A0A068FJJ5_ARATH Loading...

Cellulose synthase

AlphaFold DB (Q94JQ6), UniProt , Accession A0A068FJJ5, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 1,084 aa.

						>A0A068FJJ5_ARATH|A0A068FJJ5
MNTGGRLIAGSHNRNEFVLINADENARIRSVQELSGQTCQICRDEIELTVDGEPFVACNECAFPVCRPCYEYERREGNQACPQCKTRFKRLKGSPRVEGDEEEDDIDDLDNEFEYGNNGIGFDQVSEGMSISRRNSGFPQSDLDSAPPGSQIPLLTYGDEDVEISSDRHALIVPPSLGGHGNRVHPVSLSDPTVAAHPRPMVPQKDLAVYGYGSVAWKDRMEEWKRKQNEKLQVVRHEGDPDFEDGDDADFPMMDEGRQPLSRKIPIKSSKINPYRMLIVLRLVILGLFFHYRILHPVKDAYALWLISVICEIWFAVSWVLDQFPKWYPIERETYLDRLSLRYEKEGKPSGLSPVDVFVSTVDPLKEPPLITANTVLSILAVDYPVDKVACYVSDDGAAMLTFEALSETAEFARKWVPFCKKYCIEPRAPEWYFCHKMDYLKNKVHPAFVRERRAMKRDYEEFKVKINALVATAQKVPEDGWTMQDGTPWPGNSVRDHPGMIQVFLGSDGVRDVENNELPRLVYVSREKRPGFDHHKKAGAMNSLIRVSGVLSNAPYLLNVDCDHYINNSKALREAMCFMMDPQSGKKICYVQFPQRFDGIDRHDRYSNRNVVFFDINMKGLDGLQGPIYVGTGCVFRRQALYGFDAPKKKKGPRKTCNCWPKWCLLCFGSRKNRKAKTVAADKKKKNREASKQIHALENIEEGRVTKGSNVEQSTEAMQMKLEKKFGQSPVFVASARMENGGMARNASPACLLKEAIQVISCGYEDKTEWGKEIGWIYGSVTEDILTGFKMHSHGWRSVYCTPKLAAFKGSAPINLSDRLHQVLRWALGSVEIFLSRHCPIWYGYGGGLKWLERLSYINSVVYPWTSLPLIVYCSLPAICLLTGKFIVPEISNYASILFMALFSSIAITGILEMQWGKVGIDDWWRNEQFWVIGGVSAHLFALFQGLLKVLAGVDTNFTVTSKAADDGEFSDLYLFKWTSLLIPPMTLLIINVIGVIVGVSDAISNGYDSWGPLFGRLFFALWVIIHLYPFLKGLLGKQDRMPTIIVVWSILLASILTLLWVRVNPFVAKGGPILEICGLDCL
					

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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	45.9	Very low	60.9	Low	25 Å²	25	25.5 Å²	25.5	12%	0.123	15%	0.146	C	C	.	.				0	103.7	0	-75.1	166.8	170.2	0	0	109.2	T3 D509 L552 M744 P750 L753	M1-T3 PolarHBondContact O-N 3.47Å; M1-D509 VanDerWaalsContact CA-OD2 3.31Å; M1-D509 WeakPolarHBondContact CA-OD2 3.47Å; M1-D509 PolarHBondContact N-OD1 3.37Å; M1-D509 PolarHBondContact N-OD2 2.84Å; M1-L552 HydrophobicContact CE-CB 4.48Å; M1-L552 HydrophobicContact CE-CD2 3.75Å; M1-L552 HydrophobicContact SD-CB 4.37Å; M1-L552 HydrophobicContact SD-CD2 3.74Å; M1-M744 HydrophobicContact CE-SD 4.26Å; M1-P750 HydrophobicContact CB-CB 4.2Å; M1-P750 HydrophobicContact CG-CB 4.24Å; M1-L753 HydrophobicContact CE-CB 3.64Å; M1-L753 HydrophobicContact CE-CD1 3.37Å; M1-L753 HydrophobicContact CE-CG 4.1Å
2	N	38.6	Very low	62	Low	101 Å²	101	28 Å²	28	54%	0.54	16%	0.155	S	C	.	.			trans	-88.4	106.7	177.2	-166.2	2.3	0	0	0	110	G4 D509	N2-G4 VanDerWaalsContact C-N 3.32Å; N2-G4 WeakPolarHBondContact OD1-CA 3.42Å; N2-G4 PolarHBondContact OD1-N 3.26Å; N2-D509 HydrophobicContact CB-CB 4.06Å; N2-D509 PolarHBondContact N-OD2 2.71Å
3	T	50.4	Low	62.6	Low	15 Å²	15	32.8 Å²	32.8	9%	0.092	18%	0.181	C	C	.	.			trans	-80.3	-15.3	164.4	44.2	0	0	0	0	111.7	M1 G5 R6 I8 V504 L754	M1-T3 PolarHBondContact O-N 3.47Å; T3-G5 PolarHBondContact O-N 3.22Å; T3-G5 PolarHBondContact OG1-N 3.03Å; T3-R6 WeakPolarHBondContact O-CB 3.37Å; T3-R6 WeakPolarHBondContact O-CD 3.42Å; T3-R6 WeakPolarHBondContact O-CG 3.49Å; T3-R6 PolarHBondContact O-N 3.16Å; T3-I8 HydrophobicContact CG2-CD1 4.41Å; T3-V504 HydrophobicContact CG2-CB 4.01Å; T3-V504 HydrophobicContact CG2-CG2 4.03Å; T3-V504 PolarHBondContact OG1-O 3.31Å; T3-L754 HydrophobicContact CG2-CD1 3.9Å; T3-L754 HydrophobicContact CG2-CD2 4.49Å
4	G	45	Very low	63.4	Low	29 Å²	29	40 Å²	40	30%	0.299	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	15.2	-162.5	0	0	0	0	0	112.9	N2 R6	N2-G4 VanDerWaalsContact C-N 3.32Å; N2-G4 WeakPolarHBondContact OD1-CA 3.42Å; N2-G4 PolarHBondContact OD1-N 3.26Å; G4-R6 PolarHBondContact O-N 3.14Å
5	G	51.7	Low	63.6	Low	11 Å²	11	45.9 Å²	45.9	11%	0.113	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	24.8	-165.5	0	0	0	0	0	113.3	T3 D23 Q503	T3-G5 PolarHBondContact O-N 3.22Å; T3-G5 PolarHBondContact OG1-N 3.03Å; G5-D23 WeakPolarHBondContact CA-OD2 3.45Å; G5-D23 WeakPolarHBondContact O-CB 3.31Å; G5-D23 PolarHBondContact O-N 2.95Å; G5-D23 VanDerWaalsContact O-OD2 3.07Å; G5-Q503 VanDerWaalsContact C-NE2 3.31Å; G5-Q503 PolarHBondContact O-NE2 3.08Å
6	R	59.4	Low	63.8	Low	73 Å²	73	48 Å²	48	28%	0.275	24%	0.244	S	C	.	.			trans	-93.4	121.2	178.4	-54.2	171.3	179.6	-140.9	9.8	110.4	T3 G4 I8 L19 I20 N21 E24 Q503	T3-R6 WeakPolarHBondContact O-CB 3.37Å; T3-R6 WeakPolarHBondContact O-CD 3.42Å; T3-R6 WeakPolarHBondContact O-CG 3.49Å; T3-R6 PolarHBondContact O-N 3.16Å; G4-R6 PolarHBondContact O-N 3.14Å; R6-I8 WeakPolarHBondContact O-CG1 3.32Å; R6-L19 HydrophobicContact CB-CD1 4.05Å; R6-L19 HydrophobicContact CB-CG 4.02Å; R6-I20 CarbonylContact C-O 3.59Å; R6-I20 VanDerWaalsContact C-O 3.32Å; R6-I20 WeakPolarHBondContact CA-O 3.38Å; R6-I20 VanDerWaalsContact CB-O 3.27Å; R6-I20 WeakPolarHBondContact CB-O 3.43Å; R6-N21 WeakPolarHBondContact CD-OD1 3.42Å; R6-N21 WeakPolarHBondContact CG-OD1 3.48Å; R6-N21 PolarHBondContact NE-OD1 3.25Å; R6-N21 PolarHBondContact NH1-OD1 3.07Å; R6-E24 IonicContact CZ-OE1 2.69Å; R6-E24 IonicContact CZ-OE2 2.72Å; R6-E24 VanDerWaalsContact CZ-OE2 3.26Å; R6-E24 IonicContact NE-OE1 2.76Å; R6-E24 PolarHBondContact NE-OE1 3.03Å; R6-E24 IonicContact NE-OE2 3.63Å; R6-E24 PolarHBondContact NE-OE2 3.42Å; R6-E24 IonicContact NH2-OE1 2.99Å; R6-E24 PolarHBondContact NH2-OE1 3.06Å; R6-E24 IonicContact NH2-OE2 3.29Å; R6-E24 PolarHBondContact NH2-OE2 3Å; R6-Q503 PolarHBondContact O-OE1 3.27Å
7	L	70.1	Confident	63.8	Low	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.5	172.6	172.8	68	0	0	0	109.7	I20 A22 F403 M484 W490 M501 Q503	L7-I20 HydrophobicContact CB-CB 4.27Å; L7-I20 HydrophobicContact CD2-CD1 4.42Å; L7-I20 PolarHBondContact N-O 3.01Å; L7-I20 PolarHBondContact O-N 2.88Å; L7-A22 HydrophobicContact CB-CB 3.92Å; L7-F403 HydrophobicContact CB-CZ 4.39Å; L7-F403 HydrophobicContact CD1-CE2 3.94Å; L7-F403 HydrophobicContact CD2-CE2 4.48Å; L7-F403 HydrophobicContact CD2-CZ 4.48Å; L7-M484 HydrophobicContact CB-CE 4.33Å; L7-M484 HydrophobicContact CD2-CE 3.7Å; L7-M484 HydrophobicContact CD2-SD 3.66Å; L7-W490 HydrophobicContact CD2-CE3 4.4Å; L7-W490 HydrophobicContact CD2-CH2 4.43Å; L7-W490 HydrophobicContact CD2-CZ3 3.71Å; L7-M501 HydrophobicContact CD1-CB 4.21Å; L7-Q503 HydrophobicContact CD1-CB 3.89Å
8	I	77.5	Confident	63.9	Low	19 Å²	19	50.8 Å²	50.8	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.7	179.5	-34.5	-163	0	0	0	109.1	T3 R6 L19 M501 I502 L754 I758	T3-I8 HydrophobicContact CG2-CD1 4.41Å; R6-I8 WeakPolarHBondContact O-CG1 3.32Å; I8-L19 HydrophobicContact CB-CD1 4.45Å; I8-L19 HydrophobicContact CD1-CD1 3.67Å; I8-L19 HydrophobicContact CG1-CD1 3.71Å; I8-L19 HydrophobicContact CG2-CD1 4.24Å; I8-M501 CarbonylContact O-C 3.36Å; I8-M501 WeakPolarHBondContact O-CA 3.36Å; I8-I502 PolarHBondContact N-O 3.31Å; I8-I502 PolarHBondContact O-N 2.99Å; I8-L754 HydrophobicContact CD1-CB 4Å; I8-L754 HydrophobicContact CD1-CD1 3.77Å; I8-L754 HydrophobicContact CD1-CD2 4.34Å; I8-L754 HydrophobicContact CD1-CG 4.24Å; I8-I758 HydrophobicContact CB-CD1 4.02Å; I8-I758 HydrophobicContact CG2-CD1 3.53Å
9	A	78.7	Confident	63.8	Low	4 Å²	4	53.1 Å²	53.1	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.7	178.1	0	0	0	0	0	110	V18 I20 P491 P499 G500 M501	A9-V18 PolarHBondContact N-O 2.74Å; A9-V18 PolarHBondContact O-N 3.21Å; A9-I20 HydrophobicContact CB-CD1 4.06Å; A9-P491 HydrophobicContact CB-CB 4.07Å; A9-P491 HydrophobicContact CB-CG 3.81Å; A9-P499 HydrophobicContact CB-CG 4.29Å; A9-G500 CarbonylContact C-O 3.38Å; A9-G500 WeakPolarHBondContact CA-O 3.41Å; A9-M501 HydrophobicContact CB-CG 4.13Å
10	G	78.7	Confident	63.6	Low	2 Å²	2	50.8 Å²	50.8	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	164.3	176.6	0	0	0	0	0	116.4	E16 P499 G500	G10-E16 CarbonylContact C-O 3.57Å; G10-E16 WeakPolarHBondContact CA-O 3.41Å; G10-P499 WeakPolarHBondContact O-CB 3.36Å; G10-G500 PolarHBondContact N-O 3.25Å; G10-G500 PolarHBondContact O-N 2.86Å
11	S	74.5	Confident	63.1	Low	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.9	173.4	178.9	0	0	0	0	109.3	N13 R14 N15 E16 E528 R530	S11-N13 PolarHBondContact O-N 3.21Å; S11-N13 PolarHBondContact OG-N 3.35Å; S11-R14 PolarHBondContact O-N 3.15Å; S11-R14 PolarHBondContact OG-N 3.46Å; S11-N15 PolarHBondContact O-N 3.24Å; S11-E16 PolarHBondContact N-O 2.91Å; S11-E16 PolarHBondContact O-N 2.83Å; S11-E16 VanDerWaalsContact O-N 3.13Å; S11-E528 WeakPolarHBondContact CB-OE1 3.46Å; S11-E528 PolarHBondContact OG-OE1 2.94Å; S11-R530 VanDerWaalsContact CB-NH2 3.29Å; S11-R530 PolarHBondContact OG-NH2 2.94Å
12	H	73.1	Confident	63.4	Low	56 Å²	56	50 Å²	50	26%	0.259	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.3	-37.4	173	178.1	-89.6	0	0	0	111.4	R14 N15 Q759	H12-R14 VanDerWaalsContact C-N 3.27Å; H12-R14 PolarHBondContact O-N 2.87Å; H12-N15 PolarHBondContact O-N 3.47Å; H12-Q759 HydrophobicContact CB-CB 4.47Å; H12-Q759 HydrophobicContact CB-CG 4.43Å; H12-Q759 VanDerWaalsContact CD2-CG 3.46Å; H12-Q759 WeakPolarHBondContact CD2-CG 3.47Å; H12-Q759 PolarHBondContact NE2-NE2 2.96Å
13	N	70.6	Confident	63.8	Low	91 Å²	91	46.7 Å²	46.7	49%	0.487	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-69.4	-21.1	-178.4	-70.3	-11.3	0	0	0	113.9	S11	S11-N13 PolarHBondContact O-N 3.21Å; S11-N13 PolarHBondContact OG-N 3.35Å
14	R	73.3	Confident	63.1	Low	133 Å²	133	49.1 Å²	49.1	50%	0.502	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-106.1	-2.3	174.8	-60.5	-174.7	179.7	-177.7	1.2	113.7	S11 H12 E16	S11-R14 PolarHBondContact O-N 3.15Å; S11-R14 PolarHBondContact OG-N 3.46Å; H12-R14 VanDerWaalsContact C-N 3.27Å; H12-R14 PolarHBondContact O-N 2.87Å; R14-E16 HydrophobicContact CB-CB 4.27Å; R14-E16 HydrophobicContact CB-CG 3.7Å; R14-E16 WeakPolarHBondContact CD-OE1 3.21Å; R14-E16 VanDerWaalsContact CD-OE2 3.23Å; R14-E16 WeakPolarHBondContact CD-OE2 3.46Å; R14-E16 IonicContact NH1-OE1 3.18Å; R14-E16 PolarHBondContact NH1-OE1 2.71Å; R14-E16 IonicContact NH1-OE2 3.52Å; R14-E16 PolarHBondContact O-N 2.89Å
15	N	67	Low	62.6	Low	128 Å²	128	51.3 Å²	51.3	68%	0.684	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	20.1	-165.1	-75.1	-53.2	0	0	0	114.5	S11 H12	S11-N15 PolarHBondContact O-N 3.24Å; H12-N15 PolarHBondContact O-N 3.47Å
16	E	67	Low	61.7	Low	80 Å²	80	54.2 Å²	54.2	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.1	176.5	-71.1	166.4	-178.6	0	0	109.5	G10 S11 R14	G10-E16 CarbonylContact C-O 3.57Å; G10-E16 WeakPolarHBondContact CA-O 3.41Å; S11-E16 PolarHBondContact N-O 2.91Å; S11-E16 PolarHBondContact O-N 2.83Å; S11-E16 VanDerWaalsContact O-N 3.13Å; R14-E16 HydrophobicContact CB-CB 4.27Å; R14-E16 HydrophobicContact CB-CG 3.7Å; R14-E16 WeakPolarHBondContact CD-OE1 3.21Å; R14-E16 VanDerWaalsContact CD-OE2 3.23Å; R14-E16 WeakPolarHBondContact CD-OE2 3.46Å; R14-E16 IonicContact NH1-OE1 3.18Å; R14-E16 PolarHBondContact NH1-OE1 2.71Å; R14-E16 IonicContact NH1-OE2 3.52Å; R14-E16 PolarHBondContact O-N 2.89Å
17	F	63.3	Low	60.3	Low	67 Å²	67	60.4 Å²	60.4	29%	0.294	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	114.9	171	-67.4	-89.6	0	0	0	108.6	K755 I758	F17-K755 HydrophobicContact CD1-CG 4.05Å; F17-K755 HydrophobicContact CE1-CD 4.45Å; F17-K755 HydrophobicContact CE1-CG 3.55Å; F17-K755 VanDerWaalsContact CE2-CE 3.48Å; F17-K755 HydrophobicContact CE2-CG 4.48Å; F17-K755 HydrophobicContact CZ-CD 4.35Å; F17-K755 HydrophobicContact CZ-CG 3.79Å; F17-I758 HydrophobicContact CD1-CD1 4.23Å; F17-I758 HydrophobicContact CD1-CG2 4.22Å; F17-I758 HydrophobicContact CE1-CB 4.04Å; F17-I758 HydrophobicContact CE1-CG2 3.69Å
18	V	65.6	Low	58.2	Low	80 Å²	80	65.3 Å²	65.3	49%	0.485	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.4	-177.9	-170.8	0	0	0	0	108.9	A9 I20	A9-V18 PolarHBondContact N-O 2.74Å; A9-V18 PolarHBondContact O-N 3.21Å; V18-I20 HydrophobicContact CB-CG1 4.42Å; V18-I20 HydrophobicContact CG1-CD1 4.33Å; V18-I20 HydrophobicContact CG1-CG1 3.74Å
19	L	61.9	Low	55.9	Low	94 Å²	94	74 Å²	74	49%	0.492	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.7	171.8	-166.7	76.3	0	0	0	107.6	R6 I8	R6-L19 HydrophobicContact CB-CD1 4.05Å; R6-L19 HydrophobicContact CB-CG 4.02Å; I8-L19 HydrophobicContact CB-CD1 4.45Å; I8-L19 HydrophobicContact CD1-CD1 3.67Å; I8-L19 HydrophobicContact CG1-CD1 3.71Å; I8-L19 HydrophobicContact CG2-CD1 4.24Å
20	I	59.4	Low	53.5	Low	7 Å²	7	76.7 Å²	76.7	4%	0.036	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.3	-171.5	-56.7	175.5	0	0	0	108.8	R6 L7 A9 V18 A22 M484 D486 T488 P491	R6-I20 CarbonylContact C-O 3.59Å; R6-I20 VanDerWaalsContact C-O 3.32Å; R6-I20 WeakPolarHBondContact CA-O 3.38Å; R6-I20 VanDerWaalsContact CB-O 3.27Å; R6-I20 WeakPolarHBondContact CB-O 3.43Å; L7-I20 HydrophobicContact CB-CB 4.27Å; L7-I20 HydrophobicContact CD2-CD1 4.42Å; L7-I20 PolarHBondContact N-O 3.01Å; L7-I20 PolarHBondContact O-N 2.88Å; A9-I20 HydrophobicContact CB-CD1 4.06Å; V18-I20 HydrophobicContact CB-CG1 4.42Å; V18-I20 HydrophobicContact CG1-CD1 4.33Å; V18-I20 HydrophobicContact CG1-CG1 3.74Å; I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 PolarHBondContact O-N 3.5Å; I20-M484 HydrophobicContact CG2-CE 3.63Å; I20-M484 HydrophobicContact CG2-SD 3.65Å; I20-D486 VanDerWaalsContact CG2-OD2 3.28Å; I20-D486 WeakPolarHBondContact CG2-OD2 3.34Å; I20-T488 HydrophobicContact CG2-CG2 4.26Å; I20-T488 WeakPolarHBondContact CG2-OG1 3.36Å; I20-P491 HydrophobicContact CD1-CG 3.5Å; I20-P491 VanDerWaalsContact CD1-CG 3.5Å
21	N	53.8	Low	51.2	Low	48 Å²	48	82.3 Å²	82.3	26%	0.257	41%	0.412	S	S	.	.			trans	-88.4	57.2	-162.2	-106.3	33	0	0	0	112.7	R6 D23 E24 D486	R6-N21 WeakPolarHBondContact CD-OD1 3.42Å; R6-N21 WeakPolarHBondContact CG-OD1 3.48Å; R6-N21 PolarHBondContact NE-OD1 3.25Å; R6-N21 PolarHBondContact NH1-OD1 3.07Å; N21-D23 PolarHBondContact O-N 2.65Å; N21-E24 PolarHBondContact ND2-OE2 3.2Å; N21-D486 WeakPolarHBondContact CA-OD2 3.48Å; N21-D486 HydrophobicContact CB-CB 4.17Å; N21-D486 PolarHBondContact N-OD2 3.23Å
22	A	52.1	Low	49.2	Very low	10 Å²	10	89.1 Å²	89.1	8%	0.083	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-46.7	-170.8	0	0	0	0	0	115.6	L7 I20 F403 M484	L7-A22 HydrophobicContact CB-CB 3.92Å; I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 PolarHBondContact O-N 3.5Å; A22-F403 HydrophobicContact CB-CE1 4.26Å; A22-F403 HydrophobicContact CB-CZ 3.87Å; A22-M484 HydrophobicContact CB-CE 3.7Å
23	D	46	Very low	47.4	Very low	32 Å²	32	92.8 Å²	92.8	17%	0.171	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-2.5	-173.7	-56.4	-35.5	0	0	0	115	G5 N21 N25 A26 Q503	G5-D23 WeakPolarHBondContact CA-OD2 3.45Å; G5-D23 WeakPolarHBondContact O-CB 3.31Å; G5-D23 PolarHBondContact O-N 2.95Å; G5-D23 VanDerWaalsContact O-OD2 3.07Å; N21-D23 PolarHBondContact O-N 2.65Å; D23-N25 VanDerWaalsContact C-N 3.27Å; D23-N25 PolarHBondContact O-N 2.99Å; D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 2.82Å; D23-Q503 PolarHBondContact OD2-NE2 2.94Å
24	E	37.5	Very low	45.6	Very low	66 Å²	66	93.1 Å²	93.1	31%	0.308	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-69.8	-24	-176.2	-85.3	-178.4	179.3	0	0	113.1	R6 N21 R27	R6-E24 IonicContact CZ-OE1 2.69Å; R6-E24 IonicContact CZ-OE2 2.72Å; R6-E24 VanDerWaalsContact CZ-OE2 3.26Å; R6-E24 IonicContact NE-OE1 2.76Å; R6-E24 PolarHBondContact NE-OE1 3.03Å; R6-E24 IonicContact NE-OE2 3.63Å; R6-E24 PolarHBondContact NE-OE2 3.42Å; R6-E24 IonicContact NH2-OE1 2.99Å; R6-E24 PolarHBondContact NH2-OE1 3.06Å; R6-E24 IonicContact NH2-OE2 3.29Å; R6-E24 PolarHBondContact NH2-OE2 3Å; N21-E24 PolarHBondContact ND2-OE2 3.2Å; E24-R27 PolarHBondContact O-N 2.9Å
25	N	33.6	Very low	43.9	Very low	75 Å²	75	88.8 Å²	88.8	40%	0.401	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-78.2	-18.5	169.4	-76.6	-7.5	0	0	0	113.6	D23 R27 I28 Q485	D23-N25 VanDerWaalsContact C-N 3.27Å; D23-N25 PolarHBondContact O-N 2.99Å; N25-R27 PolarHBondContact O-N 3.35Å; N25-I28 PolarHBondContact O-N 3.06Å; N25-Q485 PolarHBondContact ND2-O 3.29Å
26	A	32.4	Very low	42.9	Very low	72 Å²	72	85.2 Å²	85.2	60%	0.595	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-68.9	0.4	169	0	0	0	0	0	113	D23	D23-A26 WeakPolarHBondContact O-CB 3.35Å; D23-A26 PolarHBondContact O-N 2.82Å
27	R	30.5	Very low	42.5	Very low	203 Å²	203	85.1 Å²	85.1	77%	0.766	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-123.2	7.7	166.9	-68.1	-169.4	178.6	-168.8	1.8	114.2	E24 N25	E24-R27 PolarHBondContact O-N 2.9Å; N25-R27 PolarHBondContact O-N 3.35Å
28	I	26.3	Very low	43.1	Very low	104 Å²	104	84.9 Å²	84.9	53%	0.533	45%	0.449	S	S	.	.	S	Bend	trans	-109.4	97.4	174.9	-67.1	173.1	0	0	0	107.8	N25	N25-I28 PolarHBondContact O-N 3.06Å
29	R	28.7	Very low	43.9	Very low	200 Å²	200	81 Å²	81	76%	0.755	43%	0.426	S	S	*	.			trans	51.3	100.1	168.4	-61.5	175.4	-177.8	169.4	-0.1	114.2
30	S	29	Very low	44.8	Very low	61 Å²	61	82.4 Å²	82.4	43%	0.427	43%	0.429	S	S	.	.			trans	-54.6	143.4	143.7	55.5	0	0	0	0	108	Q32 E33	S30-Q32 PolarHBondContact O-N 2.84Å; S30-E33 PolarHBondContact O-N 3.15Å; S30-E33 PolarHBondContact OG-N 3.41Å
31	V	30.4	Very low	45.9	Very low	120 Å²	120	85.4 Å²	85.4	73%	0.727	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-58.4	-17.1	166.9	-178.6	0	0	0	0	110.3	E33 L34 S35	V31-E33 VanDerWaalsContact C-N 3.32Å; V31-E33 PolarHBondContact O-N 3.32Å; V31-L34 PolarHBondContact O-N 2.88Å; V31-L34 VanDerWaalsContact O-N 3.12Å; V31-S35 PolarHBondContact O-N 3.06Å
32	Q	32.7	Very low	47.4	Very low	144 Å²	144	85.4 Å²	85.4	67%	0.673	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-73.6	-3.8	171.9	-53.9	167.8	-53.1	0	0	115.8	S30 S35	S30-Q32 PolarHBondContact O-N 2.84Å; Q32-S35 WeakPolarHBondContact CA-O 3.46Å; Q32-S35 WeakPolarHBondContact CA-OG 3.37Å
33	E	33.8	Very low	48.7	Very low	134 Å²	134	94.8 Å²	94.8	63%	0.626	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-77.7	-4.2	161.7	-76.6	-169.9	143.4	0	0	112.5	S30 V31	S30-E33 PolarHBondContact O-N 3.15Å; S30-E33 PolarHBondContact OG-N 3.41Å; V31-E33 VanDerWaalsContact C-N 3.32Å; V31-E33 PolarHBondContact O-N 3.32Å
34	L	33.6	Very low	50.4	Low	97 Å²	97	98.2 Å²	98.2	51%	0.508	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-42.2	163.8	-69.5	173	0	0	0	112.1	V31 G36 P54	V31-L34 PolarHBondContact O-N 2.88Å; V31-L34 VanDerWaalsContact O-N 3.12Å; L34-G36 PolarHBondContact O-N 3.06Å; L34-G36 VanDerWaalsContact O-N 3.1Å; L34-P54 HydrophobicContact CB-CB 4.42Å; L34-P54 HydrophobicContact CB-CG 4.12Å; L34-P54 HydrophobicContact CD1-CG 4.27Å; L34-P54 HydrophobicContact CD2-CG 4.36Å; L34-P54 HydrophobicContact CG-CG 4.48Å
35	S	36.6	Very low	52.3	Low	43 Å²	43	102.8 Å²	102.8	30%	0.301	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	86.1	171.7	76.6	0	0	0	0	111.3	V31 Q32	V31-S35 PolarHBondContact O-N 3.06Å; Q32-S35 WeakPolarHBondContact CA-O 3.46Å; Q32-S35 WeakPolarHBondContact CA-OG 3.37Å
36	G	47.5	Very low	54.2	Low	52 Å²	52	100.1 Å²	100.1	54%	0.536	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	160.1	-2.7	-174.9	0	0	0	0	0	114.8	L34 T38	L34-G36 PolarHBondContact O-N 3.06Å; L34-G36 VanDerWaalsContact O-N 3.1Å; G36-T38 PolarHBondContact O-N 2.78Å
37	Q	57.9	Low	56	Low	78 Å²	78	101.6 Å²	101.6	36%	0.364	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-64.1	122.9	164.1	-65.7	-174.7	-3.7	0	0	109.2	I46 P64	Q37-I46 HydrophobicContact CB-CD1 3.97Å; Q37-I46 WeakPolarHBondContact O-CB 3.23Å; Q37-I46 WeakPolarHBondContact O-CG1 3.42Å; Q37-I46 PolarHBondContact O-N 3.01Å; Q37-I46 VanDerWaalsContact O-N 3.15Å; Q37-P64 HydrophobicContact CB-CB 4.15Å
38	T	74.9	Confident	57.8	Low	62 Å²	62	96.4 Å²	96.4	38%	0.38	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-85.9	141.5	167.6	48.4	0	0	0	0	110.1	G36 Q40 R43 D44	G36-T38 PolarHBondContact O-N 2.78Å; T38-Q40 PolarHBondContact O-N 3.23Å; T38-R43 WeakPolarHBondContact CB-O 3.33Å; T38-R43 WeakPolarHBondContact CG2-O 3.42Å; T38-D44 CarbonylContact C-O 3.54Å; T38-D44 VanDerWaalsContact CA-O 3.3Å; T38-D44 WeakPolarHBondContact CA-O 3.32Å
39	C	83.8	Confident	59.6	Low	0 Å²	0	94 Å²	94	0%	0	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-57.2	123.8	175.2	175.6	0	0	0	0	110.2	I41 C42 R43 D44 I46 C66	C39-I41 PolarHBondContact O-N 2.86Å; C39-I41 PolarHBondContact SG-N 3.24Å; C39-C42 VanDerWaalsContact CB-SG 3.5Å; C39-R43 WeakPolarHBondContact O-CA 3.32Å; C39-R43 PolarHBondContact O-N 3.4Å; C39-D44 PolarHBondContact N-O 3.06Å; C39-I46 HydrophobicContact CB-CG1 4.36Å; C39-C66 HydrophobicContact CB-CB 3.96Å; C39-C66 PolarHBondContact SG-N 3.17Å; C39-C66 VanDerWaalsContact SG-N 3.41Å
40	Q	81.3	Confident	61.3	Low	122 Å²	122	91.7 Å²	91.7	57%	0.57	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-0.5	-179.1	-67.4	-67	-40.9	0	0	113.8	T38 F63 P64	T38-Q40 PolarHBondContact O-N 3.23Å; Q40-F63 HydrophobicContact CB-CE1 4.23Å; Q40-F63 HydrophobicContact CB-CE2 4.26Å; Q40-F63 HydrophobicContact CB-CZ 3.66Å; Q40-F63 HydrophobicContact CG-CE2 4.32Å; Q40-F63 HydrophobicContact CG-CZ 4.22Å; Q40-P64 HydrophobicContact CG-CG 3.82Å; Q40-P64 PolarHBondContact N-O 2.9Å
41	I	80.8	Confident	62.6	Low	70 Å²	70	95.7 Å²	95.7	36%	0.359	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-59.1	176	-57.5	-178.2	0	0	0	110.5	C39 V65 C69 E73 P82	C39-I41 PolarHBondContact O-N 2.86Å; C39-I41 PolarHBondContact SG-N 3.24Å; I41-V65 HydrophobicContact CD1-CG1 3.96Å; I41-V65 HydrophobicContact CD1-CG2 4.17Å; I41-V65 HydrophobicContact CG1-CG2 4.47Å; I41-C69 HydrophobicContact CB-CB 4.09Å; I41-C69 HydrophobicContact CD1-CB 4.2Å; I41-C69 HydrophobicContact CG2-CB 4.27Å; I41-E73 HydrophobicContact CD1-CG 3.95Å; I41-P82 HydrophobicContact CD1-CG 4.38Å
42	C	85.9	Confident	64	Low	49 Å²	49	92.2 Å²	92.2	33%	0.331	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-18.1	-178.1	63	0	0	0	0	115.8	C39 D44 C69	C39-C42 VanDerWaalsContact CB-SG 3.5Å; C42-D44 VanDerWaalsContact C-N 3.31Å; C42-D44 WeakPolarHBondContact CB-OD2 3.43Å; C42-D44 PolarHBondContact SG-N 3.48Å; C42-D44 PolarHBondContact SG-OD2 3.41Å; C42-C69 VanDerWaalsContact SG-SG 3.61Å
43	R	80.4	Confident	65.5	Low	207 Å²	207	91.8 Å²	91.8	78%	0.781	49%	0.489	S	S	*	.			trans	72.3	4.4	-171.6	-52.7	179.9	176.2	174.1	-0.6	117.1	T38 C39	T38-R43 WeakPolarHBondContact CB-O 3.33Å; T38-R43 WeakPolarHBondContact CG2-O 3.42Å; C39-R43 WeakPolarHBondContact O-CA 3.32Å; C39-R43 PolarHBondContact O-N 3.4Å
44	D	80.1	Confident	67	Low	104 Å²	104	87 Å²	87	56%	0.556	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-69	162.3	170.3	-56.2	-55	0	0	0	111.9	T38 C39 C42	T38-D44 CarbonylContact C-O 3.54Å; T38-D44 VanDerWaalsContact CA-O 3.3Å; T38-D44 WeakPolarHBondContact CA-O 3.32Å; C39-D44 PolarHBondContact N-O 3.06Å; C42-D44 VanDerWaalsContact C-N 3.31Å; C42-D44 WeakPolarHBondContact CB-OD2 3.43Å; C42-D44 PolarHBondContact SG-N 3.48Å; C42-D44 PolarHBondContact SG-OD2 3.41Å
45	E	77.9	Confident	69.2	Low	162 Å²	162	83.3 Å²	83.3	76%	0.757	45%	0.45	S	S	*	.	B	Isolated β-bridge	trans	-67.2	141.6	176.6	-62.3	-178.1	169.5	0	0	111
46	I	73.5	Confident	71.4	Confident	19 Å²	19	84.3 Å²	84.3	10%	0.097	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-83.3	128.2	176.8	-65.4	175.7	0	0	0	109.9	Q37 C39 F55 P64 C66	Q37-I46 HydrophobicContact CB-CD1 3.97Å; Q37-I46 WeakPolarHBondContact O-CB 3.23Å; Q37-I46 WeakPolarHBondContact O-CG1 3.42Å; Q37-I46 PolarHBondContact O-N 3.01Å; Q37-I46 VanDerWaalsContact O-N 3.15Å; C39-I46 HydrophobicContact CB-CG1 4.36Å; I46-F55 HydrophobicContact CG2-CB 3.9Å; I46-F55 HydrophobicContact CG2-CD1 4.38Å; I46-P64 HydrophobicContact CD1-CB 3.55Å; I46-C66 HydrophobicContact CG1-CB 4.21Å
47	E	70.1	Confident	72.9	Confident	102 Å²	102	82.1 Å²	82.1	48%	0.477	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-64.5	151.5	-178.7	-61.8	172.7	154.4	0	0	112.7	F55	E47-F55 VanDerWaalsContact O-CB 3.28Å; E47-F55 WeakPolarHBondContact O-CB 3.2Å; E47-F55 PolarHBondContact O-N 2.9Å; E47-F55 VanDerWaalsContact O-N 3.07Å
48	L	68.6	Low	74.1	Confident	94 Å²	94	78.7 Å²	78.7	49%	0.492	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-89.5	145.6	168.4	-64.9	171.2	0	0	0	109.8	E53	L48-E53 CarbonylContact C-O 3.55Å; L48-E53 WeakPolarHBondContact CA-O 3.29Å
49	T	65	Low	74.1	Confident	53 Å²	53	81.8 Å²	81.8	33%	0.325	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71	169	171.4	65.8	0	0	0	0	111.3	D51 G52 E53	T49-D51 PolarHBondContact O-N 2.97Å; T49-G52 PolarHBondContact O-N 3.42Å; T49-E53 PolarHBondContact N-O 3.38Å; T49-E53 PolarHBondContact OG1-N 2.96Å; T49-E53 VanDerWaalsContact OG1-N 3.16Å; T49-E53 PolarHBondContact OG1-O 3.37Å
50	V	63.2	Low	73.7	Confident	152 Å²	152	88.6 Å²	88.6	92%	0.921	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.5	177.9	-175.1	0	0	0	0	111.9	G52	V50-G52 VanDerWaalsContact C-N 3.32Å
51	D	57.4	Low	73.7	Confident	145 Å²	145	84.6 Å²	84.6	78%	0.775	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.2	178.3	-51.6	-78.2	0	0	0	113.8	T49	T49-D51 PolarHBondContact O-N 2.97Å
52	G	59.1	Low	73.6	Confident	47 Å²	47	84.3 Å²	84.3	49%	0.485	45%	0.454	S	S	.	.	S	Bend	trans	85.8	11.1	177.8	0	0	0	0	0	115.5	T49 V50	T49-G52 PolarHBondContact O-N 3.42Å; V50-G52 VanDerWaalsContact C-N 3.32Å
53	E	63.8	Low	73.4	Confident	135 Å²	135	83.3 Å²	83.3	63%	0.631	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-87.9	152.2	175.4	-60.5	-164.4	147.2	0	0	111.3	L48 T49	L48-E53 CarbonylContact C-O 3.55Å; L48-E53 WeakPolarHBondContact CA-O 3.29Å; T49-E53 PolarHBondContact N-O 3.38Å; T49-E53 PolarHBondContact OG1-N 2.96Å; T49-E53 VanDerWaalsContact OG1-N 3.16Å; T49-E53 PolarHBondContact OG1-O 3.37Å
54	P	66.5	Low	73.4	Confident	35 Å²	35	74.9 Å²	74.9	23%	0.227	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-67.2	139.2	174.2	30.1	-36.9	0	0	0	111.4	L34 V56	L34-P54 HydrophobicContact CB-CB 4.42Å; L34-P54 HydrophobicContact CB-CG 4.12Å; L34-P54 HydrophobicContact CD1-CG 4.27Å; L34-P54 HydrophobicContact CD2-CG 4.36Å; L34-P54 HydrophobicContact CG-CG 4.48Å; P54-V56 PolarHBondContact O-N 2.99Å
55	F	79.7	Confident	73.6	Confident	19 Å²	19	70 Å²	70	8%	0.083	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-62.8	117.9	174.7	174.5	-94.2	0	0	0	111.9	I46 E47 A57 V65 R67 Y70 L91	I46-F55 HydrophobicContact CG2-CB 3.9Å; I46-F55 HydrophobicContact CG2-CD1 4.38Å; E47-F55 VanDerWaalsContact O-CB 3.28Å; E47-F55 WeakPolarHBondContact O-CB 3.2Å; E47-F55 PolarHBondContact O-N 2.9Å; E47-F55 VanDerWaalsContact O-N 3.07Å; F55-A57 HydrophobicContact CE1-CB 3.95Å; F55-V65 VanDerWaalsContact CD1-O 3.32Å; F55-V65 WeakPolarHBondContact CD1-O 3.18Å; F55-V65 WeakPolarHBondContact CE1-O 3.44Å; F55-R67 HydrophobicContact CD2-CB 4.42Å; F55-R67 HydrophobicContact CE1-CB 4.23Å; F55-R67 HydrophobicContact CE2-CB 4.06Å; F55-R67 HydrophobicContact CZ-CB 3.97Å; F55-Y70 HydrophobicContact CE1-CD1 4.44Å; F55-Y70 HydrophobicContact CE1-CG 4.27Å; F55-Y70 AromaticContact CZ-CD1 3.64Å; F55-Y70 HydrophobicContact CZ-CD1 3.64Å; F55-Y70 HydrophobicContact CZ-CE1 4.23Å; F55-Y70 AromaticContact CZ-CG 3.82Å; F55-Y70 HydrophobicContact CZ-CG 3.82Å; F55-L91 HydrophobicContact CD2-CD1 4.47Å; F55-L91 HydrophobicContact CE2-CD1 3.51Å; F55-L91 HydrophobicContact CZ-CD1 3.63Å
56	V	81.7	Confident	74.1	Confident	64 Å²	64	62.5 Å²	62.5	39%	0.388	36%	0.356	S	S	.	.			trans	-103.8	107	179	179.9	0	0	0	0	110.4	P54	P54-V56 PolarHBondContact O-N 2.99Å
57	A	79.9	Confident	74.7	Confident	5 Å²	5	64.9 Å²	64.9	4%	0.041	36%	0.364	C	S	.	.	S	Bend	trans	-72.9	-30.2	178.5	0	0	0	0	0	114	F55 V65 Y70 F88	F55-A57 HydrophobicContact CE1-CB 3.95Å; A57-V65 HydrophobicContact CB-CB 3.9Å; A57-Y70 HydrophobicContact CB-CD2 4.15Å; A57-Y70 HydrophobicContact CB-CG 4.41Å; A57-F88 HydrophobicContact CB-CE1 4.04Å; A57-F88 WeakPolarHBondContact O-CD1 3.21Å; A57-F88 VanDerWaalsContact O-CE1 3.32Å; A57-F88 WeakPolarHBondContact O-CE1 3.31Å
58	C	82.1	Confident	75.4	Confident	7 Å²	7	63.7 Å²	63.7	5%	0.047	37%	0.365	C	S	.	.			trans	-136	110.5	-174.5	-178.8	0	0	0	0	112.5	E60 C61 A62 C81 C84 F88	C58-E60 VanDerWaalsContact C-N 3.25Å; C58-E60 PolarHBondContact O-N 2.83Å; C58-C61 PolarHBondContact O-N 3.06Å; C58-A62 WeakPolarHBondContact O-CA 3.49Å; C58-A62 PolarHBondContact O-N 3.21Å; C58-C81 HydrophobicContact CB-CB 4.26Å; C58-C84 VanDerWaalsContact SG-SG 3.65Å; C58-F88 HydrophobicContact CB-CD1 4.48Å; C58-F88 HydrophobicContact CB-CE1 4.01Å
59	N	76.1	Confident	76.3	Confident	126 Å²	126	59.9 Å²	59.9	67%	0.674	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.8	-173.4	-60.2	4.1	0	0	0	114.6
60	E	75.5	Confident	77.5	Confident	143 Å²	143	57.4 Å²	57.4	67%	0.668	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-25.9	-179.7	-69.3	-163.9	163.3	0	0	114.6	C58 T86	C58-E60 VanDerWaalsContact C-N 3.25Å; C58-E60 PolarHBondContact O-N 2.83Å; E60-T86 HydrophobicContact CG-CG2 4.23Å; E60-T86 WeakPolarHBondContact OE2-CB 3.27Å; E60-T86 WeakPolarHBondContact OE2-CG2 3.35Å; E60-T86 PolarHBondContact OE2-OG1 3.45Å
61	C	79.9	Confident	78.6	Confident	39 Å²	39	52.8 Å²	52.8	26%	0.264	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	4.6	-177.3	74.5	0	0	0	0	115.6	C58 F63 C84	C58-C61 PolarHBondContact O-N 3.06Å; C61-F63 PolarHBondContact O-N 3.4Å; C61-F63 VanDerWaalsContact O-N 3.13Å; C61-C84 HydrophobicContact CB-CB 4.04Å; C61-C84 PolarHBondContact SG-SG 2.91Å
62	A	79.9	Confident	79.9	Confident	63 Å²	63	51.6 Å²	51.6	52%	0.521	29%	0.285	S	S	.	.			trans	49.3	37.1	178.3	0	0	0	0	0	114	C58 P64	C58-A62 WeakPolarHBondContact O-CA 3.49Å; C58-A62 PolarHBondContact O-N 3.21Å; A62-P64 WeakPolarHBondContact O-CD 3.4Å
63	F	81.2	Confident	81.2	Confident	29 Å²	29	50.8 Å²	50.8	13%	0.127	27%	0.268	C	S	.	.			trans	-65.9	121.4	-177.2	-175.1	-111.8	0	0	0	111	Q40 C61 V65 P82 Q83	Q40-F63 HydrophobicContact CB-CE1 4.23Å; Q40-F63 HydrophobicContact CB-CE2 4.26Å; Q40-F63 HydrophobicContact CB-CZ 3.66Å; Q40-F63 HydrophobicContact CG-CE2 4.32Å; Q40-F63 HydrophobicContact CG-CZ 4.22Å; C61-F63 PolarHBondContact O-N 3.4Å; C61-F63 VanDerWaalsContact O-N 3.13Å; F63-V65 HydrophobicContact CD1-CG2 3.47Å; F63-V65 VanDerWaalsContact CD1-CG2 3.47Å; F63-V65 HydrophobicContact CE1-CG2 3.71Å; F63-V65 PolarHBondContact O-N 2.88Å; F63-V65 VanDerWaalsContact O-N 3.14Å; F63-P82 HydrophobicContact CD1-CB 4.46Å; F63-P82 HydrophobicContact CD1-CG 4.33Å; F63-P82 HydrophobicContact CE1-CB 3.84Å; F63-P82 HydrophobicContact CE1-CG 3.83Å; F63-P82 HydrophobicContact CZ-CB 4.25Å; F63-Q83 HydrophobicContact CB-CB 4.35Å; F63-Q83 HydrophobicContact CD2-CB 3.61Å; F63-Q83 HydrophobicContact CD2-CG 4.28Å; F63-Q83 HydrophobicContact CE2-CB 4.03Å; F63-Q83 HydrophobicContact CG-CB 3.97Å
64	P	80.7	Confident	82.3	Confident	30 Å²	30	44.8 Å²	44.8	20%	0.195	24%	0.24	C	C	.	.			trans	-69.9	108.1	-171.8	20.5	-29.2	0	0	0	113.1	Q37 Q40 I46 A62	Q37-P64 HydrophobicContact CB-CB 4.15Å; Q40-P64 HydrophobicContact CG-CG 3.82Å; Q40-P64 PolarHBondContact N-O 2.9Å; I46-P64 HydrophobicContact CD1-CB 3.55Å; A62-P64 WeakPolarHBondContact O-CD 3.4Å
65	V	84.3	Confident	83	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.			trans	-141.1	132.2	177.7	-176.8	0	0	0	0	108.2	I41 F55 A57 F63 C69	I41-V65 HydrophobicContact CD1-CG1 3.96Å; I41-V65 HydrophobicContact CD1-CG2 4.17Å; I41-V65 HydrophobicContact CG1-CG2 4.47Å; F55-V65 VanDerWaalsContact CD1-O 3.32Å; F55-V65 WeakPolarHBondContact CD1-O 3.18Å; F55-V65 WeakPolarHBondContact CE1-O 3.44Å; A57-V65 HydrophobicContact CB-CB 3.9Å; F63-V65 HydrophobicContact CD1-CG2 3.47Å; F63-V65 VanDerWaalsContact CD1-CG2 3.47Å; F63-V65 HydrophobicContact CE1-CG2 3.71Å; F63-V65 PolarHBondContact O-N 2.88Å; F63-V65 VanDerWaalsContact O-N 3.14Å; V65-C69 HydrophobicContact CG1-CB 3.44Å; V65-C69 VanDerWaalsContact CG1-CB 3.44Å
66	C	88.1	Confident	82.9	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.034	28%	0.28	C	S	.	.			trans	-74.8	160.7	175.9	63	0	0	0	0	111.8	C39 I46 C69 Y70	C39-C66 HydrophobicContact CB-CB 3.96Å; C39-C66 PolarHBondContact SG-N 3.17Å; C39-C66 VanDerWaalsContact SG-N 3.41Å; I46-C66 HydrophobicContact CG1-CB 4.21Å; C66-C69 PolarHBondContact O-N 2.77Å; C66-C69 VanDerWaalsContact O-N 3.07Å; C66-Y70 PolarHBondContact O-N 3.02Å
67	R	86	Confident	82.8	Confident	69 Å²	69	53.8 Å²	53.8	26%	0.26	28%	0.275	S	S	.	.	H	α-helix	trans	-50.1	-48.5	-179.3	169.1	179.8	-90.3	-95.1	10.2	113.3	F55 C69 Y70 E71 K92 G93 S94	F55-R67 HydrophobicContact CD2-CB 4.42Å; F55-R67 HydrophobicContact CE1-CB 4.23Å; F55-R67 HydrophobicContact CE2-CB 4.06Å; F55-R67 HydrophobicContact CZ-CB 3.97Å; R67-C69 PolarHBondContact O-N 3.13Å; R67-Y70 PolarHBondContact O-N 2.84Å; R67-E71 IonicContact CZ-OE1 2.83Å; R67-E71 IonicContact NH1-OE1 3.55Å; R67-E71 PolarHBondContact NH1-OE1 3.23Å; R67-E71 PolarHBondContact O-N 3.24Å; R67-K92 PolarHBondContact NH2-O 3.04Å; R67-G93 PolarHBondContact NH1-O 3.1Å; R67-S94 PolarHBondContact NH1-OG 2.83Å; R67-S94 VanDerWaalsContact NH1-OG 3.14Å
68	P	85.4	Confident	82.9	Confident	77 Å²	77	60 Å²	60	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-40.8	176.7	-27.7	35.8	0	0	0	114.5	Y72	P68-Y72 WeakPolarHBondContact O-CB 3.48Å; P68-Y72 PolarHBondContact O-N 2.95Å
69	C	87.2	Confident	83	Confident	15 Å²	15	62.4 Å²	62.4	10%	0.101	32%	0.318	C	S	.	.	H	α-helix	trans	-76.3	-28.6	179.2	-72	0	0	0	0	113.2	I41 C42 V65 C66 R67 E73	I41-C69 HydrophobicContact CB-CB 4.09Å; I41-C69 HydrophobicContact CD1-CB 4.2Å; I41-C69 HydrophobicContact CG2-CB 4.27Å; C42-C69 VanDerWaalsContact SG-SG 3.61Å; V65-C69 HydrophobicContact CG1-CB 3.44Å; V65-C69 VanDerWaalsContact CG1-CB 3.44Å; C66-C69 PolarHBondContact O-N 2.77Å; C66-C69 VanDerWaalsContact O-N 3.07Å; R67-C69 PolarHBondContact O-N 3.13Å; C69-E73 PolarHBondContact O-N 3.34Å
70	Y	89.1	Confident	83.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.9	-41.1	171.3	148	-87.3	0	0	0	111.1	F55 A57 C66 R67 E73 R74 F88 K89 L91	F55-Y70 HydrophobicContact CE1-CD1 4.44Å; F55-Y70 HydrophobicContact CE1-CG 4.27Å; F55-Y70 AromaticContact CZ-CD1 3.64Å; F55-Y70 HydrophobicContact CZ-CD1 3.64Å; F55-Y70 HydrophobicContact CZ-CE1 4.23Å; F55-Y70 AromaticContact CZ-CG 3.82Å; F55-Y70 HydrophobicContact CZ-CG 3.82Å; A57-Y70 HydrophobicContact CB-CD2 4.15Å; A57-Y70 HydrophobicContact CB-CG 4.41Å; C66-Y70 PolarHBondContact O-N 3.02Å; R67-Y70 PolarHBondContact O-N 2.84Å; Y70-E73 PolarHBondContact O-N 2.94Å; Y70-R74 HydrophobicContact CE2-CG 4.23Å; Y70-R74 WeakPolarHBondContact O-CG 3.45Å; Y70-R74 PolarHBondContact O-N 3Å; Y70-R74 WeakPolarHBondContact OH-CD 3.31Å; Y70-F88 HydrophobicContact CD2-CD1 4.03Å; Y70-F88 HydrophobicContact CD2-CE1 4.34Å; Y70-F88 HydrophobicContact CD2-CG 4.37Å; Y70-F88 HydrophobicContact CE2-CB 4.4Å; Y70-F88 HydrophobicContact CE2-CD1 4.38Å; Y70-K89 PolarHBondContact OH-O 3.13Å; Y70-L91 HydrophobicContact CD2-CD1 4.43Å; Y70-L91 HydrophobicContact CE1-CB 4.46Å; Y70-L91 HydrophobicContact CE1-CD1 4.05Å; Y70-L91 HydrophobicContact CE1-CG 4.46Å; Y70-L91 HydrophobicContact CE2-CD1 3.88Å; Y70-L91 HydrophobicContact CE2-CG 4.13Å; Y70-L91 WeakPolarHBondContact OH-CB 3.31Å; Y70-L91 PolarHBondContact OH-N 2.75Å
71	E	86.4	Confident	83.8	Confident	55 Å²	55	50.6 Å²	50.6	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-38.5	174.6	-77.4	167.5	-178.1	0	0	111.4	R67 R74 R75 S94	R67-E71 IonicContact CZ-OE1 2.83Å; R67-E71 IonicContact NH1-OE1 3.55Å; R67-E71 PolarHBondContact NH1-OE1 3.23Å; R67-E71 PolarHBondContact O-N 3.24Å; E71-R74 PolarHBondContact O-N 3.15Å; E71-R75 WeakPolarHBondContact O-CB 3.27Å; E71-R75 PolarHBondContact O-N 3.26Å; E71-S94 WeakPolarHBondContact OE1-CB 3.07Å; E71-S94 PolarHBondContact OE1-OG 2.96Å
72	Y	85.9	Confident	83.9	Confident	121 Å²	121	50.8 Å²	50.8	48%	0.475	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-51.4	171.1	-177.8	-101.1	0	0	0	113	P68 R74 R75 E76 G77	P68-Y72 WeakPolarHBondContact O-CB 3.48Å; P68-Y72 PolarHBondContact O-N 2.95Å; Y72-R74 VanDerWaalsContact C-N 3.26Å; Y72-R74 PolarHBondContact O-N 3.39Å; Y72-R75 PolarHBondContact O-N 2.67Å; Y72-E76 HydrophobicContact CD2-CB 4.1Å; Y72-E76 HydrophobicContact CE2-CB 3.77Å; Y72-E76 HydrophobicContact CE2-CG 4.49Å; Y72-E76 WeakPolarHBondContact CE2-OE2 3.45Å; Y72-E76 PolarHBondContact O-N 3.48Å; Y72-G77 PolarHBondContact O-N 3.38Å
73	E	85.5	Confident	84	Confident	29 Å²	29	53.4 Å²	53.4	14%	0.136	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-26.2	179.5	-83.8	-74	177.8	0	0	113.4	I41 C69 Y70 G77 N78 Q79 F88	I41-E73 HydrophobicContact CD1-CG 3.95Å; C69-E73 PolarHBondContact O-N 3.34Å; Y70-E73 PolarHBondContact O-N 2.94Å; E73-G77 CarbonylContact O-C 3.55Å; E73-G77 WeakPolarHBondContact OE2-CA 3.3Å; E73-N78 PolarHBondContact OE2-N 2.66Å; E73-Q79 VanDerWaalsContact O-CA 3.31Å; E73-Q79 WeakPolarHBondContact O-CA 3.35Å; E73-Q79 PolarHBondContact O-N 2.95Å; E73-F88 HydrophobicContact CB-CD2 4.36Å; E73-F88 HydrophobicContact CB-CE2 3.85Å
74	R	88.1	Confident	84	Confident	9 Å²	9	54.2 Å²	54.2	3%	0.034	27%	0.273	C	S	.	.	H	α-helix	trans	-75.5	-42.1	170.5	-75.5	-176.1	71	-114.7	2.4	112.9	Y70 E71 Y72 F88 P95 V97 D100	Y70-R74 HydrophobicContact CE2-CG 4.23Å; Y70-R74 WeakPolarHBondContact O-CG 3.45Å; Y70-R74 PolarHBondContact O-N 3Å; Y70-R74 WeakPolarHBondContact OH-CD 3.31Å; E71-R74 PolarHBondContact O-N 3.15Å; Y72-R74 VanDerWaalsContact C-N 3.26Å; Y72-R74 PolarHBondContact O-N 3.39Å; R74-F88 HydrophobicContact CG-CB 3.71Å; R74-F88 HydrophobicContact CG-CD2 4.38Å; R74-F88 HydrophobicContact CG-CG 4.32Å; R74-P95 PolarHBondContact NH1-O 3.45Å; R74-V97 HydrophobicContact CB-CG2 4.3Å; R74-V97 WeakPolarHBondContact O-CG1 3.06Å; R74-D100 IonicContact CZ-OD1 3.58Å; R74-D100 IonicContact CZ-OD2 3.82Å; R74-D100 IonicContact NH2-OD1 2.69Å; R74-D100 PolarHBondContact NH2-OD1 3.34Å; R74-D100 IonicContact NH2-OD2 2.72Å; R74-D100 PolarHBondContact NH2-OD2 3.25Å
75	R	81.3	Confident	84.1	Confident	167 Å²	167	60 Å²	60	63%	0.63	30%	0.296	S	S	*	.	H	α-helix	trans	-84.3	-40.7	-172.3	-168.6	-170.4	-170.4	-120.4	6.6	114.1	E71 Y72	E71-R75 WeakPolarHBondContact O-CB 3.27Å; E71-R75 PolarHBondContact O-N 3.26Å; Y72-R75 PolarHBondContact O-N 2.67Å
76	E	77.7	Confident	84.1	Confident	113 Å²	113	62.2 Å²	62.2	53%	0.528	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-14.3	-167.9	-70.5	172	-138.5	0	0	113.3	Y72	Y72-E76 HydrophobicContact CD2-CB 4.1Å; Y72-E76 HydrophobicContact CE2-CB 3.77Å; Y72-E76 HydrophobicContact CE2-CG 4.49Å; Y72-E76 WeakPolarHBondContact CE2-OE2 3.45Å; Y72-E76 PolarHBondContact O-N 3.48Å
77	G	78.8	Confident	83.9	Confident	27 Å²	27	67.6 Å²	67.6	28%	0.278	33%	0.328	S	S	.	.	S	Bend	trans	-93.4	-151.2	176.4	0	0	0	0	0	114.7	Y72 E73 Q79	Y72-G77 PolarHBondContact O-N 3.38Å; E73-G77 CarbonylContact O-C 3.55Å; E73-G77 WeakPolarHBondContact OE2-CA 3.3Å; G77-Q79 VanDerWaalsContact C-N 3.29Å; G77-Q79 PolarHBondContact O-N 2.87Å
78	N	81	Confident	83.9	Confident	136 Å²	136	64.8 Å²	64.8	73%	0.727	32%	0.318	S	S	*	.			trans	-86.7	7.3	-171.1	-66.9	-86.9	0	0	0	113.8	E73 A80	E73-N78 PolarHBondContact OE2-N 2.66Å; N78-A80 PolarHBondContact O-N 3.35Å
79	Q	84.7	Confident	83.7	Confident	58 Å²	58	67.8 Å²	67.8	27%	0.271	32%	0.323	S	S	.	.	S	Bend	trans	54.7	9.6	-171.2	-57.4	-170.5	-11.9	0	0	115.3	E73 G77 R87 F88	E73-Q79 VanDerWaalsContact O-CA 3.31Å; E73-Q79 WeakPolarHBondContact O-CA 3.35Å; E73-Q79 PolarHBondContact O-N 2.95Å; G77-Q79 VanDerWaalsContact C-N 3.29Å; G77-Q79 PolarHBondContact O-N 2.87Å; Q79-R87 HydrophobicContact CB-CG 4.38Å; Q79-R87 CarbonylContact O-C 3.45Å; Q79-R87 WeakPolarHBondContact O-CA 3.09Å; Q79-R87 VanDerWaalsContact O-CG 3.27Å; Q79-R87 WeakPolarHBondContact O-CG 3.34Å; Q79-R87 VanDerWaalsContact OE1-NE 3.09Å; Q79-F88 PolarHBondContact O-N 3.43Å
80	A	85	Confident	83.4	Confident	21 Å²	21	69.9 Å²	69.9	17%	0.174	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-138.1	146	-168.1	0	0	0	0	0	112.3	N78 T86 F88	N78-A80 PolarHBondContact O-N 3.35Å; A80-T86 WeakPolarHBondContact CA-O 3.21Å; A80-F88 VanDerWaalsContact C-CE2 3.48Å; A80-F88 WeakPolarHBondContact O-CE2 3.45Å
81	C	84	Confident	83	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.34	C	S	.	.			trans	-57.2	126.7	-179	179.7	0	0	0	0	111.2	C58 Q83 C84 K85 T86 F88	C58-C81 HydrophobicContact CB-CB 4.26Å; C81-Q83 PolarHBondContact O-N 2.94Å; C81-Q83 VanDerWaalsContact O-N 3.11Å; C81-C84 VanDerWaalsContact CB-SG 3.53Å; C81-K85 WeakPolarHBondContact O-CA 3.04Å; C81-K85 PolarHBondContact O-N 2.87Å; C81-T86 PolarHBondContact N-O 2.59Å; C81-F88 HydrophobicContact CB-CE1 4.32Å; C81-F88 HydrophobicContact CB-CZ 4.21Å
82	P	82.5	Confident	82.2	Confident	43 Å²	43	76 Å²	76	28%	0.279	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-35.3	179	-30.6	36.8	0	0	0	113.8	I41 F63 K85	I41-P82 HydrophobicContact CD1-CG 4.38Å; F63-P82 HydrophobicContact CD1-CB 4.46Å; F63-P82 HydrophobicContact CD1-CG 4.33Å; F63-P82 HydrophobicContact CE1-CB 3.84Å; F63-P82 HydrophobicContact CE1-CG 3.83Å; F63-P82 HydrophobicContact CZ-CB 4.25Å; P82-K85 PolarHBondContact O-NZ 3.41Å
83	Q	80.4	Confident	81.4	Confident	118 Å²	118	71.5 Å²	71.5	55%	0.551	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-61.2	-177.4	-174.6	171	-85.9	0	0	113.7	F63 C81	F63-Q83 HydrophobicContact CB-CB 4.35Å; F63-Q83 HydrophobicContact CD2-CB 3.61Å; F63-Q83 HydrophobicContact CD2-CG 4.28Å; F63-Q83 HydrophobicContact CE2-CB 4.03Å; F63-Q83 HydrophobicContact CG-CB 3.97Å; C81-Q83 PolarHBondContact O-N 2.94Å; C81-Q83 VanDerWaalsContact O-N 3.11Å
84	C	81.8	Confident	80.7	Confident	46 Å²	46	70.3 Å²	70.3	31%	0.311	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.1	-172.7	68	0	0	0	0	115.2	C58 C61 C81 T86	C58-C84 VanDerWaalsContact SG-SG 3.65Å; C61-C84 HydrophobicContact CB-CB 4.04Å; C61-C84 PolarHBondContact SG-SG 2.91Å; C81-C84 VanDerWaalsContact CB-SG 3.53Å; C84-T86 PolarHBondContact O-N 3.5Å; C84-T86 VanDerWaalsContact O-N 3.11Å; C84-T86 VanDerWaalsContact SG-CB 3.59Å; C84-T86 PolarHBondContact SG-OG1 3.33Å
85	K	84.1	Confident	80	Confident	152 Å²	152	73.6 Å²	73.6	66%	0.661	37%	0.365	S	S	*	.			trans	62.4	2.5	-174.8	-52.1	-51	-173.7	-162.3	0	116.2	C81 P82	C81-K85 WeakPolarHBondContact O-CA 3.04Å; C81-K85 PolarHBondContact O-N 2.87Å; P82-K85 PolarHBondContact O-NZ 3.41Å
86	T	82.3	Confident	79.8	Confident	45 Å²	45	71.6 Å²	71.6	28%	0.276	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-62.9	136.7	168.4	-43.5	0	0	0	0	110.3	E60 A80 C81 C84	E60-T86 HydrophobicContact CG-CG2 4.23Å; E60-T86 WeakPolarHBondContact OE2-CB 3.27Å; E60-T86 WeakPolarHBondContact OE2-CG2 3.35Å; E60-T86 PolarHBondContact OE2-OG1 3.45Å; A80-T86 WeakPolarHBondContact CA-O 3.21Å; C81-T86 PolarHBondContact N-O 2.59Å; C84-T86 PolarHBondContact O-N 3.5Å; C84-T86 VanDerWaalsContact O-N 3.11Å; C84-T86 VanDerWaalsContact SG-CB 3.59Å; C84-T86 PolarHBondContact SG-OG1 3.33Å
87	R	84.8	Confident	79.7	Confident	118 Å²	118	68 Å²	68	45%	0.445	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-63.1	138.4	177.1	-161.1	175	-177.8	-134.4	-2.5	110.8	Q79 K89 E98 G99	Q79-R87 HydrophobicContact CB-CG 4.38Å; Q79-R87 CarbonylContact O-C 3.45Å; Q79-R87 WeakPolarHBondContact O-CA 3.09Å; Q79-R87 VanDerWaalsContact O-CG 3.27Å; Q79-R87 WeakPolarHBondContact O-CG 3.34Å; Q79-R87 VanDerWaalsContact OE1-NE 3.09Å; R87-K89 PolarHBondContact O-N 3.35Å; R87-E98 PolarHBondContact NH2-O 2.95Å; R87-G99 PolarHBondContact NH1-O 3.14Å
88	F	85.6	Confident	79.2	Confident	11 Å²	11	75 Å²	75	5%	0.048	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-69.7	125.1	175.4	-75.4	-64.8	0	0	0	110.3	A57 C58 Y70 E73 R74 Q79 A80 C81	A57-F88 HydrophobicContact CB-CE1 4.04Å; A57-F88 WeakPolarHBondContact O-CD1 3.21Å; A57-F88 VanDerWaalsContact O-CE1 3.32Å; A57-F88 WeakPolarHBondContact O-CE1 3.31Å; C58-F88 HydrophobicContact CB-CD1 4.48Å; C58-F88 HydrophobicContact CB-CE1 4.01Å; Y70-F88 HydrophobicContact CD2-CD1 4.03Å; Y70-F88 HydrophobicContact CD2-CE1 4.34Å; Y70-F88 HydrophobicContact CD2-CG 4.37Å; Y70-F88 HydrophobicContact CE2-CB 4.4Å; Y70-F88 HydrophobicContact CE2-CD1 4.38Å; E73-F88 HydrophobicContact CB-CD2 4.36Å; E73-F88 HydrophobicContact CB-CE2 3.85Å; R74-F88 HydrophobicContact CG-CB 3.71Å; R74-F88 HydrophobicContact CG-CD2 4.38Å; R74-F88 HydrophobicContact CG-CG 4.32Å; Q79-F88 PolarHBondContact O-N 3.43Å; A80-F88 VanDerWaalsContact C-CE2 3.48Å; A80-F88 WeakPolarHBondContact O-CE2 3.45Å; C81-F88 HydrophobicContact CB-CE1 4.32Å; C81-F88 HydrophobicContact CB-CZ 4.21Å
89	K	81.2	Confident	78.5	Confident	139 Å²	139	70.8 Å²	70.8	60%	0.604	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-76.6	156.1	167.8	-71.9	-158.9	169.5	-130.5	0	110.5	Y70 R87 E101	Y70-K89 PolarHBondContact OH-O 3.13Å; R87-K89 PolarHBondContact O-N 3.35Å; K89-E101 IonicContact NZ-OE2 2.86Å; K89-E101 PolarHBondContact NZ-OE2 2.84Å
90	R	81.8	Confident	77.9	Confident	60 Å²	60	69.6 Å²	69.6	23%	0.226	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-65.3	133.1	170.3	-173.4	174.8	178.9	-98	-6.7	110.2	S94 D108	R90-S94 PolarHBondContact NE-O 2.77Å; R90-S94 PolarHBondContact NH2-O 2.84Å; R90-D108 IonicContact CZ-OD2 3.45Å; R90-D108 IonicContact NH1-OD2 2.89Å; R90-D108 PolarHBondContact NH1-OD2 3.2Å; R90-D108 IonicContact NH2-OD2 3.79Å; R90-D108 PolarHBondContact NH2-OD2 3.49Å
91	L	79.3	Confident	76.8	Confident	42 Å²	42	75.6 Å²	75.6	22%	0.22	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-102.1	151.8	168.8	-63.4	174.9	0	0	0	109.4	F55 Y70 S94	F55-L91 HydrophobicContact CD2-CD1 4.47Å; F55-L91 HydrophobicContact CE2-CD1 3.51Å; F55-L91 HydrophobicContact CZ-CD1 3.63Å; Y70-L91 HydrophobicContact CD2-CD1 4.43Å; Y70-L91 HydrophobicContact CE1-CB 4.46Å; Y70-L91 HydrophobicContact CE1-CD1 4.05Å; Y70-L91 HydrophobicContact CE1-CG 4.46Å; Y70-L91 HydrophobicContact CE2-CD1 3.88Å; Y70-L91 HydrophobicContact CE2-CG 4.13Å; Y70-L91 WeakPolarHBondContact OH-CB 3.31Å; Y70-L91 PolarHBondContact OH-N 2.75Å; L91-S94 PolarHBondContact O-N 3.2Å
92	K	69.6	Low	75.4	Confident	140 Å²	140	84.6 Å²	84.6	61%	0.609	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	138	-177.1	-169.5	159	-173.9	159.8	0	111.3	R67 D108	R67-K92 PolarHBondContact NH2-O 3.04Å; K92-D108 VanDerWaalsContact CE-OD1 3.24Å; K92-D108 WeakPolarHBondContact CE-OD1 3.23Å
93	G	69.7	Low	74	Confident	28 Å²	28	88.9 Å²	88.9	29%	0.289	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	33.8	-173.9	0	0	0	0	0	114	R67	R67-G93 PolarHBondContact NH1-O 3.1Å
94	S	70.7	Confident	72.3	Confident	4 Å²	4	90.9 Å²	90.9	3%	0.028	45%	0.45	C	S	.	.	S	Bend	trans	-125.4	149.6	165.4	-67.9	0	0	0	0	110.7	R67 E71 R90 L91	R67-S94 PolarHBondContact NH1-OG 2.83Å; R67-S94 VanDerWaalsContact NH1-OG 3.14Å; E71-S94 WeakPolarHBondContact OE1-CB 3.07Å; E71-S94 PolarHBondContact OE1-OG 2.96Å; R90-S94 PolarHBondContact NE-O 2.77Å; R90-S94 PolarHBondContact NH2-O 2.84Å; L91-S94 PolarHBondContact O-N 3.2Å
95	P	73.9	Confident	70.6	Confident	78 Å²	78	95.1 Å²	95.1	51%	0.506	47%	0.47	S	S	.	.			trans	-58.6	151.4	-179	-26.4	35.5	0	0	0	114.4	R74	R74-P95 PolarHBondContact NH1-O 3.45Å
96	R	76.2	Confident	69	Low	125 Å²	125	94.6 Å²	94.6	47%	0.472	47%	0.473	S	S	.	.			trans	-69.5	147.2	167.8	-89.4	178.4	162.2	135.5	-2	111.3	D100 E103	R96-D100 VanDerWaalsContact CA-OD2 3.28Å; R96-D100 WeakPolarHBondContact CA-OD2 3.37Å; R96-E103 PolarHBondContact NH2-O 3.15Å
97	V	76.9	Confident	67.6	Low	38 Å²	38	98.5 Å²	98.5	23%	0.23	49%	0.492	C	S	.	.			trans	-136.9	158.5	171.4	-161.8	0	0	0	0	109.6	R74 G99 D100	R74-V97 HydrophobicContact CB-CG2 4.3Å; R74-V97 WeakPolarHBondContact O-CG1 3.06Å; V97-G99 PolarHBondContact O-N 2.85Å; V97-G99 VanDerWaalsContact O-N 3.12Å; V97-D100 PolarHBondContact N-OD2 3.41Å; V97-D100 PolarHBondContact O-N 2.97Å; V97-D100 VanDerWaalsContact O-N 3.1Å
98	E	66.9	Low	65.8	Low	172 Å²	172	94.6 Å²	94.6	80%	0.804	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	118.8	-176	-71	-166.3	136.3	0	0	112.8	R87	R87-E98 PolarHBondContact NH2-O 2.95Å
99	G	67.7	Low	64	Low	49 Å²	49	99.1 Å²	99.1	51%	0.505	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	13.3	177.6	0	0	0	0	0	115.8	R87 V97	R87-G99 PolarHBondContact NH1-O 3.14Å; V97-G99 PolarHBondContact O-N 2.85Å; V97-G99 VanDerWaalsContact O-N 3.12Å
100	D	71.2	Confident	62.5	Low	33 Å²	33	99.7 Å²	99.7	18%	0.176	51%	0.514	C	S	.	.			trans	-56.4	151.2	154.8	-72	-35.7	0	0	0	110.2	R74 R96 V97	R74-D100 IonicContact CZ-OD1 3.58Å; R74-D100 IonicContact CZ-OD2 3.82Å; R74-D100 IonicContact NH2-OD1 2.69Å; R74-D100 PolarHBondContact NH2-OD1 3.34Å; R74-D100 IonicContact NH2-OD2 2.72Å; R74-D100 PolarHBondContact NH2-OD2 3.25Å; R96-D100 VanDerWaalsContact CA-OD2 3.28Å; R96-D100 WeakPolarHBondContact CA-OD2 3.37Å; V97-D100 PolarHBondContact N-OD2 3.41Å; V97-D100 PolarHBondContact O-N 2.97Å; V97-D100 VanDerWaalsContact O-N 3.1Å
101	E	63.1	Low	60.9	Low	147 Å²	147	102.4 Å²	102.4	69%	0.687	53%	0.533	S	S	*	.			trans	-76.3	148.4	177.3	-67.1	173	152.3	0	0	110.9	K89 E103	K89-E101 IonicContact NZ-OE2 2.86Å; K89-E101 PolarHBondContact NZ-OE2 2.84Å; E101-E103 PolarHBondContact O-N 2.91Å; E101-E103 VanDerWaalsContact O-N 3.11Å
102	E	53.8	Low	59.4	Low	188 Å²	188	104.5 Å²	104.5	88%	0.879	54%	0.542	S	S	*	.			trans	-79.6	89.3	179.6	-67.7	-178.2	156.6	0	0	110.5
103	E	53.2	Low	57.9	Low	134 Å²	134	105.9 Å²	105.9	63%	0.626	55%	0.548	S	S	*	.			trans	-85	134.5	165.7	-69.2	179.4	141	0	0	110.8	R96 E101 D105	R96-E103 PolarHBondContact NH2-O 3.15Å; E101-E103 PolarHBondContact O-N 2.91Å; E101-E103 VanDerWaalsContact O-N 3.11Å; E103-D105 VanDerWaalsContact C-N 3.35Å; E103-D105 PolarHBondContact O-N 3Å
104	D	44.4	Very low	56.4	Low	159 Å²	159	113.7 Å²	113.7	85%	0.85	58%	0.577	S	S	*	*			trans	-82.1	4	-171	-78	-50.2	0	0	0	115.1
105	D	47.2	Very low	54.6	Low	136 Å²	136	124.1 Å²	124.1	73%	0.727	62%	0.617	S	S	*	*			trans	-74.7	129.3	-173.7	-86.8	-22.8	0	0	0	113.1	E103 D107	E103-D105 VanDerWaalsContact C-N 3.35Å; E103-D105 PolarHBondContact O-N 3Å; D105-D107 VanDerWaalsContact C-N 3.33Å; D105-D107 PolarHBondContact O-N 3.46Å
106	I	48.8	Very low	52.5	Low	140 Å²	140	124.1 Å²	124.1	72%	0.718	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-84	-7	-168	-61.4	171.1	0	0	0	112.7	D108	I106-D108 PolarHBondContact O-N 3.22Å
107	D	53.6	Low	50.4	Low	127 Å²	127	125.8 Å²	125.8	68%	0.679	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-87.9	-0.2	-163.4	-72.7	-6.5	0	0	0	116.3	D105	D105-D107 VanDerWaalsContact C-N 3.33Å; D105-D107 PolarHBondContact O-N 3.46Å
108	D	47.8	Very low	48.1	Very low	36 Å²	36	131.8 Å²	131.8	19%	0.193	68%	0.68	C	S	.	*	G	3₁₀ helix	trans	-102.4	2.7	-170.3	-95.3	3	0	0	0	115.1	R90 K92 I106 D110	R90-D108 IonicContact CZ-OD2 3.45Å; R90-D108 IonicContact NH1-OD2 2.89Å; R90-D108 PolarHBondContact NH1-OD2 3.2Å; R90-D108 IonicContact NH2-OD2 3.79Å; R90-D108 PolarHBondContact NH2-OD2 3.49Å; K92-D108 VanDerWaalsContact CE-OD1 3.24Å; K92-D108 WeakPolarHBondContact CE-OD1 3.23Å; I106-D108 PolarHBondContact O-N 3.22Å; D108-D110 VanDerWaalsContact C-N 3.34Å; D108-D110 PolarHBondContact O-N 3.28Å
109	L	47.6	Very low	46.3	Very low	107 Å²	107	126.9 Å²	126.9	56%	0.56	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-63.5	-26.4	-170.1	-83.3	165.8	0	0	0	115.9	N111	L109-N111 PolarHBondContact O-N 3.32Å; L109-N111 VanDerWaalsContact O-N 3.13Å
110	D	49.8	Very low	44.6	Very low	151 Å²	151	133 Å²	133	81%	0.807	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-70.2	-9.3	-171.9	-70.5	-26	0	0	0	114.3	D108	D108-D110 VanDerWaalsContact C-N 3.34Å; D108-D110 PolarHBondContact O-N 3.28Å
111	N	47.9	Very low	42.6	Very low	117 Å²	117	134.3 Å²	134.3	63%	0.626	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-111	0.7	-176.1	-69.7	-75.9	0	0	0	115.2	L109	L109-N111 PolarHBondContact O-N 3.32Å; L109-N111 VanDerWaalsContact O-N 3.13Å
112	E	47.7	Very low	41.1	Very low	86 Å²	86	136.6 Å²	136.6	40%	0.402	73%	0.725	S	S	.	*	S	Bend	trans	-86.3	-6	-178.1	-71.2	-166.1	143	0	0	114.5
113	F	38.3	Very low	40.1	Very low	168 Å²	168	133.2 Å²	133.2	74%	0.737	71%	0.713	S	S	*	*			trans	-134.8	32.5	-162.6	-67.9	-76	0	0	0	118.4
114	E	38	Very low	39.1	Very low	193 Å²	193	133.9 Å²	133.9	90%	0.902	72%	0.716	S	S	*	*			trans	-102	83.5	168.8	-69.4	-143	134.4	0	0	113.6
115	Y	33.9	Very low	38.7	Very low	222 Å²	222	133.3 Å²	133.3	87%	0.871	72%	0.718	S	S	*	*			trans	-81	120	157.7	-100.4	-96.5	0	0	0	109.2
116	G	29.3	Very low	38.2	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	72%	0.717	S	S	*	*			trans	-69.1	160.7	-160.1	0	0	0	0	0	117.2
117	N	31.7	Very low	37.5	Very low	161 Å²	161	132 Å²	132	86%	0.861	72%	0.716	S	S	*	*			trans	-140.8	136.4	168.7	-166.4	13.7	0	0	0	111.2
118	N	28.9	Very low	36.7	Very low	163 Å²	163	129.1 Å²	129.1	87%	0.872	72%	0.716	S	S	*	*			trans	-97.3	124.9	176.4	-76.6	-61.8	0	0	0	109.9
119	G	29.2	Very low	36.2	Very low	69 Å²	69	134.7 Å²	134.7	71%	0.711	74%	0.742	S	S	*	*			trans	171.8	93.8	171	0	0	0	0	0	119.9
120	I	30.5	Very low	35.6	Very low	178 Å²	178	133.8 Å²	133.8	91%	0.913	75%	0.745	S	S	*	*			trans	39.3	103.7	130.6	-49.9	169.6	0	0	0	119.3
121	G	30.6	Very low	34.8	Very low	61 Å²	61	134 Å²	134	63%	0.629	75%	0.745	S	S	*	*				101.7	148.9	115.5	0	0	0	0	0	122.1
122	F	30.1	Very low	34.1	Very low	195 Å²	195	134 Å²	134	86%	0.855	75%	0.754	S	S	*	*			trans	69.4	149.7	162.8	-72.5	-104.6	0	0	0	116.8
123	D	33.1	Very low	33.3	Very low	116 Å²	116	140.9 Å²	140.9	62%	0.62	78%	0.776	S	S	*	*			cis	-152.3	179.6	2.9	-145.6	-4.8	0	0	0	116.4
124	Q	33.2	Very low	33.1	Very low	149 Å²	149	144 Å²	144	70%	0.696	78%	0.783	S	S	*	*			trans	-42.9	160.8	175.8	-64.1	149.3	70.1	0	0	120.9
125	V	36.1	Very low	32.8	Very low	146 Å²	146	141.7 Å²	141.7	89%	0.885	78%	0.777	S	S	*	*			trans	-137.2	135.6	133.8	-178.2	0	0	0	0	112.2
126	S	35.9	Very low	32.8	Very low	103 Å²	103	137.1 Å²	137.1	72%	0.72	78%	0.777	S	S	*	*			trans	-55.8	175.2	-176	-40.6	0	0	0	0	119.7
127	E	34.7	Very low	33	Very low	147 Å²	147	137.1 Å²	137.1	69%	0.687	78%	0.777	S	S	*	*			cis	-138.4	-158.3	-6.8	-144.2	-149.8	121.2	0	0	109	M129	E127-M129 WeakPolarHBondContact OE1-CB 3.18Å; E127-M129 WeakPolarHBondContact OE2-CE 3.22Å
128	G	37.3	Very low	33	Very low	66 Å²	66	139.3 Å²	139.3	68%	0.68	78%	0.779	S	S	*	*			cis	171.4	-161	10.2	0	0	0	0	0	108.4
129	M	36.3	Very low	33.3	Very low	153 Å²	153	135.9 Å²	135.9	75%	0.754	77%	0.766	S	S	*	*			cis	-173.6	137.5	-20.9	176.3	-177.6	-93.9	0	0	106.4	E127	E127-M129 WeakPolarHBondContact OE1-CB 3.18Å; E127-M129 WeakPolarHBondContact OE2-CE 3.22Å
130	S	34.4	Very low	33.6	Very low	87 Å²	87	141.3 Å²	141.3	61%	0.608	77%	0.772	S	S	*	*			cis	-166.8	150.2	-21.7	-110.4	0	0	0	0	112.7
131	I	33.4	Very low	33.9	Very low	157 Å²	157	137.3 Å²	137.3	81%	0.805	76%	0.761	S	S	*	*			trans	72.9	117.8	144.2	-61.7	163.1	0	0	0	121.9
132	S	34.1	Very low	34.1	Very low	117 Å²	117	140.9 Å²	140.9	82%	0.818	77%	0.765	S	S	*	*				167.6	174	102.9	-148.4	0	0	0	0	115.5
133	R	29.5	Very low	34.5	Very low	229 Å²	229	138.5 Å²	138.5	86%	0.864	76%	0.761	S	S	*	*			trans	-132.4	150.6	-170.1	-59.4	171.2	172.2	172	-4.9	114.4
134	R	34.5	Very low	34.8	Very low	235 Å²	235	139.3 Å²	139.3	89%	0.887	77%	0.765	S	S	*	*				164.3	129.2	120.2	-92.1	173.5	173.9	-178.6	-0.6	117.6
135	N	32.9	Very low	34.8	Very low	144 Å²	144	137.3 Å²	137.3	77%	0.77	77%	0.767	S	S	*	*			trans	46.1	135.3	138.8	-66.1	21.4	0	0	0	126.6
136	S	33.1	Very low	34.4	Very low	126 Å²	126	134.4 Å²	134.4	88%	0.881	76%	0.759	S	S	*	*			trans	90.6	131.8	134.5	68.8	0	0	0	0	122.5
137	G	32.8	Very low	34.7	Very low	77 Å²	77	135.8 Å²	135.8	79%	0.794	77%	0.765	S	S	*	*			trans	144.5	95.5	164.1	0	0	0	0	0	117.3
138	F	33.2	Very low	34.5	Very low	208 Å²	208	135 Å²	135	91%	0.912	77%	0.773	S	S	*	*			trans	-69.8	176	174.4	-79.9	-107.8	0	0	0	114.4
139	P	35.4	Very low	34.2	Very low	91 Å²	91	135.7 Å²	135.7	59%	0.591	78%	0.78	S	S	*	*			cis	-147.1	-168.8	-42.9	43.8	-25.9	0	0	0	115.9
140	Q	33.9	Very low	33.9	Very low	182 Å²	182	134 Å²	134	85%	0.85	78%	0.783	S	S	*	*			trans	69.7	148.1	156.7	-77.6	171.5	-58.4	0	0	118.7
141	S	37.8	Very low	33.7	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	80%	0.798	S	S	*	*			cis	-145.9	150.7	4	56.2	0	0	0	0	113
142	D	35	Very low	33.6	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	80%	0.798	S	S	*	*			trans	32.1	130.6	134.2	-46	-23.9	0	0	0	119.1
143	L	38.5	Very low	33.3	Very low	145 Å²	145	139.5 Å²	139.5	76%	0.759	80%	0.797	S	S	*	*			cis	-153.9	177.8	7.8	-139.5	57.5	0	0	0	105.9
144	D	38	Very low	33.1	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	79%	0.794	S	S	*	*			cis	-151.8	-157.7	17.4	-154.6	-37.4	0	0	0	110.9
145	S	33.7	Very low	32.8	Very low	106 Å²	106	132 Å²	132	74%	0.741	79%	0.79	S	S	*	*			trans	-92.5	133.8	-157.9	43.7	0	0	0	0	116.5
146	A	28.5	Very low	32.5	Very low	86 Å²	86	130.8 Å²	130.8	71%	0.711	79%	0.788	S	S	*	*			trans	-141.3	133.7	148.8	0	0	0	0	0	108.3	P148	A146-P148 WeakPolarHBondContact O-CD 3.44Å
147	P	40.9	Very low	32.3	Very low	131 Å²	131	136.5 Å²	136.5	85%	0.851	79%	0.792	S	S	*	*			trans	-88.8	122.7	-177	32	-32	0	0	0	112.6
148	P	31.9	Very low	32.3	Very low	130 Å²	130	136.1 Å²	136.1	84%	0.844	79%	0.788	S	S	*	*			trans	-88.5	160.9	164.9	36.7	-33.6	0	0	0	111.1	A146	A146-P148 WeakPolarHBondContact O-CD 3.44Å
149	G	31	Very low	32.1	Very low	81 Å²	81	133.7 Å²	133.7	84%	0.835	78%	0.784	S	S	*	*			trans	170.7	97.9	172.6	0	0	0	0	0	114
150	S	29.2	Very low	32.1	Very low	117 Å²	117	137.4 Å²	137.4	82%	0.818	79%	0.794	S	S	*	*			trans	-90.7	122.4	171.4	53.9	0	0	0	0	111.2
151	Q	30.1	Very low	31.9	Very low	197 Å²	197	135.9 Å²	135.9	92%	0.921	79%	0.791	S	S	*	*			trans	-158.7	138.6	156.3	-113.3	162.8	20.4	0	0	110.7
152	I	30.7	Very low	31.6	Very low	159 Å²	159	136.8 Å²	136.8	82%	0.815	79%	0.793	S	S	*	*			trans	-102	137.5	177.8	-60.4	169.9	0	0	0	107.8
153	P	27.9	Very low	31.4	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	80%	0.796	S	S	*	*			trans	-116.4	137.9	142.6	-1.7	22.3	0	0	0	111.8
154	L	26	Very low	31.1	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	80%	0.8	S	S	*	*			trans	-80.9	-165.4	160.3	-149.2	77.4	0	0	0	109.3
155	L	27.5	Very low	30.7	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	80%	0.798	S	S	*	*			trans	104.4	98.1	179.1	-58.6	163.1	0	0	0	111.9
156	T	27.2	Very low	30.6	Very low	119 Å²	119	137.2 Å²	137.2	73%	0.73	80%	0.795	S	S	*	*				77	139	65.4	65.1	0	0	0	0	114.3
157	Y	29.2	Very low	30.7	Very low	247 Å²	247	140.1 Å²	140.1	97%	0.969	80%	0.799	S	S	*	*			trans	-89.8	163.3	-175.4	-79.9	-97.8	0	0	0	113.2
158	G	32.6	Very low	30.4	Very low	68 Å²	68	145.3 Å²	145.3	70%	0.701	80%	0.802	S	S	*	*			trans	133.2	148.8	166.1	0	0	0	0	0	111.1
159	D	30.2	Very low	30.4	Very low	158 Å²	158	148.5 Å²	148.5	85%	0.845	81%	0.805	S	S	*	*			cis	-162.6	-165.9	-28.8	-145.2	-36.7	0	0	0	106.7
160	E	33.7	Very low	30.5	Very low	169 Å²	169	149.1 Å²	149.1	79%	0.79	80%	0.802	S	S	*	*			trans	68.7	90.9	160.6	-67.2	176.1	-164.3	0	0	118.8
161	D	31.2	Very low	30.7	Very low	149 Å²	149	151.9 Å²	151.9	80%	0.797	81%	0.807	S	S	*	*				72.3	128.8	112.7	-79.1	-13.3	0	0	0	126.4
162	V	31.7	Very low	30.8	Very low	114 Å²	114	150.2 Å²	150.2	69%	0.691	80%	0.803	S	S	*	*			trans	80.8	113.8	132.5	173.4	0	0	0	0	121.4
163	E	29.3	Very low	30.8	Very low	173 Å²	173	148.8 Å²	148.8	81%	0.808	80%	0.801	S	S	*	*			trans	48.9	120.6	147.2	-62.5	180	178.3	0	0	122.1
164	I	32.7	Very low	31.1	Very low	161 Å²	161	148.5 Å²	148.5	83%	0.826	80%	0.799	S	S	*	*				-171.9	136.5	101	-93.2	161.7	0	0	0	112.9
165	S	30.1	Very low	31.6	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	80%	0.801	S	S	*	*			trans	-3	143.1	162.8	-166.9	0	0	0	0	123.8
166	S	31.1	Very low	31.8	Very low	97 Å²	97	145.4 Å²	145.4	68%	0.678	80%	0.8	S	S	*	*			trans	76	121.6	137.7	52.3	0	0	0	0	123.1
167	D	30.8	Very low	32.3	Very low	147 Å²	147	148.4 Å²	148.4	79%	0.786	81%	0.81	S	S	*	*			trans	42.2	108.4	137.4	-66.4	-10.1	0	0	0	121.2
168	R	34.6	Very low	32.5	Very low	240 Å²	240	140.5 Å²	140.5	91%	0.906	81%	0.805	S	S	*	*				-170.2	141.9	100	-97.2	148.4	-172.4	-168.9	1.6	113.6
169	H	32.1	Very low	32.5	Very low	198 Å²	198	140.7 Å²	140.7	92%	0.917	81%	0.806	S	S	*	*			trans	-75.7	131.2	164.3	-73.8	37.8	0	0	0	109.7
170	A	33.2	Very low	32.9	Very low	94 Å²	94	143 Å²	143	78%	0.777	81%	0.811	S	S	*	*			trans	-104.8	111.8	-180	0	0	0	0	0	112
171	L	32	Very low	32.9	Very low	175 Å²	175	138.5 Å²	138.5	92%	0.916	81%	0.811	S	S	*	*			trans	-111.4	128.1	158.6	-83.1	169.6	0	0	0	107.9
172	I	32.5	Very low	33.1	Very low	162 Å²	162	138.9 Å²	138.9	83%	0.831	81%	0.813	S	S	*	*			trans	-98.8	129.3	-175.2	-61.3	172.7	0	0	0	109.6
173	V	32.1	Very low	33.4	Very low	128 Å²	128	144.2 Å²	144.2	78%	0.776	82%	0.821	S	S	*	*			trans	-133.7	135.5	170.7	-177.9	0	0	0	0	108.3
174	P	32.7	Very low	33.5	Very low	115 Å²	115	141.6 Å²	141.6	75%	0.747	82%	0.816	S	S	*	*			trans	-69.9	155	-178.7	-19	33	0	0	0	113.9
175	P	37.1	Very low	33.7	Very low	129 Å²	129	142.7 Å²	142.7	84%	0.838	82%	0.818	S	S	*	*			trans	-84.3	162.9	-173.4	34.8	-37.1	0	0	0	114.2
176	S	32.1	Very low	33.9	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	82%	0.818	S	S	*	*			trans	-132.1	122.5	-179.6	61.3	0	0	0	0	113.7
177	L	36.9	Very low	33.9	Very low	182 Å²	182	145.1 Å²	145.1	95%	0.953	83%	0.826	S	S	*	*			trans	-123.3	142.2	153.9	-83.5	75.4	0	0	0	106.6
178	G	33.8	Very low	34.1	Very low	82 Å²	82	144 Å²	144	85%	0.845	83%	0.829	S	S	*	*			cis	166.5	154.1	-7.1	0	0	0	0	0	109.8
179	G	33.7	Very low	33.9	Very low	72 Å²	72	140.3 Å²	140.3	74%	0.742	83%	0.827	S	S	*	*			trans	145.7	98	168.9	0	0	0	0	0	118.3
180	H	37.1	Very low	33.9	Very low	205 Å²	205	136.3 Å²	136.3	95%	0.949	82%	0.821	S	S	*	*			trans	57.8	150	149.4	-63	-0.5	0	0	0	120.5
181	G	34.9	Very low	33.9	Very low	76 Å²	76	138.6 Å²	138.6	78%	0.784	82%	0.82	S	S	*	*			trans	-175.9	-46.4	176.7	0	0	0	0	0	117.9
182	N	35.6	Very low	34	Very low	156 Å²	156	136 Å²	136	83%	0.834	81%	0.814	S	S	*	*			trans	71.2	146.9	173.2	-103.9	-24.9	0	0	0	120.2
183	R	36.4	Very low	33.9	Very low	227 Å²	227	133.9 Å²	133.9	86%	0.857	81%	0.809	S	S	*	*			trans	65.4	110.1	166.8	-62.4	172.7	-178.3	171.2	0.1	116.8
184	V	31.8	Very low	34	Very low	117 Å²	117	134.5 Å²	134.5	71%	0.709	81%	0.812	S	S	*	*			cis	83.4	103.9	36.2	-174.3	0	0	0	0	114.5
185	H	36	Very low	34	Very low	185 Å²	185	133 Å²	133	86%	0.856	81%	0.809	S	S	*	*				-168.1	155.2	111	-96.9	-72.4	0	0	0	111.2
186	P	34.5	Very low	33.6	Very low	107 Å²	107	131.5 Å²	131.5	70%	0.695	81%	0.808	S	S	*	*			trans	-130.2	-175.6	-165.3	37	-16.9	0	0	0	116.6
187	V	32.4	Very low	33.7	Very low	139 Å²	139	134.7 Å²	134.7	84%	0.842	81%	0.81	S	S	*	*			trans	82	110.8	162.8	-173.1	0	0	0	0	118.5
188	S	33.8	Very low	33.4	Very low	122 Å²	122	131.9 Å²	131.9	85%	0.853	80%	0.803	S	S	*	*				-161.4	166.6	108	-159.7	0	0	0	0	111.4
189	L	31.7	Very low	33.3	Very low	163 Å²	163	139.4 Å²	139.4	85%	0.853	81%	0.806	S	S	*	*			trans	-132.8	115.9	-167.1	175	79.7	0	0	0	112
190	S	32.6	Very low	33.2	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	79%	0.792	S	S	*	*			trans	179.1	122.3	151.1	47.3	0	0	0	0	111.9
191	D	33	Very low	32.9	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	79%	0.791	S	S	*	*				153.2	127	115.3	-154.5	25.4	0	0	0	111.7
192	P	32.4	Very low	33	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	77%	0.772	S	S	*	*			trans	-106.5	73.7	-163	39.5	-33	0	0	0	115
193	T	32.1	Very low	33.1	Very low	119 Å²	119	136.4 Å²	136.4	73%	0.73	77%	0.771	S	S	*	*			trans	-135	62.9	179.4	54.8	0	0	0	0	115.5
194	V	34.6	Very low	33.6	Very low	140 Å²	140	134.7 Å²	134.7	85%	0.848	77%	0.773	S	S	*	*			trans	-131.6	110.4	166.8	-175.2	0	0	0	0	111.5
195	A	30.7	Very low	33.7	Very low	83 Å²	83	134.9 Å²	134.9	69%	0.686	76%	0.764	S	S	*	*			trans	-72.3	129.3	169.8	0	0	0	0	0	110.5	H197	A195-H197 PolarHBondContact O-N 3.28Å; A195-H197 VanDerWaalsContact O-N 3.14Å
196	A	30.4	Very low	33.9	Very low	99 Å²	99	131.5 Å²	131.5	82%	0.818	75%	0.753	S	S	*	*			trans	-74.2	104.7	-176.1	0	0	0	0	0	112	P198	A196-P198 WeakPolarHBondContact O-CD 3.28Å
197	H	32.8	Very low	33.7	Very low	178 Å²	178	131.1 Å²	131.1	82%	0.824	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-71.2	125.4	170.7	-71.9	-60.1	0	0	0	111.4	A195 R199	A195-H197 PolarHBondContact O-N 3.28Å; A195-H197 VanDerWaalsContact O-N 3.14Å; H197-R199 PolarHBondContact O-N 3.46Å
198	P	31.8	Very low	34.3	Very low	124 Å²	124	128 Å²	128	81%	0.805	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-65.2	123.1	175.3	-20.6	33	0	0	0	111.7	A196	A196-P198 WeakPolarHBondContact O-CD 3.28Å
199	R	30.3	Very low	34.7	Very low	239 Å²	239	126.2 Å²	126.2	90%	0.902	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-77.1	131.1	170	-74	-174.7	175.3	-176.3	0	110	H197	H197-R199 PolarHBondContact O-N 3.46Å
200	P	32.1	Very low	35.2	Very low	69 Å²	69	122.9 Å²	122.9	45%	0.448	69%	0.694	S	S	.	*	P	Polyproline II helix	trans	-71.3	145	174.8	29.7	-34.4	0	0	0	111.4	V202	P200-V202 PolarHBondContact O-N 2.87Å
201	M	31.8	Very low	35.8	Very low	188 Å²	188	119 Å²	119	93%	0.926	67%	0.672	S	S	*	*	S	Bend	trans	-61	-12.1	-177.4	-70.7	174	69.2	0	0	115.4
202	V	35.9	Very low	36.3	Very low	64 Å²	64	114 Å²	114	39%	0.388	64%	0.643	S	S	.	*			trans	-137.3	105.2	176.4	-178.4	0	0	0	0	109.2	P200 Q204 K205	P200-V202 PolarHBondContact O-N 2.87Å; V202-Q204 PolarHBondContact O-N 3.42Å; V202-K205 HydrophobicContact CG1-CG 4.29Å; V202-K205 PolarHBondContact O-N 3.08Å
203	P	39.2	Very low	37.2	Very low	126 Å²	126	111 Å²	111	82%	0.818	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-13.7	-175.3	-27.1	35.7	0	0	0	116.3
204	Q	45.5	Very low	38.4	Very low	191 Å²	191	107 Å²	107	89%	0.893	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	5.8	-175.5	-66.4	-178.8	-12.8	0	0	114.3	V202	V202-Q204 PolarHBondContact O-N 3.42Å
205	K	33.6	Very low	39.3	Very low	120 Å²	120	105.7 Å²	105.7	52%	0.522	60%	0.602	S	S	.	*	S	Bend	trans	-103.5	119.5	174	-83.9	-176.8	175.1	173.3	0	111.3	V202	V202-K205 HydrophobicContact CG1-CG 4.29Å; V202-K205 PolarHBondContact O-N 3.08Å
206	D	40.5	Very low	40.4	Very low	115 Å²	115	103.2 Å²	103.2	62%	0.615	58%	0.582	S	S	*	*			trans	-55.2	135	171.5	-173.9	-17.9	0	0	0	110.9	A208 V209	D206-A208 PolarHBondContact O-N 3.01Å; D206-A208 VanDerWaalsContact O-N 3.14Å; D206-A208 PolarHBondContact OD1-N 3.07Å; D206-A208 VanDerWaalsContact OD1-N 3.09Å; D206-V209 HydrophobicContact CB-CG2 4.29Å; D206-V209 VanDerWaalsContact O-CB 3.27Å; D206-V209 WeakPolarHBondContact O-CB 3.38Å; D206-V209 VanDerWaalsContact O-CG2 3.3Å; D206-V209 WeakPolarHBondContact O-CG2 3.45Å; D206-V209 PolarHBondContact O-N 3.38Å
207	L	31	Very low	41.7	Very low	98 Å²	98	101 Å²	101	51%	0.513	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-66.6	-14.5	-176.1	-156.3	70.4	0	0	0	112.8	V209 R220	L207-V209 PolarHBondContact O-N 3.42Å; L207-R220 PolarHBondContact O-NH1 3.37Å
208	A	45.3	Very low	43.1	Very low	75 Å²	75	98 Å²	98	62%	0.62	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-71.3	-10.6	168.6	0	0	0	0	0	114.1	D206	D206-A208 PolarHBondContact O-N 3.01Å; D206-A208 VanDerWaalsContact O-N 3.14Å; D206-A208 PolarHBondContact OD1-N 3.07Å; D206-A208 VanDerWaalsContact OD1-N 3.09Å
209	V	41.8	Very low	44.8	Very low	83 Å²	83	96.1 Å²	96.1	50%	0.503	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-76.3	-25	178.6	178.2	0	0	0	0	112.2	D206 L207 G211	D206-V209 HydrophobicContact CB-CG2 4.29Å; D206-V209 VanDerWaalsContact O-CB 3.27Å; D206-V209 WeakPolarHBondContact O-CB 3.38Å; D206-V209 VanDerWaalsContact O-CG2 3.3Å; D206-V209 WeakPolarHBondContact O-CG2 3.45Å; D206-V209 PolarHBondContact O-N 3.38Å; L207-V209 PolarHBondContact O-N 3.42Å; V209-G211 PolarHBondContact O-N 2.92Å
210	Y	41.2	Very low	46.6	Very low	94 Å²	94	88.9 Å²	88.9	37%	0.369	49%	0.493	S	S	.	.	S	Bend	trans	-83.6	92.9	171.8	-64	-86.1	0	0	0	109.6	R220	Y210-R220 PolarHBondContact O-NH2 3.32Å
211	G	46.5	Very low	48	Very low	34 Å²	34	86.5 Å²	86.5	35%	0.351	48%	0.476	S	S	.	.			trans	-90.8	-174.8	-172	0	0	0	0	0	116.1	V209 G213 S214	V209-G211 PolarHBondContact O-N 2.92Å; G211-G213 PolarHBondContact O-N 2.68Å; G211-S214 WeakPolarHBondContact O-CB 3.28Å; G211-S214 PolarHBondContact O-N 3.02Å; G211-S214 VanDerWaalsContact O-N 3.15Å; G211-S214 PolarHBondContact O-OG 3.03Å
