L697	A369-L685 HydrophobicContact CB-CD2 3.94Å; Y681-L685 HydrophobicContact CD2-CG 4.41Å; Y681-L685 HydrophobicContact CE1-CD1 4.16Å; Y681-L685 HydrophobicContact CE2-CD1 4.38Å; Y681-L685 HydrophobicContact CE2-CD2 3.86Å; Y681-L685 HydrophobicContact CE2-CG 3.99Å; Y681-L685 PolarHBondContact O-N 2.64Å; L682-L685 PolarHBondContact O-N 2.92Å; L685-W688 HydrophobicContact CD2-CE3 4.23Å; L685-W688 HydrophobicContact CD2-CZ3 4.45Å; L685-W688 CarbonylContact O-C 3.58Å; L685-W688 PolarHBondContact O-N 2.83Å; L685-Q689 PolarHBondContact O-N 3.5Å; L685-L690 HydrophobicContact CB-CB 4.39Å; L685-L690 HydrophobicContact CD2-CB 4.07Å; L685-L690 HydrophobicContact CD2-CD1 3.94Å; L685-L690 PolarHBondContact O-N 3.41Å; L685-R694 HydrophobicContact CB-CB 3.94Å; L685-R694 HydrophobicContact CB-CG 4.29Å; L685-R694 HydrophobicContact CD1-CB 3.97Å; L685-R694 HydrophobicContact CD1-CG 4.31Å; L685-L697 HydrophobicContact CD1-CD2 3.95Å
686	D	91.5	Very high	90.3	Very high	43 Å²	43	59.8 Å²	59.8	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-46.8	173.8	-72.1	-40	0	0	0	111.4	L682 T683 L684 W688 Q689 W691 R694	L682-D686 PolarHBondContact O-N 3.37Å; T683-D686 WeakPolarHBondContact O-CB 3.34Å; T683-D686 PolarHBondContact O-N 2.96Å; L684-D686 VanDerWaalsContact C-N 3.33Å; L684-D686 PolarHBondContact O-N 3.36Å; D686-W688 VanDerWaalsContact C-N 3.34Å; D686-W688 PolarHBondContact O-N 3.42Å; D686-Q689 PolarHBondContact O-N 3.47Å; D686-W691 HydrophobicContact CB-CH2 4.17Å; D686-W691 HydrophobicContact CB-CZ3 3.79Å; D686-W691 WeakPolarHBondContact O-CH2 3.41Å; D686-W691 VanDerWaalsContact OD1-CE3 3.32Å; D686-W691 WeakPolarHBondContact OD1-CZ3 3.25Å; D686-R694 VanDerWaalsContact CG-CD 3.5Å; D686-R694 WeakPolarHBondContact OD1-CD 3.34Å; D686-R694 IonicContact OD1-CZ 3.42Å; D686-R694 IonicContact OD1-NE 3.34Å; D686-R694 PolarHBondContact OD1-NE 2.88Å; D686-R694 IonicContact OD2-CZ 3.54Å; D686-R694 IonicContact OD2-NE 3.45Å; D686-R694 PolarHBondContact OD2-NE 2.61Å; D686-R694 IonicContact OD2-NH2 3.49Å
687	R	90.7	Very high	90	Very high	179 Å²	179	53.2 Å²	53.2	68%	0.675	25%	0.254	S	S	*	.	H	α-helix	trans	-64.9	-35.8	178.9	-74.1	177.9	-178.2	-167.5	2.2	113.1	P339 T683 L684 Q689	P339-R687 WeakPolarHBondContact CB-O 3.33Å; T683-R687 VanDerWaalsContact O-CG 3.31Å; T683-R687 WeakPolarHBondContact O-CG 3.41Å; T683-R687 PolarHBondContact O-N 2.58Å; L684-R687 PolarHBondContact O-N 2.8Å; R687-Q689 PolarHBondContact O-N 3.34Å
688	W	91.2	Very high	89.5	Confident	16 Å²	16	54.7 Å²	54.7	6%	0.061	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.5	173.7	-66.3	-31.5	0	0	0	113.7	S362 M365 K366 L684 L685 D686 L690	S362-W688 WeakPolarHBondContact O-CH2 3.16Å; S362-W688 WeakPolarHBondContact O-CZ2 3.28Å; M365-W688 HydrophobicContact CB-CH2 3.6Å; M365-W688 HydrophobicContact CB-CZ3 4.24Å; M365-W688 HydrophobicContact CE-CH2 4.39Å; K366-W688 HydrophobicContact CB-CD2 4.02Å; K366-W688 HydrophobicContact CB-CE3 4.01Å; K366-W688 HydrophobicContact CB-CH2 4.1Å; K366-W688 HydrophobicContact CB-CZ2 4.1Å; K366-W688 HydrophobicContact CB-CZ3 4.05Å; K366-W688 HydrophobicContact CD-CB 4.35Å; K366-W688 HydrophobicContact CD-CD2 4.23Å; K366-W688 HydrophobicContact CD-CG 4Å; K366-W688 HydrophobicContact CG-CD2 4.02Å; K366-W688 HydrophobicContact CG-CE3 4.14Å; K366-W688 HydrophobicContact CG-CG 4.22Å; L684-W688 HydrophobicContact CD1-CD2 4.24Å; L684-W688 HydrophobicContact CD1-CH2 4.15Å; L684-W688 HydrophobicContact CD1-CZ2 3.6Å; L684-W688 HydrophobicContact CD2-CE3 4.47Å; L684-W688 HydrophobicContact CD2-CH2 3.12Å; L684-W688 HydrophobicContact CD2-CZ2 3.4Å; L684-W688 HydrophobicContact CD2-CZ3 3.73Å; L684-W688 HydrophobicContact CG-CD2 3.88Å; L684-W688 HydrophobicContact CG-CE3 3.87Å; L684-W688 HydrophobicContact CG-CH2 3.36Å; L684-W688 HydrophobicContact CG-CZ2 3.35Å; L684-W688 HydrophobicContact CG-CZ3 3.63Å; L684-W688 WeakPolarHBondContact O-CB 3.09Å; L684-W688 PolarHBondContact O-N 3.35Å; L685-W688 HydrophobicContact CD2-CE3 4.23Å; L685-W688 HydrophobicContact CD2-CZ3 4.45Å; L685-W688 CarbonylContact O-C 3.58Å; L685-W688 PolarHBondContact O-N 2.83Å; D686-W688 VanDerWaalsContact C-N 3.34Å; D686-W688 PolarHBondContact O-N 3.42Å; W688-L690 HydrophobicContact CB-CD1 4.26Å; W688-L690 HydrophobicContact CB-CG 3.96Å; W688-L690 HydrophobicContact CE3-CD1 4.1Å; W688-L690 PolarHBondContact O-N 2.95Å
689	Q	92.6	Very high	88.9	Confident	121 Å²	121	59 Å²	59	57%	0.565	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	28.8	-176.7	-54.2	-179.6	-25.1	0	0	113.4	P339 L685 D686 R687 W691	P339-Q689 HydrophobicContact CB-CG 4.27Å; P339-Q689 HydrophobicContact CG-CG 4.03Å; L685-Q689 PolarHBondContact O-N 3.5Å; D686-Q689 PolarHBondContact O-N 3.47Å; R687-Q689 PolarHBondContact O-N 3.34Å; Q689-W691 HydrophobicContact CB-CZ2 4.24Å; Q689-W691 HydrophobicContact CG-CZ2 4.07Å; Q689-W691 PolarHBondContact O-N 2.78Å; Q689-W691 VanDerWaalsContact O-N 3.1Å
690	L	91	Very high	88.3	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.068	27%	0.266	C	S	.	.			trans	-86.6	58	175.3	-64.2	-174.9	0	0	0	110.4	K366 A369 Q370 L685 W688 K692 E693 R694	K366-L690 HydrophobicContact CG-CD1 4.19Å; A369-L690 HydrophobicContact CB-CD1 3.77Å; Q370-L690 HydrophobicContact CG-CD1 4.15Å; Q370-L690 HydrophobicContact CG-CD2 3.83Å; L685-L690 HydrophobicContact CB-CB 4.39Å; L685-L690 HydrophobicContact CD2-CB 4.07Å; L685-L690 HydrophobicContact CD2-CD1 3.94Å; L685-L690 PolarHBondContact O-N 3.41Å; W688-L690 HydrophobicContact CB-CD1 4.26Å; W688-L690 HydrophobicContact CB-CG 3.96Å; W688-L690 HydrophobicContact CE3-CD1 4.1Å; W688-L690 PolarHBondContact O-N 2.95Å; L690-K692 VanDerWaalsContact C-N 3.31Å; L690-K692 PolarHBondContact O-N 2.73Å; L690-E693 VanDerWaalsContact C-OE2 3.29Å; L690-E693 WeakPolarHBondContact CA-OE2 3.25Å; L690-E693 HydrophobicContact CB-CB 4.24Å; L690-E693 HydrophobicContact CB-CG 4.44Å; L690-E693 WeakPolarHBondContact CB-OE2 3.38Å; L690-E693 PolarHBondContact O-N 2.91Å; L690-R694 WeakPolarHBondContact O-CB 3.31Å; L690-R694 PolarHBondContact O-N 3.45Å