212	Y	42.4	Very low	49.7	Very low	36 Å²	36	81.9 Å²	81.9	14%	0.141	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-35.5	122	177.5	-169.6	-104.3	0	0	0	115.2	W217 L336 D337 S340 K571	Y212-W217 HydrophobicContact CD2-CD2 4.38Å; Y212-W217 AromaticContact CD2-CE2 3.68Å; Y212-W217 HydrophobicContact CD2-CH2 4.49Å; Y212-W217 AromaticContact CD2-CZ2 3.76Å; Y212-W217 HydrophobicContact CD2-CZ2 3.76Å; Y212-W217 AromaticContact CD2-NE1 3.71Å; Y212-W217 AromaticContact CE2-CE2 3.92Å; Y212-W217 AromaticContact CE2-CH2 3.99Å; Y212-W217 HydrophobicContact CE2-CH2 3.99Å; Y212-W217 AromaticContact CE2-CZ2 3.48Å; Y212-W217 HydrophobicContact CE2-CZ2 3.48Å; Y212-W217 VanDerWaalsContact CE2-CZ2 3.48Å; Y212-L336 HydrophobicContact CD2-CB 4.45Å; Y212-L336 HydrophobicContact CG-CB 4.17Å; Y212-D337 VanDerWaalsContact CA-OD1 3.25Å; Y212-D337 WeakPolarHBondContact CA-OD1 3.34Å; Y212-D337 VanDerWaalsContact CB-OD1 3.28Å; Y212-D337 WeakPolarHBondContact CB-OD1 3.47Å; Y212-D337 PolarHBondContact N-OD1 3.35Å; Y212-S340 VanDerWaalsContact CE2-OG 3.3Å; Y212-S340 WeakPolarHBondContact CE2-OG 3.44Å; Y212-S340 PolarHBondContact OH-OG 2.81Å; Y212-K571 HydrophobicContact CD1-CD 4.35Å; Y212-K571 PolarHBondContact O-NZ 3.41Å
213	G	52.6	Low	51.4	Low	57 Å²	57	83.2 Å²	83.2	59%	0.588	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	5.3	178.8	0	0	0	0	0	115.8	G211	G211-G213 PolarHBondContact O-N 2.68Å
214	S	55.5	Low	52.5	Low	35 Å²	35	81 Å²	81	25%	0.245	43%	0.429	C	S	.	.	S	Bend	trans	-81.1	160.8	168.2	59.5	0	0	0	0	112.1	G211 A216 W217 K218	G211-S214 WeakPolarHBondContact O-CB 3.28Å; G211-S214 PolarHBondContact O-N 3.02Å; G211-S214 VanDerWaalsContact O-N 3.15Å; G211-S214 PolarHBondContact O-OG 3.03Å; S214-A216 PolarHBondContact O-N 3.39Å; S214-W217 WeakPolarHBondContact O-CA 3.4Å; S214-W217 WeakPolarHBondContact O-CB 3.47Å; S214-W217 PolarHBondContact O-N 2.68Å; S214-W217 PolarHBondContact OG-N 3.22Å; S214-K218 PolarHBondContact O-N 3.38Å
215	V	54.1	Low	53.3	Low	111 Å²	111	74.6 Å²	74.6	67%	0.673	40%	0.399	S	S	*	.	H	α-helix	trans	-55.2	-51.1	174.8	-175.6	0	0	0	0	110.2	W217 K218 D219	V215-W217 PolarHBondContact O-N 2.76Å; V215-K218 CarbonylContact O-C 3.57Å; V215-K218 WeakPolarHBondContact O-CA 3.36Å; V215-K218 WeakPolarHBondContact O-CB 3.35Å; V215-K218 PolarHBondContact O-N 3.12Å; V215-D219 PolarHBondContact O-N 2.58Å
216	A	54.1	Low	55.1	Low	32 Å²	32	75.9 Å²	75.9	26%	0.264	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-17.4	174.6	0	0	0	0	0	114.8	S214 D219 R220	S214-A216 PolarHBondContact O-N 3.39Å; A216-D219 WeakPolarHBondContact CA-OD2 3.48Å; A216-R220 WeakPolarHBondContact O-CG 3.19Å; A216-R220 PolarHBondContact O-NE 3.16Å; A216-R220 PolarHBondContact O-NH2 3.26Å
217	W	57.2	Low	56.7	Low	52 Å²	52	74.8 Å²	74.8	20%	0.197	39%	0.39	C	S	.	.	H	α-helix	trans	-78.4	-44.9	166.5	172.3	89.6	0	0	0	111.2	Y212 S214 V215 R220 M221 D337	Y212-W217 HydrophobicContact CD2-CD2 4.38Å; Y212-W217 AromaticContact CD2-CE2 3.68Å; Y212-W217 HydrophobicContact CD2-CH2 4.49Å; Y212-W217 AromaticContact CD2-CZ2 3.76Å; Y212-W217 HydrophobicContact CD2-CZ2 3.76Å; Y212-W217 AromaticContact CD2-NE1 3.71Å; Y212-W217 AromaticContact CE2-CE2 3.92Å; Y212-W217 AromaticContact CE2-CH2 3.99Å; Y212-W217 HydrophobicContact CE2-CH2 3.99Å; Y212-W217 AromaticContact CE2-CZ2 3.48Å; Y212-W217 HydrophobicContact CE2-CZ2 3.48Å; Y212-W217 VanDerWaalsContact CE2-CZ2 3.48Å; S214-W217 WeakPolarHBondContact O-CA 3.4Å; S214-W217 WeakPolarHBondContact O-CB 3.47Å; S214-W217 PolarHBondContact O-N 2.68Å; S214-W217 PolarHBondContact OG-N 3.22Å; V215-W217 PolarHBondContact O-N 2.76Å; W217-R220 PolarHBondContact O-N 2.95Å; W217-M221 HydrophobicContact CH2-CG 4.48Å; W217-M221 HydrophobicContact CZ2-CG 4.42Å; W217-M221 HydrophobicContact CZ2-SD 4.27Å; W217-M221 WeakPolarHBondContact O-CB 3.41Å; W217-M221 PolarHBondContact O-N 2.77Å; W217-D337 PolarHBondContact NE1-OD1 2.9Å; W217-D337 VanDerWaalsContact NE1-OD1 3.16Å
218	K	63.6	Low	58.1	Low	116 Å²	116	72 Å²	72	50%	0.504	37%	0.374	S	S	.	.	H	α-helix	trans	-57.9	-48.3	175	-177.4	-178.1	169.4	-176.9	0	111.4	S214 V215 R220 M221 E222	S214-K218 PolarHBondContact O-N 3.38Å; V215-K218 CarbonylContact O-C 3.57Å; V215-K218 WeakPolarHBondContact O-CA 3.36Å; V215-K218 WeakPolarHBondContact O-CB 3.35Å; V215-K218 PolarHBondContact O-N 3.12Å; K218-R220 PolarHBondContact O-N 3.34Å; K218-M221 WeakPolarHBondContact O-CA 3.44Å; K218-M221 WeakPolarHBondContact O-CB 3.47Å; K218-M221 PolarHBondContact O-N 3.49Å; K218-M221 VanDerWaalsContact O-N 3.08Å; K218-E222 WeakPolarHBondContact CE-OE1 3.24Å; K218-E222 IonicContact NZ-OE1 2.6Å; K218-E222 PolarHBondContact O-N 2.83Å
219	D	67.5	Low	58.9	Low	84 Å²	84	73.2 Å²	73.2	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-45.3	-179.8	-47.5	-27.8	0	0	0	111.5	V215 A216 M221 E222 E223	V215-D219 PolarHBondContact O-N 2.58Å; A216-D219 WeakPolarHBondContact CA-OD2 3.48Å; D219-M221 VanDerWaalsContact C-N 3.34Å; D219-M221 PolarHBondContact O-N 3.36Å; D219-E222 PolarHBondContact O-N 3.09Å; D219-E223 PolarHBondContact O-N 2.71Å
220	R	66.2	Low	60.1	Low	87 Å²	87	72.9 Å²	72.9	33%	0.328	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-35.3	175.2	-77.2	179.8	-64.8	-166.3	-0.7	112.5	L207 Y210 A216 W217 K218 W224	L207-R220 PolarHBondContact O-NH1 3.37Å; Y210-R220 PolarHBondContact O-NH2 3.32Å; A216-R220 WeakPolarHBondContact O-CG 3.19Å; A216-R220 PolarHBondContact O-NE 3.16Å; A216-R220 PolarHBondContact O-NH2 3.26Å; W217-R220 PolarHBondContact O-N 2.95Å; K218-R220 PolarHBondContact O-N 3.34Å; R220-W224 VanDerWaalsContact O-CB 3.31Å; R220-W224 WeakPolarHBondContact O-CB 3.33Å; R220-W224 PolarHBondContact O-N 3.02Å
221	M	61.4	Low	60.9	Low	19 Å²	19	74.7 Å²	74.7	9%	0.094	37%	0.373	C	S	.	.	H	α-helix	trans	-66.7	-41.8	175.7	-169.4	72.6	177.6	0	0	110.5	W217 K218 D219 W224 K225 L341	W217-M221 HydrophobicContact CH2-CG 4.48Å; W217-M221 HydrophobicContact CZ2-CG 4.42Å; W217-M221 HydrophobicContact CZ2-SD 4.27Å; W217-M221 WeakPolarHBondContact O-CB 3.41Å; W217-M221 PolarHBondContact O-N 2.77Å; K218-M221 WeakPolarHBondContact O-CA 3.44Å; K218-M221 WeakPolarHBondContact O-CB 3.47Å; K218-M221 PolarHBondContact O-N 3.49Å; K218-M221 VanDerWaalsContact O-N 3.08Å; D219-M221 VanDerWaalsContact C-N 3.34Å; D219-M221 PolarHBondContact O-N 3.36Å; M221-W224 PolarHBondContact O-N 2.97Å; M221-K225 VanDerWaalsContact O-CG 3.27Å; M221-K225 WeakPolarHBondContact O-CG 3.37Å; M221-K225 PolarHBondContact O-N 2.91Å; M221-L341 HydrophobicContact CE-CD2 3.9Å; M221-L341 HydrophobicContact SD-CD2 3.63Å; M221-L341 HydrophobicContact SD-CG 4.32Å
222	E	68.7	Low	61.1	Low	91 Å²	91	77.8 Å²	77.8	43%	0.425	38%	0.381	S	S	.	.	H	α-helix	trans	-68.5	-40.3	176.3	-71.7	174.7	-175.8	0	0	112.2	K218 D219 W224 K225 R226	K218-E222 WeakPolarHBondContact CE-OE1 3.24Å; K218-E222 IonicContact NZ-OE1 2.6Å; K218-E222 PolarHBondContact O-N 2.83Å; D219-E222 PolarHBondContact O-N 3.09Å; E222-W224 PolarHBondContact O-N 3.04Å; E222-K225 PolarHBondContact O-N 3.39Å; E222-R226 PolarHBondContact O-N 3.08Å
223	E	71.7	Confident	61.5	Low	91 Å²	91	82.2 Å²	82.2	43%	0.425	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-40	172.5	-161	-162.6	163.1	0	0	112.1	D219 R226 K227	D219-E223 PolarHBondContact O-N 2.71Å; E223-R226 PolarHBondContact O-N 2.6Å; E223-K227 WeakPolarHBondContact O-CG 3.36Å; E223-K227 PolarHBondContact O-N 3.4Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.71Å; E223-K227 PolarHBondContact OE1-NZ 2.85Å
224	W	61.6	Low	61.6	Low	79 Å²	79	83.3 Å²	83.3	30%	0.299	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-41.3	174.8	178.9	94.4	0	0	0	111.8	R220 M221 E222 R226 K227 Q228 E256 L341	R220-W224 VanDerWaalsContact O-CB 3.31Å; R220-W224 WeakPolarHBondContact O-CB 3.33Å; R220-W224 PolarHBondContact O-N 3.02Å; M221-W224 PolarHBondContact O-N 2.97Å; E222-W224 PolarHBondContact O-N 3.04Å; W224-R226 VanDerWaalsContact C-N 3.3Å; W224-R226 PolarHBondContact O-N 3.18Å; W224-K227 PolarHBondContact O-N 2.99Å; W224-Q228 HydrophobicContact CD2-CG 3.81Å; W224-Q228 HydrophobicContact CE3-CG 3.96Å; W224-Q228 HydrophobicContact CH2-CG 3.83Å; W224-Q228 HydrophobicContact CZ2-CG 3.68Å; W224-Q228 VanDerWaalsContact CZ2-NE2 3.32Å; W224-Q228 HydrophobicContact CZ3-CG 3.97Å; W224-Q228 WeakPolarHBondContact O-CG 3.37Å; W224-Q228 PolarHBondContact O-N 3.32Å; W224-E256 PolarHBondContact NE1-OE2 3.5Å; W224-L341 HydrophobicContact CD2-CD2 3.93Å; W224-L341 HydrophobicContact CE3-CD2 3.84Å; W224-L341 HydrophobicContact CH2-CD2 3.79Å; W224-L341 HydrophobicContact CZ2-CD2 3.87Å; W224-L341 HydrophobicContact CZ3-CD2 3.78Å
225	K	63.5	Low	61.2	Low	57 Å²	57	86.6 Å²	86.6	25%	0.248	42%	0.417	C	S	.	.	H	α-helix	trans	-56.5	-45	171.6	-73.5	173.3	-147.8	-172.3	0	111.1	M221 E222 K227 Q228 N229 E346	M221-K225 VanDerWaalsContact O-CG 3.27Å; M221-K225 WeakPolarHBondContact O-CG 3.37Å; M221-K225 PolarHBondContact O-N 2.91Å; E222-K225 PolarHBondContact O-N 3.39Å; K225-K227 PolarHBondContact O-N 3.49Å; K225-Q228 PolarHBondContact O-N 3.14Å; K225-N229 PolarHBondContact O-N 3.29Å; K225-E346 WeakPolarHBondContact CE-OE1 3.21Å; K225-E346 WeakPolarHBondContact CE-OE2 3.27Å; K225-E346 IonicContact NZ-OE1 2.7Å; K225-E346 PolarHBondContact NZ-OE1 2.87Å; K225-E346 IonicContact NZ-OE2 3.07Å; K225-E346 PolarHBondContact NZ-OE2 2.87Å
226	R	70.4	Confident	60.9	Low	147 Å²	147	90.8 Å²	90.8	56%	0.555	42%	0.421	S	S	*	.	H	α-helix	trans	-59.4	-47.8	177.9	-146.1	-169.1	77	-153.8	-1.1	110.8	E222 E223 W224 Q228 N229 E230	E222-R226 PolarHBondContact O-N 3.08Å; E223-R226 PolarHBondContact O-N 2.6Å; W224-R226 VanDerWaalsContact C-N 3.3Å; W224-R226 PolarHBondContact O-N 3.18Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; R226-Q228 PolarHBondContact O-N 3.29Å; R226-N229 PolarHBondContact O-N 3.22Å; R226-E230 IonicContact CZ-OE1 2.67Å; R226-E230 VanDerWaalsContact CZ-OE1 3.26Å; R226-E230 IonicContact NE-OE1 3.1Å; R226-E230 PolarHBondContact NE-OE1 3.41Å; R226-E230 IonicContact NH2-OE1 3.13Å; R226-E230 PolarHBondContact NH2-OE1 3.17Å; R226-E230 WeakPolarHBondContact O-CB 3.37Å; R226-E230 WeakPolarHBondContact O-CG 2.78Å; R226-E230 PolarHBondContact O-N 3.21Å
227	K	73.6	Confident	60.7	Low	92 Å²	92	97.5 Å²	97.5	40%	0.4	45%	0.446	S	S	.	.	H	α-helix	trans	-65.5	-29.4	176.7	-72.4	167.8	175.7	172.2	0	114.3	E223 W224 K225 E230 K231	E223-K227 WeakPolarHBondContact O-CG 3.36Å; E223-K227 PolarHBondContact O-N 3.4Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.71Å; E223-K227 PolarHBondContact OE1-NZ 2.85Å; W224-K227 PolarHBondContact O-N 2.99Å; K225-K227 PolarHBondContact O-N 3.49Å; K227-E230 WeakPolarHBondContact CA-OE2 3.46Å; K227-K231 WeakPolarHBondContact O-CB 3.28Å; K227-K231 WeakPolarHBondContact O-CG 3.43Å; K227-K231 PolarHBondContact O-N 2.84Å; K227-K231 VanDerWaalsContact O-N 3.15Å
228	Q	60.2	Low	60.3	Low	40 Å²	40	103 Å²	103	19%	0.187	47%	0.474	C	S	.	.	H	α-helix	trans	-73.1	-43.1	172.1	-73	-69.9	-14.3	0	0	111.3	W224 K225 R226 K231 L232	W224-Q228 HydrophobicContact CD2-CG 3.81Å; W224-Q228 HydrophobicContact CE3-CG 3.96Å; W224-Q228 HydrophobicContact CH2-CG 3.83Å; W224-Q228 HydrophobicContact CZ2-CG 3.68Å; W224-Q228 VanDerWaalsContact CZ2-NE2 3.32Å; W224-Q228 HydrophobicContact CZ3-CG 3.97Å; W224-Q228 WeakPolarHBondContact O-CG 3.37Å; W224-Q228 PolarHBondContact O-N 3.32Å; K225-Q228 PolarHBondContact O-N 3.14Å; R226-Q228 VanDerWaalsContact C-N 3.34Å; R226-Q228 PolarHBondContact O-N 3.29Å; Q228-K231 PolarHBondContact O-N 2.91Å; Q228-L232 WeakPolarHBondContact O-CB 3.48Å; Q228-L232 PolarHBondContact O-N 2.83Å
229	N	62.7	Low	58.9	Low	101 Å²	101	99.9 Å²	99.9	54%	0.54	48%	0.475	S	S	.	.	H	α-helix	trans	-65.3	-42.9	175.1	-74.5	-4.2	0	0	0	111.9	K225 R226 K231 L232 Q233	K225-N229 PolarHBondContact O-N 3.29Å; R226-N229 PolarHBondContact O-N 3.22Å; N229-K231 PolarHBondContact O-N 2.98Å; N229-L232 PolarHBondContact O-N 3.4Å; N229-Q233 WeakPolarHBondContact O-CB 3.46Å; N229-Q233 WeakPolarHBondContact O-CG 3.33Å; N229-Q233 PolarHBondContact O-N 2.85Å
230	E	67.5	Low	57.5	Low	76 Å²	76	102.3 Å²	102.3	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-53.8	-50.6	171.8	-74	162.4	-170.8	0	0	110.5	R226 K227 L232 Q233 V234	R226-E230 IonicContact CZ-OE1 2.67Å; R226-E230 VanDerWaalsContact CZ-OE1 3.26Å; R226-E230 IonicContact NE-OE1 3.1Å; R226-E230 PolarHBondContact NE-OE1 3.41Å; R226-E230 IonicContact NH2-OE1 3.13Å; R226-E230 PolarHBondContact NH2-OE1 3.17Å; R226-E230 WeakPolarHBondContact O-CB 3.37Å; R226-E230 WeakPolarHBondContact O-CG 2.78Å; R226-E230 PolarHBondContact O-N 3.21Å; K227-E230 WeakPolarHBondContact CA-OE2 3.46Å; E230-L232 PolarHBondContact O-N 3.22Å; E230-Q233 PolarHBondContact O-N 2.95Å; E230-V234 WeakPolarHBondContact O-CG2 3.27Å; E230-V234 PolarHBondContact O-N 3.32Å
231	K	58.8	Low	56.5	Low	131 Å²	131	103.5 Å²	103.5	57%	0.57	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-37.9	176.7	-77	178.7	177.4	-176.7	0	113.6	K227 Q228 N229 Q233 V234 V235	K227-K231 WeakPolarHBondContact O-CB 3.28Å; K227-K231 WeakPolarHBondContact O-CG 3.43Å; K227-K231 PolarHBondContact O-N 2.84Å; K227-K231 VanDerWaalsContact O-N 3.15Å; Q228-K231 PolarHBondContact O-N 2.91Å; N229-K231 PolarHBondContact O-N 2.98Å; K231-Q233 VanDerWaalsContact C-N 3.31Å; K231-V234 PolarHBondContact O-N 3.38Å; K231-V235 WeakPolarHBondContact O-CG2 3.47Å; K231-V235 PolarHBondContact O-N 3.23Å
232	L	50	Low	55.7	Low	100 Å²	100	109.1 Å²	109.1	52%	0.524	54%	0.538	S	S	.	.	H	α-helix	trans	-70.2	-29.9	178.5	-160.3	75	0	0	0	111.9	Q228 N229 E230 R236	Q228-L232 WeakPolarHBondContact O-CB 3.48Å; Q228-L232 PolarHBondContact O-N 2.83Å; N229-L232 PolarHBondContact O-N 3.4Å; E230-L232 PolarHBondContact O-N 3.22Å; L232-R236 WeakPolarHBondContact O-CB 3.32Å; L232-R236 VanDerWaalsContact O-CG 3.31Å; L232-R236 WeakPolarHBondContact O-CG 3.49Å; L232-R236 PolarHBondContact O-N 3.35Å
233	Q	51.6	Low	54.1	Low	128 Å²	128	114 Å²	114	60%	0.598	56%	0.558	S	S	*	*	H	α-helix	trans	-72.4	-43	171.5	-76.5	179.2	-30	0	0	112	N229 E230 K231 R236 H237	N229-Q233 WeakPolarHBondContact O-CB 3.46Å; N229-Q233 WeakPolarHBondContact O-CG 3.33Å; N229-Q233 PolarHBondContact O-N 2.85Å; E230-Q233 PolarHBondContact O-N 2.95Å; K231-Q233 VanDerWaalsContact C-N 3.31Å; Q233-R236 CarbonylContact O-C 3.57Å; Q233-R236 PolarHBondContact O-N 2.54Å; Q233-R236 VanDerWaalsContact O-N 3.14Å; Q233-H237 PolarHBondContact O-N 3.45Å; Q233-H237 VanDerWaalsContact O-N 3.08Å
234	V	53.7	Low	52.5	Low	80 Å²	80	118.8 Å²	118.8	49%	0.485	58%	0.58	S	S	.	*	H	α-helix	trans	-59.1	-49.7	175	172.1	0	0	0	0	111	E230 K231 R236 H237 E238	E230-V234 WeakPolarHBondContact O-CG2 3.27Å; E230-V234 PolarHBondContact O-N 3.32Å; K231-V234 PolarHBondContact O-N 3.38Å; V234-R236 PolarHBondContact O-N 3.03Å; V234-R236 VanDerWaalsContact O-N 3.16Å; V234-H237 PolarHBondContact O-N 3.1Å; V234-E238 PolarHBondContact O-N 2.9Å
235	V	48.1	Very low	51.2	Low	105 Å²	105	123.6 Å²	123.6	64%	0.636	61%	0.612	S	S	*	*	H	α-helix	trans	-63	-22.8	177.8	173.4	0	0	0	0	112.8	K231	K231-V235 WeakPolarHBondContact O-CG2 3.47Å; K231-V235 PolarHBondContact O-N 3.23Å
236	R	46	Very low	49.7	Very low	199 Å²	199	124.2 Å²	124.2	75%	0.751	63%	0.634	S	S	*	*	H	α-helix	trans	-86.6	-11.1	173.2	-80.1	179.2	168.5	-163.3	-5.5	114.7	L232 Q233 V234	L232-R236 WeakPolarHBondContact O-CB 3.32Å; L232-R236 VanDerWaalsContact O-CG 3.31Å; L232-R236 WeakPolarHBondContact O-CG 3.49Å; L232-R236 PolarHBondContact O-N 3.35Å; Q233-R236 CarbonylContact O-C 3.57Å; Q233-R236 PolarHBondContact O-N 2.54Å; Q233-R236 VanDerWaalsContact O-N 3.14Å; V234-R236 PolarHBondContact O-N 3.03Å; V234-R236 VanDerWaalsContact O-N 3.16Å
237	H	50.3	Low	47.8	Very low	172 Å²	172	125.8 Å²	125.8	80%	0.796	65%	0.654	S	S	*	*	H	α-helix	trans	-100.4	-11.2	176.6	-92.7	-69.8	0	0	0	113.7	Q233 V234	Q233-H237 PolarHBondContact O-N 3.45Å; Q233-H237 VanDerWaalsContact O-N 3.08Å; V234-H237 PolarHBondContact O-N 3.1Å
238	E	49.5	Very low	45.8	Very low	167 Å²	167	128.5 Å²	128.5	78%	0.78	67%	0.672	S	S	*	*	S	Bend	trans	-107.6	8.6	176.4	-62.2	-176.1	137.8	0	0	113.1	V234	V234-E238 PolarHBondContact O-N 2.9Å
239	G	34.1	Very low	44.3	Very low	52 Å²	52	130.2 Å²	130.2	54%	0.536	69%	0.693	S	S	.	*	S	Bend	trans	-108.8	130	179.2	0	0	0	0	0	112.8
240	D	38.5	Very low	42.8	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	71%	0.708	S	S	*	*			trans	-71.8	142.8	179.2	-147.7	11.6	0	0	0	111.1	D242	D240-D242 PolarHBondContact O-N 3.2Å
241	P	44.2	Very low	40.9	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	73%	0.732	S	S	*	*	S	Bend	trans	-72.5	-20.2	-170	-21.2	34.8	0	0	0	116.5	F243	P241-F243 PolarHBondContact O-N 2.9Å
242	D	45	Very low	39.7	Very low	138 Å²	138	137.9 Å²	137.9	74%	0.738	74%	0.74	S	S	*	*			trans	-95.3	42.7	-157.3	-69.1	-6.5	0	0	0	114.9	D240	D240-D242 PolarHBondContact O-N 3.2Å
243	F	35.4	Very low	39.1	Very low	193 Å²	193	139.2 Å²	139.2	85%	0.846	75%	0.745	S	S	*	*			trans	-119.8	95	172.6	-87	-86.8	0	0	0	112.7	P241	P241-F243 PolarHBondContact O-N 2.9Å
244	E	37.5	Very low	38.8	Very low	192 Å²	192	138.5 Å²	138.5	90%	0.897	74%	0.743	S	S	*	*			trans	-73.7	173	168.7	-64.7	-170.9	128	0	0	112.8	G246	E244-G246 PolarHBondContact O-N 3.24Å
245	D	34.6	Very low	38.6	Very low	180 Å²	180	140.2 Å²	140.2	96%	0.963	75%	0.75	S	S	*	*			trans	-28.1	119.5	-171.9	-89.1	-35.2	0	0	0	117.5
246	G	31.1	Very low	38.7	Very low	69 Å²	69	139.7 Å²	139.7	71%	0.711	74%	0.74	S	S	*	*			trans	-144.9	98.2	168.9	0	0	0	0	0	111.2	E244 D248	E244-G246 PolarHBondContact O-N 3.24Å; G246-D248 PolarHBondContact O-N 3.05Å
247	D	30.7	Very low	39.1	Very low	181 Å²	181	131.3 Å²	131.3	97%	0.968	72%	0.716	S	S	*	*			trans	-79.3	79	-176.7	-164	21	0	0	0	111
248	D	31.5	Very low	39.7	Very low	149 Å²	149	131.4 Å²	131.4	80%	0.797	71%	0.709	S	S	*	*			trans	-141.1	170.2	-174.8	-138.8	-29.5	0	0	0	115.1	G246	G246-D248 PolarHBondContact O-N 3.05Å
249	A	29.4	Very low	41	Very low	76 Å²	76	127.1 Å²	127.1	63%	0.628	69%	0.689	S	S	*	*			trans	-82	168.3	-153.4	0	0	0	0	0	118.1
250	D	30.8	Very low	43.4	Very low	157 Å²	157	128.2 Å²	128.2	84%	0.84	69%	0.687	S	S	*	*			trans	58.8	54.4	156.5	-76.1	-13.2	0	0	0	118.2	P252	D250-P252 WeakPolarHBondContact O-CD 3.39Å
251	F	28.8	Very low	45.8	Very low	198 Å²	198	121.8 Å²	121.8	87%	0.868	65%	0.652	S	S	*	*			trans	-50.6	122.9	151.1	-88.7	-77.7	0	0	0	110	M253	F251-M253 PolarHBondContact O-N 3.28Å
252	P	32.9	Very low	48	Very low	114 Å²	114	117.4 Å²	117.4	74%	0.74	62%	0.624	S	S	*	*			trans	-68.9	104.5	-175	26	-33.8	0	0	0	110.4	D250 M254	D250-P252 WeakPolarHBondContact O-CD 3.39Å; P252-M254 PolarHBondContact O-N 2.9Å
253	M	37.6	Very low	50.1	Low	127 Å²	127	118 Å²	118	63%	0.626	62%	0.616	S	S	*	*			trans	-54.5	110.9	170.4	-81.4	-155.8	74.4	0	0	109.6	F251	F251-M253 PolarHBondContact O-N 3.28Å
254	M	44.7	Very low	52.7	Low	114 Å²	114	112.6 Å²	112.6	56%	0.562	59%	0.592	S	S	*	*			trans	-47.2	144.6	179.5	-65.7	-177.9	177.1	0	0	111.4	P252 E256 G257	P252-M254 PolarHBondContact O-N 2.9Å; M254-E256 PolarHBondContact O-N 2.94Å; M254-G257 WeakPolarHBondContact O-CA 3.48Å; M254-G257 PolarHBondContact O-N 3.45Å
255	D	50	Low	55.2	Low	115 Å²	115	105.9 Å²	105.9	62%	0.615	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-62.1	-22.9	-164.8	-149.1	46.6	0	0	0	114	G257 R258	D255-G257 PolarHBondContact O-N 2.9Å; D255-R258 WeakPolarHBondContact O-CB 3.44Å; D255-R258 PolarHBondContact O-N 2.8Å; D255-R258 WeakPolarHBondContact OD1-CD 3.18Å; D255-R258 IonicContact OD1-CZ 3.26Å; D255-R258 IonicContact OD1-NH1 2.91Å; D255-R258 PolarHBondContact OD1-NH1 3.46Å
256	E	49.9	Very low	57.7	Low	94 Å²	94	102 Å²	102	44%	0.439	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.4	169.4	-57	-171.1	152	0	0	112.6	W224 M254 R258 Q259 R342	W224-E256 PolarHBondContact NE1-OE2 3.5Å; M254-E256 PolarHBondContact O-N 2.94Å; E256-R258 PolarHBondContact O-N 2.78Å; E256-Q259 PolarHBondContact O-N 2.67Å; E256-R342 PolarHBondContact O-NH2 3.08Å; E256-R342 VanDerWaalsContact O-NH2 3.13Å
257	G	54.7	Low	60.4	Low	23 Å²	23	99.6 Å²	99.6	24%	0.237	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-65	-14.6	172.7	0	0	0	0	0	114.7	M254 D255 R342	M254-G257 WeakPolarHBondContact O-CA 3.48Å; M254-G257 PolarHBondContact O-N 3.45Å; D255-G257 PolarHBondContact O-N 2.9Å; G257-R342 PolarHBondContact O-NE 3.28Å; G257-R342 PolarHBondContact O-NH1 3.39Å; G257-R342 PolarHBondContact O-NH2 2.85Å; G257-R342 VanDerWaalsContact O-NH2 3.1Å
258	R	62.9	Low	63.2	Low	175 Å²	175	98.9 Å²	98.9	66%	0.66	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-96.8	-9.4	176.4	-64.8	178.4	177.6	152.9	-5.6	114.1	D255 E256	D255-R258 WeakPolarHBondContact O-CB 3.44Å; D255-R258 PolarHBondContact O-N 2.8Å; D255-R258 WeakPolarHBondContact OD1-CD 3.18Å; D255-R258 IonicContact OD1-CZ 3.26Å; D255-R258 IonicContact OD1-NH1 2.91Å; D255-R258 PolarHBondContact OD1-NH1 3.46Å; E256-R258 PolarHBondContact O-N 2.78Å
259	Q	77.2	Confident	65.9	Low	76 Å²	76	95.7 Å²	95.7	36%	0.355	50%	0.495	S	S	.	.	S	Bend	trans	-61.2	144.9	-179.5	-66	-174.1	19.7	0	0	111.9	E256 L261 R342	E256-Q259 PolarHBondContact O-N 2.67Å; Q259-L261 PolarHBondContact O-N 3.05Å; Q259-R342 PolarHBondContact O-NH1 2.74Å; Q259-R342 PolarHBondContact O-NH2 2.77Å
260	P	84.2	Confident	68.8	Low	75 Å²	75	96.6 Å²	96.6	49%	0.487	50%	0.496	S	S	.	.			trans	-70.7	130.5	177.8	28.5	-34.1	0	0	0	111.6	S262 R338	P260-S262 VanDerWaalsContact C-N 3.29Å; P260-R338 WeakPolarHBondContact O-CD 3.04Å; P260-R338 PolarHBondContact O-NH1 2.96Å
261	L	88.7	Confident	71.5	Confident	0 Å²	0	93.4 Å²	93.4	0%	0	48%	0.475	C	S	.	.	S	Bend	trans	-73	-22.6	175.6	-60.4	178.6	0	0	0	112.7	Q259 Y335 R338 L339 Y343 C578 D582	Q259-L261 PolarHBondContact O-N 3.05Å; L261-Y335 PolarHBondContact O-N 3.19Å; L261-R338 HydrophobicContact CD2-CB 3.89Å; L261-R338 WeakPolarHBondContact CD2-O 3.44Å; L261-L339 HydrophobicContact CD1-CD1 4.05Å; L261-Y343 HydrophobicContact CD1-CE2 4.08Å; L261-C578 HydrophobicContact CB-CB 4.35Å; L261-C578 WeakPolarHBondContact CB-O 3.44Å; L261-D582 HydrophobicContact CD1-CB 4.49Å
262	S	90.3	Very high	74.5	Confident	19 Å²	19	84.3 Å²	84.3	13%	0.133	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.2	174.5	55.3	0	0	0	0	111.5	P260 E333 C578 F579	P260-S262 VanDerWaalsContact C-N 3.29Å; S262-E333 CarbonylContact C-O 3.57Å; S262-E333 WeakPolarHBondContact CA-O 3.49Å; S262-E333 VanDerWaalsContact CB-O 3.23Å; S262-E333 WeakPolarHBondContact CB-O 3.29Å; S262-C578 PolarHBondContact OG-O 2.7Å; S262-F579 VanDerWaalsContact OG-CD1 3.23Å; S262-F579 WeakPolarHBondContact OG-CD1 3.23Å; S262-F579 WeakPolarHBondContact OG-CE1 3.42Å
263	R	90.1	Very high	77.3	Confident	151 Å²	151	82.4 Å²	82.4	57%	0.57	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.5	179.3	-179.1	177.7	-171.4	-180	4.7	110.6	I265 R332 E333 Y335	R263-I265 HydrophobicContact CG-CG1 4.18Å; R263-R332 WeakPolarHBondContact O-CA 3.47Å; R263-E333 PolarHBondContact N-O 3.27Å; R263-E333 PolarHBondContact O-N 2.97Å; R263-Y335 HydrophobicContact CB-CE2 3.73Å; R263-Y335 WeakPolarHBondContact CB-OH 3.23Å; R263-Y335 WeakPolarHBondContact CD-OH 3.37Å
264	K	90.3	Very high	80	Confident	79 Å²	79	78.5 Å²	78.5	34%	0.343	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.3	164.5	-75.9	-179.5	166	-82.7	0	109.5	I330 R332 D623	K264-I330 HydrophobicContact CB-CG2 4.03Å; K264-I330 HydrophobicContact CD-CD1 4.42Å; K264-I330 HydrophobicContact CG-CG2 4.12Å; K264-R332 HydrophobicContact CG-CG 4.41Å; K264-D623 PolarHBondContact NZ-O 3.25Å; K264-D623 IonicContact NZ-OD2 3.75Å; K264-D623 PolarHBondContact NZ-OD2 3.48Å; K264-D623 VanDerWaalsContact NZ-OD2 3.08Å
265	I	88.6	Confident	82.3	Confident	52 Å²	52	73.1 Å²	73.1	27%	0.267	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108.3	177.3	-60.1	-175.2	0	0	0	107.4	R263 E331 E333	R263-I265 HydrophobicContact CG-CG1 4.18Å; I265-E331 PolarHBondContact N-O 3.41Å; I265-E331 PolarHBondContact O-N 3.3Å; I265-E331 VanDerWaalsContact O-O 3.13Å; I265-E333 HydrophobicContact CD1-CG 3.71Å; I265-E333 WeakPolarHBondContact CD1-OE1 3.4Å
266	P	86.8	Confident	84.3	Confident	97 Å²	97	70 Å²	70	63%	0.63	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	143.5	171.6	29.9	-33.5	0	0	0	109.4	K268	P266-K268 PolarHBondContact O-N 3.17Å
267	I	88.2	Confident	86.4	Confident	19 Å²	19	72.3 Å²	72.3	10%	0.097	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-58	136.2	171.7	-63	-168.3	0	0	0	109.2	S269 K271 I272 P329 W917	I267-S269 PolarHBondContact O-N 3.18Å; I267-K271 HydrophobicContact CG2-CB 4.29Å; I267-I272 HydrophobicContact CG2-CB 4.33Å; I267-P329 HydrophobicContact CD1-CB 3.81Å; I267-P329 HydrophobicContact CD1-CG 3.8Å; I267-P329 HydrophobicContact CG1-CB 4.45Å; I267-P329 HydrophobicContact CG1-CG 4.35Å; I267-W917 HydrophobicContact CD1-CB 4.36Å; I267-W917 HydrophobicContact CD1-CD2 4.06Å; I267-W917 HydrophobicContact CD1-CE3 3.35Å; I267-W917 HydrophobicContact CD1-CZ3 3.96Å; I267-W917 HydrophobicContact CG2-CB 4.19Å
268	K	89.8	Confident	88.3	Confident	167 Å²	167	72.9 Å²	72.9	73%	0.726	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-47.6	128.7	-176	-67.1	-172.5	178.3	-175.1	0	111.1	P266 S270 K271 I272	P266-K268 PolarHBondContact O-N 3.17Å; K268-S270 PolarHBondContact O-N 3.22Å; K268-K271 PolarHBondContact O-N 2.75Å; K268-I272 PolarHBondContact O-N 3.45Å
269	S	87.9	Confident	89.7	Confident	82 Å²	82	64.6 Å²	64.6	57%	0.573	34%	0.335	S	S	*	.	H	α-helix	trans	-50.6	-35.6	-175.4	-51.4	0	0	0	0	113.6	I267 K271 I272 N273	I267-S269 PolarHBondContact O-N 3.18Å; S269-K271 VanDerWaalsContact C-N 3.28Å; S269-K271 PolarHBondContact O-N 2.91Å; S269-I272 PolarHBondContact O-N 3.19Å; S269-N273 VanDerWaalsContact O-CB 3.23Å; S269-N273 WeakPolarHBondContact O-CB 3.28Å; S269-N273 VanDerWaalsContact O-CG 3.32Å; S269-N273 PolarHBondContact O-N 3.38Å
270	S	89.4	Confident	90.6	Very high	94 Å²	94	64.3 Å²	64.3	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-64	-23	177.6	51.8	0	0	0	0	115	K268 P274	K268-S270 PolarHBondContact O-N 3.22Å; S270-P274 WeakPolarHBondContact O-CD 3.31Å; S270-P274 VanDerWaalsContact O-CG 3.26Å; S270-P274 WeakPolarHBondContact O-CG 3.4Å
271	K	89.2	Confident	91.1	Very high	90 Å²	90	65 Å²	65	39%	0.391	34%	0.338	S	S	.	.	H	α-helix	trans	-93.1	-43.2	172.5	-71.6	-166.1	169.8	-171.1	0	112.4	I267 K268 S269 P274 Q916 W917	I267-K271 HydrophobicContact CG2-CB 4.29Å; K268-K271 PolarHBondContact O-N 2.75Å; S269-K271 VanDerWaalsContact C-N 3.28Å; S269-K271 PolarHBondContact O-N 2.91Å; K271-P274 WeakPolarHBondContact O-CD 3.37Å; K271-P274 WeakPolarHBondContact O-CG 3.5Å; K271-Q916 PolarHBondContact NZ-O 3.34Å; K271-W917 HydrophobicContact CB-CB 4.39Å; K271-W917 HydrophobicContact CD-CB 4.43Å
272	I	90.8	Very high	91.4	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.036	34%	0.344	C	S	.	.	H	α-helix	trans	-81.9	-29.3	-170.7	-167.3	62.9	0	0	0	113.8	I267 K268 S269 Y275 R276 P329	I267-I272 HydrophobicContact CG2-CB 4.33Å; K268-I272 PolarHBondContact O-N 3.45Å; S269-I272 PolarHBondContact O-N 3.19Å; I272-Y275 HydrophobicContact CD1-CD1 3.82Å; I272-Y275 HydrophobicContact CD1-CE1 4.46Å; I272-R276 WeakPolarHBondContact O-CG 3.48Å; I272-R276 PolarHBondContact O-N 2.79Å; I272-P329 HydrophobicContact CD1-CG 3.45Å; I272-P329 VanDerWaalsContact CD1-CG 3.45Å; I272-P329 HydrophobicContact CG1-CG 4.22Å
273	N	92.5	Very high	91.6	Very high	74 Å²	74	69 Å²	69	40%	0.396	36%	0.355	S	S	.	.	H	α-helix	trans	-68.6	-46.8	177.5	-69.6	-6	0	0	0	113.7	S269 Y275 R276 M277	S269-N273 VanDerWaalsContact O-CB 3.23Å; S269-N273 WeakPolarHBondContact O-CB 3.28Å; S269-N273 VanDerWaalsContact O-CG 3.32Å; S269-N273 PolarHBondContact O-N 3.38Å; N273-Y275 VanDerWaalsContact C-N 3.34Å; N273-Y275 PolarHBondContact O-N 2.75Å; N273-R276 PolarHBondContact O-N 2.95Å; N273-R276 PolarHBondContact OD1-NH1 2.98Å; N273-M277 WeakPolarHBondContact O-CG 3.3Å; N273-M277 PolarHBondContact O-N 3.31Å
274	P	93.4	Very high	91.8	Very high	46 Å²	46	65.6 Å²	65.6	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-63.8	-38	175.1	23.5	-32.8	0	0	0	112.2	S270 K271 R276 M277 L278 L913	S270-P274 WeakPolarHBondContact O-CD 3.31Å; S270-P274 VanDerWaalsContact O-CG 3.26Å; S270-P274 WeakPolarHBondContact O-CG 3.4Å; K271-P274 WeakPolarHBondContact O-CD 3.37Å; K271-P274 WeakPolarHBondContact O-CG 3.5Å; P274-R276 PolarHBondContact O-N 2.83Å; P274-M277 PolarHBondContact O-N 2.98Å; P274-L278 WeakPolarHBondContact O-CB 3.49Å; P274-L278 PolarHBondContact O-N 2.96Å; P274-L913 HydrophobicContact CB-CD1 4.14Å
275	Y	92.6	Very high	92.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-57.8	-46.5	173.8	176.2	-108.3	0	0	0	111.9	I272 N273 L278 I279 T910 L913 E914 W917	I272-Y275 HydrophobicContact CD1-CD1 3.82Å; I272-Y275 HydrophobicContact CD1-CE1 4.46Å; N273-Y275 VanDerWaalsContact C-N 3.34Å; N273-Y275 PolarHBondContact O-N 2.75Å; Y275-L278 PolarHBondContact O-N 3.29Å; Y275-I279 HydrophobicContact CD1-CD1 3.77Å; Y275-I279 HydrophobicContact CD2-CD1 4.35Å; Y275-I279 HydrophobicContact CE1-CD1 3.45Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.45Å; Y275-I279 HydrophobicContact CE2-CD1 4.03Å; Y275-I279 HydrophobicContact CE2-CG1 4.5Å; Y275-I279 HydrophobicContact CG-CD1 4.24Å; Y275-I279 WeakPolarHBondContact O-CG1 3.49Å; Y275-I279 PolarHBondContact O-N 3Å; Y275-T910 HydrophobicContact CD2-CG2 4.38Å; Y275-T910 HydrophobicContact CE2-CG2 4.02Å; Y275-L913 HydrophobicContact CD2-CB 4.06Å; Y275-E914 HydrophobicContact CE2-CB 3.79Å; Y275-E914 HydrophobicContact CE2-CG 3.94Å; Y275-E914 PolarHBondContact OH-OE1 2.56Å; Y275-W917 AromaticContact CD1-NE1 3.44Å; Y275-W917 AromaticContact CD2-NE1 3.69Å; Y275-W917 AromaticContact CE1-CE2 3.91Å; Y275-W917 AromaticContact CE1-CZ2 3.97Å; Y275-W917 HydrophobicContact CE1-CZ2 3.97Å; Y275-W917 AromaticContact CE1-NE1 3.3Å; Y275-W917 VanDerWaalsContact CE1-NE1 3.3Å; Y275-W917 AromaticContact CE2-NE1 3.6Å; Y275-W917 AromaticContact CG-CD1 3.98Å; Y275-W917 AromaticContact CG-NE1 3.62Å; Y275-W917 AromaticContact CZ-NE1 3.39Å
276	R	93.6	Very high	92.3	Very high	49 Å²	49	61.2 Å²	61.2	19%	0.185	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-44.4	174.3	-73.7	176	-176.8	133.1	4.4	113.1	I272 N273 P274 L278 I279 V280 W327	I272-R276 WeakPolarHBondContact O-CG 3.48Å; I272-R276 PolarHBondContact O-N 2.79Å; N273-R276 PolarHBondContact O-N 2.95Å; N273-R276 PolarHBondContact OD1-NH1 2.98Å; P274-R276 PolarHBondContact O-N 2.83Å; R276-L278 VanDerWaalsContact C-N 3.29Å; R276-L278 PolarHBondContact O-N 2.74Å; R276-I279 PolarHBondContact O-N 2.99Å; R276-V280 WeakPolarHBondContact O-CG2 3.36Å; R276-V280 PolarHBondContact O-N 2.85Å; R276-V280 VanDerWaalsContact O-N 3.12Å; R276-W327 HydrophobicContact CB-CH2 4.34Å; R276-W327 HydrophobicContact CB-CZ2 4.32Å; R276-W327 HydrophobicContact CG-CD2 4.25Å; R276-W327 HydrophobicContact CG-CZ2 4.21Å; R276-W327 PolarHBondContact NE-O 3.2Å; R276-W327 PolarHBondContact NH2-O 2.97Å
277	M	93.7	Very high	92.7	Very high	143 Å²	143	58.7 Å²	58.7	70%	0.704	32%	0.323	S	S	*	.	H	α-helix	trans	-60.8	-40.4	177.3	-74	174.5	163.9	0	0	111.5	N273 P274 V280 L281	N273-M277 WeakPolarHBondContact O-CG 3.3Å; N273-M277 PolarHBondContact O-N 3.31Å; P274-M277 PolarHBondContact O-N 2.98Å; M277-V280 PolarHBondContact O-N 2.86Å; M277-L281 WeakPolarHBondContact O-CB 3.41Å; M277-L281 PolarHBondContact O-N 3.21Å
278	L	93.5	Very high	93	Very high	35 Å²	35	61.3 Å²	61.3	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-73.8	-33	178.9	-80.4	155	0	0	0	113.5	P274 Y275 R276 L281 R282 I909 L913	P274-L278 WeakPolarHBondContact O-CB 3.49Å; P274-L278 PolarHBondContact O-N 2.96Å; Y275-L278 PolarHBondContact O-N 3.29Å; R276-L278 VanDerWaalsContact C-N 3.29Å; R276-L278 PolarHBondContact O-N 2.74Å; L278-L281 HydrophobicContact CD2-CD2 4.29Å; L278-L281 PolarHBondContact O-N 3.08Å; L278-R282 WeakPolarHBondContact O-CB 3.49Å; L278-R282 PolarHBondContact O-N 3.23Å; L278-I909 HydrophobicContact CD1-CG2 3.7Å; L278-I909 HydrophobicContact CD2-CG2 4.27Å; L278-L913 HydrophobicContact CD1-CD1 3.38Å
279	I	93.1	Very high	93.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-45.4	168.9	-70.6	164.1	0	0	0	110.6	Y275 R276 R282 L283 W319 W327 T910	Y275-I279 HydrophobicContact CD1-CD1 3.77Å; Y275-I279 HydrophobicContact CD2-CD1 4.35Å; Y275-I279 HydrophobicContact CE1-CD1 3.45Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.45Å; Y275-I279 HydrophobicContact CE2-CD1 4.03Å; Y275-I279 HydrophobicContact CE2-CG1 4.5Å; Y275-I279 HydrophobicContact CG-CD1 4.24Å; Y275-I279 WeakPolarHBondContact O-CG1 3.49Å; Y275-I279 PolarHBondContact O-N 3Å; R276-I279 PolarHBondContact O-N 2.99Å; I279-R282 PolarHBondContact O-N 3.21Å; I279-L283 WeakPolarHBondContact O-CB 3.41Å; I279-L283 PolarHBondContact O-N 2.9Å; I279-W319 HydrophobicContact CG2-CH2 4.41Å; I279-W327 HydrophobicContact CG2-CZ3 4.19Å; I279-T910 HydrophobicContact CG1-CG2 4.3Å
280	V	94.7	Very high	93.3	Very high	70 Å²	70	51.5 Å²	51.5	42%	0.424	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-43.5	177.9	175.4	0	0	0	0	111.1	R276 M277 L283 V284 W327	R276-V280 WeakPolarHBondContact O-CG2 3.36Å; R276-V280 PolarHBondContact O-N 2.85Å; R276-V280 VanDerWaalsContact O-N 3.12Å; M277-V280 PolarHBondContact O-N 2.86Å; V280-L283 WeakPolarHBondContact O-CB 3.49Å; V280-L283 PolarHBondContact O-N 3.39Å; V280-V284 WeakPolarHBondContact O-CG2 3.1Å; V280-V284 PolarHBondContact O-N 3.44Å; V280-W327 HydrophobicContact CG2-CH2 3.6Å; V280-W327 HydrophobicContact CG2-CZ3 4.03Å
281	L	95	Very high	93.5	Very high	91 Å²	91	52.6 Å²	52.6	48%	0.476	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-43.9	176	-178	59.9	0	0	0	111.6	M277 L278 L283 V284 I285	M277-L281 WeakPolarHBondContact O-CB 3.41Å; M277-L281 PolarHBondContact O-N 3.21Å; L278-L281 HydrophobicContact CD2-CD2 4.29Å; L278-L281 PolarHBondContact O-N 3.08Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.71Å; L281-V284 PolarHBondContact O-N 3.33Å; L281-I285 HydrophobicContact CD1-CD1 4.24Å; L281-I285 HydrophobicContact CD1-CG1 4.45Å; L281-I285 HydrophobicContact CG-CD1 3.87Å; L281-I285 VanDerWaalsContact O-CG1 3.3Å; L281-I285 WeakPolarHBondContact O-CG1 3.46Å; L281-I285 PolarHBondContact O-N 3.02Å
282	R	95.1	Very high	93.6	Very high	33 Å²	33	49.2 Å²	49.2	13%	0.125	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-37.2	175.1	179.7	168	166.7	-172.1	-2.2	112.1	L278 I279 I285 L286 W319 S906	L278-R282 WeakPolarHBondContact O-CB 3.49Å; L278-R282 PolarHBondContact O-N 3.23Å; I279-R282 PolarHBondContact O-N 3.21Å; R282-I285 PolarHBondContact O-N 3.4Å; R282-L286 HydrophobicContact CG-CD1 4.13Å; R282-L286 WeakPolarHBondContact O-CB 3.46Å; R282-L286 VanDerWaalsContact O-CG 3.29Å; R282-L286 WeakPolarHBondContact O-CG 3.46Å; R282-L286 PolarHBondContact O-N 2.98Å; R282-W319 HydrophobicContact CB-CH2 4.14Å; R282-W319 HydrophobicContact CB-CZ2 4.43Å; R282-W319 VanDerWaalsContact CD-CZ2 3.5Å; R282-W319 HydrophobicContact CG-CH2 3.74Å; R282-W319 HydrophobicContact CG-CZ2 3.86Å; R282-W319 VanDerWaalsContact CZ-CE2 3.43Å; R282-W319 VanDerWaalsContact NH2-NE1 3.12Å; R282-S906 WeakPolarHBondContact CG-OG 3.2Å
283	L	94.9	Very high	93.5	Very high	68 Å²	68	49.3 Å²	49.3	36%	0.356	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-39.4	173.7	-176.1	64.6	0	0	0	112	I279 V280 L281 G287 W319 V320 F324	I279-L283 WeakPolarHBondContact O-CB 3.41Å; I279-L283 PolarHBondContact O-N 2.9Å; V280-L283 WeakPolarHBondContact O-CB 3.49Å; V280-L283 PolarHBondContact O-N 3.39Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.71Å; L283-G287 PolarHBondContact O-N 2.85Å; L283-W319 HydrophobicContact CD1-CZ3 4.28Å; L283-V320 HydrophobicContact CD1-CG2 3.88Å; L283-F324 HydrophobicContact CD2-CE1 4.45Å; L283-F324 HydrophobicContact CD2-CZ 4.11Å
284	V	95.6	Very high	93.4	Very high	80 Å²	80	50.1 Å²	50.1	49%	0.485	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-44.3	173.7	172.8	0	0	0	0	111.4	V280 L281 L286 G287 L288	V280-V284 WeakPolarHBondContact O-CG2 3.1Å; V280-V284 PolarHBondContact O-N 3.44Å; L281-V284 PolarHBondContact O-N 3.33Å; V284-L286 VanDerWaalsContact C-N 3.34Å; V284-L286 PolarHBondContact O-N 3.24Å; V284-G287 PolarHBondContact O-N 3.06Å; V284-G287 VanDerWaalsContact O-N 3.16Å; V284-L288 HydrophobicContact CG1-CD1 4.3Å; V284-L288 WeakPolarHBondContact O-CG 3.33Å; V284-L288 PolarHBondContact O-N 3.23Å
285	I	95.2	Very high	93.3	Very high	20 Å²	20	53 Å²	53	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-43.6	176	-68.6	164	0	0	0	110.6	L281 R282 L288 F289 A902 L903	L281-I285 HydrophobicContact CD1-CD1 4.24Å; L281-I285 HydrophobicContact CD1-CG1 4.45Å; L281-I285 HydrophobicContact CG-CD1 3.87Å; L281-I285 VanDerWaalsContact O-CG1 3.3Å; L281-I285 WeakPolarHBondContact O-CG1 3.46Å; L281-I285 PolarHBondContact O-N 3.02Å; R282-I285 PolarHBondContact O-N 3.4Å; I285-L288 PolarHBondContact O-N 3.41Å; I285-F289 VanDerWaalsContact O-CB 3.27Å; I285-F289 WeakPolarHBondContact O-CB 3.28Å; I285-F289 PolarHBondContact O-N 3.08Å; I285-A902 HydrophobicContact CD1-CB 4.16Å; I285-A902 HydrophobicContact CG1-CB 4.46Å; I285-A902 HydrophobicContact CG2-CB 4.16Å; I285-L903 HydrophobicContact CG2-CB 4.03Å; I285-L903 HydrophobicContact CG2-CD1 4.46Å
286	L	93.8	Very high	93	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-42.9	173.4	-77.3	165.2	0	0	0	111.8	R282 V284 L288 F289 F290 W319 L903	R282-L286 HydrophobicContact CG-CD1 4.13Å; R282-L286 WeakPolarHBondContact O-CB 3.46Å; R282-L286 VanDerWaalsContact O-CG 3.29Å; R282-L286 WeakPolarHBondContact O-CG 3.46Å; R282-L286 PolarHBondContact O-N 2.98Å; V284-L286 VanDerWaalsContact C-N 3.34Å; V284-L286 PolarHBondContact O-N 3.24Å; L286-L288 PolarHBondContact O-N 3.5Å; L286-F289 WeakPolarHBondContact O-CB 3.35Å; L286-F289 PolarHBondContact O-N 3.49Å; L286-F290 HydrophobicContact CB-CD2 4.5Å; L286-F290 HydrophobicContact CB-CE2 4.35Å; L286-F290 HydrophobicContact CD2-CE2 4.02Å; L286-F290 WeakPolarHBondContact O-CD2 3.42Å; L286-F290 PolarHBondContact O-N 3.04Å; L286-W319 HydrophobicContact CD1-CD2 4.33Å; L286-W319 HydrophobicContact CD1-CE3 3.53Å; L286-W319 HydrophobicContact CD1-CH2 4.1Å; L286-W319 HydrophobicContact CD1-CZ3 3.39Å; L286-L903 HydrophobicContact CD2-CD1 3.63Å; L286-L903 HydrophobicContact CD2-CD2 4.44Å; L286-L903 HydrophobicContact CG-CD1 4.01Å
287	G	94.3	Very high	92.7	Very high	44 Å²	44	57.2 Å²	57.2	45%	0.454	31%	0.305	S	S	.	.	H	α-helix	trans	-58.7	-45.4	175.4	0	0	0	0	0	113	L283 V284 H291	L283-G287 PolarHBondContact O-N 2.85Å; V284-G287 PolarHBondContact O-N 3.06Å; V284-G287 VanDerWaalsContact O-N 3.16Å; G287-H291 WeakPolarHBondContact O-CB 3.27Å; G287-H291 PolarHBondContact O-N 3.01Å
288	L	93.8	Very high	92.3	Very high	74 Å²	74	51 Å²	51	39%	0.387	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-40.3	175	-66.8	173.3	0	0	0	112.1	V284 I285 L286 H291 Y292 L899	V284-L288 HydrophobicContact CG1-CD1 4.3Å; V284-L288 WeakPolarHBondContact O-CG 3.33Å; V284-L288 PolarHBondContact O-N 3.23Å; I285-L288 PolarHBondContact O-N 3.41Å; L286-L288 PolarHBondContact O-N 3.5Å; L288-H291 PolarHBondContact O-N 2.81Å; L288-Y292 WeakPolarHBondContact O-CB 3.44Å; L288-Y292 PolarHBondContact O-N 3.09Å; L288-L899 HydrophobicContact CB-CD2 3.88Å
289	F	93	Very high	91.6	Very high	13 Å²	13	58.1 Å²	58.1	6%	0.057	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-52.2	175.5	176.4	-95.4	0	0	0	111.4	I285 L286 H291 Y292 R293 F900 L903	I285-F289 VanDerWaalsContact O-CB 3.27Å; I285-F289 WeakPolarHBondContact O-CB 3.28Å; I285-F289 PolarHBondContact O-N 3.08Å; L286-F289 WeakPolarHBondContact O-CB 3.35Å; L286-F289 PolarHBondContact O-N 3.49Å; F289-H291 PolarHBondContact O-N 3.39Å; F289-Y292 PolarHBondContact O-N 3Å; F289-R293 WeakPolarHBondContact O-CB 3.42Å; F289-R293 PolarHBondContact O-N 2.87Å; F289-F900 AromaticContact CE2-CD1 3.9Å; F289-F900 HydrophobicContact CE2-CD1 3.9Å; F289-F900 AromaticContact CE2-CE1 3.53Å; F289-F900 HydrophobicContact CE2-CE1 3.53Å; F289-F900 HydrophobicContact CE2-CE2 4.48Å; F289-F900 AromaticContact CE2-CZ 3.85Å; F289-F900 HydrophobicContact CE2-CZ 3.85Å; F289-F900 HydrophobicContact CZ-CE1 4.03Å; F289-F900 HydrophobicContact CZ-CZ 4.39Å; F289-L903 HydrophobicContact CD1-CD2 4.35Å; F289-L903 HydrophobicContact CD2-CD2 4.03Å; F289-L903 HydrophobicContact CE2-CD2 4.23Å; F289-L903 HydrophobicContact CG-CD2 4.1Å; F289-L903 HydrophobicContact CZ-CD2 4.48Å
290	F	92.7	Very high	91.1	Very high	30 Å²	30	64.1 Å²	64.1	13%	0.132	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-37.9	177.8	-73.8	-63.1	0	0	0	112.8	L286 R293 I294 E312 I313 A316	L286-F290 HydrophobicContact CB-CD2 4.5Å; L286-F290 HydrophobicContact CB-CE2 4.35Å; L286-F290 HydrophobicContact CD2-CE2 4.02Å; L286-F290 WeakPolarHBondContact O-CD2 3.42Å; L286-F290 PolarHBondContact O-N 3.04Å; F290-R293 PolarHBondContact O-N 2.89Å; F290-I294 WeakPolarHBondContact O-CB 3.5Å; F290-I294 WeakPolarHBondContact O-CD1 3.38Å; F290-I294 VanDerWaalsContact O-CG1 3.23Å; F290-I294 WeakPolarHBondContact O-CG1 3.45Å; F290-I294 PolarHBondContact O-N 2.85Å; F290-E312 HydrophobicContact CE1-CB 3.74Å; F290-E312 HydrophobicContact CZ-CB 4.22Å; F290-E312 WeakPolarHBondContact CZ-O 3.46Å; F290-I313 HydrophobicContact CD1-CG1 3.66Å; F290-I313 HydrophobicContact CE1-CB 4.4Å; F290-I313 HydrophobicContact CE1-CG1 3.6Å; F290-I313 HydrophobicContact CG-CG1 4.47Å; F290-I313 HydrophobicContact CZ-CG1 4.38Å; F290-A316 HydrophobicContact CE2-CB 3.39Å; F290-A316 HydrophobicContact CZ-CB 3.59Å
291	H	92.7	Very high	90.5	Very high	116 Å²	116	61.1 Å²	61.1	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-48.8	174.8	-176.6	62.4	0	0	0	111.5	G287 L288 F289 L295	G287-H291 WeakPolarHBondContact O-CB 3.27Å; G287-H291 PolarHBondContact O-N 3.01Å; L288-H291 PolarHBondContact O-N 2.81Å; F289-H291 PolarHBondContact O-N 3.39Å; H291-L295 WeakPolarHBondContact O-CB 3.23Å; H291-L295 VanDerWaalsContact O-CG 3.29Å; H291-L295 WeakPolarHBondContact O-CG 3.14Å; H291-L295 PolarHBondContact O-N 3.27Å
292	Y	90.6	Very high	90.2	Very high	19 Å²	19	62.8 Å²	62.8	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-49	173.5	174.6	-98.8	0	0	0	111.8	L288 F289 I294 L295 H296 Y895 A896 L899	L288-Y292 WeakPolarHBondContact O-CB 3.44Å; L288-Y292 PolarHBondContact O-N 3.09Å; F289-Y292 PolarHBondContact O-N 3Å; Y292-I294 PolarHBondContact O-N 2.99Å; Y292-L295 PolarHBondContact O-N 3.16Å; Y292-H296 AromaticContact CD2-CE1 3.42Å; Y292-H296 VanDerWaalsContact CD2-CE1 3.42Å; Y292-H296 WeakPolarHBondContact CD2-CE1 3.42Å; Y292-H296 AromaticContact CD2-ND1 3.39Å; Y292-H296 WeakPolarHBondContact CD2-ND1 3.34Å; Y292-H296 AromaticContact CE2-CD2 3.89Å; Y292-H296 AromaticContact CE2-CE1 3.26Å; Y292-H296 WeakPolarHBondContact CE2-CE1 3.32Å; Y292-H296 AromaticContact CE2-CG 3.68Å; Y292-H296 AromaticContact CE2-ND1 3.26Å; Y292-H296 VanDerWaalsContact CE2-ND1 3.26Å; Y292-H296 WeakPolarHBondContact CE2-ND1 3.3Å; Y292-H296 AromaticContact CE2-NE2 3.62Å; Y292-H296 AromaticContact CZ-CG 3.84Å; Y292-H296 AromaticContact CZ-ND1 3.82Å; Y292-H296 PolarHBondContact O-N 3.2Å; Y292-H296 PolarHBondContact O-ND1 3.09Å; Y292-Y895 AromaticContact CD2-CD1 3.8Å; Y292-Y895 HydrophobicContact CD2-CD1 3.8Å; Y292-Y895 AromaticContact CD2-CE1 3.82Å; Y292-Y895 HydrophobicContact CD2-CE1 3.82Å; Y292-Y895 HydrophobicContact CE2-CD1 4.2Å; Y292-Y895 HydrophobicContact CG-CE1 4.29Å; Y292-A896 HydrophobicContact CE1-CB 3.67Å; Y292-A896 HydrophobicContact CE2-CB 4.38Å; Y292-L899 HydrophobicContact CD1-CD1 4.36Å; Y292-L899 HydrophobicContact CG-CD1 3.91Å
293	R	90.1	Very high	89.9	Confident	10 Å²	10	64.3 Å²	64.3	4%	0.038	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-43.7	-175.9	-168.8	75.7	166.8	123	0.1	112.6	F289 F290 H296 W305 S308 V309 E312 I888	F289-R293 WeakPolarHBondContact O-CB 3.42Å; F289-R293 PolarHBondContact O-N 2.87Å; F290-R293 PolarHBondContact O-N 2.89Å; R293-H296 PolarHBondContact O-N 3.42Å; R293-W305 WeakPolarHBondContact O-CZ2 3.25Å; R293-S308 PolarHBondContact NH2-OG 2.83Å; R293-V309 HydrophobicContact CG-CG2 3.65Å; R293-E312 IonicContact CZ-OE1 2.71Å; R293-E312 IonicContact CZ-OE2 3.67Å; R293-E312 IonicContact NE-OE1 3.48Å; R293-E312 PolarHBondContact NE-OE1 3.35Å; R293-E312 IonicContact NE-OE2 3.71Å; R293-E312 PolarHBondContact NE-OE2 2.87Å; R293-E312 IonicContact NH2-OE1 3.24Å; R293-E312 PolarHBondContact NH2-OE1 3.13Å; R293-E312 IonicContact NH2-OE2 3.58Å; R293-I888 PolarHBondContact NH1-O 2.85Å
294	I	90.5	Very high	89.7	Confident	91 Å²	91	62.5 Å²	62.5	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-70.3	-35.7	179.2	-68.6	166.7	0	0	0	111.5	F290 Y292 H296 V309 I313	F290-I294 WeakPolarHBondContact O-CB 3.5Å; F290-I294 WeakPolarHBondContact O-CD1 3.38Å; F290-I294 VanDerWaalsContact O-CG1 3.23Å; F290-I294 WeakPolarHBondContact O-CG1 3.45Å; F290-I294 PolarHBondContact O-N 2.85Å; Y292-I294 PolarHBondContact O-N 2.99Å; I294-H296 VanDerWaalsContact C-N 3.31Å; I294-H296 PolarHBondContact O-N 2.63Å; I294-V309 HydrophobicContact CG1-CG1 4.26Å; I294-I313 HydrophobicContact CD1-CD1 4.43Å
295	L	90.1	Very high	89.5	Confident	105 Å²	105	59.4 Å²	59.4	55%	0.55	31%	0.31	S	S	.	.	H	α-helix	trans	-73.6	-17.4	178.2	-72.6	176.3	0	0	0	114.2	H291 Y292 P297	H291-L295 WeakPolarHBondContact O-CB 3.23Å; H291-L295 VanDerWaalsContact O-CG 3.29Å; H291-L295 WeakPolarHBondContact O-CG 3.14Å; H291-L295 PolarHBondContact O-N 3.27Å; Y292-L295 PolarHBondContact O-N 3.16Å; L295-P297 VanDerWaalsContact O-CD 3.24Å; L295-P297 WeakPolarHBondContact O-CD 3.46Å
296	H	87.1	Confident	89.3	Confident	80 Å²	80	61.6 Å²	61.6	37%	0.37	32%	0.322	S	S	.	.	S	Bend	trans	-120.1	73	-175.9	-60.3	79.2	0	0	0	111.9	Y292 R293 I294 W305 P890	Y292-H296 AromaticContact CD2-CE1 3.42Å; Y292-H296 VanDerWaalsContact CD2-CE1 3.42Å; Y292-H296 WeakPolarHBondContact CD2-CE1 3.42Å; Y292-H296 AromaticContact CD2-ND1 3.39Å; Y292-H296 WeakPolarHBondContact CD2-ND1 3.34Å; Y292-H296 AromaticContact CE2-CD2 3.89Å; Y292-H296 AromaticContact CE2-CE1 3.26Å; Y292-H296 WeakPolarHBondContact CE2-CE1 3.32Å; Y292-H296 AromaticContact CE2-CG 3.68Å; Y292-H296 AromaticContact CE2-ND1 3.26Å; Y292-H296 VanDerWaalsContact CE2-ND1 3.26Å; Y292-H296 WeakPolarHBondContact CE2-ND1 3.3Å; Y292-H296 AromaticContact CE2-NE2 3.62Å; Y292-H296 AromaticContact CZ-CG 3.84Å; Y292-H296 AromaticContact CZ-ND1 3.82Å; Y292-H296 PolarHBondContact O-N 3.2Å; Y292-H296 PolarHBondContact O-ND1 3.09Å; R293-H296 PolarHBondContact O-N 3.42Å; I294-H296 VanDerWaalsContact C-N 3.31Å; I294-H296 PolarHBondContact O-N 2.63Å; H296-W305 PolarHBondContact O-NE1 3.32Å; H296-P890 HydrophobicContact CB-CG 4.36Å
297	P	86.6	Confident	89.2	Confident	58 Å²	58	64 Å²	64	38%	0.377	33%	0.334	S	S	.	.			trans	-72.4	132.3	175	30.1	-34.5	0	0	0	112.6	L295 K299 Y302 W305	L295-P297 VanDerWaalsContact O-CD 3.24Å; L295-P297 WeakPolarHBondContact O-CD 3.46Å; P297-K299 PolarHBondContact O-N 3.03Å; P297-Y302 HydrophobicContact CB-CD2 4.22Å; P297-Y302 HydrophobicContact CB-CE2 4.11Å; P297-W305 VanDerWaalsContact CA-CE2 3.5Å; P297-W305 HydrophobicContact CB-CD2 4.12Å; P297-W305 HydrophobicContact CB-CE3 4.14Å; P297-W305 HydrophobicContact CB-CH2 3.88Å; P297-W305 HydrophobicContact CB-CZ2 3.8Å; P297-W305 HydrophobicContact CB-CZ3 4.04Å
298	V	85.1	Confident	89.2	Confident	14 Å²	14	62.2 Å²	62.2	9%	0.085	31%	0.314	C	S	.	.			trans	-77.4	110.9	172.3	-177.4	0	0	0	0	108.8	A301 Y302 W305 I888 P890	V298-A301 HydrophobicContact CG1-CB 4Å; V298-A301 CarbonylContact O-C 3.58Å; V298-Y302 VanDerWaalsContact O-CA 3.23Å; V298-Y302 WeakPolarHBondContact O-CA 3.39Å; V298-Y302 PolarHBondContact O-N 3.14Å; V298-Y302 VanDerWaalsContact O-N 3.08Å; V298-W305 HydrophobicContact CB-CB 4.32Å; V298-I888 WeakPolarHBondContact CG2-O 3.19Å; V298-P890 HydrophobicContact CG2-CB 4.16Å; V298-P890 HydrophobicContact CG2-CG 4.42Å
299	K	80.5	Confident	89.1	Confident	183 Å²	183	59 Å²	59	80%	0.796	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-64.8	-45.4	-175.5	-66.4	-180	-179.4	175.9	0	112	P297 A301 Y302	P297-K299 PolarHBondContact O-N 3.03Å; K299-A301 PolarHBondContact O-N 3.44Å; K299-A301 VanDerWaalsContact O-N 3.13Å; K299-Y302 PolarHBondContact O-N 3.29Å
300	D	80.6	Confident	89.2	Confident	128 Å²	128	63 Å²	63	68%	0.684	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18.8	-172.9	-35.7	-59.5	0	0	0	113.1	K886	D300-K886 PolarHBondContact O-NZ 3.39Å
301	A	83.4	Confident	89.3	Confident	7 Å²	7	61.9 Å²	61.9	6%	0.058	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-133.4	28.1	-174.8	0	0	0	0	0	112.3	V298 K299 A303 L304 W305 K886	V298-A301 HydrophobicContact CG1-CB 4Å; V298-A301 CarbonylContact O-C 3.58Å; K299-A301 PolarHBondContact O-N 3.44Å; K299-A301 VanDerWaalsContact O-N 3.13Å; A301-A303 VanDerWaalsContact C-N 3.27Å; A301-A303 PolarHBondContact O-N 2.86Å; A301-L304 HydrophobicContact CB-CB 4.45Å; A301-L304 PolarHBondContact O-N 3.04Å; A301-W305 PolarHBondContact O-N 2.95Å; A301-K886 HydrophobicContact CB-CB 4.24Å; A301-K886 HydrophobicContact CB-CD 4.28Å
302	Y	88.2	Confident	89.3	Confident	125 Å²	125	57.5 Å²	57.5	49%	0.49	30%	0.295	S	S	.	.	H	α-helix	trans	-49.8	-40.6	-167.8	-174.9	-100.4	0	0	0	114.6	P297 V298 K299 W305 L306	P297-Y302 HydrophobicContact CB-CD2 4.22Å; P297-Y302 HydrophobicContact CB-CE2 4.11Å; V298-Y302 VanDerWaalsContact O-CA 3.23Å; V298-Y302 WeakPolarHBondContact O-CA 3.39Å; V298-Y302 PolarHBondContact O-N 3.14Å; V298-Y302 VanDerWaalsContact O-N 3.08Å; K299-Y302 PolarHBondContact O-N 3.29Å; Y302-W305 AromaticContact CD2-CE3 3.95Å; Y302-W305 HydrophobicContact CD2-CE3 3.95Å; Y302-W305 HydrophobicContact CD2-CZ3 4.25Å; Y302-W305 AromaticContact CE2-CE3 3.78Å; Y302-W305 HydrophobicContact CE2-CE3 3.78Å; Y302-W305 AromaticContact CE2-CZ3 3.6Å; Y302-W305 HydrophobicContact CE2-CZ3 3.6Å; Y302-W305 PolarHBondContact O-N 2.77Å; Y302-L306 HydrophobicContact CE1-CD2 4.24Å; Y302-L306 VanDerWaalsContact O-CB 3.26Å; Y302-L306 WeakPolarHBondContact O-CB 3.33Å; Y302-L306 PolarHBondContact O-N 2.75Å
303	A	89.8	Confident	89.5	Confident	65 Å²	65	59.7 Å²	59.7	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-43.6	176.6	0	0	0	0	0	113.2	A301 L306 I307	A301-A303 VanDerWaalsContact C-N 3.27Å; A301-A303 PolarHBondContact O-N 2.86Å; A303-L306 PolarHBondContact O-N 2.99Å; A303-I307 WeakPolarHBondContact O-CB 3.42Å; A303-I307 WeakPolarHBondContact O-CD1 3.46Å; A303-I307 VanDerWaalsContact O-CG1 3.22Å; A303-I307 WeakPolarHBondContact O-CG1 3.34Å; A303-I307 PolarHBondContact O-N 3.06Å
304	L	89.3	Confident	89.7	Confident	30 Å²	30	64.6 Å²	64.6	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-40.6	176.5	-65	174.1	0	0	0	111	A301 S308 L877 I880 K886	A301-L304 HydrophobicContact CB-CB 4.45Å; A301-L304 PolarHBondContact O-N 3.04Å; L304-S308 WeakPolarHBondContact O-CB 3.46Å; L304-S308 PolarHBondContact O-N 2.96Å; L304-L877 HydrophobicContact CD2-CD2 4.13Å; L304-I880 HydrophobicContact CD1-CG2 4.41Å; L304-I880 HydrophobicContact CD2-CG2 3.92Å; L304-K886 HydrophobicContact CD1-CB 4.27Å
305	W	91.6	Very high	89.9	Confident	15 Å²	15	62.4 Å²	62.4	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-50.2	172.9	171.5	91.8	0	0	0	111.6	R293 H296 P297 V298 A301 Y302 I307 S308 V309 I888	R293-W305 WeakPolarHBondContact O-CZ2 3.25Å; H296-W305 PolarHBondContact O-NE1 3.32Å; P297-W305 VanDerWaalsContact CA-CE2 3.5Å; P297-W305 HydrophobicContact CB-CD2 4.12Å; P297-W305 HydrophobicContact CB-CE3 4.14Å; P297-W305 HydrophobicContact CB-CH2 3.88Å; P297-W305 HydrophobicContact CB-CZ2 3.8Å; P297-W305 HydrophobicContact CB-CZ3 4.04Å; V298-W305 HydrophobicContact CB-CB 4.32Å; A301-W305 PolarHBondContact O-N 2.95Å; Y302-W305 AromaticContact CD2-CE3 3.95Å; Y302-W305 HydrophobicContact CD2-CE3 3.95Å; Y302-W305 HydrophobicContact CD2-CZ3 4.25Å; Y302-W305 AromaticContact CE2-CE3 3.78Å; Y302-W305 HydrophobicContact CE2-CE3 3.78Å; Y302-W305 AromaticContact CE2-CZ3 3.6Å; Y302-W305 HydrophobicContact CE2-CZ3 3.6Å; Y302-W305 PolarHBondContact O-N 2.77Å; W305-I307 PolarHBondContact O-N 3.49Å; W305-S308 WeakPolarHBondContact O-CB 3.28Å; W305-S308 PolarHBondContact O-N 3.33Å; W305-V309 HydrophobicContact CD2-CG2 4.22Å; W305-V309 HydrophobicContact CZ2-CG2 4.05Å; W305-V309 WeakPolarHBondContact O-CG2 3.41Å; W305-V309 PolarHBondContact O-N 3.44Å; W305-I888 HydrophobicContact CB-CG2 4.42Å
306	L	91.9	Very high	90.1	Very high	67 Å²	67	58.2 Å²	58.2	35%	0.351	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-44.7	-178.6	179.4	61.3	0	0	0	111.6	Y302 A303 S308 V309 I310	Y302-L306 HydrophobicContact CE1-CD2 4.24Å; Y302-L306 VanDerWaalsContact O-CB 3.26Å; Y302-L306 WeakPolarHBondContact O-CB 3.33Å; Y302-L306 PolarHBondContact O-N 2.75Å; A303-L306 PolarHBondContact O-N 2.99Å; L306-S308 PolarHBondContact O-N 3.26Å; L306-V309 PolarHBondContact O-N 3.19Å; L306-I310 HydrophobicContact CD1-CD1 4Å; L306-I310 HydrophobicContact CD1-CG1 4.4Å; L306-I310 HydrophobicContact CG-CD1 3.97Å; L306-I310 VanDerWaalsContact O-CG1 3.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.38Å; L306-I310 PolarHBondContact O-N 3.09Å
307	I	92.4	Very high	90.4	Very high	71 Å²	71	58.3 Å²	58.3	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-45.6	176	-71.1	166.4	0	0	0	110.8	A303 W305 I310 C311 V873 L877	A303-I307 WeakPolarHBondContact O-CB 3.42Å; A303-I307 WeakPolarHBondContact O-CD1 3.46Å; A303-I307 VanDerWaalsContact O-CG1 3.22Å; A303-I307 WeakPolarHBondContact O-CG1 3.34Å; A303-I307 PolarHBondContact O-N 3.06Å; W305-I307 PolarHBondContact O-N 3.49Å; I307-I310 PolarHBondContact O-N 3.39Å; I307-C311 PolarHBondContact O-N 2.68Å; I307-C311 PolarHBondContact O-SG 3.14Å; I307-V873 HydrophobicContact CG2-CG1 3.32Å; I307-L877 HydrophobicContact CG2-CD2 4.27Å
308	S	92.3	Very high	90.7	Very high	5 Å²	5	56.6 Å²	56.6	4%	0.035	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-48.1	177.5	-163.6	0	0	0	0	111.7	R293 L304 W305 L306 I310 C311 E312 I888	R293-S308 PolarHBondContact NH2-OG 2.83Å; L304-S308 WeakPolarHBondContact O-CB 3.46Å; L304-S308 PolarHBondContact O-N 2.96Å; W305-S308 WeakPolarHBondContact O-CB 3.28Å; W305-S308 PolarHBondContact O-N 3.33Å; L306-S308 PolarHBondContact O-N 3.26Å; S308-I310 VanDerWaalsContact C-N 3.32Å; S308-I310 PolarHBondContact O-N 3.01Å; S308-C311 PolarHBondContact O-N 3.27Å; S308-C311 VanDerWaalsContact O-N 3.12Å; S308-E312 WeakPolarHBondContact CB-OE1 3.36Å; S308-E312 WeakPolarHBondContact O-CB 3.32Å; S308-E312 WeakPolarHBondContact O-CG 3.23Å; S308-E312 PolarHBondContact O-N 3.38Å; S308-E312 PolarHBondContact OG-OE1 3.19Å; S308-I888 VanDerWaalsContact CB-CG2 3.41Å
309	V	93	Very high	91.1	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-37.8	179.7	173.6	0	0	0	0	111.8	R293 I294 W305 L306 E312 I313	R293-V309 HydrophobicContact CG-CG2 3.65Å; I294-V309 HydrophobicContact CG1-CG1 4.26Å; W305-V309 HydrophobicContact CD2-CG2 4.22Å; W305-V309 HydrophobicContact CZ2-CG2 4.05Å; W305-V309 WeakPolarHBondContact O-CG2 3.41Å; W305-V309 PolarHBondContact O-N 3.44Å; L306-V309 PolarHBondContact O-N 3.19Å; V309-E312 PolarHBondContact O-N 3.05Å; V309-I313 HydrophobicContact CG1-CD1 3.76Å; V309-I313 HydrophobicContact CG1-CG1 4.39Å; V309-I313 WeakPolarHBondContact O-CB 2.88Å; V309-I313 WeakPolarHBondContact O-CD1 3.32Å; V309-I313 WeakPolarHBondContact O-CG1 3.4Å; V309-I313 PolarHBondContact O-N 3.34Å
310	I	94	Very high	91.7	Very high	96 Å²	96	50.4 Å²	50.4	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-43.4	173.8	-69.9	166.1	0	0	0	111.2	L306 I307 S308 W314	L306-I310 HydrophobicContact CD1-CD1 4Å; L306-I310 HydrophobicContact CD1-CG1 4.4Å; L306-I310 HydrophobicContact CG-CD1 3.97Å; L306-I310 VanDerWaalsContact O-CG1 3.27Å; L306-I310 WeakPolarHBondContact O-CG1 3.38Å; L306-I310 PolarHBondContact O-N 3.09Å; I307-I310 PolarHBondContact O-N 3.39Å; S308-I310 VanDerWaalsContact C-N 3.32Å; S308-I310 PolarHBondContact O-N 3.01Å; I310-W314 PolarHBondContact O-N 2.93Å
311	C	94.9	Very high	92.3	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-45.7	176.4	-62.7	0	0	0	0	112.1	I307 S308 I313 W314 F315 P870 Y874	I307-C311 PolarHBondContact O-N 2.68Å; I307-C311 PolarHBondContact O-SG 3.14Å; S308-C311 PolarHBondContact O-N 3.27Å; S308-C311 VanDerWaalsContact O-N 3.12Å; C311-I313 VanDerWaalsContact C-N 3.35Å; C311-I313 PolarHBondContact O-N 3.47Å; C311-W314 PolarHBondContact O-N 3.23Å; C311-F315 HydrophobicContact CB-CE2 4.25Å; C311-F315 VanDerWaalsContact O-CD2 3.27Å; C311-F315 WeakPolarHBondContact O-CD2 3.39Å; C311-F315 WeakPolarHBondContact O-CG 3.44Å; C311-F315 PolarHBondContact O-N 3.17Å; C311-P870 HydrophobicContact CB-CB 3.99Å; C311-Y874 HydrophobicContact CB-CD2 4.17Å
312	E	93.9	Very high	92.6	Very high	23 Å²	23	47 Å²	47	11%	0.107	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-45.9	176.5	-69.3	161	-135.2	0	0	110.9	F290 R293 S308 V309 F315 A316 Y874	F290-E312 HydrophobicContact CE1-CB 3.74Å; F290-E312 HydrophobicContact CZ-CB 4.22Å; F290-E312 WeakPolarHBondContact CZ-O 3.46Å; R293-E312 IonicContact CZ-OE1 2.71Å; R293-E312 IonicContact CZ-OE2 3.67Å; R293-E312 IonicContact NE-OE1 3.48Å; R293-E312 PolarHBondContact NE-OE1 3.35Å; R293-E312 IonicContact NE-OE2 3.71Å; R293-E312 PolarHBondContact NE-OE2 2.87Å; R293-E312 IonicContact NH2-OE1 3.24Å; R293-E312 PolarHBondContact NH2-OE1 3.13Å; R293-E312 IonicContact NH2-OE2 3.58Å; S308-E312 WeakPolarHBondContact CB-OE1 3.36Å; S308-E312 WeakPolarHBondContact O-CB 3.32Å; S308-E312 WeakPolarHBondContact O-CG 3.23Å; S308-E312 PolarHBondContact O-N 3.38Å; S308-E312 PolarHBondContact OG-OE1 3.19Å; V309-E312 PolarHBondContact O-N 3.05Å; E312-F315 PolarHBondContact O-N 3.3Å; E312-A316 PolarHBondContact O-N 3.03Å; E312-Y874 HydrophobicContact CG-CE2 4.31Å
313	I	94.5	Very high	92.8	Very high	66 Å²	66	41.3 Å²	41.3	34%	0.338	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-43.3	176.2	-71.3	168.1	0	0	0	111.2	F290 I294 V309 C311 F315 A316 V317	F290-I313 HydrophobicContact CD1-CG1 3.66Å; F290-I313 HydrophobicContact CE1-CB 4.4Å; F290-I313 HydrophobicContact CE1-CG1 3.6Å; F290-I313 HydrophobicContact CG-CG1 4.47Å; F290-I313 HydrophobicContact CZ-CG1 4.38Å; I294-I313 HydrophobicContact CD1-CD1 4.43Å; V309-I313 HydrophobicContact CG1-CD1 3.76Å; V309-I313 HydrophobicContact CG1-CG1 4.39Å; V309-I313 WeakPolarHBondContact O-CB 2.88Å; V309-I313 WeakPolarHBondContact O-CD1 3.32Å; V309-I313 WeakPolarHBondContact O-CG1 3.4Å; V309-I313 PolarHBondContact O-N 3.34Å; C311-I313 VanDerWaalsContact C-N 3.35Å; C311-I313 PolarHBondContact O-N 3.47Å; I313-F315 PolarHBondContact O-N 3Å; I313-A316 PolarHBondContact O-N 3.41Å; I313-V317 WeakPolarHBondContact O-CG2 3.42Å; I313-V317 PolarHBondContact O-N 3.31Å
314	W	95.1	Very high	92.9	Very high	112 Å²	112	40.6 Å²	40.6	42%	0.424	21%	0.206	S	C	.	.	H	α-helix	trans	-61.6	-44.3	177.8	-167.7	-66.1	0	0	0	111.6	I310 C311 A316 V317 S318 W866 T867 P870	I310-W314 PolarHBondContact O-N 2.93Å; C311-W314 PolarHBondContact O-N 3.23Å; W314-A316 VanDerWaalsContact C-N 3.32Å; W314-A316 PolarHBondContact O-N 3.16Å; W314-V317 PolarHBondContact O-N 2.86Å; W314-S318 WeakPolarHBondContact O-CB 3.45Å; W314-S318 PolarHBondContact O-N 3.35Å; W314-W866 HydrophobicContact CZ2-CB 3.95Å; W314-T867 PolarHBondContact NE1-OG1 3.12Å; W314-P870 HydrophobicContact CB-CB 4.35Å; W314-P870 HydrophobicContact CB-CG 4.19Å; W314-P870 HydrophobicContact CD2-CG 4.14Å; W314-P870 HydrophobicContact CG-CB 4.4Å; W314-P870 HydrophobicContact CG-CG 3.74Å
315	F	94.5	Very high	93	Very high	45 Å²	45	39.4 Å²	39.4	20%	0.197	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-36.9	176	-60.4	-36.6	0	0	0	112.3	C311 E312 I313 S318 W319 T867 P870 L871 Y874	C311-F315 HydrophobicContact CB-CE2 4.25Å; C311-F315 VanDerWaalsContact O-CD2 3.27Å; C311-F315 WeakPolarHBondContact O-CD2 3.39Å; C311-F315 WeakPolarHBondContact O-CG 3.44Å; C311-F315 PolarHBondContact O-N 3.17Å; E312-F315 PolarHBondContact O-N 3.3Å; I313-F315 PolarHBondContact O-N 3Å; F315-S318 PolarHBondContact O-N 2.89Å; F315-W319 VanDerWaalsContact O-CB 3.26Å; F315-W319 WeakPolarHBondContact O-CB 3.41Å; F315-W319 PolarHBondContact O-N 2.93Å; F315-T867 HydrophobicContact CD1-CG2 3.87Å; F315-T867 HydrophobicContact CE1-CG2 3.9Å; F315-P870 HydrophobicContact CE1-CB 3.92Å; F315-P870 HydrophobicContact CE1-CG 3.94Å; F315-P870 HydrophobicContact CZ-CB 4.06Å; F315-L871 HydrophobicContact CE1-CB 4.39Å; F315-L871 HydrophobicContact CZ-CB 4.46Å; F315-L871 HydrophobicContact CZ-CD1 4.48Å; F315-Y874 AromaticContact CE2-CD1 3.89Å; F315-Y874 HydrophobicContact CE2-CD1 3.89Å; F315-Y874 AromaticContact CE2-CD2 3.94Å; F315-Y874 HydrophobicContact CE2-CD2 3.94Å; F315-Y874 HydrophobicContact CE2-CE1 4.44Å; F315-Y874 HydrophobicContact CE2-CE2 4.47Å; F315-Y874 AromaticContact CE2-CG 3.61Å; F315-Y874 HydrophobicContact CE2-CG 3.61Å; F315-Y874 HydrophobicContact CZ-CD1 4.47Å; F315-Y874 HydrophobicContact CZ-CG 4.18Å
316	A	94.2	Very high	93.1	Very high	18 Å²	18	39.1 Å²	39.1	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-40.7	174.6	0	0	0	0	0	112.6	F290 E312 I313 W314 W319 V320	F290-A316 HydrophobicContact CE2-CB 3.39Å; F290-A316 HydrophobicContact CZ-CB 3.59Å; E312-A316 PolarHBondContact O-N 3.03Å; I313-A316 PolarHBondContact O-N 3.41Å; W314-A316 VanDerWaalsContact C-N 3.32Å; W314-A316 PolarHBondContact O-N 3.16Å; A316-W319 PolarHBondContact O-N 3.36Å; A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 2.91Å
317	V	93.3	Very high	93.1	Very high	82 Å²	82	38.9 Å²	38.9	50%	0.497	19%	0.194	S	C	.	.	H	α-helix	trans	-63.7	-46	172.9	173.8	0	0	0	0	110.9	I313 W314 W319 V320 L321	I313-V317 WeakPolarHBondContact O-CG2 3.42Å; I313-V317 PolarHBondContact O-N 3.31Å; W314-V317 PolarHBondContact O-N 2.86Å; V317-W319 VanDerWaalsContact C-N 3.32Å; V317-W319 PolarHBondContact O-N 3.01Å; V317-V320 PolarHBondContact O-N 3.18Å; V317-L321 HydrophobicContact CG1-CD1 4.1Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 3.31Å
318	S	93.2	Very high	93	Very high	21 Å²	21	41.1 Å²	41.1	15%	0.147	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-40	177.1	-160.1	0	0	0	0	112	W314 F315 L321 D322 T867	W314-S318 WeakPolarHBondContact O-CB 3.45Å; W314-S318 PolarHBondContact O-N 3.35Å; F315-S318 PolarHBondContact O-N 2.89Å; S318-L321 PolarHBondContact O-N 3.27Å; S318-D322 PolarHBondContact O-N 2.89Å; S318-D322 VanDerWaalsContact O-N 3.09Å; S318-T867 PolarHBondContact OG-OG1 3.44Å
319	W	93.3	Very high	93	Very high	33 Å²	33	41.1 Å²	41.1	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-41.8	176.5	174.7	75.1	0	0	0	112.4	I279 R282 L283 L286 F315 A316 V317 L321 D322 Q323	I279-W319 HydrophobicContact CG2-CH2 4.41Å; R282-W319 HydrophobicContact CB-CH2 4.14Å; R282-W319 HydrophobicContact CB-CZ2 4.43Å; R282-W319 VanDerWaalsContact CD-CZ2 3.5Å; R282-W319 HydrophobicContact CG-CH2 3.74Å; R282-W319 HydrophobicContact CG-CZ2 3.86Å; R282-W319 VanDerWaalsContact CZ-CE2 3.43Å; R282-W319 VanDerWaalsContact NH2-NE1 3.12Å; L283-W319 HydrophobicContact CD1-CZ3 4.28Å; L286-W319 HydrophobicContact CD1-CD2 4.33Å; L286-W319 HydrophobicContact CD1-CE3 3.53Å; L286-W319 HydrophobicContact CD1-CH2 4.1Å; L286-W319 HydrophobicContact CD1-CZ3 3.39Å; F315-W319 VanDerWaalsContact O-CB 3.26Å; F315-W319 WeakPolarHBondContact O-CB 3.41Å; F315-W319 PolarHBondContact O-N 2.93Å; A316-W319 PolarHBondContact O-N 3.36Å; V317-W319 VanDerWaalsContact C-N 3.32Å; V317-W319 PolarHBondContact O-N 3.01Å; W319-L321 VanDerWaalsContact C-N 3.31Å; W319-L321 PolarHBondContact O-N 3.48Å; W319-D322 PolarHBondContact O-N 3.14Å; W319-Q323 HydrophobicContact CD2-CG 4.12Å; W319-Q323 HydrophobicContact CG-CG 4.26Å; W319-Q323 HydrophobicContact CZ2-CG 3.87Å; W319-Q323 VanDerWaalsContact NE1-CG 3.27Å; W319-Q323 WeakPolarHBondContact O-CB 3.21Å; W319-Q323 VanDerWaalsContact O-CG 3.28Å; W319-Q323 WeakPolarHBondContact O-CG 3.42Å; W319-Q323 PolarHBondContact O-N 3.01Å
320	V	92.9	Very high	93	Very high	34 Å²	34	42.4 Å²	42.4	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-40.7	174.1	166.7	0	0	0	0	111.4	L283 A316 V317 F324	L283-V320 HydrophobicContact CD1-CG2 3.88Å; A316-V320 WeakPolarHBondContact O-CG2 3.2Å; A316-V320 PolarHBondContact O-N 2.91Å; V317-V320 PolarHBondContact O-N 3.18Å; V320-F324 HydrophobicContact CG1-CD1 4.38Å; V320-F324 HydrophobicContact CG1-CD2 3.88Å; V320-F324 HydrophobicContact CG1-CE1 4.12Å; V320-F324 HydrophobicContact CG1-CE2 3.59Å; V320-F324 HydrophobicContact CG1-CG 4.28Å; V320-F324 HydrophobicContact CG1-CZ 3.72Å; V320-F324 WeakPolarHBondContact O-CB 3.3Å; V320-F324 WeakPolarHBondContact O-CG 3.48Å; V320-F324 PolarHBondContact O-N 3.48Å
321	L	91.9	Very high	92.8	Very high	27 Å²	27	40 Å²	40	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-31.2	177.7	-71.2	173.4	0	0	0	113.5	V317 S318 W319 P325 L856 I859 N860 V863	V317-L321 HydrophobicContact CG1-CD1 4.1Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 3.31Å; S318-L321 PolarHBondContact O-N 3.27Å; W319-L321 VanDerWaalsContact C-N 3.31Å; W319-L321 PolarHBondContact O-N 3.48Å; L321-P325 WeakPolarHBondContact O-CD 3.13Å; L321-P325 VanDerWaalsContact O-CG 3.29Å; L321-P325 WeakPolarHBondContact O-CG 3.19Å; L321-L856 HydrophobicContact CD2-CB 4.33Å; L321-L856 HydrophobicContact CD2-CD2 3.91Å; L321-I859 HydrophobicContact CD1-CG2 4.4Å; L321-N860 HydrophobicContact CB-CB 4.12Å; L321-V863 HydrophobicContact CD1-CG2 4.41Å
322	D	90.9	Very high	92.7	Very high	36 Å²	36	40.9 Å²	40.9	19%	0.193	19%	0.194	C	C	.	.	H	α-helix	trans	-76.4	-43.7	172.6	170.6	76.3	0	0	0	113.3	S318 W319 P325 K326	S318-D322 PolarHBondContact O-N 2.89Å; S318-D322 VanDerWaalsContact O-N 3.09Å; W319-D322 PolarHBondContact O-N 3.14Å; D322-P325 WeakPolarHBondContact O-CD 3.27Å; D322-K326 IonicContact OD1-NZ 2.71Å; D322-K326 VanDerWaalsContact OD2-CE 3.27Å; D322-K326 WeakPolarHBondContact OD2-CE 3.44Å; D322-K326 IonicContact OD2-NZ 3.41Å; D322-K326 PolarHBondContact OD2-NZ 2.86Å
323	Q	92.2	Very high	92.5	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-79	-33.8	-170.6	-67.2	-72.1	-70	0	0	114	W319 K326 E914	W319-Q323 HydrophobicContact CD2-CG 4.12Å; W319-Q323 HydrophobicContact CG-CG 4.26Å; W319-Q323 HydrophobicContact CZ2-CG 3.87Å; W319-Q323 VanDerWaalsContact NE1-CG 3.27Å; W319-Q323 WeakPolarHBondContact O-CB 3.21Å; W319-Q323 VanDerWaalsContact O-CG 3.28Å; W319-Q323 WeakPolarHBondContact O-CG 3.42Å; W319-Q323 PolarHBondContact O-N 3.01Å; Q323-K326 VanDerWaalsContact NE2-NZ 3.13Å; Q323-K326 WeakPolarHBondContact O-CB 3.48Å; Q323-K326 PolarHBondContact O-N 3.34Å; Q323-E914 PolarHBondContact NE2-OE1 3Å
324	F	92.5	Very high	92.4	Very high	49 Å²	49	42.1 Å²	42.1	22%	0.215	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-63.6	-38	-178.9	-75.2	7.4	0	0	0	113.2	L283 V320 K326 W327 L853 L856	L283-F324 HydrophobicContact CD2-CE1 4.45Å; L283-F324 HydrophobicContact CD2-CZ 4.11Å; V320-F324 HydrophobicContact CG1-CD1 4.38Å; V320-F324 HydrophobicContact CG1-CD2 3.88Å; V320-F324 HydrophobicContact CG1-CE1 4.12Å; V320-F324 HydrophobicContact CG1-CE2 3.59Å; V320-F324 HydrophobicContact CG1-CG 4.28Å; V320-F324 HydrophobicContact CG1-CZ 3.72Å; V320-F324 WeakPolarHBondContact O-CB 3.3Å; V320-F324 WeakPolarHBondContact O-CG 3.48Å; V320-F324 PolarHBondContact O-N 3.48Å; F324-K326 VanDerWaalsContact C-N 3.26Å; F324-K326 PolarHBondContact O-N 2.8Å; F324-W327 VanDerWaalsContact O-CB 3.3Å; F324-W327 WeakPolarHBondContact O-CB 3.47Å; F324-W327 PolarHBondContact O-N 2.7Å; F324-L853 HydrophobicContact CB-CD2 3.98Å; F324-L856 HydrophobicContact CD2-CD1 4.28Å
325	P	91.5	Very high	92.2	Very high	6 Å²	6	39 Å²	39	4%	0.039	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-57.2	-30.8	167.8	-29.2	36	0	0	0	115.3	L321 D322 W327 G621 L622 L625	L321-P325 WeakPolarHBondContact O-CD 3.13Å; L321-P325 VanDerWaalsContact O-CG 3.29Å; L321-P325 WeakPolarHBondContact O-CG 3.19Å; D322-P325 WeakPolarHBondContact O-CD 3.27Å; P325-W327 PolarHBondContact O-N 3.26Å; P325-G621 CarbonylContact O-C 3.54Å; P325-L622 HydrophobicContact CB-CD2 3.64Å; P325-L625 HydrophobicContact CB-CD1 4.36Å; P325-L625 WeakPolarHBondContact O-CD1 3.11Å
326	K	92.2	Very high	92	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.039	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-76.4	-1.2	-179.7	-62.3	172.2	174	175.7	0	114.4	D322 Q323 F324 Y328 P329 I617 N618 E914	D322-K326 IonicContact OD1-NZ 2.71Å; D322-K326 VanDerWaalsContact OD2-CE 3.27Å; D322-K326 WeakPolarHBondContact OD2-CE 3.44Å; D322-K326 IonicContact OD2-NZ 3.41Å; D322-K326 PolarHBondContact OD2-NZ 2.86Å; Q323-K326 VanDerWaalsContact NE2-NZ 3.13Å; Q323-K326 WeakPolarHBondContact O-CB 3.48Å; Q323-K326 PolarHBondContact O-N 3.34Å; F324-K326 VanDerWaalsContact C-N 3.26Å; F324-K326 PolarHBondContact O-N 2.8Å; K326-Y328 PolarHBondContact O-N 2.88Å; K326-P329 WeakPolarHBondContact O-CD 3.45Å; K326-I617 HydrophobicContact CD-CG2 4.3Å; K326-N618 WeakPolarHBondContact CE-OD1 3.33Å; K326-E914 VanDerWaalsContact CD-OE1 3.28Å; K326-E914 WeakPolarHBondContact CD-OE1 3.43Å; K326-E914 IonicContact NZ-OE1 3.57Å; K326-E914 PolarHBondContact NZ-OE1 2.74Å; K326-E914 IonicContact NZ-OE2 3.27Å
327	W	91.4	Very high	91.6	Very high	61 Å²	61	39.4 Å²	39.4	23%	0.231	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.7	-27.2	-167.8	-171.3	-80.2	0	0	0	115.7	R276 I279 V280 F324 P325 P329	R276-W327 HydrophobicContact CB-CH2 4.34Å; R276-W327 HydrophobicContact CB-CZ2 4.32Å; R276-W327 HydrophobicContact CG-CD2 4.25Å; R276-W327 HydrophobicContact CG-CZ2 4.21Å; R276-W327 PolarHBondContact NE-O 3.2Å; R276-W327 PolarHBondContact NH2-O 2.97Å; I279-W327 HydrophobicContact CG2-CZ3 4.19Å; V280-W327 HydrophobicContact CG2-CH2 3.6Å; V280-W327 HydrophobicContact CG2-CZ3 4.03Å; F324-W327 VanDerWaalsContact O-CB 3.3Å; F324-W327 WeakPolarHBondContact O-CB 3.47Å; F324-W327 PolarHBondContact O-N 2.7Å; P325-W327 PolarHBondContact O-N 3.26Å; W327-P329 VanDerWaalsContact C-CD 3.49Å; W327-P329 WeakPolarHBondContact O-CD 3.42Å
328	Y	91.1	Very high	91.4	Very high	119 Å²	119	39 Å²	39	47%	0.467	18%	0.18	S	C	.	.	S	Bend	trans	-124.6	62.4	-176.5	-70.6	-67.4	0	0	0	113	K326 G624 L625	K326-Y328 PolarHBondContact O-N 2.88Å; Y328-G624 WeakPolarHBondContact O-CA 3.4Å; Y328-L625 HydrophobicContact CD2-CD2 4.12Å
329	P	92.7	Very high	91.2	Very high	5 Å²	5	38 Å²	38	3%	0.032	17%	0.173	C	C	.	.			trans	-72.7	139.5	-177.1	31.8	-33.3	0	0	0	112	I267 I272 K326 W327 K620 W917	I267-P329 HydrophobicContact CD1-CB 3.81Å; I267-P329 HydrophobicContact CD1-CG 3.8Å; I267-P329 HydrophobicContact CG1-CB 4.45Å; I267-P329 HydrophobicContact CG1-CG 4.35Å; I272-P329 HydrophobicContact CD1-CG 3.45Å; I272-P329 VanDerWaalsContact CD1-CG 3.45Å; I272-P329 HydrophobicContact CG1-CG 4.22Å; K326-P329 WeakPolarHBondContact O-CD 3.45Å; W327-P329 VanDerWaalsContact C-CD 3.49Å; W327-P329 WeakPolarHBondContact O-CD 3.42Å; P329-K620 VanDerWaalsContact CA-O 3.31Å; P329-K620 WeakPolarHBondContact CA-O 3.35Å; P329-W917 HydrophobicContact CB-CE3 4.31Å; P329-W917 HydrophobicContact CB-CH2 3.81Å; P329-W917 HydrophobicContact CB-CZ3 3.7Å; P329-W917 HydrophobicContact CG-CE3 4.37Å; P329-W917 HydrophobicContact CG-CH2 4.11Å; P329-W917 HydrophobicContact CG-CZ2 4.34Å; P329-W917 HydrophobicContact CG-CZ3 4.14Å
330	I	92.2	Very high	90.9	Very high	34 Å²	34	36.7 Å²	36.7	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138	-178.3	-62.3	-171.4	0	0	0	109.6	K264 R332 K620	K264-I330 HydrophobicContact CB-CG2 4.03Å; K264-I330 HydrophobicContact CD-CD1 4.42Å; K264-I330 HydrophobicContact CG-CG2 4.12Å; I330-R332 HydrophobicContact CG2-CG 4.39Å; I330-K620 PolarHBondContact N-O 3.35Å; I330-K620 VanDerWaalsContact N-O 3.11Å
331	E	91.1	Very high	90.5	Very high	45 Å²	45	37.8 Å²	37.8	21%	0.21	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	157.3	164.7	-62.7	-165.9	133.8	0	0	109.4	I265 K620 K919	I265-E331 PolarHBondContact N-O 3.41Å; I265-E331 PolarHBondContact O-N 3.3Å; I265-E331 VanDerWaalsContact O-O 3.13Å; E331-K620 HydrophobicContact CG-CD 4.15Å; E331-K620 IonicContact OE1-NZ 2.7Å; E331-K620 PolarHBondContact OE1-NZ 2.84Å; E331-K620 VanDerWaalsContact OE1-NZ 3.13Å; E331-K919 IonicContact OE1-NZ 3.24Å; E331-K919 PolarHBondContact OE1-NZ 3.37Å; E331-K919 IonicContact OE2-NZ 3.08Å; E331-K919 PolarHBondContact OE2-NZ 3.39Å
332	R	91.9	Very high	90.2	Very high	27 Å²	27	38.2 Å²	38.2	10%	0.102	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.9	-177.4	-62.3	-165.8	-173.9	-157.8	18.5	112.4	R263 K264 I330 F579 D623 V800	R263-R332 WeakPolarHBondContact O-CA 3.47Å; K264-R332 HydrophobicContact CG-CG 4.41Å; I330-R332 HydrophobicContact CG2-CG 4.39Å; R332-F579 HydrophobicContact CB-CE1 4.39Å; R332-F579 HydrophobicContact CB-CZ 4.21Å; R332-D623 IonicContact CZ-OD1 2.71Å; R332-D623 VanDerWaalsContact CZ-OD1 3.23Å; R332-D623 IonicContact CZ-OD2 3.98Å; R332-D623 VanDerWaalsContact CZ-OD2 3.24Å; R332-D623 VanDerWaalsContact NE-CG 3.31Å; R332-D623 IonicContact NE-OD1 3.84Å; R332-D623 PolarHBondContact NE-OD1 3.09Å; R332-D623 VanDerWaalsContact NE-OD1 3.14Å; R332-D623 IonicContact NE-OD2 2.91Å; R332-D623 PolarHBondContact NE-OD2 3.12Å; R332-D623 IonicContact NH2-OD1 3.57Å; R332-D623 PolarHBondContact NH2-OD1 3.11Å; R332-D623 IonicContact NH2-OD2 3.78Å; R332-D623 PolarHBondContact NH2-OD2 3.16Å; R332-V800 VanDerWaalsContact CZ-CG1 3.42Å; R332-V800 VanDerWaalsContact NH1-CG2 3.27Å
333	E	90.8	Very high	90	Very high	85 Å²	85	38.8 Å²	38.8	40%	0.397	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.1	170.6	-73.5	179.5	172.6	0	0	110.8	S262 R263 I265 Y335	S262-E333 CarbonylContact C-O 3.57Å; S262-E333 WeakPolarHBondContact CA-O 3.49Å; S262-E333 VanDerWaalsContact CB-O 3.23Å; S262-E333 WeakPolarHBondContact CB-O 3.29Å; R263-E333 PolarHBondContact N-O 3.27Å; R263-E333 PolarHBondContact O-N 2.97Å; I265-E333 HydrophobicContact CD1-CG 3.71Å; I265-E333 WeakPolarHBondContact CD1-OE1 3.4Å; E333-Y335 HydrophobicContact CB-CE1 4.19Å; E333-Y335 PolarHBondContact OE2-OH 3.39Å
334	T	92.1	Very high	89.6	Confident	30 Å²	30	40.3 Å²	40.3	18%	0.184	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.4	172.9	43.7	0	0	0	0	109.4	E575 C578 F579	T334-E575 HydrophobicContact CG2-CB 4.39Å; T334-C578 HydrophobicContact CG2-CB 3.79Å; T334-F579 HydrophobicContact CG2-CD2 4.22Å; T334-F579 HydrophobicContact CG2-CE1 4.33Å; T334-F579 HydrophobicContact CG2-CE2 3.38Å; T334-F579 HydrophobicContact CG2-CZ 3.45Å; T334-F579 VanDerWaalsContact CG2-CZ 3.45Å
335	Y	90.6	Very high	89	Confident	47 Å²	47	43.8 Å²	43.8	18%	0.184	19%	0.194	C	C	.	.			trans	-115.7	83	-179.7	-55.5	-64.4	0	0	0	110	L261 R263 E333 D337 R338 L339	L261-Y335 PolarHBondContact O-N 3.19Å; R263-Y335 HydrophobicContact CB-CE2 3.73Å; R263-Y335 WeakPolarHBondContact CB-OH 3.23Å; R263-Y335 WeakPolarHBondContact CD-OH 3.37Å; E333-Y335 HydrophobicContact CB-CE1 4.19Å; E333-Y335 PolarHBondContact OE2-OH 3.39Å; Y335-D337 VanDerWaalsContact C-N 3.25Å; Y335-D337 PolarHBondContact O-N 3.01Å; Y335-R338 WeakPolarHBondContact O-CB 3.37Å; Y335-R338 PolarHBondContact O-N 2.74Å; Y335-L339 PolarHBondContact O-N 2.65Å
336	L	89.5	Confident	88.1	Confident	17 Å²	17	49.6 Å²	49.6	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-55	-40.4	-176.3	-64	-177.7	0	0	0	112.5	Y212 R338 L339 S340 K571 R574 E575	Y212-L336 HydrophobicContact CD2-CB 4.45Å; Y212-L336 HydrophobicContact CG-CB 4.17Å; L336-R338 PolarHBondContact O-N 2.92Å; L336-L339 WeakPolarHBondContact O-CB 3.11Å; L336-L339 PolarHBondContact O-N 3.24Å; L336-S340 PolarHBondContact O-N 3.18Å; L336-S340 VanDerWaalsContact O-N 3.09Å; L336-K571 HydrophobicContact CD1-CB 3.89Å; L336-K571 HydrophobicContact CD1-CD 3.83Å; L336-K571 HydrophobicContact CD1-CG 4.28Å; L336-R574 HydrophobicContact CD2-CB 3.64Å; L336-E575 HydrophobicContact CD1-CG 4.26Å; L336-E575 HydrophobicContact CD2-CG 3.82Å; L336-E575 HydrophobicContact CG-CG 4.37Å
337	D	86.9	Confident	87.4	Confident	53 Å²	53	53.5 Å²	53.5	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-54.6	-39	177.9	-41.1	-58.5	0	0	0	111.9	Y212 W217 Y335 L341	Y212-D337 VanDerWaalsContact CA-OD1 3.25Å; Y212-D337 WeakPolarHBondContact CA-OD1 3.34Å; Y212-D337 VanDerWaalsContact CB-OD1 3.28Å; Y212-D337 WeakPolarHBondContact CB-OD1 3.47Å; Y212-D337 PolarHBondContact N-OD1 3.35Å; W217-D337 PolarHBondContact NE1-OD1 2.9Å; W217-D337 VanDerWaalsContact NE1-OD1 3.16Å; Y335-D337 VanDerWaalsContact C-N 3.25Å; Y335-D337 PolarHBondContact O-N 3.01Å; D337-L341 WeakPolarHBondContact O-CB 3.42Å; D337-L341 WeakPolarHBondContact O-CD1 3.42Å; D337-L341 VanDerWaalsContact O-CG 3.24Å; D337-L341 WeakPolarHBondContact O-CG 3.5Å; D337-L341 PolarHBondContact O-N 3.3Å
338	R	88.5	Confident	86.9	Confident	75 Å²	75	58 Å²	58	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-75.8	-25.5	178.3	-63.3	-175.3	179.8	132	14.7	113.6	P260 L261 Y335 L336 R342	P260-R338 WeakPolarHBondContact O-CD 3.04Å; P260-R338 PolarHBondContact O-NH1 2.96Å; L261-R338 HydrophobicContact CD2-CB 3.89Å; L261-R338 WeakPolarHBondContact CD2-O 3.44Å; Y335-R338 WeakPolarHBondContact O-CB 3.37Å; Y335-R338 PolarHBondContact O-N 2.74Å; L336-R338 PolarHBondContact O-N 2.92Å; R338-R342 VanDerWaalsContact O-CB 3.29Å; R338-R342 WeakPolarHBondContact O-CB 3.28Å; R338-R342 PolarHBondContact O-N 2.77Å
339	L	88.7	Confident	86.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-50.7	173.8	-175.2	78.4	0	0	0	109	L261 Y335 L336 R342 Y343 L352 R574 M577	L261-L339 HydrophobicContact CD1-CD1 4.05Å; Y335-L339 PolarHBondContact O-N 2.65Å; L336-L339 WeakPolarHBondContact O-CB 3.11Å; L336-L339 PolarHBondContact O-N 3.24Å; L339-R342 PolarHBondContact O-N 3Å; L339-R342 VanDerWaalsContact O-N 3.15Å; L339-Y343 HydrophobicContact CD1-CD2 3.77Å; L339-Y343 HydrophobicContact CD1-CE2 4.02Å; L339-Y343 HydrophobicContact CG-CD2 4.32Å; L339-Y343 WeakPolarHBondContact O-CD2 3.26Å; L339-Y343 PolarHBondContact O-N 3.32Å; L339-L352 HydrophobicContact CD1-CD2 4.32Å; L339-L352 HydrophobicContact CD2-CD2 3.97Å; L339-L352 HydrophobicContact CG-CD2 4.01Å; L339-R574 HydrophobicContact CD2-CB 4.08Å; L339-R574 WeakPolarHBondContact CD2-O 3.37Å; L339-M577 HydrophobicContact CD1-CB 4.14Å; L339-M577 HydrophobicContact CD2-CB 3.93Å
340	S	86.6	Confident	86.2	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.028	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-48.2	179.8	-60.4	0	0	0	0	112	Y212 L336 R342 Y343 E344	Y212-S340 VanDerWaalsContact CE2-OG 3.3Å; Y212-S340 WeakPolarHBondContact CE2-OG 3.44Å; Y212-S340 PolarHBondContact OH-OG 2.81Å; L336-S340 PolarHBondContact O-N 3.18Å; L336-S340 VanDerWaalsContact O-N 3.09Å; S340-R342 PolarHBondContact O-N 2.91Å; S340-Y343 PolarHBondContact O-N 2.76Å; S340-E344 WeakPolarHBondContact CA-OE2 3.22Å; S340-E344 WeakPolarHBondContact CB-OE2 3.37Å; S340-E344 CarbonylContact O-C 3.58Å; S340-E344 WeakPolarHBondContact O-CA 3.39Å; S340-E344 PolarHBondContact O-N 3.38Å; S340-E344 PolarHBondContact OG-OE2 3.45Å
341	L	84.9	Confident	86	Confident	58 Å²	58	59.6 Å²	59.6	30%	0.304	32%	0.32	S	S	.	.	H	α-helix	trans	-54.3	-25.8	173.5	-78.2	165.9	0	0	0	114	M221 W224 D337	M221-L341 HydrophobicContact CE-CD2 3.9Å; M221-L341 HydrophobicContact SD-CD2 3.63Å; M221-L341 HydrophobicContact SD-CG 4.32Å; W224-L341 HydrophobicContact CD2-CD2 3.93Å; W224-L341 HydrophobicContact CE3-CD2 3.84Å; W224-L341 HydrophobicContact CH2-CD2 3.79Å; W224-L341 HydrophobicContact CZ2-CD2 3.87Å; W224-L341 HydrophobicContact CZ3-CD2 3.78Å; D337-L341 WeakPolarHBondContact O-CB 3.42Å; D337-L341 WeakPolarHBondContact O-CD1 3.42Å; D337-L341 VanDerWaalsContact O-CG 3.24Å; D337-L341 WeakPolarHBondContact O-CG 3.5Å; D337-L341 PolarHBondContact O-N 3.3Å
342	R	85.3	Confident	86	Confident	35 Å²	35	57.5 Å²	57.5	13%	0.132	31%	0.311	C	S	.	.	H	α-helix	trans	-91.6	-43.7	-178.7	-172.5	167.7	-61.1	168.3	6.9	113.5	E256 G257 Q259 R338 L339 S340	E256-R342 PolarHBondContact O-NH2 3.08Å; E256-R342 VanDerWaalsContact O-NH2 3.13Å; G257-R342 PolarHBondContact O-NE 3.28Å; G257-R342 PolarHBondContact O-NH1 3.39Å; G257-R342 PolarHBondContact O-NH2 2.85Å; G257-R342 VanDerWaalsContact O-NH2 3.1Å; Q259-R342 PolarHBondContact O-NH1 2.74Å; Q259-R342 PolarHBondContact O-NH2 2.77Å; R338-R342 VanDerWaalsContact O-CB 3.29Å; R338-R342 WeakPolarHBondContact O-CB 3.28Å; R338-R342 PolarHBondContact O-N 2.77Å; L339-R342 PolarHBondContact O-N 3Å; L339-R342 VanDerWaalsContact O-N 3.15Å; S340-R342 PolarHBondContact O-N 2.91Å
343	Y	87	Confident	86.1	Confident	49 Å²	49	57.5 Å²	57.5	19%	0.192	32%	0.315	C	S	.	.	H	α-helix	trans	-112.8	-24.1	-169.3	-63.2	-74.2	0	0	0	114.4	L261 L339 S340 G351 M581	L261-Y343 HydrophobicContact CD1-CE2 4.08Å; L339-Y343 HydrophobicContact CD1-CD2 3.77Å; L339-Y343 HydrophobicContact CD1-CE2 4.02Å; L339-Y343 HydrophobicContact CG-CD2 4.32Å; L339-Y343 WeakPolarHBondContact O-CD2 3.26Å; L339-Y343 PolarHBondContact O-N 3.32Å; S340-Y343 PolarHBondContact O-N 2.76Å; Y343-G351 PolarHBondContact O-N 3.33Å; Y343-M581 HydrophobicContact CD1-CE 3.56Å; Y343-M581 HydrophobicContact CD2-CE 4.04Å; Y343-M581 HydrophobicContact CE1-CE 3.56Å; Y343-M581 HydrophobicContact CE2-CB 4.25Å; Y343-M581 HydrophobicContact CE2-CE 4.04Å; Y343-M581 HydrophobicContact CG-CE 3.82Å; Y343-M581 PolarHBondContact OH-O 3.39Å
344	E	84.7	Confident	86.3	Confident	39 Å²	39	55.3 Å²	55.3	18%	0.182	31%	0.308	C	S	.	.			trans	-105.4	68.9	176.3	-70.1	165.4	127.2	0	0	109.6	S340 E346 S350 L352 R574	S340-E344 WeakPolarHBondContact CA-OE2 3.22Å; S340-E344 WeakPolarHBondContact CB-OE2 3.37Å; S340-E344 CarbonylContact O-C 3.58Å; S340-E344 WeakPolarHBondContact O-CA 3.39Å; S340-E344 PolarHBondContact O-N 3.38Å; S340-E344 PolarHBondContact OG-OE2 3.45Å; E344-E346 PolarHBondContact O-N 2.76Å; E344-S350 WeakPolarHBondContact CG-OG 3.43Å; E344-L352 HydrophobicContact CG-CD1 3.82Å; E344-L352 HydrophobicContact CG-CG 4.12Å; E344-L352 WeakPolarHBondContact OE1-CD1 3.45Å; E344-R574 IonicContact OE1-CZ 3.95Å; E344-R574 VanDerWaalsContact OE1-CZ 3.3Å; E344-R574 IonicContact OE1-NH1 2.66Å; E344-R574 PolarHBondContact OE1-NH1 2.97Å; E344-R574 IonicContact OE1-NH2 3.21Å; E344-R574 PolarHBondContact OE1-NH2 3.46Å; E344-R574 IonicContact OE2-CZ 3.66Å; E344-R574 IonicContact OE2-NH1 3.39Å; E344-R574 PolarHBondContact OE2-NH1 2.73Å; E344-R574 IonicContact OE2-NH2 2.7Å
345	K	80	Confident	86.5	Confident	122 Å²	122	53.9 Å²	53.9	53%	0.53	30%	0.299	S	S	.	.			trans	-78.9	116.6	174	-63.3	-176	-179.3	-175.4	0	109	K348	K345-K348 HydrophobicContact CB-CB 4.48Å; K345-K348 PolarHBondContact O-N 3.11Å
346	E	72.2	Confident	86.8	Confident	128 Å²	128	51.7 Å²	51.7	60%	0.598	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	143.2	176.9	-68	179.5	-166.9	0	0	111.7	K225 E344 K348	K225-E346 WeakPolarHBondContact CE-OE1 3.21Å; K225-E346 WeakPolarHBondContact CE-OE2 3.27Å; K225-E346 IonicContact NZ-OE1 2.7Å; K225-E346 PolarHBondContact NZ-OE1 2.87Å; K225-E346 IonicContact NZ-OE2 3.07Å; K225-E346 PolarHBondContact NZ-OE2 2.87Å; E344-E346 PolarHBondContact O-N 2.76Å; E346-K348 PolarHBondContact O-N 2.87Å
347	G	76.3	Confident	87.2	Confident	90 Å²	90	50.9 Å²	50.9	93%	0.928	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	0.4	-173.2	0	0	0	0	0	115.3
348	K	82.1	Confident	87.7	Confident	156 Å²	156	48.4 Å²	48.4	68%	0.678	27%	0.273	S	S	*	.	S	Bend	trans	-125	152.4	172.5	-64.5	-162	176.6	-162.8	0	111	K345 E346	K345-K348 HydrophobicContact CB-CB 4.48Å; K345-K348 PolarHBondContact O-N 3.11Å; E346-K348 PolarHBondContact O-N 2.87Å
349	P	83.1	Confident	88	Confident	122 Å²	122	44.9 Å²	44.9	79%	0.792	26%	0.26	S	S	*	.			trans	-59.8	142.9	173.7	25.8	-35	0	0	0	110.6	G351	P349-G351 PolarHBondContact O-N 3.44Å
350	S	86.3	Confident	88.2	Confident	25 Å²	25	45.5 Å²	45.5	18%	0.175	26%	0.264	C	S	.	.			trans	-63.5	123	-176.9	-175.9	0	0	0	0	111.4	E344 L352	E344-S350 WeakPolarHBondContact CG-OG 3.43Å; S350-L352 PolarHBondContact O-N 3.08Å; S350-L352 WeakPolarHBondContact OG-CB 3.38Å; S350-L352 WeakPolarHBondContact OG-CG 3.44Å; S350-L352 PolarHBondContact OG-N 2.93Å
351	G	87.4	Confident	88.4	Confident	44 Å²	44	45.4 Å²	45.4	45%	0.454	26%	0.264	S	S	.	.			trans	-78.3	7.2	173.9	0	0	0	0	0	113.9	Y343 P349 M581	Y343-G351 PolarHBondContact O-N 3.33Å; P349-G351 PolarHBondContact O-N 3.44Å; G351-M581 VanDerWaalsContact O-CE 3.28Å; G351-M581 WeakPolarHBondContact O-CE 3.43Å
352	L	91.9	Very high	88.5	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.1	138.5	170.3	-71.7	177.7	0	0	0	110.6	L339 E344 S350 Y384 P385 K388 M581	L339-L352 HydrophobicContact CD1-CD2 4.32Å; L339-L352 HydrophobicContact CD2-CD2 3.97Å; L339-L352 HydrophobicContact CG-CD2 4.01Å; E344-L352 HydrophobicContact CG-CD1 3.82Å; E344-L352 HydrophobicContact CG-CG 4.12Å; E344-L352 WeakPolarHBondContact OE1-CD1 3.45Å; S350-L352 PolarHBondContact O-N 3.08Å; S350-L352 WeakPolarHBondContact OG-CB 3.38Å; S350-L352 WeakPolarHBondContact OG-CG 3.44Å; S350-L352 PolarHBondContact OG-N 2.93Å; L352-Y384 HydrophobicContact CD1-CD2 4.32Å; L352-Y384 HydrophobicContact CD1-CE2 3.88Å; L352-P385 HydrophobicContact CD1-CG 4.12Å; L352-K388 WeakPolarHBondContact O-CD 3.13Å; L352-K388 WeakPolarHBondContact O-CE 3.37Å; L352-M581 HydrophobicContact CD2-CE 4.48Å; L352-M581 HydrophobicContact CD2-SD 3.94Å
353	S	93.2	Very high	88.5	Confident	26 Å²	26	45.4 Å²	45.4	18%	0.182	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-72.2	145.4	178.7	-58.7	0	0	0	0	111.7	Y384 Y557	S353-Y384 WeakPolarHBondContact O-CE1 3.3Å; S353-Y384 PolarHBondContact O-OH 2.67Å; S353-Y557 VanDerWaalsContact CB-CE2 3.48Å
354	P	94.8	Very high	88.4	Confident	39 Å²	39	43.6 Å²	43.6	25%	0.253	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-61.1	150.9	171.7	-19.1	29.5	0	0	0	112.6	K388 A555 P556	P354-K388 CarbonylContact C-O 3.57Å; P354-K388 WeakPolarHBondContact CA-O 3.34Å; P354-K388 HydrophobicContact CB-CD 4.33Å; P354-K388 HydrophobicContact CG-CD 3.81Å; P354-A555 HydrophobicContact CB-CB 3.83Å; P354-P556 WeakPolarHBondContact O-CD 3.19Å
355	V	96.3	Very high	88.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121.6	174.1	-170.2	0	0	0	0	109.1	Y384 K388 V389 A390 Y557 L559 L573 M577	V355-Y384 HydrophobicContact CG2-CE1 4.1Å; V355-K388 PolarHBondContact N-O 3.43Å; V355-V389 WeakPolarHBondContact O-CA 3.23Å; V355-A390 PolarHBondContact O-N 2.72Å; V355-Y557 WeakPolarHBondContact CA-O 2.98Å; V355-L559 HydrophobicContact CG1-CB 4.3Å; V355-L573 HydrophobicContact CG1-CD2 4.16Å; V355-M577 HydrophobicContact CG2-CE 3.78Å
356	D	97.1	Very high	88.1	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.011	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.3	163.2	-50.7	-46	0	0	0	108.5	F358 A390 Y392 S549 S553 A555 Y557 L558 L559 R639	D356-F358 HydrophobicContact CB-CD1 4.26Å; D356-F358 HydrophobicContact CB-CE1 3.74Å; D356-A390 CarbonylContact C-O 3.56Å; D356-A390 WeakPolarHBondContact CA-O 3.37Å; D356-Y392 HydrophobicContact CB-CD2 3.99Å; D356-Y392 HydrophobicContact CB-CE2 3.87Å; D356-S549 WeakPolarHBondContact OD2-CB 3.35Å; D356-S549 PolarHBondContact OD2-OG 2.9Å; D356-S553 VanDerWaalsContact CG-OG 3.25Å; D356-S553 WeakPolarHBondContact OD1-CB 3.3Å; D356-S553 PolarHBondContact OD1-OG 3.42Å; D356-S553 PolarHBondContact OD2-OG 2.97Å; D356-A555 HydrophobicContact CB-CB 4.26Å; D356-A555 WeakPolarHBondContact OD1-CB 3.31Å; D356-A555 WeakPolarHBondContact OD2-CB 3.48Å; D356-Y557 PolarHBondContact N-O 3.29Å; D356-Y557 VanDerWaalsContact N-O 3.08Å; D356-L558 HydrophobicContact CB-CD2 3.64Å; D356-L558 CarbonylContact O-C 3.55Å; D356-L558 WeakPolarHBondContact O-CA 3.48Å; D356-L558 WeakPolarHBondContact OD2-CD2 3.47Å; D356-L559 PolarHBondContact O-N 3.14Å; D356-R639 IonicContact OD2-NH2 3.86Å; D356-R639 PolarHBondContact OD2-NH2 2.96Å
357	V	97.4	Very high	88.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.2	174.8	-172.6	0	0	0	0	108.3	I379 V389 A390 C391 Y392 L559 V561	V357-I379 HydrophobicContact CB-CG2 3.79Å; V357-I379 HydrophobicContact CG1-CD1 3.82Å; V357-I379 HydrophobicContact CG1-CG1 4.09Å; V357-I379 HydrophobicContact CG1-CG2 3.75Å; V357-I379 HydrophobicContact CG2-CG2 3.98Å; V357-V389 HydrophobicContact CG2-CG1 4.26Å; V357-A390 PolarHBondContact N-O 3.49Å; V357-C391 CarbonylContact O-C 3.47Å; V357-C391 WeakPolarHBondContact O-CA 3.49Å; V357-Y392 PolarHBondContact O-N 3.19Å; V357-L559 CarbonylContact C-O 3.45Å; V357-L559 WeakPolarHBondContact CA-O 3.48Å; V357-L559 HydrophobicContact CG1-CB 4.26Å; V357-L559 HydrophobicContact CG1-CD2 3.87Å; V357-L559 HydrophobicContact CG1-CG 4Å; V357-L559 HydrophobicContact CG2-CB 4.24Å; V357-L559 HydrophobicContact CG2-CD2 4.12Å; V357-V561 HydrophobicContact CG1-CG2 3.86Å
358	F	97.4	Very high	88.9	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.7	-177.5	-67.8	-3.9	0	0	0	109.8	D356 Y392 M542 L545 I546 S549 L558 L559 N560 V561	D356-F358 HydrophobicContact CB-CD1 4.26Å; D356-F358 HydrophobicContact CB-CE1 3.74Å; F358-Y392 WeakPolarHBondContact CA-O 3.37Å; F358-Y392 HydrophobicContact CD1-CD2 4.21Å; F358-Y392 HydrophobicContact CD1-CG 4.31Å; F358-Y392 AromaticContact CE1-CD2 3.99Å; F358-Y392 HydrophobicContact CE1-CD2 3.99Å; F358-Y392 HydrophobicContact CE1-CG 4.19Å; F358-M542 HydrophobicContact CB-CE 4.17Å; F358-M542 HydrophobicContact CB-SD 4.38Å; F358-M542 HydrophobicContact CD2-CE 3.74Å; F358-M542 HydrophobicContact CD2-SD 4.41Å; F358-M542 HydrophobicContact CG-CE 4.48Å; F358-L545 HydrophobicContact CB-CD1 3.68Å; F358-L545 HydrophobicContact CD1-CB 4.3Å; F358-L545 HydrophobicContact CD1-CD1 4.16Å; F358-L545 HydrophobicContact CD2-CB 3.67Å; F358-L545 HydrophobicContact CD2-CD1 3.97Å; F358-L545 HydrophobicContact CE1-CB 4.19Å; F358-L545 HydrophobicContact CE2-CB 3.56Å; F358-L545 HydrophobicContact CG-CB 4.06Å; F358-L545 HydrophobicContact CG-CD1 3.69Å; F358-L545 VanDerWaalsContact CZ-C 3.46Å; F358-L545 HydrophobicContact CZ-CB 3.83Å; F358-L545 VanDerWaalsContact CZ-O 3.3Å; F358-L545 WeakPolarHBondContact CZ-O 3.48Å; F358-I546 HydrophobicContact CE2-CG1 4.18Å; F358-S549 WeakPolarHBondContact CZ-OG 3.32Å; F358-L558 HydrophobicContact CE1-CD2 3.93Å; F358-L558 HydrophobicContact CE2-CD1 4.01Å; F358-L558 HydrophobicContact CE2-CD2 4.1Å; F358-L558 HydrophobicContact CE2-CG 4.5Å; F358-L558 HydrophobicContact CZ-CD1 4.14Å; F358-L558 HydrophobicContact CZ-CD2 3.55Å; F358-L558 HydrophobicContact CZ-CG 4.38Å; F358-L559 PolarHBondContact N-O 3.31Å; F358-N560 PolarHBondContact O-OD1 3.33Å; F358-V561 PolarHBondContact O-N 3.01Å
359	V	95.9	Very high	89.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.5	171.9	-175.2	0	0	0	0	108.3	T375 I379 Y392 V393 S394 V561 C563	V359-T375 HydrophobicContact CG1-CG2 4.28Å; V359-T375 HydrophobicContact CG2-CG2 4.27Å; V359-I379 HydrophobicContact CG2-CD1 3.44Å; V359-I379 VanDerWaalsContact CG2-CD1 3.44Å; V359-Y392 PolarHBondContact N-O 3.29Å; V359-V393 HydrophobicContact CB-CG2 4.35Å; V359-V393 CarbonylContact O-C 3.56Å; V359-V393 WeakPolarHBondContact O-CA 3.45Å; V359-S394 PolarHBondContact O-N 3.03Å; V359-V561 WeakPolarHBondContact CA-O 3.42Å; V359-C563 HydrophobicContact CG1-CB 4.2Å
360	S	92.4	Very high	89.8	Confident	14 Å²	14	27.2 Å²	27.2	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.4	174.3	63.3	0	0	0	0	111
361	T	91.5	Very high	90.1	Very high	2 Å²	2	28 Å²	28	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.6	169.1	-178.4	0	0	0	0	110	S394 D395 D396 T402	T361-S394 PolarHBondContact N-O 3.32Å; T361-D395 HydrophobicContact CG2-CB 4.33Å; T361-D396 PolarHBondContact O-N 2.56Å; T361-T402 HydrophobicContact CG2-CG2 3.94Å
362	V	86.9	Confident	90.4	Very high	57 Å²	57	26.1 Å²	26.1	35%	0.345	14%	0.144	S	C	.	.	S	Bend	trans	-105.5	-42.8	-174	-175.6	0	0	0	0	112.3	E367 G397 V961	V362-E367 PolarHBondContact N-OE2 3.19Å; V362-G397 WeakPolarHBondContact O-CA 3.49Å; V362-G397 PolarHBondContact O-N 2.82Å; V362-V961 HydrophobicContact CG1-CG2 4.27Å
363	D	84.2	Confident	90.5	Very high	35 Å²	35	26.1 Å²	26.1	19%	0.187	14%	0.144	C	C	.	.			trans	-163.7	116.4	-173.3	177.1	-7.5	0	0	0	110	L365 K366 E367	D363-L365 PolarHBondContact O-N 3.46Å; D363-L365 VanDerWaalsContact O-N 3.12Å; D363-L365 WeakPolarHBondContact OD1-CB 3.31Å; D363-L365 PolarHBondContact OD1-N 3Å; D363-K366 HydrophobicContact CB-CB 4.42Å; D363-K366 HydrophobicContact CB-CG 4.31Å; D363-K366 PolarHBondContact O-N 3.24Å; D363-K366 IonicContact OD2-NZ 2.84Å; D363-K366 PolarHBondContact OD2-NZ 3.46Å; D363-E367 PolarHBondContact O-N 3Å
364	P	84.9	Confident	90.6	Very high	11 Å²	11	25 Å²	25	7%	0.071	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.1	-176.7	29.4	-36.6	0	0	0	114	K366 P368 A399 L401	P364-K366 VanDerWaalsContact C-N 3.35Å; P364-P368 WeakPolarHBondContact O-CA 3.31Å; P364-A399 HydrophobicContact CG-CB 3.88Å; P364-L401 HydrophobicContact CB-CD2 3.77Å; P364-L401 HydrophobicContact CB-CG 4.18Å; P364-L401 HydrophobicContact CG-CB 4.35Å; P364-L401 HydrophobicContact CG-CD2 3.94Å; P364-L401 HydrophobicContact CG-CG 4.33Å
365	L	80.2	Confident	90.6	Very high	122 Å²	122	23.3 Å²	23.3	64%	0.639	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-18.2	172.6	-59.9	177	0	0	0	112.9	D363	D363-L365 PolarHBondContact O-N 3.46Å; D363-L365 VanDerWaalsContact O-N 3.12Å; D363-L365 WeakPolarHBondContact OD1-CB 3.31Å; D363-L365 PolarHBondContact OD1-N 3Å
366	K	78.3	Confident	90.6	Very high	87 Å²	87	23.3 Å²	23.3	38%	0.378	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-27.6	176.6	-58.8	-171.7	-175.6	75.8	0	112.8	D363 P364 V961	D363-K366 HydrophobicContact CB-CB 4.42Å; D363-K366 HydrophobicContact CB-CG 4.31Å; D363-K366 PolarHBondContact O-N 3.24Å; D363-K366 IonicContact OD2-NZ 2.84Å; D363-K366 PolarHBondContact OD2-NZ 3.46Å; P364-K366 VanDerWaalsContact C-N 3.35Å; K366-V961 HydrophobicContact CB-CG1 4.33Å; K366-V961 HydrophobicContact CD-CB 3.82Å; K366-V961 HydrophobicContact CD-CG1 4.09Å
367	E	80.9	Confident	90.6	Very high	33 Å²	33	23.2 Å²	23.2	15%	0.154	12%	0.124	C	C	.	.	S	Bend	trans	-126.5	79.3	-176.3	-66	170.9	159	0	0	108	V362 D363	V362-E367 PolarHBondContact N-OE2 3.19Å; D363-E367 PolarHBondContact O-N 3Å
368	P	85.8	Confident	90.5	Very high	39 Å²	39	23.2 Å²	23.2	25%	0.253	12%	0.124	S	C	.	.			trans	-49.1	135.5	-167.5	-31.2	34.5	0	0	0	113.8	P364 L370 I371 A965	P364-P368 WeakPolarHBondContact O-CA 3.31Å; P368-L370 PolarHBondContact O-N 3.39Å; P368-L370 VanDerWaalsContact O-N 3.09Å; P368-I371 HydrophobicContact CB-CD1 4.42Å; P368-I371 HydrophobicContact CB-CG1 4.39Å; P368-I371 HydrophobicContact CG-CD1 4.35Å; P368-I371 WeakPolarHBondContact O-CB 3.35Å; P368-I371 PolarHBondContact O-N 3.2Å; P368-A965 HydrophobicContact CG-CB 3.97Å
369	P	91	Very high	90.5	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.052	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-28.3	-170.2	22.2	-33	0	0	0	113.1	I371 T372 A373 L401 A405 I467 V471	P369-I371 VanDerWaalsContact C-N 3.26Å; P369-I371 PolarHBondContact O-N 3.12Å; P369-T372 PolarHBondContact O-N 3.31Å; P369-A373 WeakPolarHBondContact O-CB 3.36Å; P369-A373 PolarHBondContact O-N 2.87Å; P369-L401 HydrophobicContact CG-CD1 4.17Å; P369-L401 HydrophobicContact CG-CD2 4.27Å; P369-L401 HydrophobicContact CG-CG 4.17Å; P369-A405 HydrophobicContact CB-CB 3.73Å; P369-I467 HydrophobicContact CG-CG2 4.35Å; P369-V471 HydrophobicContact CG-CG2 3.4Å; P369-V471 VanDerWaalsContact CG-CG2 3.4Å
370	L	92.9	Very high	90.4	Very high	25 Å²	25	23.1 Å²	23.1	13%	0.131	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-33.3	173.2	-175.1	63.9	0	0	0	113.3	P368 N374 F463 K464 I467	P368-L370 PolarHBondContact O-N 3.39Å; P368-L370 VanDerWaalsContact O-N 3.09Å; L370-N374 WeakPolarHBondContact O-CB 3.46Å; L370-N374 PolarHBondContact O-N 2.81Å; L370-N374 PolarHBondContact O-ND2 3.38Å; L370-F463 HydrophobicContact CD1-CE1 4.15Å; L370-K464 HydrophobicContact CD1-CG 4.38Å; L370-K464 HydrophobicContact CD2-CD 4.1Å; L370-K464 HydrophobicContact CD2-CG 3.93Å; L370-I467 HydrophobicContact CB-CG2 4Å; L370-I467 HydrophobicContact CD1-CG2 4.35Å
371	I	91.8	Very high	90.6	Very high	42 Å²	42	22.5 Å²	22.5	22%	0.215	12%	0.119	C	C	.	.	H	α-helix	trans	-71.6	-47.6	176.4	-55.2	-178.6	0	0	0	109.4	P368 P369 A373 N374 T375	P368-I371 HydrophobicContact CB-CD1 4.42Å; P368-I371 HydrophobicContact CB-CG1 4.39Å; P368-I371 HydrophobicContact CG-CD1 4.35Å; P368-I371 WeakPolarHBondContact O-CB 3.35Å; P368-I371 PolarHBondContact O-N 3.2Å; P369-I371 VanDerWaalsContact C-N 3.26Å; P369-I371 PolarHBondContact O-N 3.12Å; I371-A373 VanDerWaalsContact C-N 3.31Å; I371-A373 PolarHBondContact O-N 3.22Å; I371-N374 PolarHBondContact O-N 2.98Å; I371-T375 PolarHBondContact O-N 3.19Å; I371-T375 PolarHBondContact O-OG1 3.23Å
372	T	93.4	Very high	90.7	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-43	175.9	-58.4	0	0	0	0	111.3	P369 T375 V376	P369-T372 PolarHBondContact O-N 3.31Å; T372-T375 WeakPolarHBondContact O-CB 3.49Å; T372-T375 PolarHBondContact O-N 3.17Å; T372-V376 WeakPolarHBondContact O-CG2 3.27Å; T372-V376 PolarHBondContact O-N 3.24Å
373	A	95.1	Very high	91	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-48.3	174.2	0	0	0	0	0	112.4	P369 I371 T375 V376 L377 T409 F463	P369-A373 WeakPolarHBondContact O-CB 3.36Å; P369-A373 PolarHBondContact O-N 2.87Å; I371-A373 VanDerWaalsContact C-N 3.31Å; I371-A373 PolarHBondContact O-N 3.22Å; A373-T375 VanDerWaalsContact C-N 3.3Å; A373-T375 PolarHBondContact O-N 3.11Å; A373-V376 PolarHBondContact O-N 2.7Å; A373-L377 WeakPolarHBondContact O-CB 3.45Å; A373-L377 WeakPolarHBondContact O-CD1 3.36Å; A373-L377 VanDerWaalsContact O-CG 3.27Å; A373-L377 WeakPolarHBondContact O-CG 3.41Å; A373-L377 PolarHBondContact O-N 3.15Å; A373-T409 HydrophobicContact CB-CG2 4.1Å; A373-T409 WeakPolarHBondContact CB-OG1 3.15Å; A373-F463 HydrophobicContact CB-CE1 4.48Å; A373-F463 HydrophobicContact CB-CZ 4Å
374	N	94.9	Very high	91.5	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-40	176.2	-93.9	-89.3	0	0	0	112.5	L370 I371 S378 A429 P430 E431 Y460	L370-N374 WeakPolarHBondContact O-CB 3.46Å; L370-N374 PolarHBondContact O-N 2.81Å; L370-N374 PolarHBondContact O-ND2 3.38Å; I371-N374 PolarHBondContact O-N 2.98Å; N374-S378 WeakPolarHBondContact O-CB 3.45Å; N374-S378 PolarHBondContact O-N 3.33Å; N374-A429 HydrophobicContact CB-CB 4.28Å; N374-P430 WeakPolarHBondContact OD1-CD 3.12Å; N374-P430 WeakPolarHBondContact OD1-CG 3.48Å; N374-E431 VanDerWaalsContact OD1-CB 3.25Å; N374-E431 WeakPolarHBondContact OD1-CB 3.49Å; N374-E431 PolarHBondContact OD1-N 2.92Å; N374-Y460 PolarHBondContact ND2-OH 3.01Å; N374-Y460 VanDerWaalsContact ND2-OH 3.11Å
375	T	95.1	Very high	91.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-49.6	173.3	-71.1	0	0	0	0	111.5	V359 I371 T372 A373 L377 S378 I379 C563 H565	V359-T375 HydrophobicContact CG1-CG2 4.28Å; V359-T375 HydrophobicContact CG2-CG2 4.27Å; I371-T375 PolarHBondContact O-N 3.19Å; I371-T375 PolarHBondContact O-OG1 3.23Å; T372-T375 WeakPolarHBondContact O-CB 3.49Å; T372-T375 PolarHBondContact O-N 3.17Å; A373-T375 VanDerWaalsContact C-N 3.3Å; A373-T375 PolarHBondContact O-N 3.11Å; T375-L377 PolarHBondContact O-N 3.27Å; T375-S378 WeakPolarHBondContact O-CB 3.36Å; T375-S378 PolarHBondContact O-N 3.34Å; T375-S378 PolarHBondContact O-OG 2.83Å; T375-I379 HydrophobicContact CG2-CD1 3.93Å; T375-I379 WeakPolarHBondContact O-CD1 3.21Å; T375-I379 WeakPolarHBondContact O-CG1 3.4Å; T375-I379 PolarHBondContact O-N 2.86Å; T375-I379 VanDerWaalsContact O-N 3.16Å; T375-C563 WeakPolarHBondContact CB-O 3.41Å; T375-C563 PolarHBondContact OG1-O 3.11Å; T375-H565 WeakPolarHBondContact CG2-O 3.3Å; T375-H565 PolarHBondContact OG1-O 3.5Å
376	V	96.3	Very high	92.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.5	-45.3	176.7	169.9	0	0	0	0	111.8	T372 A373 S378 I379 L380 V393 T409 L522	T372-V376 WeakPolarHBondContact O-CG2 3.27Å; T372-V376 PolarHBondContact O-N 3.24Å; A373-V376 PolarHBondContact O-N 2.7Å; V376-S378 VanDerWaalsContact C-N 3.3Å; V376-S378 PolarHBondContact O-N 3.09Å; V376-I379 WeakPolarHBondContact O-CB 3.07Å; V376-I379 PolarHBondContact O-N 2.72Å; V376-L380 HydrophobicContact CG1-CD1 3.95Å; V376-L380 HydrophobicContact CG1-CG 4.31Å; V376-L380 WeakPolarHBondContact O-CG 3.27Å; V376-L380 PolarHBondContact O-N 3.01Å; V376-V393 HydrophobicContact CG2-CG2 3.7Å; V376-T409 HydrophobicContact CB-CG2 4.3Å; V376-T409 HydrophobicContact CG1-CG2 4.05Å; V376-L522 HydrophobicContact CG1-CD1 3.82Å; V376-L522 HydrophobicContact CG1-CD2 4.17Å
377	L	96.6	Very high	92.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-39.2	176.5	-71.5	162.8	0	0	0	112	A373 T375 I379 L380 A381 T409 F412 A413 W416 P430 F463	A373-L377 WeakPolarHBondContact O-CB 3.45Å; A373-L377 WeakPolarHBondContact O-CD1 3.36Å; A373-L377 VanDerWaalsContact O-CG 3.27Å; A373-L377 WeakPolarHBondContact O-CG 3.41Å; A373-L377 PolarHBondContact O-N 3.15Å; T375-L377 PolarHBondContact O-N 3.27Å; L377-I379 VanDerWaalsContact C-N 3.25Å; L377-I379 PolarHBondContact O-N 2.93Å; L377-L380 PolarHBondContact O-N 3Å; L377-A381 VanDerWaalsContact O-CB 3.27Å; L377-A381 WeakPolarHBondContact O-CB 3.3Å; L377-A381 PolarHBondContact O-N 3.22Å; L377-A381 VanDerWaalsContact O-N 3.11Å; L377-T409 HydrophobicContact CD1-CG2 4.17Å; L377-T409 HydrophobicContact CD2-CG2 4.03Å; L377-T409 HydrophobicContact CG-CG2 3.73Å; L377-F412 HydrophobicContact CD1-CD1 3.71Å; L377-F412 HydrophobicContact CD1-CE1 4.06Å; L377-F412 HydrophobicContact CD2-CD1 3.83Å; L377-F412 HydrophobicContact CD2-CE1 4.44Å; L377-F412 HydrophobicContact CG-CD1 4.45Å; L377-A413 HydrophobicContact CD2-CB 3.76Å; L377-W416 HydrophobicContact CD2-CB 4.46Å; L377-P430 HydrophobicContact CD1-CG 3.92Å; L377-F463 HydrophobicContact CD1-CE1 4.33Å; L377-F463 HydrophobicContact CD1-CZ 4.49Å
378	S	95.7	Very high	93.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-29.9	175.2	82.7	0	0	0	0	113.3	N374 T375 V376 I567	N374-S378 WeakPolarHBondContact O-CB 3.45Å; N374-S378 PolarHBondContact O-N 3.33Å; T375-S378 WeakPolarHBondContact O-CB 3.36Å; T375-S378 PolarHBondContact O-N 3.34Å; T375-S378 PolarHBondContact O-OG 2.83Å; V376-S378 VanDerWaalsContact C-N 3.3Å; V376-S378 PolarHBondContact O-N 3.09Å; S378-I567 PolarHBondContact OG-N 3.37Å
379	I	96.2	Very high	93.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-80.5	-39.3	179.4	-67	162.3	0	0	0	111.4	V357 V359 T375 V376 L377 A381 V382 C391 I567	V357-I379 HydrophobicContact CB-CG2 3.79Å; V357-I379 HydrophobicContact CG1-CD1 3.82Å; V357-I379 HydrophobicContact CG1-CG1 4.09Å; V357-I379 HydrophobicContact CG1-CG2 3.75Å; V357-I379 HydrophobicContact CG2-CG2 3.98Å; V359-I379 HydrophobicContact CG2-CD1 3.44Å; V359-I379 VanDerWaalsContact CG2-CD1 3.44Å; T375-I379 HydrophobicContact CG2-CD1 3.93Å; T375-I379 WeakPolarHBondContact O-CD1 3.21Å; T375-I379 WeakPolarHBondContact O-CG1 3.4Å; T375-I379 PolarHBondContact O-N 2.86Å; T375-I379 VanDerWaalsContact O-N 3.16Å; V376-I379 WeakPolarHBondContact O-CB 3.07Å; V376-I379 PolarHBondContact O-N 2.72Å; L377-I379 VanDerWaalsContact C-N 3.25Å; L377-I379 PolarHBondContact O-N 2.93Å; I379-A381 VanDerWaalsContact C-N 3.28Å; I379-A381 PolarHBondContact O-N 3.28Å; I379-V382 WeakPolarHBondContact O-CG1 3.2Å; I379-V382 WeakPolarHBondContact O-CG2 3.48Å; I379-C391 HydrophobicContact CG2-CB 3.94Å; I379-I567 HydrophobicContact CG1-CD1 3.87Å; I379-I567 HydrophobicContact CG1-CG1 4.21Å
380	L	95.2	Very high	94	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70	-26.2	175.6	-62.4	174.9	0	0	0	112.3	V376 L377 C391 A413 V417 L506 P520	V376-L380 HydrophobicContact CG1-CD1 3.95Å; V376-L380 HydrophobicContact CG1-CG 4.31Å; V376-L380 WeakPolarHBondContact O-CG 3.27Å; V376-L380 PolarHBondContact O-N 3.01Å; L377-L380 PolarHBondContact O-N 3Å; L380-C391 HydrophobicContact CD2-CB 4.17Å; L380-A413 HydrophobicContact CD1-CB 3.75Å; L380-V417 HydrophobicContact CB-CG2 3.9Å; L380-L506 HydrophobicContact CD1-CD1 3.93Å; L380-P520 HydrophobicContact CD2-CB 3.95Å; L380-P520 HydrophobicContact CD2-CG 4.49Å
381	A	95.3	Very high	94.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	14.4	-178.5	0	0	0	0	0	115.6	L377 I379 V417 C420 R428	L377-A381 VanDerWaalsContact O-CB 3.27Å; L377-A381 WeakPolarHBondContact O-CB 3.3Å; L377-A381 PolarHBondContact O-N 3.22Å; L377-A381 VanDerWaalsContact O-N 3.11Å; I379-A381 VanDerWaalsContact C-N 3.28Å; I379-A381 PolarHBondContact O-N 3.28Å; A381-V417 HydrophobicContact CB-CG2 4.35Å; A381-C420 HydrophobicContact CB-CB 3.95Å; A381-R428 HydrophobicContact CB-CB 4.29Å
382	V	94.6	Very high	94.4	Very high	2 Å²	2	14 Å²	14	1%	0.012	8%	0.077	C	C	.	.			trans	-66.1	155.5	179.1	-66.2	0	0	0	0	114.2	I379 Y384 V389 K421 I567 L573	I379-V382 WeakPolarHBondContact O-CG1 3.2Å; I379-V382 WeakPolarHBondContact O-CG2 3.48Å; V382-Y384 PolarHBondContact O-N 3.18Å; V382-V389 HydrophobicContact CG2-CG1 4.43Å; V382-V389 HydrophobicContact CG2-CG2 4.09Å; V382-K421 VanDerWaalsContact O-CE 3.31Å; V382-K421 WeakPolarHBondContact O-CE 3.17Å; V382-I567 HydrophobicContact CG1-CD1 3.62Å; V382-I567 HydrophobicContact CG1-CG2 4.28Å; V382-L573 HydrophobicContact CB-CD1 4.21Å; V382-L573 HydrophobicContact CG1-CD1 4.31Å; V382-L573 HydrophobicContact CG2-CD1 3.86Å
383	D	93.5	Very high	94.5	Very high	42 Å²	42	13.8 Å²	13.8	23%	0.225	8%	0.076	C	C	.	.	S	Bend	trans	-84.3	83.3	169.2	174.2	10.9	0	0	0	109.5	S570 R574	D383-S570 PolarHBondContact N-O 3.02Å; D383-R574 WeakPolarHBondContact O-CG 3.4Å; D383-R574 PolarHBondContact O-NE 3.25Å; D383-R574 IonicContact OD1-CZ 3.06Å; D383-R574 VanDerWaalsContact OD1-CZ 3.25Å; D383-R574 IonicContact OD1-NE 2.75Å; D383-R574 PolarHBondContact OD1-NE 2.8Å; D383-R574 IonicContact OD1-NH2 2.67Å; D383-R574 PolarHBondContact OD1-NH2 2.93Å; D383-R574 IonicContact OD2-NE 2.59Å; D383-R574 PolarHBondContact OD2-NE 2.83Å; D383-R574 VanDerWaalsContact OD2-NE 3.13Å
384	Y	94	Very high	94.5	Very high	11 Å²	11	13.7 Å²	13.7	4%	0.043	8%	0.075	C	C	.	.	S	Bend	trans	-157.9	156.1	174.5	-147.4	-108.1	0	0	0	109.5	L352 S353 V355 V382 V386 K388 V389 L573 R574 M577	L352-Y384 HydrophobicContact CD1-CD2 4.32Å; L352-Y384 HydrophobicContact CD1-CE2 3.88Å; S353-Y384 WeakPolarHBondContact O-CE1 3.3Å; S353-Y384 PolarHBondContact O-OH 2.67Å; V355-Y384 HydrophobicContact CG2-CE1 4.1Å; V382-Y384 PolarHBondContact O-N 3.18Å; Y384-V386 PolarHBondContact O-N 3.47Å; Y384-K388 HydrophobicContact CD1-CB 3.86Å; Y384-K388 HydrophobicContact CE1-CB 3.69Å; Y384-V389 HydrophobicContact CD1-CG2 3.51Å; Y384-V389 HydrophobicContact CE1-CG2 4.5Å; Y384-V389 HydrophobicContact CG-CG2 4.02Å; Y384-L573 HydrophobicContact CD2-CB 3.9Å; Y384-L573 HydrophobicContact CE2-CB 4.22Å; Y384-L573 HydrophobicContact CG-CB 4.41Å; Y384-L573 HydrophobicContact CG-CD1 4.25Å; Y384-R574 HydrophobicContact CD2-CG 4.02Å; Y384-R574 HydrophobicContact CE2-CG 4.44Å; Y384-M577 HydrophobicContact CE2-CG 4.05Å; Y384-M577 VanDerWaalsContact OH-CG 3.27Å; Y384-M577 WeakPolarHBondContact OH-CG 3.3Å
385	P	92.3	Very high	94.4	Very high	24 Å²	24	13.5 Å²	13.5	16%	0.156	7%	0.074	C	C	.	.			trans	-58.8	135.4	175.8	-24.8	34.6	0	0	0	112.7	L352 D387 K388 V389	L352-P385 HydrophobicContact CD1-CG 4.12Å; P385-D387 VanDerWaalsContact C-N 3.32Å; P385-D387 WeakPolarHBondContact CB-OD1 3.32Å; P385-D387 PolarHBondContact O-N 3.22Å; P385-K388 HydrophobicContact CB-CB 4.16Å; P385-K388 HydrophobicContact CB-CG 3.95Å; P385-K388 HydrophobicContact CG-CG 4.45Å; P385-K388 PolarHBondContact O-N 3.21Å; P385-V389 PolarHBondContact O-N 3.18Å
386	V	90.9	Very high	94.2	Very high	48 Å²	48	14.1 Å²	14.1	29%	0.291	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-68.3	-29.9	-172.3	-64.8	0	0	0	0	113.2	Y384 K388 E518 P520	Y384-V386 PolarHBondContact O-N 3.47Å; V386-K388 PolarHBondContact O-N 3.3Å; V386-E518 WeakPolarHBondContact CG1-O 3.4Å; V386-E518 HydrophobicContact CG2-CB 4.33Å; V386-P520 HydrophobicContact CB-CG 4.42Å; V386-P520 HydrophobicContact CG1-CG 4.21Å
387	D	88.6	Confident	93.7	Very high	103 Å²	103	14.5 Å²	14.5	55%	0.551	8%	0.082	S	C	*	.	G	3₁₀ helix	trans	-73.8	-6.7	173	69.5	-52.8	0	0	0	113.4	P385	P385-D387 VanDerWaalsContact C-N 3.32Å; P385-D387 WeakPolarHBondContact CB-OD1 3.32Å; P385-D387 PolarHBondContact O-N 3.22Å
388	K	92.3	Very high	93.5	Very high	37 Å²	37	14.6 Å²	14.6	16%	0.161	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-114.7	-0.1	-178	-60.9	-65.9	-170.1	-77.2	0	113.7	L352 P354 V355 Y384 P385 V386	L352-K388 WeakPolarHBondContact O-CD 3.13Å; L352-K388 WeakPolarHBondContact O-CE 3.37Å; P354-K388 CarbonylContact C-O 3.57Å; P354-K388 WeakPolarHBondContact CA-O 3.34Å; P354-K388 HydrophobicContact CB-CD 4.33Å; P354-K388 HydrophobicContact CG-CD 3.81Å; V355-K388 PolarHBondContact N-O 3.43Å; Y384-K388 HydrophobicContact CD1-CB 3.86Å; Y384-K388 HydrophobicContact CE1-CB 3.69Å; P385-K388 HydrophobicContact CB-CB 4.16Å; P385-K388 HydrophobicContact CB-CG 3.95Å; P385-K388 HydrophobicContact CG-CG 4.45Å; P385-K388 PolarHBondContact O-N 3.21Å; V386-K388 PolarHBondContact O-N 3.3Å
389	V	94.1	Very high	93.2	Very high	8 Å²	8	15.8 Å²	15.8	5%	0.048	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.8	174.9	-174.1	0	0	0	0	110.9	V355 V357 V382 Y384 P385 P520 R521 L573	V355-V389 WeakPolarHBondContact O-CA 3.23Å; V357-V389 HydrophobicContact CG2-CG1 4.26Å; V382-V389 HydrophobicContact CG2-CG1 4.43Å; V382-V389 HydrophobicContact CG2-CG2 4.09Å; Y384-V389 HydrophobicContact CD1-CG2 3.51Å; Y384-V389 HydrophobicContact CE1-CG2 4.5Å; Y384-V389 HydrophobicContact CG-CG2 4.02Å; P385-V389 PolarHBondContact O-N 3.18Å; V389-P520 HydrophobicContact CB-CB 4.14Å; V389-P520 HydrophobicContact CG1-CB 4.3Å; V389-R521 PolarHBondContact O-N 2.64Å; V389-L573 HydrophobicContact CG2-CD1 4.17Å
390	A	94.6	Very high	93	Very high	7 Å²	7	16.5 Å²	16.5	6%	0.058	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.3	165.2	0	0	0	0	0	109.8	V355 D356 V357 Y392 R521	V355-A390 PolarHBondContact O-N 2.72Å; D356-A390 CarbonylContact C-O 3.56Å; D356-A390 WeakPolarHBondContact CA-O 3.37Å; V357-A390 PolarHBondContact N-O 3.49Å; A390-Y392 HydrophobicContact CB-CD2 4.3Å; A390-Y392 HydrophobicContact CB-CE2 3.67Å; A390-R521 CarbonylContact C-O 3.48Å; A390-R521 WeakPolarHBondContact CA-O 3.19Å; A390-R521 HydrophobicContact CB-CB 4.07Å
391	C	96.6	Very high	92.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.4	172.5	-171.3	0	0	0	0	109.3	V357 I379 L380 R521 L522 V523	V357-C391 CarbonylContact O-C 3.47Å; V357-C391 WeakPolarHBondContact O-CA 3.49Å; I379-C391 HydrophobicContact CG2-CB 3.94Å; L380-C391 HydrophobicContact CD2-CB 4.17Å; C391-R521 PolarHBondContact N-O 3.05Å; C391-L522 HydrophobicContact CB-CD1 3.84Å; C391-L522 WeakPolarHBondContact O-CA 3.36Å; C391-V523 PolarHBondContact O-N 2.76Å
392	Y	97.1	Very high	92.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.3	174.9	-69.1	-99.9	0	0	0	109	D356 V357 F358 V359 A390 V523 V525 V548 L552 S553	D356-Y392 HydrophobicContact CB-CD2 3.99Å; D356-Y392 HydrophobicContact CB-CE2 3.87Å; V357-Y392 PolarHBondContact O-N 3.19Å; F358-Y392 WeakPolarHBondContact CA-O 3.37Å; F358-Y392 HydrophobicContact CD1-CD2 4.21Å; F358-Y392 HydrophobicContact CD1-CG 4.31Å; F358-Y392 AromaticContact CE1-CD2 3.99Å; F358-Y392 HydrophobicContact CE1-CD2 3.99Å; F358-Y392 HydrophobicContact CE1-CG 4.19Å; V359-Y392 PolarHBondContact N-O 3.29Å; A390-Y392 HydrophobicContact CB-CD2 4.3Å; A390-Y392 HydrophobicContact CB-CE2 3.67Å; Y392-V523 CarbonylContact C-O 3.48Å; Y392-V523 WeakPolarHBondContact CA-O 3.44Å; Y392-V523 HydrophobicContact CD1-CB 3.59Å; Y392-V523 HydrophobicContact CD1-CG1 3.84Å; Y392-V523 HydrophobicContact CD1-CG2 3.98Å; Y392-V523 HydrophobicContact CE1-CB 3.78Å; Y392-V523 HydrophobicContact CE1-CG1 3.9Å; Y392-V523 HydrophobicContact CE1-CG2 3.68Å; Y392-V523 HydrophobicContact CG-CB 4.22Å; Y392-V525 HydrophobicContact CD1-CG2 4.42Å; Y392-V548 HydrophobicContact CD1-CG1 4.33Å; Y392-V548 HydrophobicContact CE1-CG1 4.45Å; Y392-L552 HydrophobicContact CE1-CD1 4.25Å; Y392-S553 WeakPolarHBondContact OH-CB 3.39Å; Y392-S553 PolarHBondContact OH-OG 3.12Å
393	V	96.4	Very high	92.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.8	177.4	-175.1	0	0	0	0	108.6	V359 V376 L406 L522 V523 V525	V359-V393 HydrophobicContact CB-CG2 4.35Å; V359-V393 CarbonylContact O-C 3.56Å; V359-V393 WeakPolarHBondContact O-CA 3.45Å; V376-V393 HydrophobicContact CG2-CG2 3.7Å; V393-L406 HydrophobicContact CB-CD2 3.89Å; V393-L406 HydrophobicContact CG1-CD1 4.37Å; V393-L406 HydrophobicContact CG1-CD2 4.14Å; V393-L406 HydrophobicContact CG2-CD2 3.95Å; V393-L522 HydrophobicContact CG2-CD1 4.07Å; V393-V523 PolarHBondContact N-O 2.91Å; V393-V525 PolarHBondContact O-N 2.94Å
394	S	95	Very high	92.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.5	171.3	-174.8	0	0	0	0	109.8	V359 T361 V525	V359-S394 PolarHBondContact O-N 3.03Å; T361-S394 PolarHBondContact N-O 3.32Å; S394-V525 VanDerWaalsContact CA-O 3.31Å; S394-V525 WeakPolarHBondContact CA-O 3.32Å
395	D	93.2	Very high	92.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.3	172.2	175.5	12.8	0	0	0	109.5	T361 G397 A398 A399 T402 Y524 V525 S526	T361-D395 HydrophobicContact CG2-CB 4.33Å; D395-G397 VanDerWaalsContact C-N 3.25Å; D395-G397 WeakPolarHBondContact OD1-CA 3.48Å; D395-G397 PolarHBondContact OD1-N 3.13Å; D395-A398 VanDerWaalsContact CG-N 3.3Å; D395-A398 PolarHBondContact OD1-N 3.04Å; D395-A398 WeakPolarHBondContact OD2-CA 3.32Å; D395-A398 PolarHBondContact OD2-N 2.72Å; D395-A399 PolarHBondContact OD2-N 2.94Å; D395-T402 HydrophobicContact CB-CG2 4.11Å; D395-Y524 HydrophobicContact CB-CD2 4.34Å; D395-Y524 HydrophobicContact CB-CE2 3.41Å; D395-Y524 VanDerWaalsContact CB-CE2 3.41Å; D395-Y524 PolarHBondContact OD2-OH 3.36Å; D395-V525 PolarHBondContact N-O 3.03Å; D395-S526 PolarHBondContact O-OG 3.34Å; D395-S526 VanDerWaalsContact O-OG 3.11Å
396	D	89.5	Confident	92.3	Very high	14 Å²	14	16.5 Å²	16.5	8%	0.075	9%	0.093	C	C	.	.	S	Bend	trans	-82.1	-5.2	177.9	-140.8	27.5	0	0	0	111.8	T361 K529 H535	T361-D396 PolarHBondContact O-N 2.56Å; D396-K529 PolarHBondContact O-NZ 2.89Å; D396-K529 VanDerWaalsContact OD1-CE 3.3Å; D396-K529 WeakPolarHBondContact OD1-CE 3.32Å; D396-K529 IonicContact OD1-NZ 2.72Å; D396-K529 PolarHBondContact OD1-NZ 3.09Å; D396-K529 IonicContact OD2-NZ 2.67Å; D396-H535 IonicContact OD2-CE1 2.77Å; D396-H535 IonicContact OD2-ND1 2.93Å
397	G	86.8	Confident	92.3	Very high	9 Å²	9	15.8 Å²	15.8	9%	0.093	9%	0.09	C	C	.	.	S	Bend	trans	-94.4	-21.8	174.9	0	0	0	0	0	114.4	V362 D395 A399	V362-G397 WeakPolarHBondContact O-CA 3.49Å; V362-G397 PolarHBondContact O-N 2.82Å; D395-G397 VanDerWaalsContact C-N 3.25Å; D395-G397 WeakPolarHBondContact OD1-CA 3.48Å; D395-G397 PolarHBondContact OD1-N 3.13Å; G397-A399 VanDerWaalsContact C-N 3.26Å; G397-A399 PolarHBondContact O-N 3.3Å
398	A	91.4	Very high	92.5	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	7%	0.074	C	C	.	.			trans	54.9	38	-173.5	0	0	0	0	0	113.4	D395 W490 H498 M501	D395-A398 VanDerWaalsContact CG-N 3.3Å; D395-A398 PolarHBondContact OD1-N 3.04Å; D395-A398 WeakPolarHBondContact OD2-CA 3.32Å; D395-A398 PolarHBondContact OD2-N 2.72Å; A398-W490 PolarHBondContact O-NE1 2.81Å; A398-H498 VanDerWaalsContact CB-CE1 3.47Å; A398-H498 WeakPolarHBondContact CB-CE1 3.14Å; A398-M501 HydrophobicContact CB-CE 3.93Å
399	A	90.7	Very high	92.6	Very high	25 Å²	25	11.4 Å²	11.4	21%	0.207	7%	0.067	C	C	.	.			trans	-94.9	130.1	-169.7	0	0	0	0	0	111.8	P364 D395 G397 L401 T402 F403	P364-A399 HydrophobicContact CG-CB 3.88Å; D395-A399 PolarHBondContact OD2-N 2.94Å; G397-A399 VanDerWaalsContact C-N 3.26Å; G397-A399 PolarHBondContact O-N 3.3Å; A399-L401 PolarHBondContact O-N 2.72Å; A399-T402 WeakPolarHBondContact O-CB 3.46Å; A399-T402 PolarHBondContact O-N 3.15Å; A399-F403 PolarHBondContact O-N 3.26Å
400	M	90.3	Very high	92.4	Very high	15 Å²	15	11.3 Å²	11.3	7%	0.074	7%	0.067	C	C	.	.	H	α-helix	trans	-57.4	-35.7	178.3	-178	163.6	160.5	0	0	112.5	T402 F403 E404 W482 T483 W490	M400-T402 VanDerWaalsContact C-N 3.28Å; M400-T402 PolarHBondContact O-N 3.27Å; M400-F403 WeakPolarHBondContact O-CA 3.33Å; M400-F403 WeakPolarHBondContact O-CB 3.48Å; M400-F403 PolarHBondContact O-N 2.87Å; M400-E404 HydrophobicContact CE-CG 4.05Å; M400-E404 VanDerWaalsContact CE-OE1 3.23Å; M400-E404 WeakPolarHBondContact CE-OE1 3.41Å; M400-E404 HydrophobicContact CG-CG 4.05Å; M400-E404 PolarHBondContact O-N 2.72Å; M400-W482 HydrophobicContact CB-CB 4.45Å; M400-W482 HydrophobicContact CB-CG 4.4Å; M400-W482 HydrophobicContact SD-CB 3.8Å; M400-W482 HydrophobicContact SD-CG 4.45Å; M400-T483 WeakPolarHBondContact CE-O 3.23Å; M400-W490 HydrophobicContact CB-CD2 4Å; M400-W490 HydrophobicContact CB-CE3 4.47Å; M400-W490 HydrophobicContact CB-CG 4.18Å; M400-W490 HydrophobicContact CB-CZ2 4.5Å; M400-W490 HydrophobicContact CG-CD2 4.46Å; M400-W490 HydrophobicContact CG-CE3 4.5Å; M400-W490 HydrophobicContact SD-CB 4.46Å
401	L	91.8	Very high	92.3	Very high	14 Å²	14	15.2 Å²	15.2	7%	0.073	8%	0.084	C	C	.	.	H	α-helix	trans	-53.8	-40.7	171.5	174.9	60.5	0	0	0	113.1	P364 P369 A399 A405 L470 V471 A474	P364-L401 HydrophobicContact CB-CD2 3.77Å; P364-L401 HydrophobicContact CB-CG 4.18Å; P364-L401 HydrophobicContact CG-CB 4.35Å; P364-L401 HydrophobicContact CG-CD2 3.94Å; P364-L401 HydrophobicContact CG-CG 4.33Å; P369-L401 HydrophobicContact CG-CD1 4.17Å; P369-L401 HydrophobicContact CG-CD2 4.27Å; P369-L401 HydrophobicContact CG-CG 4.17Å; A399-L401 PolarHBondContact O-N 2.72Å; L401-A405 WeakPolarHBondContact O-CB 3.4Å; L401-A405 PolarHBondContact O-N 3.23Å; L401-A405 VanDerWaalsContact O-N 3.12Å; L401-L470 HydrophobicContact CD1-CB 3.89Å; L401-V471 HydrophobicContact CD1-CG2 4.02Å; L401-V471 HydrophobicContact CD2-CG2 4.28Å; L401-A474 HydrophobicContact CB-CB 3.84Å; L401-A474 HydrophobicContact CD1-CB 3.99Å; L401-A474 HydrophobicContact CD2-CB 3.69Å; L401-A474 HydrophobicContact CG-CB 4.04Å
402	T	91.9	Very high	92.2	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-67.6	-40.3	176.7	-54.1	0	0	0	0	110.6	T361 D395 A399 M400 L406 Y524	T361-T402 HydrophobicContact CG2-CG2 3.94Å; D395-T402 HydrophobicContact CB-CG2 4.11Å; A399-T402 WeakPolarHBondContact O-CB 3.46Å; A399-T402 PolarHBondContact O-N 3.15Å; M400-T402 VanDerWaalsContact C-N 3.28Å; M400-T402 PolarHBondContact O-N 3.27Å; T402-L406 HydrophobicContact CG2-CD1 4.29Å; T402-L406 WeakPolarHBondContact O-CB 3.17Å; T402-L406 VanDerWaalsContact O-CD1 3.27Å; T402-L406 WeakPolarHBondContact O-CD1 3.35Å; T402-L406 PolarHBondContact O-N 2.89Å; T402-L406 VanDerWaalsContact O-N 3.13Å; T402-Y524 HydrophobicContact CG2-CE2 4.31Å
403	F	91.4	Very high	92	Very high	12 Å²	12	15.6 Å²	15.6	5%	0.053	9%	0.086	C	C	.	.	H	α-helix	trans	-66.9	-51.3	-179.5	-179.9	-95.5	0	0	0	112.5	L7 A22 A399 M400 L406 S407 M484 W490 Q503 F505 Y524	L7-F403 HydrophobicContact CB-CZ 4.39Å; L7-F403 HydrophobicContact CD1-CE2 3.94Å; L7-F403 HydrophobicContact CD2-CE2 4.48Å; L7-F403 HydrophobicContact CD2-CZ 4.48Å; A22-F403 HydrophobicContact CB-CE1 4.26Å; A22-F403 HydrophobicContact CB-CZ 3.87Å; A399-F403 PolarHBondContact O-N 3.26Å; M400-F403 WeakPolarHBondContact O-CA 3.33Å; M400-F403 WeakPolarHBondContact O-CB 3.48Å; M400-F403 PolarHBondContact O-N 2.87Å; F403-L406 WeakPolarHBondContact O-CB 3.38Å; F403-L406 PolarHBondContact O-N 2.81Å; F403-L406 VanDerWaalsContact O-N 3.14Å; F403-S407 PolarHBondContact O-N 3.24Å; F403-S407 VanDerWaalsContact O-N 3.09Å; F403-M484 HydrophobicContact CE1-CE 4.34Å; F403-W490 HydrophobicContact CB-CH2 3.64Å; F403-W490 HydrophobicContact CB-CZ2 4.33Å; F403-W490 HydrophobicContact CB-CZ3 4.19Å; F403-W490 HydrophobicContact CD1-CH2 4.3Å; F403-W490 HydrophobicContact CD1-CZ3 4.03Å; F403-W490 AromaticContact CD2-CH2 3.98Å; F403-W490 HydrophobicContact CD2-CH2 3.98Å; F403-W490 HydrophobicContact CD2-CZ3 4.28Å; F403-W490 AromaticContact CG-CH2 3.71Å; F403-W490 HydrophobicContact CG-CH2 3.71Å; F403-W490 AromaticContact CG-CZ3 3.9Å; F403-W490 HydrophobicContact CG-CZ3 3.9Å; F403-Q503 HydrophobicContact CE2-CB 3.87Å; F403-Q503 HydrophobicContact CE2-CG 3.83Å; F403-Q503 HydrophobicContact CZ-CG 4.2Å; F403-F505 HydrophobicContact CD2-CZ 4.09Å; F403-F505 HydrophobicContact CE2-CE1 4.3Å; F403-F505 AromaticContact CE2-CZ 3.72Å; F403-F505 HydrophobicContact CE2-CZ 3.72Å; F403-F505 HydrophobicContact CZ-CE1 4.2Å; F403-F505 HydrophobicContact CZ-CZ 4.04Å; F403-Y524 AromaticContact CD2-CD1 3.92Å; F403-Y524 HydrophobicContact CD2-CD1 3.92Å; F403-Y524 AromaticContact CD2-CE1 3.98Å; F403-Y524 HydrophobicContact CD2-CE1 3.98Å; F403-Y524 HydrophobicContact CD2-CG 4.23Å; F403-Y524 HydrophobicContact CE2-CD1 4.37Å
404	E	90.6	Very high	91.9	Very high	43 Å²	43	19.1 Å²	19.1	20%	0.201	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-41.7	179.3	-67	-169.7	122.4	0	0	111.9	M400 L406 S407 E408 L470	M400-E404 HydrophobicContact CE-CG 4.05Å; M400-E404 VanDerWaalsContact CE-OE1 3.23Å; M400-E404 WeakPolarHBondContact CE-OE1 3.41Å; M400-E404 HydrophobicContact CG-CG 4.05Å; M400-E404 PolarHBondContact O-N 2.72Å; E404-L406 PolarHBondContact O-N 3.22Å; E404-S407 PolarHBondContact O-N 3.47Å; E404-E408 PolarHBondContact O-N 2.77Å; E404-L470 HydrophobicContact CB-CD1 3.96Å; E404-L470 HydrophobicContact CB-CD2 4.46Å
405	A	92.5	Very high	91.9	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-59.7	-33.3	173.5	0	0	0	0	0	112.1	P369 L401 T409 I467	P369-A405 HydrophobicContact CB-CB 3.73Å; L401-A405 WeakPolarHBondContact O-CB 3.4Å; L401-A405 PolarHBondContact O-N 3.23Å; L401-A405 VanDerWaalsContact O-N 3.12Å; A405-T409 VanDerWaalsContact O-CB 3.24Å; A405-T409 WeakPolarHBondContact O-CB 3.33Å; A405-T409 PolarHBondContact O-N 2.62Å; A405-T409 PolarHBondContact O-OG1 2.89Å; A405-I467 HydrophobicContact CB-CD1 3.84Å
406	L	92.6	Very high	92	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-70.9	-34.3	173.4	-106.6	78.1	0	0	0	113.2	V393 T402 F403 E404 T409 A410 F505 Y524	V393-L406 HydrophobicContact CB-CD2 3.89Å; V393-L406 HydrophobicContact CG1-CD1 4.37Å; V393-L406 HydrophobicContact CG1-CD2 4.14Å; V393-L406 HydrophobicContact CG2-CD2 3.95Å; T402-L406 HydrophobicContact CG2-CD1 4.29Å; T402-L406 WeakPolarHBondContact O-CB 3.17Å; T402-L406 VanDerWaalsContact O-CD1 3.27Å; T402-L406 WeakPolarHBondContact O-CD1 3.35Å; T402-L406 PolarHBondContact O-N 2.89Å; T402-L406 VanDerWaalsContact O-N 3.13Å; F403-L406 WeakPolarHBondContact O-CB 3.38Å; F403-L406 PolarHBondContact O-N 2.81Å; F403-L406 VanDerWaalsContact O-N 3.14Å; E404-L406 PolarHBondContact O-N 3.22Å; L406-T409 WeakPolarHBondContact O-CB 3.34Å; L406-T409 PolarHBondContact O-N 3.06Å; L406-A410 WeakPolarHBondContact O-CB 3.46Å; L406-A410 PolarHBondContact O-N 3.26Å; L406-F505 HydrophobicContact CB-CE2 3.9Å; L406-F505 HydrophobicContact CB-CZ 4.26Å; L406-F505 HydrophobicContact CD2-CE2 4.14Å; L406-Y524 HydrophobicContact CD2-CD2 4.09Å
407	S	90.2	Very high	92.2	Very high	33 Å²	33	22.5 Å²	22.5	23%	0.231	11%	0.114	C	C	.	.	H	α-helix	trans	-67.5	-49.4	176.5	-164.7	0	0	0	0	111.1	F403 E404 T409 A410 E411	F403-S407 PolarHBondContact O-N 3.24Å; F403-S407 VanDerWaalsContact O-N 3.09Å; E404-S407 PolarHBondContact O-N 3.47Å; S407-T409 PolarHBondContact O-N 2.88Å; S407-A410 WeakPolarHBondContact O-CA 3.45Å; S407-A410 WeakPolarHBondContact O-CB 3.4Å; S407-A410 PolarHBondContact O-N 2.93Å; S407-E411 PolarHBondContact O-N 2.93Å
408	E	92.5	Very high	92.5	Very high	46 Å²	46	22.5 Å²	22.5	22%	0.215	11%	0.112	C	C	.	.	H	α-helix	trans	-57.9	-36.9	171.1	-77.3	-68.3	171.8	0	0	112.3	E404 A410 E411 F412 F463 K466 I467 L470	E404-E408 PolarHBondContact O-N 2.77Å; E408-A410 VanDerWaalsContact C-N 3.34Å; E408-E411 PolarHBondContact O-N 2.76Å; E408-F412 PolarHBondContact O-N 2.99Å; E408-F463 HydrophobicContact CB-CE2 4.11Å; E408-K466 HydrophobicContact CG-CD 4.42Å; E408-K466 VanDerWaalsContact OE1-CD 3.3Å; E408-K466 WeakPolarHBondContact OE1-CD 3.45Å; E408-K466 IonicContact OE1-NZ 2.86Å; E408-K466 PolarHBondContact OE1-NZ 2.79Å; E408-K466 WeakPolarHBondContact OE2-CD 3.43Å; E408-K466 WeakPolarHBondContact OE2-CE 3.14Å; E408-K466 IonicContact OE2-NZ 3.09Å; E408-K466 PolarHBondContact OE2-NZ 3.05Å; E408-I467 HydrophobicContact CB-CD1 4.03Å; E408-L470 HydrophobicContact CG-CD1 4.24Å
409	T	94.5	Very high	92.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-36.6	173.9	-61.5	0	0	0	0	111.9	A373 V376 L377 A405 L406 S407 A413	A373-T409 HydrophobicContact CB-CG2 4.1Å; A373-T409 WeakPolarHBondContact CB-OG1 3.15Å; V376-T409 HydrophobicContact CB-CG2 4.3Å; V376-T409 HydrophobicContact CG1-CG2 4.05Å; L377-T409 HydrophobicContact CD1-CG2 4.17Å; L377-T409 HydrophobicContact CD2-CG2 4.03Å; L377-T409 HydrophobicContact CG-CG2 3.73Å; A405-T409 VanDerWaalsContact O-CB 3.24Å; A405-T409 WeakPolarHBondContact O-CB 3.33Å; A405-T409 PolarHBondContact O-N 2.62Å; A405-T409 PolarHBondContact O-OG1 2.89Å; L406-T409 WeakPolarHBondContact O-CB 3.34Å; L406-T409 PolarHBondContact O-N 3.06Å; S407-T409 PolarHBondContact O-N 2.88Å; T409-A413 VanDerWaalsContact O-CB 3.24Å; T409-A413 WeakPolarHBondContact O-CB 3.42Å; T409-A413 PolarHBondContact O-N 2.89Å
410	A	91.7	Very high	92.8	Very high	6 Å²	6	21.6 Å²	21.6	5%	0.05	10%	0.103	C	C	.	.	H	α-helix	trans	-68.9	-39.1	176.2	0	0	0	0	0	111.6	L406 S407 E408 A413 R414 F505 L506 L522	L406-A410 WeakPolarHBondContact O-CB 3.46Å; L406-A410 PolarHBondContact O-N 3.26Å; S407-A410 WeakPolarHBondContact O-CA 3.45Å; S407-A410 WeakPolarHBondContact O-CB 3.4Å; S407-A410 PolarHBondContact O-N 2.93Å; E408-A410 VanDerWaalsContact C-N 3.34Å; A410-A413 PolarHBondContact O-N 3.45Å; A410-R414 WeakPolarHBondContact O-CG 3.48Å; A410-R414 PolarHBondContact O-N 2.97Å; A410-F505 HydrophobicContact CB-CB 3.89Å; A410-F505 HydrophobicContact CB-CG 4.36Å; A410-L506 HydrophobicContact CB-CD1 4.28Å; A410-L506 HydrophobicContact CB-CD2 4.35Å; A410-L506 HydrophobicContact CB-CG 4.12Å; A410-L522 HydrophobicContact CB-CD2 4.24Å
411	E	90.8	Very high	92.8	Very high	89 Å²	89	24.1 Å²	24.1	42%	0.416	11%	0.113	S	C	.	.	H	α-helix	trans	-59.3	-54.7	170.6	-68.5	-128.9	112.9	0	0	111.5	S407 E408 A413 R414	S407-E411 PolarHBondContact O-N 2.93Å; E408-E411 PolarHBondContact O-N 2.76Å; E411-A413 VanDerWaalsContact C-N 3.27Å; E411-A413 PolarHBondContact O-N 3.17Å; E411-R414 WeakPolarHBondContact O-CB 3.45Å; E411-R414 PolarHBondContact O-N 2.89Å; E411-R414 VanDerWaalsContact O-N 3.09Å
412	F	95	Very high	92.8	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-33.5	-179.5	-177.5	-102.9	0	0	0	112.2	L377 E408 R414 K415 W416 P430 M456 D459 Y460 F463	L377-F412 HydrophobicContact CD1-CD1 3.71Å; L377-F412 HydrophobicContact CD1-CE1 4.06Å; L377-F412 HydrophobicContact CD2-CD1 3.83Å; L377-F412 HydrophobicContact CD2-CE1 4.44Å; L377-F412 HydrophobicContact CG-CD1 4.45Å; E408-F412 PolarHBondContact O-N 2.99Å; F412-R414 PolarHBondContact O-N 2.81Å; F412-K415 PolarHBondContact O-N 2.8Å; F412-W416 HydrophobicContact CD1-CB 3.99Å; F412-W416 HydrophobicContact CE1-CB 3.56Å; F412-W416 HydrophobicContact CE1-CD2 4.18Å; F412-W416 HydrophobicContact CE1-CE3 4.42Å; F412-W416 AromaticContact CE1-CG 3.83Å; F412-W416 HydrophobicContact CE1-CG 3.83Å; F412-W416 HydrophobicContact CZ-CB 4Å; F412-W416 HydrophobicContact CZ-CD2 4.44Å; F412-W416 HydrophobicContact CZ-CE3 4.23Å; F412-W416 HydrophobicContact CZ-CG 4.38Å; F412-W416 WeakPolarHBondContact O-CB 3.16Å; F412-W416 PolarHBondContact O-N 2.81Å; F412-P430 HydrophobicContact CE1-CG 4.22Å; F412-M456 HydrophobicContact CE2-SD 4.27Å; F412-M456 HydrophobicContact CZ-SD 4.21Å; F412-D459 HydrophobicContact CE2-CB 4.08Å; F412-Y460 AromaticContact CE1-CD2 3.76Å; F412-Y460 HydrophobicContact CE1-CD2 3.76Å; F412-Y460 HydrophobicContact CE1-CE2 4.49Å; F412-Y460 HydrophobicContact CE2-CD2 4.32Å; F412-Y460 AromaticContact CZ-CD2 3.62Å; F412-Y460 HydrophobicContact CZ-CD2 3.62Å; F412-Y460 HydrophobicContact CZ-CG 4.19Å; F412-F463 HydrophobicContact CB-CD2 3.67Å; F412-F463 HydrophobicContact CB-CE2 4.04Å; F412-F463 HydrophobicContact CB-CG 4.06Å; F412-F463 HydrophobicContact CD1-CD1 4.31Å; F412-F463 HydrophobicContact CD1-CG 4.36Å; F412-F463 HydrophobicContact CD2-CB 3.91Å; F412-F463 HydrophobicContact CD2-CG 4.17Å; F412-F463 HydrophobicContact CE2-CB 4.43Å; F412-F463 HydrophobicContact CG-CB 4.18Å; F412-F463 HydrophobicContact CG-CD1 4.32Å; F412-F463 HydrophobicContact CG-CD2 4.07Å; F412-F463 AromaticContact CG-CG 3.92Å; F412-F463 HydrophobicContact CG-CG 3.92Å
413	A	94.3	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.7	-34.2	174.7	0	0	0	0	0	113.1	L377 L380 T409 A410 E411 K415 W416 V417 L506	L377-A413 HydrophobicContact CD2-CB 3.76Å; L380-A413 HydrophobicContact CD1-CB 3.75Å; T409-A413 VanDerWaalsContact O-CB 3.24Å; T409-A413 WeakPolarHBondContact O-CB 3.42Å; T409-A413 PolarHBondContact O-N 2.89Å; A410-A413 PolarHBondContact O-N 3.45Å; E411-A413 VanDerWaalsContact C-N 3.27Å; E411-A413 PolarHBondContact O-N 3.17Å; A413-K415 PolarHBondContact O-N 3.17Å; A413-W416 PolarHBondContact O-N 3.39Å; A413-V417 HydrophobicContact CB-CG2 4.28Å; A413-V417 VanDerWaalsContact O-CB 3.3Å; A413-V417 WeakPolarHBondContact O-CB 3.33Å; A413-V417 VanDerWaalsContact O-CG2 3.28Å; A413-V417 WeakPolarHBondContact O-CG2 3.35Å; A413-V417 PolarHBondContact O-N 2.91Å; A413-L506 HydrophobicContact CB-CD1 4.25Å
414	R	93.2	Very high	92.7	Very high	74 Å²	74	31.6 Å²	31.6	28%	0.279	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-27.1	176.9	-61.5	167.9	64.2	-148	-3.6	113.1	A410 E411 F412 P418 L506 V511 R512 V514 L519	A410-R414 WeakPolarHBondContact O-CG 3.48Å; A410-R414 PolarHBondContact O-N 2.97Å; E411-R414 WeakPolarHBondContact O-CB 3.45Å; E411-R414 PolarHBondContact O-N 2.89Å; E411-R414 VanDerWaalsContact O-N 3.09Å; F412-R414 PolarHBondContact O-N 2.81Å; R414-P418 WeakPolarHBondContact O-CD 3.48Å; R414-P418 WeakPolarHBondContact O-CG 3.44Å; R414-L506 HydrophobicContact CG-CD2 4.48Å; R414-V511 VanDerWaalsContact CZ-CG1 3.46Å; R414-V511 VanDerWaalsContact NE-CG1 3.29Å; R414-R512 PolarHBondContact NE-O 3.12Å; R414-V514 PolarHBondContact O-N 2.53Å; R414-L519 HydrophobicContact CB-CD1 4.32Å; R414-L519 HydrophobicContact CG-CD1 3.69Å
415	K	94.4	Very high	92.6	Very high	84 Å²	84	29.6 Å²	29.6	37%	0.365	15%	0.145	S	C	.	.	H	α-helix	trans	-89.6	-47.5	173.6	-59.1	-176	176.4	-176.7	0	111.4	F412 A413 M456 D459 V514	F412-K415 PolarHBondContact O-N 2.8Å; A413-K415 PolarHBondContact O-N 3.17Å; K415-M456 HydrophobicContact CB-CE 4.03Å; K415-M456 HydrophobicContact CB-SD 4.3Å; K415-M456 WeakPolarHBondContact O-CE 3.48Å; K415-D459 HydrophobicContact CD-CB 4.36Å; K415-D459 VanDerWaalsContact CD-OD2 3.23Å; K415-D459 WeakPolarHBondContact CD-OD2 3.35Å; K415-D459 WeakPolarHBondContact CE-OD2 3.49Å; K415-D459 IonicContact NZ-OD2 3.16Å; K415-D459 PolarHBondContact NZ-OD2 3.07Å; K415-V514 HydrophobicContact CG-CG1 4.38Å
416	W	95.9	Very high	92.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.9	-44.5	-172.8	-179.9	-116.8	0	0	0	113.6	L377 F412 A413 F419 C420 I425 R428 P430 Y433 F434 M456	L377-W416 HydrophobicContact CD2-CB 4.46Å; F412-W416 HydrophobicContact CD1-CB 3.99Å; F412-W416 HydrophobicContact CE1-CB 3.56Å; F412-W416 HydrophobicContact CE1-CD2 4.18Å; F412-W416 HydrophobicContact CE1-CE3 4.42Å; F412-W416 AromaticContact CE1-CG 3.83Å; F412-W416 HydrophobicContact CE1-CG 3.83Å; F412-W416 HydrophobicContact CZ-CB 4Å; F412-W416 HydrophobicContact CZ-CD2 4.44Å; F412-W416 HydrophobicContact CZ-CE3 4.23Å; F412-W416 HydrophobicContact CZ-CG 4.38Å; F412-W416 WeakPolarHBondContact O-CB 3.16Å; F412-W416 PolarHBondContact O-N 2.81Å; A413-W416 PolarHBondContact O-N 3.39Å; W416-F419 AromaticContact CE3-CD1 3.94Å; W416-F419 HydrophobicContact CE3-CD1 3.94Å; W416-F419 HydrophobicContact CE3-CE1 4.39Å; W416-F419 HydrophobicContact CH2-CE1 4.37Å; W416-F419 AromaticContact CZ3-CD1 3.77Å; W416-F419 HydrophobicContact CZ3-CD1 3.77Å; W416-F419 AromaticContact CZ3-CE1 3.76Å; W416-F419 HydrophobicContact CZ3-CE1 3.76Å; W416-F419 PolarHBondContact O-N 2.94Å; W416-C420 VanDerWaalsContact O-CB 3.28Å; W416-C420 WeakPolarHBondContact O-CB 3.46Å; W416-C420 PolarHBondContact O-N 3.11Å; W416-I425 HydrophobicContact CH2-CG2 4.31Å; W416-R428 PolarHBondContact NE1-O 2.83Å; W416-P430 HydrophobicContact CD2-CB 4.35Å; W416-P430 HydrophobicContact CE3-CB 4.44Å; W416-P430 HydrophobicContact CH2-CB 3.94Å; W416-P430 HydrophobicContact CZ2-CB 3.82Å; W416-P430 HydrophobicContact CZ2-CG 4.49Å; W416-P430 HydrophobicContact CZ3-CB 4.25Å; W416-Y433 AromaticContact CH2-CD1 3.87Å; W416-Y433 HydrophobicContact CH2-CD1 3.87Å; W416-Y433 HydrophobicContact CH2-CE1 4.5Å; W416-Y433 HydrophobicContact CH2-CG 4.42Å; W416-F434 HydrophobicContact CH2-CE2 4.24Å; W416-F434 HydrophobicContact CH2-CZ 4.48Å; W416-F434 AromaticContact CZ3-CE2 3.88Å; W416-F434 HydrophobicContact CZ3-CE2 3.88Å; W416-F434 AromaticContact CZ3-CZ 3.96Å; W416-F434 HydrophobicContact CZ3-CZ 3.96Å; W416-M456 HydrophobicContact CE3-CG 3.68Å; W416-M456 HydrophobicContact CE3-SD 3.91Å; W416-M456 HydrophobicContact CZ3-CG 3.84Å
417	V	94.1	Very high	92.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-50.4	-174.1	174.7	0	0	0	0	113.4	L380 A381 A413 C420 K421 L519	L380-V417 HydrophobicContact CB-CG2 3.9Å; A381-V417 HydrophobicContact CB-CG2 4.35Å; A413-V417 HydrophobicContact CB-CG2 4.28Å; A413-V417 VanDerWaalsContact O-CB 3.3Å; A413-V417 WeakPolarHBondContact O-CB 3.33Å; A413-V417 VanDerWaalsContact O-CG2 3.28Å; A413-V417 WeakPolarHBondContact O-CG2 3.35Å; A413-V417 PolarHBondContact O-N 2.91Å; V417-C420 WeakPolarHBondContact O-CB 3.4Å; V417-C420 PolarHBondContact O-N 3.47Å; V417-K421 HydrophobicContact CG1-CD 4.04Å; V417-K421 WeakPolarHBondContact O-CG 3.47Å; V417-K421 PolarHBondContact O-N 3.26Å; V417-L519 HydrophobicContact CB-CD2 3.74Å; V417-L519 HydrophobicContact CG1-CD2 3.78Å; V417-L519 HydrophobicContact CG2-CD2 4.04Å
418	P	93.3	Very high	92.4	Very high	8 Å²	8	32 Å²	32	5%	0.052	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-45.8	176.8	20.5	-30.7	0	0	0	111.6	R414 C420 K421 K422 D513 V514	R414-P418 WeakPolarHBondContact O-CD 3.48Å; R414-P418 WeakPolarHBondContact O-CG 3.44Å; P418-C420 VanDerWaalsContact C-N 3.33Å; P418-C420 PolarHBondContact O-N 3.27Å; P418-K421 PolarHBondContact O-N 3.49Å; P418-K421 VanDerWaalsContact O-N 3.17Å; P418-K422 WeakPolarHBondContact O-CB 3.41Å; P418-K422 PolarHBondContact O-N 3.06Å; P418-D513 HydrophobicContact CG-CB 4.21Å; P418-V514 HydrophobicContact CG-CG2 3.98Å
419	F	94.1	Very high	92.5	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-54.7	-46.2	173.7	172.1	-93.9	0	0	0	112.4	W416 K421 Y423 I425 F449 E452 R453 M456	W416-F419 AromaticContact CE3-CD1 3.94Å; W416-F419 HydrophobicContact CE3-CD1 3.94Å; W416-F419 HydrophobicContact CE3-CE1 4.39Å; W416-F419 HydrophobicContact CH2-CE1 4.37Å; W416-F419 AromaticContact CZ3-CD1 3.77Å; W416-F419 HydrophobicContact CZ3-CD1 3.77Å; W416-F419 AromaticContact CZ3-CE1 3.76Å; W416-F419 HydrophobicContact CZ3-CE1 3.76Å; W416-F419 PolarHBondContact O-N 2.94Å; F419-K421 PolarHBondContact O-N 2.94Å; F419-Y423 AromaticContact CD2-CD2 3.48Å; F419-Y423 HydrophobicContact CD2-CD2 3.48Å; F419-Y423 VanDerWaalsContact CD2-CD2 3.48Å; F419-Y423 AromaticContact CD2-CE2 3.63Å; F419-Y423 HydrophobicContact CD2-CE2 3.63Å; F419-Y423 AromaticContact CE2-CD2 3.47Å; F419-Y423 HydrophobicContact CE2-CD2 3.47Å; F419-Y423 VanDerWaalsContact CE2-CD2 3.47Å; F419-Y423 AromaticContact CE2-CE2 3.7Å; F419-Y423 HydrophobicContact CE2-CE2 3.7Å; F419-Y423 HydrophobicContact CG-CD2 4.17Å; F419-Y423 HydrophobicContact CZ-CD2 4.19Å; F419-Y423 WeakPolarHBondContact O-CD2 3.42Å; F419-Y423 PolarHBondContact O-N 2.95Å; F419-Y423 VanDerWaalsContact O-N 3.14Å; F419-I425 HydrophobicContact CD1-CG1 4.25Å; F419-I425 HydrophobicContact CE1-CD1 4.13Å; F419-I425 HydrophobicContact CE1-CG1 3.8Å; F419-I425 HydrophobicContact CZ-CD1 4.29Å; F419-I425 HydrophobicContact CZ-CG1 4.42Å; F419-F449 HydrophobicContact CZ-CE2 4.33Å; F419-E452 HydrophobicContact CD2-CB 4.31Å; F419-E452 HydrophobicContact CE2-CB 4.18Å; F419-R453 HydrophobicContact CE2-CB 4.3Å; F419-R453 HydrophobicContact CZ-CB 4.04Å; F419-R453 HydrophobicContact CZ-CG 4.33Å; F419-M456 HydrophobicContact CB-CE 3.82Å; F419-M456 HydrophobicContact CD1-CB 4.4Å; F419-M456 HydrophobicContact CD1-CG 3.73Å; F419-M456 HydrophobicContact CD2-CB 4.24Å; F419-M456 HydrophobicContact CD2-CE 4.43Å; F419-M456 HydrophobicContact CD2-CG 4.34Å; F419-M456 HydrophobicContact CE1-CB 4.33Å; F419-M456 HydrophobicContact CE1-CG 3.94Å; F419-M456 HydrophobicContact CE2-CB 4.19Å; F419-M456 HydrophobicContact CG-CB 4.36Å; F419-M456 HydrophobicContact CG-CE 4.09Å; F419-M456 HydrophobicContact CG-CG 3.95Å; F419-M456 HydrophobicContact CZ-CB 4.24Å; F419-M456 HydrophobicContact CZ-CG 4.35Å