691	W	89.3	Confident	87.6	Confident	146 Å²	146	53.7 Å²	53.7	55%	0.553	25%	0.248	S	C	*	.	H	α-helix	trans	-64.6	-35.7	-172.2	-49.3	108.9	0	0	0	112.8	D686 Q689 A695	D686-W691 HydrophobicContact CB-CH2 4.17Å; D686-W691 HydrophobicContact CB-CZ3 3.79Å; D686-W691 WeakPolarHBondContact O-CH2 3.41Å; D686-W691 VanDerWaalsContact OD1-CE3 3.32Å; D686-W691 WeakPolarHBondContact OD1-CZ3 3.25Å; Q689-W691 HydrophobicContact CB-CZ2 4.24Å; Q689-W691 HydrophobicContact CG-CZ2 4.07Å; Q689-W691 PolarHBondContact O-N 2.78Å; Q689-W691 VanDerWaalsContact O-N 3.1Å; W691-A695 WeakPolarHBondContact O-CB 3.49Å; W691-A695 PolarHBondContact O-N 2.79Å
692	K	86.8	Confident	86.7	Confident	137 Å²	137	54 Å²	54	60%	0.596	25%	0.251	S	S	*	.	H	α-helix	trans	-67.2	-51.2	179.4	-179.3	-173	167.8	-168.1	0	110.1	L690 R694 A695 E696	L690-K692 VanDerWaalsContact C-N 3.31Å; L690-K692 PolarHBondContact O-N 2.73Å; K692-R694 VanDerWaalsContact C-N 3.26Å; K692-R694 PolarHBondContact O-N 2.94Å; K692-A695 PolarHBondContact O-N 3Å; K692-A695 VanDerWaalsContact O-N 3.1Å; K692-E696 WeakPolarHBondContact CE-OE1 3.42Å; K692-E696 IonicContact NZ-OE1 2.94Å; K692-E696 WeakPolarHBondContact O-CG 3.35Å; K692-E696 PolarHBondContact O-N 3.11Å
693	E	88.7	Confident	85.8	Confident	37 Å²	37	58.9 Å²	58.9	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-40.9	178.8	-62.6	71.3	-163.2	0	0	110.1	L375 L690 E696 L697	L375-E693 HydrophobicContact CD1-CB 4.19Å; L375-E693 HydrophobicContact CD1-CG 4.21Å; L375-E693 WeakPolarHBondContact CD2-O 3.33Å; L690-E693 VanDerWaalsContact C-OE2 3.29Å; L690-E693 WeakPolarHBondContact CA-OE2 3.25Å; L690-E693 HydrophobicContact CB-CB 4.24Å; L690-E693 HydrophobicContact CB-CG 4.44Å; L690-E693 WeakPolarHBondContact CB-OE2 3.38Å; L690-E693 PolarHBondContact O-N 2.91Å; E693-E696 PolarHBondContact O-N 2.8Å; E693-L697 WeakPolarHBondContact O-CB 3.36Å; E693-L697 PolarHBondContact O-N 2.83Å
694	R	88.9	Confident	84.6	Confident	62 Å²	62	58 Å²	58	23%	0.234	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-43.6	173.4	-171.9	-165.5	177.4	-66.5	6.4	112.6	L682 L685 D686 L690 K692 L697 H698	L682-R694 HydrophobicContact CD2-CG 3.9Å; L685-R694 HydrophobicContact CB-CB 3.94Å; L685-R694 HydrophobicContact CB-CG 4.29Å; L685-R694 HydrophobicContact CD1-CB 3.97Å; L685-R694 HydrophobicContact CD1-CG 4.31Å; D686-R694 VanDerWaalsContact CG-CD 3.5Å; D686-R694 WeakPolarHBondContact OD1-CD 3.34Å; D686-R694 IonicContact OD1-CZ 3.42Å; D686-R694 IonicContact OD1-NE 3.34Å; D686-R694 PolarHBondContact OD1-NE 2.88Å; D686-R694 IonicContact OD2-CZ 3.54Å; D686-R694 IonicContact OD2-NE 3.45Å; D686-R694 PolarHBondContact OD2-NE 2.61Å; D686-R694 IonicContact OD2-NH2 3.49Å; L690-R694 WeakPolarHBondContact O-CB 3.31Å; L690-R694 PolarHBondContact O-N 3.45Å; K692-R694 VanDerWaalsContact C-N 3.26Å; K692-R694 PolarHBondContact O-N 2.94Å; R694-L697 PolarHBondContact O-N 2.97Å; R694-H698 VanDerWaalsContact O-CB 3.32Å; R694-H698 WeakPolarHBondContact O-CB 3.39Å; R694-H698 PolarHBondContact O-N 2.55Å
695	A	84.4	Confident	83.3	Confident	57 Å²	57	57 Å²	57	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-42.8	178.8	0	0	0	0	0	111.5	W691 K692 H698 Q699	W691-A695 WeakPolarHBondContact O-CB 3.49Å; W691-A695 PolarHBondContact O-N 2.79Å; K692-A695 PolarHBondContact O-N 3Å; K692-A695 VanDerWaalsContact O-N 3.1Å; A695-H698 PolarHBondContact O-N 3.23Å; A695-Q699 PolarHBondContact O-N 2.84Å
696	E	84	Confident	81.5	Confident	79 Å²	79	61.1 Å²	61.1	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.9	-71.8	176.5	178.7	0	0	111.7	L375 K692 E693 Q699 A700	L375-E696 HydrophobicContact CD1-CB 4.48Å; L375-E696 VanDerWaalsContact CD1-OE2 3.27Å; L375-E696 WeakPolarHBondContact CD1-OE2 3.32Å; L375-E696 HydrophobicContact CD2-CB 3.86Å; K692-E696 WeakPolarHBondContact CE-OE1 3.42Å; K692-E696 IonicContact NZ-OE1 2.94Å; K692-E696 WeakPolarHBondContact O-CG 3.35Å; K692-E696 PolarHBondContact O-N 3.11Å; E693-E696 PolarHBondContact O-N 2.8Å; E696-Q699 PolarHBondContact O-N 2.88Å; E696-A700 PolarHBondContact O-N 2.84Å
697	L	84.7	Confident	80	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-40.2	174.8	-172.4	65.1	0	0	0	111.9	L375 I659 Y681 L682 L685 E693 R694 Q699 A700 I701	L375-L697 HydrophobicContact CD2-CB 3.87Å; L375-L697 HydrophobicContact CD2-CD1 4.44Å; I659-L697 HydrophobicContact CD1-CD1 3.73Å; I659-L697 HydrophobicContact CD1-CD2 4.19Å; I659-L697 HydrophobicContact CD1-CG 4.04Å; Y681-L697 HydrophobicContact CD1-CD2 3.68Å; Y681-L697 HydrophobicContact CE1-CD2 3.43Å; Y681-L697 VanDerWaalsContact CE1-CD2 3.43Å; L682-L697 HydrophobicContact CD2-CD2 3.88Å; L682-L697 HydrophobicContact CD2-CG 4.47Å; L685-L697 HydrophobicContact CD1-CD2 3.95Å; E693-L697 WeakPolarHBondContact O-CB 3.36Å; E693-L697 PolarHBondContact O-N 2.83Å; R694-L697 PolarHBondContact O-N 2.97Å; L697-Q699 VanDerWaalsContact C-N 3.35Å; L697-A700 VanDerWaalsContact O-CB 3.29Å; L697-A700 WeakPolarHBondContact O-CB 3.43Å; L697-A700 PolarHBondContact O-N 3.36Å; L697-I701 HydrophobicContact CG-CD1 4.35Å; L697-I701 WeakPolarHBondContact O-CD1 3.34Å; L697-I701 VanDerWaalsContact O-CG1 3.28Å; L697-I701 WeakPolarHBondContact O-CG1 3.23Å; L697-I701 PolarHBondContact O-N 2.89Å