420	C	93.4	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-48.2	177.5	-124.3	0	0	0	0	111.5	A381 W416 V417 P418 C424 I425 R428	A381-C420 HydrophobicContact CB-CB 3.95Å; W416-C420 VanDerWaalsContact O-CB 3.28Å; W416-C420 WeakPolarHBondContact O-CB 3.46Å; W416-C420 PolarHBondContact O-N 3.11Å; V417-C420 WeakPolarHBondContact O-CB 3.4Å; V417-C420 PolarHBondContact O-N 3.47Å; P418-C420 VanDerWaalsContact C-N 3.33Å; P418-C420 PolarHBondContact O-N 3.27Å; C420-C424 WeakPolarHBondContact O-CA 3.41Å; C420-C424 PolarHBondContact O-N 3.41Å; C420-C424 VanDerWaalsContact O-N 3.09Å; C420-I425 PolarHBondContact O-N 2.9Å; C420-R428 PolarHBondContact O-NH1 3.49Å; C420-R428 VanDerWaalsContact SG-CD 3.59Å
421	K	91.1	Very high	92.5	Very high	68 Å²	68	31 Å²	31	30%	0.296	15%	0.147	S	C	.	.	H	α-helix	trans	-70.1	-51.2	-176.9	-71.9	-179	178.3	-179.8	0	111.1	V382 V417 P418 F419 Y423 C424	V382-K421 VanDerWaalsContact O-CE 3.31Å; V382-K421 WeakPolarHBondContact O-CE 3.17Å; V417-K421 HydrophobicContact CG1-CD 4.04Å; V417-K421 WeakPolarHBondContact O-CG 3.47Å; V417-K421 PolarHBondContact O-N 3.26Å; P418-K421 PolarHBondContact O-N 3.49Å; P418-K421 VanDerWaalsContact O-N 3.17Å; F419-K421 PolarHBondContact O-N 2.94Å; K421-Y423 VanDerWaalsContact C-N 3.28Å; K421-Y423 PolarHBondContact O-N 3.01Å; K421-C424 PolarHBondContact O-N 2.89Å
422	K	91.4	Very high	92.3	Very high	91 Å²	91	30.4 Å²	30.4	40%	0.396	14%	0.141	S	C	.	.	H	α-helix	trans	-50.3	-41.6	176.6	-176.7	178.5	-178.7	-176.4	0	113.4	P418 E452	P418-K422 WeakPolarHBondContact O-CB 3.41Å; P418-K422 PolarHBondContact O-N 3.06Å; K422-E452 WeakPolarHBondContact CE-OE2 3.16Å; K422-E452 VanDerWaalsContact NZ-CD 3.28Å; K422-E452 IonicContact NZ-OE1 3.66Å; K422-E452 PolarHBondContact NZ-OE1 2.88Å; K422-E452 VanDerWaalsContact NZ-OE1 3.09Å; K422-E452 IonicContact NZ-OE2 2.8Å; K422-E452 PolarHBondContact NZ-OE2 2.95Å
423	Y	90.9	Very high	92.1	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-102.5	0.6	-176.8	-67.4	-58.6	0	0	0	115.9	F419 K421 I425 K444 H446 F449 E452	F419-Y423 AromaticContact CD2-CD2 3.48Å; F419-Y423 HydrophobicContact CD2-CD2 3.48Å; F419-Y423 VanDerWaalsContact CD2-CD2 3.48Å; F419-Y423 AromaticContact CD2-CE2 3.63Å; F419-Y423 HydrophobicContact CD2-CE2 3.63Å; F419-Y423 AromaticContact CE2-CD2 3.47Å; F419-Y423 HydrophobicContact CE2-CD2 3.47Å; F419-Y423 VanDerWaalsContact CE2-CD2 3.47Å; F419-Y423 AromaticContact CE2-CE2 3.7Å; F419-Y423 HydrophobicContact CE2-CE2 3.7Å; F419-Y423 HydrophobicContact CG-CD2 4.17Å; F419-Y423 HydrophobicContact CZ-CD2 4.19Å; F419-Y423 WeakPolarHBondContact O-CD2 3.42Å; F419-Y423 PolarHBondContact O-N 2.95Å; F419-Y423 VanDerWaalsContact O-N 3.14Å; K421-Y423 VanDerWaalsContact C-N 3.28Å; K421-Y423 PolarHBondContact O-N 3.01Å; Y423-I425 VanDerWaalsContact C-N 3.33Å; Y423-I425 PolarHBondContact O-N 3.16Å; Y423-K444 PolarHBondContact O-NZ 3.17Å; Y423-H446 HydrophobicContact CD1-CB 4.26Å; Y423-H446 HydrophobicContact CE1-CB 3.79Å; Y423-H446 AromaticContact CE1-CG 3.62Å; Y423-H446 AromaticContact CE1-ND1 3.58Å; Y423-F449 HydrophobicContact CD1-CB 4.16Å; Y423-F449 AromaticContact CD1-CD2 3.68Å; Y423-F449 HydrophobicContact CD1-CD2 3.68Å; Y423-F449 HydrophobicContact CD1-CG 4.28Å; Y423-F449 HydrophobicContact CD2-CD2 4.03Å; Y423-F449 HydrophobicContact CE1-CB 3.83Å; Y423-F449 HydrophobicContact CE1-CD2 4.05Å; Y423-F449 HydrophobicContact CE1-CG 4.4Å; Y423-F449 HydrophobicContact CE2-CD2 4.33Å; Y423-F449 AromaticContact CG-CD2 3.69Å; Y423-F449 HydrophobicContact CG-CD2 3.69Å; Y423-F449 HydrophobicContact CG-CE2 4.24Å; Y423-E452 HydrophobicContact CE2-CB 3.95Å; Y423-E452 WeakPolarHBondContact CE2-OE2 3.49Å; Y423-E452 PolarHBondContact OH-OE1 2.89Å; Y423-E452 VanDerWaalsContact OH-OE1 3.1Å; Y423-E452 PolarHBondContact OH-OE2 2.83Å
424	C	89.6	Confident	92	Very high	85 Å²	85	32 Å²	32	57%	0.574	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.5	57	-172.1	-69.3	0	0	0	0	111.9	C420 K421 K444	C420-C424 WeakPolarHBondContact O-CA 3.41Å; C420-C424 PolarHBondContact O-N 3.41Å; C420-C424 VanDerWaalsContact O-N 3.09Å; K421-C424 PolarHBondContact O-N 2.89Å; C424-K444 PolarHBondContact O-NZ 2.83Å
425	I	90.1	Very high	91.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.			trans	-72.8	132.8	176.9	-56.9	-57.5	0	0	0	109.6	W416 F419 C420 Y423 R428 Y433 F449	W416-I425 HydrophobicContact CH2-CG2 4.31Å; F419-I425 HydrophobicContact CD1-CG1 4.25Å; F419-I425 HydrophobicContact CE1-CD1 4.13Å; F419-I425 HydrophobicContact CE1-CG1 3.8Å; F419-I425 HydrophobicContact CZ-CD1 4.29Å; F419-I425 HydrophobicContact CZ-CG1 4.42Å; C420-I425 PolarHBondContact O-N 2.9Å; Y423-I425 VanDerWaalsContact C-N 3.33Å; Y423-I425 PolarHBondContact O-N 3.16Å; I425-R428 WeakPolarHBondContact O-CD 3.19Å; I425-R428 PolarHBondContact O-NE 3.48Å; I425-R428 PolarHBondContact O-NH1 2.94Å; I425-Y433 HydrophobicContact CG2-CD1 4.14Å; I425-Y433 HydrophobicContact CG2-CD2 3.55Å; I425-Y433 HydrophobicContact CG2-CE1 4.14Å; I425-Y433 HydrophobicContact CG2-CE2 3.58Å; I425-Y433 HydrophobicContact CG2-CG 3.84Å; I425-F449 HydrophobicContact CD1-CE2 3.83Å; I425-F449 HydrophobicContact CD1-CZ 4.38Å
426	E	87.7	Confident	90.7	Very high	70 Å²	70	32.1 Å²	32.1	33%	0.327	16%	0.16	S	C	.	.	S	Bend	trans	-139.9	136.9	168.4	-63.5	-166.3	135.9	0	0	108.5	S570	E426-S570 WeakPolarHBondContact OE1-CB 3.31Å; E426-S570 PolarHBondContact OE1-N 3.03Å; E426-S570 PolarHBondContact OE1-OG 2.67Å
427	P	91.3	Very high	89.7	Confident	13 Å²	13	41.1 Å²	41.1	8%	0.084	20%	0.199	C	C	.	.	S	Bend	cis	-64	164.8	-2.7	28.8	-36.5	0	0	0	113.8	W432 Y566	P427-W432 HydrophobicContact CG-CB 4.23Å; P427-Y566 HydrophobicContact CB-CE2 3.72Å
428	R	92.1	Very high	88.6	Confident	8 Å²	8	46.9 Å²	46.9	3%	0.03	23%	0.227	C	C	.	.	S	Bend	trans	-88.1	-13.2	-178.6	-61.8	-66.4	177.7	165.5	4.4	114.5	A381 W416 C420 I425 S570	A381-R428 HydrophobicContact CB-CB 4.29Å; W416-R428 PolarHBondContact NE1-O 2.83Å; C420-R428 PolarHBondContact O-NH1 3.49Å; C420-R428 VanDerWaalsContact SG-CD 3.59Å; I425-R428 WeakPolarHBondContact O-CD 3.19Å; I425-R428 PolarHBondContact O-NE 3.48Å; I425-R428 PolarHBondContact O-NH1 2.94Å; R428-S570 PolarHBondContact NE-OG 3.33Å; R428-S570 PolarHBondContact NH2-OG 3.15Å
429	A	93.5	Very high	88	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-81.9	123.8	171.7	0	0	0	0	0	109.8	N374 W432 Y433 Y566	N374-A429 HydrophobicContact CB-CB 4.28Å; A429-W432 HydrophobicContact CB-CB 4.5Å; A429-Y433 WeakPolarHBondContact O-CB 3.39Å; A429-Y433 PolarHBondContact O-N 2.87Å; A429-Y433 VanDerWaalsContact O-N 3.09Å; A429-Y566 HydrophobicContact CB-CD2 3.66Å; A429-Y566 HydrophobicContact CB-CE2 4.25Å; A429-Y566 HydrophobicContact CB-CG 3.85Å
430	P	93.9	Very high	87.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-40.2	-173.6	23.5	-34.1	0	0	0	114.4	N374 L377 F412 W416 W432 Y433 F434 Y460	N374-P430 WeakPolarHBondContact OD1-CD 3.12Å; N374-P430 WeakPolarHBondContact OD1-CG 3.48Å; L377-P430 HydrophobicContact CD1-CG 3.92Å; F412-P430 HydrophobicContact CE1-CG 4.22Å; W416-P430 HydrophobicContact CD2-CB 4.35Å; W416-P430 HydrophobicContact CE3-CB 4.44Å; W416-P430 HydrophobicContact CH2-CB 3.94Å; W416-P430 HydrophobicContact CZ2-CB 3.82Å; W416-P430 HydrophobicContact CZ2-CG 4.49Å; W416-P430 HydrophobicContact CZ3-CB 4.25Å; P430-W432 PolarHBondContact O-N 3.36Å; P430-Y433 PolarHBondContact O-N 2.91Å; P430-Y433 VanDerWaalsContact O-N 3.14Å; P430-F434 HydrophobicContact CB-CD2 4.09Å; P430-F434 HydrophobicContact CB-CE2 4.05Å; P430-F434 WeakPolarHBondContact O-CD2 3.34Å; P430-F434 PolarHBondContact O-N 3.01Å; P430-Y460 HydrophobicContact CB-CD1 4.37Å; P430-Y460 HydrophobicContact CB-CD2 3.59Å; P430-Y460 HydrophobicContact CB-CE1 4.34Å; P430-Y460 HydrophobicContact CB-CE2 3.56Å; P430-Y460 HydrophobicContact CB-CG 4.02Å; P430-Y460 HydrophobicContact CG-CD2 3.72Å; P430-Y460 HydrophobicContact CG-CE2 3.32Å
431	E	91.9	Very high	86.9	Confident	31 Å²	31	59.7 Å²	59.7	15%	0.145	29%	0.288	C	S	.	.	H	α-helix	trans	-55.2	-56.7	177.4	-168.5	71.7	-171.5	0	0	110.2	N374 Y433 F434 C435 Y460 K464	N374-E431 VanDerWaalsContact OD1-CB 3.25Å; N374-E431 WeakPolarHBondContact OD1-CB 3.49Å; N374-E431 PolarHBondContact OD1-N 2.92Å; E431-Y433 PolarHBondContact O-N 2.86Å; E431-F434 PolarHBondContact O-N 3.27Å; E431-C435 VanDerWaalsContact O-CB 3.3Å; E431-C435 WeakPolarHBondContact O-CB 3.45Å; E431-C435 PolarHBondContact O-N 3.43Å; E431-C435 PolarHBondContact O-SG 3.39Å; E431-Y460 WeakPolarHBondContact CB-OH 3.49Å; E431-Y460 VanDerWaalsContact OE2-CE1 3.26Å; E431-Y460 WeakPolarHBondContact OE2-CE1 3.37Å; E431-Y460 VanDerWaalsContact OE2-CZ 3.31Å; E431-Y460 PolarHBondContact OE2-OH 3.17Å; E431-K464 IonicContact OE1-NZ 2.9Å; E431-K464 PolarHBondContact OE1-NZ 2.87Å; E431-K464 IonicContact OE2-NZ 3.71Å
432	W	87.6	Confident	86.4	Confident	77 Å²	77	62.8 Å²	62.8	29%	0.292	30%	0.302	S	S	.	.	H	α-helix	trans	-66.9	-19.1	-179.4	-58.3	118.8	0	0	0	113.7	P427 A429 P430 H436 Y566	P427-W432 HydrophobicContact CG-CB 4.23Å; A429-W432 HydrophobicContact CB-CB 4.5Å; P430-W432 PolarHBondContact O-N 3.36Å; W432-H436 WeakPolarHBondContact O-CB 3.4Å; W432-Y566 HydrophobicContact CB-CE1 4.41Å; W432-Y566 HydrophobicContact CB-CE2 4.39Å; W432-Y566 AromaticContact CD1-CD1 3.45Å; W432-Y566 VanDerWaalsContact CD1-CD1 3.45Å; W432-Y566 AromaticContact CD1-CE1 3.18Å; W432-Y566 AromaticContact CD1-CZ 3.56Å; W432-Y566 HydrophobicContact CD2-CE1 4.28Å; W432-Y566 HydrophobicContact CG-CD1 4.4Å; W432-Y566 AromaticContact CG-CE1 3.73Å; W432-Y566 HydrophobicContact CG-CE1 3.73Å; W432-Y566 HydrophobicContact CG-CE2 4.5Å; W432-Y566 AromaticContact CG-CZ 3.77Å; W432-Y566 AromaticContact NE1-CD1 3.6Å; W432-Y566 AromaticContact NE1-CE1 3.43Å
433	Y	90.9	Very high	85.7	Confident	18 Å²	18	65.6 Å²	65.6	7%	0.071	32%	0.322	C	S	.	.	H	α-helix	trans	-81	-44.5	171.5	172.4	-107.3	0	0	0	112.5	W416 I425 A429 P430 E431 R453	W416-Y433 AromaticContact CH2-CD1 3.87Å; W416-Y433 HydrophobicContact CH2-CD1 3.87Å; W416-Y433 HydrophobicContact CH2-CE1 4.5Å; W416-Y433 HydrophobicContact CH2-CG 4.42Å; I425-Y433 HydrophobicContact CG2-CD1 4.14Å; I425-Y433 HydrophobicContact CG2-CD2 3.55Å; I425-Y433 HydrophobicContact CG2-CE1 4.14Å; I425-Y433 HydrophobicContact CG2-CE2 3.58Å; I425-Y433 HydrophobicContact CG2-CG 3.84Å; A429-Y433 WeakPolarHBondContact O-CB 3.39Å; A429-Y433 PolarHBondContact O-N 2.87Å; A429-Y433 VanDerWaalsContact O-N 3.09Å; P430-Y433 PolarHBondContact O-N 2.91Å; P430-Y433 VanDerWaalsContact O-N 3.14Å; E431-Y433 PolarHBondContact O-N 2.86Å; Y433-R453 WeakPolarHBondContact OH-CD 3.39Å; Y433-R453 PolarHBondContact OH-NE 3.02Å
434	F	91.7	Very high	85.4	Confident	23 Å²	23	68.1 Å²	68.1	10%	0.101	33%	0.333	C	S	.	.	H	α-helix	trans	-79.9	-32.7	-176.3	-71.3	-60.6	0	0	0	113.2	W416 P430 E431 H436 R453 M456 K457 Y460	W416-F434 HydrophobicContact CH2-CE2 4.24Å; W416-F434 HydrophobicContact CH2-CZ 4.48Å; W416-F434 AromaticContact CZ3-CE2 3.88Å; W416-F434 HydrophobicContact CZ3-CE2 3.88Å; W416-F434 AromaticContact CZ3-CZ 3.96Å; W416-F434 HydrophobicContact CZ3-CZ 3.96Å; P430-F434 HydrophobicContact CB-CD2 4.09Å; P430-F434 HydrophobicContact CB-CE2 4.05Å; P430-F434 WeakPolarHBondContact O-CD2 3.34Å; P430-F434 PolarHBondContact O-N 3.01Å; E431-F434 PolarHBondContact O-N 3.27Å; F434-H436 VanDerWaalsContact C-N 3.26Å; F434-H436 PolarHBondContact O-N 2.92Å; F434-R453 HydrophobicContact CE1-CG 4.49Å; F434-M456 HydrophobicContact CZ-CG 4.44Å; F434-K457 HydrophobicContact CD1-CB 4.15Å; F434-K457 HydrophobicContact CD1-CD 3.98Å; F434-K457 HydrophobicContact CD1-CG 3.92Å; F434-K457 HydrophobicContact CE1-CB 3.68Å; F434-K457 HydrophobicContact CE1-CD 4.38Å; F434-K457 HydrophobicContact CE1-CG 3.99Å; F434-K457 HydrophobicContact CG-CG 4.36Å; F434-K457 HydrophobicContact CZ-CB 4.06Å; F434-K457 HydrophobicContact CZ-CG 4.46Å; F434-Y460 AromaticContact CD2-CD1 3.56Å; F434-Y460 HydrophobicContact CD2-CD1 3.56Å; F434-Y460 HydrophobicContact CD2-CE1 4.24Å; F434-Y460 AromaticContact CD2-CG 3.95Å; F434-Y460 HydrophobicContact CD2-CG 3.95Å; F434-Y460 AromaticContact CE2-CD1 3.99Å; F434-Y460 HydrophobicContact CE2-CD1 3.99Å; F434-Y460 AromaticContact CE2-CG 3.9Å; F434-Y460 HydrophobicContact CE2-CG 3.9Å
435	C	85.1	Confident	85	Confident	75 Å²	75	70.9 Å²	70.9	51%	0.507	35%	0.346	S	S	.	.	S	Bend	trans	-74.5	-13.1	173.3	-62.7	0	0	0	0	113.4	E431 K437	E431-C435 VanDerWaalsContact O-CB 3.3Å; E431-C435 WeakPolarHBondContact O-CB 3.45Å; E431-C435 PolarHBondContact O-N 3.43Å; E431-C435 PolarHBondContact O-SG 3.39Å; C435-K437 PolarHBondContact O-N 2.98Å; C435-K437 VanDerWaalsContact O-N 3.16Å
436	H	76.3	Confident	84.7	Confident	86 Å²	86	75 Å²	75	40%	0.398	37%	0.366	S	S	.	.			trans	-71.6	111.7	-175.6	-138.9	-79.5	0	0	0	111.4	W432 F434 M438	W432-H436 WeakPolarHBondContact O-CB 3.4Å; F434-H436 VanDerWaalsContact C-N 3.26Å; F434-H436 PolarHBondContact O-N 2.92Å; H436-M438 PolarHBondContact CE1-SD 3.04Å; H436-M438 WeakPolarHBondContact ND1-CG 3.44Å; H436-M438 PolarHBondContact ND1-SD 3.02Å; H436-M438 PolarHBondContact O-N 3.32Å
437	K	73.6	Confident	84.7	Confident	189 Å²	189	77.6 Å²	77.6	82%	0.822	39%	0.388	S	S	*	.			trans	-72	45.9	177.6	-60.6	175.7	-177.1	170.1	0	112.5	C435 E970	C435-K437 PolarHBondContact O-N 2.98Å; C435-K437 VanDerWaalsContact O-N 3.16Å; K437-E970 IonicContact NZ-OE1 3.36Å; K437-E970 PolarHBondContact NZ-OE1 2.99Å
438	M	71.3	Confident	84.6	Confident	122 Å²	122	77.8 Å²	77.8	60%	0.601	39%	0.392	S	S	*	.	S	Bend	trans	-114.7	154.7	176.9	-85	-177.4	64.7	0	0	112	H436 Y440	H436-M438 PolarHBondContact CE1-SD 3.04Å; H436-M438 WeakPolarHBondContact ND1-CG 3.44Å; H436-M438 PolarHBondContact ND1-SD 3.02Å; H436-M438 PolarHBondContact O-N 3.32Å; M438-Y440 PolarHBondContact O-N 2.92Å; M438-Y440 VanDerWaalsContact O-N 3.1Å
439	D	80.5	Confident	84.6	Confident	99 Å²	99	77.6 Å²	77.6	53%	0.529	39%	0.391	S	S	.	.			trans	-60.6	110.5	170	170.8	18.8	0	0	0	111	L441 K442	D439-L441 WeakPolarHBondContact OD1-CB 3.49Å; D439-L441 PolarHBondContact OD1-N 3.39Å; D439-K442 PolarHBondContact OD1-N 3.42Å
440	Y	82.3	Confident	84.4	Confident	102 Å²	102	80.6 Å²	80.6	40%	0.4	41%	0.409	S	S	.	.	S	Bend	trans	-87.6	-9	-178.1	60.1	-92.8	0	0	0	113.7	M438 K444 F449 R453	M438-Y440 PolarHBondContact O-N 2.92Å; M438-Y440 VanDerWaalsContact O-N 3.1Å; Y440-K444 WeakPolarHBondContact O-CG 3.32Å; Y440-F449 HydrophobicContact CD2-CE1 4.31Å; Y440-F449 WeakPolarHBondContact O-CE1 3.4Å; Y440-R453 VanDerWaalsContact CG-CZ 3.44Å
441	L	83.1	Confident	84.3	Confident	83 Å²	83	88.9 Å²	88.9	44%	0.435	44%	0.44	S	S	.	.	S	Bend	trans	-83.8	-19.8	175	-60.6	176.2	0	0	0	111.7	D439 N443 K444 F449 V450	D439-L441 WeakPolarHBondContact OD1-CB 3.49Å; D439-L441 PolarHBondContact OD1-N 3.39Å; L441-N443 PolarHBondContact O-N 2.89Å; L441-K444 WeakPolarHBondContact O-CB 3.24Å; L441-K444 PolarHBondContact O-N 3.41Å; L441-F449 HydrophobicContact CD2-CD1 4.44Å; L441-F449 HydrophobicContact CD2-CE1 4.32Å; L441-V450 HydrophobicContact CD2-CG2 3.78Å
442	K	80.1	Confident	84.4	Confident	133 Å²	133	89.6 Å²	89.6	58%	0.578	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	122.4	-179.7	-166.6	165.8	-173.2	165.7	0	112.9	D439 K444	D439-K442 PolarHBondContact OD1-N 3.42Å; K442-K444 PolarHBondContact O-N 3.2Å
443	N	77.3	Confident	84.7	Confident	151 Å²	151	87.4 Å²	87.4	81%	0.807	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	15.8	-177.3	-48.8	-26.4	0	0	0	115.3	L441	L441-N443 PolarHBondContact O-N 2.89Å
444	K	83	Confident	84.8	Confident	65 Å²	65	94 Å²	94	28%	0.283	46%	0.46	S	S	.	.			trans	-98.6	113.7	177.5	-56.4	-58.5	-174.9	-174.5	0	110.1	Y423 C424 Y440 L441 K442 F449	Y423-K444 PolarHBondContact O-NZ 3.17Å; C424-K444 PolarHBondContact O-NZ 2.83Å; Y440-K444 WeakPolarHBondContact O-CG 3.32Å; L441-K444 WeakPolarHBondContact O-CB 3.24Å; L441-K444 PolarHBondContact O-N 3.41Å; K442-K444 PolarHBondContact O-N 3.2Å; K444-F449 HydrophobicContact CB-CD1 3.71Å; K444-F449 HydrophobicContact CB-CE1 3.83Å; K444-F449 HydrophobicContact CB-CG 4.35Å; K444-F449 HydrophobicContact CD-CE1 4.47Å; K444-F449 HydrophobicContact CD-CZ 4.4Å; K444-F449 HydrophobicContact CG-CD1 3.99Å; K444-F449 HydrophobicContact CG-CE1 3.6Å; K444-F449 HydrophobicContact CG-CZ 3.95Å
445	V	82.3	Confident	85	Confident	143 Å²	143	94.9 Å²	94.9	87%	0.867	47%	0.472	S	S	*	.			trans	-105.9	-5.9	-173.4	-61.4	0	0	0	0	114.5
446	H	83.9	Confident	85.5	Confident	87 Å²	87	92.2 Å²	92.2	40%	0.403	45%	0.452	S	S	.	.			trans	-88.2	124.3	-173.2	-173.6	-71.6	0	0	0	111.3	Y423 A448 F449	Y423-H446 HydrophobicContact CD1-CB 4.26Å; Y423-H446 HydrophobicContact CE1-CB 3.79Å; Y423-H446 AromaticContact CE1-CG 3.62Å; Y423-H446 AromaticContact CE1-ND1 3.58Å; H446-A448 PolarHBondContact ND1-N 3.13Å; H446-A448 PolarHBondContact O-N 3.19Å; H446-F449 WeakPolarHBondContact O-CB 3.33Å; H446-F449 PolarHBondContact O-N 2.97Å; H446-F449 VanDerWaalsContact O-N 3.08Å
447	P	86.2	Confident	86.3	Confident	124 Å²	124	91.8 Å²	91.8	81%	0.805	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-41.6	-168.2	22.2	-33.3	0	0	0	113.6	F449	P447-F449 PolarHBondContact O-N 2.8Å; P447-F449 VanDerWaalsContact O-N 3.12Å
448	A	90.3	Very high	87.4	Confident	18 Å²	18	90.4 Å²	90.4	15%	0.149	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9.8	179.9	0	0	0	0	0	114.9	H446 V450 R451 E452	H446-A448 PolarHBondContact ND1-N 3.13Å; H446-A448 PolarHBondContact O-N 3.19Å; A448-V450 VanDerWaalsContact C-N 3.32Å; A448-V450 PolarHBondContact O-N 3.06Å; A448-R451 WeakPolarHBondContact O-CB 3.37Å; A448-R451 PolarHBondContact O-N 3.28Å; A448-E452 HydrophobicContact CB-CG 4.42Å; A448-E452 WeakPolarHBondContact CB-OE1 3.37Å; A448-E452 PolarHBondContact O-N 3.42Å
449	F	91	Very high	88.6	Confident	4 Å²	4	86.2 Å²	86.2	2%	0.018	42%	0.419	C	S	.	.	H	α-helix	trans	-56.2	-41.3	-172	173.9	-116.3	0	0	0	113.4	F419 Y423 I425 Y440 L441 K444 H446 P447 R451 R453	F419-F449 HydrophobicContact CZ-CE2 4.33Å; Y423-F449 HydrophobicContact CD1-CB 4.16Å; Y423-F449 AromaticContact CD1-CD2 3.68Å; Y423-F449 HydrophobicContact CD1-CD2 3.68Å; Y423-F449 HydrophobicContact CD1-CG 4.28Å; Y423-F449 HydrophobicContact CD2-CD2 4.03Å; Y423-F449 HydrophobicContact CE1-CB 3.83Å; Y423-F449 HydrophobicContact CE1-CD2 4.05Å; Y423-F449 HydrophobicContact CE1-CG 4.4Å; Y423-F449 HydrophobicContact CE2-CD2 4.33Å; Y423-F449 AromaticContact CG-CD2 3.69Å; Y423-F449 HydrophobicContact CG-CD2 3.69Å; Y423-F449 HydrophobicContact CG-CE2 4.24Å; I425-F449 HydrophobicContact CD1-CE2 3.83Å; I425-F449 HydrophobicContact CD1-CZ 4.38Å; Y440-F449 HydrophobicContact CD2-CE1 4.31Å; Y440-F449 WeakPolarHBondContact O-CE1 3.4Å; L441-F449 HydrophobicContact CD2-CD1 4.44Å; L441-F449 HydrophobicContact CD2-CE1 4.32Å; K444-F449 HydrophobicContact CB-CD1 3.71Å; K444-F449 HydrophobicContact CB-CE1 3.83Å; K444-F449 HydrophobicContact CB-CG 4.35Å; K444-F449 HydrophobicContact CD-CE1 4.47Å; K444-F449 HydrophobicContact CD-CZ 4.4Å; K444-F449 HydrophobicContact CG-CD1 3.99Å; K444-F449 HydrophobicContact CG-CE1 3.6Å; K444-F449 HydrophobicContact CG-CZ 3.95Å; H446-F449 WeakPolarHBondContact O-CB 3.33Å; H446-F449 PolarHBondContact O-N 2.97Å; H446-F449 VanDerWaalsContact O-N 3.08Å; P447-F449 PolarHBondContact O-N 2.8Å; P447-F449 VanDerWaalsContact O-N 3.12Å; F449-R451 VanDerWaalsContact C-N 3.26Å; F449-R451 PolarHBondContact O-N 2.8Å; F449-R453 HydrophobicContact CD2-CB 4.45Å; F449-R453 HydrophobicContact CE2-CB 4.11Å; F449-R453 HydrophobicContact CZ-CB 4.38Å; F449-R453 HydrophobicContact CZ-CG 4.49Å; F449-R453 WeakPolarHBondContact O-CB 3.35Å; F449-R453 PolarHBondContact O-N 3.35Å
450	V	90	Very high	89.3	Confident	62 Å²	62	81.6 Å²	81.6	38%	0.376	39%	0.394	S	S	.	.	H	α-helix	trans	-71.1	-22.5	-178.8	-172.7	0	0	0	0	112.2	L441 A448 R454	L441-V450 HydrophobicContact CD2-CG2 3.78Å; A448-V450 VanDerWaalsContact C-N 3.32Å; A448-V450 PolarHBondContact O-N 3.06Å; V450-R454 WeakPolarHBondContact O-CG 3.41Å; V450-R454 PolarHBondContact O-NE 3.48Å
451	R	92.9	Very high	90	Very high	174 Å²	174	80.5 Å²	80.5	66%	0.657	39%	0.393	S	S	*	.	H	α-helix	trans	-81.8	-54.3	172.5	-175.9	176.9	66.2	-165.6	1.5	110.3	A448 F449 R453 R454 A455	A448-R451 WeakPolarHBondContact O-CB 3.37Å; A448-R451 PolarHBondContact O-N 3.28Å; F449-R451 VanDerWaalsContact C-N 3.26Å; F449-R451 PolarHBondContact O-N 2.8Å; R451-R453 PolarHBondContact O-N 2.88Å; R451-R454 PolarHBondContact O-N 3.17Å; R451-A455 PolarHBondContact O-N 2.85Å
452	E	93.5	Very high	90.6	Very high	47 Å²	47	81.7 Å²	81.7	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-64.9	-36.1	-176.4	-67.6	-177.4	-144.3	0	0	112.4	F419 K422 Y423 A448 R454 A455 M456	F419-E452 HydrophobicContact CD2-CB 4.31Å; F419-E452 HydrophobicContact CE2-CB 4.18Å; K422-E452 WeakPolarHBondContact CE-OE2 3.16Å; K422-E452 VanDerWaalsContact NZ-CD 3.28Å; K422-E452 IonicContact NZ-OE1 3.66Å; K422-E452 PolarHBondContact NZ-OE1 2.88Å; K422-E452 VanDerWaalsContact NZ-OE1 3.09Å; K422-E452 IonicContact NZ-OE2 2.8Å; K422-E452 PolarHBondContact NZ-OE2 2.95Å; Y423-E452 HydrophobicContact CE2-CB 3.95Å; Y423-E452 WeakPolarHBondContact CE2-OE2 3.49Å; Y423-E452 PolarHBondContact OH-OE1 2.89Å; Y423-E452 VanDerWaalsContact OH-OE1 3.1Å; Y423-E452 PolarHBondContact OH-OE2 2.83Å; A448-E452 HydrophobicContact CB-CG 4.42Å; A448-E452 WeakPolarHBondContact CB-OE1 3.37Å; A448-E452 PolarHBondContact O-N 3.42Å; E452-R454 VanDerWaalsContact C-N 3.32Å; E452-R454 PolarHBondContact O-N 2.92Å; E452-A455 PolarHBondContact O-N 3.21Å; E452-M456 VanDerWaalsContact O-CB 3.32Å; E452-M456 WeakPolarHBondContact O-CB 3.37Å; E452-M456 PolarHBondContact O-N 2.55Å
453	R	93.7	Very high	91.3	Very high	31 Å²	31	75.7 Å²	75.7	12%	0.117	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-34.4	172.3	-175.6	-177	-176.8	-94	-4	112.8	F419 Y433 F434 Y440 F449 R451 K457	F419-R453 HydrophobicContact CE2-CB 4.3Å; F419-R453 HydrophobicContact CZ-CB 4.04Å; F419-R453 HydrophobicContact CZ-CG 4.33Å; Y433-R453 WeakPolarHBondContact OH-CD 3.39Å; Y433-R453 PolarHBondContact OH-NE 3.02Å; F434-R453 HydrophobicContact CE1-CG 4.49Å; Y440-R453 VanDerWaalsContact CG-CZ 3.44Å; F449-R453 HydrophobicContact CD2-CB 4.45Å; F449-R453 HydrophobicContact CE2-CB 4.11Å; F449-R453 HydrophobicContact CZ-CB 4.38Å; F449-R453 HydrophobicContact CZ-CG 4.49Å; F449-R453 WeakPolarHBondContact O-CB 3.35Å; F449-R453 PolarHBondContact O-N 3.35Å; R451-R453 PolarHBondContact O-N 2.88Å; R453-K457 PolarHBondContact O-N 2.92Å
454	R	92.8	Very high	92.1	Very high	155 Å²	155	70.3 Å²	70.3	59%	0.585	34%	0.339	S	S	*	.	H	α-helix	trans	-75.4	-33	178.3	-81	-173.5	-69.2	167.1	-1.6	112.4	V450 R451 E452 R458	V450-R454 WeakPolarHBondContact O-CG 3.41Å; V450-R454 PolarHBondContact O-NE 3.48Å; R451-R454 PolarHBondContact O-N 3.17Å; E452-R454 VanDerWaalsContact C-N 3.32Å; E452-R454 PolarHBondContact O-N 2.92Å; R454-R458 PolarHBondContact O-NH1 2.64Å
455	A	95	Very high	92.7	Very high	43 Å²	43	72 Å²	72	36%	0.355	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-63.7	166.2	0	0	0	0	0	109.5	R451 E452 K457 R458 D459	R451-A455 PolarHBondContact O-N 2.85Å; E452-A455 PolarHBondContact O-N 3.21Å; A455-K457 CarbonylContact O-C 3.54Å; A455-K457 PolarHBondContact O-N 2.95Å; A455-R458 WeakPolarHBondContact O-CA 3.27Å; A455-R458 WeakPolarHBondContact O-CB 3.28Å; A455-R458 PolarHBondContact O-N 3.46Å; A455-D459 PolarHBondContact O-N 3.09Å
456	M	95.8	Very high	93.3	Very high	18 Å²	18	69.5 Å²	69.5	9%	0.089	33%	0.332	C	S	.	.	H	α-helix	trans	-54.2	-25.3	-176.1	-167.1	60	50	0	0	115.2	F412 K415 W416 F419 F434 E452 Y460	F412-M456 HydrophobicContact CE2-SD 4.27Å; F412-M456 HydrophobicContact CZ-SD 4.21Å; K415-M456 HydrophobicContact CB-CE 4.03Å; K415-M456 HydrophobicContact CB-SD 4.3Å; K415-M456 WeakPolarHBondContact O-CE 3.48Å; W416-M456 HydrophobicContact CE3-CG 3.68Å; W416-M456 HydrophobicContact CE3-SD 3.91Å; W416-M456 HydrophobicContact CZ3-CG 3.84Å; F419-M456 HydrophobicContact CB-CE 3.82Å; F419-M456 HydrophobicContact CD1-CB 4.4Å; F419-M456 HydrophobicContact CD1-CG 3.73Å; F419-M456 HydrophobicContact CD2-CB 4.24Å; F419-M456 HydrophobicContact CD2-CE 4.43Å; F419-M456 HydrophobicContact CD2-CG 4.34Å; F419-M456 HydrophobicContact CE1-CB 4.33Å; F419-M456 HydrophobicContact CE1-CG 3.94Å; F419-M456 HydrophobicContact CE2-CB 4.19Å; F419-M456 HydrophobicContact CG-CB 4.36Å; F419-M456 HydrophobicContact CG-CE 4.09Å; F419-M456 HydrophobicContact CG-CG 3.95Å; F419-M456 HydrophobicContact CZ-CB 4.24Å; F419-M456 HydrophobicContact CZ-CG 4.35Å; F434-M456 HydrophobicContact CZ-CG 4.44Å; E452-M456 VanDerWaalsContact O-CB 3.32Å; E452-M456 WeakPolarHBondContact O-CB 3.37Å; E452-M456 PolarHBondContact O-N 2.55Å; M456-Y460 WeakPolarHBondContact O-CB 3.3Å; M456-Y460 PolarHBondContact O-N 3.47Å
457	K	94.8	Very high	93.7	Very high	77 Å²	77	65.4 Å²	65.4	34%	0.335	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	-42.4	170.2	-170.6	170.8	-171.8	-78.3	0	112.3	F434 R453 A455 Y460 E461	F434-K457 HydrophobicContact CD1-CB 4.15Å; F434-K457 HydrophobicContact CD1-CD 3.98Å; F434-K457 HydrophobicContact CD1-CG 3.92Å; F434-K457 HydrophobicContact CE1-CB 3.68Å; F434-K457 HydrophobicContact CE1-CD 4.38Å; F434-K457 HydrophobicContact CE1-CG 3.99Å; F434-K457 HydrophobicContact CG-CG 4.36Å; F434-K457 HydrophobicContact CZ-CB 4.06Å; F434-K457 HydrophobicContact CZ-CG 4.46Å; R453-K457 PolarHBondContact O-N 2.92Å; A455-K457 CarbonylContact O-C 3.54Å; A455-K457 PolarHBondContact O-N 2.95Å; K457-Y460 PolarHBondContact O-N 3.46Å; K457-E461 WeakPolarHBondContact CE-OE1 3.3Å; K457-E461 HydrophobicContact CG-CG 4.33Å; K457-E461 IonicContact NZ-OE1 3.72Å; K457-E461 PolarHBondContact NZ-OE1 2.84Å; K457-E461 VanDerWaalsContact O-CG 3.31Å; K457-E461 WeakPolarHBondContact O-CG 3.23Å; K457-E461 PolarHBondContact O-N 3.46Å
458	R	95.9	Very high	94	Very high	160 Å²	160	63.4 Å²	63.4	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-62.8	-50.4	176.6	-62.9	-170.5	-171.1	99.9	-13.3	110.8	R454 A455 Y460 E461 E462	R454-R458 PolarHBondContact O-NH1 2.64Å; A455-R458 WeakPolarHBondContact O-CA 3.27Å; A455-R458 WeakPolarHBondContact O-CB 3.28Å; A455-R458 PolarHBondContact O-N 3.46Å; R458-Y460 PolarHBondContact O-N 3.13Å; R458-Y460 VanDerWaalsContact O-N 3.07Å; R458-E461 PolarHBondContact O-N 3.31Å; R458-E462 WeakPolarHBondContact O-CB 3.38Å; R458-E462 WeakPolarHBondContact O-CG 3.15Å; R458-E462 PolarHBondContact O-N 3.31Å
459	D	96	Very high	94.1	Very high	35 Å²	35	65.1 Å²	65.1	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-52.1	-34.1	174.1	-62.2	74.7	0	0	0	112.6	F412 K415 A455 F463	F412-D459 HydrophobicContact CE2-CB 4.08Å; K415-D459 HydrophobicContact CD-CB 4.36Å; K415-D459 VanDerWaalsContact CD-OD2 3.23Å; K415-D459 WeakPolarHBondContact CD-OD2 3.35Å; K415-D459 WeakPolarHBondContact CE-OD2 3.49Å; K415-D459 IonicContact NZ-OD2 3.16Å; K415-D459 PolarHBondContact NZ-OD2 3.07Å; A455-D459 PolarHBondContact O-N 3.09Å; D459-F463 VanDerWaalsContact O-CB 3.32Å; D459-F463 WeakPolarHBondContact O-CB 3.42Å; D459-F463 PolarHBondContact O-N 3.4Å; D459-F463 VanDerWaalsContact O-N 3.1Å
460	Y	96.2	Very high	94.1	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-77.6	-40.3	176.6	-177.2	-108.2	0	0	0	113.9	N374 F412 P430 E431 F434 M456 K457 R458 E462 F463 K464	N374-Y460 PolarHBondContact ND2-OH 3.01Å; N374-Y460 VanDerWaalsContact ND2-OH 3.11Å; F412-Y460 AromaticContact CE1-CD2 3.76Å; F412-Y460 HydrophobicContact CE1-CD2 3.76Å; F412-Y460 HydrophobicContact CE1-CE2 4.49Å; F412-Y460 HydrophobicContact CE2-CD2 4.32Å; F412-Y460 AromaticContact CZ-CD2 3.62Å; F412-Y460 HydrophobicContact CZ-CD2 3.62Å; F412-Y460 HydrophobicContact CZ-CG 4.19Å; P430-Y460 HydrophobicContact CB-CD1 4.37Å; P430-Y460 HydrophobicContact CB-CD2 3.59Å; P430-Y460 HydrophobicContact CB-CE1 4.34Å; P430-Y460 HydrophobicContact CB-CE2 3.56Å; P430-Y460 HydrophobicContact CB-CG 4.02Å; P430-Y460 HydrophobicContact CG-CD2 3.72Å; P430-Y460 HydrophobicContact CG-CE2 3.32Å; E431-Y460 WeakPolarHBondContact CB-OH 3.49Å; E431-Y460 VanDerWaalsContact OE2-CE1 3.26Å; E431-Y460 WeakPolarHBondContact OE2-CE1 3.37Å; E431-Y460 VanDerWaalsContact OE2-CZ 3.31Å; E431-Y460 PolarHBondContact OE2-OH 3.17Å; F434-Y460 AromaticContact CD2-CD1 3.56Å; F434-Y460 HydrophobicContact CD2-CD1 3.56Å; F434-Y460 HydrophobicContact CD2-CE1 4.24Å; F434-Y460 AromaticContact CD2-CG 3.95Å; F434-Y460 HydrophobicContact CD2-CG 3.95Å; F434-Y460 AromaticContact CE2-CD1 3.99Å; F434-Y460 HydrophobicContact CE2-CD1 3.99Å; F434-Y460 AromaticContact CE2-CG 3.9Å; F434-Y460 HydrophobicContact CE2-CG 3.9Å; M456-Y460 WeakPolarHBondContact O-CB 3.3Å; M456-Y460 PolarHBondContact O-N 3.47Å; K457-Y460 PolarHBondContact O-N 3.46Å; R458-Y460 PolarHBondContact O-N 3.13Å; R458-Y460 VanDerWaalsContact O-N 3.07Å; Y460-E462 VanDerWaalsContact C-N 3.34Å; Y460-F463 AromaticContact CD2-CD1 3.88Å; Y460-F463 HydrophobicContact CD2-CD1 3.88Å; Y460-F463 AromaticContact CE2-CD1 3.7Å; Y460-F463 HydrophobicContact CE2-CD1 3.7Å; Y460-F463 HydrophobicContact CE2-CE1 4.07Å; Y460-F463 PolarHBondContact O-N 2.88Å; Y460-K464 WeakPolarHBondContact O-CB 3.44Å; Y460-K464 PolarHBondContact O-N 3.44Å
461	E	95.8	Very high	94.1	Very high	79 Å²	79	65.5 Å²	65.5	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-66.9	-38.7	175.5	-59.7	-75.6	-165.7	0	0	110.5	K457 R458 K464 V465	K457-E461 WeakPolarHBondContact CE-OE1 3.3Å; K457-E461 HydrophobicContact CG-CG 4.33Å; K457-E461 IonicContact NZ-OE1 3.72Å; K457-E461 PolarHBondContact NZ-OE1 2.84Å; K457-E461 VanDerWaalsContact O-CG 3.31Å; K457-E461 WeakPolarHBondContact O-CG 3.23Å; K457-E461 PolarHBondContact O-N 3.46Å; R458-E461 PolarHBondContact O-N 3.31Å; E461-K464 PolarHBondContact O-N 3Å; E461-V465 WeakPolarHBondContact O-CG2 2.99Å; E461-V465 PolarHBondContact O-N 3.37Å
462	E	95.7	Very high	94	Very high	108 Å²	108	59.9 Å²	59.9	51%	0.505	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-47.8	171	-72.2	161.5	-149.4	0	0	111.4	R458 Y460 K464 V465 K466	R458-E462 WeakPolarHBondContact O-CB 3.38Å; R458-E462 WeakPolarHBondContact O-CG 3.15Å; R458-E462 PolarHBondContact O-N 3.31Å; Y460-E462 VanDerWaalsContact C-N 3.34Å; E462-K464 VanDerWaalsContact C-N 3.35Å; E462-K464 PolarHBondContact O-N 3.11Å; E462-V465 PolarHBondContact O-N 2.92Å; E462-K466 PolarHBondContact O-N 3.39Å
463	F	95.5	Very high	93.7	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-42.7	173	167.9	-100.5	0	0	0	112.2	L370 A373 L377 E408 F412 D459 Y460 V465 K466 I467	L370-F463 HydrophobicContact CD1-CE1 4.15Å; A373-F463 HydrophobicContact CB-CE1 4.48Å; A373-F463 HydrophobicContact CB-CZ 4Å; L377-F463 HydrophobicContact CD1-CE1 4.33Å; L377-F463 HydrophobicContact CD1-CZ 4.49Å; E408-F463 HydrophobicContact CB-CE2 4.11Å; F412-F463 HydrophobicContact CB-CD2 3.67Å; F412-F463 HydrophobicContact CB-CE2 4.04Å; F412-F463 HydrophobicContact CB-CG 4.06Å; F412-F463 HydrophobicContact CD1-CD1 4.31Å; F412-F463 HydrophobicContact CD1-CG 4.36Å; F412-F463 HydrophobicContact CD2-CB 3.91Å; F412-F463 HydrophobicContact CD2-CG 4.17Å; F412-F463 HydrophobicContact CE2-CB 4.43Å; F412-F463 HydrophobicContact CG-CB 4.18Å; F412-F463 HydrophobicContact CG-CD1 4.32Å; F412-F463 HydrophobicContact CG-CD2 4.07Å; F412-F463 AromaticContact CG-CG 3.92Å; F412-F463 HydrophobicContact CG-CG 3.92Å; D459-F463 VanDerWaalsContact O-CB 3.32Å; D459-F463 WeakPolarHBondContact O-CB 3.42Å; D459-F463 PolarHBondContact O-N 3.4Å; D459-F463 VanDerWaalsContact O-N 3.1Å; Y460-F463 AromaticContact CD2-CD1 3.88Å; Y460-F463 HydrophobicContact CD2-CD1 3.88Å; Y460-F463 AromaticContact CE2-CD1 3.7Å; Y460-F463 HydrophobicContact CE2-CD1 3.7Å; Y460-F463 HydrophobicContact CE2-CE1 4.07Å; Y460-F463 PolarHBondContact O-N 2.88Å; F463-V465 VanDerWaalsContact C-N 3.34Å; F463-V465 PolarHBondContact O-N 3.08Å; F463-K466 PolarHBondContact O-N 2.87Å; F463-I467 HydrophobicContact CD1-CG1 4.49Å; F463-I467 HydrophobicContact CD2-CG1 4.15Å; F463-I467 HydrophobicContact CE1-CG1 4.04Å; F463-I467 HydrophobicContact CE2-CD1 3.8Å; F463-I467 HydrophobicContact CE2-CG1 3.65Å; F463-I467 HydrophobicContact CZ-CD1 3.93Å; F463-I467 HydrophobicContact CZ-CG1 3.59Å; F463-I467 WeakPolarHBondContact O-CG1 3.41Å; F463-I467 PolarHBondContact O-N 3.25Å
464	K	94.8	Very high	93.4	Very high	37 Å²	37	61.1 Å²	61.1	16%	0.161	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-39.8	176.3	-173.9	170.9	177.7	176.4	0	111.6	L370 E431 Y460 E461 E462 N468	L370-K464 HydrophobicContact CD1-CG 4.38Å; L370-K464 HydrophobicContact CD2-CD 4.1Å; L370-K464 HydrophobicContact CD2-CG 3.93Å; E431-K464 IonicContact OE1-NZ 2.9Å; E431-K464 PolarHBondContact OE1-NZ 2.87Å; E431-K464 IonicContact OE2-NZ 3.71Å; Y460-K464 WeakPolarHBondContact O-CB 3.44Å; Y460-K464 PolarHBondContact O-N 3.44Å; E461-K464 PolarHBondContact O-N 3Å; E462-K464 VanDerWaalsContact C-N 3.35Å; E462-K464 PolarHBondContact O-N 3.11Å; K464-N468 WeakPolarHBondContact O-CB 3.28Å; K464-N468 PolarHBondContact O-N 3.5Å
465	V	95.2	Very high	93	Very high	101 Å²	101	60.4 Å²	60.4	61%	0.612	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-46.3	173.1	169.5	0	0	0	0	111.4	E461 E462 F463 I467 N468 A469	E461-V465 WeakPolarHBondContact O-CG2 2.99Å; E461-V465 PolarHBondContact O-N 3.37Å; E462-V465 PolarHBondContact O-N 2.92Å; F463-V465 VanDerWaalsContact C-N 3.34Å; F463-V465 PolarHBondContact O-N 3.08Å; V465-I467 PolarHBondContact O-N 2.92Å; V465-N468 PolarHBondContact O-N 2.93Å; V465-A469 PolarHBondContact O-N 2.81Å
466	K	93.9	Very high	92.6	Very high	91 Å²	91	66.4 Å²	66.4	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-56.3	-51.2	174.7	-75.4	-165.2	177.3	-168.5	0	112.3	E408 E462 F463 N468 A469 L470	E408-K466 HydrophobicContact CG-CD 4.42Å; E408-K466 VanDerWaalsContact OE1-CD 3.3Å; E408-K466 WeakPolarHBondContact OE1-CD 3.45Å; E408-K466 IonicContact OE1-NZ 2.86Å; E408-K466 PolarHBondContact OE1-NZ 2.79Å; E408-K466 WeakPolarHBondContact OE2-CD 3.43Å; E408-K466 WeakPolarHBondContact OE2-CE 3.14Å; E408-K466 IonicContact OE2-NZ 3.09Å; E408-K466 PolarHBondContact OE2-NZ 3.05Å; E462-K466 PolarHBondContact O-N 3.39Å; F463-K466 PolarHBondContact O-N 2.87Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 2.87Å; K466-A469 WeakPolarHBondContact O-CB 3.4Å; K466-A469 PolarHBondContact O-N 3.28Å; K466-A469 VanDerWaalsContact O-N 3.1Å; K466-L470 PolarHBondContact O-N 3.21Å
467	I	92.7	Very high	91.9	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-40.3	179.6	-65.8	-64.8	0	0	0	111.1	P369 L370 A405 E408 F463 V465 A469 L470 V471	P369-I467 HydrophobicContact CG-CG2 4.35Å; L370-I467 HydrophobicContact CB-CG2 4Å; L370-I467 HydrophobicContact CD1-CG2 4.35Å; A405-I467 HydrophobicContact CB-CD1 3.84Å; E408-I467 HydrophobicContact CB-CD1 4.03Å; F463-I467 HydrophobicContact CD1-CG1 4.49Å; F463-I467 HydrophobicContact CD2-CG1 4.15Å; F463-I467 HydrophobicContact CE1-CG1 4.04Å; F463-I467 HydrophobicContact CE2-CD1 3.8Å; F463-I467 HydrophobicContact CE2-CG1 3.65Å; F463-I467 HydrophobicContact CZ-CD1 3.93Å; F463-I467 HydrophobicContact CZ-CG1 3.59Å; F463-I467 WeakPolarHBondContact O-CG1 3.41Å; F463-I467 PolarHBondContact O-N 3.25Å; V465-I467 PolarHBondContact O-N 2.92Å; I467-A469 VanDerWaalsContact C-N 3.34Å; I467-A469 PolarHBondContact O-N 3.14Å; I467-L470 HydrophobicContact CD1-CD1 4.46Å; I467-L470 PolarHBondContact O-N 2.96Å; I467-V471 WeakPolarHBondContact O-CG2 3.45Å; I467-V471 PolarHBondContact O-N 2.8Å
468	N	92.8	Very high	91.5	Very high	82 Å²	82	69.3 Å²	69.3	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-34.9	175.8	-73.1	-7.6	0	0	0	112.5	K464 V465 K466 V471 A472	K464-N468 WeakPolarHBondContact O-CB 3.28Å; K464-N468 PolarHBondContact O-N 3.5Å; V465-N468 PolarHBondContact O-N 2.93Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 2.87Å; N468-V471 PolarHBondContact O-N 3.11Å; N468-A472 PolarHBondContact O-N 2.93Å
469	A	92.3	Very high	91	Very high	54 Å²	54	71.5 Å²	71.5	45%	0.446	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-43.5	173.6	0	0	0	0	0	111.8	V465 K466 I467 V471 A472 T473	V465-A469 PolarHBondContact O-N 2.81Å; K466-A469 WeakPolarHBondContact O-CB 3.4Å; K466-A469 PolarHBondContact O-N 3.28Å; K466-A469 VanDerWaalsContact O-N 3.1Å; I467-A469 VanDerWaalsContact C-N 3.34Å; I467-A469 PolarHBondContact O-N 3.14Å; A469-V471 VanDerWaalsContact C-N 3.34Å; A469-V471 PolarHBondContact O-N 2.58Å; A469-A472 PolarHBondContact O-N 3.37Å; A469-T473 PolarHBondContact O-N 2.83Å; A469-T473 PolarHBondContact O-OG1 3.34Å
470	L	90.9	Very high	90.3	Very high	36 Å²	36	77.7 Å²	77.7	19%	0.188	42%	0.416	C	S	.	.	H	α-helix	trans	-59	-43.9	172.9	-65.2	178.5	0	0	0	111.6	L401 E404 E408 K466 I467 A472 T473 A474	L401-L470 HydrophobicContact CD1-CB 3.89Å; E404-L470 HydrophobicContact CB-CD1 3.96Å; E404-L470 HydrophobicContact CB-CD2 4.46Å; E408-L470 HydrophobicContact CG-CD1 4.24Å; K466-L470 PolarHBondContact O-N 3.21Å; I467-L470 HydrophobicContact CD1-CD1 4.46Å; I467-L470 PolarHBondContact O-N 2.96Å; L470-A472 VanDerWaalsContact C-N 3.34Å; L470-A472 PolarHBondContact O-N 3.34Å; L470-T473 PolarHBondContact O-N 3.18Å; L470-A474 VanDerWaalsContact O-CB 3.28Å; L470-A474 WeakPolarHBondContact O-CB 3.35Å; L470-A474 PolarHBondContact O-N 2.99Å
471	V	90.8	Very high	89.8	Confident	38 Å²	38	78.3 Å²	78.3	23%	0.23	42%	0.423	C	S	.	.	H	α-helix	trans	-60.9	-40.9	175.8	170.8	0	0	0	0	111.8	P369 L401 I467 N468 A469 Q475	P369-V471 HydrophobicContact CG-CG2 3.4Å; P369-V471 VanDerWaalsContact CG-CG2 3.4Å; L401-V471 HydrophobicContact CD1-CG2 4.02Å; L401-V471 HydrophobicContact CD2-CG2 4.28Å; I467-V471 WeakPolarHBondContact O-CG2 3.45Å; I467-V471 PolarHBondContact O-N 2.8Å; N468-V471 PolarHBondContact O-N 3.11Å; A469-V471 VanDerWaalsContact C-N 3.34Å; A469-V471 PolarHBondContact O-N 2.58Å; V471-Q475 PolarHBondContact O-N 2.74Å
472	A	90.1	Very high	89.5	Confident	55 Å²	55	77.2 Å²	77.2	46%	0.455	42%	0.415	S	S	.	.	H	α-helix	trans	-68.9	-38.3	178.1	0	0	0	0	0	112.6	N468 A469 L470	N468-A472 PolarHBondContact O-N 2.93Å; A469-A472 PolarHBondContact O-N 3.37Å; L470-A472 VanDerWaalsContact C-N 3.34Å; L470-A472 PolarHBondContact O-N 3.34Å
473	T	88.2	Confident	88.9	Confident	84 Å²	84	76.1 Å²	76.1	52%	0.515	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-44.9	173.5	-62.9	0	0	0	0	111.2	A469 L470 Q475 K476	A469-T473 PolarHBondContact O-N 2.83Å; A469-T473 PolarHBondContact O-OG1 3.34Å; L470-T473 PolarHBondContact O-N 3.18Å; T473-Q475 PolarHBondContact O-N 2.86Å; T473-Q475 VanDerWaalsContact O-N 3.09Å; T473-K476 PolarHBondContact O-N 2.97Å
474	A	86.1	Confident	88.3	Confident	20 Å²	20	76.5 Å²	76.5	17%	0.165	42%	0.418	C	S	.	.	H	α-helix	trans	-62.6	-17.2	-178.1	0	0	0	0	0	115.1	L401 L470 K476	L401-A474 HydrophobicContact CB-CB 3.84Å; L401-A474 HydrophobicContact CD1-CB 3.99Å; L401-A474 HydrophobicContact CD2-CB 3.69Å; L401-A474 HydrophobicContact CG-CB 4.04Å; L470-A474 VanDerWaalsContact O-CB 3.28Å; L470-A474 WeakPolarHBondContact O-CB 3.35Å; L470-A474 PolarHBondContact O-N 2.99Å; A474-K476 VanDerWaalsContact C-N 3.26Å
475	Q	84.7	Confident	87.3	Confident	140 Å²	140	80.8 Å²	80.8	65%	0.654	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.1	171.6	-68.3	175.5	18.9	0	0	113	V471 T473	V471-Q475 PolarHBondContact O-N 2.74Å; T473-Q475 PolarHBondContact O-N 2.86Å; T473-Q475 VanDerWaalsContact O-N 3.09Å
476	K	85.8	Confident	86.2	Confident	169 Å²	169	78.3 Å²	78.3	74%	0.735	42%	0.422	S	S	*	.	S	Bend	trans	-104.4	78.4	179.8	-59.8	177.6	-175.5	175.1	0	110	T473 A474 P478 W482	T473-K476 PolarHBondContact O-N 2.97Å; A474-K476 VanDerWaalsContact C-N 3.26Å; K476-P478 WeakPolarHBondContact O-CD 3.15Å; K476-W482 WeakPolarHBondContact O-CH2 3.46Å
477	V	83	Confident	85.3	Confident	101 Å²	101	76.8 Å²	76.8	61%	0.612	43%	0.433	S	S	*	.			trans	-65.2	125.1	178.4	-172.4	0	0	0	0	110	W482	V477-W482 HydrophobicContact CB-CZ2 4.28Å; V477-W482 HydrophobicContact CG1-CZ2 4.43Å; V477-W482 HydrophobicContact CG2-CZ2 4.07Å
478	P	86.4	Confident	84.8	Confident	56 Å²	56	78.8 Å²	78.8	36%	0.364	45%	0.445	S	S	.	.			trans	-69.1	152	174.6	-15.8	29.7	0	0	0	112	K476 D480 G481 W482	K476-P478 WeakPolarHBondContact O-CD 3.15Å; P478-D480 PolarHBondContact O-N 3.47Å; P478-G481 WeakPolarHBondContact CB-O 3.41Å; P478-G481 PolarHBondContact O-N 3.27Å; P478-W482 HydrophobicContact CG-CE3 4.09Å; P478-W482 HydrophobicContact CG-CZ3 4.13Å
479	E	83.7	Confident	84.6	Confident	205 Å²	205	79.2 Å²	79.2	96%	0.958	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-37.9	-178.9	-61.3	-167.6	164	0	0	112.7	G481	E479-G481 PolarHBondContact O-N 2.83Å
480	D	82.2	Confident	84.5	Confident	165 Å²	165	77 Å²	77	88%	0.882	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-1.2	173.4	-61.9	-59.3	0	0	0	113.7	P478	P478-D480 PolarHBondContact O-N 3.47Å
481	G	85.7	Confident	84.4	Confident	15 Å²	15	76.5 Å²	76.5	16%	0.155	43%	0.431	C	S	.	.			trans	81.6	-174.5	-171	0	0	0	0	0	113.5	P478 E479	P478-G481 WeakPolarHBondContact CB-O 3.41Å; P478-G481 PolarHBondContact O-N 3.27Å; E479-G481 PolarHBondContact O-N 2.83Å
482	W	88.3	Confident	84.3	Confident	56 Å²	56	74.8 Å²	74.8	21%	0.212	42%	0.422	C	S	.	.			trans	-79.2	144.6	-178.6	-58.9	101.4	0	0	0	112.2	M400 K476 V477 P478 W490 N493	M400-W482 HydrophobicContact CB-CB 4.45Å; M400-W482 HydrophobicContact CB-CG 4.4Å; M400-W482 HydrophobicContact SD-CB 3.8Å; M400-W482 HydrophobicContact SD-CG 4.45Å; K476-W482 WeakPolarHBondContact O-CH2 3.46Å; V477-W482 HydrophobicContact CB-CZ2 4.28Å; V477-W482 HydrophobicContact CG1-CZ2 4.43Å; V477-W482 HydrophobicContact CG2-CZ2 4.07Å; P478-W482 HydrophobicContact CG-CE3 4.09Å; P478-W482 HydrophobicContact CG-CZ3 4.13Å; W482-W490 HydrophobicContact CB-CB 3.79Å; W482-W490 HydrophobicContact CB-CG 4.32Å; W482-W490 WeakPolarHBondContact O-CB 3.45Å; W482-W490 PolarHBondContact O-N 3.38Å; W482-N493 WeakPolarHBondContact CB-OD1 3.45Å; W482-N493 PolarHBondContact N-ND2 3.01Å; W482-N493 PolarHBondContact N-OD1 2.75Å; W482-N493 PolarHBondContact O-ND2 3.44Å
483	T	85	Confident	84.2	Confident	86 Å²	86	75.3 Å²	75.3	53%	0.528	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-122.9	144	173.1	47.2	0	0	0	0	110	M400 T488	M400-T483 WeakPolarHBondContact CE-O 3.23Å; T483-T488 CarbonylContact C-O 3.44Å; T483-T488 WeakPolarHBondContact CA-O 3.34Å
484	M	81.7	Confident	84.1	Confident	14 Å²	14	74 Å²	74	7%	0.069	41%	0.411	C	S	.	.			trans	-84.4	166.6	179	-69.4	-177.8	57.8	0	0	111.8	L7 I20 A22 F403 D486 G487 T488 W490	L7-M484 HydrophobicContact CB-CE 4.33Å; L7-M484 HydrophobicContact CD2-CE 3.7Å; L7-M484 HydrophobicContact CD2-SD 3.66Å; I20-M484 HydrophobicContact CG2-CE 3.63Å; I20-M484 HydrophobicContact CG2-SD 3.65Å; A22-M484 HydrophobicContact CB-CE 3.7Å; F403-M484 HydrophobicContact CE1-CE 4.34Å; M484-D486 WeakPolarHBondContact CB-OD1 3.06Å; M484-D486 PolarHBondContact O-N 2.82Å; M484-D486 VanDerWaalsContact O-N 3.09Å; M484-G487 WeakPolarHBondContact O-CA 3.36Å; M484-G487 PolarHBondContact O-N 3.06Å; M484-T488 PolarHBondContact N-O 3.3Å; M484-W490 HydrophobicContact CG-CE3 3.89Å; M484-W490 HydrophobicContact SD-CE3 3.66Å; M484-W490 HydrophobicContact SD-CZ3 4.02Å
485	Q	74.4	Confident	84.2	Confident	128 Å²	128	77.2 Å²	77.2	60%	0.598	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.2	-177.4	-58.6	-178.9	11	0	0	114.5	N25	N25-Q485 PolarHBondContact ND2-O 3.29Å
486	D	71.2	Confident	84.3	Confident	48 Å²	48	80.4 Å²	80.4	26%	0.257	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.7	170.2	70.8	-11.6	0	0	0	113.2	I20 N21 M484 T488	I20-D486 VanDerWaalsContact CG2-OD2 3.28Å; I20-D486 WeakPolarHBondContact CG2-OD2 3.34Å; N21-D486 WeakPolarHBondContact CA-OD2 3.48Å; N21-D486 HydrophobicContact CB-CB 4.17Å; N21-D486 PolarHBondContact N-OD2 3.23Å; M484-D486 WeakPolarHBondContact CB-OD1 3.06Å; M484-D486 PolarHBondContact O-N 2.82Å; M484-D486 VanDerWaalsContact O-N 3.09Å; D486-T488 VanDerWaalsContact C-N 3.33Å; D486-T488 WeakPolarHBondContact OD1-CB 3.46Å; D486-T488 WeakPolarHBondContact OD1-CG2 3.03Å; D486-T488 PolarHBondContact OD1-N 3.47Å; D486-T488 PolarHBondContact OD1-OG1 3.41Å
487	G	76.4	Confident	84.5	Confident	60 Å²	60	75.2 Å²	75.2	62%	0.619	42%	0.415	S	S	*	.	S	Bend	trans	82.8	-0.4	-178.2	0	0	0	0	0	114.9	M484	M484-G487 WeakPolarHBondContact O-CA 3.36Å; M484-G487 PolarHBondContact O-N 3.06Å
488	T	81.2	Confident	84.9	Confident	43 Å²	43	70.4 Å²	70.4	26%	0.264	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-77.7	149.2	178.2	63.4	0	0	0	0	112.2	I20 T483 M484 D486	I20-T488 HydrophobicContact CG2-CG2 4.26Å; I20-T488 WeakPolarHBondContact CG2-OG1 3.36Å; T483-T488 CarbonylContact C-O 3.44Å; T483-T488 WeakPolarHBondContact CA-O 3.34Å; M484-T488 PolarHBondContact N-O 3.3Å; D486-T488 VanDerWaalsContact C-N 3.33Å; D486-T488 WeakPolarHBondContact OD1-CB 3.46Å; D486-T488 WeakPolarHBondContact OD1-CG2 3.03Å; D486-T488 PolarHBondContact OD1-N 3.47Å; D486-T488 PolarHBondContact OD1-OG1 3.41Å
489	P	87.8	Confident	85.2	Confident	91 Å²	91	68.8 Å²	68.8	59%	0.591	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-70.7	135.1	174.2	28.8	-34.2	0	0	0	111.1	P491	P489-P491 WeakPolarHBondContact O-CD 3.14Å
490	W	90.9	Very high	85.6	Confident	6 Å²	6	59.1 Å²	59.1	2%	0.023	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-61.3	120.3	-179.9	174.9	-114.8	0	0	0	111.2	L7 A398 M400 F403 W482 M484 G492 N493 M501	L7-W490 HydrophobicContact CD2-CE3 4.4Å; L7-W490 HydrophobicContact CD2-CH2 4.43Å; L7-W490 HydrophobicContact CD2-CZ3 3.71Å; A398-W490 PolarHBondContact O-NE1 2.81Å; M400-W490 HydrophobicContact CB-CD2 4Å; M400-W490 HydrophobicContact CB-CE3 4.47Å; M400-W490 HydrophobicContact CB-CG 4.18Å; M400-W490 HydrophobicContact CB-CZ2 4.5Å; M400-W490 HydrophobicContact CG-CD2 4.46Å; M400-W490 HydrophobicContact CG-CE3 4.5Å; M400-W490 HydrophobicContact SD-CB 4.46Å; F403-W490 HydrophobicContact CB-CH2 3.64Å; F403-W490 HydrophobicContact CB-CZ2 4.33Å; F403-W490 HydrophobicContact CB-CZ3 4.19Å; F403-W490 HydrophobicContact CD1-CH2 4.3Å; F403-W490 HydrophobicContact CD1-CZ3 4.03Å; F403-W490 AromaticContact CD2-CH2 3.98Å; F403-W490 HydrophobicContact CD2-CH2 3.98Å; F403-W490 HydrophobicContact CD2-CZ3 4.28Å; F403-W490 AromaticContact CG-CH2 3.71Å; F403-W490 HydrophobicContact CG-CH2 3.71Å; F403-W490 AromaticContact CG-CZ3 3.9Å; F403-W490 HydrophobicContact CG-CZ3 3.9Å; W482-W490 HydrophobicContact CB-CB 3.79Å; W482-W490 HydrophobicContact CB-CG 4.32Å; W482-W490 WeakPolarHBondContact O-CB 3.45Å; W482-W490 PolarHBondContact O-N 3.38Å; M484-W490 HydrophobicContact CG-CE3 3.89Å; M484-W490 HydrophobicContact SD-CE3 3.66Å; M484-W490 HydrophobicContact SD-CZ3 4.02Å; W490-G492 VanDerWaalsContact NE1-CA 3.33Å; W490-G492 PolarHBondContact O-N 3.09Å; W490-G492 VanDerWaalsContact O-N 3.1Å; W490-N493 WeakPolarHBondContact O-CB 3.48Å; W490-N493 VanDerWaalsContact O-CG 3.26Å; W490-N493 PolarHBondContact O-N 3.14Å; W490-N493 VanDerWaalsContact O-N 3.14Å; W490-N493 PolarHBondContact O-ND2 3.19Å; W490-M501 HydrophobicContact CH2-CE 4.05Å; W490-M501 HydrophobicContact CH2-SD 4.02Å; W490-M501 HydrophobicContact CZ2-CE 3.64Å; W490-M501 HydrophobicContact CZ2-SD 4.09Å; W490-M501 HydrophobicContact CZ3-SD 4.44Å
491	P	88.9	Confident	86.1	Confident	26 Å²	26	51.2 Å²	51.2	17%	0.169	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.5	-174.4	-20.4	31.1	0	0	0	114.1	A9 I20 P489 N493 H498 P499 M501	A9-P491 HydrophobicContact CB-CB 4.07Å; A9-P491 HydrophobicContact CB-CG 3.81Å; I20-P491 HydrophobicContact CD1-CG 3.5Å; I20-P491 VanDerWaalsContact CD1-CG 3.5Å; P489-P491 WeakPolarHBondContact O-CD 3.14Å; P491-N493 VanDerWaalsContact C-N 3.35Å; P491-H498 VanDerWaalsContact O-CB 3.29Å; P491-H498 WeakPolarHBondContact O-CB 3.39Å; P491-P499 HydrophobicContact CB-CG 3.77Å; P491-M501 HydrophobicContact CB-CG 4.39Å; P491-M501 HydrophobicContact CB-SD 3.78Å; P491-M501 HydrophobicContact CG-SD 4.03Å
492	G	88.3	Confident	86.3	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	6	177.5	0	0	0	0	0	115.5	W490 S494	W490-G492 VanDerWaalsContact NE1-CA 3.33Å; W490-G492 PolarHBondContact O-N 3.09Å; W490-G492 VanDerWaalsContact O-N 3.1Å; G492-S494 CarbonylContact O-C 3.54Å; G492-S494 PolarHBondContact O-N 3.12Å
493	N	87.9	Confident	86.3	Confident	66 Å²	66	47.9 Å²	47.9	35%	0.353	27%	0.271	S	S	.	.	S	Bend	trans	-54.4	-22.4	-175.5	-85.8	-20.7	0	0	0	114.9	W482 W490 P491	W482-N493 WeakPolarHBondContact CB-OD1 3.45Å; W482-N493 PolarHBondContact N-ND2 3.01Å; W482-N493 PolarHBondContact N-OD1 2.75Å; W482-N493 PolarHBondContact O-ND2 3.44Å; W490-N493 WeakPolarHBondContact O-CB 3.48Å; W490-N493 VanDerWaalsContact O-CG 3.26Å; W490-N493 PolarHBondContact O-N 3.14Å; W490-N493 VanDerWaalsContact O-N 3.14Å; W490-N493 PolarHBondContact O-ND2 3.19Å; P491-N493 VanDerWaalsContact C-N 3.35Å
494	S	87.6	Confident	86.5	Confident	55 Å²	55	44.3 Å²	44.3	39%	0.385	25%	0.249	S	C	.	.	S	Bend	trans	-112	107.5	166.9	176.2	0	0	0	0	111.2	G492 R496 D497 H498	G492-S494 CarbonylContact O-C 3.54Å; G492-S494 PolarHBondContact O-N 3.12Å; S494-R496 PolarHBondContact O-N 3.1Å; S494-D497 WeakPolarHBondContact CB-O 3.41Å; S494-D497 CarbonylContact O-C 3.53Å; S494-D497 PolarHBondContact O-N 2.94Å; S494-D497 PolarHBondContact OG-N 2.99Å; S494-H498 PolarHBondContact O-ND1 3.08Å
495	V	86.3	Confident	86.6	Confident	88 Å²	88	44.1 Å²	44.1	53%	0.533	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.8	178.4	-173.7	0	0	0	0	113.2	H498	V495-H498 PolarHBondContact O-CE1 3.22Å; V495-H498 VanDerWaalsContact O-CE1 3.24Å
496	R	87.2	Confident	87.1	Confident	208 Å²	208	38.2 Å²	38.2	79%	0.785	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-15.9	178.3	-64.2	-172.8	-179.6	-163.8	1.3	114.8	S494 K529 R530 P531	S494-R496 PolarHBondContact O-N 3.1Å; R496-K529 CarbonylContact O-C 3.56Å; R496-R530 CarbonylContact O-C 3.55Å; R496-R530 WeakPolarHBondContact O-CA 3.39Å; R496-P531 WeakPolarHBondContact O-CD 3.38Å
497	D	90.9	Very high	87.2	Confident	60 Å²	60	36.1 Å²	36.1	32%	0.321	21%	0.21	S	C	.	.	S	Bend	trans	-144.9	83.4	-176.5	-165	5.4	0	0	0	110.7	S494 K529 R530 P531	S494-D497 WeakPolarHBondContact CB-O 3.41Å; S494-D497 CarbonylContact O-C 3.53Å; S494-D497 PolarHBondContact O-N 2.94Å; S494-D497 PolarHBondContact OG-N 2.99Å; D497-K529 CarbonylContact C-O 3.46Å; D497-K529 VanDerWaalsContact CA-O 3.28Å; D497-K529 WeakPolarHBondContact CA-O 3.4Å; D497-R530 WeakPolarHBondContact OD1-CD 3.41Å; D497-R530 IonicContact OD1-CZ 2.83Å; D497-R530 IonicContact OD1-NE 3.48Å; D497-R530 IonicContact OD1-NH1 2.89Å; D497-R530 PolarHBondContact OD1-NH1 3.36Å; D497-P531 HydrophobicContact CB-CG 4.18Å
498	H	91.3	Very high	86.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-138.5	146.7	179.1	50.9	-106	0	0	0	112.2	A398 P491 S494 V495 R527 E528 K529	A398-H498 VanDerWaalsContact CB-CE1 3.47Å; A398-H498 WeakPolarHBondContact CB-CE1 3.14Å; P491-H498 VanDerWaalsContact O-CB 3.29Å; P491-H498 WeakPolarHBondContact O-CB 3.39Å; S494-H498 PolarHBondContact O-ND1 3.08Å; V495-H498 PolarHBondContact O-CE1 3.22Å; V495-H498 VanDerWaalsContact O-CE1 3.24Å; H498-R527 PolarHBondContact CD2-O 2.86Å; H498-R527 PolarHBondContact NE2-O 3.27Å; H498-E528 WeakPolarHBondContact O-CG 3.43Å; H498-K529 PolarHBondContact N-O 2.97Å; H498-K529 PolarHBondContact O-N 3.1Å; H498-K529 VanDerWaalsContact O-N 3.12Å
499	P	92.5	Very high	85.9	Confident	22 Å²	22	37.4 Å²	37.4	14%	0.143	21%	0.206	C	C	.	.			trans	-63	162.3	171	29.9	-36.1	0	0	0	111.6	A9 G10 P491	A9-P499 HydrophobicContact CB-CG 4.29Å; G10-P499 WeakPolarHBondContact O-CB 3.36Å; P491-P499 HydrophobicContact CB-CG 3.77Å
500	G	92.1	Very high	84.8	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	137.5	170	0	0	0	0	0	110.4	A9 G10 S526	A9-G500 CarbonylContact C-O 3.38Å; A9-G500 WeakPolarHBondContact CA-O 3.41Å; G10-G500 PolarHBondContact N-O 3.25Å; G10-G500 PolarHBondContact O-N 2.86Å; G500-S526 CarbonylContact C-O 3.56Å; G500-S526 WeakPolarHBondContact CA-O 3.02Å
501	M	91.6	Very high	84	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.6	-176.8	-65	-172	-70.3	0	0	111.1	L7 I8 A9 A398 W490 P491 Y524 V525 S526	L7-M501 HydrophobicContact CD1-CB 4.21Å; I8-M501 CarbonylContact O-C 3.36Å; I8-M501 WeakPolarHBondContact O-CA 3.36Å; A9-M501 HydrophobicContact CB-CG 4.13Å; A398-M501 HydrophobicContact CB-CE 3.93Å; W490-M501 HydrophobicContact CH2-CE 4.05Å; W490-M501 HydrophobicContact CH2-SD 4.02Å; W490-M501 HydrophobicContact CZ2-CE 3.64Å; W490-M501 HydrophobicContact CZ2-SD 4.09Å; W490-M501 HydrophobicContact CZ3-SD 4.44Å; P491-M501 HydrophobicContact CB-CG 4.39Å; P491-M501 HydrophobicContact CB-SD 3.78Å; P491-M501 HydrophobicContact CG-SD 4.03Å; M501-Y524 HydrophobicContact CB-CE1 4.41Å; M501-V525 WeakPolarHBondContact O-CA 3.19Å; M501-S526 PolarHBondContact N-O 2.63Å; M501-S526 PolarHBondContact O-N 3.31Å
502	I	91.6	Very high	83.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.2	174.8	-55.3	179.7	0	0	0	109.5	I8 V523 Y524 V548 L552 L754 A757 I758 I761	I8-I502 PolarHBondContact N-O 3.31Å; I8-I502 PolarHBondContact O-N 2.99Å; I502-V523 HydrophobicContact CG2-CG1 4.09Å; I502-Y524 WeakPolarHBondContact CA-O 3.25Å; I502-V548 HydrophobicContact CD1-CG2 3.65Å; I502-L552 HydrophobicContact CG2-CD1 4.47Å; I502-L754 HydrophobicContact CG2-CD2 4.28Å; I502-A757 HydrophobicContact CD1-CB 3.54Å; I502-I758 HydrophobicContact CD1-CG1 3.96Å; I502-I758 HydrophobicContact CG1-CG1 4.31Å; I502-I761 HydrophobicContact CD1-CD1 3.89Å; I502-I761 HydrophobicContact CG1-CD1 3.71Å
503	Q	88.3	Confident	83.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.8	171.8	167.7	65.5	-37.2	0	0	110.1	G5 R6 L7 D23 F403 F505 V523 Y524	G5-Q503 VanDerWaalsContact C-NE2 3.31Å; G5-Q503 PolarHBondContact O-NE2 3.08Å; R6-Q503 PolarHBondContact O-OE1 3.27Å; L7-Q503 HydrophobicContact CD1-CB 3.89Å; D23-Q503 PolarHBondContact OD2-NE2 2.94Å; F403-Q503 HydrophobicContact CE2-CB 3.87Å; F403-Q503 HydrophobicContact CE2-CG 3.83Å; F403-Q503 HydrophobicContact CZ-CG 4.2Å; Q503-F505 HydrophobicContact CG-CD1 3.93Å; Q503-F505 HydrophobicContact CG-CD2 4.12Å; Q503-F505 HydrophobicContact CG-CE1 3.65Å; Q503-F505 HydrophobicContact CG-CE2 3.85Å; Q503-F505 HydrophobicContact CG-CG 4.16Å; Q503-F505 HydrophobicContact CG-CZ 3.63Å; Q503-V523 CarbonylContact O-C 3.42Å; Q503-V523 WeakPolarHBondContact O-CA 3.31Å; Q503-Y524 PolarHBondContact N-O 2.96Å; Q503-Y524 PolarHBondContact O-N 3.13Å
504	V	87.9	Confident	83.5	Confident	11 Å²	11	41.7 Å²	41.7	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	109	175.4	-174.7	0	0	0	0	109	T3 R521 L522 V523	T3-V504 HydrophobicContact CG2-CB 4.01Å; T3-V504 HydrophobicContact CG2-CG2 4.03Å; T3-V504 PolarHBondContact OG1-O 3.31Å; V504-R521 HydrophobicContact CG1-CG 3.78Å; V504-L522 WeakPolarHBondContact CA-O 3.28Å; V504-V523 HydrophobicContact CG2-CG1 4.3Å; V504-V523 HydrophobicContact CG2-CG2 4.27Å
505	F	84.9	Confident	83.5	Confident	10 Å²	10	43.9 Å²	43.9	4%	0.044	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-42.8	-174.5	-64	-74.2	0	0	0	113.1	F403 L406 A410 Q503 L522	F403-F505 HydrophobicContact CD2-CZ 4.09Å; F403-F505 HydrophobicContact CE2-CE1 4.3Å; F403-F505 AromaticContact CE2-CZ 3.72Å; F403-F505 HydrophobicContact CE2-CZ 3.72Å; F403-F505 HydrophobicContact CZ-CE1 4.2Å; F403-F505 HydrophobicContact CZ-CZ 4.04Å; L406-F505 HydrophobicContact CB-CE2 3.9Å; L406-F505 HydrophobicContact CB-CZ 4.26Å; L406-F505 HydrophobicContact CD2-CE2 4.14Å; A410-F505 HydrophobicContact CB-CB 3.89Å; A410-F505 HydrophobicContact CB-CG 4.36Å; Q503-F505 HydrophobicContact CG-CD1 3.93Å; Q503-F505 HydrophobicContact CG-CD2 4.12Å; Q503-F505 HydrophobicContact CG-CE1 3.65Å; Q503-F505 HydrophobicContact CG-CE2 3.85Å; Q503-F505 HydrophobicContact CG-CG 4.16Å; Q503-F505 HydrophobicContact CG-CZ 3.63Å; F505-L522 HydrophobicContact CB-CD2 4.42Å; F505-L522 HydrophobicContact CD2-CD2 4.08Å; F505-L522 HydrophobicContact CD2-CG 4.24Å; F505-L522 PolarHBondContact N-O 2.76Å
506	L	83.7	Confident	83.5	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157.1	-175.2	-62.3	177.8	0	0	0	111.1	L380 A410 A413 R414 L519 R521 L522	L380-L506 HydrophobicContact CD1-CD1 3.93Å; A410-L506 HydrophobicContact CB-CD1 4.28Å; A410-L506 HydrophobicContact CB-CD2 4.35Å; A410-L506 HydrophobicContact CB-CG 4.12Å; A413-L506 HydrophobicContact CB-CD1 4.25Å; R414-L506 HydrophobicContact CG-CD2 4.48Å; L506-L519 HydrophobicContact CB-CB 4.36Å; L506-L519 HydrophobicContact CD1-CB 4.26Å; L506-L519 HydrophobicContact CD1-CD1 4.26Å; L506-L519 HydrophobicContact CD2-CD1 3.91Å; L506-R521 VanDerWaalsContact O-CA 3.26Å; L506-R521 WeakPolarHBondContact O-CA 3.36Å; L506-R521 VanDerWaalsContact O-CG 3.28Å; L506-R521 WeakPolarHBondContact O-CG 3.33Å; L506-L522 HydrophobicContact CB-CB 4.14Å; L506-L522 HydrophobicContact CD1-CB 4.37Å; L506-L522 HydrophobicContact CG-CB 4.36Å; L506-L522 PolarHBondContact O-N 2.87Å
507	G	74.4	Confident	83.5	Confident	5 Å²	5	39.2 Å²	39.2	5%	0.052	22%	0.219	C	C	.	.	S	Bend	trans	144.4	-170.5	173.9	0	0	0	0	0	113.3	D509 G510	G507-D509 VanDerWaalsContact C-N 3.27Å; G507-D509 PolarHBondContact O-N 2.83Å; G507-G510 PolarHBondContact O-N 3.24Å
508	S	65.5	Low	83.5	Confident	59 Å²	59	39.8 Å²	39.8	41%	0.413	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-38.7	-179	48.7	0	0	0	0	115.2
509	D	63.5	Low	83.5	Confident	71 Å²	71	40.1 Å²	40.1	38%	0.38	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-1.4	-178.4	-46.9	49.7	0	0	0	112.1	M1 N2 G507	M1-D509 VanDerWaalsContact CA-OD2 3.31Å; M1-D509 WeakPolarHBondContact CA-OD2 3.47Å; M1-D509 PolarHBondContact N-OD1 3.37Å; M1-D509 PolarHBondContact N-OD2 2.84Å; N2-D509 HydrophobicContact CB-CB 4.06Å; N2-D509 PolarHBondContact N-OD2 2.71Å; G507-D509 VanDerWaalsContact C-N 3.27Å; G507-D509 PolarHBondContact O-N 2.83Å
510	G	65.5	Low	83.5	Confident	35 Å²	35	39.1 Å²	39.1	36%	0.361	22%	0.215	S	C	.	.	S	Bend	trans	-102.6	-158.2	-171.6	0	0	0	0	0	113.1	G507	G507-G510 PolarHBondContact O-N 3.24Å
511	V	74	Confident	83.4	Confident	49 Å²	49	41.1 Å²	41.1	30%	0.297	22%	0.222	S	C	.	.			trans	-76.2	130.6	-179.3	-158.4	0	0	0	0	110.8	R414	R414-V511 VanDerWaalsContact CZ-CG1 3.46Å; R414-V511 VanDerWaalsContact NE-CG1 3.29Å
512	R	84.8	Confident	83.5	Confident	98 Å²	98	41.1 Å²	41.1	37%	0.37	22%	0.222	S	C	.	.			trans	-82.2	163	177	-70.8	173.6	175	-101.1	-12.6	112	R414 N516 N517 E518	R414-R512 PolarHBondContact NE-O 3.12Å; R512-N516 WeakPolarHBondContact CD-O 3.43Å; R512-N516 PolarHBondContact NH1-O 3.37Å; R512-N517 WeakPolarHBondContact CA-O 3.45Å; R512-N517 WeakPolarHBondContact CB-O 3.21Å; R512-E518 IonicContact CZ-OE1 3.86Å; R512-E518 IonicContact NH1-OE1 3.58Å; R512-E518 IonicContact NH2-OE1 3.64Å; R512-E518 PolarHBondContact NH2-OE1 2.84Å
513	D	85.4	Confident	83.6	Confident	10 Å²	10	41.1 Å²	41.1	5%	0.053	22%	0.222	C	C	.	.			trans	-70.4	176	174.1	79.8	5.7	0	0	0	112.5	P418 E515 N516 N517 L519	P418-D513 HydrophobicContact CG-CB 4.21Å; D513-E515 PolarHBondContact O-N 3.01Å; D513-E515 VanDerWaalsContact OD1-C 3.23Å; D513-E515 VanDerWaalsContact OD1-CA 3.31Å; D513-E515 WeakPolarHBondContact OD1-CA 3.33Å; D513-E515 PolarHBondContact OD1-N 3.04Å; D513-N516 PolarHBondContact O-N 2.93Å; D513-N516 VanDerWaalsContact O-N 3.09Å; D513-N516 PolarHBondContact OD1-N 3.09Å; D513-N517 PolarHBondContact N-O 3.11Å; D513-N517 PolarHBondContact OD1-N 3.37Å; D513-N517 PolarHBondContact OD1-ND2 3.45Å; D513-N517 WeakPolarHBondContact OD2-CB 3.15Å; D513-N517 PolarHBondContact OD2-ND2 2.86Å; D513-N517 VanDerWaalsContact OD2-ND2 3.12Å; D513-L519 HydrophobicContact CB-CD1 4.01Å; D513-L519 HydrophobicContact CB-CD2 4.17Å; D513-L519 HydrophobicContact CB-CG 4.06Å
514	V	85.2	Confident	83.9	Confident	90 Å²	90	41.1 Å²	41.1	55%	0.545	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.2	180	-63	0	0	0	0	114.4	R414 K415 P418	R414-V514 PolarHBondContact O-N 2.53Å; K415-V514 HydrophobicContact CG-CG1 4.38Å; P418-V514 HydrophobicContact CG-CG2 3.98Å
515	E	86.4	Confident	84.2	Confident	101 Å²	101	40.6 Å²	40.6	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	10.1	174.8	-67.6	178.8	177.6	0	0	111.3	D513 N517	D513-E515 PolarHBondContact O-N 3.01Å; D513-E515 VanDerWaalsContact OD1-C 3.23Å; D513-E515 VanDerWaalsContact OD1-CA 3.31Å; D513-E515 WeakPolarHBondContact OD1-CA 3.33Å; D513-E515 PolarHBondContact OD1-N 3.04Å; E515-N517 VanDerWaalsContact C-N 3.27Å; E515-N517 VanDerWaalsContact CB-ND2 3.32Å; E515-N517 WeakPolarHBondContact CB-ND2 3.45Å; E515-N517 PolarHBondContact O-N 3.48Å
516	N	86.1	Confident	84.7	Confident	118 Å²	118	40.1 Å²	40.1	63%	0.631	22%	0.217	S	C	*	.	S	Bend	trans	63.4	16.7	-175.4	-73.2	-65.3	0	0	0	116.3	R512 D513	R512-N516 WeakPolarHBondContact CD-O 3.43Å; R512-N516 PolarHBondContact NH1-O 3.37Å; D513-N516 PolarHBondContact O-N 2.93Å; D513-N516 VanDerWaalsContact O-N 3.09Å; D513-N516 PolarHBondContact OD1-N 3.09Å
517	N	88.7	Confident	85.1	Confident	79 Å²	79	40.2 Å²	40.2	42%	0.422	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-78.3	163.3	171.5	-48.2	-72.6	0	0	0	112	R512 D513 E515	R512-N517 WeakPolarHBondContact CA-O 3.45Å; R512-N517 WeakPolarHBondContact CB-O 3.21Å; D513-N517 PolarHBondContact N-O 3.11Å; D513-N517 PolarHBondContact OD1-N 3.37Å; D513-N517 PolarHBondContact OD1-ND2 3.45Å; D513-N517 WeakPolarHBondContact OD2-CB 3.15Å; D513-N517 PolarHBondContact OD2-ND2 2.86Å; D513-N517 VanDerWaalsContact OD2-ND2 3.12Å; E515-N517 VanDerWaalsContact C-N 3.27Å; E515-N517 VanDerWaalsContact CB-ND2 3.32Å; E515-N517 WeakPolarHBondContact CB-ND2 3.45Å; E515-N517 PolarHBondContact O-N 3.48Å
518	E	89.6	Confident	86	Confident	73 Å²	73	40.1 Å²	40.1	34%	0.341	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-83.5	137.6	173.8	-68.8	176.4	-153.7	0	0	111.7	V386 R512	V386-E518 WeakPolarHBondContact CG1-O 3.4Å; V386-E518 HydrophobicContact CG2-CB 4.33Å; R512-E518 IonicContact CZ-OE1 3.86Å; R512-E518 IonicContact NH1-OE1 3.58Å; R512-E518 IonicContact NH2-OE1 3.64Å; R512-E518 PolarHBondContact NH2-OE1 2.84Å
519	L	90.9	Very high	87.3	Confident	6 Å²	6	38.2 Å²	38.2	3%	0.031	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-96.6	150.8	176.5	-71.9	157.1	0	0	0	110.4	R414 V417 L506 D513	R414-L519 HydrophobicContact CB-CD1 4.32Å; R414-L519 HydrophobicContact CG-CD1 3.69Å; V417-L519 HydrophobicContact CB-CD2 3.74Å; V417-L519 HydrophobicContact CG1-CD2 3.78Å; V417-L519 HydrophobicContact CG2-CD2 4.04Å; L506-L519 HydrophobicContact CB-CB 4.36Å; L506-L519 HydrophobicContact CD1-CB 4.26Å; L506-L519 HydrophobicContact CD1-CD1 4.26Å; L506-L519 HydrophobicContact CD2-CD1 3.91Å; D513-L519 HydrophobicContact CB-CD1 4.01Å; D513-L519 HydrophobicContact CB-CD2 4.17Å; D513-L519 HydrophobicContact CB-CG 4.06Å
520	P	92.6	Very high	88.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-54.2	143.2	170.9	-24.3	34.9	0	0	0	111.3	L380 V386 V389 L522	L380-P520 HydrophobicContact CD2-CB 3.95Å; L380-P520 HydrophobicContact CD2-CG 4.49Å; V386-P520 HydrophobicContact CB-CG 4.42Å; V386-P520 HydrophobicContact CG1-CG 4.21Å; V389-P520 HydrophobicContact CB-CB 4.14Å; V389-P520 HydrophobicContact CG1-CB 4.3Å; P520-L522 PolarHBondContact O-N 3.27Å
521	R	91	Very high	89.7	Confident	44 Å²	44	38.8 Å²	38.8	17%	0.166	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	132.4	-176.5	-173.3	-176.2	-67.6	168.6	3.5	110.5	V389 A390 C391 V504 L506 V523 L552	V389-R521 PolarHBondContact O-N 2.64Å; A390-R521 CarbonylContact C-O 3.48Å; A390-R521 WeakPolarHBondContact CA-O 3.19Å; A390-R521 HydrophobicContact CB-CB 4.07Å; C391-R521 PolarHBondContact N-O 3.05Å; V504-R521 HydrophobicContact CG1-CG 3.78Å; L506-R521 VanDerWaalsContact O-CA 3.26Å; L506-R521 WeakPolarHBondContact O-CA 3.36Å; L506-R521 VanDerWaalsContact O-CG 3.28Å; L506-R521 WeakPolarHBondContact O-CG 3.33Å; R521-V523 HydrophobicContact CG-CG2 3.79Å; R521-L552 PolarHBondContact NH1-O 3.41Å
522	L	93.8	Very high	90.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.5	170.4	-178.7	63.6	0	0	0	109.5	V376 C391 V393 A410 V504 F505 L506 P520	V376-L522 HydrophobicContact CG1-CD1 3.82Å; V376-L522 HydrophobicContact CG1-CD2 4.17Å; C391-L522 HydrophobicContact CB-CD1 3.84Å; C391-L522 WeakPolarHBondContact O-CA 3.36Å; V393-L522 HydrophobicContact CG2-CD1 4.07Å; A410-L522 HydrophobicContact CB-CD2 4.24Å; V504-L522 WeakPolarHBondContact CA-O 3.28Å; F505-L522 HydrophobicContact CB-CD2 4.42Å; F505-L522 HydrophobicContact CD2-CD2 4.08Å; F505-L522 HydrophobicContact CD2-CG 4.24Å; F505-L522 PolarHBondContact N-O 2.76Å; L506-L522 HydrophobicContact CB-CB 4.14Å; L506-L522 HydrophobicContact CD1-CB 4.37Å; L506-L522 HydrophobicContact CG-CB 4.36Å; L506-L522 PolarHBondContact O-N 2.87Å; P520-L522 PolarHBondContact O-N 3.27Å
523	V	93.4	Very high	90.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.6	-179.1	-171.1	0	0	0	0	109.6	C391 Y392 V393 I502 Q503 V504 R521 V525 L552	C391-V523 PolarHBondContact O-N 2.76Å; Y392-V523 CarbonylContact C-O 3.48Å; Y392-V523 WeakPolarHBondContact CA-O 3.44Å; Y392-V523 HydrophobicContact CD1-CB 3.59Å; Y392-V523 HydrophobicContact CD1-CG1 3.84Å; Y392-V523 HydrophobicContact CD1-CG2 3.98Å; Y392-V523 HydrophobicContact CE1-CB 3.78Å; Y392-V523 HydrophobicContact CE1-CG1 3.9Å; Y392-V523 HydrophobicContact CE1-CG2 3.68Å; Y392-V523 HydrophobicContact CG-CB 4.22Å; V393-V523 PolarHBondContact N-O 2.91Å; I502-V523 HydrophobicContact CG2-CG1 4.09Å; Q503-V523 CarbonylContact O-C 3.42Å; Q503-V523 WeakPolarHBondContact O-CA 3.31Å; V504-V523 HydrophobicContact CG2-CG1 4.3Å; V504-V523 HydrophobicContact CG2-CG2 4.27Å; R521-V523 HydrophobicContact CG-CG2 3.79Å; V523-V525 HydrophobicContact CG1-CG2 3.88Å; V523-L552 HydrophobicContact CG1-CD1 4.34Å
524	Y	94.3	Very high	90.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.1	166.4	169.9	-91.5	0	0	0	109.2	D395 T402 F403 L406 M501 I502 Q503	D395-Y524 HydrophobicContact CB-CD2 4.34Å; D395-Y524 HydrophobicContact CB-CE2 3.41Å; D395-Y524 VanDerWaalsContact CB-CE2 3.41Å; D395-Y524 PolarHBondContact OD2-OH 3.36Å; T402-Y524 HydrophobicContact CG2-CE2 4.31Å; F403-Y524 AromaticContact CD2-CD1 3.92Å; F403-Y524 HydrophobicContact CD2-CD1 3.92Å; F403-Y524 AromaticContact CD2-CE1 3.98Å; F403-Y524 HydrophobicContact CD2-CE1 3.98Å; F403-Y524 HydrophobicContact CD2-CG 4.23Å; F403-Y524 HydrophobicContact CE2-CD1 4.37Å; L406-Y524 HydrophobicContact CD2-CD2 4.09Å; M501-Y524 HydrophobicContact CB-CE1 4.41Å; I502-Y524 WeakPolarHBondContact CA-O 3.25Å; Q503-Y524 PolarHBondContact N-O 2.96Å; Q503-Y524 PolarHBondContact O-N 3.13Å
525	V	94.7	Very high	90.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.8	178.5	-174.4	0	0	0	0	108.9	Y392 V393 S394 D395 M501 V523 L545 V548 I761	Y392-V525 HydrophobicContact CD1-CG2 4.42Å; V393-V525 PolarHBondContact O-N 2.94Å; S394-V525 VanDerWaalsContact CA-O 3.31Å; S394-V525 WeakPolarHBondContact CA-O 3.32Å; D395-V525 PolarHBondContact N-O 3.03Å; M501-V525 WeakPolarHBondContact O-CA 3.19Å; V523-V525 HydrophobicContact CG1-CG2 3.88Å; V525-L545 HydrophobicContact CB-CD2 4.12Å; V525-L545 HydrophobicContact CG1-CD2 4.47Å; V525-L545 HydrophobicContact CG2-CD2 4.1Å; V525-V548 HydrophobicContact CG1-CG1 4.41Å; V525-V548 HydrophobicContact CG2-CG1 4.03Å; V525-I761 HydrophobicContact CG1-CD1 4.14Å; V525-I761 HydrophobicContact CG1-CG2 4.33Å
526	S	94.4	Very high	90.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.6	160.7	-174.5	0	0	0	0	109	D395 G500 M501	D395-S526 PolarHBondContact O-OG 3.34Å; D395-S526 VanDerWaalsContact O-OG 3.11Å; G500-S526 CarbonylContact C-O 3.56Å; G500-S526 WeakPolarHBondContact CA-O 3.02Å; M501-S526 PolarHBondContact N-O 2.63Å; M501-S526 PolarHBondContact O-N 3.31Å
527	R	93.5	Very high	90.1	Very high	6 Å²	6	40.1 Å²	40.1	2%	0.023	22%	0.218	C	C	.	.			trans	-79.4	149.5	-175.3	58.2	177.4	-72.9	132.3	-8.3	110.8	H498 K529 G540 S544 E766	H498-R527 PolarHBondContact CD2-O 2.86Å; H498-R527 PolarHBondContact NE2-O 3.27Å; R527-K529 HydrophobicContact CG-CG 4.47Å; R527-K529 PolarHBondContact O-N 2.76Å; R527-G540 PolarHBondContact NH1-O 2.95Å; R527-S544 PolarHBondContact NH1-OG 2.95Å; R527-S544 VanDerWaalsContact NH1-OG 3.09Å; R527-E766 IonicContact NH1-OE1 3.71Å; R527-E766 PolarHBondContact NH1-OE1 3.09Å; R527-E766 IonicContact NH2-OE1 2.7Å
528	E	93.6	Very high	90.1	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.014	21%	0.207	C	C	.	.			trans	-62.9	132.8	175.2	-175.8	175.5	-158.3	0	0	110.3	S11 H498 R530 I761 S762 C763	S11-E528 WeakPolarHBondContact CB-OE1 3.46Å; S11-E528 PolarHBondContact OG-OE1 2.94Å; H498-E528 WeakPolarHBondContact O-CG 3.43Å; E528-R530 HydrophobicContact CG-CG 4.3Å; E528-R530 IonicContact OE1-CZ 2.85Å; E528-R530 VanDerWaalsContact OE1-CZ 3.27Å; E528-R530 IonicContact OE1-NE 2.85Å; E528-R530 PolarHBondContact OE1-NE 2.91Å; E528-R530 IonicContact OE1-NH2 3.13Å; E528-R530 PolarHBondContact OE1-NH2 2.96Å; E528-I761 PolarHBondContact N-O 3.11Å; E528-S762 VanDerWaalsContact OE2-CA 3.27Å; E528-S762 WeakPolarHBondContact OE2-CA 3.44Å; E528-S762 WeakPolarHBondContact OE2-CB 3.38Å; E528-C763 HydrophobicContact CB-CB 4.41Å; E528-C763 HydrophobicContact CG-CB 4.29Å; E528-C763 PolarHBondContact OE2-N 3.42Å
529	K	92.5	Very high	90.2	Very high	19 Å²	19	35.2 Å²	35.2	8%	0.083	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-128.4	135.2	175.3	-61.9	-170.8	-171.2	-169.4	0	109.6	D396 R496 D497 H498 R527	D396-K529 PolarHBondContact O-NZ 2.89Å; D396-K529 VanDerWaalsContact OD1-CE 3.3Å; D396-K529 WeakPolarHBondContact OD1-CE 3.32Å; D396-K529 IonicContact OD1-NZ 2.72Å; D396-K529 PolarHBondContact OD1-NZ 3.09Å; D396-K529 IonicContact OD2-NZ 2.67Å; R496-K529 CarbonylContact O-C 3.56Å; D497-K529 CarbonylContact C-O 3.46Å; D497-K529 VanDerWaalsContact CA-O 3.28Å; D497-K529 WeakPolarHBondContact CA-O 3.4Å; H498-K529 PolarHBondContact N-O 2.97Å; H498-K529 PolarHBondContact O-N 3.1Å; H498-K529 VanDerWaalsContact O-N 3.12Å; R527-K529 HydrophobicContact CG-CG 4.47Å; R527-K529 PolarHBondContact O-N 2.76Å
530	R	91.3	Very high	90.2	Very high	31 Å²	31	35 Å²	35	12%	0.117	19%	0.191	C	C	.	.			trans	-136.9	146.5	179.7	-59.2	-61.9	-178.3	-177.3	-0.9	109.3	S11 R496 D497 E528 G532 F533	S11-R530 VanDerWaalsContact CB-NH2 3.29Å; S11-R530 PolarHBondContact OG-NH2 2.94Å; R496-R530 CarbonylContact O-C 3.55Å; R496-R530 WeakPolarHBondContact O-CA 3.39Å; D497-R530 WeakPolarHBondContact OD1-CD 3.41Å; D497-R530 IonicContact OD1-CZ 2.83Å; D497-R530 IonicContact OD1-NE 3.48Å; D497-R530 IonicContact OD1-NH1 2.89Å; D497-R530 PolarHBondContact OD1-NH1 3.36Å; E528-R530 HydrophobicContact CG-CG 4.3Å; E528-R530 IonicContact OE1-CZ 2.85Å; E528-R530 VanDerWaalsContact OE1-CZ 3.27Å; E528-R530 IonicContact OE1-NE 2.85Å; E528-R530 PolarHBondContact OE1-NE 2.91Å; E528-R530 IonicContact OE1-NH2 3.13Å; E528-R530 PolarHBondContact OE1-NH2 2.96Å; R530-G532 PolarHBondContact O-N 3.21Å; R530-F533 HydrophobicContact CB-CD2 3.94Å; R530-F533 HydrophobicContact CB-CE2 4.42Å; R530-F533 PolarHBondContact O-N 3.33Å
531	P	88.2	Confident	90.3	Very high	87 Å²	87	35 Å²	35	57%	0.565	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	136.9	174.9	-24.8	35.4	0	0	0	111.6	R496 D497	R496-P531 WeakPolarHBondContact O-CD 3.38Å; D497-P531 HydrophobicContact CB-CG 4.18Å
532	G	84.3	Confident	90.4	Very high	87 Å²	87	32.9 Å²	32.9	90%	0.897	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-11.4	179.7	0	0	0	0	0	115.9	R530	R530-G532 PolarHBondContact O-N 3.21Å
533	F	85.2	Confident	90.5	Very high	96 Å²	96	32.9 Å²	32.9	42%	0.421	18%	0.183	S	C	.	.			trans	-92.5	130.7	170.8	-73.5	-101.1	0	0	0	110.6	R530 C763	R530-F533 HydrophobicContact CB-CD2 3.94Å; R530-F533 HydrophobicContact CB-CE2 4.42Å; R530-F533 PolarHBondContact O-N 3.33Å; F533-C763 HydrophobicContact CD1-CB 4.24Å; F533-C763 HydrophobicContact CG-CB 4.33Å
534	D	83.8	Confident	90.6	Very high	104 Å²	104	32.9 Å²	32.9	56%	0.556	18%	0.183	S	C	*	.			trans	-72.9	132.7	164.5	-172.1	3	0	0	0	108.9	H536	D534-H536 VanDerWaalsContact CG-CE1 3.49Å; D534-H536 PolarHBondContact OD1-N 2.87Å; D534-H536 IonicContact OD1-ND1 3.97Å; D534-H536 IonicContact OD2-CE1 3.23Å; D534-H536 PolarHBondContact OD2-CE1 3.14Å; D534-H536 IonicContact OD2-CG 2.76Å; D534-H536 IonicContact OD2-ND1 2.76Å; D534-H536 PolarHBondContact OD2-ND1 3.39Å
535	H	84.4	Confident	90.7	Very high	62 Å²	62	32.9 Å²	32.9	29%	0.287	18%	0.183	S	C	.	.			trans	-100.1	-2.4	177.9	68.6	103	0	0	0	112.6	D396 K537 G540	D396-H535 IonicContact OD2-CE1 2.77Å; D396-H535 IonicContact OD2-ND1 2.93Å; H535-K537 PolarHBondContact ND1-N 2.98Å; H535-K537 PolarHBondContact O-N 3.09Å; H535-G540 WeakPolarHBondContact O-CA 3.03Å
536	H	86	Confident	90.7	Very high	62 Å²	62	32.9 Å²	32.9	29%	0.287	18%	0.183	S	C	.	.			trans	54.3	22.5	176.1	-52.6	-55.1	0	0	0	115.2	D534 A539 G540 Y779	D534-H536 VanDerWaalsContact CG-CE1 3.49Å; D534-H536 PolarHBondContact OD1-N 2.87Å; D534-H536 IonicContact OD1-ND1 3.97Å; D534-H536 IonicContact OD2-CE1 3.23Å; D534-H536 PolarHBondContact OD2-CE1 3.14Å; D534-H536 IonicContact OD2-CG 2.76Å; D534-H536 IonicContact OD2-ND1 2.76Å; D534-H536 PolarHBondContact OD2-ND1 3.39Å; H536-A539 PolarHBondContact O-N 3.28Å; H536-G540 PolarHBondContact O-N 2.82Å; H536-Y779 HydrophobicContact CB-CD1 3.91Å; H536-Y779 HydrophobicContact CB-CD2 4.3Å; H536-Y779 HydrophobicContact CB-CE1 3.96Å; H536-Y779 HydrophobicContact CB-CE2 4.36Å; H536-Y779 HydrophobicContact CB-CG 4.1Å; H536-Y779 AromaticContact CD2-CD2 3.14Å; H536-Y779 WeakPolarHBondContact CD2-CD2 3.41Å; H536-Y779 AromaticContact CD2-CE2 3.03Å; H536-Y779 WeakPolarHBondContact CD2-CE2 3.28Å; H536-Y779 AromaticContact CD2-CG 3.81Å; H536-Y779 AromaticContact CD2-CZ 3.59Å; H536-Y779 AromaticContact CE1-CD2 3.9Å; H536-Y779 AromaticContact CG-CD2 3.61Å; H536-Y779 AromaticContact CG-CE2 3.82Å; H536-Y779 AromaticContact CG-CG 3.79Å; H536-Y779 AromaticContact NE2-CD2 3.34Å; H536-Y779 VanDerWaalsContact NE2-CD2 3.34Å; H536-Y779 WeakPolarHBondContact NE2-CD2 3.44Å; H536-Y779 AromaticContact NE2-CE2 3.53Å
537	K	85.4	Confident	90.7	Very high	83 Å²	83	32.9 Å²	32.9	36%	0.361	18%	0.183	S	C	.	.	H	α-helix	trans	51.3	-138.6	176.6	-54.8	165.4	-172.4	162.6	0	110.8	H535 A539 G540 A541 F959	H535-K537 PolarHBondContact ND1-N 2.98Å; H535-K537 PolarHBondContact O-N 3.09Å; K537-A539 VanDerWaalsContact C-N 3.29Å; K537-A539 PolarHBondContact O-N 3.25Å; K537-G540 PolarHBondContact O-N 3.49Å; K537-G540 VanDerWaalsContact O-N 3.1Å; K537-A541 PolarHBondContact O-N 2.95Å; K537-F959 HydrophobicContact CD-CD1 4.39Å; K537-F959 HydrophobicContact CD-CG 4.41Å
538	K	89.1	Confident	90.7	Very high	44 Å²	44	32.6 Å²	32.6	19%	0.191	18%	0.182	C	C	.	.	H	α-helix	trans	-52.4	-40.2	178.3	-171.3	-180	-177.5	-175.3	0	113.5	G540 A541 M542 D562 G632	K538-G540 VanDerWaalsContact C-N 3.33Å; K538-G540 PolarHBondContact O-N 3.29Å; K538-A541 PolarHBondContact O-N 3.03Å; K538-M542 HydrophobicContact CG-CG 4.1Å; K538-M542 WeakPolarHBondContact O-CB 3.47Å; K538-M542 WeakPolarHBondContact O-CG 3.47Å; K538-M542 PolarHBondContact O-N 2.8Å; K538-D562 WeakPolarHBondContact CE-OD1 3.29Å; K538-D562 VanDerWaalsContact NZ-CG 3.34Å; K538-D562 IonicContact NZ-OD1 2.7Å; K538-D562 PolarHBondContact NZ-OD1 3.21Å; K538-D562 IonicContact NZ-OD2 3.14Å; K538-D562 PolarHBondContact NZ-OD2 3.42Å; K538-G632 PolarHBondContact NZ-O 3.43Å
539	A	91.5	Very high	90.8	Very high	5 Å²	5	32.4 Å²	32.4	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-43.4	178.9	0	0	0	0	0	111.7	H536 K537 N543 W777 Y779 E784	H536-A539 PolarHBondContact O-N 3.28Å; K537-A539 VanDerWaalsContact C-N 3.29Å; K537-A539 PolarHBondContact O-N 3.25Å; A539-N543 PolarHBondContact O-N 3.49Å; A539-N543 VanDerWaalsContact O-N 3.11Å; A539-W777 HydrophobicContact CB-CB 4.19Å; A539-Y779 HydrophobicContact CB-CD1 3.72Å; A539-Y779 HydrophobicContact CB-CE1 3.86Å; A539-E784 HydrophobicContact CB-CB 4.02Å; A539-E784 HydrophobicContact CB-CG 3.84Å
540	G	92.1	Very high	90.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-48.4	173.3	0	0	0	0	0	112	R527 H535 H536 K537 K538 M542 N543 S544	R527-G540 PolarHBondContact NH1-O 2.95Å; H535-G540 WeakPolarHBondContact O-CA 3.03Å; H536-G540 PolarHBondContact O-N 2.82Å; K537-G540 PolarHBondContact O-N 3.49Å; K537-G540 VanDerWaalsContact O-N 3.1Å; K538-G540 VanDerWaalsContact C-N 3.33Å; K538-G540 PolarHBondContact O-N 3.29Å; G540-M542 VanDerWaalsContact C-N 3.32Å; G540-M542 PolarHBondContact O-N 2.74Å; G540-N543 PolarHBondContact O-N 3.42Å; G540-S544 PolarHBondContact O-N 3.27Å; G540-S544 PolarHBondContact O-OG 3.15Å
541	A	93.3	Very high	90.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-53.6	-48.2	178.4	0	0	0	0	0	111.9	K537 K538 N543 S544 L545	K537-A541 PolarHBondContact O-N 2.95Å; K538-A541 PolarHBondContact O-N 3.03Å; A541-N543 PolarHBondContact O-N 2.98Å; A541-S544 WeakPolarHBondContact CA-OG 3.49Å; A541-S544 PolarHBondContact O-N 3.04Å; A541-S544 PolarHBondContact O-OG 2.89Å; A541-L545 PolarHBondContact O-N 3.37Å
542	M	94.2	Very high	90.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-38.2	175.9	-70.1	-60.5	-67.5	0	0	113.1	F358 K538 G540 L545 I546 N560 W777	F358-M542 HydrophobicContact CB-CE 4.17Å; F358-M542 HydrophobicContact CB-SD 4.38Å; F358-M542 HydrophobicContact CD2-CE 3.74Å; F358-M542 HydrophobicContact CD2-SD 4.41Å; F358-M542 HydrophobicContact CG-CE 4.48Å; K538-M542 HydrophobicContact CG-CG 4.1Å; K538-M542 WeakPolarHBondContact O-CB 3.47Å; K538-M542 WeakPolarHBondContact O-CG 3.47Å; K538-M542 PolarHBondContact O-N 2.8Å; G540-M542 VanDerWaalsContact C-N 3.32Å; G540-M542 PolarHBondContact O-N 2.74Å; M542-L545 PolarHBondContact O-N 3.45Å; M542-L545 HydrophobicContact SD-CD1 4.39Å; M542-I546 WeakPolarHBondContact O-CG1 3.49Å; M542-I546 PolarHBondContact O-N 2.95Å; M542-N560 HydrophobicContact CE-CB 3.79Å; M542-N560 WeakPolarHBondContact CE-OD1 3.35Å; M542-N560 PolarHBondContact SD-OD1 2.93Å; M542-W777 HydrophobicContact CB-CD2 3.75Å; M542-W777 HydrophobicContact CB-CE3 3.71Å; M542-W777 HydrophobicContact CB-CG 4.1Å; M542-W777 HydrophobicContact CB-CZ3 4.23Å; M542-W777 HydrophobicContact CE-CD2 4.4Å; M542-W777 HydrophobicContact CE-CE3 4.29Å; M542-W777 HydrophobicContact CE-CH2 3.35Å; M542-W777 HydrophobicContact CE-CZ2 3.43Å; M542-W777 VanDerWaalsContact CE-CZ2 3.43Å; M542-W777 HydrophobicContact CE-CZ3 3.78Å; M542-W777 HydrophobicContact CG-CD2 4.36Å
543	N	95.2	Very high	91	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.6	-39	175.2	-77.6	-15.8	0	0	0	112.4	A539 G540 A541 L545 I546 R547 W771 G776 W777 Y779	A539-N543 PolarHBondContact O-N 3.49Å; A539-N543 VanDerWaalsContact O-N 3.11Å; G540-N543 PolarHBondContact O-N 3.42Å; A541-N543 PolarHBondContact O-N 2.98Å; N543-L545 VanDerWaalsContact C-N 3.33Å; N543-L545 PolarHBondContact O-N 3.02Å; N543-I546 PolarHBondContact O-N 3.02Å; N543-R547 WeakPolarHBondContact O-CG 3.27Å; N543-R547 PolarHBondContact O-N 3.03Å; N543-W771 HydrophobicContact CB-CE3 4.02Å; N543-W771 HydrophobicContact CB-CZ3 4.21Å; N543-G776 WeakPolarHBondContact OD1-CA 3.47Å; N543-W777 PolarHBondContact ND2-O 2.96Å; N543-W777 PolarHBondContact OD1-N 3.45Å; N543-Y779 WeakPolarHBondContact ND2-CE1 3.18Å; N543-Y779 VanDerWaalsContact ND2-CZ 3.26Å; N543-Y779 PolarHBondContact ND2-OH 2.96Å
544	S	94.9	Very high	91.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-39.2	168.7	27.9	0	0	0	0	112.1	R527 G540 A541 R547 V548	R527-S544 PolarHBondContact NH1-OG 2.95Å; R527-S544 VanDerWaalsContact NH1-OG 3.09Å; G540-S544 PolarHBondContact O-N 3.27Å; G540-S544 PolarHBondContact O-OG 3.15Å; A541-S544 WeakPolarHBondContact CA-OG 3.49Å; A541-S544 PolarHBondContact O-N 3.04Å; A541-S544 PolarHBondContact O-OG 2.89Å; S544-R547 PolarHBondContact O-N 2.93Å; S544-V548 WeakPolarHBondContact O-CB 3.42Å; S544-V548 PolarHBondContact O-N 3.37Å
545	L	96.2	Very high	91.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-42.9	174.8	-73.8	-171.1	0	0	0	113.2	F358 V525 A541 M542 N543 R547 V548 S549	F358-L545 HydrophobicContact CB-CD1 3.68Å; F358-L545 HydrophobicContact CD1-CB 4.3Å; F358-L545 HydrophobicContact CD1-CD1 4.16Å; F358-L545 HydrophobicContact CD2-CB 3.67Å; F358-L545 HydrophobicContact CD2-CD1 3.97Å; F358-L545 HydrophobicContact CE1-CB 4.19Å; F358-L545 HydrophobicContact CE2-CB 3.56Å; F358-L545 HydrophobicContact CG-CB 4.06Å; F358-L545 HydrophobicContact CG-CD1 3.69Å; F358-L545 VanDerWaalsContact CZ-C 3.46Å; F358-L545 HydrophobicContact CZ-CB 3.83Å; F358-L545 VanDerWaalsContact CZ-O 3.3Å; F358-L545 WeakPolarHBondContact CZ-O 3.48Å; V525-L545 HydrophobicContact CB-CD2 4.12Å; V525-L545 HydrophobicContact CG1-CD2 4.47Å; V525-L545 HydrophobicContact CG2-CD2 4.1Å; A541-L545 PolarHBondContact O-N 3.37Å; M542-L545 PolarHBondContact O-N 3.45Å; M542-L545 HydrophobicContact SD-CD1 4.39Å; N543-L545 VanDerWaalsContact C-N 3.33Å; N543-L545 PolarHBondContact O-N 3.02Å; L545-R547 VanDerWaalsContact C-N 3.27Å; L545-R547 PolarHBondContact O-N 3.38Å; L545-V548 HydrophobicContact CD2-CG1 4.23Å; L545-S549 PolarHBondContact O-N 3.04Å
546	I	95.5	Very high	92.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-55.7	-47.5	174.2	-62.2	163.4	0	0	0	109.9	F358 M542 N543 G550 L558 R639 L642 Y643 W771 W777	F358-I546 HydrophobicContact CE2-CG1 4.18Å; M542-I546 WeakPolarHBondContact O-CG1 3.49Å; M542-I546 PolarHBondContact O-N 2.95Å; N543-I546 PolarHBondContact O-N 3.02Å; I546-G550 WeakPolarHBondContact O-CA 3.14Å; I546-G550 PolarHBondContact O-N 3.48Å; I546-L558 HydrophobicContact CG1-CD1 4.1Å; I546-L558 HydrophobicContact CG2-CD1 4.36Å; I546-R639 PolarHBondContact O-NH1 3.23Å; I546-L642 HydrophobicContact CD1-CB 4.33Å; I546-L642 HydrophobicContact CD1-CD1 4.36Å; I546-Y643 HydrophobicContact CG2-CD1 4.3Å; I546-Y643 HydrophobicContact CG2-CE1 3.5Å; I546-Y643 VanDerWaalsContact CG2-CE1 3.5Å; I546-W771 HydrophobicContact CB-CH2 4.23Å; I546-W771 HydrophobicContact CB-CZ3 4.43Å; I546-W771 HydrophobicContact CD1-CH2 4.44Å; I546-W771 HydrophobicContact CD1-CZ3 3.98Å; I546-W771 HydrophobicContact CG2-CH2 3.98Å; I546-W777 HydrophobicContact CD1-CE3 3.6Å; I546-W777 HydrophobicContact CD1-CZ3 3.57Å; I546-W777 HydrophobicContact CG1-CE3 4.23Å; I546-W777 HydrophobicContact CG1-CZ3 3.79Å
547	R	94.9	Very high	92.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.6	-50.4	-175.3	-67.7	-169.2	-52.9	-97.8	10.8	111.7	N543 S544 L545 G550 V551 F733 V760 E766 W771	N543-R547 WeakPolarHBondContact O-CG 3.27Å; N543-R547 PolarHBondContact O-N 3.03Å; S544-R547 PolarHBondContact O-N 2.93Å; L545-R547 VanDerWaalsContact C-N 3.27Å; L545-R547 PolarHBondContact O-N 3.38Å; R547-G550 CarbonylContact O-C 3.48Å; R547-G550 WeakPolarHBondContact O-CA 3.27Å; R547-G550 PolarHBondContact O-N 3.21Å; R547-G550 VanDerWaalsContact O-N 3.14Å; R547-V551 PolarHBondContact O-N 3.16Å; R547-F733 HydrophobicContact CB-CE2 4.29Å; R547-F733 HydrophobicContact CG-CE2 4.3Å; R547-F733 HydrophobicContact CG-CZ 4.17Å; R547-V760 HydrophobicContact CB-CB 3.99Å; R547-V760 HydrophobicContact CB-CG2 3.92Å; R547-V760 VanDerWaalsContact CZ-O 3.29Å; R547-V760 PolarHBondContact NE-O 3.45Å; R547-V760 PolarHBondContact NH2-O 2.84Å; R547-E766 IonicContact CZ-OE1 3.4Å; R547-E766 VanDerWaalsContact CZ-OE1 3.22Å; R547-E766 VanDerWaalsContact NH1-CD 3.29Å; R547-E766 IonicContact NH1-OE1 3.39Å; R547-E766 PolarHBondContact NH1-OE1 3.33Å; R547-E766 IonicContact NH2-OE1 2.69Å; R547-E766 PolarHBondContact NH2-OE1 3.01Å; R547-W771 HydrophobicContact CG-CH2 3.65Å; R547-W771 HydrophobicContact CG-CZ2 3.39Å; R547-W771 HydrophobicContact CG-CZ3 4.33Å
548	V	94.1	Very high	93.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.3	-45.3	-177	83.9	0	0	0	0	111.5	Y392 I502 V525 S544 L545 G550 V551 L552 A757 I761	Y392-V548 HydrophobicContact CD1-CG1 4.33Å; Y392-V548 HydrophobicContact CE1-CG1 4.45Å; I502-V548 HydrophobicContact CD1-CG2 3.65Å; V525-V548 HydrophobicContact CG1-CG1 4.41Å; V525-V548 HydrophobicContact CG2-CG1 4.03Å; S544-V548 WeakPolarHBondContact O-CB 3.42Å; S544-V548 PolarHBondContact O-N 3.37Å; L545-V548 HydrophobicContact CD2-CG1 4.23Å; V548-G550 VanDerWaalsContact C-N 3.25Å; V548-G550 PolarHBondContact O-N 3.18Å; V548-V551 PolarHBondContact O-N 2.67Å; V548-L552 HydrophobicContact CG2-CD1 4Å; V548-L552 WeakPolarHBondContact O-CG 3.35Å; V548-L552 PolarHBondContact O-N 2.89Å; V548-A757 HydrophobicContact CG2-CB 3.79Å; V548-I761 HydrophobicContact CB-CG2 3.83Å; V548-I761 HydrophobicContact CG2-CG2 3.94Å
549	S	94.5	Very high	93.7	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-69.9	-27	175.3	95.6	0	0	0	0	111.6	D356 F358 L545 V551 L552 S553 N554 R639	D356-S549 WeakPolarHBondContact OD2-CB 3.35Å; D356-S549 PolarHBondContact OD2-OG 2.9Å; F358-S549 WeakPolarHBondContact CZ-OG 3.32Å; L545-S549 PolarHBondContact O-N 3.04Å; S549-V551 PolarHBondContact O-N 3.37Å; S549-L552 PolarHBondContact O-N 2.96Å; S549-S553 PolarHBondContact O-N 3.36Å; S549-S553 PolarHBondContact O-OG 3.1Å; S549-N554 WeakPolarHBondContact O-CA 3.44Å; S549-N554 PolarHBondContact O-N 3.45Å; S549-R639 PolarHBondContact OG-NH2 3.22Å
550	G	92	Very high	93.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-62.3	-20.2	169.4	0	0	0	0	0	114.7	I546 R547 V548 R639 S736	I546-G550 WeakPolarHBondContact O-CA 3.14Å; I546-G550 PolarHBondContact O-N 3.48Å; R547-G550 CarbonylContact O-C 3.48Å; R547-G550 WeakPolarHBondContact O-CA 3.27Å; R547-G550 PolarHBondContact O-N 3.21Å; R547-G550 VanDerWaalsContact O-N 3.14Å; V548-G550 VanDerWaalsContact C-N 3.25Å; V548-G550 PolarHBondContact O-N 3.18Å; G550-R639 VanDerWaalsContact CA-NH1 3.28Å; G550-S736 WeakPolarHBondContact O-CB 3.31Å; G550-S736 PolarHBondContact O-OG 2.87Å
551	V	91.2	Very high	94	Very high	6 Å²	6	2.8 Å²	2.8	4%	0.036	2%	0.017	C	C	.	.	H	α-helix	trans	-94.2	-39.4	169.8	179.2	0	0	0	0	111.2	R547 V548 S549 V732 F733 L753 E756 A757 V760	R547-V551 PolarHBondContact O-N 3.16Å; V548-V551 PolarHBondContact O-N 2.67Å; S549-V551 PolarHBondContact O-N 3.37Å; V551-V732 HydrophobicContact CG1-CG1 4.25Å; V551-F733 HydrophobicContact CG2-CB 4.24Å; V551-F733 HydrophobicContact CG2-CD2 4.3Å; V551-L753 HydrophobicContact CG1-CB 4.46Å; V551-L753 HydrophobicContact CG1-CD2 4.14Å; V551-L753 WeakPolarHBondContact CG1-O 3.45Å; V551-E756 HydrophobicContact CG1-CB 4.11Å; V551-A757 HydrophobicContact CG1-CB 4.48Å; V551-V760 HydrophobicContact CG2-CG1 4.39Å; V551-V760 HydrophobicContact CG2-CG2 4.22Å
552	L	88.7	Confident	93.9	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	2%	0.024	C	C	.	.	H	α-helix	trans	-89.4	-26.1	-167.2	-62.8	179.1	0	0	0	116.4	M1 Y392 I502 R521 V523 V548 S549 L754 A757	M1-L552 HydrophobicContact CE-CB 4.48Å; M1-L552 HydrophobicContact CE-CD2 3.75Å; M1-L552 HydrophobicContact SD-CB 4.37Å; M1-L552 HydrophobicContact SD-CD2 3.74Å; Y392-L552 HydrophobicContact CE1-CD1 4.25Å; I502-L552 HydrophobicContact CG2-CD1 4.47Å; R521-L552 PolarHBondContact NH1-O 3.41Å; V523-L552 HydrophobicContact CG1-CD1 4.34Å; V548-L552 HydrophobicContact CG2-CD1 4Å; V548-L552 WeakPolarHBondContact O-CG 3.35Å; V548-L552 PolarHBondContact O-N 2.89Å; S549-L552 PolarHBondContact O-N 2.96Å; L552-L754 HydrophobicContact CD2-CD2 4.11Å; L552-A757 HydrophobicContact CD1-CB 4.24Å; L552-A757 HydrophobicContact CD2-CB 3.87Å; L552-A757 HydrophobicContact CG-CB 4.07Å
553	S	88.6	Confident	93.7	Very high	28 Å²	28	4.4 Å²	4.4	20%	0.196	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.1	-32.5	179.9	51.6	0	0	0	0	113.6	D356 Y392 S549 A555	D356-S553 VanDerWaalsContact CG-OG 3.25Å; D356-S553 WeakPolarHBondContact OD1-CB 3.3Å; D356-S553 PolarHBondContact OD1-OG 3.42Å; D356-S553 PolarHBondContact OD2-OG 2.97Å; Y392-S553 WeakPolarHBondContact OH-CB 3.39Å; Y392-S553 PolarHBondContact OH-OG 3.12Å; S549-S553 PolarHBondContact O-N 3.36Å; S549-S553 PolarHBondContact O-OG 3.1Å; S553-A555 VanDerWaalsContact C-N 3.34Å; S553-A555 PolarHBondContact O-N 2.71Å
554	N	92.7	Very high	93.3	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.028	C	C	.	.			trans	49.5	47.9	-178.3	-165.6	27.9	0	0	0	113.1	S549 R639 S736 G742 G743	S549-N554 WeakPolarHBondContact O-CA 3.44Å; S549-N554 PolarHBondContact O-N 3.45Å; N554-R639 VanDerWaalsContact OD1-CD 3.31Å; N554-R639 WeakPolarHBondContact OD1-CD 3.44Å; N554-R639 PolarHBondContact OD1-NE 3.37Å; N554-S736 PolarHBondContact ND2-O 3.4Å; N554-S736 VanDerWaalsContact ND2-O 3.08Å; N554-G742 CarbonylContact O-C 3.59Å; N554-G742 WeakPolarHBondContact O-CA 3.37Å; N554-G743 WeakPolarHBondContact CB-O 3.22Å; N554-G743 PolarHBondContact ND2-O 2.83Å; N554-G743 PolarHBondContact O-N 3.02Å
555	A	94	Very high	93.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.			trans	-64.5	134.7	176.9	0	0	0	0	0	111.1	P354 D356 S553 Y557 R639	P354-A555 HydrophobicContact CB-CB 3.83Å; D356-A555 HydrophobicContact CB-CB 4.26Å; D356-A555 WeakPolarHBondContact OD1-CB 3.31Å; D356-A555 WeakPolarHBondContact OD2-CB 3.48Å; S553-A555 VanDerWaalsContact C-N 3.34Å; S553-A555 PolarHBondContact O-N 2.71Å; A555-Y557 PolarHBondContact O-N 3.34Å; A555-R639 PolarHBondContact O-NE 3.31Å
556	P	94.5	Very high	93	Very high	8 Å²	8	5.1 Å²	5.1	5%	0.052	3%	0.029	C	C	.	.	S	Bend	trans	-67.1	-16.8	179.2	28.3	-35.9	0	0	0	113.1	P354 R639	P354-P556 WeakPolarHBondContact O-CD 3.19Å; P556-R639 WeakPolarHBondContact O-CB 3.3Å; P556-R639 PolarHBondContact O-N 2.73Å
557	Y	96.3	Very high	92.9	Very high	13 Å²	13	5.1 Å²	5.1	5%	0.051	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.1	178.6	-56.7	-57.7	0	0	0	112.1	S353 V355 D356 A555 M577 M580 M581 F637 R638	S353-Y557 VanDerWaalsContact CB-CE2 3.48Å; V355-Y557 WeakPolarHBondContact CA-O 2.98Å; D356-Y557 PolarHBondContact N-O 3.29Å; D356-Y557 VanDerWaalsContact N-O 3.08Å; A555-Y557 PolarHBondContact O-N 3.34Å; Y557-M577 HydrophobicContact CD2-CE 3.83Å; Y557-M577 HydrophobicContact CD2-SD 3.67Å; Y557-M577 HydrophobicContact CE2-CE 4.49Å; Y557-M577 HydrophobicContact CE2-SD 3.88Å; Y557-M577 HydrophobicContact CG-CE 4.08Å; Y557-M577 HydrophobicContact CG-SD 4.49Å; Y557-M580 HydrophobicContact CD1-CB 4.31Å; Y557-M580 HydrophobicContact CD1-CE 3.75Å; Y557-M580 HydrophobicContact CD1-CG 4.33Å; Y557-M580 HydrophobicContact CE1-CB 3.77Å; Y557-M580 HydrophobicContact CE1-CE 3.88Å; Y557-M580 HydrophobicContact CE1-CG 4.15Å; Y557-M580 HydrophobicContact CE1-SD 4.35Å; Y557-M580 HydrophobicContact CE2-CB 4.25Å; Y557-M580 PolarHBondContact OH-O 2.87Å; Y557-M581 HydrophobicContact CE2-CG 4.47Å; Y557-F637 CarbonylContact C-O 3.55Å; Y557-F637 VanDerWaalsContact CA-O 3.22Å; Y557-F637 WeakPolarHBondContact CA-O 3.24Å; Y557-R638 HydrophobicContact CD1-CB 4.37Å; Y557-R638 HydrophobicContact CE1-CB 4.29Å; Y557-R638 HydrophobicContact CE1-CG 4.29Å; Y557-R638 PolarHBondContact OH-NH1 3.18Å; Y557-R638 PolarHBondContact OH-NH2 3.3Å
558	L	96.7	Very high	92.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	114	-175.3	-64.2	-179.5	0	0	0	109.7	D356 F358 I546 V636 F637 R639 L642	D356-L558 HydrophobicContact CB-CD2 3.64Å; D356-L558 CarbonylContact O-C 3.55Å; D356-L558 WeakPolarHBondContact O-CA 3.48Å; D356-L558 WeakPolarHBondContact OD2-CD2 3.47Å; F358-L558 HydrophobicContact CE1-CD2 3.93Å; F358-L558 HydrophobicContact CE2-CD1 4.01Å; F358-L558 HydrophobicContact CE2-CD2 4.1Å; F358-L558 HydrophobicContact CE2-CG 4.5Å; F358-L558 HydrophobicContact CZ-CD1 4.14Å; F358-L558 HydrophobicContact CZ-CD2 3.55Å; F358-L558 HydrophobicContact CZ-CG 4.38Å; I546-L558 HydrophobicContact CG1-CD1 4.1Å; I546-L558 HydrophobicContact CG2-CD1 4.36Å; L558-V636 CarbonylContact O-C 3.57Å; L558-V636 WeakPolarHBondContact O-CA 3.47Å; L558-F637 HydrophobicContact CB-CB 4.42Å; L558-F637 PolarHBondContact N-O 2.68Å; L558-F637 PolarHBondContact O-N 2.61Å; L558-R639 HydrophobicContact CD1-CB 4.42Å; L558-L642 HydrophobicContact CD1-CD1 3.92Å
559	L	97.1	Very high	92.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.7	172.5	169.1	57.6	0	0	0	109.7	V355 D356 V357 F358 V561 I567 L573 C635 V636 F809	V355-L559 HydrophobicContact CG1-CB 4.3Å; D356-L559 PolarHBondContact O-N 3.14Å; V357-L559 CarbonylContact C-O 3.45Å; V357-L559 WeakPolarHBondContact CA-O 3.48Å; V357-L559 HydrophobicContact CG1-CB 4.26Å; V357-L559 HydrophobicContact CG1-CD2 3.87Å; V357-L559 HydrophobicContact CG1-CG 4Å; V357-L559 HydrophobicContact CG2-CB 4.24Å; V357-L559 HydrophobicContact CG2-CD2 4.12Å; F358-L559 PolarHBondContact N-O 3.31Å; L559-V561 HydrophobicContact CD1-CG2 4.09Å; L559-V561 HydrophobicContact CD2-CG2 3.97Å; L559-V561 HydrophobicContact CG-CG2 3.72Å; L559-I567 HydrophobicContact CD2-CD1 4.36Å; L559-L573 HydrophobicContact CD2-CD2 3.73Å; L559-C635 WeakPolarHBondContact CA-O 3.35Å; L559-V636 HydrophobicContact CB-CG2 4.14Å; L559-V636 HydrophobicContact CD1-CG2 3.82Å; L559-V636 HydrophobicContact CG-CG2 4.42Å; L559-F809 HydrophobicContact CD1-CE1 4.12Å; L559-F809 HydrophobicContact CD1-CE2 4.45Å; L559-F809 HydrophobicContact CD1-CZ 3.61Å; L559-F809 HydrophobicContact CD2-CE1 4.02Å; L559-F809 HydrophobicContact CD2-CZ 3.82Å; L559-F809 HydrophobicContact CG-CZ 4.35Å
560	N	95.8	Very high	92.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.6	166.8	-169.7	50.5	0	0	0	112.6	F358 M542 Y630 G632 G634 C635 F637 W777	F358-N560 PolarHBondContact O-OD1 3.33Å; M542-N560 HydrophobicContact CE-CB 3.79Å; M542-N560 WeakPolarHBondContact CE-OD1 3.35Å; M542-N560 PolarHBondContact SD-OD1 2.93Å; N560-Y630 PolarHBondContact ND2-OH 2.9Å; N560-G632 PolarHBondContact ND2-O 3.18Å; N560-G634 PolarHBondContact O-N 3.33Å; N560-C635 PolarHBondContact N-O 3.3Å; N560-C635 PolarHBondContact O-N 3.15Å; N560-F637 HydrophobicContact CB-CE2 4.48Å; N560-W777 HydrophobicContact CB-CZ2 4.48Å
561	V	93.9	Very high	92.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.7	175.2	-158.6	0	0	0	0	109.9	V357 F358 V359 L559 H565 F809	V357-V561 HydrophobicContact CG1-CG2 3.86Å; F358-V561 PolarHBondContact O-N 3.01Å; V359-V561 WeakPolarHBondContact CA-O 3.42Å; L559-V561 HydrophobicContact CD1-CG2 4.09Å; L559-V561 HydrophobicContact CD2-CG2 3.97Å; L559-V561 HydrophobicContact CG-CG2 3.72Å; V561-H565 HydrophobicContact CG1-CB 3.79Å; V561-H565 WeakPolarHBondContact CG1-O 3.48Å; V561-F809 HydrophobicContact CG1-CD1 4.21Å; V561-F809 HydrophobicContact CG1-CE1 4.4Å; V561-F809 HydrophobicContact CG2-CE1 4Å
562	D	91.9	Very high	92.7	Very high	30 Å²	30	8.7 Å²	8.7	16%	0.16	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	151	172.3	-68.7	2.3	0	0	0	110.2	K538 D564 H565 T633	K538-D562 WeakPolarHBondContact CE-OD1 3.29Å; K538-D562 VanDerWaalsContact NZ-CG 3.34Å; K538-D562 IonicContact NZ-OD1 2.7Å; K538-D562 PolarHBondContact NZ-OD1 3.21Å; K538-D562 IonicContact NZ-OD2 3.14Å; K538-D562 PolarHBondContact NZ-OD2 3.42Å; D562-D564 WeakPolarHBondContact CB-OD1 3.46Å; D562-D564 PolarHBondContact O-N 3.27Å; D562-D564 VanDerWaalsContact O-N 3.08Å; D562-H565 PolarHBondContact O-N 2.67Å; D562-T633 HydrophobicContact CB-CG2 4.46Å; D562-T633 PolarHBondContact N-OG1 3.25Å; D562-T633 VanDerWaalsContact N-OG1 3.08Å
563	C	89.8	Confident	93	Very high	6 Å²	6	8.8 Å²	8.8	4%	0.041	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27	-175.9	62.3	0	0	0	0	114.2	V359 T375 H565	V359-C563 HydrophobicContact CG1-CB 4.2Å; T375-C563 WeakPolarHBondContact CB-O 3.41Å; T375-C563 PolarHBondContact OG1-O 3.11Å; C563-H565 VanDerWaalsContact C-N 3.34Å
564	D	87	Confident	93.2	Very high	8 Å²	8	7.9 Å²	7.9	4%	0.043	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	0.5	176.3	76.7	-54.1	0	0	0	114.4	D562 G811 S812 K964	D562-D564 WeakPolarHBondContact CB-OD1 3.46Å; D562-D564 PolarHBondContact O-N 3.27Å; D562-D564 VanDerWaalsContact O-N 3.08Å; D564-G811 WeakPolarHBondContact O-CA 3.23Å; D564-S812 PolarHBondContact O-N 3.43Å; D564-K964 HydrophobicContact CB-CD 3.96Å; D564-K964 IonicContact OD1-NZ 3.76Å; D564-K964 PolarHBondContact OD1-NZ 3.15Å; D564-K964 VanDerWaalsContact OD1-NZ 3.07Å; D564-K964 WeakPolarHBondContact OD2-CD 3.49Å; D564-K964 WeakPolarHBondContact OD2-CE 3.33Å; D564-K964 IonicContact OD2-NZ 2.79Å; D564-K964 PolarHBondContact OD2-NZ 3.31Å
565	H	91.4	Very high	93.3	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.019	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.4	-179.6	-75.7	72.8	0	0	0	111.4	T375 V561 D562 C563 F598 K810	T375-H565 WeakPolarHBondContact CG2-O 3.3Å; T375-H565 PolarHBondContact OG1-O 3.5Å; V561-H565 HydrophobicContact CG1-CB 3.79Å; V561-H565 WeakPolarHBondContact CG1-O 3.48Å; D562-H565 PolarHBondContact O-N 2.67Å; C563-H565 VanDerWaalsContact C-N 3.34Å; H565-F598 AromaticContact CE1-CE1 3.75Å; H565-F598 AromaticContact NE2-CE1 3.5Å; H565-F598 WeakPolarHBondContact NE2-CE1 3.47Å; H565-K810 CarbonylContact C-O 3.54Å; H565-K810 VanDerWaalsContact CA-O 3.24Å; H565-K810 WeakPolarHBondContact CA-O 3.32Å
566	Y	92.8	Very high	93.4	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.008	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	159	179.4	69.8	-88	0	0	0	112.1	P427 A429 W432 N568 D599 F809 K810	P427-Y566 HydrophobicContact CB-CE2 3.72Å; A429-Y566 HydrophobicContact CB-CD2 3.66Å; A429-Y566 HydrophobicContact CB-CE2 4.25Å; A429-Y566 HydrophobicContact CB-CG 3.85Å; W432-Y566 HydrophobicContact CB-CE1 4.41Å; W432-Y566 HydrophobicContact CB-CE2 4.39Å; W432-Y566 AromaticContact CD1-CD1 3.45Å; W432-Y566 VanDerWaalsContact CD1-CD1 3.45Å; W432-Y566 AromaticContact CD1-CE1 3.18Å; W432-Y566 AromaticContact CD1-CZ 3.56Å; W432-Y566 HydrophobicContact CD2-CE1 4.28Å; W432-Y566 HydrophobicContact CG-CD1 4.4Å; W432-Y566 AromaticContact CG-CE1 3.73Å; W432-Y566 HydrophobicContact CG-CE1 3.73Å; W432-Y566 HydrophobicContact CG-CE2 4.5Å; W432-Y566 AromaticContact CG-CZ 3.77Å; W432-Y566 AromaticContact NE1-CD1 3.6Å; W432-Y566 AromaticContact NE1-CE1 3.43Å; Y566-N568 HydrophobicContact CD2-CB 4.35Å; Y566-N568 HydrophobicContact CE2-CB 3.86Å; Y566-N568 PolarHBondContact O-N 3.24Å; Y566-D599 PolarHBondContact OH-OD2 2.93Å; Y566-F809 WeakPolarHBondContact O-CA 3.23Å; Y566-K810 HydrophobicContact CD1-CB 4.28Å; Y566-K810 VanDerWaalsContact CD1-O 3.24Å; Y566-K810 WeakPolarHBondContact CD1-O 3.41Å; Y566-K810 HydrophobicContact CE1-CB 3.61Å; Y566-K810 HydrophobicContact CE2-CB 4.16Å; Y566-K810 HydrophobicContact CE2-CD 4.46Å; Y566-K810 PolarHBondContact N-O 2.98Å; Y566-K810 PolarHBondContact O-N 2.91Å; Y566-K810 VanDerWaalsContact O-N 3.12Å; Y566-K810 WeakPolarHBondContact OH-CD 3.44Å
567	I	93.8	Very high	93.4	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	112	174.7	-60.8	-175.5	0	0	0	109.4	S378 I379 V382 L559 N569 F809	S378-I567 PolarHBondContact OG-N 3.37Å; I379-I567 HydrophobicContact CG1-CD1 3.87Å; I379-I567 HydrophobicContact CG1-CG1 4.21Å; V382-I567 HydrophobicContact CG1-CD1 3.62Å; V382-I567 HydrophobicContact CG1-CG2 4.28Å; L559-I567 HydrophobicContact CD2-CD1 4.36Å; I567-N569 VanDerWaalsContact CG2-O 3.23Å; I567-N569 WeakPolarHBondContact CG2-O 3.4Å; I567-F809 HydrophobicContact CD1-CE1 4.27Å; I567-F809 HydrophobicContact CG1-CD1 4.14Å; I567-F809 HydrophobicContact CG1-CE1 3.75Å
568	N	92.4	Very high	93.3	Very high	13 Å²	13	7.7 Å²	7.7	7%	0.07	4%	0.038	C	C	.	.			trans	-93.5	-42.8	-178.5	173.6	59.7	0	0	0	111.7	Y566 L806 A807 A808 K810	Y566-N568 HydrophobicContact CD2-CB 4.35Å; Y566-N568 HydrophobicContact CE2-CB 3.86Å; Y566-N568 PolarHBondContact O-N 3.24Å; N568-L806 WeakPolarHBondContact ND2-CD2 3.32Å; N568-A807 WeakPolarHBondContact CB-O 3.43Å; N568-A807 PolarHBondContact ND2-O 3.35Å; N568-A808 PolarHBondContact N-O 3.05Å; N568-K810 HydrophobicContact CB-CB 4.22Å; N568-K810 HydrophobicContact CB-CD 3.95Å; N568-K810 HydrophobicContact CB-CG 3.95Å
569	N	90.3	Very high	93.1	Very high	9 Å²	9	7.8 Å²	7.8	5%	0.048	4%	0.038	C	C	.	.	S	Bend	trans	-95.8	113.8	169.1	-179.3	-0.2	0	0	0	109.6	I567 K571 A572 E575 L806 A808	I567-N569 VanDerWaalsContact CG2-O 3.23Å; I567-N569 WeakPolarHBondContact CG2-O 3.4Å; N569-K571 PolarHBondContact O-N 3.12Å; N569-K571 VanDerWaalsContact O-N 3.11Å; N569-K571 WeakPolarHBondContact OD1-CB 3.38Å; N569-K571 PolarHBondContact OD1-N 2.96Å; N569-A572 WeakPolarHBondContact O-CB 3.5Å; N569-A572 PolarHBondContact O-N 2.79Å; N569-E575 PolarHBondContact ND2-OE1 2.87Å; N569-E575 PolarHBondContact ND2-OE2 3.29Å; N569-L806 HydrophobicContact CB-CD2 3.66Å; N569-A808 PolarHBondContact N-O 3.48Å
570	S	92.3	Very high	92.9	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.021	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.6	-179.3	54.9	0	0	0	0	114.8	D383 E426 R428	D383-S570 PolarHBondContact N-O 3.02Å; E426-S570 WeakPolarHBondContact OE1-CB 3.31Å; E426-S570 PolarHBondContact OE1-N 3.03Å; E426-S570 PolarHBondContact OE1-OG 2.67Å; R428-S570 PolarHBondContact NE-OG 3.33Å; R428-S570 PolarHBondContact NH2-OG 3.15Å
571	K	92.1	Very high	92.6	Very high	54 Å²	54	8.9 Å²	8.9	24%	0.235	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1	179.2	-58	175.2	-177.8	177	0	113.2	Y212 L336 N569 L573 R574 E575	Y212-K571 HydrophobicContact CD1-CD 4.35Å; Y212-K571 PolarHBondContact O-NZ 3.41Å; L336-K571 HydrophobicContact CD1-CB 3.89Å; L336-K571 HydrophobicContact CD1-CD 3.83Å; L336-K571 HydrophobicContact CD1-CG 4.28Å; N569-K571 PolarHBondContact O-N 3.12Å; N569-K571 VanDerWaalsContact O-N 3.11Å; N569-K571 WeakPolarHBondContact OD1-CB 3.38Å; N569-K571 PolarHBondContact OD1-N 2.96Å; K571-L573 VanDerWaalsContact C-N 3.29Å; K571-L573 PolarHBondContact O-N 3.24Å; K571-R574 WeakPolarHBondContact O-CA 3.34Å; K571-R574 WeakPolarHBondContact O-CB 3.17Å; K571-R574 PolarHBondContact O-N 3.1Å; K571-E575 WeakPolarHBondContact O-CG 3.32Å; K571-E575 PolarHBondContact O-N 3.37Å
572	A	93.8	Very high	92.4	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.017	5%	0.048	C	C	.	.	H	α-helix	trans	-54.1	-38.9	-176.1	0	0	0	0	0	114	N569 E575 A576 F594 A808	N569-A572 WeakPolarHBondContact O-CB 3.5Å; N569-A572 PolarHBondContact O-N 2.79Å; A572-E575 PolarHBondContact O-N 2.97Å; A572-A576 PolarHBondContact O-N 3.45Å; A572-F594 WeakPolarHBondContact O-CZ 3.26Å; A572-A808 HydrophobicContact CB-CB 3.81Å
573	L	94.9	Very high	92	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-64.1	-45.1	175.3	-67.2	-177.6	0	0	0	111.9	V355 V382 Y384 V389 L559 K571 E575 A576 M577	V355-L573 HydrophobicContact CG1-CD2 4.16Å; V382-L573 HydrophobicContact CB-CD1 4.21Å; V382-L573 HydrophobicContact CG1-CD1 4.31Å; V382-L573 HydrophobicContact CG2-CD1 3.86Å; Y384-L573 HydrophobicContact CD2-CB 3.9Å; Y384-L573 HydrophobicContact CE2-CB 4.22Å; Y384-L573 HydrophobicContact CG-CB 4.41Å; Y384-L573 HydrophobicContact CG-CD1 4.25Å; V389-L573 HydrophobicContact CG2-CD1 4.17Å; L559-L573 HydrophobicContact CD2-CD2 3.73Å; K571-L573 VanDerWaalsContact C-N 3.29Å; K571-L573 PolarHBondContact O-N 3.24Å; L573-E575 VanDerWaalsContact C-N 3.33Å; L573-E575 PolarHBondContact O-N 3.13Å; L573-A576 PolarHBondContact O-N 3.04Å; L573-M577 WeakPolarHBondContact O-CG 3.39Å; L573-M577 PolarHBondContact O-N 2.98Å
574	R	94.7	Very high	91.6	Very high	10 Å²	10	19.6 Å²	19.6	4%	0.038	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-41.3	175.9	-56.3	179	166.1	-75.5	-3.2	111.2	L336 L339 E344 D383 Y384 K571 A576 M577 C578	L336-R574 HydrophobicContact CD2-CB 3.64Å; L339-R574 HydrophobicContact CD2-CB 4.08Å; L339-R574 WeakPolarHBondContact CD2-O 3.37Å; E344-R574 IonicContact OE1-CZ 3.95Å; E344-R574 VanDerWaalsContact OE1-CZ 3.3Å; E344-R574 IonicContact OE1-NH1 2.66Å; E344-R574 PolarHBondContact OE1-NH1 2.97Å; E344-R574 IonicContact OE1-NH2 3.21Å; E344-R574 PolarHBondContact OE1-NH2 3.46Å; E344-R574 IonicContact OE2-CZ 3.66Å; E344-R574 IonicContact OE2-NH1 3.39Å; E344-R574 PolarHBondContact OE2-NH1 2.73Å; E344-R574 IonicContact OE2-NH2 2.7Å; D383-R574 WeakPolarHBondContact O-CG 3.4Å; D383-R574 PolarHBondContact O-NE 3.25Å; D383-R574 IonicContact OD1-CZ 3.06Å; D383-R574 VanDerWaalsContact OD1-CZ 3.25Å; D383-R574 IonicContact OD1-NE 2.75Å; D383-R574 PolarHBondContact OD1-NE 2.8Å; D383-R574 IonicContact OD1-NH2 2.67Å; D383-R574 PolarHBondContact OD1-NH2 2.93Å; D383-R574 IonicContact OD2-NE 2.59Å; D383-R574 PolarHBondContact OD2-NE 2.83Å; D383-R574 VanDerWaalsContact OD2-NE 3.13Å; Y384-R574 HydrophobicContact CD2-CG 4.02Å; Y384-R574 HydrophobicContact CE2-CG 4.44Å; K571-R574 WeakPolarHBondContact O-CA 3.34Å; K571-R574 WeakPolarHBondContact O-CB 3.17Å; K571-R574 PolarHBondContact O-N 3.1Å; R574-A576 VanDerWaalsContact C-N 3.34Å; R574-A576 PolarHBondContact O-N 3.46Å; R574-M577 PolarHBondContact O-N 2.98Å; R574-C578 PolarHBondContact O-N 3.29Å; R574-C578 VanDerWaalsContact O-N 3.08Å
575	E	94.2	Very high	91.3	Very high	18 Å²	18	21.4 Å²	21.4	8%	0.084	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-38.1	176.2	-67.9	174.9	159	0	0	112.2	T334 L336 N569 K571 A572 L573 C578 F579 F594 P804	T334-E575 HydrophobicContact CG2-CB 4.39Å; L336-E575 HydrophobicContact CD1-CG 4.26Å; L336-E575 HydrophobicContact CD2-CG 3.82Å; L336-E575 HydrophobicContact CG-CG 4.37Å; N569-E575 PolarHBondContact ND2-OE1 2.87Å; N569-E575 PolarHBondContact ND2-OE2 3.29Å; K571-E575 WeakPolarHBondContact O-CG 3.32Å; K571-E575 PolarHBondContact O-N 3.37Å; A572-E575 PolarHBondContact O-N 2.97Å; L573-E575 VanDerWaalsContact C-N 3.33Å; L573-E575 PolarHBondContact O-N 3.13Å; E575-C578 WeakPolarHBondContact O-CB 3.22Å; E575-C578 PolarHBondContact O-N 3.46Å; E575-F579 VanDerWaalsContact O-CD2 3.3Å; E575-F579 WeakPolarHBondContact O-CD2 3.42Å; E575-F594 HydrophobicContact CB-CE1 4.46Å; E575-F594 HydrophobicContact CB-CZ 4.46Å; E575-P804 VanDerWaalsContact OE2-CB 3.3Å; E575-P804 WeakPolarHBondContact OE2-CB 3.41Å; E575-P804 WeakPolarHBondContact OE2-CG 3.44Å
576	A	95.3	Very high	91	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-40.7	172.1	0	0	0	0	0	112.4	A572 L573 R574 C578 F579 M580 V592 F594 V636	A572-A576 PolarHBondContact O-N 3.45Å; L573-A576 PolarHBondContact O-N 3.04Å; R574-A576 VanDerWaalsContact C-N 3.34Å; R574-A576 PolarHBondContact O-N 3.46Å; A576-C578 VanDerWaalsContact C-N 3.33Å; A576-C578 PolarHBondContact O-N 2.71Å; A576-F579 PolarHBondContact O-N 3.38Å; A576-M580 PolarHBondContact O-N 3.43Å; A576-V592 HydrophobicContact CB-CB 4.44Å; A576-F594 HydrophobicContact CB-CE2 4.15Å; A576-F594 HydrophobicContact CB-CZ 4.14Å; A576-V636 HydrophobicContact CB-CB 4.09Å; A576-V636 HydrophobicContact CB-CG1 4.29Å; A576-V636 HydrophobicContact CB-CG2 3.73Å
577	M	94.6	Very high	90.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-32.5	177.8	-68.6	-48.9	113.1	0	0	113.4	L339 V355 Y384 Y557 L573 R574 F579 M580 M581 V636	L339-M577 HydrophobicContact CD1-CB 4.14Å; L339-M577 HydrophobicContact CD2-CB 3.93Å; V355-M577 HydrophobicContact CG2-CE 3.78Å; Y384-M577 HydrophobicContact CE2-CG 4.05Å; Y384-M577 VanDerWaalsContact OH-CG 3.27Å; Y384-M577 WeakPolarHBondContact OH-CG 3.3Å; Y557-M577 HydrophobicContact CD2-CE 3.83Å; Y557-M577 HydrophobicContact CD2-SD 3.67Å; Y557-M577 HydrophobicContact CE2-CE 4.49Å; Y557-M577 HydrophobicContact CE2-SD 3.88Å; Y557-M577 HydrophobicContact CG-CE 4.08Å; Y557-M577 HydrophobicContact CG-SD 4.49Å; L573-M577 WeakPolarHBondContact O-CG 3.39Å; L573-M577 PolarHBondContact O-N 2.98Å; R574-M577 PolarHBondContact O-N 2.98Å; M577-F579 PolarHBondContact O-N 2.91Å; M577-M580 HydrophobicContact CE-CB 4.49Å; M577-M580 PolarHBondContact O-N 3.06Å; M577-M580 HydrophobicContact SD-CB 4.38Å; M577-M581 HydrophobicContact CB-CG 4.17Å; M577-M581 HydrophobicContact CB-SD 3.88Å; M577-M581 HydrophobicContact CG-CG 4.47Å; M577-M581 HydrophobicContact CG-SD 4Å; M577-M581 WeakPolarHBondContact O-CB 3.32Å; M577-M581 PolarHBondContact O-N 3.4Å; M577-M581 HydrophobicContact SD-CG 3.94Å; M577-M581 HydrophobicContact SD-SD 3.96Å; M577-V636 HydrophobicContact CE-CG1 4.13Å
578	C	93.7	Very high	90.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.7	-16.9	170.8	-73.7	0	0	0	0	114.5	L261 S262 T334 R574 E575 A576	L261-C578 HydrophobicContact CB-CB 4.35Å; L261-C578 WeakPolarHBondContact CB-O 3.44Å; S262-C578 PolarHBondContact OG-O 2.7Å; T334-C578 HydrophobicContact CG2-CB 3.79Å; R574-C578 PolarHBondContact O-N 3.29Å; R574-C578 VanDerWaalsContact O-N 3.08Å; E575-C578 WeakPolarHBondContact O-CB 3.22Å; E575-C578 PolarHBondContact O-N 3.46Å; A576-C578 VanDerWaalsContact C-N 3.33Å; A576-C578 PolarHBondContact O-N 2.71Å
579	F	94	Very high	90.7	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-101.6	-50.9	168.6	-57.5	-70.2	0	0	0	111.8	S262 R332 T334 E575 A576 M577 M581 D582 G586 I589 V592 V800 C802	S262-F579 VanDerWaalsContact OG-CD1 3.23Å; S262-F579 WeakPolarHBondContact OG-CD1 3.23Å; S262-F579 WeakPolarHBondContact OG-CE1 3.42Å; R332-F579 HydrophobicContact CB-CE1 4.39Å; R332-F579 HydrophobicContact CB-CZ 4.21Å; T334-F579 HydrophobicContact CG2-CD2 4.22Å; T334-F579 HydrophobicContact CG2-CE1 4.33Å; T334-F579 HydrophobicContact CG2-CE2 3.38Å; T334-F579 HydrophobicContact CG2-CZ 3.45Å; T334-F579 VanDerWaalsContact CG2-CZ 3.45Å; E575-F579 VanDerWaalsContact O-CD2 3.3Å; E575-F579 WeakPolarHBondContact O-CD2 3.42Å; A576-F579 PolarHBondContact O-N 3.38Å; M577-F579 PolarHBondContact O-N 2.91Å; F579-M581 PolarHBondContact O-N 2.9Å; F579-D582 PolarHBondContact O-N 3.04Å; F579-G586 WeakPolarHBondContact O-CA 3.49Å; F579-I589 HydrophobicContact CB-CD1 3.79Å; F579-I589 WeakPolarHBondContact O-CD1 3.42Å; F579-V592 HydrophobicContact CB-CG2 3.98Å; F579-V592 HydrophobicContact CD2-CG1 4.05Å; F579-V592 HydrophobicContact CD2-CG2 4.25Å; F579-V592 HydrophobicContact CE2-CG1 4.48Å; F579-V592 HydrophobicContact CG-CG2 4.48Å; F579-V800 HydrophobicContact CD1-CG1 3.87Å; F579-V800 HydrophobicContact CD2-CG1 4.09Å; F579-V800 HydrophobicContact CE1-CG1 3.94Å; F579-V800 HydrophobicContact CE2-CG1 4.16Å; F579-V800 HydrophobicContact CG-CG1 3.93Å; F579-V800 HydrophobicContact CZ-CG1 4.09Å; F579-C802 HydrophobicContact CE2-CB 3.84Å; F579-C802 HydrophobicContact CZ-CB 4.49Å
580	M	92.7	Very high	90.9	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-32	-170.8	-67.2	-59.8	-116	0	0	114.1	Y557 A576 M577 I589 V592 V636 R638	Y557-M580 HydrophobicContact CD1-CB 4.31Å; Y557-M580 HydrophobicContact CD1-CE 3.75Å; Y557-M580 HydrophobicContact CD1-CG 4.33Å; Y557-M580 HydrophobicContact CE1-CB 3.77Å; Y557-M580 HydrophobicContact CE1-CE 3.88Å; Y557-M580 HydrophobicContact CE1-CG 4.15Å; Y557-M580 HydrophobicContact CE1-SD 4.35Å; Y557-M580 HydrophobicContact CE2-CB 4.25Å; Y557-M580 PolarHBondContact OH-O 2.87Å; A576-M580 PolarHBondContact O-N 3.43Å; M577-M580 HydrophobicContact CE-CB 4.49Å; M577-M580 PolarHBondContact O-N 3.06Å; M577-M580 HydrophobicContact SD-CB 4.38Å; M580-I589 HydrophobicContact CE-CG2 4.4Å; M580-I589 HydrophobicContact SD-CB 3.72Å; M580-I589 HydrophobicContact SD-CG2 3.43Å; M580-I589 WeakPolarHBondContact SD-CG2 3.4Å; M580-V592 HydrophobicContact CG-CG2 3.9Å; M580-V592 HydrophobicContact SD-CG2 3.98Å; M580-V636 WeakPolarHBondContact CE-O 3.34Å; M580-R638 HydrophobicContact CE-CB 3.89Å; M580-R638 PolarHBondContact O-NH2 2.89Å; M580-R638 VanDerWaalsContact O-NH2 3.08Å
581	M	90	Very high	91.1	Very high	20 Å²	20	29.6 Å²	29.6	10%	0.099	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.8	179.9	-61	-177.5	70.2	0	0	113.8	Y343 G351 L352 Y557 M577 F579 P583	Y343-M581 HydrophobicContact CD1-CE 3.56Å; Y343-M581 HydrophobicContact CD2-CE 4.04Å; Y343-M581 HydrophobicContact CE1-CE 3.56Å; Y343-M581 HydrophobicContact CE2-CB 4.25Å; Y343-M581 HydrophobicContact CE2-CE 4.04Å; Y343-M581 HydrophobicContact CG-CE 3.82Å; Y343-M581 PolarHBondContact OH-O 3.39Å; G351-M581 VanDerWaalsContact O-CE 3.28Å; G351-M581 WeakPolarHBondContact O-CE 3.43Å; L352-M581 HydrophobicContact CD2-CE 4.48Å; L352-M581 HydrophobicContact CD2-SD 3.94Å; Y557-M581 HydrophobicContact CE2-CG 4.47Å; M577-M581 HydrophobicContact CB-CG 4.17Å; M577-M581 HydrophobicContact CB-SD 3.88Å; M577-M581 HydrophobicContact CG-CG 4.47Å; M577-M581 HydrophobicContact CG-SD 4Å; M577-M581 WeakPolarHBondContact O-CB 3.32Å; M577-M581 PolarHBondContact O-N 3.4Å; M577-M581 HydrophobicContact SD-CG 3.94Å; M577-M581 HydrophobicContact SD-SD 3.96Å; F579-M581 PolarHBondContact O-N 2.9Å; M581-P583 VanDerWaalsContact O-CD 3.28Å; M581-P583 WeakPolarHBondContact O-CD 3.36Å
582	D	88.9	Confident	91.3	Very high	17 Å²	17	27 Å²	27	9%	0.091	14%	0.136	C	C	.	.			trans	-62	119.4	176.9	168.8	42	0	0	0	111.2	L261 F579 Q584 S585 G586	L261-D582 HydrophobicContact CD1-CB 4.49Å; F579-D582 PolarHBondContact O-N 3.04Å; D582-Q584 PolarHBondContact O-N 3.04Å; D582-Q584 VanDerWaalsContact O-N 3.12Å; D582-Q584 PolarHBondContact OD1-N 3.03Å; D582-S585 WeakPolarHBondContact OD2-CA 3.34Å; D582-S585 VanDerWaalsContact OD2-CB 3.22Å; D582-S585 WeakPolarHBondContact OD2-CB 3.26Å; D582-S585 PolarHBondContact OD2-N 3.32Å; D582-S585 PolarHBondContact OD2-OG 3.49Å; D582-G586 VanDerWaalsContact O-CA 3.28Å; D582-G586 WeakPolarHBondContact O-CA 3.16Å; D582-G586 PolarHBondContact O-N 2.88Å
583	P	83.6	Confident	91.5	Very high	74 Å²	74	27 Å²	27	48%	0.481	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.5	-176.9	-26.5	35.8	0	0	0	114.5	M581	M581-P583 VanDerWaalsContact O-CD 3.28Å; M581-P583 WeakPolarHBondContact O-CD 3.36Å
584	Q	80.9	Confident	91.5	Very high	170 Å²	170	27 Å²	27	79%	0.794	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-46.4	-175.5	-60.4	-169.8	12.2	0	0	113.4	D582	D582-Q584 PolarHBondContact O-N 3.04Å; D582-Q584 VanDerWaalsContact O-N 3.12Å; D582-Q584 PolarHBondContact OD1-N 3.03Å
585	S	81.1	Confident	91.4	Very high	47 Å²	47	26.7 Å²	26.7	33%	0.329	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-31.3	-174.7	74.2	0	0	0	0	114.2	D582 K587 K588	D582-S585 WeakPolarHBondContact OD2-CA 3.34Å; D582-S585 VanDerWaalsContact OD2-CB 3.22Å; D582-S585 WeakPolarHBondContact OD2-CB 3.26Å; D582-S585 PolarHBondContact OD2-N 3.32Å; D582-S585 PolarHBondContact OD2-OG 3.49Å; S585-K587 VanDerWaalsContact C-N 3.3Å; S585-K587 PolarHBondContact O-N 3.36Å; S585-K588 PolarHBondContact O-N 2.86Å
586	G	85.8	Confident	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-57.4	-36.6	-173.6	0	0	0	0	0	114.5	F579 D582 K588 I589 R638	F579-G586 WeakPolarHBondContact O-CA 3.49Å; D582-G586 VanDerWaalsContact O-CA 3.28Å; D582-G586 WeakPolarHBondContact O-CA 3.16Å; D582-G586 PolarHBondContact O-N 2.88Å; G586-K588 PolarHBondContact O-N 3.23Å; G586-I589 PolarHBondContact O-N 3.32Å; G586-R638 PolarHBondContact O-NH2 3.08Å
587	K	86.4	Confident	90.8	Very high	146 Å²	146	30.1 Å²	30.1	64%	0.635	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-59.1	-14.7	175.9	-60.3	-161.2	178.9	-159.7	0	114.4	S585 P648	S585-K587 VanDerWaalsContact C-N 3.3Å; S585-K587 PolarHBondContact O-N 3.36Å; K587-P648 WeakPolarHBondContact O-CD 3.48Å; K587-P648 WeakPolarHBondContact O-CG 3.41Å
588	K	90.3	Very high	90.4	Very high	56 Å²	56	31.9 Å²	31.9	24%	0.243	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-106.6	-0	176.6	-61.5	-160.3	135	-64.9	0	114.2	S585 G586 P648 R798	S585-K588 PolarHBondContact O-N 2.86Å; G586-K588 PolarHBondContact O-N 3.23Å; K588-P648 VanDerWaalsContact CE-O 3.23Å; K588-P648 WeakPolarHBondContact CE-O 3.24Å; K588-P648 PolarHBondContact NZ-O 3.32Å; K588-R798 PolarHBondContact O-N 3.41Å
589	I	94.5	Very high	89.7	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.9	-176.8	-54.2	175.5	0	0	0	109.4	F579 M580 G586 Y591 V592 R638 R798 V800	F579-I589 HydrophobicContact CB-CD1 3.79Å; F579-I589 WeakPolarHBondContact O-CD1 3.42Å; M580-I589 HydrophobicContact CE-CG2 4.4Å; M580-I589 HydrophobicContact SD-CB 3.72Å; M580-I589 HydrophobicContact SD-CG2 3.43Å; M580-I589 WeakPolarHBondContact SD-CG2 3.4Å; G586-I589 PolarHBondContact O-N 3.32Å; I589-Y591 WeakPolarHBondContact CG2-O 3.39Å; I589-V592 HydrophobicContact CG2-CG2 4.32Å; I589-R638 PolarHBondContact O-NE 3.16Å; I589-R798 CarbonylContact C-O 3.57Å; I589-R798 WeakPolarHBondContact CA-O 3.26Å; I589-V800 HydrophobicContact CD1-CG2 3.6Å; I589-V800 HydrophobicContact CG1-CG2 4.02Å; I589-V800 HydrophobicContact CG2-CG2 4.03Å
590	C	94.7	Very high	88.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-39	171.2	48.3	0	0	0	0	112.4	F637 R638 A641 M792 W797 R798	C590-F637 CarbonylContact O-C 3.55Å; C590-F637 WeakPolarHBondContact O-CA 3.44Å; C590-R638 PolarHBondContact O-N 3.07Å; C590-A641 HydrophobicContact CB-CB 3.79Å; C590-M792 HydrophobicContact CB-CE 4.04Å; C590-M792 HydrophobicContact CB-SD 4.39Å; C590-W797 HydrophobicContact CB-CB 3.52Å; C590-W797 HydrophobicContact CB-CD2 3.98Å; C590-W797 HydrophobicContact CB-CE3 4.06Å; C590-W797 HydrophobicContact CB-CG 3.77Å; C590-W797 VanDerWaalsContact SG-CB 3.5Å; C590-R798 PolarHBondContact N-O 3.45Å; C590-R798 PolarHBondContact SG-O 2.74Å
591	Y	96.9	Very high	87.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	155.4	175.6	56.7	-93.2	0	0	0	114.2	I589 Q593 P628 Y630 C635 V636 F637 M792 H793 S799 V800	I589-Y591 WeakPolarHBondContact CG2-O 3.39Å; Y591-Q593 HydrophobicContact CD2-CB 4.38Å; Y591-P628 PolarHBondContact OH-O 2.83Å; Y591-P628 VanDerWaalsContact OH-O 3.06Å; Y591-Y630 PolarHBondContact OH-N 2.94Å; Y591-C635 WeakPolarHBondContact CD2-SG 3.28Å; Y591-V636 CarbonylContact C-O 3.58Å; Y591-V636 WeakPolarHBondContact CA-O 3.37Å; Y591-V636 WeakPolarHBondContact CB-O 2.98Å; Y591-F637 AromaticContact CD1-CD1 3.95Å; Y591-F637 HydrophobicContact CD1-CD1 3.95Å; Y591-F637 AromaticContact CD1-CE1 3.79Å; Y591-F637 HydrophobicContact CD1-CE1 3.79Å; Y591-F637 HydrophobicContact CE1-CE1 4.47Å; Y591-F637 HydrophobicContact CG-CD1 4.09Å; Y591-F637 AromaticContact CG-CE1 3.99Å; Y591-F637 HydrophobicContact CG-CE1 3.99Å; Y591-M792 HydrophobicContact CD1-SD 3.84Å; Y591-M792 HydrophobicContact CE1-SD 3.96Å; Y591-H793 AromaticContact CZ-NE2 3.97Å; Y591-S799 VanDerWaalsContact CZ-CB 3.44Å; Y591-S799 CarbonylContact O-C 3.54Å; Y591-S799 WeakPolarHBondContact O-CA 3.49Å; Y591-S799 WeakPolarHBondContact O-CB 3.28Å; Y591-V800 PolarHBondContact O-N 2.78Å
592	V	96.8	Very high	86.5	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.3	168.8	-175.4	0	0	0	0	108.2	A576 F579 M580 I589 F594 C635 V636 V800 C802	A576-V592 HydrophobicContact CB-CB 4.44Å; F579-V592 HydrophobicContact CB-CG2 3.98Å; F579-V592 HydrophobicContact CD2-CG1 4.05Å; F579-V592 HydrophobicContact CD2-CG2 4.25Å; F579-V592 HydrophobicContact CE2-CG1 4.48Å; F579-V592 HydrophobicContact CG-CG2 4.48Å; M580-V592 HydrophobicContact CG-CG2 3.9Å; M580-V592 HydrophobicContact SD-CG2 3.98Å; I589-V592 HydrophobicContact CG2-CG2 4.32Å; V592-F594 HydrophobicContact CG1-CD2 4.45Å; V592-F594 HydrophobicContact CG1-CE2 3.93Å; V592-F594 HydrophobicContact CG1-CZ 4.28Å; V592-C635 WeakPolarHBondContact O-CA 3.33Å; V592-V636 PolarHBondContact N-O 2.98Å; V592-V636 PolarHBondContact O-N 3.27Å; V592-V800 CarbonylContact C-O 3.56Å; V592-V800 WeakPolarHBondContact CA-O 3.24Å; V592-V800 HydrophobicContact CG1-CG1 4.43Å; V592-V800 HydrophobicContact CG2-CB 4.38Å; V592-C802 HydrophobicContact CG1-CB 3.85Å
593	Q	96.8	Very high	85.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.9	176.4	-178.6	64.5	64.9	0	0	109.6	Y591 P628 V631 T633 G634 C635 V800 Y801 C802	Y591-Q593 HydrophobicContact CD2-CB 4.38Å; Q593-P628 HydrophobicContact CB-CB 4.45Å; Q593-P628 HydrophobicContact CB-CG 3.89Å; Q593-V631 VanDerWaalsContact CD-CG2 3.46Å; Q593-V631 HydrophobicContact CG-CG2 4.15Å; Q593-T633 PolarHBondContact NE2-O 3.08Å; Q593-G634 PolarHBondContact NE2-O 3.08Å; Q593-C635 PolarHBondContact OE1-SG 3.21Å; Q593-V800 PolarHBondContact N-O 2.94Å; Q593-Y801 HydrophobicContact CB-CD2 4.46Å; Q593-Y801 HydrophobicContact CG-CD2 4.42Å; Q593-Y801 WeakPolarHBondContact O-CA 3.48Å; Q593-Y801 WeakPolarHBondContact O-CD2 3.29Å; Q593-C802 PolarHBondContact O-N 3.42Å
594	F	95.1	Very high	84.9	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-101.3	156.9	171.1	-68.3	-97.3	0	0	0	110.8	A572 E575 A576 V592 Q596 G634 V636 C802 P804 A808 F809	A572-F594 WeakPolarHBondContact O-CZ 3.26Å; E575-F594 HydrophobicContact CB-CE1 4.46Å; E575-F594 HydrophobicContact CB-CZ 4.46Å; A576-F594 HydrophobicContact CB-CE2 4.15Å; A576-F594 HydrophobicContact CB-CZ 4.14Å; V592-F594 HydrophobicContact CG1-CD2 4.45Å; V592-F594 HydrophobicContact CG1-CE2 3.93Å; V592-F594 HydrophobicContact CG1-CZ 4.28Å; F594-Q596 PolarHBondContact O-N 3.24Å; F594-G634 PolarHBondContact N-O 2.81Å; F594-V636 HydrophobicContact CE2-CG2 4.37Å; F594-C802 HydrophobicContact CD1-CB 3.94Å; F594-C802 HydrophobicContact CE1-CB 3.76Å; F594-C802 HydrophobicContact CZ-CB 4.18Å; F594-P804 HydrophobicContact CD1-CG 3.92Å; F594-P804 HydrophobicContact CE1-CG 3.8Å; F594-A808 HydrophobicContact CB-CB 4.17Å; F594-A808 HydrophobicContact CD1-CB 3.36Å; F594-A808 HydrophobicContact CE1-CB 3.84Å; F594-A808 HydrophobicContact CG-CB 3.88Å; F594-F809 HydrophobicContact CB-CD2 3.85Å; F594-F809 HydrophobicContact CB-CE2 4.05Å; F594-F809 HydrophobicContact CD2-CD2 4.42Å; F594-F809 AromaticContact CD2-CE2 3.75Å; F594-F809 HydrophobicContact CD2-CE2 3.75Å; F594-F809 HydrophobicContact CE2-CE2 4.34Å; F594-F809 HydrophobicContact CG-CD2 4.17Å; F594-F809 AromaticContact CG-CE2 3.91Å; F594-F809 HydrophobicContact CG-CE2 3.91Å
595	P	92.6	Very high	84.6	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.032	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-63.1	133.5	169.6	25.6	-34.2	0	0	0	110.4	F615 Y801 C802 T803	P595-F615 HydrophobicContact CB-CD1 4.45Å; P595-Y801 WeakPolarHBondContact CB-OH 3.39Å; P595-C802 WeakPolarHBondContact CD-O 3.49Å; P595-T803 HydrophobicContact CG-CG2 4.41Å
596	Q	88.4	Confident	84.1	Confident	21 Å²	21	42 Å²	42	10%	0.098	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-73.7	141.4	160.7	-67.5	159.9	15.6	0	0	108.4	F594 F598 F615 V631 T633	F594-Q596 PolarHBondContact O-N 3.24Å; Q596-F598 HydrophobicContact CB-CZ 4.13Å; Q596-F615 HydrophobicContact CB-CE1 4.3Å; Q596-F615 HydrophobicContact CB-CE2 4.1Å; Q596-F615 HydrophobicContact CB-CZ 3.71Å; Q596-F615 HydrophobicContact CG-CZ 4.21Å; Q596-V631 PolarHBondContact NE2-O 3.19Å; Q596-T633 HydrophobicContact CG-CG2 3.93Å; Q596-T633 PolarHBondContact NE2-O 2.76Å
597	R	90	Very high	83.5	Confident	69 Å²	69	43.1 Å²	43.1	26%	0.26	20%	0.2	S	C	.	.			trans	-138	151.8	172.3	-60.7	-66.3	176.4	159.9	-1.6	106.9	D616 A807 K810 G811	R597-D616 IonicContact CZ-OD2 3.73Å; R597-D616 VanDerWaalsContact CZ-OD2 3.29Å; R597-D616 IonicContact NH1-OD2 2.53Å; R597-D616 PolarHBondContact NH1-OD2 2.95Å; R597-D616 IonicContact NH2-OD1 3.93Å; R597-D616 PolarHBondContact NH2-OD1 3.3Å; R597-D616 IonicContact NH2-OD2 2.74Å; R597-D616 PolarHBondContact NH2-OD2 2.7Å; R597-A807 HydrophobicContact CB-CB 4.27Å; R597-A807 HydrophobicContact CG-CB 3.8Å; R597-K810 HydrophobicContact CB-CG 4.43Å; R597-K810 CarbonylContact O-C 3.54Å; R597-K810 VanDerWaalsContact O-CA 3.26Å; R597-K810 WeakPolarHBondContact O-CA 3.19Å; R597-G811 PolarHBondContact O-N 3.28Å
598	F	85.8	Confident	83.1	Confident	36 Å²	36	36.4 Å²	36.4	16%	0.158	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.9	-177.8	-50.2	-81.3	0	0	0	111.8	H565 Q596 I601 N609 G811 A813	H565-F598 AromaticContact CE1-CE1 3.75Å; H565-F598 AromaticContact NE2-CE1 3.5Å; H565-F598 WeakPolarHBondContact NE2-CE1 3.47Å; Q596-F598 HydrophobicContact CB-CZ 4.13Å; F598-I601 HydrophobicContact CB-CD1 3.99Å; F598-I601 HydrophobicContact CB-CG1 4.23Å; F598-I601 WeakPolarHBondContact O-CD1 3.49Å; F598-N609 WeakPolarHBondContact CD2-O 3.4Å; F598-G811 CarbonylContact C-O 3.58Å; F598-G811 WeakPolarHBondContact CA-O 3.41Å; F598-G811 WeakPolarHBondContact CB-O 3.29Å; F598-A813 HydrophobicContact CB-CB 3.68Å; F598-A813 HydrophobicContact CD1-CB 4.29Å; F598-A813 HydrophobicContact CD2-CB 4.45Å; F598-A813 HydrophobicContact CG-CB 3.9Å
599	D	79.2	Confident	82.6	Confident	34 Å²	34	34.3 Å²	34.3	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-179.1	166.7	-67.3	-39.3	0	0	0	110	Y566 I601 K810 G811	Y566-D599 PolarHBondContact OH-OD2 2.93Å; D599-I601 PolarHBondContact O-N 3.07Å; D599-I601 VanDerWaalsContact O-N 3.11Å; D599-K810 WeakPolarHBondContact OD1-CE 3.45Å; D599-K810 IonicContact OD1-NZ 2.62Å; D599-K810 PolarHBondContact OD1-NZ 3.49Å; D599-K810 WeakPolarHBondContact OD2-CD 3.32Å; D599-K810 IonicContact OD2-NZ 3.22Å; D599-K810 PolarHBondContact OD2-NZ 3.4Å; D599-G811 PolarHBondContact N-O 3.3Å
600	G	69.4	Low	81.9	Confident	56 Å²	56	38.4 Å²	38.4	58%	0.577	18%	0.179	S	C	*	.	S	Bend	trans	69.4	5.1	178.2	0	0	0	0	0	115.7
601	I	71.4	Confident	81.4	Confident	33 Å²	33	40 Å²	40	17%	0.169	19%	0.187	C	C	.	.			trans	-76.5	132.8	-176.5	-41.7	-178.2	0	0	0	110.8	F598 D599 D605 R610	F598-I601 HydrophobicContact CB-CD1 3.99Å; F598-I601 HydrophobicContact CB-CG1 4.23Å; F598-I601 WeakPolarHBondContact O-CD1 3.49Å; D599-I601 PolarHBondContact O-N 3.07Å; D599-I601 VanDerWaalsContact O-N 3.11Å; I601-D605 HydrophobicContact CG2-CB 3.75Å; I601-R610 HydrophobicContact CD1-CB 4.46Å; I601-R610 HydrophobicContact CD1-CG 3.35Å
602	D	68.8	Low	80.8	Confident	29 Å²	29	40.7 Å²	40.7	16%	0.155	19%	0.191	C	C	.	.			trans	-39.5	139.4	164.4	172.3	13.9	0	0	0	112	H604 D605 R606 L974	D602-H604 PolarHBondContact O-N 2.75Å; D602-H604 VanDerWaalsContact O-N 3.08Å; D602-H604 IonicContact OD1-CD2 2.89Å; D602-H604 PolarHBondContact OD1-N 3.38Å; D602-D605 PolarHBondContact O-N 3.01Å; D602-R606 WeakPolarHBondContact OD2-CD 3.3Å; D602-R606 VanDerWaalsContact OD2-CG 3.25Å; D602-R606 WeakPolarHBondContact OD2-CG 3.31Å; D602-L974 HydrophobicContact CB-CD2 4.02Å
603	R	68.9	Low	80.4	Confident	231 Å²	231	41.1 Å²	41.1	87%	0.872	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-34	172.7	-69.3	-174.7	177.9	-171.3	1.2	112.1
604	H	68.5	Low	80	Confident	119 Å²	119	43.2 Å²	43.2	55%	0.551	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-11.4	178.4	-59.9	-65.7	0	0	0	114.9	D602 R606 R927	D602-H604 PolarHBondContact O-N 2.75Å; D602-H604 VanDerWaalsContact O-N 3.08Å; D602-H604 IonicContact OD1-CD2 2.89Å; D602-H604 PolarHBondContact OD1-N 3.38Å; H604-R606 HydrophobicContact CB-CG 4.23Å; H604-R606 PolarHBondContact O-N 3.31Å; H604-R927 PolarHBondContact O-NE 2.92Å; H604-R927 PolarHBondContact O-NH1 2.63Å
605	D	76.4	Confident	79.8	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	21%	0.205	C	C	.	.			trans	38.5	62.1	-168.9	-167.4	6.2	0	0	0	113.5	I601 D602 Y607 S608 N609 R610	I601-D605 HydrophobicContact CG2-CB 3.75Å; D602-D605 PolarHBondContact O-N 3.01Å; D605-Y607 PolarHBondContact O-N 3.45Å; D605-Y607 VanDerWaalsContact O-N 3.08Å; D605-S608 PolarHBondContact O-N 3.25Å; D605-S608 WeakPolarHBondContact OD1-CA 3.47Å; D605-S608 PolarHBondContact OD1-N 3.29Å; D605-S608 VanDerWaalsContact OD1-N 3.14Å; D605-N609 PolarHBondContact OD1-N 2.66Å; D605-N609 PolarHBondContact OD2-N 3.24Å; D605-N609 VanDerWaalsContact OD2-N 3.14Å; D605-R610 WeakPolarHBondContact OD2-CB 3.34Å; D605-R610 WeakPolarHBondContact OD2-CG 3.35Å; D605-R610 PolarHBondContact OD2-N 3.1Å
606	R	70	Confident	79.7	Confident	41 Å²	41	44.3 Å²	44.3	16%	0.155	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.8	-176.1	-76.1	172.4	59.9	171	-2.5	115.5	D602 H604 K1034	D602-R606 WeakPolarHBondContact OD2-CD 3.3Å; D602-R606 VanDerWaalsContact OD2-CG 3.25Å; D602-R606 WeakPolarHBondContact OD2-CG 3.31Å; H604-R606 HydrophobicContact CB-CG 4.23Å; H604-R606 PolarHBondContact O-N 3.31Å; R606-K1034 PolarHBondContact NH2-O 2.91Å
607	Y	72.7	Confident	79.8	Confident	22 Å²	22	43.3 Å²	43.3	9%	0.086	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	12.7	-175.8	-51.9	-44.2	0	0	0	113.2	D605 N609 L817 F931	D605-Y607 PolarHBondContact O-N 3.45Å; D605-Y607 VanDerWaalsContact O-N 3.08Å; Y607-N609 PolarHBondContact O-N 3.14Å; Y607-L817 HydrophobicContact CD1-CD1 3.87Å; Y607-L817 HydrophobicContact CE1-CB 4.08Å; Y607-L817 HydrophobicContact CE1-CD1 4.11Å; Y607-L817 HydrophobicContact CE1-CD2 4.33Å; Y607-L817 HydrophobicContact CE1-CG 4.4Å; Y607-L817 HydrophobicContact CE2-CB 4.15Å; Y607-L817 HydrophobicContact CG-CD1 4.28Å; Y607-F931 WeakPolarHBondContact O-CD2 3.46Å
608	S	79	Confident	79.9	Confident	5 Å²	5	41.6 Å²	41.6	4%	0.035	20%	0.2	C	C	.	.			trans	50.7	41.2	-178.6	-153.6	0	0	0	0	113	D605 R610 N611	D605-S608 PolarHBondContact O-N 3.25Å; D605-S608 WeakPolarHBondContact OD1-CA 3.47Å; D605-S608 PolarHBondContact OD1-N 3.29Å; D605-S608 VanDerWaalsContact OD1-N 3.14Å; S608-R610 PolarHBondContact O-N 2.7Å; S608-N611 PolarHBondContact O-N 3.31Å; S608-N611 VanDerWaalsContact O-N 3.13Å
609	N	78.7	Confident	80.3	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.064	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.9	-179.5	-83.4	-11.8	0	0	0	112.2	F598 D605 Y607 N611 A813 P814 R820	F598-N609 WeakPolarHBondContact CD2-O 3.4Å; D605-N609 PolarHBondContact OD1-N 2.66Å; D605-N609 PolarHBondContact OD2-N 3.24Å; D605-N609 VanDerWaalsContact OD2-N 3.14Å; Y607-N609 PolarHBondContact O-N 3.14Å; N609-N611 PolarHBondContact O-N 2.87Å; N609-A813 HydrophobicContact CB-CB 4.1Å; N609-P814 PolarHBondContact ND2-O 3.36Å; N609-R820 WeakPolarHBondContact OD1-CD 3.41Å; N609-R820 PolarHBondContact OD1-NE 3.33Å
610	R	79.6	Confident	80.9	Confident	88 Å²	88	38.8 Å²	38.8	33%	0.332	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.2	173.5	-68.4	171.3	-176.7	160.5	7	113.9	I601 D605 S608 V612 D924	I601-R610 HydrophobicContact CD1-CB 4.46Å; I601-R610 HydrophobicContact CD1-CG 3.35Å; D605-R610 WeakPolarHBondContact OD2-CB 3.34Å; D605-R610 WeakPolarHBondContact OD2-CG 3.35Å; D605-R610 PolarHBondContact OD2-N 3.1Å; S608-R610 PolarHBondContact O-N 2.7Å; R610-V612 HydrophobicContact CB-CG2 3.52Å; R610-V612 HydrophobicContact CG-CG2 4.5Å; R610-V612 PolarHBondContact O-N 2.84Å; R610-V612 VanDerWaalsContact O-N 3.14Å; R610-D924 IonicContact NH1-OD1 3.49Å
611	N	83.8	Confident	82	Confident	33 Å²	33	36.1 Å²	36.1	18%	0.176	16%	0.159	C	C	.	.			trans	45.3	43.3	-177.1	-163.2	8.3	0	0	0	113.6	S608 N609 V613 F614 F615	S608-N611 PolarHBondContact O-N 3.31Å; S608-N611 VanDerWaalsContact O-N 3.13Å; N609-N611 PolarHBondContact O-N 2.87Å; N611-V613 VanDerWaalsContact C-N 3.29Å; N611-V613 PolarHBondContact O-N 2.79Å; N611-F614 PolarHBondContact O-N 3.47Å; N611-F614 WeakPolarHBondContact OD1-CB 3.26Å; N611-F615 HydrophobicContact CB-CD2 4.28Å; N611-F615 HydrophobicContact CB-CE2 4.27Å; N611-F615 PolarHBondContact O-N 3.03Å
612	V	85.1	Confident	83	Confident	15 Å²	15	34.8 Å²	34.8	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-36.9	-168.7	-170.6	0	0	0	0	111.7	R610 F614 F615 D616 V920 D924	R610-V612 HydrophobicContact CB-CG2 3.52Å; R610-V612 HydrophobicContact CG-CG2 4.5Å; R610-V612 PolarHBondContact O-N 2.84Å; R610-V612 VanDerWaalsContact O-N 3.14Å; V612-F614 PolarHBondContact O-N 3.25Å; V612-F615 PolarHBondContact O-N 3.31Å; V612-D616 HydrophobicContact CG1-CB 4.12Å; V612-D616 WeakPolarHBondContact O-CB 3.42Å; V612-D616 PolarHBondContact O-N 2.89Å; V612-V920 HydrophobicContact CB-CG1 4.23Å; V612-V920 HydrophobicContact CG1-CB 4.46Å; V612-V920 HydrophobicContact CG1-CG1 3.97Å; V612-V920 HydrophobicContact CG1-CG2 3.89Å; V612-D924 HydrophobicContact CG2-CB 4.5Å
613	V	87.5	Confident	84.2	Confident	9 Å²	9	33.4 Å²	33.4	6%	0.055	15%	0.145	C	C	.	.	H	α-helix	trans	-60.5	-45.3	179.1	-179	0	0	0	0	110.9	N611 I617 N618 V920 N928	N611-V613 VanDerWaalsContact C-N 3.29Å; N611-V613 PolarHBondContact O-N 2.79Å; V613-I617 HydrophobicContact CG1-CD1 4.19Å; V613-I617 WeakPolarHBondContact O-CA 3.48Å; V613-I617 VanDerWaalsContact O-CB 3.27Å; V613-I617 WeakPolarHBondContact O-CB 3.37Å; V613-I617 PolarHBondContact O-N 2.96Å; V613-I617 VanDerWaalsContact O-N 3.08Å; V613-N618 PolarHBondContact O-N 3.28Å; V613-N618 VanDerWaalsContact O-N 3.08Å; V613-V920 HydrophobicContact CG2-CG1 4.45Å; V613-N928 HydrophobicContact CB-CB 4.47Å; V613-N928 HydrophobicContact CG2-CB 3.8Å
614	F	90.2	Very high	85.2	Confident	46 Å²	46	23.2 Å²	23.2	20%	0.202	11%	0.111	C	C	.	.	I	π-helix	trans	-63.3	-48.7	177.6	-179.8	-95.9	0	0	0	112.3	N611 V612 N618 M619 I629 V631	N611-F614 PolarHBondContact O-N 3.47Å; N611-F614 WeakPolarHBondContact OD1-CB 3.26Å; V612-F614 PolarHBondContact O-N 3.25Å; F614-N618 WeakPolarHBondContact O-CB 3.37Å; F614-N618 PolarHBondContact O-N 2.92Å; F614-M619 HydrophobicContact CD1-CE 4.46Å; F614-M619 HydrophobicContact CD1-CG 4.35Å; F614-M619 HydrophobicContact CD2-CE 4.13Å; F614-M619 HydrophobicContact CE1-CE 3.9Å; F614-M619 HydrophobicContact CE1-CG 4.09Å; F614-M619 HydrophobicContact CE1-SD 4.06Å; F614-M619 HydrophobicContact CE2-CE 3.53Å; F614-M619 HydrophobicContact CZ-CE 3.4Å; F614-M619 HydrophobicContact CZ-SD 3.99Å; F614-M619 WeakPolarHBondContact O-CG 3.33Å; F614-M619 PolarHBondContact O-N 3.22Å; F614-I629 HydrophobicContact CZ-CD1 4.19Å; F614-I629 HydrophobicContact CZ-CG1 4.44Å; F614-V631 HydrophobicContact CE1-CG1 4Å; F614-V631 HydrophobicContact CZ-CG1 3.96Å
615	F	90.1	Very high	86.4	Confident	7 Å²	7	17.8 Å²	17.8	3%	0.031	9%	0.086	C	C	.	.	I	π-helix	trans	-78.7	-36.9	-174.3	-72.4	-63.4	0	0	0	114.4	P595 Q596 N611 V612 M619 V631 Y801	P595-F615 HydrophobicContact CB-CD1 4.45Å; Q596-F615 HydrophobicContact CB-CE1 4.3Å; Q596-F615 HydrophobicContact CB-CE2 4.1Å; Q596-F615 HydrophobicContact CB-CZ 3.71Å; Q596-F615 HydrophobicContact CG-CZ 4.21Å; N611-F615 HydrophobicContact CB-CD2 4.28Å; N611-F615 HydrophobicContact CB-CE2 4.27Å; N611-F615 PolarHBondContact O-N 3.03Å; V612-F615 PolarHBondContact O-N 3.31Å; F615-M619 HydrophobicContact CD1-CG 4.38Å; F615-V631 HydrophobicContact CE1-CG2 4.4Å; F615-Y801 WeakPolarHBondContact CA-OH 3.3Å; F615-Y801 WeakPolarHBondContact CB-OH 3.4Å; F615-Y801 WeakPolarHBondContact O-CE1 3.46Å; F615-Y801 VanDerWaalsContact O-CZ 3.3Å; F615-Y801 PolarHBondContact O-OH 3.05Å
616	D	90	Very high	87.1	Confident	22 Å²	22	18 Å²	18	12%	0.118	9%	0.087	C	C	.	.	I	π-helix	trans	-101.8	-13.2	-175	-82.3	-54	0	0	0	115	R597 V612 K620 V920	R597-D616 IonicContact CZ-OD2 3.73Å; R597-D616 VanDerWaalsContact CZ-OD2 3.29Å; R597-D616 IonicContact NH1-OD2 2.53Å; R597-D616 PolarHBondContact NH1-OD2 2.95Å; R597-D616 IonicContact NH2-OD1 3.93Å; R597-D616 PolarHBondContact NH2-OD1 3.3Å; R597-D616 IonicContact NH2-OD2 2.74Å; R597-D616 PolarHBondContact NH2-OD2 2.7Å; V612-D616 HydrophobicContact CG1-CB 4.12Å; V612-D616 WeakPolarHBondContact O-CB 3.42Å; V612-D616 PolarHBondContact O-N 2.89Å; D616-K620 WeakPolarHBondContact O-CD 3.23Å; D616-K620 VanDerWaalsContact O-CE 3.26Å; D616-K620 WeakPolarHBondContact O-CE 3.27Å; D616-K620 PolarHBondContact O-NZ 3.46Å; D616-K620 WeakPolarHBondContact OD1-CE 3.26Å; D616-K620 IonicContact OD1-NZ 2.92Å; D616-K620 PolarHBondContact OD1-NZ 3.28Å; D616-K620 VanDerWaalsContact OD1-NZ 3.1Å; D616-V920 HydrophobicContact CB-CG2 4.37Å