698	H	79.6	Confident	78.4	Confident	39 Å²	39	61.8 Å²	61.8	18%	0.181	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-38.6	177.3	-162.7	-170.5	0	0	0	111.7	R694 A695 A700 I701 A702 L712	R694-H698 VanDerWaalsContact O-CB 3.32Å; R694-H698 WeakPolarHBondContact O-CB 3.39Å; R694-H698 PolarHBondContact O-N 2.55Å; A695-H698 PolarHBondContact O-N 3.23Å; H698-A700 VanDerWaalsContact C-N 3.34Å; H698-I701 PolarHBondContact O-N 3.02Å; H698-A702 PolarHBondContact O-N 3.45Å; H698-L712 HydrophobicContact CB-CD2 4.49Å
699	Q	77.6	Confident	76.6	Confident	90 Å²	90	65.6 Å²	65.6	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-40.4	170.9	-173.3	65.6	50.3	0	0	111.4	A695 E696 L697 I701 A702 N703 L712	A695-Q699 PolarHBondContact O-N 2.84Å; E696-Q699 PolarHBondContact O-N 2.88Å; L697-Q699 VanDerWaalsContact C-N 3.35Å; Q699-I701 VanDerWaalsContact C-N 3.33Å; Q699-I701 PolarHBondContact O-N 3Å; Q699-A702 PolarHBondContact O-N 3.12Å; Q699-N703 PolarHBondContact NE2-OD1 2.91Å; Q699-N703 WeakPolarHBondContact O-CB 3.09Å; Q699-N703 PolarHBondContact O-N 2.71Å; Q699-N703 PolarHBondContact O-ND2 3.11Å; Q699-N703 PolarHBondContact O-OD1 2.7Å; Q699-L712 VanDerWaalsContact OE1-CD1 3.23Å
700	A	77.2	Confident	74.7	Confident	3 Å²	3	61.6 Å²	61.6	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-44.2	175.5	0	0	0	0	0	111.9	P376 E696 L697 H698 N703 H704	P376-A700 HydrophobicContact CG-CB 3.47Å; P376-A700 VanDerWaalsContact CG-CB 3.47Å; E696-A700 PolarHBondContact O-N 2.84Å; L697-A700 VanDerWaalsContact O-CB 3.29Å; L697-A700 WeakPolarHBondContact O-CB 3.43Å; L697-A700 PolarHBondContact O-N 3.36Å; H698-A700 VanDerWaalsContact C-N 3.34Å; A700-N703 PolarHBondContact O-N 3.38Å; A700-H704 PolarHBondContact O-CD2 3.08Å; A700-H704 PolarHBondContact O-N 3.14Å
701	I	77.9	Confident	72.8	Confident	12 Å²	12	65.6 Å²	65.6	6%	0.062	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-48.3	174.8	-66.1	157.4	0	0	0	110.5	I659 F666 V678 L682 L697 H698 Q699 N703 H704 D705 L710	I659-I701 HydrophobicContact CB-CG1 4.47Å; I659-I701 HydrophobicContact CD1-CD1 3.94Å; I659-I701 HydrophobicContact CD1-CG1 3.91Å; I659-I701 HydrophobicContact CG1-CD1 4.34Å; I659-I701 HydrophobicContact CG1-CG1 3.89Å; I659-I701 HydrophobicContact CG2-CG1 3.76Å; F666-I701 HydrophobicContact CD2-CG2 3.34Å; F666-I701 HydrophobicContact CE2-CB 4.43Å; F666-I701 HydrophobicContact CE2-CD1 3.63Å; F666-I701 HydrophobicContact CE2-CG1 4.21Å; F666-I701 HydrophobicContact CE2-CG2 3.51Å; F666-I701 HydrophobicContact CG-CG2 4.38Å; F666-I701 HydrophobicContact CZ-CD1 4.23Å; V678-I701 HydrophobicContact CG1-CD1 4.3Å; L682-I701 HydrophobicContact CD1-CD1 4.49Å; L697-I701 HydrophobicContact CG-CD1 4.35Å; L697-I701 WeakPolarHBondContact O-CD1 3.34Å; L697-I701 VanDerWaalsContact O-CG1 3.28Å; L697-I701 WeakPolarHBondContact O-CG1 3.23Å; L697-I701 PolarHBondContact O-N 2.89Å; H698-I701 PolarHBondContact O-N 3.02Å; Q699-I701 VanDerWaalsContact C-N 3.33Å; Q699-I701 PolarHBondContact O-N 3Å; I701-N703 PolarHBondContact O-N 3.31Å; I701-H704 CarbonylContact O-C 3.54Å; I701-H704 WeakPolarHBondContact O-CA 3.44Å; I701-H704 PolarHBondContact O-N 3.45Å; I701-D705 PolarHBondContact O-N 3.36Å; I701-D705 VanDerWaalsContact O-N 3.08Å; I701-L710 HydrophobicContact CB-CD1 4.47Å; I701-L710 HydrophobicContact CG2-CD1 3.34Å
702	A	74.1	Confident	71	Confident	10 Å²	10	60.7 Å²	60.7	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-41.8	-179.8	0	0	0	0	0	112.2	H698 Q699 H704 D705 L712	H698-A702 PolarHBondContact O-N 3.45Å; Q699-A702 PolarHBondContact O-N 3.12Å; A702-H704 PolarHBondContact O-N 2.59Å; A702-H704 VanDerWaalsContact O-N 3.07Å; A702-D705 PolarHBondContact O-N 2.89Å; A702-D705 VanDerWaalsContact O-N 3.11Å; A702-L712 HydrophobicContact CB-CD1 3.64Å; A702-L712 HydrophobicContact CB-CG 4.06Å
703	N	72.3	Confident	69.3	Low	108 Å²	108	59.8 Å²	59.8	58%	0.578	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.4	173.8	-68	-9.9	0	0	0	113.1	Q699 A700 I701	Q699-N703 PolarHBondContact NE2-OD1 2.91Å; Q699-N703 WeakPolarHBondContact O-CB 3.09Å; Q699-N703 PolarHBondContact O-N 2.71Å; Q699-N703 PolarHBondContact O-ND2 3.11Å; Q699-N703 PolarHBondContact O-OD1 2.7Å; A700-N703 PolarHBondContact O-N 3.38Å; I701-N703 PolarHBondContact O-N 3.31Å
704	H	69	Low	67.6	Low	30 Å²	30	66.4 Å²	66.4	14%	0.139	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	11	179	-63.8	-27.9	0	0	0	112.8	R419 S663 A700 I701 A702	R419-H704 PolarHBondContact NH1-CE1 3.03Å; R419-H704 PolarHBondContact NH1-ND1 3.12Å; R419-H704 PolarHBondContact NH2-ND1 2.96Å; S663-H704 WeakPolarHBondContact CA-O 3.39Å; S663-H704 PolarHBondContact N-O 2.78Å; S663-H704 PolarHBondContact OG-O 2.98Å; A700-H704 PolarHBondContact O-CD2 3.08Å; A700-H704 PolarHBondContact O-N 3.14Å; I701-H704 CarbonylContact O-C 3.54Å; I701-H704 WeakPolarHBondContact O-CA 3.44Å; I701-H704 PolarHBondContact O-N 3.45Å; A702-H704 PolarHBondContact O-N 2.59Å; A702-H704 VanDerWaalsContact O-N 3.07Å
705	D	64.7	Low	66	Low	12 Å²	12	69.5 Å²	69.5	6%	0.064	38%	0.384	C	S	.	.			trans	-90.5	113.8	170.2	-176.6	0	0	0	0	109.1	I701 A702 N707 N708 I709 L710	I701-D705 PolarHBondContact O-N 3.36Å; I701-D705 VanDerWaalsContact O-N 3.08Å; A702-D705 PolarHBondContact O-N 2.89Å; A702-D705 VanDerWaalsContact O-N 3.11Å; D705-N707 PolarHBondContact O-N 2.8Å; D705-N707 PolarHBondContact OD1-N 3.37Å; D705-N707 VanDerWaalsContact OD1-N 3.09Å; D705-N708 PolarHBondContact O-N 3.26Å; D705-I709 WeakPolarHBondContact OD2-CA 3.37Å; D705-I709 PolarHBondContact OD2-N 2.76Å; D705-L710 PolarHBondContact OD2-N 2.77Å
706	P	56.6	Low	64.8	Low	88 Å²	88	71.2 Å²	71.2	57%	0.571	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-19.2	-175.2	30.6	-24.5	0	0	0	111.1	S663	S663-P706 VanDerWaalsContact CB-CD 3.41Å; S663-P706 WeakPolarHBondContact OG-CD 3.36Å; S663-P706 WeakPolarHBondContact OG-CG 3.4Å
707	N	58.3	Low	63.8	Low	108 Å²	108	70.1 Å²	70.1	58%	0.578	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.8	-177.4	-64.2	-38.6	0	0	0	112.4	D705 I709	D705-N707 PolarHBondContact O-N 2.8Å; D705-N707 PolarHBondContact OD1-N 3.37Å; D705-N707 VanDerWaalsContact OD1-N 3.09Å; N707-I709 HydrophobicContact CB-CD1 3.42Å; N707-I709 VanDerWaalsContact CB-CD1 3.42Å; N707-I709 HydrophobicContact CB-CG1 3.46Å; N707-I709 VanDerWaalsContact CB-CG1 3.46Å; N707-I709 PolarHBondContact O-N 2.84Å
708	N	57	Low	63.1	Low	128 Å²	128	71.4 Å²	71.4	68%	0.684	39%	0.394	S	S	*	.			trans	47.3	30.8	-170.8	-76.2	-28.1	0	0	0	112.7	D705 L710 S711	D705-N708 PolarHBondContact O-N 3.26Å; N708-L710 VanDerWaalsContact C-N 3.28Å; N708-L710 PolarHBondContact O-N 2.81Å; N708-S711 PolarHBondContact O-N 3.38Å
709	I	53.4	Low	63	Low	97 Å²	97	69.6 Å²	69.6	50%	0.497	39%	0.386	S	S	.	.			trans	-66.7	-37.6	-178.8	-68.9	160.9	0	0	0	109.6	D705 N707 S711	D705-I709 WeakPolarHBondContact OD2-CA 3.37Å; D705-I709 PolarHBondContact OD2-N 2.76Å; N707-I709 HydrophobicContact CB-CD1 3.42Å; N707-I709 VanDerWaalsContact CB-CD1 3.42Å; N707-I709 HydrophobicContact CB-CG1 3.46Å; N707-I709 VanDerWaalsContact CB-CG1 3.46Å; N707-I709 PolarHBondContact O-N 2.84Å; I709-S711 PolarHBondContact O-N 3.35Å
710	L	52.5	Low	63.1	Low	37 Å²	37	69 Å²	69	19%	0.194	39%	0.391	C	S	.	.			trans	-72.1	70.5	165.1	-65.3	172.4	0	0	0	109.1	F666 I701 D705 N708 L712	F666-L710 HydrophobicContact CB-CD1 3.69Å; F666-L710 HydrophobicContact CB-CD2 3.91Å; F666-L710 HydrophobicContact CB-CG 3.91Å; F666-L710 HydrophobicContact CD1-CD1 4.4Å; F666-L710 HydrophobicContact CD1-CD2 3.92Å; F666-L710 HydrophobicContact CD2-CD1 3.79Å; F666-L710 HydrophobicContact CG-CD1 3.7Å; F666-L710 HydrophobicContact CG-CD2 3.95Å; F666-L710 HydrophobicContact CG-CG 4.23Å; I701-L710 HydrophobicContact CB-CD1 4.47Å; I701-L710 HydrophobicContact CG2-CD1 3.34Å; D705-L710 PolarHBondContact OD2-N 2.77Å; N708-L710 VanDerWaalsContact C-N 3.28Å; N708-L710 PolarHBondContact O-N 2.81Å; L710-L712 PolarHBondContact O-N 3.06Å
711	S	52	Low	63.3	Low	97 Å²	97	75 Å²	75	68%	0.678	41%	0.414	S	S	*	.			trans	-59.2	96.6	154.4	61.7	0	0	0	0	105.6	N708 I709 P713	N708-S711 PolarHBondContact O-N 3.38Å; I709-S711 PolarHBondContact O-N 3.35Å; S711-P713 WeakPolarHBondContact O-CD 3.44Å
712	L	51.6	Low	63.6	Low	43 Å²	43	76.4 Å²	76.4	23%	0.225	42%	0.424	C	S	.	.			trans	-48.7	120	166.6	-77.5	154.7	0	0	0	105.2	H698 Q699 A702 L710 Y714	H698-L712 HydrophobicContact CB-CD2 4.49Å; Q699-L712 VanDerWaalsContact OE1-CD1 3.23Å; A702-L712 HydrophobicContact CB-CD1 3.64Å; A702-L712 HydrophobicContact CB-CG 4.06Å; L710-L712 PolarHBondContact O-N 3.06Å; L712-Y714 WeakPolarHBondContact O-CD1 3.42Å; L712-Y714 PolarHBondContact O-N 2.84Å
713	P	50.3	Low	63.9	Low	117 Å²	117	82.8 Å²	82.8	76%	0.76	45%	0.453	S	S	*	.			trans	-63.8	94.3	166.6	25.1	-29.7	0	0	0	105.2	S711 T715	S711-P713 WeakPolarHBondContact O-CD 3.44Å; P713-T715 PolarHBondContact O-N 2.82Å
714	Y	54.1	Low	64.3	Low	176 Å²	176	82.2 Å²	82.2	69%	0.69	45%	0.446	S	S	*	.			trans	-81.9	114.4	172.7	60.4	-79.1	0	0	0	105.6	L712 I716	L712-Y714 WeakPolarHBondContact O-CD1 3.42Å; L712-Y714 PolarHBondContact O-N 2.84Å; Y714-I716 HydrophobicContact CD2-CD1 3.95Å; Y714-I716 HydrophobicContact CD2-CG1 3.29Å; Y714-I716 HydrophobicContact CE2-CD1 3.25Å; Y714-I716 HydrophobicContact CE2-CG1 3.17Å; Y714-I716 HydrophobicContact CG-CG1 4.48Å; Y714-I716 PolarHBondContact O-N 2.82Å
715	T	54.9	Low	64.5	Low	128 Å²	128	82.7 Å²	82.7	79%	0.785	45%	0.452	S	S	*	.			trans	-68.5	102	170.2	-51.7	0	0	0	0	107.2	P713 L717	P713-T715 PolarHBondContact O-N 2.82Å; T715-L717 PolarHBondContact O-N 2.81Å
716	I	58.8	Low	64.7	Low	92 Å²	92	82.8 Å²	82.8	47%	0.472	45%	0.453	S	S	.	.			trans	-73.8	116.3	170.6	-53.5	173.1	0	0	0	107.3	Y714 G718 P725	Y714-I716 HydrophobicContact CD2-CD1 3.95Å; Y714-I716 HydrophobicContact CD2-CG1 3.29Å; Y714-I716 HydrophobicContact CE2-CD1 3.25Å; Y714-I716 HydrophobicContact CE2-CG1 3.17Å; Y714-I716 HydrophobicContact CG-CG1 4.48Å; Y714-I716 PolarHBondContact O-N 2.82Å; I716-G718 PolarHBondContact O-N 2.85Å; I716-G718 VanDerWaalsContact O-N 3.11Å; I716-P725 HydrophobicContact CG2-CB 3.68Å
717	L	63.5	Low	65.1	Low	56 Å²	56	84.3 Å²	84.3	29%	0.293	45%	0.448	S	S	.	.			trans	-74	100.7	167	-81.6	156.4	0	0	0	109	T715 I726 Y727 V760	T715-L717 PolarHBondContact O-N 2.81Å; L717-I726 HydrophobicContact CB-CD1 4.38Å; L717-I726 PolarHBondContact O-N 2.95Å; L717-Y727 HydrophobicContact CB-CE2 4.09Å; L717-Y727 HydrophobicContact CD1-CE2 4.36Å; L717-V760 HydrophobicContact CD1-CG1 4.42Å; L717-V760 HydrophobicContact CD2-CG1 3.54Å; L717-V760 HydrophobicContact CG-CG1 4.46Å
718	G	69.8	Low	64.4	Low	29 Å²	29	82.1 Å²	82.1	30%	0.299	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-92.5	148	172	0	0	0	0	0	111.9	I716 S720 Q724	I716-G718 PolarHBondContact O-N 2.85Å; I716-G718 VanDerWaalsContact O-N 3.11Å; G718-S720 PolarHBondContact O-N 3.29Å; G718-Q724 WeakPolarHBondContact CA-O 3.5Å