617	I	91.3	Very high	88.2	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-110.9	-63.2	171.7	-66.7	160.4	0	0	0	110	K326 V613 K620 G621 E914 W917 V920	K326-I617 HydrophobicContact CD-CG2 4.3Å; V613-I617 HydrophobicContact CG1-CD1 4.19Å; V613-I617 WeakPolarHBondContact O-CA 3.48Å; V613-I617 VanDerWaalsContact O-CB 3.27Å; V613-I617 WeakPolarHBondContact O-CB 3.37Å; V613-I617 PolarHBondContact O-N 2.96Å; V613-I617 VanDerWaalsContact O-N 3.08Å; I617-K620 PolarHBondContact O-N 2.98Å; I617-G621 PolarHBondContact O-N 3.18Å; I617-E914 HydrophobicContact CD1-CG 4.2Å; I617-E914 HydrophobicContact CG2-CG 3.9Å; I617-W917 HydrophobicContact CB-CH2 4.24Å; I617-W917 HydrophobicContact CG2-CH2 3.62Å; I617-W917 HydrophobicContact CG2-CZ2 3.86Å; I617-W917 HydrophobicContact CG2-CZ3 4.36Å; I617-V920 HydrophobicContact CD1-CB 4.31Å; I617-V920 HydrophobicContact CD1-CG2 3.64Å; I617-V920 HydrophobicContact CG1-CG2 3.99Å
618	N	92.4	Very high	89.3	Confident	33 Å²	33	15 Å²	15	18%	0.176	8%	0.076	C	C	.	.	I	π-helix	trans	-65.2	-52.2	-169	-63.8	14.2	0	0	0	112.5	K326 V613 F614 K620 G621 L622	K326-N618 WeakPolarHBondContact CE-OD1 3.33Å; V613-N618 PolarHBondContact O-N 3.28Å; V613-N618 VanDerWaalsContact O-N 3.08Å; F614-N618 WeakPolarHBondContact O-CB 3.37Å; F614-N618 PolarHBondContact O-N 2.92Å; N618-K620 VanDerWaalsContact C-N 3.28Å; N618-K620 PolarHBondContact O-N 3.41Å; N618-G621 WeakPolarHBondContact O-CA 3.41Å; N618-G621 PolarHBondContact O-N 3.39Å; N618-L622 PolarHBondContact O-N 2.6Å; N618-L622 VanDerWaalsContact O-N 3.15Å
619	M	92.9	Very high	90	Very high	4 Å²	4	15 Å²	15	2%	0.02	8%	0.075	C	C	.	.	H	α-helix	trans	-61.3	-32.9	-178.4	-68	-55.4	97.1	0	0	113.4	F614 F615 G621 L622 D623 P628 I629 Y801	F614-M619 HydrophobicContact CD1-CE 4.46Å; F614-M619 HydrophobicContact CD1-CG 4.35Å; F614-M619 HydrophobicContact CD2-CE 4.13Å; F614-M619 HydrophobicContact CE1-CE 3.9Å; F614-M619 HydrophobicContact CE1-CG 4.09Å; F614-M619 HydrophobicContact CE1-SD 4.06Å; F614-M619 HydrophobicContact CE2-CE 3.53Å; F614-M619 HydrophobicContact CZ-CE 3.4Å; F614-M619 HydrophobicContact CZ-SD 3.99Å; F614-M619 WeakPolarHBondContact O-CG 3.33Å; F614-M619 PolarHBondContact O-N 3.22Å; F615-M619 HydrophobicContact CD1-CG 4.38Å; M619-G621 VanDerWaalsContact C-N 3.33Å; M619-L622 HydrophobicContact CE-CD1 3.57Å; M619-L622 HydrophobicContact CE-CG 4.32Å; M619-L622 PolarHBondContact O-N 3.4Å; M619-L622 HydrophobicContact SD-CD1 4.27Å; M619-D623 PolarHBondContact O-N 3.13Å; M619-D623 VanDerWaalsContact O-N 3.08Å; M619-P628 HydrophobicContact SD-CB 3.81Å; M619-I629 HydrophobicContact CE-CG1 4.23Å; M619-I629 HydrophobicContact SD-CG1 4.22Å; M619-Y801 HydrophobicContact CB-CD1 3.85Å; M619-Y801 HydrophobicContact CB-CD2 4.12Å; M619-Y801 HydrophobicContact CB-CE1 3.53Å; M619-Y801 HydrophobicContact CB-CE2 3.86Å; M619-Y801 HydrophobicContact CB-CG 4.13Å; M619-Y801 HydrophobicContact CG-CE2 4.16Å
620	K	92.4	Very high	90.7	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-67.8	-32.8	174.5	-62.8	-172.3	-168.8	159.6	0	112.4	P329 I330 E331 D616 I617 N618 Y801	P329-K620 VanDerWaalsContact CA-O 3.31Å; P329-K620 WeakPolarHBondContact CA-O 3.35Å; I330-K620 PolarHBondContact N-O 3.35Å; I330-K620 VanDerWaalsContact N-O 3.11Å; E331-K620 HydrophobicContact CG-CD 4.15Å; E331-K620 IonicContact OE1-NZ 2.7Å; E331-K620 PolarHBondContact OE1-NZ 2.84Å; E331-K620 VanDerWaalsContact OE1-NZ 3.13Å; D616-K620 WeakPolarHBondContact O-CD 3.23Å; D616-K620 VanDerWaalsContact O-CE 3.26Å; D616-K620 WeakPolarHBondContact O-CE 3.27Å; D616-K620 PolarHBondContact O-NZ 3.46Å; D616-K620 WeakPolarHBondContact OD1-CE 3.26Å; D616-K620 IonicContact OD1-NZ 2.92Å; D616-K620 PolarHBondContact OD1-NZ 3.28Å; D616-K620 VanDerWaalsContact OD1-NZ 3.1Å; I617-K620 PolarHBondContact O-N 2.98Å; N618-K620 VanDerWaalsContact C-N 3.28Å; N618-K620 PolarHBondContact O-N 3.41Å; K620-Y801 HydrophobicContact CG-CD1 4.16Å; K620-Y801 HydrophobicContact CG-CE1 4.08Å
621	G	91.9	Very high	91.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.2	-50.1	169.8	0	0	0	0	0	112.1	P325 I617 N618 M619 D623 G624	P325-G621 CarbonylContact O-C 3.54Å; I617-G621 PolarHBondContact O-N 3.18Å; N618-G621 WeakPolarHBondContact O-CA 3.41Å; N618-G621 PolarHBondContact O-N 3.39Å; M619-G621 VanDerWaalsContact C-N 3.33Å; G621-D623 PolarHBondContact O-N 3.27Å; G621-G624 PolarHBondContact O-N 2.87Å
622	L	93	Very high	91.6	Very high	5 Å²	5	10 Å²	10	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-64.3	-34.7	-178.9	-54.4	-169	0	0	0	113.2	P325 N618 M619 G624 L625 G627 I629 S857	P325-L622 HydrophobicContact CB-CD2 3.64Å; N618-L622 PolarHBondContact O-N 2.6Å; N618-L622 VanDerWaalsContact O-N 3.15Å; M619-L622 HydrophobicContact CE-CD1 3.57Å; M619-L622 HydrophobicContact CE-CG 4.32Å; M619-L622 PolarHBondContact O-N 3.4Å; M619-L622 HydrophobicContact SD-CD1 4.27Å; L622-G624 PolarHBondContact O-N 2.98Å; L622-G624 VanDerWaalsContact O-N 3.17Å; L622-L625 HydrophobicContact CD2-CD1 4.41Å; L622-L625 WeakPolarHBondContact O-CA 3.5Å; L622-L625 WeakPolarHBondContact O-CB 3.41Å; L622-L625 PolarHBondContact O-N 3.02Å; L622-G627 WeakPolarHBondContact CB-O 3.42Å; L622-G627 CarbonylContact O-C 3.6Å; L622-G627 WeakPolarHBondContact O-CA 3.49Å; L622-G627 PolarHBondContact O-N 3.12Å; L622-I629 HydrophobicContact CD1-CG2 4.13Å; L622-S857 VanDerWaalsContact CD2-OG 3.29Å; L622-S857 WeakPolarHBondContact CD2-OG 3.27Å
623	D	93.9	Very high	91.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-58	-30.1	177.7	-173.4	77.3	0	0	0	114.5	K264 R332 M619 G621 L625 Y801	K264-D623 PolarHBondContact NZ-O 3.25Å; K264-D623 IonicContact NZ-OD2 3.75Å; K264-D623 PolarHBondContact NZ-OD2 3.48Å; K264-D623 VanDerWaalsContact NZ-OD2 3.08Å; R332-D623 IonicContact CZ-OD1 2.71Å; R332-D623 VanDerWaalsContact CZ-OD1 3.23Å; R332-D623 IonicContact CZ-OD2 3.98Å; R332-D623 VanDerWaalsContact CZ-OD2 3.24Å; R332-D623 VanDerWaalsContact NE-CG 3.31Å; R332-D623 IonicContact NE-OD1 3.84Å; R332-D623 PolarHBondContact NE-OD1 3.09Å; R332-D623 VanDerWaalsContact NE-OD1 3.14Å; R332-D623 IonicContact NE-OD2 2.91Å; R332-D623 PolarHBondContact NE-OD2 3.12Å; R332-D623 IonicContact NH2-OD1 3.57Å; R332-D623 PolarHBondContact NH2-OD1 3.11Å; R332-D623 IonicContact NH2-OD2 3.78Å; R332-D623 PolarHBondContact NH2-OD2 3.16Å; M619-D623 PolarHBondContact O-N 3.13Å; M619-D623 VanDerWaalsContact O-N 3.08Å; G621-D623 PolarHBondContact O-N 3.27Å; D623-L625 VanDerWaalsContact C-N 3.34Å; D623-Y801 PolarHBondContact OD1-N 2.91Å
624	G	90.9	Very high	92.2	Very high	16 Å²	16	9.1 Å²	9.1	17%	0.165	5%	0.052	C	C	.	.	H	α-helix	trans	-73.3	-26.1	173.2	0	0	0	0	0	113.8	Y328 G621 L622	Y328-G624 WeakPolarHBondContact O-CA 3.4Å; G621-G624 PolarHBondContact O-N 2.87Å; L622-G624 PolarHBondContact O-N 2.98Å; L622-G624 VanDerWaalsContact O-N 3.17Å
625	L	91.8	Very high	92.5	Very high	6 Å²	6	6.9 Å²	6.9	3%	0.031	4%	0.043	C	C	.	.	S	Bend	trans	-81.7	-109.6	-179.6	-58	-177.9	0	0	0	110.6	P325 Y328 L622 D623 R798 K851 L853 E854	P325-L625 HydrophobicContact CB-CD1 4.36Å; P325-L625 WeakPolarHBondContact O-CD1 3.11Å; Y328-L625 HydrophobicContact CD2-CD2 4.12Å; L622-L625 HydrophobicContact CD2-CD1 4.41Å; L622-L625 WeakPolarHBondContact O-CA 3.5Å; L622-L625 WeakPolarHBondContact O-CB 3.41Å; L622-L625 PolarHBondContact O-N 3.02Å; D623-L625 VanDerWaalsContact C-N 3.34Å; L625-R798 PolarHBondContact O-NH2 3.16Å; L625-K851 PolarHBondContact O-NZ 3.45Å; L625-L853 HydrophobicContact CD1-CB 3.76Å; L625-L853 HydrophobicContact CD2-CB 3.98Å; L625-L853 HydrophobicContact CD2-CD1 3.65Å; L625-L853 HydrophobicContact CD2-CG 4.47Å; L625-L853 HydrophobicContact CG-CB 4.47Å; L625-E854 WeakPolarHBondContact CB-OE2 3.48Å
626	Q	92.7	Very high	92.8	Very high	7 Å²	7	6.6 Å²	6.6	3%	0.033	4%	0.042	C	C	.	.	S	Bend	trans	-92.7	-49.8	173	-151	157.8	-44.2	0	0	110.2	H793 W797 R798 K851 E854	Q626-H793 PolarHBondContact NE2-O 2.89Å; Q626-W797 PolarHBondContact NE2-O 3.39Å; Q626-R798 HydrophobicContact CG-CB 4.17Å; Q626-R798 VanDerWaalsContact O-CB 3.27Å; Q626-R798 WeakPolarHBondContact O-CB 3.4Å; Q626-R798 WeakPolarHBondContact O-CG 3.37Å; Q626-R798 PolarHBondContact O-NE 3.5Å; Q626-K851 HydrophobicContact CB-CD 4.44Å; Q626-E854 WeakPolarHBondContact CA-OE2 3.37Å; Q626-E854 HydrophobicContact CB-CB 4.25Å; Q626-E854 HydrophobicContact CB-CG 3.7Å; Q626-E854 WeakPolarHBondContact CB-OE1 3.25Å; Q626-E854 WeakPolarHBondContact CB-OE2 3.48Å; Q626-E854 PolarHBondContact N-OE2 3.33Å
627	G	92.9	Very high	93.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.036	C	C	.	.			trans	171.7	179.2	169.2	0	0	0	0	0	110.8	L622 S799	L622-G627 WeakPolarHBondContact CB-O 3.42Å; L622-G627 CarbonylContact O-C 3.6Å; L622-G627 WeakPolarHBondContact O-CA 3.49Å; L622-G627 PolarHBondContact O-N 3.12Å; G627-S799 WeakPolarHBondContact CA-OG 3.3Å
628	P	94.6	Very high	93.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.042	C	C	.	.	P	Polyproline II helix	trans	-61.3	154.7	171.4	30.6	-39.5	0	0	0	112.3	Y591 Q593 M619 S799 Y801	Y591-P628 PolarHBondContact OH-O 2.83Å; Y591-P628 VanDerWaalsContact OH-O 3.06Å; Q593-P628 HydrophobicContact CB-CB 4.45Å; Q593-P628 HydrophobicContact CB-CG 3.89Å; M619-P628 HydrophobicContact SD-CB 3.81Å; P628-S799 WeakPolarHBondContact CD-OG 3.2Å; P628-S799 VanDerWaalsContact N-OG 3.14Å; P628-S799 PolarHBondContact O-OG 3.45Å; P628-Y801 HydrophobicContact CB-CD2 4.16Å; P628-Y801 HydrophobicContact CB-CG 4.43Å; P628-Y801 HydrophobicContact CG-CD2 4.16Å; P628-Y801 HydrophobicContact CG-CG 4.35Å
629	I	93.8	Very high	93.4	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.021	3%	0.034	C	C	.	.	P	Polyproline II helix	trans	-71.9	154.9	166.4	66.2	179.4	0	0	0	110.5	F614 M619 L622 V631 I786 Y858	F614-I629 HydrophobicContact CZ-CD1 4.19Å; F614-I629 HydrophobicContact CZ-CG1 4.44Å; M619-I629 HydrophobicContact CE-CG1 4.23Å; M619-I629 HydrophobicContact SD-CG1 4.22Å; L622-I629 HydrophobicContact CD1-CG2 4.13Å; I629-V631 HydrophobicContact CG1-CG1 4.05Å; I629-I786 HydrophobicContact CD1-CG1 4.44Å; I629-Y858 HydrophobicContact CB-CE1 4.43Å; I629-Y858 HydrophobicContact CG2-CD1 4.27Å; I629-Y858 HydrophobicContact CG2-CE1 3.57Å
630	Y	94.9	Very high	93.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.	P	Polyproline II helix	trans	-78.7	140.2	170.5	170.8	-131.8	0	0	0	110	N560 Y591 G632 C635 F637 W777 D785	N560-Y630 PolarHBondContact ND2-OH 2.9Å; Y591-Y630 PolarHBondContact OH-N 2.94Å; Y630-G632 VanDerWaalsContact CE2-N 3.32Å; Y630-G632 PolarHBondContact OH-O 2.9Å; Y630-C635 HydrophobicContact CD2-CB 3.78Å; Y630-C635 HydrophobicContact CE2-CB 3.75Å; Y630-F637 HydrophobicContact CD1-CE1 4.38Å; Y630-F637 AromaticContact CD1-CZ 3.71Å; Y630-F637 HydrophobicContact CD1-CZ 3.71Å; Y630-F637 HydrophobicContact CD2-CE2 4.22Å; Y630-F637 AromaticContact CD2-CZ 3.62Å; Y630-F637 HydrophobicContact CD2-CZ 3.62Å; Y630-F637 HydrophobicContact CE1-CE2 4.42Å; Y630-F637 AromaticContact CE1-CZ 3.72Å; Y630-F637 HydrophobicContact CE1-CZ 3.72Å; Y630-F637 AromaticContact CE2-CE2 3.87Å; Y630-F637 HydrophobicContact CE2-CE2 3.87Å; Y630-F637 AromaticContact CE2-CZ 3.64Å; Y630-F637 HydrophobicContact CE2-CZ 3.64Å; Y630-F637 HydrophobicContact CG-CE1 4.37Å; Y630-F637 AromaticContact CG-CZ 3.69Å; Y630-F637 HydrophobicContact CG-CZ 3.69Å; Y630-F637 AromaticContact CZ-CE2 3.98Å; Y630-F637 AromaticContact CZ-CZ 3.69Å; Y630-W777 HydrophobicContact CE1-CZ2 4.35Å; Y630-W777 AromaticContact CE1-NE1 3.42Å; Y630-W777 AromaticContact CZ-NE1 3.85Å; Y630-W777 PolarHBondContact OH-NE1 3.26Å; Y630-D785 VanDerWaalsContact CD1-CA 3.5Å; Y630-D785 HydrophobicContact CD1-CB 3.56Å; Y630-D785 WeakPolarHBondContact CD1-O 3.39Å; Y630-D785 HydrophobicContact CE1-CB 3.51Å; Y630-D785 HydrophobicContact CG-CB 4.27Å
631	V	91.3	Very high	93.4	Very high	22 Å²	22	6.7 Å²	6.7	13%	0.133	4%	0.04	C	C	.	.			trans	-132.8	36.9	-168.9	-68.1	0	0	0	0	112.9	Q593 Q596 F614 F615 I629 T633 D785	Q593-V631 VanDerWaalsContact CD-CG2 3.46Å; Q593-V631 HydrophobicContact CG-CG2 4.15Å; Q596-V631 PolarHBondContact NE2-O 3.19Å; F614-V631 HydrophobicContact CE1-CG1 4Å; F614-V631 HydrophobicContact CZ-CG1 3.96Å; F615-V631 HydrophobicContact CE1-CG2 4.4Å; I629-V631 HydrophobicContact CG1-CG1 4.05Å; V631-T633 VanDerWaalsContact C-N 3.34Å; V631-T633 PolarHBondContact O-N 3.11Å; V631-T633 VanDerWaalsContact O-N 3.08Å; V631-D785 WeakPolarHBondContact CA-OD2 3.48Å
632	G	89.4	Confident	93.5	Very high	8 Å²	8	6.9 Å²	6.9	8%	0.082	4%	0.041	C	C	.	.	S	Bend	trans	86	-40.5	170.3	0	0	0	0	0	116.2	K538 N560 Y630 D785	K538-G632 PolarHBondContact NZ-O 3.43Å; N560-G632 PolarHBondContact ND2-O 3.18Å; Y630-G632 VanDerWaalsContact CE2-N 3.32Å; Y630-G632 PolarHBondContact OH-O 2.9Å; G632-D785 PolarHBondContact N-OD2 3.29Å; G632-D785 VanDerWaalsContact N-OD2 3.11Å
633	T	92.1	Very high	93.5	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.012	4%	0.039	C	C	.	.	S	Bend	trans	-144.9	161.2	-176	178.1	0	0	0	0	113	D562 Q593 Q596 V631	D562-T633 HydrophobicContact CB-CG2 4.46Å; D562-T633 PolarHBondContact N-OG1 3.25Å; D562-T633 VanDerWaalsContact N-OG1 3.08Å; Q593-T633 PolarHBondContact NE2-O 3.08Å; Q596-T633 HydrophobicContact CG-CG2 3.93Å; Q596-T633 PolarHBondContact NE2-O 2.76Å; V631-T633 VanDerWaalsContact C-N 3.34Å; V631-T633 PolarHBondContact O-N 3.11Å; V631-T633 VanDerWaalsContact O-N 3.08Å
634	G	93.1	Very high	93.2	Very high	2 Å²	2	7.5 Å²	7.5	2%	0.021	5%	0.048	C	C	.	.	S	Bend	trans	74	40.2	176.8	0	0	0	0	0	113.5	N560 Q593 F594	N560-G634 PolarHBondContact O-N 3.33Å; Q593-G634 PolarHBondContact NE2-O 3.08Å; F594-G634 PolarHBondContact N-O 2.81Å
635	C	96.2	Very high	93.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.4	-167.8	-163.4	0	0	0	0	113.2	L559 N560 Y591 V592 Q593 Y630 F637	L559-C635 WeakPolarHBondContact CA-O 3.35Å; N560-C635 PolarHBondContact N-O 3.3Å; N560-C635 PolarHBondContact O-N 3.15Å; Y591-C635 WeakPolarHBondContact CD2-SG 3.28Å; V592-C635 WeakPolarHBondContact O-CA 3.33Å; Q593-C635 PolarHBondContact OE1-SG 3.21Å; Y630-C635 HydrophobicContact CD2-CB 3.78Å; Y630-C635 HydrophobicContact CE2-CB 3.75Å; C635-F637 HydrophobicContact CB-CD2 4.5Å; C635-F637 HydrophobicContact CB-CE2 3.87Å; C635-F637 HydrophobicContact CB-CZ 4.33Å
636	V	97	Very high	92.9	Very high	1 Å²	1	14 Å²	14	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.4	179.4	-176.1	0	0	0	0	109.9	L558 L559 A576 M577 M580 Y591 V592 F594	L558-V636 CarbonylContact O-C 3.57Å; L558-V636 WeakPolarHBondContact O-CA 3.47Å; L559-V636 HydrophobicContact CB-CG2 4.14Å; L559-V636 HydrophobicContact CD1-CG2 3.82Å; L559-V636 HydrophobicContact CG-CG2 4.42Å; A576-V636 HydrophobicContact CB-CB 4.09Å; A576-V636 HydrophobicContact CB-CG1 4.29Å; A576-V636 HydrophobicContact CB-CG2 3.73Å; M577-V636 HydrophobicContact CE-CG1 4.13Å; M580-V636 WeakPolarHBondContact CE-O 3.34Å; Y591-V636 CarbonylContact C-O 3.58Å; Y591-V636 WeakPolarHBondContact CA-O 3.37Å; Y591-V636 WeakPolarHBondContact CB-O 2.98Å; V592-V636 PolarHBondContact N-O 2.98Å; V592-V636 PolarHBondContact O-N 3.27Å; F594-V636 HydrophobicContact CE2-CG2 4.37Å
637	F	97	Very high	92.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	157.6	177.9	-65.4	-91.6	0	0	0	113.4	Y557 L558 N560 C590 Y591 Y630 C635 L642 W777 M792	Y557-F637 CarbonylContact C-O 3.55Å; Y557-F637 VanDerWaalsContact CA-O 3.22Å; Y557-F637 WeakPolarHBondContact CA-O 3.24Å; L558-F637 HydrophobicContact CB-CB 4.42Å; L558-F637 PolarHBondContact N-O 2.68Å; L558-F637 PolarHBondContact O-N 2.61Å; N560-F637 HydrophobicContact CB-CE2 4.48Å; C590-F637 CarbonylContact O-C 3.55Å; C590-F637 WeakPolarHBondContact O-CA 3.44Å; Y591-F637 AromaticContact CD1-CD1 3.95Å; Y591-F637 HydrophobicContact CD1-CD1 3.95Å; Y591-F637 AromaticContact CD1-CE1 3.79Å; Y591-F637 HydrophobicContact CD1-CE1 3.79Å; Y591-F637 HydrophobicContact CE1-CE1 4.47Å; Y591-F637 HydrophobicContact CG-CD1 4.09Å; Y591-F637 AromaticContact CG-CE1 3.99Å; Y591-F637 HydrophobicContact CG-CE1 3.99Å; Y630-F637 HydrophobicContact CD1-CE1 4.38Å; Y630-F637 AromaticContact CD1-CZ 3.71Å; Y630-F637 HydrophobicContact CD1-CZ 3.71Å; Y630-F637 HydrophobicContact CD2-CE2 4.22Å; Y630-F637 AromaticContact CD2-CZ 3.62Å; Y630-F637 HydrophobicContact CD2-CZ 3.62Å; Y630-F637 HydrophobicContact CE1-CE2 4.42Å; Y630-F637 AromaticContact CE1-CZ 3.72Å; Y630-F637 HydrophobicContact CE1-CZ 3.72Å; Y630-F637 AromaticContact CE2-CE2 3.87Å; Y630-F637 HydrophobicContact CE2-CE2 3.87Å; Y630-F637 AromaticContact CE2-CZ 3.64Å; Y630-F637 HydrophobicContact CE2-CZ 3.64Å; Y630-F637 HydrophobicContact CG-CE1 4.37Å; Y630-F637 AromaticContact CG-CZ 3.69Å; Y630-F637 HydrophobicContact CG-CZ 3.69Å; Y630-F637 AromaticContact CZ-CE2 3.98Å; Y630-F637 AromaticContact CZ-CZ 3.69Å; C635-F637 HydrophobicContact CB-CD2 4.5Å; C635-F637 HydrophobicContact CB-CE2 3.87Å; C635-F637 HydrophobicContact CB-CZ 4.33Å; F637-L642 HydrophobicContact CB-CD1 3.66Å; F637-L642 HydrophobicContact CB-CG 4.31Å; F637-L642 HydrophobicContact CD1-CD1 4.25Å; F637-L642 HydrophobicContact CD1-CD2 4.13Å; F637-L642 HydrophobicContact CD1-CG 4.25Å; F637-L642 HydrophobicContact CE1-CD2 4.44Å; F637-L642 HydrophobicContact CG-CD1 3.96Å; F637-L642 HydrophobicContact CG-CG 4.45Å; F637-W777 HydrophobicContact CD2-CH2 4.12Å; F637-W777 HydrophobicContact CD2-CZ2 4.22Å; F637-W777 HydrophobicContact CE2-CH2 4.06Å; F637-W777 AromaticContact CE2-CZ2 3.69Å; F637-W777 HydrophobicContact CE2-CZ2 3.69Å; F637-W777 AromaticContact CZ-CZ2 3.97Å; F637-W777 HydrophobicContact CZ-CZ2 3.97Å; F637-M792 HydrophobicContact CD1-CE 3.99Å; F637-M792 HydrophobicContact CD1-SD 4.06Å; F637-M792 HydrophobicContact CE1-SD 4.01Å
638	R	95.5	Very high	92.1	Very high	33 Å²	33	17.1 Å²	17.1	13%	0.125	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.2	163.5	-179.7	179.4	-63.1	-72.8	-3.3	108.9	Y557 M580 G586 I589 C590 Q640 A641 L642	Y557-R638 HydrophobicContact CD1-CB 4.37Å; Y557-R638 HydrophobicContact CE1-CB 4.29Å; Y557-R638 HydrophobicContact CE1-CG 4.29Å; Y557-R638 PolarHBondContact OH-NH1 3.18Å; Y557-R638 PolarHBondContact OH-NH2 3.3Å; M580-R638 HydrophobicContact CE-CB 3.89Å; M580-R638 PolarHBondContact O-NH2 2.89Å; M580-R638 VanDerWaalsContact O-NH2 3.08Å; G586-R638 PolarHBondContact O-NH2 3.08Å; I589-R638 PolarHBondContact O-NE 3.16Å; C590-R638 PolarHBondContact O-N 3.07Å; R638-Q640 VanDerWaalsContact C-N 3.3Å; R638-Q640 HydrophobicContact CG-CB 4.43Å; R638-Q640 PolarHBondContact O-N 3.01Å; R638-A641 HydrophobicContact CB-CB 4.25Å; R638-A641 WeakPolarHBondContact O-CB 3.49Å; R638-A641 PolarHBondContact O-N 3.41Å; R638-L642 PolarHBondContact O-N 2.71Å
639	R	94.9	Very high	91	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-49	-48.1	-179.2	175.8	-179.2	-70.5	-86	6.2	112.7	D356 I546 S549 G550 N554 A555 P556 L558 A641 L642 Y643	D356-R639 IonicContact OD2-NH2 3.86Å; D356-R639 PolarHBondContact OD2-NH2 2.96Å; I546-R639 PolarHBondContact O-NH1 3.23Å; S549-R639 PolarHBondContact OG-NH2 3.22Å; G550-R639 VanDerWaalsContact CA-NH1 3.28Å; N554-R639 VanDerWaalsContact OD1-CD 3.31Å; N554-R639 WeakPolarHBondContact OD1-CD 3.44Å; N554-R639 PolarHBondContact OD1-NE 3.37Å; A555-R639 PolarHBondContact O-NE 3.31Å; P556-R639 WeakPolarHBondContact O-CB 3.3Å; P556-R639 PolarHBondContact O-N 2.73Å; L558-R639 HydrophobicContact CD1-CB 4.42Å; R639-A641 PolarHBondContact O-N 2.9Å; R639-L642 WeakPolarHBondContact O-CB 3.4Å; R639-L642 PolarHBondContact O-N 3.07Å; R639-Y643 WeakPolarHBondContact CD-OH 3.08Å; R639-Y643 HydrophobicContact CG-CD2 4Å; R639-Y643 HydrophobicContact CG-CE1 4.08Å; R639-Y643 HydrophobicContact CG-CE2 3.41Å; R639-Y643 VanDerWaalsContact CG-CE2 3.41Å; R639-Y643 VanDerWaalsContact CG-CZ 3.48Å; R639-Y643 PolarHBondContact NH1-OH 2.99Å; R639-Y643 PolarHBondContact O-N 2.8Å
640	Q	92.1	Very high	89.4	Confident	26 Å²	26	32.4 Å²	32.4	12%	0.121	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-25.5	179.2	-66	-63.1	-10.3	0	0	114.2	R638 F645 A737 M739	R638-Q640 VanDerWaalsContact C-N 3.3Å; R638-Q640 HydrophobicContact CG-CB 4.43Å; R638-Q640 PolarHBondContact O-N 3.01Å; Q640-F645 WeakPolarHBondContact O-CD2 3.29Å; Q640-A737 PolarHBondContact NE2-O 3.03Å; Q640-A737 PolarHBondContact OE1-O 3.37Å; Q640-M739 PolarHBondContact NE2-O 3.41Å
641	A	93.1	Very high	87.5	Confident	5 Å²	5	42.5 Å²	42.5	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-80.8	-28	175.3	0	0	0	0	0	112.2	C590 R638 R639 M792 W797	C590-A641 HydrophobicContact CB-CB 3.79Å; R638-A641 HydrophobicContact CB-CB 4.25Å; R638-A641 WeakPolarHBondContact O-CB 3.49Å; R638-A641 PolarHBondContact O-N 3.41Å; R639-A641 PolarHBondContact O-N 2.9Å; A641-M792 HydrophobicContact CB-CE 3.54Å; A641-M792 WeakPolarHBondContact O-CE 3.46Å; A641-W797 HydrophobicContact CB-CD2 3.82Å; A641-W797 HydrophobicContact CB-CE3 4.25Å; A641-W797 HydrophobicContact CB-CG 4.32Å; A641-W797 HydrophobicContact CB-CH2 4.24Å; A641-W797 HydrophobicContact CB-CZ2 3.8Å; A641-W797 HydrophobicContact CB-CZ3 4.44Å
642	L	94	Very high	85.1	Confident	4 Å²	4	51 Å²	51	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-73.9	-31.3	170.4	-72.7	163.6	0	0	0	111.7	I546 L558 F637 R638 R639 G644 G776 W777 T788 M792	I546-L642 HydrophobicContact CD1-CB 4.33Å; I546-L642 HydrophobicContact CD1-CD1 4.36Å; L558-L642 HydrophobicContact CD1-CD1 3.92Å; F637-L642 HydrophobicContact CB-CD1 3.66Å; F637-L642 HydrophobicContact CB-CG 4.31Å; F637-L642 HydrophobicContact CD1-CD1 4.25Å; F637-L642 HydrophobicContact CD1-CD2 4.13Å; F637-L642 HydrophobicContact CD1-CG 4.25Å; F637-L642 HydrophobicContact CE1-CD2 4.44Å; F637-L642 HydrophobicContact CG-CD1 3.96Å; F637-L642 HydrophobicContact CG-CG 4.45Å; R638-L642 PolarHBondContact O-N 2.71Å; R639-L642 WeakPolarHBondContact O-CB 3.4Å; R639-L642 PolarHBondContact O-N 3.07Å; L642-G644 PolarHBondContact O-N 3.31Å; L642-G776 PolarHBondContact O-N 3.21Å; L642-W777 HydrophobicContact CD1-CH2 3.94Å; L642-W777 HydrophobicContact CD1-CZ3 3.77Å; L642-W777 HydrophobicContact CD2-CE3 4.18Å; L642-W777 HydrophobicContact CD2-CH2 4.25Å; L642-W777 HydrophobicContact CD2-CZ3 3.98Å; L642-T788 HydrophobicContact CD2-CG2 4.25Å; L642-M792 HydrophobicContact CD2-CE 3.85Å; L642-M792 HydrophobicContact CD2-SD 4.42Å; L642-M792 HydrophobicContact CG-CE 3.8Å
643	Y	92.8	Very high	82.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	5.8	171.4	-68.8	-17.8	0	0	0	115.1	I546 R639 F645 K726 F727 F733 A737 W771	I546-Y643 HydrophobicContact CG2-CD1 4.3Å; I546-Y643 HydrophobicContact CG2-CE1 3.5Å; I546-Y643 VanDerWaalsContact CG2-CE1 3.5Å; R639-Y643 WeakPolarHBondContact CD-OH 3.08Å; R639-Y643 HydrophobicContact CG-CD2 4Å; R639-Y643 HydrophobicContact CG-CE1 4.08Å; R639-Y643 HydrophobicContact CG-CE2 3.41Å; R639-Y643 VanDerWaalsContact CG-CE2 3.41Å; R639-Y643 VanDerWaalsContact CG-CZ 3.48Å; R639-Y643 PolarHBondContact NH1-OH 2.99Å; R639-Y643 PolarHBondContact O-N 2.8Å; Y643-F645 HydrophobicContact CD2-CE2 4.46Å; Y643-F645 PolarHBondContact O-N 2.73Å; Y643-K726 WeakPolarHBondContact O-CE 3.44Å; Y643-K726 PolarHBondContact O-NZ 2.72Å; Y643-K726 VanDerWaalsContact O-NZ 3.1Å; Y643-F727 HydrophobicContact CD1-CE1 4.18Å; Y643-F727 HydrophobicContact CG-CE1 4Å; Y643-F727 HydrophobicContact CG-CZ 4.44Å; Y643-F733 HydrophobicContact CE1-CE2 4.31Å; Y643-F733 AromaticContact CE1-CZ 3.67Å; Y643-F733 HydrophobicContact CE1-CZ 3.67Å; Y643-F733 AromaticContact CZ-CZ 3.81Å; Y643-F733 WeakPolarHBondContact OH-CE2 3.43Å; Y643-A737 HydrophobicContact CD2-CB 4.06Å; Y643-A737 HydrophobicContact CE2-CB 3.68Å; Y643-W771 HydrophobicContact CD1-CH2 4.42Å; Y643-W771 HydrophobicContact CE1-CH2 4.26Å
644	G	88.1	Confident	80.4	Confident	19 Å²	19	59 Å²	59	20%	0.196	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	42.1	176.4	0	0	0	0	0	112.7	L642 K726	L642-G644 PolarHBondContact O-N 3.31Å; G644-K726 PolarHBondContact O-NZ 3.1Å
645	F	88.7	Confident	77.9	Confident	76 Å²	76	69.7 Å²	69.7	33%	0.333	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-92.6	147.9	164.1	-69.1	-76.4	0	0	0	110.3	Q640 Y643 F727 W797	Q640-F645 WeakPolarHBondContact O-CD2 3.29Å; Y643-F645 HydrophobicContact CD2-CE2 4.46Å; Y643-F645 PolarHBondContact O-N 2.73Å; F645-F727 AromaticContact CE2-CZ 3.87Å; F645-F727 HydrophobicContact CE2-CZ 3.87Å; F645-F727 HydrophobicContact CZ-CE2 4.2Å; F645-F727 AromaticContact CZ-CZ 3.95Å; F645-F727 HydrophobicContact CZ-CZ 3.95Å; F645-W797 PolarHBondContact O-NE1 3.1Å
646	D	87.2	Confident	75.3	Confident	83 Å²	83	79.3 Å²	79.3	44%	0.444	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-68.9	146.5	176.6	-94.8	1.7	0	0	0	111.9	H795	D646-H795 IonicContact OD1-CE1 3.86Å; D646-H795 IonicContact OD1-CG 3.97Å; D646-H795 IonicContact OD1-ND1 2.73Å; D646-H795 PolarHBondContact OD1-ND1 3.03Å
647	A	86.3	Confident	72.9	Confident	9 Å²	9	84 Å²	84	7%	0.074	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-64.6	135	175.3	0	0	0	0	0	111.6	K649 H795 G796 W797	A647-K649 PolarHBondContact O-N 2.99Å; A647-K649 VanDerWaalsContact O-N 3.07Å; A647-H795 PolarHBondContact N-O 3.08Å; A647-H795 VanDerWaalsContact N-O 3.17Å; A647-G796 VanDerWaalsContact CB-C 3.41Å; A647-G796 VanDerWaalsContact CB-O 3.3Å; A647-G796 WeakPolarHBondContact CB-O 3.5Å; A647-W797 HydrophobicContact CB-CB 4.27Å; A647-W797 HydrophobicContact CB-CD2 3.56Å; A647-W797 HydrophobicContact CB-CE3 3.92Å; A647-W797 HydrophobicContact CB-CG 3.73Å; A647-W797 HydrophobicContact CB-CZ2 4.41Å; A647-W797 HydrophobicContact CB-CZ3 4.46Å
648	P	82.2	Confident	70.3	Confident	63 Å²	63	89 Å²	89	41%	0.409	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-56.6	118.2	-169.3	17.4	-30.8	0	0	0	112	K587 K588 K650	K587-P648 WeakPolarHBondContact O-CD 3.48Å; K587-P648 WeakPolarHBondContact O-CG 3.41Å; K588-P648 VanDerWaalsContact CE-O 3.23Å; K588-P648 WeakPolarHBondContact CE-O 3.24Å; K588-P648 PolarHBondContact NZ-O 3.32Å; P648-K650 PolarHBondContact O-N 3.38Å
649	K	71.8	Confident	67.8	Low	151 Å²	151	95.1 Å²	95.1	66%	0.657	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-58.2	132.6	-174.7	-69.3	166.5	-175.8	162.5	0	109.1	A647 K651	A647-K649 PolarHBondContact O-N 2.99Å; A647-K649 VanDerWaalsContact O-N 3.07Å; K649-K651 PolarHBondContact O-N 3.27Å
650	K	60.9	Low	65.4	Low	174 Å²	174	99.8 Å²	99.8	76%	0.757	52%	0.516	S	S	*	.			trans	-60.7	114.4	174.8	-76	-166.3	176.7	-169.7	0	108	P648 K652	P648-K650 PolarHBondContact O-N 3.38Å; K650-K652 PolarHBondContact O-N 2.79Å
651	K	53.2	Low	62.5	Low	213 Å²	213	110 Å²	110	93%	0.926	55%	0.553	S	S	*	*			trans	-54.9	106.2	159.8	-72.6	-172.9	178.2	-177.8	0	106.3	K649 G653	K649-K651 PolarHBondContact O-N 3.27Å; K651-G653 PolarHBondContact O-N 3.05Å
652	K	42	Very low	60	Low	200 Å²	200	115.4 Å²	115.4	87%	0.87	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-64.3	116.7	169.9	-73.9	177.5	180	170.6	0	105.3	K650	K650-K652 PolarHBondContact O-N 2.79Å
653	G	43.9	Very low	57.3	Low	60 Å²	60	124.9 Å²	124.9	62%	0.619	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-53	140.7	168.9	0	0	0	0	0	109	K651 R655	K651-G653 PolarHBondContact O-N 3.05Å; G653-R655 PolarHBondContact O-N 2.86Å; G653-R655 VanDerWaalsContact O-N 3.15Å
654	P	38.7	Very low	54.9	Low	119 Å²	119	136.8 Å²	136.8	77%	0.773	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-54.8	126.1	180	23.1	-33.1	0	0	0	108.6	K656	P654-K656 PolarHBondContact O-N 3.11Å
655	R	40.4	Very low	52.3	Low	226 Å²	226	142 Å²	142	85%	0.853	71%	0.706	S	S	*	*			trans	-64.7	98.1	179.1	-87.2	-175.7	166.7	-177	-5.5	108.3	G653 T657	G653-R655 PolarHBondContact O-N 2.86Å; G653-R655 VanDerWaalsContact O-N 3.15Å; R655-T657 HydrophobicContact CB-CG2 4.4Å; R655-T657 PolarHBondContact O-N 2.84Å
656	K	42.7	Very low	49.7	Very low	202 Å²	202	146.3 Å²	146.3	88%	0.878	73%	0.732	S	S	*	*			trans	-70.1	59.4	162.4	-70.8	-168.3	175.9	-173.8	0	110	P654 C658	P654-K656 PolarHBondContact O-N 3.11Å; K656-C658 VanDerWaalsContact C-N 3.26Å; K656-C658 PolarHBondContact O-N 3.37Å
657	T	45.2	Very low	47.3	Very low	100 Å²	100	149.5 Å²	149.5	61%	0.613	75%	0.748	S	S	*	*			trans	-73.4	88.2	160.9	43.7	0	0	0	0	107.1	R655	R655-T657 HydrophobicContact CB-CG2 4.4Å; R655-T657 PolarHBondContact O-N 2.84Å
658	C	42.9	Very low	45	Very low	103 Å²	103	155.4 Å²	155.4	70%	0.696	79%	0.787	S	S	*	*			trans	-63.5	132.8	167	-166.5	0	0	0	0	108.2	K656 C660	K656-C658 VanDerWaalsContact C-N 3.26Å; K656-C658 PolarHBondContact O-N 3.37Å; C658-C660 PolarHBondContact O-N 2.72Å
659	N	42.9	Very low	42.7	Very low	162 Å²	162	162.2 Å²	162.2	87%	0.866	81%	0.811	S	S	*	*			trans	-76.6	33.8	-174.2	-82.4	-15	0	0	0	113.7	W661	N659-W661 PolarHBondContact O-N 3.1Å
660	C	45.1	Very low	41	Very low	101 Å²	101	158.6 Å²	158.6	68%	0.682	82%	0.817	S	S	*	*			trans	-90.6	74.9	177.4	-63.6	0	0	0	0	110.6	C658	C658-C660 PolarHBondContact O-N 2.72Å
661	W	31.3	Very low	40	Very low	240 Å²	240	155.2 Å²	155.2	91%	0.909	82%	0.815	S	S	*	*			trans	-103.1	107.5	166.6	-103.5	36.9	0	0	0	109.9	N659 K663	N659-W661 PolarHBondContact O-N 3.1Å; W661-K663 PolarHBondContact O-N 3.12Å
662	P	39.9	Very low	39.2	Very low	119 Å²	119	155.7 Å²	155.7	77%	0.773	81%	0.811	S	S	*	*			trans	-63	127.3	166.7	-20.4	33.5	0	0	0	110.3	W664	P662-W664 PolarHBondContact O-N 2.84Å
663	K	38.2	Very low	38.9	Very low	202 Å²	202	155.1 Å²	155.1	88%	0.878	81%	0.808	S	S	*	*	S	Bend	trans	-77.6	49.8	-170.4	-64.3	179.2	175.6	174.9	0	114.2	W661	W661-K663 PolarHBondContact O-N 3.12Å
664	W	41.9	Very low	38.4	Very low	250 Å²	250	160.2 Å²	160.2	95%	0.947	82%	0.821	S	S	*	*			trans	-138.7	35.4	-169	-129.9	40.7	0	0	0	117.2	P662	P662-W664 PolarHBondContact O-N 2.84Å
665	C	33.8	Very low	38.3	Very low	129 Å²	129	166.6 Å²	166.6	87%	0.872	83%	0.83	S	S	*	*			trans	-125.3	79.8	161.2	-163.4	0	0	0	0	110.4
666	L	32.5	Very low	38.1	Very low	167 Å²	167	166 Å²	166	87%	0.874	83%	0.833	S	S	*	*			trans	-112.8	85.7	175.1	-92.5	168.8	0	0	0	109.1
667	L	38.5	Very low	37.6	Very low	150 Å²	150	161 Å²	161	79%	0.785	83%	0.83	S	S	*	*			trans	-159.8	81.9	171.2	-110.7	171.6	0	0	0	111.8
668	C	36.6	Very low	37.1	Very low	133 Å²	133	166.2 Å²	166.2	90%	0.899	84%	0.844	S	S	*	*			trans	-173.3	123.6	148.9	-110.4	0	0	0	0	109.9
669	F	34.3	Very low	36.6	Very low	205 Å²	205	168 Å²	168	90%	0.899	85%	0.852	S	S	*	*			trans	-84.1	150.4	-169.4	-71.6	-109.7	0	0	0	112.5
670	G	36.5	Very low	36.3	Very low	76 Å²	76	167.4 Å²	167.4	78%	0.784	85%	0.854	S	S	*	*			trans	-162.1	16.2	-174	0	0	0	0	0	119.2
671	S	38.7	Very low	35.7	Very low	102 Å²	102	167.3 Å²	167.3	71%	0.713	86%	0.86	S	S	*	*			trans	35.3	115.2	162.8	-75.2	0	0	0	0	122.5
672	R	37.2	Very low	35.9	Very low	224 Å²	224	160.7 Å²	160.7	85%	0.845	86%	0.857	S	S	*	*			trans	69	148.1	138.6	-63.3	169.4	173	174.7	-2	116.8
673	K	36.7	Very low	35.6	Very low	187 Å²	187	161.1 Å²	161.1	81%	0.813	85%	0.853	S	S	*	*			cis	-156.3	138.7	5	-125.9	170.3	-175.7	178.9	0	108.7
674	N	32	Very low	35.5	Very low	167 Å²	167	158.8 Å²	158.8	89%	0.893	84%	0.843	S	S	*	*			trans	-89.1	144.2	170.1	-91.8	-29.4	0	0	0	111.8
675	R	37.8	Very low	35	Very low	254 Å²	254	155.7 Å²	155.7	96%	0.958	84%	0.836	S	S	*	*			trans	-154.2	159.3	151.7	-114.7	174.5	-171.3	-164.8	0.2	112.3
676	K	36.5	Very low	34.9	Very low	212 Å²	212	158.7 Å²	158.7	92%	0.922	83%	0.834	S	S	*	*			trans	-82.9	161.3	-158.3	-64.2	-179.6	177.2	-178.4	0	114.4
677	A	31.5	Very low	34.8	Very low	98 Å²	98	159 Å²	159	81%	0.81	83%	0.829	S	S	*	*			trans	-72.9	162.7	179.1	0	0	0	0	0	115
678	K	35.1	Very low	34.3	Very low	210 Å²	210	158.6 Å²	158.6	91%	0.913	83%	0.827	S	S	*	*			trans	-148.3	147.7	149.4	-112.3	-174.1	177.8	-173.5	0	109.2
679	T	31.3	Very low	34.1	Very low	139 Å²	139	164.2 Å²	164.2	85%	0.853	83%	0.829	S	S	*	*			trans	-106	130.5	-176.3	34.4	0	0	0	0	111.9
680	V	37.6	Very low	34.2	Very low	150 Å²	150	161.5 Å²	161.5	91%	0.909	82%	0.819	S	S	*	*			trans	-147.4	144.7	158.2	-174.8	0	0	0	0	107.1
681	A	31.9	Very low	33.9	Very low	99 Å²	99	160.9 Å²	160.9	82%	0.818	81%	0.807	S	S	*	*			trans	-109.4	136.7	179.8	0	0	0	0	0	111.9
682	A	35	Very low	33.9	Very low	101 Å²	101	161.4 Å²	161.4	84%	0.835	81%	0.811	S	S	*	*			trans	-156.5	85.2	173	0	0	0	0	0	112.5
683	D	34.7	Very low	34	Very low	129 Å²	129	156.9 Å²	156.9	69%	0.69	80%	0.797	S	S	*	*			trans	12.3	156.7	143.9	-158.5	17.5	0	0	0	123.7
684	K	34.5	Very low	33.9	Very low	153 Å²	153	153.7 Å²	153.7	67%	0.665	79%	0.785	S	S	*	*			trans	85.3	97.9	159.4	-75.3	143.6	-178.9	132.9	0	123.3
685	K	31.8	Very low	34.1	Very low	184 Å²	184	151 Å²	151	80%	0.8	77%	0.77	S	S	*	*				86.1	139.2	120	-73.9	-179.3	176.3	177.6	0	123
686	K	31.7	Very low	34	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	75%	0.754	S	S	*	*			trans	75.4	137.1	159.2	-72.1	175.8	-179.5	178.7	0	117.6
687	K	30.5	Very low	34.1	Very low	175 Å²	175	137.6 Å²	137.6	76%	0.761	73%	0.729	S	S	*	*			cis	-160.5	145.6	-14.6	-141.8	-174.2	178.9	-171.7	0	111.5
688	N	29.5	Very low	34.3	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	71%	0.713	S	S	*	*			trans	37.2	105.2	158.6	-64.5	14.4	0	0	0	121.1
689	R	32.1	Very low	34.4	Very low	251 Å²	251	130 Å²	130	95%	0.947	68%	0.683	S	S	*	*	S	Bend	trans	-155	-10.3	138.8	-137.9	172.4	178.7	165.3	0.4	118.2
690	E	35.2	Very low	34.9	Very low	148 Å²	148	128.3 Å²	128.3	69%	0.692	67%	0.668	S	S	*	*	S	Bend	trans	-100.4	-17	-167.8	-62.5	-170.5	114	0	0	116.9	S692 K693	E690-S692 VanDerWaalsContact C-N 3.31Å; E690-S692 PolarHBondContact O-N 3.4Å; E690-S692 VanDerWaalsContact O-N 3.09Å; E690-K693 PolarHBondContact O-N 3.12Å
691	A	31.5	Very low	35.1	Very low	64 Å²	64	127.1 Å²	127.1	53%	0.529	66%	0.655	S	S	.	*	H	α-helix	trans	-51.8	-40.9	-168.8	0	0	0	0	0	115.1	K693 Q694 I695	A691-K693 PolarHBondContact O-N 3.39Å; A691-Q694 PolarHBondContact O-N 2.9Å; A691-I695 WeakPolarHBondContact O-CG1 3.4Å; A691-I695 PolarHBondContact O-N 3.3Å
692	S	38.8	Very low	35.3	Very low	113 Å²	113	128 Å²	128	79%	0.79	64%	0.643	S	S	*	*	H	α-helix	trans	-66.3	-11	-173.9	-172.1	0	0	0	0	115.1	E690	E690-S692 VanDerWaalsContact C-N 3.31Å; E690-S692 PolarHBondContact O-N 3.4Å; E690-S692 VanDerWaalsContact O-N 3.09Å
693	K	39.2	Very low	35.6	Very low	128 Å²	128	129.3 Å²	129.3	56%	0.557	63%	0.632	S	S	*	*	H	α-helix	trans	-103.5	-26.1	177.5	-67.3	-175.7	-177.6	-176.8	0	113.8	E690 A691 A697 Y846	E690-K693 PolarHBondContact O-N 3.12Å; A691-K693 PolarHBondContact O-N 3.39Å; K693-A697 WeakPolarHBondContact O-CB 3.36Å; K693-Y846 WeakPolarHBondContact CE-O 3.16Å; K693-Y846 PolarHBondContact NZ-O 2.92Å; K693-Y846 VanDerWaalsContact NZ-O 3.16Å
694	Q	34.2	Very low	35.8	Very low	120 Å²	120	126.5 Å²	126.5	56%	0.561	63%	0.634	S	S	*	*	H	α-helix	trans	-78.4	-41.2	-179.8	-77	173.4	-30.1	0	0	111.2	A691 A697 L698	A691-Q694 PolarHBondContact O-N 2.9Å; Q694-A697 PolarHBondContact O-N 3.44Å; Q694-L698 WeakPolarHBondContact O-CB 3.46Å; Q694-L698 PolarHBondContact O-N 3.45Å
695	I	35	Very low	35.6	Very low	112 Å²	112	130.1 Å²	130.1	57%	0.574	64%	0.643	S	S	*	*	H	α-helix	trans	-56	-62.1	-174.8	-64	165.7	0	0	0	111.9	A691 A697 L698 E699	A691-I695 WeakPolarHBondContact O-CG1 3.4Å; A691-I695 PolarHBondContact O-N 3.3Å; I695-A697 PolarHBondContact O-N 3.07Å; I695-L698 PolarHBondContact O-N 3.32Å; I695-E699 PolarHBondContact O-N 2.69Å
696	H	36.5	Very low	35.7	Very low	134 Å²	134	126.8 Å²	126.8	62%	0.62	64%	0.638	S	S	*	*	H	α-helix	trans	-69.7	-16.3	-179.9	-108.2	-12.6	0	0	0	114.3	E699 N700	H696-E699 IonicContact CE1-OE2 2.68Å; H696-E699 IonicContact ND1-OE2 2.71Å; H696-E699 PolarHBondContact ND1-OE2 2.69Å; H696-N700 PolarHBondContact O-ND2 3.39Å
697	A	38.6	Very low	35.8	Very low	49 Å²	49	124 Å²	124	41%	0.405	64%	0.637	S	S	.	*	H	α-helix	trans	-85.2	-27.5	174.5	0	0	0	0	0	112.8	K693 Q694 I695 I701	K693-A697 WeakPolarHBondContact O-CB 3.36Å; Q694-A697 PolarHBondContact O-N 3.44Å; I695-A697 PolarHBondContact O-N 3.07Å; A697-I701 WeakPolarHBondContact O-CD1 3.38Å; A697-I701 WeakPolarHBondContact O-CG1 3.28Å
698	L	36.4	Very low	35.9	Very low	88 Å²	88	125.7 Å²	125.7	46%	0.461	64%	0.644	S	S	.	*	H	α-helix	trans	-76	-46.3	174	-111.3	69.1	0	0	0	111.7	Q694 I695 N700 I701 E702	Q694-L698 WeakPolarHBondContact O-CB 3.46Å; Q694-L698 PolarHBondContact O-N 3.45Å; I695-L698 PolarHBondContact O-N 3.32Å; L698-N700 PolarHBondContact O-N 2.99Å; L698-I701 CarbonylContact O-C 3.58Å; L698-I701 WeakPolarHBondContact O-CA 3.07Å; L698-I701 PolarHBondContact O-N 2.8Å; L698-E702 HydrophobicContact CG-CG 4.46Å; L698-E702 PolarHBondContact O-N 2.63Å
699	E	37.2	Very low	36.1	Very low	61 Å²	61	122.2 Å²	122.2	29%	0.285	64%	0.642	S	S	.	*	H	α-helix	trans	-51.9	-45.8	179.1	-73.3	-173.2	104.5	0	0	111.9	I695 H696 I701 E703 K722	I695-E699 PolarHBondContact O-N 2.69Å; H696-E699 IonicContact CE1-OE2 2.68Å; H696-E699 IonicContact ND1-OE2 2.71Å; H696-E699 PolarHBondContact ND1-OE2 2.69Å; E699-I701 PolarHBondContact O-N 2.99Å; E699-E703 PolarHBondContact O-N 3.19Å; E699-K722 IonicContact OE1-NZ 2.74Å; E699-K722 PolarHBondContact OE1-NZ 3.4Å
700	N	40.5	Very low	36.6	Very low	104 Å²	104	114.8 Å²	114.8	56%	0.556	63%	0.629	S	S	*	*	H	α-helix	trans	-71.3	5.9	178.1	-77.6	-87.6	0	0	0	114.9	H696 L698	H696-N700 PolarHBondContact O-ND2 3.39Å; L698-N700 PolarHBondContact O-N 2.99Å
701	I	43.3	Very low	37.1	Very low	124 Å²	124	112.5 Å²	112.5	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-129.6	-35.8	-178.6	-66.2	179.3	0	0	0	111.3	A697 L698 E699 G704	A697-I701 WeakPolarHBondContact O-CD1 3.38Å; A697-I701 WeakPolarHBondContact O-CG1 3.28Å; L698-I701 CarbonylContact O-C 3.58Å; L698-I701 WeakPolarHBondContact O-CA 3.07Å; L698-I701 PolarHBondContact O-N 2.8Å; E699-I701 PolarHBondContact O-N 2.99Å; I701-G704 PolarHBondContact O-N 2.84Å
702	E	35.6	Very low	37.7	Very low	117 Å²	117	113.8 Å²	113.8	55%	0.547	62%	0.622	S	S	.	*	H	α-helix	trans	-73.6	-36.8	179.2	-69.1	-177.9	124	0	0	112.4	L698 G704 R705	L698-E702 HydrophobicContact CG-CG 4.46Å; L698-E702 PolarHBondContact O-N 2.63Å; E702-G704 PolarHBondContact O-N 3.09Å; E702-R705 PolarHBondContact O-N 3.47Å
703	E	40.6	Very low	38	Very low	129 Å²	129	115.5 Å²	115.5	60%	0.603	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-11.1	172.9	-68.3	179.1	-176.5	0	0	112.8	E699 K722	E699-E703 PolarHBondContact O-N 3.19Å; E703-K722 IonicContact OE1-NZ 2.71Å; E703-K722 PolarHBondContact OE1-NZ 3.14Å
704	G	39.3	Very low	38.1	Very low	71 Å²	71	115.9 Å²	115.9	73%	0.732	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-2.3	178.2	0	0	0	0	0	116.6	I701 E702	I701-G704 PolarHBondContact O-N 2.84Å; E702-G704 PolarHBondContact O-N 3.09Å
705	R	30.2	Very low	39.3	Very low	228 Å²	228	113.4 Å²	113.4	86%	0.86	62%	0.617	S	S	*	*			trans	-156.2	69.6	-177.4	-166.8	-180	-82.7	167	-8.3	114.1	E702	E702-R705 PolarHBondContact O-N 3.47Å
706	V	34.1	Very low	40.8	Very low	114 Å²	114	111.9 Å²	111.9	69%	0.691	61%	0.613	S	S	*	*			trans	-120.3	150.9	165.8	-178.4	0	0	0	0	110.1
707	T	32.8	Very low	42.3	Very low	134 Å²	134	111 Å²	111	82%	0.822	61%	0.609	S	S	*	*			trans	-69.8	156.4	-168	3.8	0	0	0	0	114.6
708	K	32.6	Very low	43.9	Very low	210 Å²	210	111 Å²	111	91%	0.913	61%	0.61	S	S	*	*	S	Bend	trans	-59.8	142.6	-180	-62.7	179.9	176.5	-176.7	0	112.8
709	G	34.1	Very low	45.8	Very low	68 Å²	68	111.2 Å²	111.2	70%	0.701	61%	0.609	S	S	*	*	S	Bend	trans	89.6	48.9	143.6	0	0	0	0	0	118.4
710	S	43.1	Very low	47.7	Very low	95 Å²	95	112.8 Å²	112.8	66%	0.664	62%	0.617	S	S	*	*	S	Bend	trans	-175.8	-50.7	155.1	25.9	0	0	0	0	111.7	V712	S710-V712 PolarHBondContact O-N 3.24Å
711	N	45.1	Very low	49.6	Very low	100 Å²	100	112.7 Å²	112.7	54%	0.535	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	13.5	-168.7	-61.5	1.6	0	0	0	115.7	S715	N711-S715 PolarHBondContact O-N 3.19Å
712	V	44.6	Very low	51.6	Low	91 Å²	91	111.3 Å²	111.3	55%	0.552	60%	0.603	S	S	*	*	H	α-helix	trans	-68.5	-46.5	-172.9	-178.2	0	0	0	0	111	S710 Q714 S715 T716	S710-V712 PolarHBondContact O-N 3.24Å; V712-Q714 PolarHBondContact O-N 3.02Å; V712-S715 WeakPolarHBondContact O-CB 3.28Å; V712-S715 PolarHBondContact O-N 2.74Å; V712-S715 PolarHBondContact O-OG 3.07Å; V712-T716 PolarHBondContact O-N 3.07Å; V712-T716 PolarHBondContact O-OG1 3.21Å
713	E	44.9	Very low	54	Low	149 Å²	149	106.8 Å²	106.8	70%	0.696	58%	0.583	S	S	*	*	H	α-helix	trans	-61.4	-49.2	-176.5	-64.7	174.6	156.9	0	0	111.5	S715 T716 E717	E713-S715 PolarHBondContact O-N 3.34Å; E713-T716 WeakPolarHBondContact CA-OG1 3.48Å; E713-T716 PolarHBondContact O-N 2.98Å; E713-T716 PolarHBondContact O-OG1 2.97Å; E713-E717 WeakPolarHBondContact O-CG 3.48Å; E713-E717 PolarHBondContact O-N 3.26Å
714	Q	42.2	Very low	56.2	Low	135 Å²	135	103.9 Å²	103.9	63%	0.631	57%	0.569	S	S	*	*	H	α-helix	trans	-57.7	-35.4	173.6	-67.6	-176.9	-6.9	0	0	112.7	V712 A718	V712-Q714 PolarHBondContact O-N 3.02Å; Q714-A718 VanDerWaalsContact O-CB 3.23Å; Q714-A718 WeakPolarHBondContact O-CB 3.26Å; Q714-A718 PolarHBondContact O-N 2.93Å
715	S	58.2	Low	58.5	Low	69 Å²	69	107.4 Å²	107.4	48%	0.483	57%	0.565	S	S	.	*	H	α-helix	trans	-69.6	-38.2	176.1	78.3	0	0	0	0	112.3	N711 V712 E713 M719	N711-S715 PolarHBondContact O-N 3.19Å; V712-S715 WeakPolarHBondContact O-CB 3.28Å; V712-S715 PolarHBondContact O-N 2.74Å; V712-S715 PolarHBondContact O-OG 3.07Å; E713-S715 PolarHBondContact O-N 3.34Å; S715-M719 WeakPolarHBondContact O-CB 3.39Å; S715-M719 PolarHBondContact O-N 2.83Å
716	T	67.3	Low	61.3	Low	79 Å²	79	98.9 Å²	98.9	49%	0.485	53%	0.534	S	S	.	.	H	α-helix	trans	-71.2	-39.1	176.4	42.7	0	0	0	0	112.8	V712 E713 M719 Q720	V712-T716 PolarHBondContact O-N 3.07Å; V712-T716 PolarHBondContact O-OG1 3.21Å; E713-T716 WeakPolarHBondContact CA-OG1 3.48Å; E713-T716 PolarHBondContact O-N 2.98Å; E713-T716 PolarHBondContact O-OG1 2.97Å; T716-M719 PolarHBondContact O-N 3.06Å; T716-Q720 WeakPolarHBondContact O-CB 3.4Å; T716-Q720 PolarHBondContact O-N 2.91Å
717	E	67.6	Low	64	Low	116 Å²	116	93.5 Å²	93.5	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-63.5	-48	173.1	-71	-178.5	158.8	0	0	111.2	E713 M719 Q720 M721	E713-E717 WeakPolarHBondContact O-CG 3.48Å; E713-E717 PolarHBondContact O-N 3.26Å; E717-M719 VanDerWaalsContact C-N 3.31Å; E717-M719 PolarHBondContact O-N 2.88Å; E717-Q720 PolarHBondContact O-N 2.94Å; E717-Q720 VanDerWaalsContact O-N 3.13Å; E717-M721 WeakPolarHBondContact O-CG 3.24Å; E717-M721 PolarHBondContact O-N 3.2Å
718	A	71.6	Confident	66.7	Low	50 Å²	50	87.2 Å²	87.2	41%	0.413	46%	0.463	S	S	.	.	H	α-helix	trans	-60.6	-40.2	176.8	0	0	0	0	0	112	Q714 K722	Q714-A718 VanDerWaalsContact O-CB 3.23Å; Q714-A718 WeakPolarHBondContact O-CB 3.26Å; Q714-A718 PolarHBondContact O-N 2.93Å; A718-K722 WeakPolarHBondContact O-CB 3.25Å; A718-K722 WeakPolarHBondContact O-CG 3.32Å; A718-K722 PolarHBondContact O-N 2.88Å
719	M	76.6	Confident	69.2	Low	92 Å²	92	84.3 Å²	84.3	45%	0.453	45%	0.452	S	S	.	.	H	α-helix	trans	-64.1	-41.3	174.2	-167.8	-165.9	-164.9	0	0	111.8	S715 T716 E717 K722 L723	S715-M719 WeakPolarHBondContact O-CB 3.39Å; S715-M719 PolarHBondContact O-N 2.83Å; T716-M719 PolarHBondContact O-N 3.06Å; E717-M719 VanDerWaalsContact C-N 3.31Å; E717-M719 PolarHBondContact O-N 2.88Å; M719-K722 PolarHBondContact O-N 3.45Å; M719-L723 HydrophobicContact CG-CD1 4.16Å; M719-L723 VanDerWaalsContact O-CG 3.31Å; M719-L723 WeakPolarHBondContact O-CG 3.37Å; M719-L723 PolarHBondContact O-N 3.25Å
720	Q	78	Confident	71.7	Confident	94 Å²	94	81 Å²	81	44%	0.439	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-47.1	176.6	177.2	163.7	-27.3	0	0	111.6	T716 E717 K722 L723 E724	T716-Q720 WeakPolarHBondContact O-CB 3.4Å; T716-Q720 PolarHBondContact O-N 2.91Å; E717-Q720 PolarHBondContact O-N 2.94Å; E717-Q720 VanDerWaalsContact O-N 3.13Å; Q720-K722 VanDerWaalsContact C-N 3.31Å; Q720-K722 PolarHBondContact O-N 3.33Å; Q720-L723 CarbonylContact O-C 3.38Å; Q720-L723 WeakPolarHBondContact O-CA 3.15Å; Q720-L723 PolarHBondContact O-N 3.29Å; Q720-E724 HydrophobicContact CG-CG 4.29Å; Q720-E724 WeakPolarHBondContact CG-OE1 3.38Å; Q720-E724 PolarHBondContact NE2-OE1 3.06Å; Q720-E724 WeakPolarHBondContact O-CG 3.37Å; Q720-E724 PolarHBondContact O-N 3.06Å
721	M	80.5	Confident	73.7	Confident	102 Å²	102	80.1 Å²	80.1	50%	0.502	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-35.3	175.3	-67	-175.8	-163.5	0	0	112.7	E717 L723 K725	E717-M721 WeakPolarHBondContact O-CG 3.24Å; E717-M721 PolarHBondContact O-N 3.2Å; M721-L723 VanDerWaalsContact C-N 3.33Å; M721-K725 WeakPolarHBondContact O-CB 3.48Å; M721-K725 VanDerWaalsContact O-CG 3.28Å; M721-K725 WeakPolarHBondContact O-CG 3.44Å; M721-K725 PolarHBondContact O-N 3.41Å; M721-K725 VanDerWaalsContact O-N 3.14Å
722	K	85.2	Confident	75.7	Confident	94 Å²	94	76.7 Å²	76.7	41%	0.409	39%	0.393	S	S	.	.	H	α-helix	trans	-60.9	-42.7	170	-77.7	-176.2	-170.4	-174.4	0	110.7	E699 E703 A718 M719 Q720 K726	E699-K722 IonicContact OE1-NZ 2.74Å; E699-K722 PolarHBondContact OE1-NZ 3.4Å; E703-K722 IonicContact OE1-NZ 2.71Å; E703-K722 PolarHBondContact OE1-NZ 3.14Å; A718-K722 WeakPolarHBondContact O-CB 3.25Å; A718-K722 WeakPolarHBondContact O-CG 3.32Å; A718-K722 PolarHBondContact O-N 2.88Å; M719-K722 PolarHBondContact O-N 3.45Å; Q720-K722 VanDerWaalsContact C-N 3.31Å; Q720-K722 PolarHBondContact O-N 3.33Å; K722-K726 WeakPolarHBondContact O-CB 3.41Å; K722-K726 PolarHBondContact O-N 3.36Å
723	L	85.8	Confident	77.8	Confident	23 Å²	23	72.3 Å²	72.3	12%	0.12	37%	0.367	C	S	.	.	H	α-helix	trans	-75.3	-34.9	-177.2	-72.9	165.8	0	0	0	113.7	M719 Q720 M721 K726 F727 V734	M719-L723 HydrophobicContact CG-CD1 4.16Å; M719-L723 VanDerWaalsContact O-CG 3.31Å; M719-L723 WeakPolarHBondContact O-CG 3.37Å; M719-L723 PolarHBondContact O-N 3.25Å; Q720-L723 CarbonylContact O-C 3.38Å; Q720-L723 WeakPolarHBondContact O-CA 3.15Å; Q720-L723 PolarHBondContact O-N 3.29Å; M721-L723 VanDerWaalsContact C-N 3.33Å; L723-K726 PolarHBondContact O-N 2.92Å; L723-F727 HydrophobicContact CD2-CD2 4.01Å; L723-F727 HydrophobicContact CD2-CE2 3.75Å; L723-F727 WeakPolarHBondContact O-CB 3.43Å; L723-F727 PolarHBondContact O-N 2.89Å; L723-V734 HydrophobicContact CB-CG1 4.24Å
724	E	86.2	Confident	79.8	Confident	67 Å²	67	65.6 Å²	65.6	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-67.2	-42.3	172.9	-71.7	166	-178.8	0	0	111.1	Q720 K726 G728	Q720-E724 HydrophobicContact CG-CG 4.29Å; Q720-E724 WeakPolarHBondContact CG-OE1 3.38Å; Q720-E724 PolarHBondContact NE2-OE1 3.06Å; Q720-E724 WeakPolarHBondContact O-CG 3.37Å; Q720-E724 PolarHBondContact O-N 3.06Å; E724-K726 VanDerWaalsContact C-N 3.27Å; E724-K726 PolarHBondContact O-N 3.42Å; E724-G728 CarbonylContact O-C 3.56Å; E724-G728 VanDerWaalsContact O-CA 3.27Å; E724-G728 WeakPolarHBondContact O-CA 3.47Å; E724-G728 PolarHBondContact O-N 2.9Å
725	K	88.6	Confident	81.9	Confident	146 Å²	146	60.8 Å²	60.8	64%	0.635	32%	0.319	S	S	*	.	H	α-helix	trans	-61.8	-35	169.4	-71.9	171.2	-176.1	173.3	0	112.1	M721 T769 E770	M721-K725 WeakPolarHBondContact O-CB 3.48Å; M721-K725 VanDerWaalsContact O-CG 3.28Å; M721-K725 WeakPolarHBondContact O-CG 3.44Å; M721-K725 PolarHBondContact O-N 3.41Å; M721-K725 VanDerWaalsContact O-N 3.14Å; K725-T769 WeakPolarHBondContact O-CA 3.44Å; K725-E770 PolarHBondContact O-N 2.91Å
726	K	88.8	Confident	83.2	Confident	49 Å²	49	57.8 Å²	57.8	21%	0.213	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-49.3	178.7	-168	178.3	-178	-172	0	112.3	Y643 G644 K722 L723 E724 I775	Y643-K726 WeakPolarHBondContact O-CE 3.44Å; Y643-K726 PolarHBondContact O-NZ 2.72Å; Y643-K726 VanDerWaalsContact O-NZ 3.1Å; G644-K726 PolarHBondContact O-NZ 3.1Å; K722-K726 WeakPolarHBondContact O-CB 3.41Å; K722-K726 PolarHBondContact O-N 3.36Å; L723-K726 PolarHBondContact O-N 2.92Å; E724-K726 VanDerWaalsContact C-N 3.27Å; E724-K726 PolarHBondContact O-N 3.42Å; K726-I775 HydrophobicContact CD-CD1 4.07Å; K726-I775 VanDerWaalsContact CE-CD1 3.47Å; K726-I775 HydrophobicContact CG-CD1 3.35Å; K726-I775 VanDerWaalsContact O-CD1 3.23Å; K726-I775 WeakPolarHBondContact O-CD1 3.38Å
727	F	90.7	Very high	84.1	Confident	1 Å²	1	54 Å²	54	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-111.1	-9.2	-165.5	-70.3	-60	0	0	0	115.6	Y643 F645 L723 F733 V734 A737 Y765 W771 I775	Y643-F727 HydrophobicContact CD1-CE1 4.18Å; Y643-F727 HydrophobicContact CG-CE1 4Å; Y643-F727 HydrophobicContact CG-CZ 4.44Å; F645-F727 AromaticContact CE2-CZ 3.87Å; F645-F727 HydrophobicContact CE2-CZ 3.87Å; F645-F727 HydrophobicContact CZ-CE2 4.2Å; F645-F727 AromaticContact CZ-CZ 3.95Å; F645-F727 HydrophobicContact CZ-CZ 3.95Å; L723-F727 HydrophobicContact CD2-CD2 4.01Å; L723-F727 HydrophobicContact CD2-CE2 3.75Å; L723-F727 WeakPolarHBondContact O-CB 3.43Å; L723-F727 PolarHBondContact O-N 2.89Å; F727-F733 HydrophobicContact CB-CD1 4.24Å; F727-F733 HydrophobicContact CB-CE1 4Å; F727-F733 HydrophobicContact CD1-CE1 4.14Å; F727-F733 HydrophobicContact CG-CE1 4.35Å; F727-V734 HydrophobicContact CB-CG2 4.2Å; F727-A737 HydrophobicContact CE2-CB 4.48Å; F727-Y765 WeakPolarHBondContact O-CE1 3.4Å; F727-Y765 PolarHBondContact O-OH 3.3Å; F727-W771 PolarHBondContact O-NE1 2.98Å; F727-I775 HydrophobicContact CD1-CD1 4.37Å; F727-I775 HydrophobicContact CE1-CD1 4.29Å
728	G	88.9	Confident	84.9	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.01	27%	0.271	C	S	.	.			trans	97.5	-178.3	-174.9	0	0	0	0	0	113.5	E724 V734 Y765	E724-G728 CarbonylContact O-C 3.56Å; E724-G728 VanDerWaalsContact O-CA 3.27Å; E724-G728 WeakPolarHBondContact O-CA 3.47Å; E724-G728 PolarHBondContact O-N 2.9Å; G728-V734 WeakPolarHBondContact O-CG2 3.43Å; G728-Y765 VanDerWaalsContact C-OH 3.25Å; G728-Y765 WeakPolarHBondContact CA-OH 3.49Å
729	Q	85.6	Confident	85.4	Confident	149 Å²	149	54.8 Å²	54.8	70%	0.696	27%	0.265	S	S	*	.	S	Bend	trans	-86.2	-10.8	-162.6	-61	176	13.3	0	0	115.4	P731 Y765	Q729-P731 VanDerWaalsContact O-CD 3.3Å; Q729-P731 WeakPolarHBondContact O-CD 3.38Å; Q729-Y765 PolarHBondContact N-OH 2.79Å
730	S	86.9	Confident	85.5	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.			trans	-72.3	116.3	-180	162.8	0	0	0	0	110.4	V732 F733 V734 E756 Y765	S730-V732 PolarHBondContact O-N 3.11Å; S730-V732 PolarHBondContact OG-N 3.38Å; S730-F733 PolarHBondContact O-N 3.4Å; S730-F733 WeakPolarHBondContact OG-CB 3.36Å; S730-F733 PolarHBondContact OG-N 3.41Å; S730-V734 VanDerWaalsContact O-CG2 3.32Å; S730-V734 WeakPolarHBondContact O-CG2 3.16Å; S730-V734 PolarHBondContact O-N 3.25Å; S730-E756 WeakPolarHBondContact CB-OE2 3.42Å; S730-E756 PolarHBondContact OG-OE2 3.29Å; S730-Y765 PolarHBondContact N-OH 2.96Å
731	P	84.4	Confident	85.4	Confident	75 Å²	75	60.5 Å²	60.5	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-27.3	178.6	29.9	-34.5	0	0	0	111.4	Q729 A735	Q729-P731 VanDerWaalsContact O-CD 3.3Å; Q729-P731 WeakPolarHBondContact O-CD 3.38Å; P731-A735 VanDerWaalsContact O-CB 3.27Å; P731-A735 WeakPolarHBondContact O-CB 3.43Å; P731-A735 PolarHBondContact O-N 3.01Å
732	V	86.5	Confident	85.2	Confident	28 Å²	28	56.4 Å²	56.4	17%	0.17	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-44.2	175.6	178.8	0	0	0	0	110.5	V551 S730 A735 S736 L753 E756	V551-V732 HydrophobicContact CG1-CG1 4.25Å; S730-V732 PolarHBondContact O-N 3.11Å; S730-V732 PolarHBondContact OG-N 3.38Å; V732-A735 PolarHBondContact O-N 3.46Å; V732-S736 PolarHBondContact O-N 2.7Å; V732-L753 HydrophobicContact CG1-CD2 4.09Å; V732-E756 HydrophobicContact CB-CG 4.21Å; V732-E756 VanDerWaalsContact CG2-CD 3.5Å; V732-E756 HydrophobicContact CG2-CG 3.86Å
733	F	89	Confident	84.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-41.6	175.6	-177.5	-97.8	0	0	0	112.6	R547 V551 Y643 F727 S730 A735 S736 A737 V760 W771	R547-F733 HydrophobicContact CB-CE2 4.29Å; R547-F733 HydrophobicContact CG-CE2 4.3Å; R547-F733 HydrophobicContact CG-CZ 4.17Å; V551-F733 HydrophobicContact CG2-CB 4.24Å; V551-F733 HydrophobicContact CG2-CD2 4.3Å; Y643-F733 HydrophobicContact CE1-CE2 4.31Å; Y643-F733 AromaticContact CE1-CZ 3.67Å; Y643-F733 HydrophobicContact CE1-CZ 3.67Å; Y643-F733 AromaticContact CZ-CZ 3.81Å; Y643-F733 WeakPolarHBondContact OH-CE2 3.43Å; F727-F733 HydrophobicContact CB-CD1 4.24Å; F727-F733 HydrophobicContact CB-CE1 4Å; F727-F733 HydrophobicContact CD1-CE1 4.14Å; F727-F733 HydrophobicContact CG-CE1 4.35Å; S730-F733 PolarHBondContact O-N 3.4Å; S730-F733 WeakPolarHBondContact OG-CB 3.36Å; S730-F733 PolarHBondContact OG-N 3.41Å; F733-A735 PolarHBondContact O-N 2.89Å; F733-S736 PolarHBondContact O-N 2.94Å; F733-S736 PolarHBondContact O-OG 3.26Å; F733-A737 HydrophobicContact CE1-CB 4.44Å; F733-A737 VanDerWaalsContact O-CB 3.29Å; F733-A737 WeakPolarHBondContact O-CB 3.16Å; F733-A737 PolarHBondContact O-N 3.27Å; F733-V760 HydrophobicContact CB-CG1 4.2Å; F733-W771 AromaticContact CE1-CZ2 3.73Å; F733-W771 HydrophobicContact CE1-CZ2 3.73Å; F733-W771 HydrophobicContact CZ-CH2 4.21Å; F733-W771 AromaticContact CZ-CZ2 3.66Å; F733-W771 HydrophobicContact CZ-CZ2 3.66Å
734	V	87.6	Confident	83.7	Confident	8 Å²	8	57.7 Å²	57.7	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-35.3	174.4	172.2	0	0	0	0	111.4	L723 F727 G728 S730 R738	L723-V734 HydrophobicContact CB-CG1 4.24Å; F727-V734 HydrophobicContact CB-CG2 4.2Å; G728-V734 WeakPolarHBondContact O-CG2 3.43Å; S730-V734 VanDerWaalsContact O-CG2 3.32Å; S730-V734 WeakPolarHBondContact O-CG2 3.16Å; S730-V734 PolarHBondContact O-N 3.25Å; V734-R738 WeakPolarHBondContact O-CG 3.42Å
735	A	86	Confident	82.4	Confident	33 Å²	33	57.2 Å²	57.2	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-71.9	-44.9	173.5	0	0	0	0	0	112.5	P731 V732 F733 A737 R738	P731-A735 VanDerWaalsContact O-CB 3.27Å; P731-A735 WeakPolarHBondContact O-CB 3.43Å; P731-A735 PolarHBondContact O-N 3.01Å; V732-A735 PolarHBondContact O-N 3.46Å; F733-A735 PolarHBondContact O-N 2.89Å; A735-A737 VanDerWaalsContact C-N 3.32Å; A735-A737 PolarHBondContact O-N 3.08Å; A735-R738 PolarHBondContact O-N 3.09Å
736	S	86.1	Confident	81	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-34.1	-178.9	78.5	0	0	0	0	112.6	G550 N554 V732 F733 R738 M739	G550-S736 WeakPolarHBondContact O-CB 3.31Å; G550-S736 PolarHBondContact O-OG 2.87Å; N554-S736 PolarHBondContact ND2-O 3.4Å; N554-S736 VanDerWaalsContact ND2-O 3.08Å; V732-S736 PolarHBondContact O-N 2.7Å; F733-S736 PolarHBondContact O-N 2.94Å; F733-S736 PolarHBondContact O-OG 3.26Å; S736-R738 VanDerWaalsContact C-N 3.27Å; S736-R738 PolarHBondContact O-N 2.82Å; S736-M739 PolarHBondContact O-N 2.97Å
737	A	85.6	Confident	79.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-26.1	177	0	0	0	0	0	114.1	Q640 Y643 F727 F733 A735 M739	Q640-A737 PolarHBondContact NE2-O 3.03Å; Q640-A737 PolarHBondContact OE1-O 3.37Å; Y643-A737 HydrophobicContact CD2-CB 4.06Å; Y643-A737 HydrophobicContact CE2-CB 3.68Å; F727-A737 HydrophobicContact CE2-CB 4.48Å; F733-A737 HydrophobicContact CE1-CB 4.44Å; F733-A737 VanDerWaalsContact O-CB 3.29Å; F733-A737 WeakPolarHBondContact O-CB 3.16Å; F733-A737 PolarHBondContact O-N 3.27Å; A735-A737 VanDerWaalsContact C-N 3.32Å; A735-A737 PolarHBondContact O-N 3.08Å; A737-M739 VanDerWaalsContact C-N 3.31Å; A737-M739 PolarHBondContact O-N 3.22Å
738	R	83.4	Confident	78.3	Confident	124 Å²	124	66.2 Å²	66.2	47%	0.468	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.2	178.3	-67.4	179.2	-164.3	-158.5	7.1	114	V734 A735 S736 E740	V734-R738 WeakPolarHBondContact O-CG 3.42Å; A735-R738 PolarHBondContact O-N 3.09Å; S736-R738 VanDerWaalsContact C-N 3.27Å; S736-R738 PolarHBondContact O-N 2.82Å; R738-E740 PolarHBondContact O-N 3.1Å
739	M	83.4	Confident	77.5	Confident	58 Å²	58	69.6 Å²	69.6	29%	0.286	38%	0.376	S	S	.	.			trans	-87.1	112.3	-174.8	-65.5	-169.7	-66.1	0	0	112	Q640 S736 A737 N741 G742 G743 A745	Q640-M739 PolarHBondContact NE2-O 3.41Å; S736-M739 PolarHBondContact O-N 2.97Å; A737-M739 VanDerWaalsContact C-N 3.31Å; A737-M739 PolarHBondContact O-N 3.22Å; M739-N741 VanDerWaalsContact C-N 3.34Å; M739-N741 PolarHBondContact O-N 3.04Å; M739-G742 PolarHBondContact O-N 2.86Å; M739-G743 WeakPolarHBondContact CE-O 3.45Å; M739-A745 HydrophobicContact CE-CB 3.64Å; M739-A745 HydrophobicContact SD-CB 4.22Å
740	E	78.2	Confident	77	Confident	159 Å²	159	64.8 Å²	64.8	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.9	-179.6	-68.5	-163	165.6	0	0	113.3	R738 G742	R738-E740 PolarHBondContact O-N 3.1Å; E740-G742 VanDerWaalsContact C-N 3.35Å
741	N	75.2	Confident	76.3	Confident	148 Å²	148	68.1 Å²	68.1	79%	0.791	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.5	-176.8	-67.9	-24.6	0	0	0	113.8	M739	M739-N741 VanDerWaalsContact C-N 3.34Å; M739-N741 PolarHBondContact O-N 3.04Å
742	G	77.7	Confident	76.2	Confident	15 Å²	15	67.3 Å²	67.3	16%	0.155	38%	0.381	C	S	.	.			trans	75.2	-162.8	-172.1	0	0	0	0	0	113.8	N554 M739 E740	N554-G742 CarbonylContact O-C 3.59Å; N554-G742 WeakPolarHBondContact O-CA 3.37Å; M739-G742 PolarHBondContact O-N 2.86Å; E740-G742 VanDerWaalsContact C-N 3.35Å
743	G	71.4	Confident	76.1	Confident	30 Å²	30	66.6 Å²	66.6	31%	0.309	38%	0.376	S	S	.	.			trans	89.9	171.5	-177.8	0	0	0	0	0	114.4	N554 M739	N554-G743 WeakPolarHBondContact CB-O 3.22Å; N554-G743 PolarHBondContact ND2-O 2.83Å; N554-G743 PolarHBondContact O-N 3.02Å; M739-G743 WeakPolarHBondContact CE-O 3.45Å
744	M	68.2	Low	75.7	Confident	114 Å²	114	66.9 Å²	66.9	56%	0.562	38%	0.377	S	S	*	.			trans	-86.7	129.6	-177.8	-63.5	-176.1	-65.5	0	0	111	M1 R746 L753	M1-M744 HydrophobicContact CE-SD 4.26Å; M744-R746 VanDerWaalsContact C-N 3.31Å; M744-R746 PolarHBondContact O-N 3.34Å; M744-L753 HydrophobicContact SD-CD1 4.4Å
745	A	57.6	Low	75.6	Confident	57 Å²	57	71.9 Å²	71.9	47%	0.471	40%	0.399	S	S	.	.	S	Bend	trans	-76.1	-15.1	-174.2	0	0	0	0	0	114.6	M739	M739-A745 HydrophobicContact CE-CB 3.64Å; M739-A745 HydrophobicContact SD-CB 4.22Å
746	R	59.7	Low	75.7	Confident	168 Å²	168	71.8 Å²	71.8	63%	0.634	39%	0.392	S	S	*	.	S	Bend	trans	-150.8	145.7	-169.8	-65.7	-177.5	175.1	173.5	-3.1	110.2	M744 A748	M744-R746 VanDerWaalsContact C-N 3.31Å; M744-R746 PolarHBondContact O-N 3.34Å; R746-A748 HydrophobicContact CB-CB 4.32Å; R746-A748 PolarHBondContact O-N 3.1Å
747	N	58.2	Low	75.9	Confident	184 Å²	184	71.5 Å²	71.5	98%	0.984	39%	0.39	S	S	*	.			trans	-75.4	54.4	164.5	-66	-5.8	0	0	0	110.4
748	A	65.6	Low	76.1	Confident	33 Å²	33	71.6 Å²	71.6	27%	0.273	39%	0.391	S	S	.	.			trans	-74	148.2	177.5	0	0	0	0	0	110.4	R746 L753	R746-A748 HydrophobicContact CB-CB 4.32Å; R746-A748 PolarHBondContact O-N 3.1Å; A748-L753 HydrophobicContact CB-CD1 4.08Å; A748-L753 HydrophobicContact CB-CD2 3.96Å; A748-L753 HydrophobicContact CB-CG 3.81Å
749	S	71.3	Confident	76.4	Confident	72 Å²	72	67.1 Å²	67.1	50%	0.503	38%	0.376	S	S	.	.			trans	-62.8	146.2	178.7	62.7	0	0	0	0	110.9	A751 C752 L753	S749-A751 VanDerWaalsContact C-N 3.27Å; S749-A751 PolarHBondContact O-N 3.45Å; S749-C752 WeakPolarHBondContact O-CB 3.46Å; S749-C752 PolarHBondContact O-N 2.88Å; S749-C752 WeakPolarHBondContact OG-CB 3.39Å; S749-L753 PolarHBondContact O-N 3.08Å; S749-L753 VanDerWaalsContact O-N 3.15Å
750	P	74.3	Confident	76.8	Confident	48 Å²	48	64.4 Å²	64.4	31%	0.312	36%	0.362	S	S	.	.	H	α-helix	trans	-51	-44.8	179.2	-30.8	36.9	0	0	0	113.3	M1 C752 L753 L754	M1-P750 HydrophobicContact CB-CB 4.2Å; M1-P750 HydrophobicContact CG-CB 4.24Å; P750-C752 VanDerWaalsContact C-N 3.34Å; P750-C752 PolarHBondContact O-N 3.35Å; P750-L753 PolarHBondContact O-N 3.12Å; P750-L754 WeakPolarHBondContact O-CB 3.4Å; P750-L754 WeakPolarHBondContact O-CD1 3.4Å; P750-L754 VanDerWaalsContact O-CG 3.28Å; P750-L754 WeakPolarHBondContact O-CG 3.44Å; P750-L754 PolarHBondContact O-N 2.89Å
751	A	73.5	Confident	77.5	Confident	71 Å²	71	56.8 Å²	56.8	59%	0.587	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-35.9	178	0	0	0	0	0	113.5	S749 L754 K755	S749-A751 VanDerWaalsContact C-N 3.27Å; S749-A751 PolarHBondContact O-N 3.45Å; A751-L754 PolarHBondContact O-N 3.44Å; A751-K755 WeakPolarHBondContact O-CB 3.29Å; A751-K755 PolarHBondContact O-N 3.34Å
752	C	81.6	Confident	78.3	Confident	58 Å²	58	49.9 Å²	49.9	39%	0.392	29%	0.29	S	S	.	.	H	α-helix	trans	-67.9	-45	176	177.5	0	0	0	0	111.3	S749 P750 L754 K755 E756	S749-C752 WeakPolarHBondContact O-CB 3.46Å; S749-C752 PolarHBondContact O-N 2.88Å; S749-C752 WeakPolarHBondContact OG-CB 3.39Å; P750-C752 VanDerWaalsContact C-N 3.34Å; P750-C752 PolarHBondContact O-N 3.35Å; C752-L754 VanDerWaalsContact C-N 3.31Å; C752-L754 PolarHBondContact O-N 2.84Å; C752-K755 PolarHBondContact O-N 2.96Å; C752-E756 PolarHBondContact O-N 3.01Å
753	L	84	Confident	78.8	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-33.9	176.5	-67.8	170.9	0	0	0	112.3	M1 V551 V732 M744 A748 S749 P750 A757	M1-L753 HydrophobicContact CE-CB 3.64Å; M1-L753 HydrophobicContact CE-CD1 3.37Å; M1-L753 HydrophobicContact CE-CG 4.1Å; V551-L753 HydrophobicContact CG1-CB 4.46Å; V551-L753 HydrophobicContact CG1-CD2 4.14Å; V551-L753 WeakPolarHBondContact CG1-O 3.45Å; V732-L753 HydrophobicContact CG1-CD2 4.09Å; M744-L753 HydrophobicContact SD-CD1 4.4Å; A748-L753 HydrophobicContact CB-CD1 4.08Å; A748-L753 HydrophobicContact CB-CD2 3.96Å; A748-L753 HydrophobicContact CB-CG 3.81Å; S749-L753 PolarHBondContact O-N 3.08Å; S749-L753 VanDerWaalsContact O-N 3.15Å; P750-L753 PolarHBondContact O-N 3.12Å; L753-A757 VanDerWaalsContact O-CB 3.23Å; L753-A757 WeakPolarHBondContact O-CB 3.5Å; L753-A757 PolarHBondContact O-N 2.94Å
754	L	81.8	Confident	79.6	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-72.2	-35	174.8	-71.7	159.2	0	0	0	112.4	T3 I8 I502 L552 P750 A751 C752 A757 I758	T3-L754 HydrophobicContact CG2-CD1 3.9Å; T3-L754 HydrophobicContact CG2-CD2 4.49Å; I8-L754 HydrophobicContact CD1-CB 4Å; I8-L754 HydrophobicContact CD1-CD1 3.77Å; I8-L754 HydrophobicContact CD1-CD2 4.34Å; I8-L754 HydrophobicContact CD1-CG 4.24Å; I502-L754 HydrophobicContact CG2-CD2 4.28Å; L552-L754 HydrophobicContact CD2-CD2 4.11Å; P750-L754 WeakPolarHBondContact O-CB 3.4Å; P750-L754 WeakPolarHBondContact O-CD1 3.4Å; P750-L754 VanDerWaalsContact O-CG 3.28Å; P750-L754 WeakPolarHBondContact O-CG 3.44Å; P750-L754 PolarHBondContact O-N 2.89Å; A751-L754 PolarHBondContact O-N 3.44Å; C752-L754 VanDerWaalsContact C-N 3.31Å; C752-L754 PolarHBondContact O-N 2.84Å; L754-A757 WeakPolarHBondContact O-CB 3.41Å; L754-A757 PolarHBondContact O-N 2.66Å; L754-I758 PolarHBondContact O-N 2.9Å
755	K	84	Confident	80.6	Confident	114 Å²	114	44.5 Å²	44.5	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-45.7	172.4	-167.6	-179.8	-177.8	178	0	111.9	F17 A751 C752 A757 I758 Q759	F17-K755 HydrophobicContact CD1-CG 4.05Å; F17-K755 HydrophobicContact CE1-CD 4.45Å; F17-K755 HydrophobicContact CE1-CG 3.55Å; F17-K755 VanDerWaalsContact CE2-CE 3.48Å; F17-K755 HydrophobicContact CE2-CG 4.48Å; F17-K755 HydrophobicContact CZ-CD 4.35Å; F17-K755 HydrophobicContact CZ-CG 3.79Å; A751-K755 WeakPolarHBondContact O-CB 3.29Å; A751-K755 PolarHBondContact O-N 3.34Å; C752-K755 PolarHBondContact O-N 2.96Å; K755-A757 VanDerWaalsContact C-N 3.32Å; K755-I758 PolarHBondContact O-N 3.41Å; K755-Q759 PolarHBondContact O-N 3.5Å
756	E	87.9	Confident	82.2	Confident	30 Å²	30	42.6 Å²	42.6	14%	0.14	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-38.1	173	-72.3	-88.5	172.3	0	0	111.5	V551 S730 V732 C752 I758 Q759 V760	V551-E756 HydrophobicContact CG1-CB 4.11Å; S730-E756 WeakPolarHBondContact CB-OE2 3.42Å; S730-E756 PolarHBondContact OG-OE2 3.29Å; V732-E756 HydrophobicContact CB-CG 4.21Å; V732-E756 VanDerWaalsContact CG2-CD 3.5Å; V732-E756 HydrophobicContact CG2-CG 3.86Å; C752-E756 PolarHBondContact O-N 3.01Å; E756-I758 PolarHBondContact O-N 3.09Å; E756-Q759 WeakPolarHBondContact O-CB 3.37Å; E756-Q759 PolarHBondContact O-N 3.35Å; E756-V760 PolarHBondContact O-N 3.19Å
757	A	90.5	Very high	83.4	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-40.9	175.6	0	0	0	0	0	112.3	I502 V548 V551 L552 L753 L754 K755 V760 I761	I502-A757 HydrophobicContact CD1-CB 3.54Å; V548-A757 HydrophobicContact CG2-CB 3.79Å; V551-A757 HydrophobicContact CG1-CB 4.48Å; L552-A757 HydrophobicContact CD1-CB 4.24Å; L552-A757 HydrophobicContact CD2-CB 3.87Å; L552-A757 HydrophobicContact CG-CB 4.07Å; L753-A757 VanDerWaalsContact O-CB 3.23Å; L753-A757 WeakPolarHBondContact O-CB 3.5Å; L753-A757 PolarHBondContact O-N 2.94Å; L754-A757 WeakPolarHBondContact O-CB 3.41Å; L754-A757 PolarHBondContact O-N 2.66Å; K755-A757 VanDerWaalsContact C-N 3.32Å; A757-V760 WeakPolarHBondContact O-CG2 3.47Å; A757-I761 PolarHBondContact O-N 3.07Å
758	I	89.7	Confident	84.7	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-42.3	172.1	-71.7	173.3	0	0	0	111.2	I8 F17 I502 L754 K755 E756 V760 I761 S762	I8-I758 HydrophobicContact CB-CD1 4.02Å; I8-I758 HydrophobicContact CG2-CD1 3.53Å; F17-I758 HydrophobicContact CD1-CD1 4.23Å; F17-I758 HydrophobicContact CD1-CG2 4.22Å; F17-I758 HydrophobicContact CE1-CB 4.04Å; F17-I758 HydrophobicContact CE1-CG2 3.69Å; I502-I758 HydrophobicContact CD1-CG1 3.96Å; I502-I758 HydrophobicContact CG1-CG1 4.31Å; L754-I758 PolarHBondContact O-N 2.9Å; K755-I758 PolarHBondContact O-N 3.41Å; E756-I758 PolarHBondContact O-N 3.09Å; I758-V760 VanDerWaalsContact C-N 3.34Å; I758-V760 PolarHBondContact O-N 3.23Å; I758-I761 VanDerWaalsContact O-CG1 3.3Å; I758-I761 WeakPolarHBondContact O-CG1 3.42Å; I758-I761 PolarHBondContact O-N 3.01Å; I758-S762 PolarHBondContact O-N 3.45Å
759	Q	90.3	Very high	86	Confident	31 Å²	31	38.5 Å²	38.5	15%	0.145	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-44	177.1	177.7	175.4	6.3	0	0	112.3	H12 K755 E756 I761 S762 Y765	H12-Q759 HydrophobicContact CB-CB 4.47Å; H12-Q759 HydrophobicContact CB-CG 4.43Å; H12-Q759 VanDerWaalsContact CD2-CG 3.46Å; H12-Q759 WeakPolarHBondContact CD2-CG 3.47Å; H12-Q759 PolarHBondContact NE2-NE2 2.96Å; K755-Q759 PolarHBondContact O-N 3.5Å; E756-Q759 WeakPolarHBondContact O-CB 3.37Å; E756-Q759 PolarHBondContact O-N 3.35Å; Q759-I761 VanDerWaalsContact C-N 3.3Å; Q759-I761 PolarHBondContact O-N 3Å; Q759-S762 WeakPolarHBondContact O-CB 3.46Å; Q759-S762 PolarHBondContact O-N 3.1Å; Q759-S762 PolarHBondContact O-OG 3.37Å; Q759-Y765 HydrophobicContact CG-CD2 4.48Å; Q759-Y765 WeakPolarHBondContact O-CD2 3.44Å
760	V	91.8	Very high	87	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-74.6	-13.8	-178.6	-57.1	0	0	0	0	114.5	R547 V551 F733 E756 A757 I758 Y765	R547-V760 HydrophobicContact CB-CB 3.99Å; R547-V760 HydrophobicContact CB-CG2 3.92Å; R547-V760 VanDerWaalsContact CZ-O 3.29Å; R547-V760 PolarHBondContact NE-O 3.45Å; R547-V760 PolarHBondContact NH2-O 2.84Å; V551-V760 HydrophobicContact CG2-CG1 4.39Å; V551-V760 HydrophobicContact CG2-CG2 4.22Å; F733-V760 HydrophobicContact CB-CG1 4.2Å; E756-V760 PolarHBondContact O-N 3.19Å; A757-V760 WeakPolarHBondContact O-CG2 3.47Å; I758-V760 VanDerWaalsContact C-N 3.34Å; I758-V760 PolarHBondContact O-N 3.23Å; V760-Y765 HydrophobicContact CB-CD2 4.43Å; V760-Y765 HydrophobicContact CB-CE2 4.29Å; V760-Y765 HydrophobicContact CG1-CD2 4.37Å; V760-Y765 HydrophobicContact CG1-CE2 3.79Å
761	I	93.2	Very high	87.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.2	171.8	68.2	171.8	0	0	0	113.8	I502 V525 E528 V548 A757 I758 Q759	I502-I761 HydrophobicContact CD1-CD1 3.89Å; I502-I761 HydrophobicContact CG1-CD1 3.71Å; V525-I761 HydrophobicContact CG1-CD1 4.14Å; V525-I761 HydrophobicContact CG1-CG2 4.33Å; E528-I761 PolarHBondContact N-O 3.11Å; V548-I761 HydrophobicContact CB-CG2 3.83Å; V548-I761 HydrophobicContact CG2-CG2 3.94Å; A757-I761 PolarHBondContact O-N 3.07Å; I758-I761 VanDerWaalsContact O-CG1 3.3Å; I758-I761 WeakPolarHBondContact O-CG1 3.42Å; I758-I761 PolarHBondContact O-N 3.01Å; Q759-I761 VanDerWaalsContact C-N 3.3Å; Q759-I761 PolarHBondContact O-N 3Å