719	C	77.4	Confident	63.5	Low	1 Å²	1	77.8 Å²	77.8	1%	0.007	42%	0.421	C	S	.	.			trans	-68.2	126.2	168.9	173	0	0	0	0	110.1	Y721 C722 Q723 Q724 I726 C743 L750	C719-Y721 PolarHBondContact O-N 2.77Å; C719-Y721 PolarHBondContact SG-N 3.01Å; C719-Y721 VanDerWaalsContact SG-N 3.44Å; C719-C722 VanDerWaalsContact CB-SG 3.57Å; C719-C722 PolarHBondContact O-N 2.86Å; C719-Q723 WeakPolarHBondContact O-CA 3.43Å; C719-Q723 PolarHBondContact O-N 2.84Å; C719-Q724 PolarHBondContact N-O 2.99Å; C719-I726 HydrophobicContact CB-CG1 4.42Å; C719-C743 HydrophobicContact CB-CB 4.15Å; C719-L750 HydrophobicContact CB-CD2 4.44Å
720	S	79	Confident	62.7	Low	76 Å²	76	79.3 Å²	79.3	53%	0.531	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.3	179.6	-43	0	0	0	0	114.3	G718	G718-S720 PolarHBondContact O-N 3.29Å
721	Y	82	Confident	62.1	Low	131 Å²	131	81.4 Å²	81.4	51%	0.514	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-43.3	-177.6	-64.5	-77	0	0	0	114.5	C719 R748 P749	C719-Y721 PolarHBondContact O-N 2.77Å; C719-Y721 PolarHBondContact SG-N 3.01Å; C719-Y721 VanDerWaalsContact SG-N 3.44Å; Y721-R748 VanDerWaalsContact CD1-NH1 3.25Å; Y721-R748 HydrophobicContact CD2-CB 3.73Å; Y721-R748 HydrophobicContact CE2-CB 4.17Å; Y721-R748 HydrophobicContact CG-CB 4.12Å; Y721-R748 VanDerWaalsContact CG-CD 3.44Å; Y721-R748 HydrophobicContact CG-CG 4.44Å; Y721-P749 WeakPolarHBondContact CE2-O 3.27Å
722	C	85.1	Confident	61.3	Low	40 Å²	40	86.6 Å²	86.6	27%	0.27	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.4	-178.6	63.2	0	0	0	0	113.7	C719 Q724 C743 C746	C719-C722 VanDerWaalsContact CB-SG 3.57Å; C719-C722 PolarHBondContact O-N 2.86Å; C722-Q724 HydrophobicContact CB-CG 4.42Å; C722-Q724 PolarHBondContact O-N 2.95Å; C722-C743 VanDerWaalsContact SG-SG 3.63Å; C722-C746 HydrophobicContact CB-CB 3.88Å; C722-C746 VanDerWaalsContact SG-SG 3.63Å
723	Q	80.6	Confident	60.9	Low	144 Å²	144	91.9 Å²	91.9	67%	0.673	48%	0.48	S	S	*	.			trans	58.8	1.8	-175.9	-56.6	-65.9	-11.5	0	0	115	C719	C719-Q723 WeakPolarHBondContact O-CA 3.43Å; C719-Q723 PolarHBondContact O-N 2.84Å
724	Q	79.9	Confident	60.4	Low	96 Å²	96	93 Å²	93	45%	0.449	48%	0.479	S	S	.	.			trans	-69.5	141.2	175.6	-66	-61.3	-34.5	0	0	110.4	G718 C719 C722 I726 E745	G718-Q724 WeakPolarHBondContact CA-O 3.5Å; C719-Q724 PolarHBondContact N-O 2.99Å; C722-Q724 HydrophobicContact CB-CG 4.42Å; C722-Q724 PolarHBondContact O-N 2.95Å; Q724-I726 PolarHBondContact O-N 3.13Å; Q724-E745 HydrophobicContact CB-CB 4.43Å; Q724-E745 HydrophobicContact CB-CG 4.06Å; Q724-E745 HydrophobicContact CG-CG 4.37Å
725	P	72.8	Confident	59.8	Low	41 Å²	41	90.3 Å²	90.3	27%	0.266	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-60.3	134.5	173.8	25.7	-33.3	0	0	0	110.1	I716 Y727 S728	I716-P725 HydrophobicContact CG2-CB 3.68Å; P725-Y727 PolarHBondContact O-N 3.16Å; P725-Y727 VanDerWaalsContact O-N 3.13Å; P725-S728 PolarHBondContact O-N 3.32Å; P725-S728 PolarHBondContact O-OG 3.05Å
726	I	68.2	Low	59.2	Low	14 Å²	14	87.5 Å²	87.5	7%	0.072	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.2	-177.6	-61.2	167.2	0	0	0	111.2	L717 C719 Q724 L750 V760	L717-I726 HydrophobicContact CB-CD1 4.38Å; L717-I726 PolarHBondContact O-N 2.95Å; C719-I726 HydrophobicContact CB-CG1 4.42Å; Q724-I726 PolarHBondContact O-N 3.13Å; I726-L750 HydrophobicContact CD1-CD1 4.21Å; I726-L750 HydrophobicContact CD1-CD2 3.57Å; I726-L750 HydrophobicContact CG1-CD2 4.09Å; I726-L750 HydrophobicContact CG2-CD1 4.14Å; I726-V760 HydrophobicContact CD1-CG1 4.24Å
727	Y	65.5	Low	58.4	Low	119 Å²	119	89.9 Å²	89.9	47%	0.467	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-11	-177.6	-63.3	-82.7	0	0	0	115.8	L717 P725 S729 W736	L717-Y727 HydrophobicContact CB-CE2 4.09Å; L717-Y727 HydrophobicContact CD1-CE2 4.36Å; P725-Y727 PolarHBondContact O-N 3.16Å; P725-Y727 VanDerWaalsContact O-N 3.13Å; Y727-S729 VanDerWaalsContact C-N 3.28Å; Y727-S729 PolarHBondContact O-N 3.17Å; Y727-S729 VanDerWaalsContact O-N 3.11Å; Y727-W736 AromaticContact CD1-CH2 3.22Å; Y727-W736 HydrophobicContact CD1-CH2 3.22Å; Y727-W736 AromaticContact CD1-CZ2 3.64Å; Y727-W736 HydrophobicContact CD1-CZ2 3.64Å; Y727-W736 HydrophobicContact CD1-CZ3 4.12Å; Y727-W736 AromaticContact CE1-CH2 3.37Å; Y727-W736 HydrophobicContact CE1-CH2 3.37Å; Y727-W736 HydrophobicContact CE1-CZ2 4.14Å; Y727-W736 AromaticContact CE1-CZ3 3.79Å; Y727-W736 HydrophobicContact CE1-CZ3 3.79Å; Y727-W736 HydrophobicContact CG-CH2 4.15Å
728	S	44	Very low	57.8	Low	62 Å²	62	92 Å²	92	43%	0.434	47%	0.472	S	S	.	.			trans	-76.5	2.4	-163.5	57.4	0	0	0	0	117.2	P725	P725-S728 PolarHBondContact O-N 3.32Å; P725-S728 PolarHBondContact O-OG 3.05Å
729	S	38.6	Very low	57	Low	37 Å²	37	100.5 Å²	100.5	26%	0.259	50%	0.496	S	S	.	.	S	Bend	trans	-87.9	123.3	166.1	-72.9	0	0	0	0	108.8	Y727 I731	Y727-S729 VanDerWaalsContact C-N 3.28Å; Y727-S729 PolarHBondContact O-N 3.17Å; Y727-S729 VanDerWaalsContact O-N 3.11Å; S729-I731 PolarHBondContact O-N 3.41Å
730	P	35.3	Very low	56.3	Low	130 Å²	130	103 Å²	103	84%	0.844	51%	0.511	S	S	*	.			trans	-72.8	56.2	170.4	33.9	-34	0	0	0	109.2	R732	P730-R732 PolarHBondContact O-N 2.93Å
731	I	39.8	Very low	56	Low	81 Å²	81	101.2 Å²	101.2	42%	0.415	50%	0.5	S	S	.	.			trans	-74.9	103.5	162.8	-66.6	163.9	0	0	0	103.6	S729 L733 Q735	S729-I731 PolarHBondContact O-N 3.41Å; I731-L733 PolarHBondContact O-N 2.88Å; I731-Q735 HydrophobicContact CG2-CB 3.7Å; I731-Q735 HydrophobicContact CG2-CG 4.43Å
732	R	36.6	Very low	55.8	Low	205 Å²	205	100.6 Å²	100.6	77%	0.774	50%	0.498	S	S	*	.			trans	-24.6	124.9	173.8	-62.1	-177.3	176.9	-170.4	-1.5	110.4	P730 N734 Q735	P730-R732 PolarHBondContact O-N 2.93Å; R732-N734 PolarHBondContact O-N 2.74Å; R732-Q735 PolarHBondContact O-N 3.09Å
733	L	42.9	Very low	55.4	Low	155 Å²	155	98.8 Å²	98.8	81%	0.812	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-40.8	-26.1	179.7	-90.9	114	0	0	0	114.3	I731 Q735	I731-L733 PolarHBondContact O-N 2.88Å; L733-Q735 VanDerWaalsContact C-N 3.26Å; L733-Q735 PolarHBondContact O-N 3.23Å
734	N	39.9	Very low	55.2	Low	139 Å²	139	93.2 Å²	93.2	74%	0.743	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.4	177.6	-62.6	0.6	0	0	0	116	R732	R732-N734 PolarHBondContact O-N 2.74Å
735	Q	40.8	Very low	55.2	Low	120 Å²	120	93.2 Å²	93.2	56%	0.561	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-104.5	-0.4	-178.8	-70.2	-175.3	0.6	0	0	115.1	I731 R732 L733 H737 T738	I731-Q735 HydrophobicContact CG2-CB 3.7Å; I731-Q735 HydrophobicContact CG2-CG 4.43Å; R732-Q735 PolarHBondContact O-N 3.09Å; L733-Q735 VanDerWaalsContact C-N 3.26Å; L733-Q735 PolarHBondContact O-N 3.23Å; Q735-H737 PolarHBondContact O-N 2.87Å; Q735-T738 PolarHBondContact O-N 2.76Å; Q735-T738 PolarHBondContact O-OG1 3.13Å; Q735-T738 VanDerWaalsContact O-OG1 3.09Å
736	W	41.7	Very low	55.8	Low	69 Å²	69	93.2 Å²	93.2	26%	0.261	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.2	178.1	-78	68.4	0	0	0	114.4	Y727 T738 T763	Y727-W736 AromaticContact CD1-CH2 3.22Å; Y727-W736 HydrophobicContact CD1-CH2 3.22Å; Y727-W736 AromaticContact CD1-CZ2 3.64Å; Y727-W736 HydrophobicContact CD1-CZ2 3.64Å; Y727-W736 HydrophobicContact CD1-CZ3 4.12Å; Y727-W736 AromaticContact CE1-CH2 3.37Å; Y727-W736 HydrophobicContact CE1-CH2 3.37Å; Y727-W736 HydrophobicContact CE1-CZ2 4.14Å; Y727-W736 AromaticContact CE1-CZ3 3.79Å; Y727-W736 HydrophobicContact CE1-CZ3 3.79Å; Y727-W736 HydrophobicContact CG-CH2 4.15Å; W736-T738 PolarHBondContact O-N 3.32Å; W736-T763 HydrophobicContact CB-CG2 4.49Å; W736-T763 HydrophobicContact CE3-CG2 4.25Å; W736-T763 PolarHBondContact O-OG1 3.33Å
737	H	44	Very low	56.6	Low	143 Å²	143	99.2 Å²	99.2	66%	0.662	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.8	172.6	-65.3	-56.1	0	0	0	113.9	Q735	Q735-H737 PolarHBondContact O-N 2.87Å
738	T	49.4	Very low	57.4	Low	99 Å²	99	100 Å²	100	61%	0.607	49%	0.49	S	S	*	.	S	Bend	trans	-89.9	132.1	175.4	54.9	0	0	0	0	111	Q735 W736 V740	Q735-T738 PolarHBondContact O-N 2.76Å; Q735-T738 PolarHBondContact O-OG1 3.13Å; Q735-T738 VanDerWaalsContact O-OG1 3.09Å; W736-T738 PolarHBondContact O-N 3.32Å; T738-V740 WeakPolarHBondContact O-CG2 3.45Å; T738-V740 PolarHBondContact O-N 2.89Å
739	R	54.1	Low	59.2	Low	209 Å²	209	100.9 Å²	100.9	79%	0.789	49%	0.494	S	S	*	.			trans	-55.5	98.2	179.5	-61.1	-177.2	-178.2	-178.2	-0.1	111.1	A741 F762	R739-A741 PolarHBondContact O-N 2.95Å; R739-F762 HydrophobicContact CG-CE2 4.05Å
740	V	61.8	Low	61.1	Low	53 Å²	53	99.5 Å²	99.5	32%	0.321	48%	0.484	S	S	.	.			trans	-85	96.2	172.7	-172.5	0	0	0	0	108.5	T738 Y742	T738-V740 WeakPolarHBondContact O-CG2 3.45Å; T738-V740 PolarHBondContact O-N 2.89Å; V740-Y742 VanDerWaalsContact C-N 3.3Å; V740-Y742 WeakPolarHBondContact CG1-O 3.48Å
741	A	73	Confident	63.1	Low	38 Å²	38	96.1 Å²	96.1	31%	0.314	46%	0.462	S	S	.	.			trans	-84.7	-3.4	178.8	0	0	0	0	0	114.2	R739 P749 L750 N759	R739-A741 PolarHBondContact O-N 2.95Å; A741-P749 WeakPolarHBondContact O-CA 3.25Å; A741-L750 PolarHBondContact O-N 3.05Å; A741-N759 WeakPolarHBondContact CA-ND2 3.32Å; A741-N759 WeakPolarHBondContact CB-ND2 3.16Å
742	Y	78.4	Confident	64.8	Low	119 Å²	119	98.1 Å²	98.1	47%	0.467	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-141.5	147.1	-169.4	45.1	-95.8	0	0	0	110.4	V740 K747 R748	V740-Y742 VanDerWaalsContact C-N 3.3Å; V740-Y742 WeakPolarHBondContact CG1-O 3.48Å; Y742-K747 HydrophobicContact CD2-CD 4.25Å; Y742-R748 CarbonylContact C-O 3.56Å; Y742-R748 VanDerWaalsContact CA-O 3.26Å; Y742-R748 WeakPolarHBondContact CA-O 3.45Å
743	C	77.2	Confident	66.4	Low	1 Å²	1	89.8 Å²	89.8	1%	0.007	44%	0.442	C	S	.	.			trans	-56.4	129.9	174.9	177	0	0	0	0	110.3	C719 C722 E745 C746 K747 R748 L750	C719-C743 HydrophobicContact CB-CB 4.15Å; C722-C743 VanDerWaalsContact SG-SG 3.63Å; C743-E745 PolarHBondContact O-N 3.26Å; C743-C746 VanDerWaalsContact CB-SG 3.51Å; C743-C746 VanDerWaalsContact SG-SG 3.68Å; C743-K747 WeakPolarHBondContact O-CA 3.29Å; C743-K747 PolarHBondContact O-N 3.06Å; C743-R748 PolarHBondContact N-O 2.86Å; C743-L750 HydrophobicContact CB-CD2 4.11Å
744	P	74.7	Confident	67.7	Low	27 Å²	27	87.4 Å²	87.4	18%	0.175	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32	179.6	22.9	-31.8	0	0	0	112.4	K747	P744-K747 WeakPolarHBondContact O-CE 2.98Å; P744-K747 PolarHBondContact O-NZ 3.2Å
745	E	80	Confident	69	Low	96 Å²	96	88.7 Å²	88.7	45%	0.449	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-56.2	-178.4	-63.1	-59.9	151.5	0	0	112.8	Q724 C743	Q724-E745 HydrophobicContact CB-CB 4.43Å; Q724-E745 HydrophobicContact CB-CG 4.06Å; Q724-E745 HydrophobicContact CG-CG 4.37Å; C743-E745 PolarHBondContact O-N 3.26Å
746	C	86.3	Confident	70.7	Confident	41 Å²	41	86 Å²	86	28%	0.277	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-1.3	-173.1	72.8	0	0	0	0	115	C722 C743 R748	C722-C746 HydrophobicContact CB-CB 3.88Å; C722-C746 VanDerWaalsContact SG-SG 3.63Å; C743-C746 VanDerWaalsContact CB-SG 3.51Å; C743-C746 VanDerWaalsContact SG-SG 3.68Å; C746-R748 PolarHBondContact O-N 3.05Å