762	S	91.2	Very high	88.6	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.021	17%	0.168	C	C	.	.	S	Bend	trans	-65	148.5	174.6	65.8	0	0	0	0	112.2	E528 I758 Q759 G764 Y765	E528-S762 VanDerWaalsContact OE2-CA 3.27Å; E528-S762 WeakPolarHBondContact OE2-CA 3.44Å; E528-S762 WeakPolarHBondContact OE2-CB 3.38Å; I758-S762 PolarHBondContact O-N 3.45Å; Q759-S762 WeakPolarHBondContact O-CB 3.46Å; Q759-S762 PolarHBondContact O-N 3.1Å; Q759-S762 PolarHBondContact O-OG 3.37Å; S762-G764 VanDerWaalsContact C-N 3.3Å; S762-G764 PolarHBondContact O-N 3.4Å; S762-Y765 WeakPolarHBondContact O-CB 3.31Å; S762-Y765 PolarHBondContact O-N 2.95Å; S762-Y765 VanDerWaalsContact O-N 3.15Å
763	C	88.8	Confident	88.9	Confident	12 Å²	12	35.5 Å²	35.5	8%	0.081	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-65	-33.5	-170.6	65.8	0	0	0	0	113	E528 F533	E528-C763 HydrophobicContact CB-CB 4.41Å; E528-C763 HydrophobicContact CG-CB 4.29Å; E528-C763 PolarHBondContact OE2-N 3.42Å; F533-C763 HydrophobicContact CD1-CB 4.24Å; F533-C763 HydrophobicContact CG-CB 4.33Å
764	G	87.5	Confident	89.1	Confident	18 Å²	18	37.9 Å²	37.9	19%	0.186	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-85.5	-0.6	178.2	0	0	0	0	0	115.1	S762 E766 D767	S762-G764 VanDerWaalsContact C-N 3.3Å; S762-G764 PolarHBondContact O-N 3.4Å; G764-E766 PolarHBondContact O-N 2.98Å; G764-D767 WeakPolarHBondContact O-CB 3.37Å; G764-D767 PolarHBondContact O-N 3.28Å
765	Y	90.5	Very high	89.6	Confident	15 Å²	15	37.7 Å²	37.7	6%	0.059	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-63	-27.6	-178	-170.8	-88.9	0	0	0	112.9	F727 G728 Q729 S730 Q759 V760 S762 T769	F727-Y765 WeakPolarHBondContact O-CE1 3.4Å; F727-Y765 PolarHBondContact O-OH 3.3Å; G728-Y765 VanDerWaalsContact C-OH 3.25Å; G728-Y765 WeakPolarHBondContact CA-OH 3.49Å; Q729-Y765 PolarHBondContact N-OH 2.79Å; S730-Y765 PolarHBondContact N-OH 2.96Å; Q759-Y765 HydrophobicContact CG-CD2 4.48Å; Q759-Y765 WeakPolarHBondContact O-CD2 3.44Å; V760-Y765 HydrophobicContact CB-CD2 4.43Å; V760-Y765 HydrophobicContact CB-CE2 4.29Å; V760-Y765 HydrophobicContact CG1-CD2 4.37Å; V760-Y765 HydrophobicContact CG1-CE2 3.79Å; S762-Y765 WeakPolarHBondContact O-CB 3.31Å; S762-Y765 PolarHBondContact O-N 2.95Å; S762-Y765 VanDerWaalsContact O-N 3.15Å; Y765-T769 WeakPolarHBondContact O-CG2 3.48Å
766	E	90.4	Very high	90	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.084	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-86	-13.3	-176.3	-59.3	178.7	-156.9	0	0	112.3	R527 R547 G764 K768 T769 W771 Y779	R527-E766 IonicContact NH1-OE1 3.71Å; R527-E766 PolarHBondContact NH1-OE1 3.09Å; R527-E766 IonicContact NH2-OE1 2.7Å; R547-E766 IonicContact CZ-OE1 3.4Å; R547-E766 VanDerWaalsContact CZ-OE1 3.22Å; R547-E766 VanDerWaalsContact NH1-CD 3.29Å; R547-E766 IonicContact NH1-OE1 3.39Å; R547-E766 PolarHBondContact NH1-OE1 3.33Å; R547-E766 IonicContact NH2-OE1 2.69Å; R547-E766 PolarHBondContact NH2-OE1 3.01Å; G764-E766 PolarHBondContact O-N 2.98Å; E766-K768 PolarHBondContact O-N 2.95Å; E766-T769 PolarHBondContact O-N 3.5Å; E766-T769 PolarHBondContact O-OG1 3.27Å; E766-W771 HydrophobicContact CB-CB 4.4Å; E766-W771 HydrophobicContact CG-CB 4.26Å; E766-Y779 WeakPolarHBondContact OE2-CE2 3.45Å; E766-Y779 PolarHBondContact OE2-OH 2.86Å
767	D	86.4	Confident	90.3	Very high	93 Å²	93	31.1 Å²	31.1	50%	0.497	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	133.6	-179	-80.5	-41.9	0	0	0	112.3	G764 T769	G764-D767 WeakPolarHBondContact O-CB 3.37Å; G764-D767 PolarHBondContact O-N 3.28Å; D767-T769 PolarHBondContact O-N 3.46Å
768	K	85.3	Confident	90.4	Very high	198 Å²	198	31.2 Å²	31.2	86%	0.861	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	7.5	-177.4	-53.5	166.3	-173.6	165.8	0	114.8	E766	E766-K768 PolarHBondContact O-N 2.95Å
769	T	92	Very high	90.4	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.043	16%	0.158	C	C	.	.	S	Bend	trans	-93	174.8	173.9	76.2	0	0	0	0	112.8	K725 Y765 E766 D767 W771 K773	K725-T769 WeakPolarHBondContact O-CA 3.44Å; Y765-T769 WeakPolarHBondContact O-CG2 3.48Å; E766-T769 PolarHBondContact O-N 3.5Å; E766-T769 PolarHBondContact O-OG1 3.27Å; D767-T769 PolarHBondContact O-N 3.46Å; T769-W771 WeakPolarHBondContact OG1-CB 3.48Å; T769-W771 PolarHBondContact OG1-N 3.27Å; T769-K773 PolarHBondContact O-NZ 3.18Å
770	E	92.1	Very high	89.7	Confident	82 Å²	82	34.7 Å²	34.7	38%	0.383	19%	0.186	S	C	.	.			trans	-91.6	5.3	173.5	-64.7	-59.7	164.3	0	0	114.6	K725 G772 K773 E774 I775	K725-E770 PolarHBondContact O-N 2.91Å; E770-G772 PolarHBondContact O-N 3.3Å; E770-K773 PolarHBondContact O-N 3.19Å; E770-E774 HydrophobicContact CB-CB 4.4Å; E770-E774 PolarHBondContact O-N 3.01Å; E770-I775 HydrophobicContact CB-CD1 3.67Å; E770-I775 HydrophobicContact CB-CG1 4.22Å; E770-I775 PolarHBondContact O-N 2.98Å
771	W	93	Very high	89	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.011	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-56.6	135.2	172.4	-78.1	103.8	0	0	0	111.3	N543 I546 R547 Y643 F727 F733 E766 T769 K773 I775	N543-W771 HydrophobicContact CB-CE3 4.02Å; N543-W771 HydrophobicContact CB-CZ3 4.21Å; I546-W771 HydrophobicContact CB-CH2 4.23Å; I546-W771 HydrophobicContact CB-CZ3 4.43Å; I546-W771 HydrophobicContact CD1-CH2 4.44Å; I546-W771 HydrophobicContact CD1-CZ3 3.98Å; I546-W771 HydrophobicContact CG2-CH2 3.98Å; R547-W771 HydrophobicContact CG-CH2 3.65Å; R547-W771 HydrophobicContact CG-CZ2 3.39Å; R547-W771 HydrophobicContact CG-CZ3 4.33Å; Y643-W771 HydrophobicContact CD1-CH2 4.42Å; Y643-W771 HydrophobicContact CE1-CH2 4.26Å; F727-W771 PolarHBondContact O-NE1 2.98Å; F733-W771 AromaticContact CE1-CZ2 3.73Å; F733-W771 HydrophobicContact CE1-CZ2 3.73Å; F733-W771 HydrophobicContact CZ-CH2 4.21Å; F733-W771 AromaticContact CZ-CZ2 3.66Å; F733-W771 HydrophobicContact CZ-CZ2 3.66Å; E766-W771 HydrophobicContact CB-CB 4.4Å; E766-W771 HydrophobicContact CG-CB 4.26Å; T769-W771 WeakPolarHBondContact OG1-CB 3.48Å; T769-W771 PolarHBondContact OG1-N 3.27Å; W771-K773 PolarHBondContact O-N 2.76Å; W771-I775 HydrophobicContact CD2-CG2 4.16Å; W771-I775 HydrophobicContact CE3-CG2 3.92Å; W771-I775 HydrophobicContact CH2-CG2 4.16Å; W771-I775 HydrophobicContact CZ2-CG2 4.37Å; W771-I775 HydrophobicContact CZ3-CG2 3.94Å
772	G	88.9	Confident	88.4	Confident	2 Å²	2	36.9 Å²	36.9	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-18.5	-178	0	0	0	0	0	116.2	E770 I775 W777 I778 Y779	E770-G772 PolarHBondContact O-N 3.3Å; G772-I775 PolarHBondContact N-O 2.91Å; G772-W777 WeakPolarHBondContact CA-O 3.28Å; G772-I778 CarbonylContact O-C 3.55Å; G772-I778 WeakPolarHBondContact O-CA 3.35Å; G772-I778 WeakPolarHBondContact O-CG2 3.37Å; G772-Y779 PolarHBondContact O-N 2.76Å
773	K	88.5	Confident	87.9	Confident	100 Å²	100	36.9 Å²	36.9	44%	0.435	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-48.4	-179.5	-62	160.4	-165.1	158.1	0	111.3	T769 E770 W771	T769-K773 PolarHBondContact O-NZ 3.18Å; E770-K773 PolarHBondContact O-N 3.19Å; W771-K773 PolarHBondContact O-N 2.76Å
774	E	87.4	Confident	87.9	Confident	62 Å²	62	37.6 Å²	37.6	29%	0.29	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130	-11.9	-177.9	-59.8	-87	148.8	0	0	112.1	E770 K791 R838	E770-E774 HydrophobicContact CB-CB 4.4Å; E770-E774 PolarHBondContact O-N 3.01Å; E774-K791 WeakPolarHBondContact O-CE 3.48Å; E774-K791 IonicContact OE2-NZ 2.87Å; E774-K791 PolarHBondContact OE2-NZ 2.74Å; E774-R838 IonicContact OE1-CZ 3.26Å; E774-R838 IonicContact OE1-NH1 3.3Å; E774-R838 IonicContact OE1-NH2 3.25Å; E774-R838 PolarHBondContact OE1-NH2 2.81Å
775	I	92.3	Very high	88.2	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-131.8	143.5	-169.5	-60.9	170.4	0	0	0	111.7	K726 F727 E770 W771 G772	K726-I775 HydrophobicContact CD-CD1 4.07Å; K726-I775 VanDerWaalsContact CE-CD1 3.47Å; K726-I775 HydrophobicContact CG-CD1 3.35Å; K726-I775 VanDerWaalsContact O-CD1 3.23Å; K726-I775 WeakPolarHBondContact O-CD1 3.38Å; F727-I775 HydrophobicContact CD1-CD1 4.37Å; F727-I775 HydrophobicContact CE1-CD1 4.29Å; E770-I775 HydrophobicContact CB-CD1 3.67Å; E770-I775 HydrophobicContact CB-CG1 4.22Å; E770-I775 PolarHBondContact O-N 2.98Å; W771-I775 HydrophobicContact CD2-CG2 4.16Å; W771-I775 HydrophobicContact CE3-CG2 3.92Å; W771-I775 HydrophobicContact CH2-CG2 4.16Å; W771-I775 HydrophobicContact CZ2-CG2 4.37Å; W771-I775 HydrophobicContact CZ3-CG2 3.94Å; G772-I775 PolarHBondContact N-O 2.91Å
776	G	92.9	Very high	88.3	Confident	4 Å²	4	38.3 Å²	38.3	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	75.1	-151.3	178.8	0	0	0	0	0	112.4	N543 L642 T788	N543-G776 WeakPolarHBondContact OD1-CA 3.47Å; L642-G776 PolarHBondContact O-N 3.21Å; G776-T788 WeakPolarHBondContact O-CG2 3.33Å
777	W	94.4	Very high	88.4	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.2	C	C	.	.	S	Bend	trans	-69.8	128.2	165.7	-84.6	-101.8	0	0	0	109.6	A539 M542 N543 I546 N560 Y630 F637 L642 G772 Y779 T788	A539-W777 HydrophobicContact CB-CB 4.19Å; M542-W777 HydrophobicContact CB-CD2 3.75Å; M542-W777 HydrophobicContact CB-CE3 3.71Å; M542-W777 HydrophobicContact CB-CG 4.1Å; M542-W777 HydrophobicContact CB-CZ3 4.23Å; M542-W777 HydrophobicContact CE-CD2 4.4Å; M542-W777 HydrophobicContact CE-CE3 4.29Å; M542-W777 HydrophobicContact CE-CH2 3.35Å; M542-W777 HydrophobicContact CE-CZ2 3.43Å; M542-W777 VanDerWaalsContact CE-CZ2 3.43Å; M542-W777 HydrophobicContact CE-CZ3 3.78Å; M542-W777 HydrophobicContact CG-CD2 4.36Å; N543-W777 PolarHBondContact ND2-O 2.96Å; N543-W777 PolarHBondContact OD1-N 3.45Å; I546-W777 HydrophobicContact CD1-CE3 3.6Å; I546-W777 HydrophobicContact CD1-CZ3 3.57Å; I546-W777 HydrophobicContact CG1-CE3 4.23Å; I546-W777 HydrophobicContact CG1-CZ3 3.79Å; N560-W777 HydrophobicContact CB-CZ2 4.48Å; Y630-W777 HydrophobicContact CE1-CZ2 4.35Å; Y630-W777 AromaticContact CE1-NE1 3.42Å; Y630-W777 AromaticContact CZ-NE1 3.85Å; Y630-W777 PolarHBondContact OH-NE1 3.26Å; F637-W777 HydrophobicContact CD2-CH2 4.12Å; F637-W777 HydrophobicContact CD2-CZ2 4.22Å; F637-W777 HydrophobicContact CE2-CH2 4.06Å; F637-W777 AromaticContact CE2-CZ2 3.69Å; F637-W777 HydrophobicContact CE2-CZ2 3.69Å; F637-W777 AromaticContact CZ-CZ2 3.97Å; F637-W777 HydrophobicContact CZ-CZ2 3.97Å; L642-W777 HydrophobicContact CD1-CH2 3.94Å; L642-W777 HydrophobicContact CD1-CZ3 3.77Å; L642-W777 HydrophobicContact CD2-CE3 4.18Å; L642-W777 HydrophobicContact CD2-CH2 4.25Å; L642-W777 HydrophobicContact CD2-CZ3 3.98Å; G772-W777 WeakPolarHBondContact CA-O 3.28Å; W777-Y779 WeakPolarHBondContact O-CE1 3.36Å; W777-T788 WeakPolarHBondContact CA-OG1 3.27Å
778	I	92.6	Very high	88.7	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-86.1	131.7	-170.7	-53.2	-59.7	0	0	0	111.3	G772 E784 L787 T788 K791	G772-I778 CarbonylContact O-C 3.55Å; G772-I778 WeakPolarHBondContact O-CA 3.35Å; G772-I778 WeakPolarHBondContact O-CG2 3.37Å; I778-E784 WeakPolarHBondContact O-CB 3.42Å; I778-L787 HydrophobicContact CB-CD2 3.98Å; I778-L787 HydrophobicContact CB-CG 3.92Å; I778-L787 HydrophobicContact CG2-CD2 3.58Å; I778-L787 HydrophobicContact CG2-CG 3.82Å; I778-T788 PolarHBondContact N-OG1 3.46Å; I778-K791 HydrophobicContact CD1-CG 4.18Å; I778-K791 HydrophobicContact CG1-CB 4.3Å; I778-K791 HydrophobicContact CG1-CG 4.3Å
779	Y	89.3	Confident	89.1	Confident	35 Å²	35	24 Å²	24	14%	0.137	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-84.4	164.3	-175.2	-57.2	-18.5	0	0	0	112.9	H536 A539 N543 E766 G772 W777	H536-Y779 HydrophobicContact CB-CD1 3.91Å; H536-Y779 HydrophobicContact CB-CD2 4.3Å; H536-Y779 HydrophobicContact CB-CE1 3.96Å; H536-Y779 HydrophobicContact CB-CE2 4.36Å; H536-Y779 HydrophobicContact CB-CG 4.1Å; H536-Y779 AromaticContact CD2-CD2 3.14Å; H536-Y779 WeakPolarHBondContact CD2-CD2 3.41Å; H536-Y779 AromaticContact CD2-CE2 3.03Å; H536-Y779 WeakPolarHBondContact CD2-CE2 3.28Å; H536-Y779 AromaticContact CD2-CG 3.81Å; H536-Y779 AromaticContact CD2-CZ 3.59Å; H536-Y779 AromaticContact CE1-CD2 3.9Å; H536-Y779 AromaticContact CG-CD2 3.61Å; H536-Y779 AromaticContact CG-CE2 3.82Å; H536-Y779 AromaticContact CG-CG 3.79Å; H536-Y779 AromaticContact NE2-CD2 3.34Å; H536-Y779 VanDerWaalsContact NE2-CD2 3.34Å; H536-Y779 WeakPolarHBondContact NE2-CD2 3.44Å; H536-Y779 AromaticContact NE2-CE2 3.53Å; A539-Y779 HydrophobicContact CB-CD1 3.72Å; A539-Y779 HydrophobicContact CB-CE1 3.86Å; N543-Y779 WeakPolarHBondContact ND2-CE1 3.18Å; N543-Y779 VanDerWaalsContact ND2-CZ 3.26Å; N543-Y779 PolarHBondContact ND2-OH 2.96Å; E766-Y779 WeakPolarHBondContact OE2-CE2 3.45Å; E766-Y779 PolarHBondContact OE2-OH 2.86Å; G772-Y779 PolarHBondContact O-N 2.76Å; W777-Y779 WeakPolarHBondContact O-CE1 3.36Å
780	G	75.2	Confident	89.2	Confident	70 Å²	70	23.8 Å²	23.8	72%	0.722	13%	0.134	S	C	*	.	S	Bend	trans	94.9	9.9	172.2	0	0	0	0	0	116.4
781	S	77.6	Confident	89.2	Confident	18 Å²	18	20.3 Å²	20.3	13%	0.126	12%	0.118	C	C	.	.	S	Bend	trans	-137.1	151.5	169.6	178.3	0	0	0	0	110.8	T783 G830 E833	S781-T783 PolarHBondContact O-N 3.18Å; S781-T783 PolarHBondContact OG-N 3.21Å; S781-T783 PolarHBondContact OG-OG1 3.45Å; S781-G830 WeakPolarHBondContact OG-CA 3.24Å; S781-G830 PolarHBondContact OG-O 3.38Å; S781-G830 VanDerWaalsContact OG-O 3.09Å; S781-E833 WeakPolarHBondContact CA-OE2 2.97Å
782	V	79.5	Confident	89.2	Confident	28 Å²	28	20.5 Å²	20.5	17%	0.17	12%	0.119	C	C	.	.	S	Bend	trans	-72.2	-9.2	166.5	176.9	0	0	0	0	112.5	R826 E833 F959	V782-R826 HydrophobicContact CG1-CB 4.12Å; V782-R826 HydrophobicContact CG1-CG 4.5Å; V782-E833 WeakPolarHBondContact CG2-OE2 3.29Å; V782-E833 PolarHBondContact N-OE2 3.21Å; V782-F959 HydrophobicContact CG1-CD2 4.27Å; V782-F959 HydrophobicContact CG1-CE2 4.14Å
783	T	82.6	Confident	89.4	Confident	4 Å²	4	20.4 Å²	20.4	3%	0.025	12%	0.118	C	C	.	.			trans	-120.3	67.7	169.9	50.5	0	0	0	0	111	S781 D785 G830 I834	S781-T783 PolarHBondContact O-N 3.18Å; S781-T783 PolarHBondContact OG-N 3.21Å; S781-T783 PolarHBondContact OG-OG1 3.45Å; T783-D785 PolarHBondContact O-N 3.08Å; T783-G830 VanDerWaalsContact OG1-CA 3.31Å; T783-G830 WeakPolarHBondContact OG1-CA 3.34Å; T783-G830 PolarHBondContact OG1-O 3.45Å; T783-I834 WeakPolarHBondContact OG1-CD1 3.35Å
784	E	88.7	Confident	89.5	Confident	27 Å²	27	16 Å²	16	13%	0.126	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-22.2	176.6	73.6	-83	-166.6	0	0	112.9	A539 I778 T788	A539-E784 HydrophobicContact CB-CB 4.02Å; A539-E784 HydrophobicContact CB-CG 3.84Å; I778-E784 WeakPolarHBondContact O-CB 3.42Å; E784-T788 WeakPolarHBondContact O-CB 3.43Å; E784-T788 PolarHBondContact O-N 2.93Å; E784-T788 PolarHBondContact O-OG1 3.24Å
785	D	92.8	Very high	89.7	Confident	24 Å²	24	15.4 Å²	15.4	13%	0.128	10%	0.097	C	C	.	.	H	α-helix	trans	-69	-55.3	-176	61.2	-19.6	0	0	0	112.8	Y630 V631 G632 T783 L787 T788 G789	Y630-D785 VanDerWaalsContact CD1-CA 3.5Å; Y630-D785 HydrophobicContact CD1-CB 3.56Å; Y630-D785 WeakPolarHBondContact CD1-O 3.39Å; Y630-D785 HydrophobicContact CE1-CB 3.51Å; Y630-D785 HydrophobicContact CG-CB 4.27Å; V631-D785 WeakPolarHBondContact CA-OD2 3.48Å; G632-D785 PolarHBondContact N-OD2 3.29Å; G632-D785 VanDerWaalsContact N-OD2 3.11Å; T783-D785 PolarHBondContact O-N 3.08Å; D785-L787 VanDerWaalsContact C-N 3.26Å; D785-L787 PolarHBondContact O-N 3.13Å; D785-T788 PolarHBondContact O-N 2.56Å; D785-G789 PolarHBondContact O-N 3.24Å
786	I	92.7	Very high	89.6	Confident	24 Å²	24	16.5 Å²	16.5	12%	0.123	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-41.6	176.7	-61.8	177.3	0	0	0	109.7	I629 F790 I834 Y858	I629-I786 HydrophobicContact CD1-CG1 4.44Å; I786-F790 VanDerWaalsContact O-CB 3.25Å; I786-F790 WeakPolarHBondContact O-CB 2.97Å; I786-F790 PolarHBondContact O-N 2.87Å; I786-I834 HydrophobicContact CB-CD1 4.46Å; I786-Y858 HydrophobicContact CG2-CD1 4.44Å; I786-Y858 HydrophobicContact CG2-CE1 4.43Å
787	L	91.8	Very high	89.6	Confident	5 Å²	5	16.8 Å²	16.8	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-45	179.7	-179.2	56.3	0	0	0	112.5	I778 D785 F790 K791 I834 H839	I778-L787 HydrophobicContact CB-CD2 3.98Å; I778-L787 HydrophobicContact CB-CG 3.92Å; I778-L787 HydrophobicContact CG2-CD2 3.58Å; I778-L787 HydrophobicContact CG2-CG 3.82Å; D785-L787 VanDerWaalsContact C-N 3.26Å; D785-L787 PolarHBondContact O-N 3.13Å; L787-F790 PolarHBondContact O-N 3.37Å; L787-K791 WeakPolarHBondContact O-CB 3.16Å; L787-K791 PolarHBondContact O-N 3.14Å; L787-I834 HydrophobicContact CB-CD1 3.99Å; L787-I834 HydrophobicContact CB-CG1 4.31Å; L787-H839 HydrophobicContact CD1-CB 3.49Å; L787-H839 VanDerWaalsContact CD1-CB 3.49Å
788	T	93.4	Very high	89.7	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-46.3	177.2	-58.9	0	0	0	0	110.7	L642 G776 W777 I778 E784 D785 F790 K791 M792	L642-T788 HydrophobicContact CD2-CG2 4.25Å; G776-T788 WeakPolarHBondContact O-CG2 3.33Å; W777-T788 WeakPolarHBondContact CA-OG1 3.27Å; I778-T788 PolarHBondContact N-OG1 3.46Å; E784-T788 WeakPolarHBondContact O-CB 3.43Å; E784-T788 PolarHBondContact O-N 2.93Å; E784-T788 PolarHBondContact O-OG1 3.24Å; D785-T788 PolarHBondContact O-N 2.56Å; T788-F790 VanDerWaalsContact C-N 3.33Å; T788-F790 PolarHBondContact O-N 2.69Å; T788-K791 PolarHBondContact O-N 3.14Å; T788-M792 WeakPolarHBondContact O-CG 3.49Å; T788-M792 PolarHBondContact O-N 2.88Å
789	G	93.5	Very high	89.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-42.6	174.6	0	0	0	0	0	112.9	D785 M792 H793 Y858	D785-G789 PolarHBondContact O-N 3.24Å; G789-M792 PolarHBondContact O-N 3.41Å; G789-H793 PolarHBondContact O-N 3.43Å; G789-Y858 PolarHBondContact O-OH 2.88Å
790	F	93.5	Very high	90.1	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-41.3	176.7	173.4	-114.5	0	0	0	113.2	I786 L787 T788 H793 S794 H839 P841 Y844 L850 Y858	I786-F790 VanDerWaalsContact O-CB 3.25Å; I786-F790 WeakPolarHBondContact O-CB 2.97Å; I786-F790 PolarHBondContact O-N 2.87Å; L787-F790 PolarHBondContact O-N 3.37Å; T788-F790 VanDerWaalsContact C-N 3.33Å; T788-F790 PolarHBondContact O-N 2.69Å; F790-H793 PolarHBondContact O-N 2.69Å; F790-S794 WeakPolarHBondContact O-CB 3.44Å; F790-S794 PolarHBondContact O-N 3.46Å; F790-S794 PolarHBondContact O-OG 3.19Å; F790-H839 WeakPolarHBondContact CE1-O 3.29Å; F790-P841 HydrophobicContact CD2-CG 4.34Å; F790-P841 HydrophobicContact CE1-CG 4.17Å; F790-P841 HydrophobicContact CE2-CB 3.92Å; F790-P841 HydrophobicContact CE2-CG 3.94Å; F790-P841 HydrophobicContact CZ-CB 3.9Å; F790-P841 HydrophobicContact CZ-CG 3.87Å; F790-Y844 HydrophobicContact CD1-CD1 4.46Å; F790-Y844 AromaticContact CE1-CD1 3.48Å; F790-Y844 HydrophobicContact CE1-CD1 3.48Å; F790-Y844 VanDerWaalsContact CE1-CD1 3.48Å; F790-Y844 HydrophobicContact CE1-CE1 4.28Å; F790-Y844 HydrophobicContact CE1-CG 4.22Å; F790-Y844 AromaticContact CZ-CD1 3.91Å; F790-Y844 HydrophobicContact CZ-CD1 3.91Å; F790-L850 HydrophobicContact CD2-CD2 4.38Å; F790-L850 HydrophobicContact CE2-CD2 3.69Å; F790-Y858 HydrophobicContact CB-CD1 3.85Å; F790-Y858 HydrophobicContact CB-CE1 3.57Å; F790-Y858 HydrophobicContact CB-CG 4.48Å; F790-Y858 AromaticContact CD2-CD1 3.79Å; F790-Y858 HydrophobicContact CD2-CD1 3.79Å; F790-Y858 AromaticContact CD2-CD2 3.69Å; F790-Y858 HydrophobicContact CD2-CD2 3.69Å; F790-Y858 HydrophobicContact CD2-CE1 4.14Å; F790-Y858 HydrophobicContact CD2-CE2 4.03Å; F790-Y858 AromaticContact CD2-CG 3.56Å; F790-Y858 HydrophobicContact CD2-CG 3.56Å; F790-Y858 HydrophobicContact CE2-CD2 4.33Å; F790-Y858 HydrophobicContact CE2-CG 4.25Å; F790-Y858 HydrophobicContact CG-CD1 4.16Å; F790-Y858 HydrophobicContact CG-CE1 4.31Å; F790-Y858 HydrophobicContact CG-CG 4.37Å
791	K	92.3	Very high	91.1	Very high	9 Å²	9	15.8 Å²	15.8	4%	0.039	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-49	172.8	176.6	61.2	163.3	159	0	110.4	E774 I778 L787 T788 H793 S794 H795 Y844	E774-K791 WeakPolarHBondContact O-CE 3.48Å; E774-K791 IonicContact OE2-NZ 2.87Å; E774-K791 PolarHBondContact OE2-NZ 2.74Å; I778-K791 HydrophobicContact CD1-CG 4.18Å; I778-K791 HydrophobicContact CG1-CB 4.3Å; I778-K791 HydrophobicContact CG1-CG 4.3Å; L787-K791 WeakPolarHBondContact O-CB 3.16Å; L787-K791 PolarHBondContact O-N 3.14Å; T788-K791 PolarHBondContact O-N 3.14Å; K791-H793 PolarHBondContact O-N 2.62Å; K791-S794 WeakPolarHBondContact O-CB 3.16Å; K791-S794 PolarHBondContact O-N 3.04Å; K791-S794 VanDerWaalsContact O-N 3.16Å; K791-H795 PolarHBondContact NZ-NE2 2.78Å; K791-H795 PolarHBondContact O-CD2 3.3Å; K791-H795 VanDerWaalsContact O-CD2 3.3Å; K791-H795 PolarHBondContact O-N 2.9Å; K791-H795 VanDerWaalsContact O-N 3.11Å; K791-Y844 PolarHBondContact NZ-OH 2.91Å
792	M	92.5	Very high	91.8	Very high	7 Å²	7	15 Å²	15	3%	0.034	8%	0.078	C	C	.	.	H	α-helix	trans	-60.1	-46.4	177	-64.7	178.2	114.9	0	0	113	C590 Y591 F637 A641 L642 T788 G789 S794 H795 W797	C590-M792 HydrophobicContact CB-CE 4.04Å; C590-M792 HydrophobicContact CB-SD 4.39Å; Y591-M792 HydrophobicContact CD1-SD 3.84Å; Y591-M792 HydrophobicContact CE1-SD 3.96Å; F637-M792 HydrophobicContact CD1-CE 3.99Å; F637-M792 HydrophobicContact CD1-SD 4.06Å; F637-M792 HydrophobicContact CE1-SD 4.01Å; A641-M792 HydrophobicContact CB-CE 3.54Å; A641-M792 WeakPolarHBondContact O-CE 3.46Å; L642-M792 HydrophobicContact CD2-CE 3.85Å; L642-M792 HydrophobicContact CD2-SD 4.42Å; L642-M792 HydrophobicContact CG-CE 3.8Å; T788-M792 WeakPolarHBondContact O-CG 3.49Å; T788-M792 PolarHBondContact O-N 2.88Å; G789-M792 PolarHBondContact O-N 3.41Å; M792-S794 VanDerWaalsContact C-N 3.27Å; M792-S794 PolarHBondContact O-N 2.81Å; M792-H795 PolarHBondContact O-N 3.4Å; M792-H795 VanDerWaalsContact O-N 3.16Å; M792-W797 WeakPolarHBondContact O-CB 3.27Å; M792-W797 PolarHBondContact O-N 3.47Å
793	H	94	Very high	92.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-28.3	176.6	-76.5	-168.5	0	0	0	112.4	Y591 Q626 G789 F790 K791 G796 S799 L850 E854 Y858	Y591-H793 AromaticContact CZ-NE2 3.97Å; Q626-H793 PolarHBondContact NE2-O 2.89Å; G789-H793 PolarHBondContact O-N 3.43Å; F790-H793 PolarHBondContact O-N 2.69Å; K791-H793 PolarHBondContact O-N 2.62Å; H793-G796 PolarHBondContact O-N 2.98Å; H793-G796 VanDerWaalsContact O-N 3.12Å; H793-S799 PolarHBondContact CE1-OG 3.3Å; H793-S799 WeakPolarHBondContact NE2-CB 3.39Å; H793-S799 PolarHBondContact NE2-N 2.53Å; H793-S799 VanDerWaalsContact NE2-N 3.13Å; H793-S799 PolarHBondContact NE2-OG 3.46Å; H793-L850 HydrophobicContact CB-CD1 3.7Å; H793-E854 IonicContact CE1-OE1 3.07Å; H793-E854 PolarHBondContact CE1-OE1 2.97Å; H793-E854 IonicContact ND1-OE1 2.66Å; H793-E854 PolarHBondContact ND1-OE1 3.05Å; H793-Y858 HydrophobicContact CB-CE2 4.21Å; H793-Y858 AromaticContact ND1-CE2 3.94Å; H793-Y858 PolarHBondContact ND1-OH 3.2Å
794	S	91.4	Very high	92.7	Very high	7 Å²	7	16.4 Å²	16.4	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-66.2	-36.7	171	-63.4	0	0	0	0	112.6	F790 K791 M792 G796 G848 G849	F790-S794 WeakPolarHBondContact O-CB 3.44Å; F790-S794 PolarHBondContact O-N 3.46Å; F790-S794 PolarHBondContact O-OG 3.19Å; K791-S794 WeakPolarHBondContact O-CB 3.16Å; K791-S794 PolarHBondContact O-N 3.04Å; K791-S794 VanDerWaalsContact O-N 3.16Å; M792-S794 VanDerWaalsContact C-N 3.27Å; M792-S794 PolarHBondContact O-N 2.81Å; S794-G796 PolarHBondContact O-N 2.94Å; S794-G796 VanDerWaalsContact O-N 3.09Å; S794-G848 CarbonylContact O-C 3.6Å; S794-G848 WeakPolarHBondContact O-CA 3.3Å; S794-G849 PolarHBondContact O-N 2.95Å
795	H	90.1	Very high	92.6	Very high	49 Å²	49	25.1 Å²	25.1	23%	0.227	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	13.5	170	-75.7	-80.2	0	0	0	114.2	D646 A647 K791 M792 W797	D646-H795 IonicContact OD1-CE1 3.86Å; D646-H795 IonicContact OD1-CG 3.97Å; D646-H795 IonicContact OD1-ND1 2.73Å; D646-H795 PolarHBondContact OD1-ND1 3.03Å; A647-H795 PolarHBondContact N-O 3.08Å; A647-H795 VanDerWaalsContact N-O 3.17Å; K791-H795 PolarHBondContact NZ-NE2 2.78Å; K791-H795 PolarHBondContact O-CD2 3.3Å; K791-H795 VanDerWaalsContact O-CD2 3.3Å; K791-H795 PolarHBondContact O-N 2.9Å; K791-H795 VanDerWaalsContact O-N 3.11Å; M792-H795 PolarHBondContact O-N 3.4Å; M792-H795 VanDerWaalsContact O-N 3.16Å; H795-W797 VanDerWaalsContact C-N 3.26Å; H795-W797 PolarHBondContact O-N 3.38Å
796	G	91.1	Very high	92.3	Very high	25 Å²	25	27.4 Å²	27.4	26%	0.258	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	10.7	171.8	0	0	0	0	0	115.2	A647 H793 S794	A647-G796 VanDerWaalsContact CB-C 3.41Å; A647-G796 VanDerWaalsContact CB-O 3.3Å; A647-G796 WeakPolarHBondContact CB-O 3.5Å; H793-G796 PolarHBondContact O-N 2.98Å; H793-G796 VanDerWaalsContact O-N 3.12Å; S794-G796 PolarHBondContact O-N 2.94Å; S794-G796 VanDerWaalsContact O-N 3.09Å
797	W	93.9	Very high	92.3	Very high	11 Å²	11	27.4 Å²	27.4	4%	0.042	14%	0.139	C	C	.	.			trans	-70	164.7	167.6	-65.6	97.5	0	0	0	111.2	C590 Q626 A641 F645 A647 M792 H795	C590-W797 HydrophobicContact CB-CB 3.52Å; C590-W797 HydrophobicContact CB-CD2 3.98Å; C590-W797 HydrophobicContact CB-CE3 4.06Å; C590-W797 HydrophobicContact CB-CG 3.77Å; C590-W797 VanDerWaalsContact SG-CB 3.5Å; Q626-W797 PolarHBondContact NE2-O 3.39Å; A641-W797 HydrophobicContact CB-CD2 3.82Å; A641-W797 HydrophobicContact CB-CE3 4.25Å; A641-W797 HydrophobicContact CB-CG 4.32Å; A641-W797 HydrophobicContact CB-CH2 4.24Å; A641-W797 HydrophobicContact CB-CZ2 3.8Å; A641-W797 HydrophobicContact CB-CZ3 4.44Å; F645-W797 PolarHBondContact O-NE1 3.1Å; A647-W797 HydrophobicContact CB-CB 4.27Å; A647-W797 HydrophobicContact CB-CD2 3.56Å; A647-W797 HydrophobicContact CB-CE3 3.92Å; A647-W797 HydrophobicContact CB-CG 3.73Å; A647-W797 HydrophobicContact CB-CZ2 4.41Å; A647-W797 HydrophobicContact CB-CZ3 4.46Å; M792-W797 WeakPolarHBondContact O-CB 3.27Å; M792-W797 PolarHBondContact O-N 3.47Å; H795-W797 VanDerWaalsContact C-N 3.26Å; H795-W797 PolarHBondContact O-N 3.38Å
798	R	94.5	Very high	92.2	Very high	79 Å²	79	27.2 Å²	27.2	30%	0.298	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.6	174.8	117.7	176.9	-66.5	-179.6	-2	109.1	K588 I589 C590 L625 Q626	K588-R798 PolarHBondContact O-N 3.41Å; I589-R798 CarbonylContact C-O 3.57Å; I589-R798 WeakPolarHBondContact CA-O 3.26Å; C590-R798 PolarHBondContact N-O 3.45Å; C590-R798 PolarHBondContact SG-O 2.74Å; L625-R798 PolarHBondContact O-NH2 3.16Å; Q626-R798 HydrophobicContact CG-CB 4.17Å; Q626-R798 VanDerWaalsContact O-CB 3.27Å; Q626-R798 WeakPolarHBondContact O-CB 3.4Å; Q626-R798 WeakPolarHBondContact O-CG 3.37Å; Q626-R798 PolarHBondContact O-NE 3.5Å
799	S	96.1	Very high	92.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	175.2	169.8	60.8	0	0	0	0	112.1	Y591 G627 P628 H793	Y591-S799 VanDerWaalsContact CZ-CB 3.44Å; Y591-S799 CarbonylContact O-C 3.54Å; Y591-S799 WeakPolarHBondContact O-CA 3.49Å; Y591-S799 WeakPolarHBondContact O-CB 3.28Å; G627-S799 WeakPolarHBondContact CA-OG 3.3Å; P628-S799 WeakPolarHBondContact CD-OG 3.2Å; P628-S799 VanDerWaalsContact N-OG 3.14Å; P628-S799 PolarHBondContact O-OG 3.45Å; H793-S799 PolarHBondContact CE1-OG 3.3Å; H793-S799 WeakPolarHBondContact NE2-CB 3.39Å; H793-S799 PolarHBondContact NE2-N 2.53Å; H793-S799 VanDerWaalsContact NE2-N 3.13Å; H793-S799 PolarHBondContact NE2-OG 3.46Å
800	V	95.4	Very high	92.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.3	175.2	169.2	0	0	0	0	109.6	R332 F579 I589 Y591 V592 Q593	R332-V800 VanDerWaalsContact CZ-CG1 3.42Å; R332-V800 VanDerWaalsContact NH1-CG2 3.27Å; F579-V800 HydrophobicContact CD1-CG1 3.87Å; F579-V800 HydrophobicContact CD2-CG1 4.09Å; F579-V800 HydrophobicContact CE1-CG1 3.94Å; F579-V800 HydrophobicContact CE2-CG1 4.16Å; F579-V800 HydrophobicContact CG-CG1 3.93Å; F579-V800 HydrophobicContact CZ-CG1 4.09Å; I589-V800 HydrophobicContact CD1-CG2 3.6Å; I589-V800 HydrophobicContact CG1-CG2 4.02Å; I589-V800 HydrophobicContact CG2-CG2 4.03Å; Y591-V800 PolarHBondContact O-N 2.78Å; V592-V800 CarbonylContact C-O 3.56Å; V592-V800 WeakPolarHBondContact CA-O 3.24Å; V592-V800 HydrophobicContact CG1-CG1 4.43Å; V592-V800 HydrophobicContact CG2-CB 4.38Å; Q593-V800 PolarHBondContact N-O 2.94Å
801	Y	95.6	Very high	91.8	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.027	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.8	166.5	-160.9	-134.6	0	0	0	110	Q593 P595 F615 M619 K620 D623 P628 T803	Q593-Y801 HydrophobicContact CB-CD2 4.46Å; Q593-Y801 HydrophobicContact CG-CD2 4.42Å; Q593-Y801 WeakPolarHBondContact O-CA 3.48Å; Q593-Y801 WeakPolarHBondContact O-CD2 3.29Å; P595-Y801 WeakPolarHBondContact CB-OH 3.39Å; F615-Y801 WeakPolarHBondContact CA-OH 3.3Å; F615-Y801 WeakPolarHBondContact CB-OH 3.4Å; F615-Y801 WeakPolarHBondContact O-CE1 3.46Å; F615-Y801 VanDerWaalsContact O-CZ 3.3Å; F615-Y801 PolarHBondContact O-OH 3.05Å; M619-Y801 HydrophobicContact CB-CD1 3.85Å; M619-Y801 HydrophobicContact CB-CD2 4.12Å; M619-Y801 HydrophobicContact CB-CE1 3.53Å; M619-Y801 HydrophobicContact CB-CE2 3.86Å; M619-Y801 HydrophobicContact CB-CG 4.13Å; M619-Y801 HydrophobicContact CG-CE2 4.16Å; K620-Y801 HydrophobicContact CG-CD1 4.16Å; K620-Y801 HydrophobicContact CG-CE1 4.08Å; D623-Y801 PolarHBondContact OD1-N 2.91Å; P628-Y801 HydrophobicContact CB-CD2 4.16Å; P628-Y801 HydrophobicContact CB-CG 4.43Å; P628-Y801 HydrophobicContact CG-CD2 4.16Å; P628-Y801 HydrophobicContact CG-CG 4.35Å; Y801-T803 HydrophobicContact CD1-CG2 3.76Å; Y801-T803 HydrophobicContact CE1-CG2 3.37Å
802	C	93.4	Very high	91.1	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.02	15%	0.149	C	C	.	.			trans	-117	124.5	174.6	-174.4	0	0	0	0	109.8	F579 V592 Q593 F594 P595 P804	F579-C802 HydrophobicContact CE2-CB 3.84Å; F579-C802 HydrophobicContact CZ-CB 4.49Å; V592-C802 HydrophobicContact CG1-CB 3.85Å; Q593-C802 PolarHBondContact O-N 3.42Å; F594-C802 HydrophobicContact CD1-CB 3.94Å; F594-C802 HydrophobicContact CE1-CB 3.76Å; F594-C802 HydrophobicContact CZ-CB 4.18Å; P595-C802 WeakPolarHBondContact CD-O 3.49Å; C802-P804 WeakPolarHBondContact O-CD 3.27Å
803	T	91.2	Very high	90.3	Very high	38 Å²	38	29.3 Å²	29.3	23%	0.233	15%	0.151	C	C	.	.			trans	-120.8	86.2	177.3	55.4	0	0	0	0	109.9	P595 Y801	P595-T803 HydrophobicContact CG-CG2 4.41Å; Y801-T803 HydrophobicContact CD1-CG2 3.76Å; Y801-T803 HydrophobicContact CE1-CG2 3.37Å
804	P	89.4	Confident	89.2	Confident	23 Å²	23	29.6 Å²	29.6	15%	0.149	15%	0.153	C	C	.	.			trans	-68.5	164.5	179.6	-18.9	33.5	0	0	0	112.5	E575 F594 C802 L806 A808	E575-P804 VanDerWaalsContact OE2-CB 3.3Å; E575-P804 WeakPolarHBondContact OE2-CB 3.41Å; E575-P804 WeakPolarHBondContact OE2-CG 3.44Å; F594-P804 HydrophobicContact CD1-CG 3.92Å; F594-P804 HydrophobicContact CE1-CG 3.8Å; C802-P804 WeakPolarHBondContact O-CD 3.27Å; P804-L806 VanDerWaalsContact C-N 3.28Å; P804-L806 PolarHBondContact O-N 3.31Å; P804-A808 HydrophobicContact CG-CB 4.34Å
805	K	86.3	Confident	88.1	Confident	209 Å²	209	31.3 Å²	31.3	91%	0.909	16%	0.161	S	C	*	.	S	Bend	trans	-65.4	-30.3	179.4	-66.3	179.6	-178.2	172.9	0	113.2
806	L	87	Confident	87.3	Confident	73 Å²	73	29.9 Å²	29.9	38%	0.382	16%	0.155	S	C	.	.	S	Bend	trans	-119.1	125.8	174.4	-172	149.1	0	0	0	106.7	N568 N569 P804 A808	N568-L806 WeakPolarHBondContact ND2-CD2 3.32Å; N569-L806 HydrophobicContact CB-CD2 3.66Å; P804-L806 VanDerWaalsContact C-N 3.28Å; P804-L806 PolarHBondContact O-N 3.31Å; L806-A808 PolarHBondContact O-N 3.29Å
807	A	91	Very high	86.6	Confident	24 Å²	24	29.3 Å²	29.3	20%	0.198	15%	0.146	C	C	.	.			trans	-54.6	126.4	-169.9	0	0	0	0	0	111.5	N568 R597	N568-A807 WeakPolarHBondContact CB-O 3.43Å; N568-A807 PolarHBondContact ND2-O 3.35Å; R597-A807 HydrophobicContact CB-CB 4.27Å; R597-A807 HydrophobicContact CG-CB 3.8Å
808	A	90.6	Very high	85.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-62.7	-50.2	-173.8	0	0	0	0	0	112.6	N568 N569 A572 F594 P804 L806	N568-A808 PolarHBondContact N-O 3.05Å; N569-A808 PolarHBondContact N-O 3.48Å; A572-A808 HydrophobicContact CB-CB 3.81Å; F594-A808 HydrophobicContact CB-CB 4.17Å; F594-A808 HydrophobicContact CD1-CB 3.36Å; F594-A808 HydrophobicContact CE1-CB 3.84Å; F594-A808 HydrophobicContact CG-CB 3.88Å; P804-A808 HydrophobicContact CG-CB 4.34Å; L806-A808 PolarHBondContact O-N 3.29Å
809	F	93.2	Very high	85	Confident	3 Å²	3	25.9 Å²	25.9	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.6	178.8	-58.5	-89.4	0	0	0	109.2	L559 V561 Y566 I567 F594	L559-F809 HydrophobicContact CD1-CE1 4.12Å; L559-F809 HydrophobicContact CD1-CE2 4.45Å; L559-F809 HydrophobicContact CD1-CZ 3.61Å; L559-F809 HydrophobicContact CD2-CE1 4.02Å; L559-F809 HydrophobicContact CD2-CZ 3.82Å; L559-F809 HydrophobicContact CG-CZ 4.35Å; V561-F809 HydrophobicContact CG1-CD1 4.21Å; V561-F809 HydrophobicContact CG1-CE1 4.4Å; V561-F809 HydrophobicContact CG2-CE1 4Å; Y566-F809 WeakPolarHBondContact O-CA 3.23Å; I567-F809 HydrophobicContact CD1-CE1 4.27Å; I567-F809 HydrophobicContact CG1-CD1 4.14Å; I567-F809 HydrophobicContact CG1-CE1 3.75Å; F594-F809 HydrophobicContact CB-CD2 3.85Å; F594-F809 HydrophobicContact CB-CE2 4.05Å; F594-F809 HydrophobicContact CD2-CD2 4.42Å; F594-F809 AromaticContact CD2-CE2 3.75Å; F594-F809 HydrophobicContact CD2-CE2 3.75Å; F594-F809 HydrophobicContact CE2-CE2 4.34Å; F594-F809 HydrophobicContact CG-CD2 4.17Å; F594-F809 AromaticContact CG-CE2 3.91Å; F594-F809 HydrophobicContact CG-CE2 3.91Å
810	K	91.3	Very high	84.4	Confident	37 Å²	37	26.4 Å²	26.4	16%	0.161	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.2	170.7	-80.2	-178	158.7	-154.1	0	109.2	H565 Y566 N568 R597 D599	H565-K810 CarbonylContact C-O 3.54Å; H565-K810 VanDerWaalsContact CA-O 3.24Å; H565-K810 WeakPolarHBondContact CA-O 3.32Å; Y566-K810 HydrophobicContact CD1-CB 4.28Å; Y566-K810 VanDerWaalsContact CD1-O 3.24Å; Y566-K810 WeakPolarHBondContact CD1-O 3.41Å; Y566-K810 HydrophobicContact CE1-CB 3.61Å; Y566-K810 HydrophobicContact CE2-CB 4.16Å; Y566-K810 HydrophobicContact CE2-CD 4.46Å; Y566-K810 PolarHBondContact N-O 2.98Å; Y566-K810 PolarHBondContact O-N 2.91Å; Y566-K810 VanDerWaalsContact O-N 3.12Å; Y566-K810 WeakPolarHBondContact OH-CD 3.44Å; N568-K810 HydrophobicContact CB-CB 4.22Å; N568-K810 HydrophobicContact CB-CD 3.95Å; N568-K810 HydrophobicContact CB-CG 3.95Å; R597-K810 HydrophobicContact CB-CG 4.43Å; R597-K810 CarbonylContact O-C 3.54Å; R597-K810 VanDerWaalsContact O-CA 3.26Å; R597-K810 WeakPolarHBondContact O-CA 3.19Å; D599-K810 WeakPolarHBondContact OD1-CE 3.45Å; D599-K810 IonicContact OD1-NZ 2.62Å; D599-K810 PolarHBondContact OD1-NZ 3.49Å; D599-K810 WeakPolarHBondContact OD2-CD 3.32Å; D599-K810 IonicContact OD2-NZ 3.22Å; D599-K810 PolarHBondContact OD2-NZ 3.4Å
811	G	86.8	Confident	83.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-174	174.7	0	0	0	0	0	114.4	D564 R597 F598 D599	D564-G811 WeakPolarHBondContact O-CA 3.23Å; R597-G811 PolarHBondContact O-N 3.28Å; F598-G811 CarbonylContact C-O 3.58Å; F598-G811 WeakPolarHBondContact CA-O 3.41Å; F598-G811 WeakPolarHBondContact CB-O 3.29Å; D599-G811 PolarHBondContact N-O 3.3Å
812	S	79.2	Confident	83.4	Confident	18 Å²	18	28.3 Å²	28.3	13%	0.126	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.8	-179.3	-62.4	0	0	0	0	112.2	D564	D564-S812 PolarHBondContact O-N 3.43Å
813	A	75.3	Confident	83	Confident	9 Å²	9	29.3 Å²	29.3	7%	0.074	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-79.8	149.8	173	0	0	0	0	0	112.1	F598 N609 I815	F598-A813 HydrophobicContact CB-CB 3.68Å; F598-A813 HydrophobicContact CD1-CB 4.29Å; F598-A813 HydrophobicContact CD2-CB 4.45Å; F598-A813 HydrophobicContact CG-CB 3.9Å; N609-A813 HydrophobicContact CB-CB 4.1Å; A813-I815 PolarHBondContact O-N 2.57Å
814	P	69.9	Low	83	Confident	6 Å²	6	27.8 Å²	27.8	4%	0.039	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-60.6	119.1	168.2	-21.2	33.3	0	0	0	111.2	N609 D819 R820	N609-P814 PolarHBondContact ND2-O 3.36Å; P814-D819 HydrophobicContact CB-CB 4.43Å; P814-R820 HydrophobicContact CB-CB 4.27Å
815	I	68.7	Low	83.1	Confident	43 Å²	43	27.4 Å²	27.4	22%	0.221	14%	0.137	C	C	.	.			trans	-77.2	-39.6	-169.9	-65.5	-179	0	0	0	112.2	A813 A966 D973 L974	A813-I815 PolarHBondContact O-N 2.57Å; I815-A966 HydrophobicContact CD1-CB 3.58Å; I815-D973 HydrophobicContact CG2-CB 4.42Å; I815-L974 HydrophobicContact CG2-CB 4.34Å; I815-L974 HydrophobicContact CG2-CD1 3.35Å; I815-L974 HydrophobicContact CG2-CG 3.55Å
816	N	72.3	Confident	83.1	Confident	18 Å²	18	19.9 Å²	19.9	10%	0.096	10%	0.103	C	C	.	.	S	Bend	trans	-95	156.5	-180	68	75.2	0	0	0	112.7	S818 D819 R820	N816-S818 PolarHBondContact O-N 3.31Å; N816-S818 PolarHBondContact OD1-N 2.94Å; N816-S818 PolarHBondContact OD1-OG 3.25Å; N816-D819 PolarHBondContact ND2-OD2 3.46Å; N816-D819 WeakPolarHBondContact OD1-CB 3.31Å; N816-D819 VanDerWaalsContact OD1-CG 3.27Å; N816-D819 PolarHBondContact OD1-N 3.34Å; N816-D819 PolarHBondContact OD1-OD2 2.87Å; N816-R820 WeakPolarHBondContact O-CB 3.46Å; N816-R820 PolarHBondContact O-N 2.93Å
817	L	76.4	Confident	83.3	Confident	13 Å²	13	20.9 Å²	20.9	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-34.6	-177.6	179.8	61.3	0	0	0	113.2	Y607 R820 L821 F931 F1032	Y607-L817 HydrophobicContact CD1-CD1 3.87Å; Y607-L817 HydrophobicContact CE1-CB 4.08Å; Y607-L817 HydrophobicContact CE1-CD1 4.11Å; Y607-L817 HydrophobicContact CE1-CD2 4.33Å; Y607-L817 HydrophobicContact CE1-CG 4.4Å; Y607-L817 HydrophobicContact CE2-CB 4.15Å; Y607-L817 HydrophobicContact CG-CD1 4.28Å; L817-R820 PolarHBondContact O-N 3.36Å; L817-L821 HydrophobicContact CD1-CD1 4.04Å; L817-L821 HydrophobicContact CD1-CG 4.01Å; L817-L821 HydrophobicContact CD2-CD1 4.45Å; L817-L821 HydrophobicContact CG-CD1 3.9Å; L817-L821 HydrophobicContact CG-CG 4.3Å; L817-L821 WeakPolarHBondContact O-CB 3.44Å; L817-L821 WeakPolarHBondContact O-CG 3.42Å; L817-L821 PolarHBondContact O-N 3.15Å; L817-F931 HydrophobicContact CD1-CE2 4.43Å; L817-F1032 HydrophobicContact CD2-CD2 3.82Å; L817-F1032 HydrophobicContact CD2-CE2 4.38Å
818	S	77.8	Confident	83.3	Confident	4 Å²	4	19.7 Å²	19.7	3%	0.028	9%	0.092	C	C	.	.	H	α-helix	trans	-64.2	-49.1	-177.4	26.2	0	0	0	0	111.9	N816 R820 L821 H822 K978	N816-S818 PolarHBondContact O-N 3.31Å; N816-S818 PolarHBondContact OD1-N 2.94Å; N816-S818 PolarHBondContact OD1-OG 3.25Å; S818-R820 VanDerWaalsContact C-N 3.31Å; S818-R820 PolarHBondContact O-N 3.48Å; S818-L821 PolarHBondContact O-N 3.24Å; S818-H822 PolarHBondContact O-CD2 2.9Å; S818-H822 VanDerWaalsContact O-CD2 3.25Å; S818-H822 PolarHBondContact O-N 3.07Å; S818-K978 WeakPolarHBondContact OG-CB 3.37Å
819	D	78.3	Confident	83.3	Confident	14 Å²	14	20.1 Å²	20.1	8%	0.075	10%	0.095	C	C	.	.	H	α-helix	trans	-69.8	-32.8	-179	-63.7	-27.4	0	0	0	110.6	P814 N816 H822 Q823 T962 K978	P814-D819 HydrophobicContact CB-CB 4.43Å; N816-D819 PolarHBondContact ND2-OD2 3.46Å; N816-D819 WeakPolarHBondContact OD1-CB 3.31Å; N816-D819 VanDerWaalsContact OD1-CG 3.27Å; N816-D819 PolarHBondContact OD1-N 3.34Å; N816-D819 PolarHBondContact OD1-OD2 2.87Å; D819-H822 PolarHBondContact O-N 2.97Å; D819-Q823 PolarHBondContact O-N 3.49Å; D819-T962 HydrophobicContact CB-CG2 4.17Å; D819-K978 IonicContact OD1-NZ 2.76Å; D819-K978 IonicContact OD2-NZ 3.79Å; D819-K978 PolarHBondContact OD2-NZ 3.34Å
820	R	82.9	Confident	83.1	Confident	12 Å²	12	20 Å²	20	5%	0.045	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-40.7	170.9	-178.1	55.3	174.7	143.1	5.2	112.9	N609 P814 N816 L817 S818 Q823 V824 W827 F931	N609-R820 WeakPolarHBondContact OD1-CD 3.41Å; N609-R820 PolarHBondContact OD1-NE 3.33Å; P814-R820 HydrophobicContact CB-CB 4.27Å; N816-R820 WeakPolarHBondContact O-CB 3.46Å; N816-R820 PolarHBondContact O-N 2.93Å; L817-R820 PolarHBondContact O-N 3.36Å; S818-R820 VanDerWaalsContact C-N 3.31Å; S818-R820 PolarHBondContact O-N 3.48Å; R820-Q823 WeakPolarHBondContact O-CB 3.35Å; R820-Q823 PolarHBondContact O-N 3.09Å; R820-V824 WeakPolarHBondContact O-CG2 3.49Å; R820-V824 PolarHBondContact O-N 2.93Å; R820-V824 VanDerWaalsContact O-N 3.12Å; R820-W827 VanDerWaalsContact NH1-CH2 3.31Å; R820-W827 VanDerWaalsContact NH1-CZ3 3.33Å; R820-F931 HydrophobicContact CG-CE2 4.03Å; R820-F931 HydrophobicContact CG-CZ 3.8Å
821	L	86.3	Confident	83.1	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-70.6	-37	174.5	-74.6	171.9	0	0	0	112.4	L817 S818 Q823 V824 L825 I934 A939 L982 L983	L817-L821 HydrophobicContact CD1-CD1 4.04Å; L817-L821 HydrophobicContact CD1-CG 4.01Å; L817-L821 HydrophobicContact CD2-CD1 4.45Å; L817-L821 HydrophobicContact CG-CD1 3.9Å; L817-L821 HydrophobicContact CG-CG 4.3Å; L817-L821 WeakPolarHBondContact O-CB 3.44Å; L817-L821 WeakPolarHBondContact O-CG 3.42Å; L817-L821 PolarHBondContact O-N 3.15Å; S818-L821 PolarHBondContact O-N 3.24Å; L821-Q823 VanDerWaalsContact C-N 3.31Å; L821-Q823 PolarHBondContact O-N 3.19Å; L821-V824 PolarHBondContact O-N 3.48Å; L821-L825 WeakPolarHBondContact O-CB 3.48Å; L821-L825 PolarHBondContact O-N 3.23Å; L821-I934 HydrophobicContact CD2-CG2 4.48Å; L821-A939 HydrophobicContact CD2-CB 4.39Å; L821-L982 HydrophobicContact CB-CD1 4.22Å; L821-L983 HydrophobicContact CD1-CD2 3.38Å
822	H	84.5	Confident	83.4	Confident	48 Å²	48	18.3 Å²	18.3	22%	0.222	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-34.8	171.4	-83.4	-71.2	0	0	0	112.5	S818 D819 R826 T962	S818-H822 PolarHBondContact O-CD2 2.9Å; S818-H822 VanDerWaalsContact O-CD2 3.25Å; S818-H822 PolarHBondContact O-N 3.07Å; D819-H822 PolarHBondContact O-N 2.97Å; H822-R826 WeakPolarHBondContact O-CG 3.47Å; H822-R826 PolarHBondContact O-N 2.89Å; H822-T962 HydrophobicContact CB-CG2 3.82Å
823	Q	85.6	Confident	83.9	Confident	23 Å²	23	18.1 Å²	18.1	11%	0.107	8%	0.084	C	C	.	.	H	α-helix	trans	-62.8	-48.6	171.5	-172.4	-171.6	36.5	0	0	111.7	D819 R820 L821 L825 R826 W827	D819-Q823 PolarHBondContact O-N 3.49Å; R820-Q823 WeakPolarHBondContact O-CB 3.35Å; R820-Q823 PolarHBondContact O-N 3.09Å; L821-Q823 VanDerWaalsContact C-N 3.31Å; L821-Q823 PolarHBondContact O-N 3.19Å; Q823-L825 VanDerWaalsContact C-N 3.32Å; Q823-L825 PolarHBondContact O-N 3Å; Q823-R826 PolarHBondContact O-N 3.36Å; Q823-W827 HydrophobicContact CG-CD2 4.39Å; Q823-W827 HydrophobicContact CG-CH2 4.22Å; Q823-W827 HydrophobicContact CG-CZ2 3.74Å; Q823-W827 PolarHBondContact O-N 3.44Å; Q823-W827 VanDerWaalsContact O-N 3.15Å
824	V	90.1	Very high	84.6	Confident	7 Å²	7	17.8 Å²	17.8	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-64.2	-36.6	177.9	173.6	0	0	0	0	112	R820 L821 W827 A828 F931 A939 H940	R820-V824 WeakPolarHBondContact O-CG2 3.49Å; R820-V824 PolarHBondContact O-N 2.93Å; R820-V824 VanDerWaalsContact O-N 3.12Å; L821-V824 PolarHBondContact O-N 3.48Å; V824-W827 HydrophobicContact CG2-CE3 4.15Å; V824-W827 HydrophobicContact CG2-CZ3 4.25Å; V824-W827 PolarHBondContact O-N 3.41Å; V824-A828 WeakPolarHBondContact O-CB 3.48Å; V824-A828 PolarHBondContact O-N 3.12Å; V824-F931 HydrophobicContact CG2-CE1 3.85Å; V824-F931 HydrophobicContact CG2-CZ 3.84Å; V824-A939 HydrophobicContact CB-CB 4.15Å; V824-A939 HydrophobicContact CG1-CB 3.83Å; V824-H940 WeakPolarHBondContact CG1-NE2 3.43Å
825	L	90.6	Very high	85.6	Confident	14 Å²	14	19.5 Å²	19.5	7%	0.073	9%	0.088	C	C	.	.	H	α-helix	trans	-63.2	-42.3	174.6	177.2	136.2	0	0	0	111.7	L821 Q823 W827 A828 L829 A939 F942 A943 L982	L821-L825 WeakPolarHBondContact O-CB 3.48Å; L821-L825 PolarHBondContact O-N 3.23Å; Q823-L825 VanDerWaalsContact C-N 3.32Å; Q823-L825 PolarHBondContact O-N 3Å; L825-W827 PolarHBondContact O-N 3.3Å; L825-A828 PolarHBondContact O-N 3.39Å; L825-L829 VanDerWaalsContact O-CB 3.29Å; L825-L829 WeakPolarHBondContact O-CB 3.44Å; L825-L829 PolarHBondContact O-N 3.47Å; L825-A939 HydrophobicContact CB-CB 4Å; L825-F942 HydrophobicContact CD1-CB 3.74Å; L825-A943 HydrophobicContact CG-CB 4.29Å; L825-L982 HydrophobicContact CD1-CD1 4.22Å; L825-L982 HydrophobicContact CD1-CD2 3.57Å
826	R	86.6	Confident	86.6	Confident	52 Å²	52	20.2 Å²	20.2	20%	0.196	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-42.6	174.5	-73.6	-173.1	-69.1	139.7	-11.1	112.1	V782 H822 Q823 L829 G830 T962	V782-R826 HydrophobicContact CG1-CB 4.12Å; V782-R826 HydrophobicContact CG1-CG 4.5Å; H822-R826 WeakPolarHBondContact O-CG 3.47Å; H822-R826 PolarHBondContact O-N 2.89Å; Q823-R826 PolarHBondContact O-N 3.36Å; R826-L829 PolarHBondContact O-N 3.44Å; R826-G830 PolarHBondContact O-N 3.2Å; R826-G830 VanDerWaalsContact O-N 3.1Å; R826-T962 PolarHBondContact NH2-OG1 3.27Å
827	W	90.9	Very high	87.2	Confident	93 Å²	93	21 Å²	21	35%	0.352	10%	0.098	S	C	.	.	H	α-helix	trans	-64	-44.2	176.1	-62.8	-23.6	0	0	0	112.9	R820 Q823 V824 L825 S831	R820-W827 VanDerWaalsContact NH1-CH2 3.31Å; R820-W827 VanDerWaalsContact NH1-CZ3 3.33Å; Q823-W827 HydrophobicContact CG-CD2 4.39Å; Q823-W827 HydrophobicContact CG-CH2 4.22Å; Q823-W827 HydrophobicContact CG-CZ2 3.74Å; Q823-W827 PolarHBondContact O-N 3.44Å; Q823-W827 VanDerWaalsContact O-N 3.15Å; V824-W827 HydrophobicContact CG2-CE3 4.15Å; V824-W827 HydrophobicContact CG2-CZ3 4.25Å; V824-W827 PolarHBondContact O-N 3.41Å; L825-W827 PolarHBondContact O-N 3.3Å; W827-S831 WeakPolarHBondContact O-CB 3.08Å; W827-S831 PolarHBondContact O-N 2.92Å; W827-S831 VanDerWaalsContact O-N 3.08Å; W827-S831 PolarHBondContact O-OG 3.02Å
828	A	92.4	Very high	87.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-38.2	177.9	0	0	0	0	0	112	V824 L825 S831 V832 Y864 P865 A943	V824-A828 WeakPolarHBondContact O-CB 3.48Å; V824-A828 PolarHBondContact O-N 3.12Å; L825-A828 PolarHBondContact O-N 3.39Å; A828-S831 PolarHBondContact O-N 3.41Å; A828-V832 WeakPolarHBondContact O-CG2 3.18Å; A828-V832 PolarHBondContact O-N 3.43Å; A828-Y864 WeakPolarHBondContact CA-OH 3.35Å; A828-Y864 PolarHBondContact N-OH 2.94Å; A828-P865 HydrophobicContact CB-CB 4.17Å; A828-P865 HydrophobicContact CB-CG 4.05Å; A828-A943 HydrophobicContact CB-CB 3.51Å
829	L	90.4	Very high	88	Confident	9 Å²	9	28.3 Å²	28.3	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-51.5	177.5	-178.4	64.8	0	0	0	110.8	L825 R826 S831 V832 E833 A943 Q946 T957	L825-L829 VanDerWaalsContact O-CB 3.29Å; L825-L829 WeakPolarHBondContact O-CB 3.44Å; L825-L829 PolarHBondContact O-N 3.47Å; R826-L829 PolarHBondContact O-N 3.44Å; L829-S831 VanDerWaalsContact C-N 3.26Å; L829-S831 PolarHBondContact O-N 2.97Å; L829-V832 PolarHBondContact O-N 2.82Å; L829-V832 VanDerWaalsContact O-N 3.08Å; L829-E833 WeakPolarHBondContact O-CG 3.47Å; L829-E833 PolarHBondContact O-N 3.02Å; L829-A943 HydrophobicContact CB-CB 4.23Å; L829-Q946 HydrophobicContact CD1-CB 4.01Å; L829-T957 HydrophobicContact CD2-CG2 4.36Å
830	G	88.7	Confident	88.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-33.2	176.6	0	0	0	0	0	113.3	S781 T783 R826 E833 I834	S781-G830 WeakPolarHBondContact OG-CA 3.24Å; S781-G830 PolarHBondContact OG-O 3.38Å; S781-G830 VanDerWaalsContact OG-O 3.09Å; T783-G830 VanDerWaalsContact OG1-CA 3.31Å; T783-G830 WeakPolarHBondContact OG1-CA 3.34Å; T783-G830 PolarHBondContact OG1-O 3.45Å; R826-G830 PolarHBondContact O-N 3.2Å; R826-G830 VanDerWaalsContact O-N 3.1Å; G830-E833 PolarHBondContact O-N 3Å; G830-I834 VanDerWaalsContact O-CG1 3.26Å; G830-I834 WeakPolarHBondContact O-CG1 3.36Å; G830-I834 PolarHBondContact O-N 3.47Å
831	S	92.4	Very high	89	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-38.6	173.7	-59.6	0	0	0	0	112.5	W827 A828 L829 I834 F835 S861 Y864	W827-S831 WeakPolarHBondContact O-CB 3.08Å; W827-S831 PolarHBondContact O-N 2.92Å; W827-S831 VanDerWaalsContact O-N 3.08Å; W827-S831 PolarHBondContact O-OG 3.02Å; A828-S831 PolarHBondContact O-N 3.41Å; L829-S831 VanDerWaalsContact C-N 3.26Å; L829-S831 PolarHBondContact O-N 2.97Å; S831-I834 PolarHBondContact O-N 3.47Å; S831-F835 PolarHBondContact O-N 3.36Å; S831-S861 PolarHBondContact OG-O 2.93Å; S831-Y864 WeakPolarHBondContact OG-CE1 3.26Å
832	V	91.9	Very high	89.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.2	-38.8	173	173.9	0	0	0	0	111.4	A828 L829 F835 L836 P865 L944	A828-V832 WeakPolarHBondContact O-CG2 3.18Å; A828-V832 PolarHBondContact O-N 3.43Å; L829-V832 PolarHBondContact O-N 2.82Å; L829-V832 VanDerWaalsContact O-N 3.08Å; V832-F835 WeakPolarHBondContact O-CB 3.43Å; V832-F835 PolarHBondContact O-N 2.96Å; V832-L836 HydrophobicContact CG1-CD1 3.93Å; V832-L836 WeakPolarHBondContact O-CG 3.48Å; V832-L836 PolarHBondContact O-N 2.82Å; V832-L836 VanDerWaalsContact O-N 3.11Å; V832-P865 HydrophobicContact CG2-CB 3.85Å; V832-P865 HydrophobicContact CG2-CG 4.09Å; V832-L944 HydrophobicContact CG1-CD1 4.25Å; V832-L944 HydrophobicContact CG2-CD1 3.9Å
833	E	89.7	Confident	89.4	Confident	14 Å²	14	35 Å²	35	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-47.3	171.9	-69.9	175.1	149.8	0	0	111	S781 V782 L829 G830 F835 L836 S837 K950	S781-E833 WeakPolarHBondContact CA-OE2 2.97Å; V782-E833 WeakPolarHBondContact CG2-OE2 3.29Å; V782-E833 PolarHBondContact N-OE2 3.21Å; L829-E833 WeakPolarHBondContact O-CG 3.47Å; L829-E833 PolarHBondContact O-N 3.02Å; G830-E833 PolarHBondContact O-N 3Å; E833-F835 VanDerWaalsContact C-N 3.34Å; E833-F835 PolarHBondContact O-N 3.21Å; E833-L836 PolarHBondContact O-N 3.16Å; E833-S837 VanDerWaalsContact O-CB 3.31Å; E833-S837 WeakPolarHBondContact O-CB 3.2Å; E833-S837 PolarHBondContact O-N 2.86Å; E833-K950 WeakPolarHBondContact OE1-CD 3.47Å; E833-K950 WeakPolarHBondContact OE1-CE 3.27Å; E833-K950 IonicContact OE1-NZ 2.57Å; E833-K950 PolarHBondContact OE1-NZ 2.71Å
834	I	90.1	Very high	89.6	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-41.7	175.7	-68.7	164.2	0	0	0	111.5	T783 I786 L787 G830 S831 L836 S837 V862	T783-I834 WeakPolarHBondContact OG1-CD1 3.35Å; I786-I834 HydrophobicContact CB-CD1 4.46Å; L787-I834 HydrophobicContact CB-CD1 3.99Å; L787-I834 HydrophobicContact CB-CG1 4.31Å; G830-I834 VanDerWaalsContact O-CG1 3.26Å; G830-I834 WeakPolarHBondContact O-CG1 3.36Å; G830-I834 PolarHBondContact O-N 3.47Å; S831-I834 PolarHBondContact O-N 3.47Å; I834-L836 VanDerWaalsContact C-N 3.3Å; I834-L836 PolarHBondContact O-N 3.47Å; I834-S837 PolarHBondContact O-N 2.85Å; I834-S837 PolarHBondContact O-OG 3.32Å; I834-V862 HydrophobicContact CB-CG2 4.34Å; I834-V862 HydrophobicContact CG2-CG1 4.17Å; I834-V862 HydrophobicContact CG2-CG2 3.64Å
835	F	92	Very high	89.3	Confident	41 Å²	41	36.3 Å²	36.3	18%	0.18	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-38.9	178.2	-178.6	-101.5	0	0	0	112.9	S831 V832 E833 C840 I842 W843 V862 V863 W866	S831-F835 PolarHBondContact O-N 3.36Å; V832-F835 WeakPolarHBondContact O-CB 3.43Å; V832-F835 PolarHBondContact O-N 2.96Å; E833-F835 VanDerWaalsContact C-N 3.34Å; E833-F835 PolarHBondContact O-N 3.21Å; F835-C840 VanDerWaalsContact O-CB 3.29Å; F835-C840 WeakPolarHBondContact O-CB 3.46Å; F835-C840 PolarHBondContact O-SG 3.26Å; F835-C840 VanDerWaalsContact O-SG 3.38Å; F835-I842 HydrophobicContact CD2-CD1 4.44Å; F835-I842 HydrophobicContact CE2-CD1 3.73Å; F835-W843 WeakPolarHBondContact O-CH2 3.45Å; F835-V862 HydrophobicContact CB-CG1 3.51Å; F835-V862 HydrophobicContact CD2-CG1 3.95Å; F835-V862 HydrophobicContact CG-CG1 4.24Å; F835-V863 HydrophobicContact CD2-CG1 3.95Å; F835-V863 HydrophobicContact CE2-CG1 3.87Å; F835-W866 AromaticContact CD1-CE2 3.79Å; F835-W866 HydrophobicContact CD1-CH2 4.49Å; F835-W866 AromaticContact CD1-CZ2 3.48Å; F835-W866 HydrophobicContact CD1-CZ2 3.48Å; F835-W866 VanDerWaalsContact CD1-CZ2 3.48Å; F835-W866 AromaticContact CD1-NE1 3.73Å; F835-W866 AromaticContact CE1-CE2 3.82Å; F835-W866 HydrophobicContact CE1-CH2 4.08Å; F835-W866 AromaticContact CE1-CZ2 3.43Å; F835-W866 HydrophobicContact CE1-CZ2 3.43Å; F835-W866 VanDerWaalsContact CE1-CZ2 3.43Å; F835-W866 HydrophobicContact CG-CZ2 4.48Å; F835-W866 AromaticContact CG-NE1 3.91Å; F835-W866 HydrophobicContact CZ-CZ2 4.39Å
836	L	87.9	Confident	88.9	Confident	58 Å²	58	41.7 Å²	41.7	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-88.5	-14.4	-178.1	-62	172.7	0	0	0	112.8	V832 E833 I834 L948 V951	V832-L836 HydrophobicContact CG1-CD1 3.93Å; V832-L836 WeakPolarHBondContact O-CG 3.48Å; V832-L836 PolarHBondContact O-N 2.82Å; V832-L836 VanDerWaalsContact O-N 3.11Å; E833-L836 PolarHBondContact O-N 3.16Å; I834-L836 VanDerWaalsContact C-N 3.3Å; I834-L836 PolarHBondContact O-N 3.47Å; L836-L948 HydrophobicContact CD1-CD2 4.27Å; L836-V951 HydrophobicContact CB-CG1 4.17Å; L836-V951 HydrophobicContact CB-CG2 4.01Å; L836-V951 HydrophobicContact CD1-CB 3.86Å; L836-V951 HydrophobicContact CD1-CG1 4.14Å; L836-V951 HydrophobicContact CD1-CG2 3.68Å; L836-V951 HydrophobicContact CG-CG2 4.49Å
837	S	86.1	Confident	88.3	Confident	34 Å²	34	42.4 Å²	42.4	24%	0.238	21%	0.206	C	C	.	.	S	Bend	trans	-72.9	169.1	179.5	79.8	0	0	0	0	114.7	E833 I834 H839 C840	E833-S837 VanDerWaalsContact O-CB 3.31Å; E833-S837 WeakPolarHBondContact O-CB 3.2Å; E833-S837 PolarHBondContact O-N 2.86Å; I834-S837 PolarHBondContact O-N 2.85Å; I834-S837 PolarHBondContact O-OG 3.32Å; S837-H839 PolarHBondContact O-N 3.14Å; S837-H839 PolarHBondContact OG-N 3.25Å; S837-C840 PolarHBondContact O-N 3.43Å
838	R	86.3	Confident	87.6	Confident	151 Å²	151	39.9 Å²	39.9	57%	0.57	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.4	167.2	-169.4	179.8	78.6	139.2	1.9	113	E774 W843	E774-R838 IonicContact OE1-CZ 3.26Å; E774-R838 IonicContact OE1-NH1 3.3Å; E774-R838 IonicContact OE1-NH2 3.25Å; E774-R838 PolarHBondContact OE1-NH2 2.81Å; R838-W843 PolarHBondContact O-NE1 2.94Å
839	H	85.2	Confident	87.1	Confident	20 Å²	20	42.1 Å²	42.1	9%	0.093	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.7	-169.3	-64.6	-95.5	0	0	0	114.4	L787 F790 S837 Y844	L787-H839 HydrophobicContact CD1-CB 3.49Å; L787-H839 VanDerWaalsContact CD1-CB 3.49Å; F790-H839 WeakPolarHBondContact CE1-O 3.29Å; S837-H839 PolarHBondContact O-N 3.14Å; S837-H839 PolarHBondContact OG-N 3.25Å; H839-Y844 AromaticContact CE1-CE2 3.86Å; H839-Y844 AromaticContact ND1-CD2 3.99Å; H839-Y844 AromaticContact ND1-CE2 3.6Å; H839-Y844 AromaticContact ND1-CZ 3.63Å
840	C	90	Very high	87.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.234	C	C	.	.			trans	-55.3	128.4	178.4	-175.3	0	0	0	0	112.9	F835 S837 I842 W843 Y844	F835-C840 VanDerWaalsContact O-CB 3.29Å; F835-C840 WeakPolarHBondContact O-CB 3.46Å; F835-C840 PolarHBondContact O-SG 3.26Å; F835-C840 VanDerWaalsContact O-SG 3.38Å; S837-C840 PolarHBondContact O-N 3.43Å; C840-I842 PolarHBondContact O-N 3.11Å; C840-W843 HydrophobicContact CB-CD2 3.99Å; C840-W843 HydrophobicContact CB-CE3 4.2Å; C840-W843 HydrophobicContact CB-CH2 3.56Å; C840-W843 HydrophobicContact CB-CZ2 3.3Å; C840-W843 HydrophobicContact CB-CZ3 4Å; C840-W843 PolarHBondContact O-N 3.3Å; C840-W843 VanDerWaalsContact O-N 3.13Å; C840-Y844 WeakPolarHBondContact O-CB 3.35Å; C840-Y844 PolarHBondContact O-N 2.76Å
841	P	91	Very high	87.2	Confident	1 Å²	1	47 Å²	47	1%	0.006	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.2	-178.4	-28.4	36.6	0	0	0	116.5	F790 R855 I859 V862	F790-P841 HydrophobicContact CD2-CG 4.34Å; F790-P841 HydrophobicContact CE1-CG 4.17Å; F790-P841 HydrophobicContact CE2-CB 3.92Å; F790-P841 HydrophobicContact CE2-CG 3.94Å; F790-P841 HydrophobicContact CZ-CB 3.9Å; F790-P841 HydrophobicContact CZ-CG 3.87Å; P841-R855 PolarHBondContact O-NH1 3.28Å; P841-I859 HydrophobicContact CB-CG1 3.89Å; P841-V862 HydrophobicContact CG-CG2 4.06Å
842	I	91.1	Very high	87.2	Confident	72 Å²	72	55.2 Å²	55.2	37%	0.369	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.5	178.1	-61	177.4	0	0	0	112.1	F835 C840 Y846 I859	F835-I842 HydrophobicContact CD2-CD1 4.44Å; F835-I842 HydrophobicContact CE2-CD1 3.73Å; C840-I842 PolarHBondContact O-N 3.11Å; I842-Y846 WeakPolarHBondContact O-CE2 3.47Å; I842-Y846 PolarHBondContact O-OH 3.01Å; I842-I859 HydrophobicContact CG1-CD1 4.18Å; I842-I859 HydrophobicContact CG1-CG1 4Å; I842-I859 HydrophobicContact CG1-CG2 4.48Å
843	W	89	Confident	87.2	Confident	142 Å²	142	56.2 Å²	56.2	54%	0.538	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-21	178.6	56.5	79.2	0	0	0	115	F835 R838 C840 Y846	F835-W843 WeakPolarHBondContact O-CH2 3.45Å; R838-W843 PolarHBondContact O-NE1 2.94Å; C840-W843 HydrophobicContact CB-CD2 3.99Å; C840-W843 HydrophobicContact CB-CE3 4.2Å; C840-W843 HydrophobicContact CB-CH2 3.56Å; C840-W843 HydrophobicContact CB-CZ2 3.3Å; C840-W843 HydrophobicContact CB-CZ3 4Å; C840-W843 PolarHBondContact O-N 3.3Å; C840-W843 VanDerWaalsContact O-N 3.13Å; W843-Y846 WeakPolarHBondContact O-CD2 3.2Å
844	Y	88.9	Confident	87.4	Confident	38 Å²	38	55.6 Å²	55.6	15%	0.149	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	154.3	178.1	-171.1	-94	0	0	0	113	F790 K791 H839 C840 Y846 R855	F790-Y844 HydrophobicContact CD1-CD1 4.46Å; F790-Y844 AromaticContact CE1-CD1 3.48Å; F790-Y844 HydrophobicContact CE1-CD1 3.48Å; F790-Y844 VanDerWaalsContact CE1-CD1 3.48Å; F790-Y844 HydrophobicContact CE1-CE1 4.28Å; F790-Y844 HydrophobicContact CE1-CG 4.22Å; F790-Y844 AromaticContact CZ-CD1 3.91Å; F790-Y844 HydrophobicContact CZ-CD1 3.91Å; K791-Y844 PolarHBondContact NZ-OH 2.91Å; H839-Y844 AromaticContact CE1-CE2 3.86Å; H839-Y844 AromaticContact ND1-CD2 3.99Å; H839-Y844 AromaticContact ND1-CE2 3.6Å; H839-Y844 AromaticContact ND1-CZ 3.63Å; C840-Y844 WeakPolarHBondContact O-CB 3.35Å; C840-Y844 PolarHBondContact O-N 2.76Å; Y844-Y846 VanDerWaalsContact C-N 3.27Å; Y844-Y846 WeakPolarHBondContact O-CD2 3.21Å; Y844-Y846 PolarHBondContact O-N 3.29Å; Y844-R855 PolarHBondContact O-NH1 3.5Å
845	G	83.4	Confident	87.6	Confident	19 Å²	19	56.6 Å²	56.6	20%	0.196	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	15.2	169.2	0	0	0	0	0	115.9	G847 G848 R855	G845-G847 PolarHBondContact O-N 3.28Å; G845-G848 PolarHBondContact O-N 3.42Å; G845-G848 VanDerWaalsContact O-N 3.12Å; G845-R855 PolarHBondContact O-NH2 3.48Å; G845-R855 VanDerWaalsContact O-NH2 3.07Å
846	Y	82.3	Confident	87.6	Confident	127 Å²	127	56.6 Å²	56.6	50%	0.498	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	109.2	177.3	-85.8	-103.5	0	0	0	111	K693 I842 W843 Y844	K693-Y846 WeakPolarHBondContact CE-O 3.16Å; K693-Y846 PolarHBondContact NZ-O 2.92Å; K693-Y846 VanDerWaalsContact NZ-O 3.16Å; I842-Y846 WeakPolarHBondContact O-CE2 3.47Å; I842-Y846 PolarHBondContact O-OH 3.01Å; W843-Y846 WeakPolarHBondContact O-CD2 3.2Å; Y844-Y846 VanDerWaalsContact C-N 3.27Å; Y844-Y846 WeakPolarHBondContact O-CD2 3.21Å; Y844-Y846 PolarHBondContact O-N 3.29Å
847	G	73.9	Confident	87.9	Confident	67 Å²	67	54.2 Å²	54.2	69%	0.691	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.5	-7	-173.3	0	0	0	0	0	114.1	G845	G845-G847 PolarHBondContact O-N 3.28Å
848	G	76.1	Confident	88.3	Confident	40 Å²	40	52.7 Å²	52.7	41%	0.412	27%	0.269	S	S	.	.	S	Bend	trans	-69.9	-178	163	0	0	0	0	0	112.4	S794 G845 L850	S794-G848 CarbonylContact O-C 3.6Å; S794-G848 WeakPolarHBondContact O-CA 3.3Å; G845-G848 PolarHBondContact O-N 3.42Å; G845-G848 VanDerWaalsContact O-N 3.12Å; G848-L850 PolarHBondContact O-N 3.04Å
849	G	82.9	Confident	88.6	Confident	47 Å²	47	46.7 Å²	46.7	49%	0.485	25%	0.248	S	C	.	.	S	Bend	trans	-79	5.5	-178	0	0	0	0	0	115.7	S794	S794-G849 PolarHBondContact O-N 2.95Å
850	L	90	Very high	89	Confident	19 Å²	19	47 Å²	47	10%	0.099	25%	0.25	C	S	.	.			trans	-67.8	126.2	-175.9	-166.7	73	0	0	0	112.6	F790 H793 G848 E854 R855 Y858	F790-L850 HydrophobicContact CD2-CD2 4.38Å; F790-L850 HydrophobicContact CE2-CD2 3.69Å; H793-L850 HydrophobicContact CB-CD1 3.7Å; G848-L850 PolarHBondContact O-N 3.04Å; L850-E854 HydrophobicContact CD1-CB 4.14Å; L850-E854 HydrophobicContact CD1-CG 3.6Å; L850-E854 HydrophobicContact CG-CB 4.44Å; L850-E854 HydrophobicContact CG-CG 4.41Å; L850-R855 HydrophobicContact CD2-CB 3.84Å; L850-R855 HydrophobicContact CD2-CG 4.23Å; L850-R855 HydrophobicContact CG-CB 4.45Å; L850-Y858 HydrophobicContact CD1-CD2 4.16Å; L850-Y858 HydrophobicContact CD1-CE2 4.04Å
851	K	91.9	Very high	89.1	Confident	93 Å²	93	47.9 Å²	47.9	40%	0.404	26%	0.257	S	S	.	.			trans	-67.4	156.7	174.2	-68.6	179	172.3	-169.9	0	112.4	L625 Q626 E854 R855	L625-K851 PolarHBondContact O-NZ 3.45Å; Q626-K851 HydrophobicContact CB-CD 4.44Å; K851-E854 HydrophobicContact CB-CB 3.85Å; K851-E854 WeakPolarHBondContact O-CB 3.47Å; K851-E854 PolarHBondContact O-N 3.23Å; K851-R855 PolarHBondContact O-N 3.46Å
852	W	91	Very high	89.2	Confident	173 Å²	173	48 Å²	48	66%	0.655	26%	0.257	S	S	*	.	H	α-helix	trans	-68.5	-45.6	179.8	76.1	-91.9	0	0	0	113.4	E854 R855 L856	W852-E854 VanDerWaalsContact C-N 3.29Å; W852-E854 PolarHBondContact O-N 3.49Å; W852-R855 WeakPolarHBondContact O-CB 3.26Å; W852-R855 PolarHBondContact O-N 3.02Å; W852-L856 HydrophobicContact CE3-CD1 3.87Å; W852-L856 HydrophobicContact CE3-CG 4.39Å; W852-L856 HydrophobicContact CZ3-CD1 3.68Å; W852-L856 PolarHBondContact O-N 3.05Å
853	L	92.6	Very high	89.3	Confident	21 Å²	21	45.8 Å²	45.8	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-36.2	174	-73.1	169.8	0	0	0	112.3	F324 L625 L856 S857	F324-L853 HydrophobicContact CB-CD2 3.98Å; L625-L853 HydrophobicContact CD1-CB 3.76Å; L625-L853 HydrophobicContact CD2-CB 3.98Å; L625-L853 HydrophobicContact CD2-CD1 3.65Å; L625-L853 HydrophobicContact CD2-CG 4.47Å; L625-L853 HydrophobicContact CG-CB 4.47Å; L853-L856 PolarHBondContact O-N 2.86Å; L853-S857 PolarHBondContact O-N 3.48Å
854	E	93.4	Very high	89.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-44.2	174.5	-167.7	81	-178.8	0	0	110.8	L625 Q626 H793 L850 K851 W852 L856 S857 Y858	L625-E854 WeakPolarHBondContact CB-OE2 3.48Å; Q626-E854 WeakPolarHBondContact CA-OE2 3.37Å; Q626-E854 HydrophobicContact CB-CB 4.25Å; Q626-E854 HydrophobicContact CB-CG 3.7Å; Q626-E854 WeakPolarHBondContact CB-OE1 3.25Å; Q626-E854 WeakPolarHBondContact CB-OE2 3.48Å; Q626-E854 PolarHBondContact N-OE2 3.33Å; H793-E854 IonicContact CE1-OE1 3.07Å; H793-E854 PolarHBondContact CE1-OE1 2.97Å; H793-E854 IonicContact ND1-OE1 2.66Å; H793-E854 PolarHBondContact ND1-OE1 3.05Å; L850-E854 HydrophobicContact CD1-CB 4.14Å; L850-E854 HydrophobicContact CD1-CG 3.6Å; L850-E854 HydrophobicContact CG-CB 4.44Å; L850-E854 HydrophobicContact CG-CG 4.41Å; K851-E854 HydrophobicContact CB-CB 3.85Å; K851-E854 WeakPolarHBondContact O-CB 3.47Å; K851-E854 PolarHBondContact O-N 3.23Å; W852-E854 VanDerWaalsContact C-N 3.29Å; W852-E854 PolarHBondContact O-N 3.49Å; E854-L856 VanDerWaalsContact C-N 3.32Å; E854-L856 PolarHBondContact O-N 3.35Å; E854-S857 WeakPolarHBondContact O-CB 3.24Å; E854-S857 PolarHBondContact O-N 2.97Å; E854-S857 VanDerWaalsContact O-N 3.15Å; E854-Y858 HydrophobicContact CG-CD2 4.03Å; E854-Y858 HydrophobicContact CG-CE2 3.82Å; E854-Y858 VanDerWaalsContact O-CD2 3.32Å; E854-Y858 WeakPolarHBondContact O-CD2 3.33Å; E854-Y858 PolarHBondContact O-N 3.4Å
855	R	93.6	Very high	89.7	Confident	25 Å²	25	39.8 Å²	39.8	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-39.9	172.8	-174	-178.7	-64.2	-83.7	-1.9	112	P841 Y844 G845 L850 K851 W852 S857 Y858 I859	P841-R855 PolarHBondContact O-NH1 3.28Å; Y844-R855 PolarHBondContact O-NH1 3.5Å; G845-R855 PolarHBondContact O-NH2 3.48Å; G845-R855 VanDerWaalsContact O-NH2 3.07Å; L850-R855 HydrophobicContact CD2-CB 3.84Å; L850-R855 HydrophobicContact CD2-CG 4.23Å; L850-R855 HydrophobicContact CG-CB 4.45Å; K851-R855 PolarHBondContact O-N 3.46Å; W852-R855 WeakPolarHBondContact O-CB 3.26Å; W852-R855 PolarHBondContact O-N 3.02Å; R855-S857 VanDerWaalsContact C-N 3.32Å; R855-S857 PolarHBondContact O-N 3.25Å; R855-Y858 PolarHBondContact O-N 3.41Å; R855-I859 HydrophobicContact CG-CD1 4Å; R855-I859 HydrophobicContact CG-CG1 4.4Å; R855-I859 VanDerWaalsContact O-CG1 3.27Å; R855-I859 WeakPolarHBondContact O-CG1 3.33Å; R855-I859 PolarHBondContact O-N 3.39Å
856	L	93.1	Very high	90.2	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-39.7	174.6	-65.8	-174.3	0	0	0	111.8	L321 F324 W852 L853 E854 I859 N860	L321-L856 HydrophobicContact CD2-CB 4.33Å; L321-L856 HydrophobicContact CD2-CD2 3.91Å; F324-L856 HydrophobicContact CD2-CD1 4.28Å; W852-L856 HydrophobicContact CE3-CD1 3.87Å; W852-L856 HydrophobicContact CE3-CG 4.39Å; W852-L856 HydrophobicContact CZ3-CD1 3.68Å; W852-L856 PolarHBondContact O-N 3.05Å; L853-L856 PolarHBondContact O-N 2.86Å; E854-L856 VanDerWaalsContact C-N 3.32Å; E854-L856 PolarHBondContact O-N 3.35Å; L856-I859 HydrophobicContact CD2-CD1 4.46Å; L856-I859 PolarHBondContact O-N 2.94Å; L856-N860 WeakPolarHBondContact O-CB 3.38Å; L856-N860 PolarHBondContact O-N 3.16Å
857	S	93.3	Very high	90.7	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-46.3	172.7	-167.2	0	0	0	0	112.1	L622 L853 E854 R855 I859 N860 S861	L622-S857 VanDerWaalsContact CD2-OG 3.29Å; L622-S857 WeakPolarHBondContact CD2-OG 3.27Å; L853-S857 PolarHBondContact O-N 3.48Å; E854-S857 WeakPolarHBondContact O-CB 3.24Å; E854-S857 PolarHBondContact O-N 2.97Å; E854-S857 VanDerWaalsContact O-N 3.15Å; R855-S857 VanDerWaalsContact C-N 3.32Å; R855-S857 PolarHBondContact O-N 3.25Å; S857-I859 VanDerWaalsContact C-N 3.33Å; S857-I859 PolarHBondContact O-N 2.83Å; S857-N860 WeakPolarHBondContact O-CB 3.37Å; S857-N860 PolarHBondContact O-N 3.43Å; S857-S861 PolarHBondContact O-N 3.33Å; S857-S861 PolarHBondContact O-OG 2.9Å
858	Y	94.3	Very high	91.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-33.8	177.4	-80.6	-67.3	0	0	0	113	I629 I786 G789 F790 H793 L850 E854 R855 V862	I629-Y858 HydrophobicContact CB-CE1 4.43Å; I629-Y858 HydrophobicContact CG2-CD1 4.27Å; I629-Y858 HydrophobicContact CG2-CE1 3.57Å; I786-Y858 HydrophobicContact CG2-CD1 4.44Å; I786-Y858 HydrophobicContact CG2-CE1 4.43Å; G789-Y858 PolarHBondContact O-OH 2.88Å; F790-Y858 HydrophobicContact CB-CD1 3.85Å; F790-Y858 HydrophobicContact CB-CE1 3.57Å; F790-Y858 HydrophobicContact CB-CG 4.48Å; F790-Y858 AromaticContact CD2-CD1 3.79Å; F790-Y858 HydrophobicContact CD2-CD1 3.79Å; F790-Y858 AromaticContact CD2-CD2 3.69Å; F790-Y858 HydrophobicContact CD2-CD2 3.69Å; F790-Y858 HydrophobicContact CD2-CE1 4.14Å; F790-Y858 HydrophobicContact CD2-CE2 4.03Å; F790-Y858 AromaticContact CD2-CG 3.56Å; F790-Y858 HydrophobicContact CD2-CG 3.56Å; F790-Y858 HydrophobicContact CE2-CD2 4.33Å; F790-Y858 HydrophobicContact CE2-CG 4.25Å; F790-Y858 HydrophobicContact CG-CD1 4.16Å; F790-Y858 HydrophobicContact CG-CE1 4.31Å; F790-Y858 HydrophobicContact CG-CG 4.37Å; H793-Y858 HydrophobicContact CB-CE2 4.21Å; H793-Y858 AromaticContact ND1-CE2 3.94Å; H793-Y858 PolarHBondContact ND1-OH 3.2Å; L850-Y858 HydrophobicContact CD1-CD2 4.16Å; L850-Y858 HydrophobicContact CD1-CE2 4.04Å; E854-Y858 HydrophobicContact CG-CD2 4.03Å; E854-Y858 HydrophobicContact CG-CE2 3.82Å; E854-Y858 VanDerWaalsContact O-CD2 3.32Å; E854-Y858 WeakPolarHBondContact O-CD2 3.33Å; E854-Y858 PolarHBondContact O-N 3.4Å; R855-Y858 PolarHBondContact O-N 3.41Å; Y858-V862 WeakPolarHBondContact O-CB 3.37Å; Y858-V862 VanDerWaalsContact O-CG2 3.26Å; Y858-V862 WeakPolarHBondContact O-CG2 3.4Å; Y858-V862 PolarHBondContact O-N 2.86Å
859	I	94.2	Very high	92.5	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.128	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-49.8	170.2	-70.2	167.9	0	0	0	109.3	L321 P841 I842 R855 L856 S857 S861 V862 V863	L321-I859 HydrophobicContact CD1-CG2 4.4Å; P841-I859 HydrophobicContact CB-CG1 3.89Å; I842-I859 HydrophobicContact CG1-CD1 4.18Å; I842-I859 HydrophobicContact CG1-CG1 4Å; I842-I859 HydrophobicContact CG1-CG2 4.48Å; R855-I859 HydrophobicContact CG-CD1 4Å; R855-I859 HydrophobicContact CG-CG1 4.4Å; R855-I859 VanDerWaalsContact O-CG1 3.27Å; R855-I859 WeakPolarHBondContact O-CG1 3.33Å; R855-I859 PolarHBondContact O-N 3.39Å; L856-I859 HydrophobicContact CD2-CD1 4.46Å; L856-I859 PolarHBondContact O-N 2.94Å; S857-I859 VanDerWaalsContact C-N 3.33Å; S857-I859 PolarHBondContact O-N 2.83Å; I859-S861 PolarHBondContact O-N 3.49Å; I859-V862 PolarHBondContact O-N 2.9Å; I859-V863 HydrophobicContact CG2-CG1 4.11Å; I859-V863 HydrophobicContact CG2-CG2 4.38Å; I859-V863 WeakPolarHBondContact O-CG1 3.08Å; I859-V863 WeakPolarHBondContact O-CG2 3.13Å; I859-V863 PolarHBondContact O-N 3.37Å