747	K	84.5	Confident	72.4	Confident	140 Å²	140	86.3 Å²	86.3	61%	0.609	46%	0.458	S	S	*	.			trans	57.5	9.6	-178.8	-51.1	-55.5	-173.3	-161.1	0	115.9	Y742 C743 P744	Y742-K747 HydrophobicContact CD2-CD 4.25Å; C743-K747 WeakPolarHBondContact O-CA 3.29Å; C743-K747 PolarHBondContact O-N 3.06Å; P744-K747 WeakPolarHBondContact O-CE 2.98Å; P744-K747 PolarHBondContact O-NZ 3.2Å
748	R	83	Confident	73.7	Confident	136 Å²	136	83 Å²	83	51%	0.513	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-79.6	149.7	174.4	-68.2	-174	-177.7	-160.7	4.1	111.6	Y721 Y742 C743 C746	Y721-R748 VanDerWaalsContact CD1-NH1 3.25Å; Y721-R748 HydrophobicContact CD2-CB 3.73Å; Y721-R748 HydrophobicContact CE2-CB 4.17Å; Y721-R748 HydrophobicContact CG-CB 4.12Å; Y721-R748 VanDerWaalsContact CG-CD 3.44Å; Y721-R748 HydrophobicContact CG-CG 4.44Å; Y742-R748 CarbonylContact C-O 3.56Å; Y742-R748 VanDerWaalsContact CA-O 3.26Å; Y742-R748 WeakPolarHBondContact CA-O 3.45Å; C743-R748 PolarHBondContact N-O 2.86Å; C746-R748 PolarHBondContact O-N 3.05Å
749	P	80.6	Confident	74.7	Confident	81 Å²	81	79.9 Å²	79.9	53%	0.526	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-59.9	141.3	-178.7	24.8	-34.2	0	0	0	111.9	Y721 A741	Y721-P749 WeakPolarHBondContact CE2-O 3.27Å; A741-P749 WeakPolarHBondContact O-CA 3.25Å
750	L	79	Confident	75.3	Confident	8 Å²	8	72.1 Å²	72.1	4%	0.042	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-82.2	152.4	173.1	-67.6	173.6	0	0	0	110.4	C719 I726 A741 C743 N759 V760	C719-L750 HydrophobicContact CB-CD2 4.44Å; I726-L750 HydrophobicContact CD1-CD1 4.21Å; I726-L750 HydrophobicContact CD1-CD2 3.57Å; I726-L750 HydrophobicContact CG1-CD2 4.09Å; I726-L750 HydrophobicContact CG2-CD1 4.14Å; A741-L750 PolarHBondContact O-N 3.05Å; C743-L750 HydrophobicContact CB-CD2 4.11Å; L750-N759 HydrophobicContact CB-CB 4.35Å; L750-N759 PolarHBondContact O-OD1 2.94Å; L750-V760 VanDerWaalsContact CD1-O 3.25Å; L750-V760 WeakPolarHBondContact CD1-O 3.36Å
751	P	76.9	Confident	75.2	Confident	58 Å²	58	70.9 Å²	70.9	38%	0.377	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-57.5	146.2	178.1	-20.7	30.9	0	0	0	112	N759 V760	P751-N759 CarbonylContact O-C 3.51Å; P751-N759 WeakPolarHBondContact O-CA 3.43Å; P751-V760 HydrophobicContact CB-CG2 4.2Å; P751-V760 WeakPolarHBondContact O-CG2 3.21Å; P751-V760 PolarHBondContact O-N 2.7Å
752	Q	76.6	Confident	74.5	Confident	124 Å²	124	72.3 Å²	72.3	58%	0.579	40%	0.397	S	S	*	.	B	Isolated β-bridge	trans	-98.3	141.9	173.3	-73.8	179	2.1	0	0	111	A754 S757 L758 N759	Q752-A754 PolarHBondContact O-N 2.99Å; Q752-S757 WeakPolarHBondContact CG-O 3.39Å; Q752-L758 WeakPolarHBondContact CA-O 3.13Å; Q752-N759 WeakPolarHBondContact CG-OD1 3.19Å; Q752-N759 PolarHBondContact NE2-OD1 2.93Å
753	C	69.6	Low	73.2	Confident	29 Å²	29	69.1 Å²	69.1	20%	0.196	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-64	127.8	167.9	177.6	0	0	0	0	109.7	L755 C756 S757 L758	C753-L755 PolarHBondContact O-N 3.24Å; C753-L755 VanDerWaalsContact O-N 3.14Å; C753-L755 PolarHBondContact SG-N 2.89Å; C753-L755 VanDerWaalsContact SG-N 3.44Å; C753-C756 WeakPolarHBondContact CB-SG 3.23Å; C753-C756 VanDerWaalsContact SG-SG 3.7Å; C753-S757 WeakPolarHBondContact O-CA 3.47Å; C753-S757 PolarHBondContact O-N 3.29Å; C753-L758 PolarHBondContact N-O 2.79Å
754	A	71.2	Confident	71.9	Confident	106 Å²	106	71.8 Å²	71.8	88%	0.876	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.1	178.9	0	0	0	0	0	114.1	Q752	Q752-A754 PolarHBondContact O-N 2.99Å
755	L	65.9	Low	70.5	Confident	166 Å²	166	75.7 Å²	75.7	87%	0.869	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-43.5	-179.7	-63.8	172.5	0	0	0	112.7	C753	C753-L755 PolarHBondContact O-N 3.24Å; C753-L755 VanDerWaalsContact O-N 3.14Å; C753-L755 PolarHBondContact SG-N 2.89Å; C753-L755 VanDerWaalsContact SG-N 3.44Å
756	C	77.4	Confident	68.5	Low	62 Å²	62	74.8 Å²	74.8	42%	0.419	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-4.9	-174.8	68.8	0	0	0	0	114.8	C753 L758	C753-C756 WeakPolarHBondContact CB-SG 3.23Å; C753-C756 VanDerWaalsContact SG-SG 3.7Å; C756-L758 HydrophobicContact CB-CD1 4.4Å; C756-L758 HydrophobicContact CB-CG 4.35Å; C756-L758 PolarHBondContact O-N 2.76Å
757	S	76.2	Confident	66.4	Low	77 Å²	77	83.2 Å²	83.2	54%	0.538	47%	0.47	S	S	.	.			trans	58.1	11.5	-176.4	-53	0	0	0	0	115.4	Q752 C753	Q752-S757 WeakPolarHBondContact CG-O 3.39Å; C753-S757 WeakPolarHBondContact O-CA 3.47Å; C753-S757 PolarHBondContact O-N 3.29Å
758	L	72.6	Confident	64	Low	74 Å²	74	83.8 Å²	83.8	39%	0.387	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-77.3	140.9	174.2	-63.4	172.2	0	0	0	110.2	Q752 C753 C756 F762	Q752-L758 WeakPolarHBondContact CA-O 3.13Å; C753-L758 PolarHBondContact N-O 2.79Å; C756-L758 HydrophobicContact CB-CD1 4.4Å; C756-L758 HydrophobicContact CB-CG 4.35Å; C756-L758 PolarHBondContact O-N 2.76Å; L758-F762 HydrophobicContact CB-CB 4.37Å; L758-F762 HydrophobicContact CB-CG 4.43Å; L758-F762 HydrophobicContact CD1-CD1 3.74Å; L758-F762 HydrophobicContact CD1-CE1 3.9Å; L758-F762 HydrophobicContact CD1-CG 4.45Å; L758-F762 HydrophobicContact CD2-CD1 4.03Å; L758-F762 HydrophobicContact CD2-CD2 4.2Å; L758-F762 HydrophobicContact CD2-CE1 3.95Å; L758-F762 HydrophobicContact CD2-CE2 4.12Å; L758-F762 HydrophobicContact CD2-CG 4.15Å; L758-F762 HydrophobicContact CD2-CZ 4Å; L758-F762 HydrophobicContact CG-CD1 4.32Å
759	N	70.7	Confident	61.7	Low	32 Å²	32	81.6 Å²	81.6	17%	0.171	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-69.6	142.1	174.5	-62.5	-39.5	0	0	0	110.5	A741 L750 P751 Q752 G761 F762	A741-N759 WeakPolarHBondContact CA-ND2 3.32Å; A741-N759 WeakPolarHBondContact CB-ND2 3.16Å; L750-N759 HydrophobicContact CB-CB 4.35Å; L750-N759 PolarHBondContact O-OD1 2.94Å; P751-N759 CarbonylContact O-C 3.51Å; P751-N759 WeakPolarHBondContact O-CA 3.43Å; Q752-N759 WeakPolarHBondContact CG-OD1 3.19Å; Q752-N759 PolarHBondContact NE2-OD1 2.93Å; N759-G761 PolarHBondContact O-N 3.36Å; N759-F762 VanDerWaalsContact O-CB 3.22Å; N759-F762 WeakPolarHBondContact O-CB 3.43Å; N759-F762 PolarHBondContact O-N 3.42Å; N759-F762 VanDerWaalsContact O-N 3.07Å
760	V	66	Low	59.5	Low	47 Å²	47	81.9 Å²	81.9	29%	0.285	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.3	170.2	170.3	0	0	0	0	109.9	L717 I726 L750 P751	L717-V760 HydrophobicContact CD1-CG1 4.42Å; L717-V760 HydrophobicContact CD2-CG1 3.54Å; L717-V760 HydrophobicContact CG-CG1 4.46Å; I726-V760 HydrophobicContact CD1-CG1 4.24Å; L750-V760 VanDerWaalsContact CD1-O 3.25Å; L750-V760 WeakPolarHBondContact CD1-O 3.36Å; P751-V760 HydrophobicContact CB-CG2 4.2Å; P751-V760 WeakPolarHBondContact O-CG2 3.21Å; P751-V760 PolarHBondContact O-N 2.7Å
761	G	60.3	Low	57.5	Low	27 Å²	27	87.6 Å²	87.6	28%	0.278	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-2.1	-174	0	0	0	0	0	115.1	N759 T763	N759-G761 PolarHBondContact O-N 3.36Å; G761-T763 PolarHBondContact O-N 3.37Å
762	F	58.3	Low	55.3	Low	67 Å²	67	90.3 Å²	90.3	29%	0.294	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-66.5	120.2	172.1	-176.2	-91.9	0	0	0	111.2	R739 L758 N759 P764	R739-F762 HydrophobicContact CG-CE2 4.05Å; L758-F762 HydrophobicContact CB-CB 4.37Å; L758-F762 HydrophobicContact CB-CG 4.43Å; L758-F762 HydrophobicContact CD1-CD1 3.74Å; L758-F762 HydrophobicContact CD1-CE1 3.9Å; L758-F762 HydrophobicContact CD1-CG 4.45Å; L758-F762 HydrophobicContact CD2-CD1 4.03Å; L758-F762 HydrophobicContact CD2-CD2 4.2Å; L758-F762 HydrophobicContact CD2-CE1 3.95Å; L758-F762 HydrophobicContact CD2-CE2 4.12Å; L758-F762 HydrophobicContact CD2-CG 4.15Å; L758-F762 HydrophobicContact CD2-CZ 4Å; L758-F762 HydrophobicContact CG-CD1 4.32Å; N759-F762 VanDerWaalsContact O-CB 3.22Å; N759-F762 WeakPolarHBondContact O-CB 3.43Å; N759-F762 PolarHBondContact O-N 3.42Å; N759-F762 VanDerWaalsContact O-N 3.07Å; F762-P764 HydrophobicContact CE1-CB 4Å
763	T	51.4	Low	53.4	Low	52 Å²	52	91.7 Å²	91.7	32%	0.319	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-93.2	118.1	165.7	64.9	0	0	0	0	108.7	W736 G761 S765	W736-T763 HydrophobicContact CB-CG2 4.49Å; W736-T763 HydrophobicContact CE3-CG2 4.25Å; W736-T763 PolarHBondContact O-OG1 3.33Å; G761-T763 PolarHBondContact O-N 3.37Å; T763-S765 PolarHBondContact O-N 3.22Å
764	P	48.5	Very low	51.5	Low	57 Å²	57	100.8 Å²	100.8	37%	0.37	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-64.2	131.2	172.2	21.8	-26.7	0	0	0	109	F762 C766	F762-P764 HydrophobicContact CE1-CB 4Å; P764-C766 PolarHBondContact O-N 3.31Å
765	S	46.6	Very low	50.5	Low	110 Å²	110	100.5 Å²	100.5	77%	0.769	58%	0.584	S	S	*	*	S	Bend	trans	-66	-1	169.8	52	0	0	0	0	113.1	T763	T763-S765 PolarHBondContact O-N 3.22Å
766	C	37.7	Very low	49.7	Very low	76 Å²	76	97.1 Å²	97.1	51%	0.514	57%	0.569	S	S	.	*	S	Bend	trans	-88	122	-178.5	-150.9	0	0	0	0	110.1	P764 Q768	P764-C766 PolarHBondContact O-N 3.31Å; C766-Q768 PolarHBondContact O-N 3.4Å
767	K	42.3	Very low	48.1	Very low	218 Å²	218	99 Å²	99	95%	0.948	58%	0.577	S	S	*	*			trans	-61.4	11.9	173.2	-77.5	-175.7	172.9	-178.5	0	114.5
768	Q	32.6	Very low	46.5	Very low	152 Å²	152	100.3 Å²	100.3	71%	0.71	58%	0.58	S	S	*	*	S	Bend	trans	-104.7	86	179.5	-75.4	179.1	-18.8	0	0	110.4	C766 S770	C766-Q768 PolarHBondContact O-N 3.4Å; Q768-S770 VanDerWaalsContact C-N 3.26Å; Q768-S770 PolarHBondContact O-N 3.28Å; Q768-S770 PolarHBondContact O-OG 3.38Å
769	G	35.9	Very low	44.9	Very low	90 Å²	90	101.9 Å²	101.9	93%	0.928	59%	0.592	S	S	*	*				55.9	-3.7	126	0	0	0	0	0	122.9
770	S	33.1	Very low	43.1	Very low	88 Å²	88	106.6 Å²	106.6	62%	0.615	62%	0.62	S	S	*	*			trans	-118.6	81.1	-177.6	53.5	0	0	0	0	111.2	Q768 C772	Q768-S770 VanDerWaalsContact C-N 3.26Å; Q768-S770 PolarHBondContact O-N 3.28Å; Q768-S770 PolarHBondContact O-OG 3.38Å; S770-C772 PolarHBondContact O-N 3.33Å
771	L	38.3	Very low	41.5	Very low	128 Å²	128	110.9 Å²	110.9	67%	0.67	64%	0.644	S	S	*	*			trans	-74.2	103.5	157	-83.6	150.9	0	0	0	107	F773	L771-F773 HydrophobicContact CB-CD2 3.83Å; L771-F773 HydrophobicContact CB-CE2 3.86Å; L771-F773 HydrophobicContact CD1-CE2 4.16Å; L771-F773 HydrophobicContact CD2-CE2 3.87Å; L771-F773 HydrophobicContact CD2-CZ 4.4Å; L771-F773 HydrophobicContact CG-CE2 4.17Å; L771-F773 PolarHBondContact O-N 3.39Å
772	C	31.1	Very low	40.1	Very low	115 Å²	115	117.3 Å²	117.3	78%	0.777	67%	0.672	S	S	*	*			trans	-67.1	90.2	161.6	-81.8	0	0	0	0	107.9	S770	S770-C772 PolarHBondContact O-N 3.33Å
773	F	34.9	Very low	38.5	Very low	153 Å²	153	121.5 Å²	121.5	67%	0.671	70%	0.703	S	S	*	*			trans	-85.3	119.8	155.6	-79.4	-80.4	0	0	0	107.4	L771	L771-F773 HydrophobicContact CB-CD2 3.83Å; L771-F773 HydrophobicContact CB-CE2 3.86Å; L771-F773 HydrophobicContact CD1-CE2 4.16Å; L771-F773 HydrophobicContact CD2-CE2 3.87Å; L771-F773 HydrophobicContact CD2-CZ 4.4Å; L771-F773 HydrophobicContact CG-CE2 4.17Å; L771-F773 PolarHBondContact O-N 3.39Å
774	L	30	Very low	37.4	Very low	219 Å²	219	127.8 Å²	127.8	100%	1.147	74%	0.738	S	S	*	*			trans	-87.2	0	159.2	-100.4	162.2	0	0	0	108.2

Retrieved 774 of 774 residues in 165.1 ms (Link to these results)

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