860	N	93.5	Very high	93.1	Very high	25 Å²	25	31.6 Å²	31.6	13%	0.134	15%	0.146	C	C	.	.	H	α-helix	trans	-55.7	-49.4	178.3	-164.8	40.7	0	0	0	112.1	L321 L856 S857 V862 V863 Y864	L321-N860 HydrophobicContact CB-CB 4.12Å; L856-N860 WeakPolarHBondContact O-CB 3.38Å; L856-N860 PolarHBondContact O-N 3.16Å; S857-N860 WeakPolarHBondContact O-CB 3.37Å; S857-N860 PolarHBondContact O-N 3.43Å; N860-V862 PolarHBondContact O-N 3.18Å; N860-V862 VanDerWaalsContact O-N 3.1Å; N860-V863 PolarHBondContact O-N 3.46Å; N860-Y864 WeakPolarHBondContact O-CB 3.39Å; N860-Y864 PolarHBondContact O-N 2.62Å
861	S	91.7	Very high	93.3	Very high	20 Å²	20	30.9 Å²	30.9	14%	0.14	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-13.7	177.3	-62.5	0	0	0	0	114.8	S831 S857 I859 Y864	S831-S861 PolarHBondContact OG-O 2.93Å; S857-S861 PolarHBondContact O-N 3.33Å; S857-S861 PolarHBondContact O-OG 2.9Å; I859-S861 PolarHBondContact O-N 3.49Å; S861-Y864 WeakPolarHBondContact O-CD1 3.23Å; S861-Y864 WeakPolarHBondContact O-CE1 3.27Å
862	V	92.5	Very high	93.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-106.3	-32.9	179.1	168.4	0	0	0	0	111.7	I834 F835 P841 Y858 I859 N860	I834-V862 HydrophobicContact CB-CG2 4.34Å; I834-V862 HydrophobicContact CG2-CG1 4.17Å; I834-V862 HydrophobicContact CG2-CG2 3.64Å; F835-V862 HydrophobicContact CB-CG1 3.51Å; F835-V862 HydrophobicContact CD2-CG1 3.95Å; F835-V862 HydrophobicContact CG-CG1 4.24Å; P841-V862 HydrophobicContact CG-CG2 4.06Å; Y858-V862 WeakPolarHBondContact O-CB 3.37Å; Y858-V862 VanDerWaalsContact O-CG2 3.26Å; Y858-V862 WeakPolarHBondContact O-CG2 3.4Å; Y858-V862 PolarHBondContact O-N 2.86Å; I859-V862 PolarHBondContact O-N 2.9Å; N860-V862 PolarHBondContact O-N 3.18Å; N860-V862 VanDerWaalsContact O-N 3.1Å
863	V	93	Very high	93.6	Very high	27 Å²	27	22.9 Å²	22.9	16%	0.164	12%	0.118	C	C	.	.	H	α-helix	trans	-91.8	-13	-179.5	-52.3	0	0	0	0	114.6	L321 F835 I859 N860 P865 W866	L321-V863 HydrophobicContact CD1-CG2 4.41Å; F835-V863 HydrophobicContact CD2-CG1 3.95Å; F835-V863 HydrophobicContact CE2-CG1 3.87Å; I859-V863 HydrophobicContact CG2-CG1 4.11Å; I859-V863 HydrophobicContact CG2-CG2 4.38Å; I859-V863 WeakPolarHBondContact O-CG1 3.08Å; I859-V863 WeakPolarHBondContact O-CG2 3.13Å; I859-V863 PolarHBondContact O-N 3.37Å; N860-V863 PolarHBondContact O-N 3.46Å; V863-P865 VanDerWaalsContact C-N 3.28Å; V863-P865 WeakPolarHBondContact O-CD 3.19Å; V863-P865 VanDerWaalsContact O-N 3.09Å; V863-W866 VanDerWaalsContact O-CB 3.31Å; V863-W866 WeakPolarHBondContact O-CB 3.36Å; V863-W866 PolarHBondContact O-N 3.14Å
864	Y	92.7	Very high	93.6	Very high	53 Å²	53	24.9 Å²	24.9	21%	0.208	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-52.2	-32.4	-177	83.9	-93.8	0	0	0	115.8	A828 S831 N860 S861 W866 T867 H940	A828-Y864 WeakPolarHBondContact CA-OH 3.35Å; A828-Y864 PolarHBondContact N-OH 2.94Å; S831-Y864 WeakPolarHBondContact OG-CE1 3.26Å; N860-Y864 WeakPolarHBondContact O-CB 3.39Å; N860-Y864 PolarHBondContact O-N 2.62Å; S861-Y864 WeakPolarHBondContact O-CD1 3.23Å; S861-Y864 WeakPolarHBondContact O-CE1 3.27Å; Y864-W866 PolarHBondContact O-N 2.95Å; Y864-T867 PolarHBondContact O-N 3.29Å; Y864-H940 AromaticContact CD2-CE1 3.8Å; Y864-H940 AromaticContact CE2-CE1 3.64Å; Y864-H940 AromaticContact CE2-NE2 3.61Å
865	P	93.6	Very high	93.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-66.4	-27.6	177.4	-21.4	35.5	0	0	0	112.7	A828 V832 V863 T867 S868 H940	A828-P865 HydrophobicContact CB-CB 4.17Å; A828-P865 HydrophobicContact CB-CG 4.05Å; V832-P865 HydrophobicContact CG2-CB 3.85Å; V832-P865 HydrophobicContact CG2-CG 4.09Å; V863-P865 VanDerWaalsContact C-N 3.28Å; V863-P865 WeakPolarHBondContact O-CD 3.19Å; V863-P865 VanDerWaalsContact O-N 3.09Å; P865-T867 VanDerWaalsContact C-N 3.25Å; P865-T867 PolarHBondContact O-N 2.89Å; P865-S868 WeakPolarHBondContact O-CB 3.23Å; P865-S868 PolarHBondContact O-N 3.11Å; P865-S868 VanDerWaalsContact O-N 3.11Å; P865-S868 PolarHBondContact O-OG 3.25Å; P865-H940 HydrophobicContact CB-CB 4.43Å
866	W	94	Very high	93.6	Very high	47 Å²	47	24.8 Å²	24.8	18%	0.178	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-68.4	-25.1	180	-65.8	75.9	0	0	0	112.6	W314 F835 V863 Y864 S868 L869 P870 L944 L948	W314-W866 HydrophobicContact CZ2-CB 3.95Å; F835-W866 AromaticContact CD1-CE2 3.79Å; F835-W866 HydrophobicContact CD1-CH2 4.49Å; F835-W866 AromaticContact CD1-CZ2 3.48Å; F835-W866 HydrophobicContact CD1-CZ2 3.48Å; F835-W866 VanDerWaalsContact CD1-CZ2 3.48Å; F835-W866 AromaticContact CD1-NE1 3.73Å; F835-W866 AromaticContact CE1-CE2 3.82Å; F835-W866 HydrophobicContact CE1-CH2 4.08Å; F835-W866 AromaticContact CE1-CZ2 3.43Å; F835-W866 HydrophobicContact CE1-CZ2 3.43Å; F835-W866 VanDerWaalsContact CE1-CZ2 3.43Å; F835-W866 HydrophobicContact CG-CZ2 4.48Å; F835-W866 AromaticContact CG-NE1 3.91Å; F835-W866 HydrophobicContact CZ-CZ2 4.39Å; V863-W866 VanDerWaalsContact O-CB 3.31Å; V863-W866 WeakPolarHBondContact O-CB 3.36Å; V863-W866 PolarHBondContact O-N 3.14Å; Y864-W866 PolarHBondContact O-N 2.95Å; W866-S868 PolarHBondContact O-N 3.17Å; W866-S868 VanDerWaalsContact O-N 3.14Å; W866-L869 PolarHBondContact O-N 3.02Å; W866-P870 WeakPolarHBondContact O-CD 3.21Å; W866-L944 HydrophobicContact CD2-CD1 3.67Å; W866-L944 HydrophobicContact CE3-CD1 4.01Å; W866-L944 HydrophobicContact CE3-CD2 4.38Å; W866-L944 HydrophobicContact CG-CD1 4.13Å; W866-L944 HydrophobicContact CH2-CD1 4.18Å; W866-L944 HydrophobicContact CZ2-CD1 3.83Å; W866-L944 HydrophobicContact CZ3-CD1 4.25Å; W866-L948 HydrophobicContact CH2-CD2 4.11Å
867	T	93.6	Very high	93.6	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.031	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-65.8	-9.9	173.4	-56.1	0	0	0	0	112.4	W314 F315 S318 Y864 P865 L869 P870 L871 W932	W314-T867 PolarHBondContact NE1-OG1 3.12Å; F315-T867 HydrophobicContact CD1-CG2 3.87Å; F315-T867 HydrophobicContact CE1-CG2 3.9Å; S318-T867 PolarHBondContact OG-OG1 3.44Å; Y864-T867 PolarHBondContact O-N 3.29Å; P865-T867 VanDerWaalsContact C-N 3.25Å; P865-T867 PolarHBondContact O-N 2.89Å; T867-L869 VanDerWaalsContact C-N 3.33Å; T867-L869 PolarHBondContact O-N 3.19Å; T867-P870 HydrophobicContact CG2-CG 4.43Å; T867-P870 WeakPolarHBondContact O-CD 3.38Å; T867-P870 WeakPolarHBondContact O-CG 3.49Å; T867-L871 WeakPolarHBondContact O-CB 3.47Å; T867-L871 PolarHBondContact O-N 2.86Å; T867-L871 VanDerWaalsContact O-N 3.13Å; T867-W932 HydrophobicContact CG2-CZ2 4.17Å
868	S	94.2	Very high	93.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-38.3	167.7	60.5	0	0	0	0	113.6	P865 W866 L871 I872 G936	P865-S868 WeakPolarHBondContact O-CB 3.23Å; P865-S868 PolarHBondContact O-N 3.11Å; P865-S868 VanDerWaalsContact O-N 3.11Å; P865-S868 PolarHBondContact O-OG 3.25Å; W866-S868 PolarHBondContact O-N 3.17Å; W866-S868 VanDerWaalsContact O-N 3.14Å; S868-L871 PolarHBondContact O-N 3.5Å; S868-I872 WeakPolarHBondContact O-CG2 3.33Å; S868-I872 PolarHBondContact O-N 3.04Å; S868-G936 WeakPolarHBondContact CB-O 3.35Å
869	L	94.2	Very high	93.3	Very high	66 Å²	66	23.2 Å²	23.2	35%	0.346	12%	0.119	S	C	.	.	H	α-helix	trans	-64.2	-54.7	-178	-66.4	177.5	0	0	0	112.8	W866 T867 L871 I872 V873 L941 L944	W866-L869 PolarHBondContact O-N 3.02Å; T867-L869 VanDerWaalsContact C-N 3.33Å; T867-L869 PolarHBondContact O-N 3.19Å; L869-L871 PolarHBondContact O-N 2.94Å; L869-I872 WeakPolarHBondContact O-CG2 3.43Å; L869-V873 WeakPolarHBondContact O-CG2 3.47Å; L869-V873 PolarHBondContact O-N 3.43Å; L869-L941 HydrophobicContact CD2-CD1 3.76Å; L869-L944 HydrophobicContact CD1-CD2 3.62Å; L869-L944 HydrophobicContact CD2-CD2 4.08Å; L869-L944 HydrophobicContact CG-CD2 3.6Å
870	P	95	Very high	93.2	Very high	11 Å²	11	24.8 Å²	24.8	7%	0.071	13%	0.127	C	C	.	.	H	α-helix	trans	-65.6	-27.6	172.9	26.4	-34.1	0	0	0	112.1	C311 W314 F315 W866 T867 Y874	C311-P870 HydrophobicContact CB-CB 3.99Å; W314-P870 HydrophobicContact CB-CB 4.35Å; W314-P870 HydrophobicContact CB-CG 4.19Å; W314-P870 HydrophobicContact CD2-CG 4.14Å; W314-P870 HydrophobicContact CG-CB 4.4Å; W314-P870 HydrophobicContact CG-CG 3.74Å; F315-P870 HydrophobicContact CE1-CB 3.92Å; F315-P870 HydrophobicContact CE1-CG 3.94Å; F315-P870 HydrophobicContact CZ-CB 4.06Å; W866-P870 WeakPolarHBondContact O-CD 3.21Å; T867-P870 HydrophobicContact CG2-CG 4.43Å; T867-P870 WeakPolarHBondContact O-CD 3.38Å; T867-P870 WeakPolarHBondContact O-CG 3.49Å; P870-Y874 WeakPolarHBondContact O-CB 3.41Å; P870-Y874 PolarHBondContact O-N 3.02Å
871	L	94.6	Very high	92.9	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-49.9	177.1	-175.6	68.3	0	0	0	113	F315 T867 S868 L869 V873 Y874 C875 W932 V937	F315-L871 HydrophobicContact CE1-CB 4.39Å; F315-L871 HydrophobicContact CZ-CB 4.46Å; F315-L871 HydrophobicContact CZ-CD1 4.48Å; T867-L871 WeakPolarHBondContact O-CB 3.47Å; T867-L871 PolarHBondContact O-N 2.86Å; T867-L871 VanDerWaalsContact O-N 3.13Å; S868-L871 PolarHBondContact O-N 3.5Å; L869-L871 PolarHBondContact O-N 2.94Å; L871-V873 VanDerWaalsContact C-N 3.28Å; L871-V873 PolarHBondContact O-N 2.95Å; L871-Y874 PolarHBondContact O-N 3.31Å; L871-C875 WeakPolarHBondContact O-CB 3.27Å; L871-C875 PolarHBondContact O-N 2.8Å; L871-C875 PolarHBondContact O-SG 3.12Å; L871-C875 VanDerWaalsContact O-SG 3.4Å; L871-W932 HydrophobicContact CD1-CH2 4.3Å; L871-W932 HydrophobicContact CD1-CZ3 4.27Å; L871-V937 HydrophobicContact CD2-CG2 4.17Å; L871-V937 HydrophobicContact CG-CG2 4.29Å
872	I	94.5	Very high	92.7	Very high	39 Å²	39	23.2 Å²	23.2	20%	0.2	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-37.7	178.6	-173.1	163.3	0	0	0	111.5	S868 L869 S876 L941 P985 L989	S868-I872 WeakPolarHBondContact O-CG2 3.33Å; S868-I872 PolarHBondContact O-N 3.04Å; L869-I872 WeakPolarHBondContact O-CG2 3.43Å; I872-S876 WeakPolarHBondContact O-CB 3.29Å; I872-S876 PolarHBondContact O-N 3.43Å; I872-S876 PolarHBondContact O-OG 3.23Å; I872-L941 HydrophobicContact CD1-CD2 3.51Å; I872-L941 HydrophobicContact CG2-CD1 4.47Å; I872-L941 HydrophobicContact CG2-CD2 4.38Å; I872-P985 HydrophobicContact CD1-CB 4.32Å; I872-L989 HydrophobicContact CG1-CD1 4.28Å; I872-L989 HydrophobicContact CG1-CD2 4.27Å
873	V	94.4	Very high	92.4	Very high	58 Å²	58	26.7 Å²	26.7	35%	0.352	14%	0.136	S	C	.	.	H	α-helix	trans	-65.1	-51.7	174.9	173.8	0	0	0	0	110.6	I307 L869 L871 C875 S876 L877	I307-V873 HydrophobicContact CG2-CG1 3.32Å; L869-V873 WeakPolarHBondContact O-CG2 3.47Å; L869-V873 PolarHBondContact O-N 3.43Å; L871-V873 VanDerWaalsContact C-N 3.28Å; L871-V873 PolarHBondContact O-N 2.95Å; V873-C875 PolarHBondContact O-N 3.41Å; V873-S876 WeakPolarHBondContact O-CA 3.21Å; V873-S876 WeakPolarHBondContact O-CB 3.48Å; V873-S876 PolarHBondContact O-N 3.13Å; V873-L877 PolarHBondContact O-N 2.89Å
874	Y	93.2	Very high	92.1	Very high	63 Å²	63	29 Å²	29	25%	0.247	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-36.8	-178.5	-172.3	-96.4	0	0	0	113	C311 E312 F315 P870 L871 S876 L877 P878	C311-Y874 HydrophobicContact CB-CD2 4.17Å; E312-Y874 HydrophobicContact CG-CE2 4.31Å; F315-Y874 AromaticContact CE2-CD1 3.89Å; F315-Y874 HydrophobicContact CE2-CD1 3.89Å; F315-Y874 AromaticContact CE2-CD2 3.94Å; F315-Y874 HydrophobicContact CE2-CD2 3.94Å; F315-Y874 HydrophobicContact CE2-CE1 4.44Å; F315-Y874 HydrophobicContact CE2-CE2 4.47Å; F315-Y874 AromaticContact CE2-CG 3.61Å; F315-Y874 HydrophobicContact CE2-CG 3.61Å; F315-Y874 HydrophobicContact CZ-CD1 4.47Å; F315-Y874 HydrophobicContact CZ-CG 4.18Å; P870-Y874 WeakPolarHBondContact O-CB 3.41Å; P870-Y874 PolarHBondContact O-N 3.02Å; L871-Y874 PolarHBondContact O-N 3.31Å; Y874-S876 PolarHBondContact O-N 3.45Å; Y874-L877 HydrophobicContact CD2-CD1 4.2Å; Y874-L877 PolarHBondContact O-N 3.45Å; Y874-P878 WeakPolarHBondContact O-CD 3.37Å
875	C	93.5	Very high	91.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-73.6	-11.8	173	-67.5	0	0	0	0	113.8	L871 V873 L989 N993 V1025	L871-C875 WeakPolarHBondContact O-CB 3.27Å; L871-C875 PolarHBondContact O-N 2.8Å; L871-C875 PolarHBondContact O-SG 3.12Å; L871-C875 VanDerWaalsContact O-SG 3.4Å; V873-C875 PolarHBondContact O-N 3.41Å; C875-L989 HydrophobicContact CB-CD1 3.73Å; C875-N993 PolarHBondContact O-ND2 2.83Å; C875-V1025 HydrophobicContact CB-CG1 4.05Å; C875-V1025 HydrophobicContact CB-CG2 4.09Å
876	S	93	Very high	90.7	Very high	24 Å²	24	33.3 Å²	33.3	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-90.4	-28.4	171.6	-56.7	0	0	0	0	112.8	I872 V873 Y874 A879 I880 L989	I872-S876 WeakPolarHBondContact O-CB 3.29Å; I872-S876 PolarHBondContact O-N 3.43Å; I872-S876 PolarHBondContact O-OG 3.23Å; V873-S876 WeakPolarHBondContact O-CA 3.21Å; V873-S876 WeakPolarHBondContact O-CB 3.48Å; V873-S876 PolarHBondContact O-N 3.13Å; Y874-S876 PolarHBondContact O-N 3.45Å; S876-A879 PolarHBondContact O-N 2.91Å; S876-I880 WeakPolarHBondContact O-CG1 3.41Å; S876-I880 PolarHBondContact O-N 3.33Å; S876-I880 VanDerWaalsContact O-N 3.1Å; S876-L989 VanDerWaalsContact OG-CD2 3.28Å; S876-L989 WeakPolarHBondContact OG-CD2 3.48Å
877	L	92.1	Very high	90	Very high	6 Å²	6	33 Å²	33	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-54.6	-42.2	-177	-75.1	176.7	0	0	0	114.6	L304 I307 V873 Y874 I880 C881 I888	L304-L877 HydrophobicContact CD2-CD2 4.13Å; I307-L877 HydrophobicContact CG2-CD2 4.27Å; V873-L877 PolarHBondContact O-N 2.89Å; Y874-L877 HydrophobicContact CD2-CD1 4.2Å; Y874-L877 PolarHBondContact O-N 3.45Å; L877-I880 PolarHBondContact O-N 2.88Å; L877-C881 WeakPolarHBondContact O-CB 3.47Å; L877-C881 PolarHBondContact O-N 2.9Å; L877-C881 PolarHBondContact O-SG 3.23Å; L877-I888 HydrophobicContact CB-CD1 3.89Å; L877-I888 HydrophobicContact CD1-CD1 4.03Å; L877-I888 HydrophobicContact CD2-CD1 4.14Å; L877-I888 HydrophobicContact CG-CD1 4.24Å
878	P	90.7	Very high	89.2	Confident	11 Å²	11	33.6 Å²	33.6	7%	0.071	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-44.2	179.4	-24.1	35	0	0	0	112.7	Y874 I880 C881 L882 F1021 A1022 V1025	Y874-P878 WeakPolarHBondContact O-CD 3.37Å; P878-I880 PolarHBondContact O-N 3.21Å; P878-C881 PolarHBondContact O-N 3.42Å; P878-L882 WeakPolarHBondContact O-CG 3.19Å; P878-L882 PolarHBondContact O-N 3.45Å; P878-F1021 HydrophobicContact CB-CB 3.93Å; P878-F1021 HydrophobicContact CG-CB 3.66Å; P878-A1022 HydrophobicContact CB-CB 3.83Å; P878-V1025 HydrophobicContact CG-CG2 4.41Å
879	A	91.4	Very high	88.4	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-45.8	174.9	0	0	0	0	0	111.6	S876 C881 L882 L883 I992	S876-A879 PolarHBondContact O-N 2.91Å; A879-C881 VanDerWaalsContact C-N 3.32Å; A879-C881 PolarHBondContact O-N 3.48Å; A879-L882 PolarHBondContact O-N 3.22Å; A879-L883 WeakPolarHBondContact O-CB 3.28Å; A879-L883 VanDerWaalsContact O-CG 3.25Å; A879-L883 WeakPolarHBondContact O-CG 3.33Å; A879-L883 PolarHBondContact O-N 2.92Å; A879-I992 HydrophobicContact CB-CB 4.49Å; A879-I992 HydrophobicContact CB-CG1 4.1Å; A879-I992 HydrophobicContact CB-CG2 4.04Å; A879-I992 WeakPolarHBondContact CB-O 3.36Å
880	I	91.6	Very high	87.4	Confident	58 Å²	58	33.1 Å²	33.1	30%	0.297	18%	0.184	S	C	.	.	H	α-helix	trans	-62	-39.7	177.7	-64.9	165.7	0	0	0	111	L304 S876 L877 P878 L883 T884	L304-I880 HydrophobicContact CD1-CG2 4.41Å; L304-I880 HydrophobicContact CD2-CG2 3.92Å; S876-I880 WeakPolarHBondContact O-CG1 3.41Å; S876-I880 PolarHBondContact O-N 3.33Å; S876-I880 VanDerWaalsContact O-N 3.1Å; L877-I880 PolarHBondContact O-N 2.88Å; P878-I880 PolarHBondContact O-N 3.21Å; I880-L883 PolarHBondContact O-N 2.75Å; I880-T884 HydrophobicContact CG2-CG2 4.08Å; I880-T884 VanDerWaalsContact O-CB 3.32Å; I880-T884 WeakPolarHBondContact O-CB 3.15Å; I880-T884 VanDerWaalsContact O-CG2 3.31Å; I880-T884 WeakPolarHBondContact O-CG2 3.39Å; I880-T884 PolarHBondContact O-N 3.41Å; I880-T884 PolarHBondContact O-OG1 2.82Å
881	C	87.9	Confident	86.2	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-71.9	-31.2	178.6	-67.3	0	0	0	0	113.7	L877 P878 A879 G885 K886 I888	L877-C881 WeakPolarHBondContact O-CB 3.47Å; L877-C881 PolarHBondContact O-N 2.9Å; L877-C881 PolarHBondContact O-SG 3.23Å; P878-C881 PolarHBondContact O-N 3.42Å; A879-C881 VanDerWaalsContact C-N 3.32Å; A879-C881 PolarHBondContact O-N 3.48Å; C881-G885 PolarHBondContact O-N 2.92Å; C881-K886 WeakPolarHBondContact CA-O 3.29Å; C881-K886 WeakPolarHBondContact CB-O 3.37Å; C881-I888 VanDerWaalsContact SG-CD1 3.53Å; C881-I888 WeakPolarHBondContact SG-CG1 3.09Å
882	L	87.1	Confident	85.2	Confident	9 Å²	9	46 Å²	46	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-70.6	-41.8	171.5	-71.7	162	0	0	0	111.3	P878 A879 G996 V997 L1015 R1018 L1019 A1022	P878-L882 WeakPolarHBondContact O-CG 3.19Å; P878-L882 PolarHBondContact O-N 3.45Å; A879-L882 PolarHBondContact O-N 3.22Å; L882-G996 WeakPolarHBondContact CB-O 3.47Å; L882-V997 HydrophobicContact CD1-CG2 4.09Å; L882-L1015 HydrophobicContact CD2-CD1 4.31Å; L882-R1018 HydrophobicContact CD2-CB 3.52Å; L882-R1018 HydrophobicContact CG-CB 3.94Å; L882-L1019 HydrophobicContact CD1-CD2 4.37Å; L882-L1019 HydrophobicContact CD2-CD2 3.92Å; L882-L1019 HydrophobicContact CD2-CG 4.44Å; L882-A1022 HydrophobicContact CD1-CB 3.56Å
883	L	86.8	Confident	84.5	Confident	75 Å²	75	46.7 Å²	46.7	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-77.3	-29.2	-177.8	-67.9	170.7	0	0	0	114.5	A879 I880 I992 I995 V999	A879-L883 WeakPolarHBondContact O-CB 3.28Å; A879-L883 VanDerWaalsContact O-CG 3.25Å; A879-L883 WeakPolarHBondContact O-CG 3.33Å; A879-L883 PolarHBondContact O-N 2.92Å; I880-L883 PolarHBondContact O-N 2.75Å; L883-I992 HydrophobicContact CD1-CG1 4.28Å; L883-I995 HydrophobicContact CD2-CG2 4.38Å; L883-V999 HydrophobicContact CD2-CB 3.96Å; L883-V999 HydrophobicContact CD2-CG1 4.05Å; L883-V999 HydrophobicContact CD2-CG2 3.97Å
884	T	85.2	Confident	84.1	Confident	76 Å²	76	50.8 Å²	50.8	47%	0.466	27%	0.274	S	S	.	.	S	Bend	trans	-97.9	-3.1	-177.5	59.8	0	0	0	0	114.1	I880 K886	I880-T884 HydrophobicContact CG2-CG2 4.08Å; I880-T884 VanDerWaalsContact O-CB 3.32Å; I880-T884 WeakPolarHBondContact O-CB 3.15Å; I880-T884 VanDerWaalsContact O-CG2 3.31Å; I880-T884 WeakPolarHBondContact O-CG2 3.39Å; I880-T884 PolarHBondContact O-N 3.41Å; I880-T884 PolarHBondContact O-OG1 2.82Å; T884-K886 PolarHBondContact O-N 3.34Å
885	G	77.1	Confident	83.8	Confident	39 Å²	39	53.3 Å²	53.3	40%	0.402	28%	0.284	S	S	.	.	S	Bend	trans	69	-7.7	-174.2	0	0	0	0	0	115.3	C881 R1018	C881-G885 PolarHBondContact O-N 2.92Å; G885-R1018 VanDerWaalsContact C-NH1 3.27Å; G885-R1018 VanDerWaalsContact O-CZ 3.22Å; G885-R1018 PolarHBondContact O-NH1 2.94Å; G885-R1018 PolarHBondContact O-NH2 3.33Å
886	K	80.8	Confident	83.4	Confident	104 Å²	104	53.3 Å²	53.3	45%	0.452	28%	0.284	S	S	.	.			trans	-86.7	152.2	-177.4	-63.6	-164.6	174	-164	0	112.3	D300 A301 L304 C881 T884	D300-K886 PolarHBondContact O-NZ 3.39Å; A301-K886 HydrophobicContact CB-CB 4.24Å; A301-K886 HydrophobicContact CB-CD 4.28Å; L304-K886 HydrophobicContact CD1-CB 4.27Å; C881-K886 WeakPolarHBondContact CA-O 3.29Å; C881-K886 WeakPolarHBondContact CB-O 3.37Å; T884-K886 PolarHBondContact O-N 3.34Å
887	F	78.1	Confident	83.1	Confident	41 Å²	41	54.9 Å²	54.9	18%	0.18	29%	0.294	C	S	.	.			trans	-125.2	149.4	179.5	-161.2	-136.8	0	0	0	112	V889 R1018	F887-V889 HydrophobicContact CD1-CB 4.24Å; F887-V889 WeakPolarHBondContact CD1-O 3.43Å; F887-V889 HydrophobicContact CE1-CB 3.8Å; F887-V889 HydrophobicContact CE1-CG2 4.33Å; F887-V889 HydrophobicContact CZ-CB 4.24Å; F887-V889 HydrophobicContact CZ-CG2 4.27Å; F887-R1018 HydrophobicContact CD2-CG 3.51Å; F887-R1018 HydrophobicContact CE2-CG 3.61Å
888	I	78	Confident	83	Confident	17 Å²	17	60 Å²	60	9%	0.087	32%	0.321	C	S	.	.	S	Bend	trans	-94.4	-17.6	-171.3	-39.5	-173.4	0	0	0	112.2	R293 V298 W305 S308 L877 C881	R293-I888 PolarHBondContact NH1-O 2.85Å; V298-I888 WeakPolarHBondContact CG2-O 3.19Å; W305-I888 HydrophobicContact CB-CG2 4.42Å; S308-I888 VanDerWaalsContact CB-CG2 3.41Å; L877-I888 HydrophobicContact CB-CD1 3.89Å; L877-I888 HydrophobicContact CD1-CD1 4.03Å; L877-I888 HydrophobicContact CD2-CD1 4.14Å; L877-I888 HydrophobicContact CG-CD1 4.24Å; C881-I888 VanDerWaalsContact SG-CD1 3.53Å; C881-I888 WeakPolarHBondContact SG-CG1 3.09Å
889	V	77.4	Confident	83	Confident	18 Å²	18	60 Å²	60	11%	0.109	32%	0.32	C	S	.	.	S	Bend	trans	-106.7	132.1	179.5	-168.1	0	0	0	0	107.2	F887 I892 F900	F887-V889 HydrophobicContact CD1-CB 4.24Å; F887-V889 WeakPolarHBondContact CD1-O 3.43Å; F887-V889 HydrophobicContact CE1-CB 3.8Å; F887-V889 HydrophobicContact CE1-CG2 4.33Å; F887-V889 HydrophobicContact CZ-CB 4.24Å; F887-V889 HydrophobicContact CZ-CG2 4.27Å; V889-I892 HydrophobicContact CG1-CG1 4.33Å; V889-F900 HydrophobicContact CG1-CE2 3.9Å; V889-F900 HydrophobicContact CG1-CZ 3.84Å; V889-F900 HydrophobicContact CG2-CZ 4.38Å
890	P	73.1	Confident	82.9	Confident	38 Å²	38	61.7 Å²	61.7	25%	0.247	33%	0.327	C	S	.	.			trans	-66.6	173.3	171	31.1	-35.6	0	0	0	110.5	H296 V298 I892	H296-P890 HydrophobicContact CB-CG 4.36Å; V298-P890 HydrophobicContact CG2-CB 4.16Å; V298-P890 HydrophobicContact CG2-CG 4.42Å; P890-I892 PolarHBondContact O-N 3.46Å
891	E	69.8	Low	82.9	Confident	189 Å²	189	64.4 Å²	64.4	88%	0.883	34%	0.34	S	S	*	.			trans	-53	129.3	174.3	-63.8	-173.9	158.1	0	0	111.3	S893	E891-S893 PolarHBondContact O-N 2.89Å
892	I	73.4	Confident	83.2	Confident	98 Å²	98	65.9 Å²	65.9	50%	0.503	35%	0.353	S	S	.	.			trans	-81.3	94.5	-164.9	-54.6	179.7	0	0	0	109.3	V889 P890 A896	V889-I892 HydrophobicContact CG1-CG1 4.33Å; P890-I892 PolarHBondContact O-N 3.46Å; I892-A896 HydrophobicContact CG2-CB 3.92Å
893	S	79.8	Confident	83.5	Confident	53 Å²	53	66.4 Å²	66.4	37%	0.371	36%	0.355	S	S	.	.			trans	-59.5	157.3	170.9	76	0	0	0	0	111.6	E891 Y895 A896 S897	E891-S893 PolarHBondContact O-N 2.89Å; S893-Y895 PolarHBondContact O-N 3.33Å; S893-Y895 VanDerWaalsContact O-N 3.1Å; S893-A896 WeakPolarHBondContact O-CA 3.28Å; S893-A896 WeakPolarHBondContact O-CB 3.18Å; S893-A896 PolarHBondContact O-N 2.83Å; S893-A896 PolarHBondContact OG-N 2.98Å; S893-S897 PolarHBondContact O-N 3.37Å
894	N	85.3	Confident	83.7	Confident	143 Å²	143	67.4 Å²	67.4	77%	0.765	36%	0.357	S	S	*	.	H	α-helix	trans	-51.4	-37.8	177.4	-68.1	-23.8	0	0	0	112.5	I898	N894-I898 WeakPolarHBondContact O-CD1 3.4Å; N894-I898 VanDerWaalsContact O-CG1 3.28Å; N894-I898 WeakPolarHBondContact O-CG1 3.39Å; N894-I898 PolarHBondContact O-N 3.47Å; N894-I898 VanDerWaalsContact O-N 3.14Å
895	Y	87.3	Confident	84.1	Confident	117 Å²	117	66.5 Å²	66.5	46%	0.459	35%	0.354	S	S	.	.	H	α-helix	trans	-67.3	-43.8	175.6	-179.4	-104.8	0	0	0	112.8	Y292 S893 I898 L899	Y292-Y895 AromaticContact CD2-CD1 3.8Å; Y292-Y895 HydrophobicContact CD2-CD1 3.8Å; Y292-Y895 AromaticContact CD2-CE1 3.82Å; Y292-Y895 HydrophobicContact CD2-CE1 3.82Å; Y292-Y895 HydrophobicContact CE2-CD1 4.2Å; Y292-Y895 HydrophobicContact CG-CE1 4.29Å; S893-Y895 PolarHBondContact O-N 3.33Å; S893-Y895 VanDerWaalsContact O-N 3.1Å; Y895-I898 PolarHBondContact O-N 2.84Å; Y895-L899 HydrophobicContact CD1-CD1 4.07Å; Y895-L899 HydrophobicContact CE1-CD1 3.45Å; Y895-L899 VanDerWaalsContact CE1-CD1 3.45Å; Y895-L899 HydrophobicContact CE1-CG 4.18Å; Y895-L899 PolarHBondContact O-N 2.82Å; Y895-L899 VanDerWaalsContact O-N 3.08Å
896	A	85.1	Confident	85	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175.8	0	0	0	0	0	111.3	Y292 I892 S893 I898 L899 F900	Y292-A896 HydrophobicContact CE1-CB 3.67Å; Y292-A896 HydrophobicContact CE2-CB 4.38Å; I892-A896 HydrophobicContact CG2-CB 3.92Å; S893-A896 WeakPolarHBondContact O-CA 3.28Å; S893-A896 WeakPolarHBondContact O-CB 3.18Å; S893-A896 PolarHBondContact O-N 2.83Å; S893-A896 PolarHBondContact OG-N 2.98Å; A896-I898 VanDerWaalsContact C-N 3.33Å; A896-I898 PolarHBondContact O-N 3.29Å; A896-L899 PolarHBondContact O-N 3.25Å; A896-L899 VanDerWaalsContact O-N 3.11Å; A896-F900 VanDerWaalsContact O-CD2 3.24Å; A896-F900 WeakPolarHBondContact O-CD2 3.4Å; A896-F900 PolarHBondContact O-N 2.92Å
897	S	86.2	Confident	85.6	Confident	56 Å²	56	62.8 Å²	62.8	39%	0.392	33%	0.329	S	S	.	.	H	α-helix	trans	-56.2	-46.5	176.7	-174.4	0	0	0	0	111.7	S893 L899 F900 M901	S893-S897 PolarHBondContact O-N 3.37Å; S897-L899 PolarHBondContact O-N 3.47Å; S897-F900 PolarHBondContact O-N 2.93Å; S897-M901 WeakPolarHBondContact O-CB 3.47Å; S897-M901 VanDerWaalsContact O-CG 3.32Å; S897-M901 WeakPolarHBondContact O-CG 3.35Å; S897-M901 PolarHBondContact O-N 3.19Å
898	I	91.2	Very high	86.3	Confident	114 Å²	114	63.3 Å²	63.3	59%	0.585	34%	0.342	S	S	*	.	H	α-helix	trans	-60.6	-41.9	175.8	-68.4	164	0	0	0	111.6	N894 Y895 A896 A902	N894-I898 WeakPolarHBondContact O-CD1 3.4Å; N894-I898 VanDerWaalsContact O-CG1 3.28Å; N894-I898 WeakPolarHBondContact O-CG1 3.39Å; N894-I898 PolarHBondContact O-N 3.47Å; N894-I898 VanDerWaalsContact O-N 3.14Å; Y895-I898 PolarHBondContact O-N 2.84Å; A896-I898 VanDerWaalsContact C-N 3.33Å; A896-I898 PolarHBondContact O-N 3.29Å; I898-A902 WeakPolarHBondContact O-CB 3.48Å; I898-A902 PolarHBondContact O-N 3.18Å
899	L	91.5	Very high	87	Confident	11 Å²	11	66.2 Å²	66.2	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-44.5	177	-72.5	179.7	0	0	0	112.7	L288 Y292 Y895 A896 S897 L903	L288-L899 HydrophobicContact CB-CD2 3.88Å; Y292-L899 HydrophobicContact CD1-CD1 4.36Å; Y292-L899 HydrophobicContact CG-CD1 3.91Å; Y895-L899 HydrophobicContact CD1-CD1 4.07Å; Y895-L899 HydrophobicContact CE1-CD1 3.45Å; Y895-L899 VanDerWaalsContact CE1-CD1 3.45Å; Y895-L899 HydrophobicContact CE1-CG 4.18Å; Y895-L899 PolarHBondContact O-N 2.82Å; Y895-L899 VanDerWaalsContact O-N 3.08Å; A896-L899 PolarHBondContact O-N 3.25Å; A896-L899 VanDerWaalsContact O-N 3.11Å; S897-L899 PolarHBondContact O-N 3.47Å; L899-L903 WeakPolarHBondContact O-CB 3.26Å; L899-L903 PolarHBondContact O-N 3.35Å
900	F	89.3	Confident	87.7	Confident	35 Å²	35	65.4 Å²	65.4	15%	0.154	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-47.4	175.8	-81.9	-73.5	0	0	0	111.3	F289 V889 A896 S897 L903 F904	F289-F900 AromaticContact CE2-CD1 3.9Å; F289-F900 HydrophobicContact CE2-CD1 3.9Å; F289-F900 AromaticContact CE2-CE1 3.53Å; F289-F900 HydrophobicContact CE2-CE1 3.53Å; F289-F900 HydrophobicContact CE2-CE2 4.48Å; F289-F900 AromaticContact CE2-CZ 3.85Å; F289-F900 HydrophobicContact CE2-CZ 3.85Å; F289-F900 HydrophobicContact CZ-CE1 4.03Å; F289-F900 HydrophobicContact CZ-CZ 4.39Å; V889-F900 HydrophobicContact CG1-CE2 3.9Å; V889-F900 HydrophobicContact CG1-CZ 3.84Å; V889-F900 HydrophobicContact CG2-CZ 4.38Å; A896-F900 VanDerWaalsContact O-CD2 3.24Å; A896-F900 WeakPolarHBondContact O-CD2 3.4Å; A896-F900 PolarHBondContact O-N 2.92Å; S897-F900 PolarHBondContact O-N 2.93Å; F900-L903 PolarHBondContact O-N 3.14Å; F900-F904 HydrophobicContact CD1-CE2 4.32Å; F900-F904 WeakPolarHBondContact O-CD2 3.35Å; F900-F904 PolarHBondContact O-N 2.9Å
901	M	90.9	Very high	88.6	Confident	116 Å²	116	63.8 Å²	63.8	57%	0.571	34%	0.342	S	S	*	.	H	α-helix	trans	-62.1	-46.5	178	-72.3	-61.1	-66.5	0	0	111.9	S897 L903 F904 S905	S897-M901 WeakPolarHBondContact O-CB 3.47Å; S897-M901 VanDerWaalsContact O-CG 3.32Å; S897-M901 WeakPolarHBondContact O-CG 3.35Å; S897-M901 PolarHBondContact O-N 3.19Å; M901-L903 VanDerWaalsContact C-N 3.28Å; M901-L903 PolarHBondContact O-N 3.08Å; M901-F904 PolarHBondContact O-N 2.92Å; M901-S905 WeakPolarHBondContact O-CB 3.38Å; M901-S905 PolarHBondContact O-N 3.34Å; M901-S905 PolarHBondContact O-OG 2.94Å
902	A	93.8	Very high	89.7	Confident	34 Å²	34	58.8 Å²	58.8	28%	0.281	32%	0.32	S	S	.	.	H	α-helix	trans	-59.4	-39.6	175.7	0	0	0	0	0	111.8	I285 I898 S906	I285-A902 HydrophobicContact CD1-CB 4.16Å; I285-A902 HydrophobicContact CG1-CB 4.46Å; I285-A902 HydrophobicContact CG2-CB 4.16Å; I898-A902 WeakPolarHBondContact O-CB 3.48Å; I898-A902 PolarHBondContact O-N 3.18Å; A902-S906 WeakPolarHBondContact O-CB 3.49Å; A902-S906 PolarHBondContact O-N 3.27Å; A902-S906 PolarHBondContact O-OG 3.08Å
903	L	92.9	Very high	90.6	Very high	19 Å²	19	55.3 Å²	55.3	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-55.1	175.7	179.6	57.1	0	0	0	111.2	I285 L286 F289 L899 F900 M901 S905 S906 I907	I285-L903 HydrophobicContact CG2-CB 4.03Å; I285-L903 HydrophobicContact CG2-CD1 4.46Å; L286-L903 HydrophobicContact CD2-CD1 3.63Å; L286-L903 HydrophobicContact CD2-CD2 4.44Å; L286-L903 HydrophobicContact CG-CD1 4.01Å; F289-L903 HydrophobicContact CD1-CD2 4.35Å; F289-L903 HydrophobicContact CD2-CD2 4.03Å; F289-L903 HydrophobicContact CE2-CD2 4.23Å; F289-L903 HydrophobicContact CG-CD2 4.1Å; F289-L903 HydrophobicContact CZ-CD2 4.48Å; L899-L903 WeakPolarHBondContact O-CB 3.26Å; L899-L903 PolarHBondContact O-N 3.35Å; F900-L903 PolarHBondContact O-N 3.14Å; M901-L903 VanDerWaalsContact C-N 3.28Å; M901-L903 PolarHBondContact O-N 3.08Å; L903-S905 PolarHBondContact O-N 2.89Å; L903-S906 PolarHBondContact O-N 3.13Å; L903-S906 VanDerWaalsContact O-N 3.15Å; L903-S906 PolarHBondContact O-OG 2.93Å; L903-I907 HydrophobicContact CD1-CD1 3.96Å; L903-I907 HydrophobicContact CD1-CG1 4.26Å; L903-I907 HydrophobicContact CG-CD1 3.95Å; L903-I907 VanDerWaalsContact O-CG1 3.29Å; L903-I907 WeakPolarHBondContact O-CG1 3.42Å; L903-I907 PolarHBondContact O-N 3.35Å
904	F	92.4	Very high	91.2	Very high	96 Å²	96	53.3 Å²	53.3	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-45	179.6	-74.9	-62.6	0	0	0	112.7	F900 M901 S906 I907 A908 F1020	F900-F904 HydrophobicContact CD1-CE2 4.32Å; F900-F904 WeakPolarHBondContact O-CD2 3.35Å; F900-F904 PolarHBondContact O-N 2.9Å; M901-F904 PolarHBondContact O-N 2.92Å; F904-S906 PolarHBondContact O-N 3.11Å; F904-I907 PolarHBondContact O-N 3.43Å; F904-A908 PolarHBondContact O-N 2.9Å; F904-F1020 HydrophobicContact CZ-CE1 4.49Å
905	S	93.8	Very high	91.4	Very high	58 Å²	58	47.6 Å²	47.6	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-41.6	174.6	-61.7	0	0	0	0	112	M901 L903 I907 A908 I909	M901-S905 WeakPolarHBondContact O-CB 3.38Å; M901-S905 PolarHBondContact O-N 3.34Å; M901-S905 PolarHBondContact O-OG 2.94Å; L903-S905 PolarHBondContact O-N 2.89Å; S905-I907 VanDerWaalsContact C-N 3.32Å; S905-I907 PolarHBondContact O-N 3.15Å; S905-A908 PolarHBondContact O-N 3.4Å; S905-I909 WeakPolarHBondContact O-CB 3.37Å; S905-I909 WeakPolarHBondContact O-CD1 3.37Å; S905-I909 WeakPolarHBondContact O-CG1 3.24Å; S905-I909 PolarHBondContact O-N 2.92Å
906	S	94.8	Very high	91.6	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-36.1	177.2	77.9	0	0	0	0	112.5	R282 A902 L903 F904 T910	R282-S906 WeakPolarHBondContact CG-OG 3.2Å; A902-S906 WeakPolarHBondContact O-CB 3.49Å; A902-S906 PolarHBondContact O-N 3.27Å; A902-S906 PolarHBondContact O-OG 3.08Å; L903-S906 PolarHBondContact O-N 3.13Å; L903-S906 VanDerWaalsContact O-N 3.15Å; L903-S906 PolarHBondContact O-OG 2.93Å; F904-S906 PolarHBondContact O-N 3.11Å; S906-T910 VanDerWaalsContact O-CB 3.24Å; S906-T910 WeakPolarHBondContact O-CB 3.07Å; S906-T910 PolarHBondContact O-N 3.42Å; S906-T910 PolarHBondContact O-OG1 2.93Å
907	I	92.9	Very high	91.9	Very high	59 Å²	59	46.9 Å²	46.9	30%	0.303	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-54.6	175.4	-66.2	161.3	0	0	0	109.8	L903 F904 S905 I909 T910 G911	L903-I907 HydrophobicContact CD1-CD1 3.96Å; L903-I907 HydrophobicContact CD1-CG1 4.26Å; L903-I907 HydrophobicContact CG-CD1 3.95Å; L903-I907 VanDerWaalsContact O-CG1 3.29Å; L903-I907 WeakPolarHBondContact O-CG1 3.42Å; L903-I907 PolarHBondContact O-N 3.35Å; F904-I907 PolarHBondContact O-N 3.43Å; S905-I907 VanDerWaalsContact C-N 3.32Å; S905-I907 PolarHBondContact O-N 3.15Å; I907-I909 PolarHBondContact O-N 3.24Å; I907-T910 PolarHBondContact O-N 3.36Å; I907-G911 PolarHBondContact O-N 3.4Å
908	A	92.6	Very high	91.9	Very high	53 Å²	53	44.2 Å²	44.2	44%	0.438	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-48.1	-177.5	0	0	0	0	0	112.4	F904 S905 T910 G911 I912	F904-A908 PolarHBondContact O-N 2.9Å; S905-A908 PolarHBondContact O-N 3.4Å; A908-T910 PolarHBondContact O-N 3.38Å; A908-G911 PolarHBondContact O-N 3.08Å; A908-I912 VanDerWaalsContact O-CG1 3.3Å; A908-I912 WeakPolarHBondContact O-CG1 3.39Å; A908-I912 PolarHBondContact O-N 3.47Å
909	I	94	Very high	91.8	Very high	77 Å²	77	45.6 Å²	45.6	40%	0.395	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-37.9	-179.8	-59.6	165.3	0	0	0	110.8	L278 S905 I907 I912 L913	L278-I909 HydrophobicContact CD1-CG2 3.7Å; L278-I909 HydrophobicContact CD2-CG2 4.27Å; S905-I909 WeakPolarHBondContact O-CB 3.37Å; S905-I909 WeakPolarHBondContact O-CD1 3.37Å; S905-I909 WeakPolarHBondContact O-CG1 3.24Å; S905-I909 PolarHBondContact O-N 2.92Å; I907-I909 PolarHBondContact O-N 3.24Å; I909-I912 PolarHBondContact O-N 2.74Å; I909-L913 WeakPolarHBondContact O-CG 3.04Å; I909-L913 PolarHBondContact O-N 3.43Å
910	T	92.5	Very high	91.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-46.6	175.6	-57.1	0	0	0	0	111.1	Y275 I279 S906 I907 A908 L913 E914	Y275-T910 HydrophobicContact CD2-CG2 4.38Å; Y275-T910 HydrophobicContact CE2-CG2 4.02Å; I279-T910 HydrophobicContact CG1-CG2 4.3Å; S906-T910 VanDerWaalsContact O-CB 3.24Å; S906-T910 WeakPolarHBondContact O-CB 3.07Å; S906-T910 PolarHBondContact O-N 3.42Å; S906-T910 PolarHBondContact O-OG1 2.93Å; I907-T910 PolarHBondContact O-N 3.36Å; A908-T910 PolarHBondContact O-N 3.38Å; T910-L913 PolarHBondContact O-N 3.15Å; T910-E914 WeakPolarHBondContact O-CB 3.47Å; T910-E914 PolarHBondContact O-N 3.45Å
911	G	91	Very high	91.6	Very high	5 Å²	5	45.7 Å²	45.7	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-43	178	0	0	0	0	0	112.8	I907 A908 L913 E914 M915	I907-G911 PolarHBondContact O-N 3.4Å; A908-G911 PolarHBondContact O-N 3.08Å; G911-L913 VanDerWaalsContact C-N 3.33Å; G911-L913 PolarHBondContact O-N 2.89Å; G911-E914 WeakPolarHBondContact O-CB 3.38Å; G911-E914 PolarHBondContact O-N 2.99Å; G911-M915 WeakPolarHBondContact O-CG 3.36Å; G911-M915 PolarHBondContact O-N 2.91Å
912	I	92.5	Very high	91.5	Very high	84 Å²	84	45.5 Å²	45.5	43%	0.431	25%	0.251	S	S	.	.	H	α-helix	trans	-59	-43.6	175.2	-69.4	164.7	0	0	0	111.2	A908 I909 M915 Q916	A908-I912 VanDerWaalsContact O-CG1 3.3Å; A908-I912 WeakPolarHBondContact O-CG1 3.39Å; A908-I912 PolarHBondContact O-N 3.47Å; I909-I912 PolarHBondContact O-N 2.74Å; I912-M915 HydrophobicContact CG1-CE 4.24Å; I912-Q916 WeakPolarHBondContact O-CB 3.37Å; I912-Q916 VanDerWaalsContact O-CG 3.27Å; I912-Q916 WeakPolarHBondContact O-CG 3.47Å; I912-Q916 PolarHBondContact O-N 2.88Å
913	L	92.6	Very high	91.2	Very high	24 Å²	24	48.7 Å²	48.7	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-69.3	-36.2	176.1	-69.7	-175.3	0	0	0	113	P274 Y275 L278 I909 T910 G911 Q916 W917	P274-L913 HydrophobicContact CB-CD1 4.14Å; Y275-L913 HydrophobicContact CD2-CB 4.06Å; L278-L913 HydrophobicContact CD1-CD1 3.38Å; I909-L913 WeakPolarHBondContact O-CG 3.04Å; I909-L913 PolarHBondContact O-N 3.43Å; T910-L913 PolarHBondContact O-N 3.15Å; G911-L913 VanDerWaalsContact C-N 3.33Å; G911-L913 PolarHBondContact O-N 2.89Å; L913-Q916 PolarHBondContact O-N 3.18Å; L913-W917 PolarHBondContact O-N 3.01Å
914	E	91.7	Very high	90.9	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-49.5	175.3	-157	175.3	-128.6	0	0	110.8	Y275 Q323 K326 I617 T910 G911 Q916 W917 G918	Y275-E914 HydrophobicContact CE2-CB 3.79Å; Y275-E914 HydrophobicContact CE2-CG 3.94Å; Y275-E914 PolarHBondContact OH-OE1 2.56Å; Q323-E914 PolarHBondContact NE2-OE1 3Å; K326-E914 VanDerWaalsContact CD-OE1 3.28Å; K326-E914 WeakPolarHBondContact CD-OE1 3.43Å; K326-E914 IonicContact NZ-OE1 3.57Å; K326-E914 PolarHBondContact NZ-OE1 2.74Å; K326-E914 IonicContact NZ-OE2 3.27Å; I617-E914 HydrophobicContact CD1-CG 4.2Å; I617-E914 HydrophobicContact CG2-CG 3.9Å; T910-E914 WeakPolarHBondContact O-CB 3.47Å; T910-E914 PolarHBondContact O-N 3.45Å; G911-E914 WeakPolarHBondContact O-CB 3.38Å; G911-E914 PolarHBondContact O-N 2.99Å; E914-Q916 PolarHBondContact O-N 3.49Å; E914-W917 HydrophobicContact CG-CZ2 4.4Å; E914-W917 PolarHBondContact O-N 3.38Å; E914-G918 PolarHBondContact O-N 3.34Å
915	M	90.9	Very high	90.8	Very high	22 Å²	22	47.3 Å²	47.3	11%	0.108	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-44.2	173.3	-68.1	-175.4	-72.2	0	0	112.1	G911 I912 W917 G918 K919 V920 I922 W925	G911-M915 WeakPolarHBondContact O-CG 3.36Å; G911-M915 PolarHBondContact O-N 2.91Å; I912-M915 HydrophobicContact CG1-CE 4.24Å; M915-W917 VanDerWaalsContact C-N 3.33Å; M915-W917 PolarHBondContact O-N 3.04Å; M915-G918 PolarHBondContact O-N 2.91Å; M915-K919 PolarHBondContact O-N 3.22Å; M915-V920 PolarHBondContact O-N 3.38Å; M915-I922 HydrophobicContact CE-CB 4.49Å; M915-I922 HydrophobicContact CE-CD1 4.29Å; M915-I922 HydrophobicContact CE-CG1 4.12Å; M915-I922 HydrophobicContact SD-CB 4.02Å; M915-I922 HydrophobicContact SD-CG1 4.06Å; M915-W925 HydrophobicContact CG-CB 4.07Å; M915-W925 HydrophobicContact CG-CG 3.94Å; M915-W925 HydrophobicContact SD-CB 3.63Å; M915-W925 HydrophobicContact SD-CD2 4.14Å; M915-W925 HydrophobicContact SD-CE3 4.46Å; M915-W925 HydrophobicContact SD-CG 3.77Å
916	Q	91.2	Very high	90.6	Very high	98 Å²	98	49.1 Å²	49.1	46%	0.458	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-30.6	-179.9	-80.6	-176.2	22.9	0	0	114.2	K271 I912 L913 E914	K271-Q916 PolarHBondContact NZ-O 3.34Å; I912-Q916 WeakPolarHBondContact O-CB 3.37Å; I912-Q916 VanDerWaalsContact O-CG 3.27Å; I912-Q916 WeakPolarHBondContact O-CG 3.47Å; I912-Q916 PolarHBondContact O-N 2.88Å; L913-Q916 PolarHBondContact O-N 3.18Å; E914-Q916 PolarHBondContact O-N 3.49Å
917	W	90.6	Very high	90.2	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-92	-33.8	174.4	74.3	-110.7	0	0	0	113.2	I267 K271 Y275 P329 I617 L913 E914 M915 K919	I267-W917 HydrophobicContact CD1-CB 4.36Å; I267-W917 HydrophobicContact CD1-CD2 4.06Å; I267-W917 HydrophobicContact CD1-CE3 3.35Å; I267-W917 HydrophobicContact CD1-CZ3 3.96Å; I267-W917 HydrophobicContact CG2-CB 4.19Å; K271-W917 HydrophobicContact CB-CB 4.39Å; K271-W917 HydrophobicContact CD-CB 4.43Å; Y275-W917 AromaticContact CD1-NE1 3.44Å; Y275-W917 AromaticContact CD2-NE1 3.69Å; Y275-W917 AromaticContact CE1-CE2 3.91Å; Y275-W917 AromaticContact CE1-CZ2 3.97Å; Y275-W917 HydrophobicContact CE1-CZ2 3.97Å; Y275-W917 AromaticContact CE1-NE1 3.3Å; Y275-W917 VanDerWaalsContact CE1-NE1 3.3Å; Y275-W917 AromaticContact CE2-NE1 3.6Å; Y275-W917 AromaticContact CG-CD1 3.98Å; Y275-W917 AromaticContact CG-NE1 3.62Å; Y275-W917 AromaticContact CZ-NE1 3.39Å; P329-W917 HydrophobicContact CB-CE3 4.31Å; P329-W917 HydrophobicContact CB-CH2 3.81Å; P329-W917 HydrophobicContact CB-CZ3 3.7Å; P329-W917 HydrophobicContact CG-CE3 4.37Å; P329-W917 HydrophobicContact CG-CH2 4.11Å; P329-W917 HydrophobicContact CG-CZ2 4.34Å; P329-W917 HydrophobicContact CG-CZ3 4.14Å; I617-W917 HydrophobicContact CB-CH2 4.24Å; I617-W917 HydrophobicContact CG2-CH2 3.62Å; I617-W917 HydrophobicContact CG2-CZ2 3.86Å; I617-W917 HydrophobicContact CG2-CZ3 4.36Å; L913-W917 PolarHBondContact O-N 3.01Å; E914-W917 HydrophobicContact CG-CZ2 4.4Å; E914-W917 PolarHBondContact O-N 3.38Å; M915-W917 VanDerWaalsContact C-N 3.33Å; M915-W917 PolarHBondContact O-N 3.04Å; W917-K919 VanDerWaalsContact C-N 3.29Å; W917-K919 PolarHBondContact O-N 3.46Å
918	G	87	Confident	90.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-29	174.8	0	0	0	0	0	114	E914 M915	E914-G918 PolarHBondContact O-N 3.34Å; M915-G918 PolarHBondContact O-N 2.91Å
919	K	88.6	Confident	89.9	Confident	143 Å²	143	50.3 Å²	50.3	62%	0.622	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	34.7	-170.7	-47.6	157.9	-170.9	158.6	0	112.5	E331 M915 W917	E331-K919 IonicContact OE1-NZ 3.24Å; E331-K919 PolarHBondContact OE1-NZ 3.37Å; E331-K919 IonicContact OE2-NZ 3.08Å; E331-K919 PolarHBondContact OE2-NZ 3.39Å; M915-K919 PolarHBondContact O-N 3.22Å; W917-K919 VanDerWaalsContact C-N 3.29Å; W917-K919 PolarHBondContact O-N 3.46Å
920	V	88.9	Confident	89.7	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.085	23%	0.233	C	C	.	.			trans	-99.1	142.8	-177.8	-173.3	0	0	0	0	110.1	V612 V613 D616 I617 M915 D924	V612-V920 HydrophobicContact CB-CG1 4.23Å; V612-V920 HydrophobicContact CG1-CB 4.46Å; V612-V920 HydrophobicContact CG1-CG1 3.97Å; V612-V920 HydrophobicContact CG1-CG2 3.89Å; V613-V920 HydrophobicContact CG2-CG1 4.45Å; D616-V920 HydrophobicContact CB-CG2 4.37Å; I617-V920 HydrophobicContact CD1-CB 4.31Å; I617-V920 HydrophobicContact CD1-CG2 3.64Å; I617-V920 HydrophobicContact CG1-CG2 3.99Å; M915-V920 PolarHBondContact O-N 3.38Å; V920-D924 HydrophobicContact CG1-CB 3.87Å
921	G	88.3	Confident	89.6	Confident	33 Å²	33	48.6 Å²	48.6	34%	0.34	24%	0.238	S	C	.	.			trans	-72.8	150.9	175.4	0	0	0	0	0	112.5	D923 D924 W925	G921-D923 VanDerWaalsContact C-N 3.29Å; G921-D923 PolarHBondContact O-N 2.99Å; G921-D924 PolarHBondContact O-N 3.19Å; G921-W925 PolarHBondContact O-N 2.83Å
922	I	89.3	Confident	89.6	Confident	112 Å²	112	52.8 Å²	52.8	57%	0.574	25%	0.252	S	S	*	.	H	α-helix	trans	-64.8	-34.6	179.4	-168.4	165.6	0	0	0	112.4	M915 W925 W926	M915-I922 HydrophobicContact CE-CB 4.49Å; M915-I922 HydrophobicContact CE-CD1 4.29Å; M915-I922 HydrophobicContact CE-CG1 4.12Å; M915-I922 HydrophobicContact SD-CB 4.02Å; M915-I922 HydrophobicContact SD-CG1 4.06Å; I922-W925 PolarHBondContact O-N 3.38Å; I922-W926 WeakPolarHBondContact O-CB 3.42Å; I922-W926 PolarHBondContact O-N 3.27Å
923	D	87.3	Confident	89.7	Confident	102 Å²	102	48.9 Å²	48.9	55%	0.545	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-47.5	172.3	-64.5	-73.4	0	0	0	112.1	G921 W925 W926 R927	G921-D923 VanDerWaalsContact C-N 3.29Å; G921-D923 PolarHBondContact O-N 2.99Å; D923-W925 VanDerWaalsContact C-N 3.32Å; D923-W925 PolarHBondContact O-N 2.89Å; D923-W926 PolarHBondContact O-N 2.96Å; D923-R927 VanDerWaalsContact O-CB 3.29Å; D923-R927 WeakPolarHBondContact O-CB 3.39Å; D923-R927 WeakPolarHBondContact O-CD 3.26Å; D923-R927 WeakPolarHBondContact O-CG 3.47Å; D923-R927 PolarHBondContact O-N 3.47Å
924	D	86.1	Confident	89.6	Confident	36 Å²	36	48.1 Å²	48.1	19%	0.193	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-41.1	179	-67.6	-43	0	0	0	111.1	R610 V612 V920 G921 N928	R610-D924 IonicContact NH1-OD1 3.49Å; V612-D924 HydrophobicContact CG2-CB 4.5Å; V920-D924 HydrophobicContact CG1-CB 3.87Å; G921-D924 PolarHBondContact O-N 3.19Å; D924-N928 WeakPolarHBondContact O-CB 3.48Å; D924-N928 PolarHBondContact O-N 3.32Å
925	W	89.2	Confident	89.5	Confident	50 Å²	50	47.6 Å²	47.6	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-48.4	176.8	-175.1	86.9	0	0	0	111.6	M915 G921 I922 D923 R927 N928 E929	M915-W925 HydrophobicContact CG-CB 4.07Å; M915-W925 HydrophobicContact CG-CG 3.94Å; M915-W925 HydrophobicContact SD-CB 3.63Å; M915-W925 HydrophobicContact SD-CD2 4.14Å; M915-W925 HydrophobicContact SD-CE3 4.46Å; M915-W925 HydrophobicContact SD-CG 3.77Å; G921-W925 PolarHBondContact O-N 2.83Å; I922-W925 PolarHBondContact O-N 3.38Å; D923-W925 VanDerWaalsContact C-N 3.32Å; D923-W925 PolarHBondContact O-N 2.89Å; W925-R927 PolarHBondContact O-N 2.87Å; W925-N928 WeakPolarHBondContact O-CB 3.3Å; W925-N928 PolarHBondContact O-N 3.4Å; W925-E929 HydrophobicContact CH2-CG 4.38Å; W925-E929 HydrophobicContact CZ2-CG 4.36Å; W925-E929 PolarHBondContact O-N 2.76Å
926	W	89.6	Confident	89.6	Confident	96 Å²	96	46.6 Å²	46.6	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-41	178.4	-172.9	-103.5	0	0	0	112.4	I922 D923 N928 E929 Q930 I1027 H1028	I922-W926 WeakPolarHBondContact O-CB 3.42Å; I922-W926 PolarHBondContact O-N 3.27Å; D923-W926 PolarHBondContact O-N 2.96Å; W926-N928 VanDerWaalsContact C-N 3.29Å; W926-N928 PolarHBondContact O-N 3.1Å; W926-E929 PolarHBondContact O-N 2.82Å; W926-Q930 VanDerWaalsContact CD1-CD 3.43Å; W926-Q930 VanDerWaalsContact NE1-CD 3.25Å; W926-Q930 WeakPolarHBondContact O-CG 3.26Å; W926-Q930 PolarHBondContact O-N 3.19Å; W926-I1027 HydrophobicContact CZ2-CG2 3.98Å; W926-H1028 AromaticContact CH2-CE1 3.51Å; W926-H1028 AromaticContact CH2-NE2 3.73Å; W926-H1028 AromaticContact CZ2-CE1 3.7Å; W926-H1028 AromaticContact CZ2-NE2 3.93Å
927	R	87.5	Confident	89.7	Confident	58 Å²	58	42 Å²	42	22%	0.219	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-35.2	175.5	-70.6	160.6	-167.8	-85.3	-1.2	112.3	H604 D923 W925 F931	H604-R927 PolarHBondContact O-NE 2.92Å; H604-R927 PolarHBondContact O-NH1 2.63Å; D923-R927 VanDerWaalsContact O-CB 3.29Å; D923-R927 WeakPolarHBondContact O-CB 3.39Å; D923-R927 WeakPolarHBondContact O-CD 3.26Å; D923-R927 WeakPolarHBondContact O-CG 3.47Å; D923-R927 PolarHBondContact O-N 3.47Å; W925-R927 PolarHBondContact O-N 2.87Å; R927-F931 VanDerWaalsContact O-CB 3.28Å; R927-F931 WeakPolarHBondContact O-CB 3.41Å; R927-F931 PolarHBondContact O-N 3.49Å
928	N	89.8	Confident	89.8	Confident	26 Å²	26	41.7 Å²	41.7	14%	0.139	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-47.6	172.9	-179.9	91.3	0	0	0	111.2	V613 D924 W925 W926 F931 W932	V613-N928 HydrophobicContact CB-CB 4.47Å; V613-N928 HydrophobicContact CG2-CB 3.8Å; D924-N928 WeakPolarHBondContact O-CB 3.48Å; D924-N928 PolarHBondContact O-N 3.32Å; W925-N928 WeakPolarHBondContact O-CB 3.3Å; W925-N928 PolarHBondContact O-N 3.4Å; W926-N928 VanDerWaalsContact C-N 3.29Å; W926-N928 PolarHBondContact O-N 3.1Å; N928-F931 PolarHBondContact O-N 2.81Å; N928-W932 WeakPolarHBondContact O-CB 3.46Å; N928-W932 PolarHBondContact O-N 3.36Å
929	E	89.4	Confident	90.1	Very high	58 Å²	58	41.7 Å²	41.7	27%	0.271	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-42.6	178.1	-59.8	-51.7	105.5	0	0	112.2	W925 W926 F931 W932 V933	W925-E929 HydrophobicContact CH2-CG 4.38Å; W925-E929 HydrophobicContact CZ2-CG 4.36Å; W925-E929 PolarHBondContact O-N 2.76Å; W926-E929 PolarHBondContact O-N 2.82Å; E929-F931 PolarHBondContact O-N 3.49Å; E929-W932 PolarHBondContact O-N 2.59Å; E929-V933 WeakPolarHBondContact O-CG2 3.41Å; E929-V933 PolarHBondContact O-N 3.02Å
930	Q	90.7	Very high	90.3	Very high	19 Å²	19	35.5 Å²	35.5	9%	0.089	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-46	173.8	-67.9	-177.8	-54.7	0	0	111.7	W926 V933 I934 I1027 P1031	W926-Q930 VanDerWaalsContact CD1-CD 3.43Å; W926-Q930 VanDerWaalsContact NE1-CD 3.25Å; W926-Q930 WeakPolarHBondContact O-CG 3.26Å; W926-Q930 PolarHBondContact O-N 3.19Å; Q930-V933 PolarHBondContact O-N 3.28Å; Q930-I934 WeakPolarHBondContact O-CD1 3.24Å; Q930-I934 VanDerWaalsContact O-CG1 3.3Å; Q930-I934 WeakPolarHBondContact O-CG1 3.48Å; Q930-I934 PolarHBondContact O-N 3.27Å; Q930-I1027 PolarHBondContact NE2-O 2.76Å; Q930-P1031 HydrophobicContact CB-CG 4.15Å; Q930-P1031 VanDerWaalsContact CD-CG 3.47Å; Q930-P1031 HydrophobicContact CG-CG 4.35Å
931	F	89.8	Confident	90.5	Very high	23 Å²	23	35.4 Å²	35.4	10%	0.101	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-35.1	177.9	-174	-99.9	0	0	0	112.5	Y607 L817 R820 V824 R927 N928 E929 I934 G935	Y607-F931 WeakPolarHBondContact O-CD2 3.46Å; L817-F931 HydrophobicContact CD1-CE2 4.43Å; R820-F931 HydrophobicContact CG-CE2 4.03Å; R820-F931 HydrophobicContact CG-CZ 3.8Å; V824-F931 HydrophobicContact CG2-CE1 3.85Å; V824-F931 HydrophobicContact CG2-CZ 3.84Å; R927-F931 VanDerWaalsContact O-CB 3.28Å; R927-F931 WeakPolarHBondContact O-CB 3.41Å; R927-F931 PolarHBondContact O-N 3.49Å; N928-F931 PolarHBondContact O-N 2.81Å; E929-F931 PolarHBondContact O-N 3.49Å; F931-I934 PolarHBondContact O-N 2.89Å; F931-G935 PolarHBondContact O-N 3.25Å
932	W	91.4	Very high	90.7	Very high	92 Å²	92	36.5 Å²	36.5	35%	0.348	17%	0.166	S	C	.	.	H	α-helix	trans	-62	-42.5	172.4	174.2	82.6	0	0	0	111.9	T867 L871 N928 E929 G936	T867-W932 HydrophobicContact CG2-CZ2 4.17Å; L871-W932 HydrophobicContact CD1-CH2 4.3Å; L871-W932 HydrophobicContact CD1-CZ3 4.27Å; N928-W932 WeakPolarHBondContact O-CB 3.46Å; N928-W932 PolarHBondContact O-N 3.36Å; E929-W932 PolarHBondContact O-N 2.59Å; W932-G936 WeakPolarHBondContact O-CA 3.41Å; W932-G936 PolarHBondContact O-N 2.8Å
933	V	93.1	Very high	90.8	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-47.7	173.8	174.4	0	0	0	0	111.1	E929 Q930 G936 V937 H1028	E929-V933 WeakPolarHBondContact O-CG2 3.41Å; E929-V933 PolarHBondContact O-N 3.02Å; Q930-V933 PolarHBondContact O-N 3.28Å; V933-G936 PolarHBondContact O-N 3.14Å; V933-V937 HydrophobicContact CG1-CG2 4.45Å; V933-V937 WeakPolarHBondContact O-CG2 3.25Å; V933-V937 PolarHBondContact O-N 3.37Å; V933-H1028 HydrophobicContact CB-CB 4.19Å; V933-H1028 HydrophobicContact CG1-CB 4.06Å; V933-H1028 HydrophobicContact CG2-CB 4.27Å
934	I	90.5	Very high	91	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.041	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-49.1	179.9	-67.5	160.6	0	0	0	110.9	L821 Q930 F931 V937 S938 L1029 P1031 F1032	L821-I934 HydrophobicContact CD2-CG2 4.48Å; Q930-I934 WeakPolarHBondContact O-CD1 3.24Å; Q930-I934 VanDerWaalsContact O-CG1 3.3Å; Q930-I934 WeakPolarHBondContact O-CG1 3.48Å; Q930-I934 PolarHBondContact O-N 3.27Å; F931-I934 PolarHBondContact O-N 2.89Å; I934-V937 PolarHBondContact O-N 3.33Å; I934-S938 WeakPolarHBondContact O-CB 3.32Å; I934-S938 PolarHBondContact O-N 3.4Å; I934-S938 VanDerWaalsContact O-N 3.1Å; I934-S938 PolarHBondContact O-OG 3.34Å; I934-L1029 HydrophobicContact CG1-CD2 4.01Å; I934-P1031 HydrophobicContact CD1-CB 4.48Å; I934-F1032 HydrophobicContact CD1-CB 3.89Å; I934-F1032 HydrophobicContact CG1-CB 4.24Å
935	G	90.6	Very high	91.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-66.3	-35.5	177.6	0	0	0	0	0	113.2	F931 S938 A939 H940	F931-G935 PolarHBondContact O-N 3.25Å; G935-S938 CarbonylContact O-C 3.54Å; G935-S938 PolarHBondContact O-N 3.26Å; G935-A939 PolarHBondContact O-N 3.37Å; G935-H940 PolarHBondContact O-N 2.81Å
936	G	93.1	Very high	91.1	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	13%	0.133	C	C	.	.	I	π-helix	trans	-63.3	-44.7	174.6	0	0	0	0	0	113.4	S868 W932 V933	S868-G936 WeakPolarHBondContact CB-O 3.35Å; W932-G936 WeakPolarHBondContact O-CA 3.41Å; W932-G936 PolarHBondContact O-N 2.8Å; V933-G936 PolarHBondContact O-N 3.14Å
937	V	93.3	Very high	90.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-70.7	-30.8	177.2	168.9	0	0	0	0	112.4	L871 V933 I934 P985 P986 L989	L871-V937 HydrophobicContact CD2-CG2 4.17Å; L871-V937 HydrophobicContact CG-CG2 4.29Å; V933-V937 HydrophobicContact CG1-CG2 4.45Å; V933-V937 WeakPolarHBondContact O-CG2 3.25Å; V933-V937 PolarHBondContact O-N 3.37Å; I934-V937 PolarHBondContact O-N 3.33Å; V937-P985 HydrophobicContact CG1-CB 4Å; V937-P986 HydrophobicContact CG1-CB 4.42Å; V937-P986 HydrophobicContact CG1-CG 3.89Å; V937-L989 HydrophobicContact CB-CD1 4.28Å; V937-L989 HydrophobicContact CG1-CD1 3.54Å; V937-L989 HydrophobicContact CG1-CG 4.2Å; V937-L989 HydrophobicContact CG2-CD1 3.64Å
938	S	92.3	Very high	90.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-105.9	-88.4	-175.7	57.3	0	0	0	0	113.3	I934 G935 H940 L941 F942 L982	I934-S938 WeakPolarHBondContact O-CB 3.32Å; I934-S938 PolarHBondContact O-N 3.4Å; I934-S938 VanDerWaalsContact O-N 3.1Å; I934-S938 PolarHBondContact O-OG 3.34Å; G935-S938 CarbonylContact O-C 3.54Å; G935-S938 PolarHBondContact O-N 3.26Å; S938-H940 VanDerWaalsContact C-N 3.35Å; S938-H940 PolarHBondContact O-N 3.1Å; S938-L941 PolarHBondContact O-N 3.3Å; S938-L941 VanDerWaalsContact O-N 3.17Å; S938-F942 WeakPolarHBondContact O-CD2 3.31Å; S938-F942 PolarHBondContact O-N 2.91Å; S938-L982 WeakPolarHBondContact CB-O 3.23Å
939	A	92.2	Very high	90.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-56.4	-42.1	-170	0	0	0	0	0	113.4	L821 V824 L825 G935 A943	L821-A939 HydrophobicContact CD2-CB 4.39Å; V824-A939 HydrophobicContact CB-CB 4.15Å; V824-A939 HydrophobicContact CG1-CB 3.83Å; L825-A939 HydrophobicContact CB-CB 4Å; G935-A939 PolarHBondContact O-N 3.37Å; A939-A943 WeakPolarHBondContact O-CB 3.44Å; A939-A943 PolarHBondContact O-N 2.94Å
940	H	94.3	Very high	90.1	Very high	13 Å²	13	28.9 Å²	28.9	6%	0.06	13%	0.134	C	C	.	.	I	π-helix	trans	-69.8	-38.8	-179.8	-60.7	175.9	0	0	0	112	V824 Y864 P865 G935 S938 L944	V824-H940 WeakPolarHBondContact CG1-NE2 3.43Å; Y864-H940 AromaticContact CD2-CE1 3.8Å; Y864-H940 AromaticContact CE2-CE1 3.64Å; Y864-H940 AromaticContact CE2-NE2 3.61Å; P865-H940 HydrophobicContact CB-CB 4.43Å; G935-H940 PolarHBondContact O-N 2.81Å; S938-H940 VanDerWaalsContact C-N 3.35Å; S938-H940 PolarHBondContact O-N 3.1Å; H940-L944 WeakPolarHBondContact O-CB 3.35Å; H940-L944 PolarHBondContact O-N 3.36Å
941	L	93	Very high	89.3	Confident	12 Å²	12	31.7 Å²	31.7	6%	0.063	15%	0.152	C	C	.	.	H	α-helix	trans	-67.2	-47.6	178.9	-176.8	64.1	0	0	0	111.4	L869 I872 S938 L944 F945	L869-L941 HydrophobicContact CD2-CD1 3.76Å; I872-L941 HydrophobicContact CD1-CD2 3.51Å; I872-L941 HydrophobicContact CG2-CD1 4.47Å; I872-L941 HydrophobicContact CG2-CD2 4.38Å; S938-L941 PolarHBondContact O-N 3.3Å; S938-L941 VanDerWaalsContact O-N 3.17Å; L941-L944 PolarHBondContact O-N 3.4Å; L941-F945 HydrophobicContact CD1-CD2 4.29Å; L941-F945 HydrophobicContact CD1-CE2 3.54Å; L941-F945 HydrophobicContact CD1-CZ 3.93Å; L941-F945 HydrophobicContact CD2-CE2 4.4Å; L941-F945 HydrophobicContact CG-CD2 4.21Å; L941-F945 HydrophobicContact CG-CE2 3.7Å; L941-F945 VanDerWaalsContact O-CD2 3.23Å; L941-F945 WeakPolarHBondContact O-CD2 3.22Å; L941-F945 PolarHBondContact O-N 3.14Å; L941-F945 VanDerWaalsContact O-N 3.16Å
942	F	91.6	Very high	88.8	Confident	57 Å²	57	37.5 Å²	37.5	25%	0.25	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-43	174.2	-87	-80.4	0	0	0	112.1	L825 S938 L944 F945 Q946 S981 L982 P985	L825-F942 HydrophobicContact CD1-CB 3.74Å; S938-F942 WeakPolarHBondContact O-CD2 3.31Å; S938-F942 PolarHBondContact O-N 2.91Å; F942-L944 VanDerWaalsContact C-N 3.32Å; F942-L944 PolarHBondContact O-N 2.89Å; F942-F945 PolarHBondContact O-N 3.05Å; F942-Q946 WeakPolarHBondContact O-CB 3.44Å; F942-Q946 WeakPolarHBondContact O-CG 3.47Å; F942-Q946 PolarHBondContact O-N 2.86Å; F942-S981 WeakPolarHBondContact CE2-O 3.47Å; F942-S981 VanDerWaalsContact CZ-O 3.31Å; F942-S981 WeakPolarHBondContact CZ-O 3.24Å; F942-L982 HydrophobicContact CB-CD2 3.87Å; F942-L982 HydrophobicContact CD1-CD2 4.25Å; F942-L982 HydrophobicContact CD2-CD2 3.61Å; F942-L982 HydrophobicContact CE2-CD2 4.16Å; F942-L982 HydrophobicContact CG-CD2 3.65Å; F942-P985 HydrophobicContact CE2-CG 3.76Å; F942-P985 HydrophobicContact CZ-CG 4.49Å
943	A	91.7	Very high	87.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-36.3	176.7	0	0	0	0	0	113	L825 A828 L829 A939 G947	L825-A943 HydrophobicContact CG-CB 4.29Å; A828-A943 HydrophobicContact CB-CB 3.51Å; L829-A943 HydrophobicContact CB-CB 4.23Å; A939-A943 WeakPolarHBondContact O-CB 3.44Å; A939-A943 PolarHBondContact O-N 2.94Å; A943-G947 PolarHBondContact O-N 3.47Å
944	L	91.9	Very high	86.8	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-46.8	176.4	-176.1	63.7	0	0	0	111.5	V832 W866 L869 H940 L941 F942 G947 L948	V832-L944 HydrophobicContact CG1-CD1 4.25Å; V832-L944 HydrophobicContact CG2-CD1 3.9Å; W866-L944 HydrophobicContact CD2-CD1 3.67Å; W866-L944 HydrophobicContact CE3-CD1 4.01Å; W866-L944 HydrophobicContact CE3-CD2 4.38Å; W866-L944 HydrophobicContact CG-CD1 4.13Å; W866-L944 HydrophobicContact CH2-CD1 4.18Å; W866-L944 HydrophobicContact CZ2-CD1 3.83Å; W866-L944 HydrophobicContact CZ3-CD1 4.25Å; L869-L944 HydrophobicContact CD1-CD2 3.62Å; L869-L944 HydrophobicContact CD2-CD2 4.08Å; L869-L944 HydrophobicContact CG-CD2 3.6Å; H940-L944 WeakPolarHBondContact O-CB 3.35Å; H940-L944 PolarHBondContact O-N 3.36Å; L941-L944 PolarHBondContact O-N 3.4Å; F942-L944 VanDerWaalsContact C-N 3.32Å; F942-L944 PolarHBondContact O-N 2.89Å; L944-G947 PolarHBondContact O-N 2.9Å; L944-L948 HydrophobicContact CD1-CD1 4.21Å; L944-L948 HydrophobicContact CD1-CG 4.45Å; L944-L948 HydrophobicContact CG-CD1 4.08Å; L944-L948 WeakPolarHBondContact O-CB 3.46Å; L944-L948 VanDerWaalsContact O-CG 3.25Å; L944-L948 WeakPolarHBondContact O-CG 3.28Å; L944-L948 PolarHBondContact O-N 3.05Å
945	F	89.5	Confident	85.3	Confident	105 Å²	105	43 Å²	43	46%	0.461	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-42	175.1	-66.6	-51.2	0	0	0	112.3	L941 F942 L949	L941-F945 HydrophobicContact CD1-CD2 4.29Å; L941-F945 HydrophobicContact CD1-CE2 3.54Å; L941-F945 HydrophobicContact CD1-CZ 3.93Å; L941-F945 HydrophobicContact CD2-CE2 4.4Å; L941-F945 HydrophobicContact CG-CD2 4.21Å; L941-F945 HydrophobicContact CG-CE2 3.7Å; L941-F945 VanDerWaalsContact O-CD2 3.23Å; L941-F945 WeakPolarHBondContact O-CD2 3.22Å; L941-F945 PolarHBondContact O-N 3.14Å; L941-F945 VanDerWaalsContact O-N 3.16Å; F942-F945 PolarHBondContact O-N 3.05Å; F945-L949 WeakPolarHBondContact O-CB 3.46Å; F945-L949 VanDerWaalsContact O-CG 3.26Å; F945-L949 WeakPolarHBondContact O-CG 3.48Å; F945-L949 PolarHBondContact O-N 3.19Å
946	Q	87.1	Confident	83.7	Confident	71 Å²	71	49.1 Å²	49.1	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-44.2	176.5	-75.2	177.8	-17.3	0	0	112.5	L829 F942 L949 K950	L829-Q946 HydrophobicContact CD1-CB 4.01Å; F942-Q946 WeakPolarHBondContact O-CB 3.44Å; F942-Q946 WeakPolarHBondContact O-CG 3.47Å; F942-Q946 PolarHBondContact O-N 2.86Å; Q946-L949 PolarHBondContact O-N 2.99Å; Q946-K950 WeakPolarHBondContact O-CB 3.27Å; Q946-K950 PolarHBondContact O-N 3.35Å
947	G	83.9	Confident	81.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-40.1	178.2	0	0	0	0	0	112.8	A943 L944 K950 V951	A943-G947 PolarHBondContact O-N 3.47Å; L944-G947 PolarHBondContact O-N 2.9Å; G947-K950 PolarHBondContact O-N 3.43Å; G947-V951 WeakPolarHBondContact O-CG2 3.47Å; G947-V951 PolarHBondContact O-N 3.08Å
948	L	85.9	Confident	79.7	Confident	47 Å²	47	58.4 Å²	58.4	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-46.3	173	-73.1	169.1	0	0	0	111.7	L836 W866 L944 K950 V951 L952	L836-L948 HydrophobicContact CD1-CD2 4.27Å; W866-L948 HydrophobicContact CH2-CD2 4.11Å; L944-L948 HydrophobicContact CD1-CD1 4.21Å; L944-L948 HydrophobicContact CD1-CG 4.45Å; L944-L948 HydrophobicContact CG-CD1 4.08Å; L944-L948 WeakPolarHBondContact O-CB 3.46Å; L944-L948 VanDerWaalsContact O-CG 3.25Å; L944-L948 WeakPolarHBondContact O-CG 3.28Å; L944-L948 PolarHBondContact O-N 3.05Å; L948-K950 PolarHBondContact O-N 3.19Å; L948-V951 PolarHBondContact O-N 3.33Å; L948-L952 VanDerWaalsContact O-CB 3.24Å; L948-L952 WeakPolarHBondContact O-CB 3.31Å; L948-L952 VanDerWaalsContact O-CG 3.23Å; L948-L952 WeakPolarHBondContact O-CG 3.21Å; L948-L952 PolarHBondContact O-N 2.94Å
949	L	85	Confident	77.4	Confident	111 Å²	111	62.3 Å²	62.3	58%	0.581	35%	0.346	S	S	*	.	H	α-helix	trans	-62.1	-42.5	176.4	-74.6	168.9	0	0	0	112	F945 Q946 A953	F945-L949 WeakPolarHBondContact O-CB 3.46Å; F945-L949 VanDerWaalsContact O-CG 3.26Å; F945-L949 WeakPolarHBondContact O-CG 3.48Å; F945-L949 PolarHBondContact O-N 3.19Å; Q946-L949 PolarHBondContact O-N 2.99Å; L949-A953 WeakPolarHBondContact O-CA 3.32Å; L949-A953 WeakPolarHBondContact O-CB 3.37Å; L949-A953 PolarHBondContact O-N 3.06Å
950	K	81.2	Confident	75	Confident	43 Å²	43	66.3 Å²	66.3	19%	0.187	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-44.6	177.7	-178.5	170.3	-176.2	-176.9	0	112.3	E833 Q946 G947 L948 G954 V955 D956 T957	E833-K950 WeakPolarHBondContact OE1-CD 3.47Å; E833-K950 WeakPolarHBondContact OE1-CE 3.27Å; E833-K950 IonicContact OE1-NZ 2.57Å; E833-K950 PolarHBondContact OE1-NZ 2.71Å; Q946-K950 WeakPolarHBondContact O-CB 3.27Å; Q946-K950 PolarHBondContact O-N 3.35Å; G947-K950 PolarHBondContact O-N 3.43Å; L948-K950 PolarHBondContact O-N 3.19Å; K950-G954 WeakPolarHBondContact O-CA 3.45Å; K950-G954 PolarHBondContact O-N 3.4Å; K950-V955 WeakPolarHBondContact CG-O 3.07Å; K950-D956 IonicContact NZ-OD1 3.18Å; K950-T957 HydrophobicContact CD-CG2 4.1Å; K950-T957 PolarHBondContact NZ-OG1 3.43Å
951	V	74.3	Confident	72.5	Confident	78 Å²	78	67.2 Å²	67.2	47%	0.473	38%	0.377	S	S	.	.	H	α-helix	trans	-76.5	-33.6	-179.3	173.7	0	0	0	0	112.8	L836 G947 L948	L836-V951 HydrophobicContact CB-CG1 4.17Å; L836-V951 HydrophobicContact CB-CG2 4.01Å; L836-V951 HydrophobicContact CD1-CB 3.86Å; L836-V951 HydrophobicContact CD1-CG1 4.14Å; L836-V951 HydrophobicContact CD1-CG2 3.68Å; L836-V951 HydrophobicContact CG-CG2 4.49Å; G947-V951 WeakPolarHBondContact O-CG2 3.47Å; G947-V951 PolarHBondContact O-N 3.08Å; L948-V951 PolarHBondContact O-N 3.33Å
952	L	78.6	Confident	70.1	Confident	144 Å²	144	67.1 Å²	67.1	75%	0.754	38%	0.377	S	S	*	.	H	α-helix	trans	-85.6	-29.3	-178.2	-65.7	172.4	0	0	0	113.9	L948	L948-L952 VanDerWaalsContact O-CB 3.24Å; L948-L952 WeakPolarHBondContact O-CB 3.31Å; L948-L952 VanDerWaalsContact O-CG 3.23Å; L948-L952 WeakPolarHBondContact O-CG 3.21Å; L948-L952 PolarHBondContact O-N 2.94Å
953	A	73.4	Confident	67.7	Low	67 Å²	67	66.9 Å²	66.9	55%	0.554	38%	0.382	S	S	*	.	H	α-helix	trans	-121.2	-0.5	-175.7	0	0	0	0	0	114.4	L949 V955	L949-A953 WeakPolarHBondContact O-CA 3.32Å; L949-A953 WeakPolarHBondContact O-CB 3.37Å; L949-A953 PolarHBondContact O-N 3.06Å; A953-V955 HydrophobicContact CB-CG2 4.1Å; A953-V955 PolarHBondContact O-N 3.39Å
954	G	68.9	Low	65.7	Low	59 Å²	59	68.9 Å²	68.9	61%	0.608	39%	0.391	S	S	*	.			trans	69.7	14.5	177.2	0	0	0	0	0	115.1	K950 D956	K950-G954 WeakPolarHBondContact O-CA 3.45Å; K950-G954 PolarHBondContact O-N 3.4Å; G954-D956 PolarHBondContact O-N 2.71Å
955	V	60.4	Low	63.2	Low	91 Å²	91	71.2 Å²	71.2	55%	0.552	41%	0.41	S	S	*	.			trans	-77.7	112.2	-175.1	-179.2	0	0	0	0	110.7	K950 A953 T957	K950-V955 WeakPolarHBondContact CG-O 3.07Å; A953-V955 HydrophobicContact CB-CG2 4.1Å; A953-V955 PolarHBondContact O-N 3.39Å; V955-T957 PolarHBondContact O-N 2.97Å
956	D	56.9	Low	60.8	Low	130 Å²	130	69 Å²	69	70%	0.695	41%	0.411	S	S	*	.			trans	-68.6	123.1	178.3	-95.4	-45.6	0	0	0	113.1	K950 G954 N958	K950-D956 IonicContact NZ-OD1 3.18Å; G954-D956 PolarHBondContact O-N 2.71Å; D956-N958 PolarHBondContact O-N 3.19Å
957	T	53	Low	58.4	Low	32 Å²	32	71.6 Å²	71.6	20%	0.196	43%	0.427	C	S	.	.			trans	-80.4	106.6	177.5	52.3	0	0	0	0	110.3	L829 K950 V955 F959	L829-T957 HydrophobicContact CD2-CG2 4.36Å; K950-T957 HydrophobicContact CD-CG2 4.1Å; K950-T957 PolarHBondContact NZ-OG1 3.43Å; V955-T957 PolarHBondContact O-N 2.97Å; T957-F959 PolarHBondContact O-N 3.38Å
958	N	48.1	Very low	56.6	Low	165 Å²	165	78.6 Å²	78.6	88%	0.882	47%	0.465	S	S	*	.			trans	-53.8	126.8	172.8	-82.7	-27.2	0	0	0	111.2	D956	D956-N958 PolarHBondContact O-N 3.19Å
959	F	44.4	Very low	54.5	Low	82 Å²	82	78.2 Å²	78.2	36%	0.36	47%	0.472	S	S	.	.			trans	-94	115.6	-173.1	171.8	-92.4	0	0	0	110.5	K537 V782 T957 V961	K537-F959 HydrophobicContact CD-CD1 4.39Å; K537-F959 HydrophobicContact CD-CG 4.41Å; V782-F959 HydrophobicContact CG1-CD2 4.27Å; V782-F959 HydrophobicContact CG1-CE2 4.14Å; T957-F959 PolarHBondContact O-N 3.38Å; F959-V961 HydrophobicContact CD1-CG2 4.29Å; F959-V961 HydrophobicContact CE1-CG2 3.69Å
960	T	42.4	Very low	52.6	Low	84 Å²	84	80.2 Å²	80.2	52%	0.515	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-93.9	124.9	174	48.6	0	0	0	0	111.3
961	V	40.6	Very low	51.1	Low	32 Å²	32	83.4 Å²	83.4	19%	0.194	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-76.5	123.7	165.4	176.1	0	0	0	0	107.8	V362 K366 F959	V362-V961 HydrophobicContact CG1-CG2 4.27Å; K366-V961 HydrophobicContact CB-CG1 4.33Å; K366-V961 HydrophobicContact CD-CB 3.82Å; K366-V961 HydrophobicContact CD-CG1 4.09Å; F959-V961 HydrophobicContact CD1-CG2 4.29Å; F959-V961 HydrophobicContact CE1-CG2 3.69Å
962	T	44.4	Very low	49.6	Very low	11 Å²	11	82.5 Å²	82.5	7%	0.067	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-78.1	120.5	174.8	48.3	0	0	0	0	109.7	D819 H822 R826 K964	D819-T962 HydrophobicContact CB-CG2 4.17Å; H822-T962 HydrophobicContact CB-CG2 3.82Å; R826-T962 PolarHBondContact NH2-OG1 3.27Å; T962-K964 PolarHBondContact O-N 3.16Å
963	S	40	Very low	48.3	Very low	51 Å²	51	77.4 Å²	77.4	36%	0.357	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-53.5	130.9	173.2	48	0	0	0	0	111.5
964	K	48.9	Very low	47.1	Very low	43 Å²	43	75.6 Å²	75.6	19%	0.187	44%	0.444	C	S	.	.			trans	-112.5	3.5	175.2	-67	-176.9	-175.5	173.3	0	113.8	D564 T962	D564-K964 HydrophobicContact CB-CD 3.96Å; D564-K964 IonicContact OD1-NZ 3.76Å; D564-K964 PolarHBondContact OD1-NZ 3.15Å; D564-K964 VanDerWaalsContact OD1-NZ 3.07Å; D564-K964 WeakPolarHBondContact OD2-CD 3.49Å; D564-K964 WeakPolarHBondContact OD2-CE 3.33Å; D564-K964 IonicContact OD2-NZ 2.79Å; D564-K964 PolarHBondContact OD2-NZ 3.31Å; T962-K964 PolarHBondContact O-N 3.16Å
965	A	40.7	Very low	46	Very low	50 Å²	50	76.5 Å²	76.5	41%	0.413	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-62.5	137.6	168.4	0	0	0	0	0	110	P368	P368-A965 HydrophobicContact CG-CB 3.97Å
966	A	39.2	Very low	45.5	Very low	59 Å²	59	76.1 Å²	76.1	49%	0.488	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-98.4	140.4	153.4	0	0	0	0	0	106.4	I815	I815-A966 HydrophobicContact CD1-CB 3.58Å
967	D	36.5	Very low	45.3	Very low	125 Å²	125	72.8 Å²	72.8	67%	0.668	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-76.2	158.5	160	-149.6	-24.2	0	0	0	109.1	G969	D967-G969 PolarHBondContact O-N 2.91Å
968	D	46.6	Very low	45.7	Very low	146 Å²	146	75.6 Å²	75.6	78%	0.781	41%	0.413	S	S	*	.	S	Bend	trans	-72.1	10	-168.2	-85.5	-29.3	0	0	0	114.4	E970	D968-E970 PolarHBondContact O-N 3.06Å
969	G	41.6	Very low	46.6	Very low	39 Å²	39	75.2 Å²	75.2	40%	0.402	40%	0.399	S	S	.	.	S	Bend	trans	-79.1	111	174.3	0	0	0	0	0	113.2	D967 F971 S972	D967-G969 PolarHBondContact O-N 2.91Å; G969-F971 PolarHBondContact O-N 2.96Å; G969-S972 PolarHBondContact O-N 3Å; G969-S972 PolarHBondContact O-OG 3.27Å
970	E	45.6	Very low	48	Very low	153 Å²	153	72.6 Å²	72.6	72%	0.715	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	101	177.1	-82	-167.2	153.1	0	0	111.8	K437 D968 S972	K437-E970 IonicContact NZ-OE1 3.36Å; K437-E970 PolarHBondContact NZ-OE1 2.99Å; D968-E970 PolarHBondContact O-N 3.06Å; E970-S972 PolarHBondContact O-N 3.01Å
971	F	48.9	Very low	50	Low	111 Å²	111	72 Å²	72	49%	0.487	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	9.9	175.2	-52	-87.8	0	0	0	118.4	G969 D973 L974	G969-F971 PolarHBondContact O-N 2.96Å; F971-D973 VanDerWaalsContact C-N 3.28Å; F971-D973 PolarHBondContact O-N 3.45Å; F971-L974 HydrophobicContact CB-CD1 3.92Å; F971-L974 HydrophobicContact CD1-CD1 3.73Å; F971-L974 HydrophobicContact CD1-CD2 4.29Å; F971-L974 HydrophobicContact CG-CD1 4.29Å
972	S	42.2	Very low	52.1	Low	59 Å²	59	71 Å²	71	41%	0.413	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-57.8	-41.2	176.2	52.8	0	0	0	0	112.8	G969 E970 L974 Y975	G969-S972 PolarHBondContact O-N 3Å; G969-S972 PolarHBondContact O-OG 3.27Å; E970-S972 PolarHBondContact O-N 3.01Å; S972-L974 VanDerWaalsContact C-N 3.34Å; S972-L974 PolarHBondContact O-N 3.19Å; S972-Y975 WeakPolarHBondContact O-CB 3.29Å; S972-Y975 PolarHBondContact O-N 3.25Å; S972-Y975 VanDerWaalsContact O-N 3.14Å
973	D	51.3	Low	54	Low	36 Å²	36	70.6 Å²	70.6	19%	0.193	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-81.4	-12.8	-166	-67.3	8	0	0	0	113.7	I815 F971 Y975 L976	I815-D973 HydrophobicContact CG2-CB 4.42Å; F971-D973 VanDerWaalsContact C-N 3.28Å; F971-D973 PolarHBondContact O-N 3.45Å; D973-Y975 PolarHBondContact O-N 3.46Å; D973-L976 HydrophobicContact CB-CD1 4.28Å; D973-L976 PolarHBondContact O-N 3.37Å
974	L	47.7	Very low	56.3	Low	29 Å²	29	72 Å²	72	15%	0.152	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-62.4	-24.8	167.9	-75.5	83.2	0	0	0	111.5	D602 I815 F971 S972	D602-L974 HydrophobicContact CB-CD2 4.02Å; I815-L974 HydrophobicContact CG2-CB 4.34Å; I815-L974 HydrophobicContact CG2-CD1 3.35Å; I815-L974 HydrophobicContact CG2-CG 3.55Å; F971-L974 HydrophobicContact CB-CD1 3.92Å; F971-L974 HydrophobicContact CD1-CD1 3.73Å; F971-L974 HydrophobicContact CD1-CD2 4.29Å; F971-L974 HydrophobicContact CG-CD1 4.29Å; S972-L974 VanDerWaalsContact C-N 3.34Å; S972-L974 PolarHBondContact O-N 3.19Å
975	Y	45.9	Very low	58.3	Low	78 Å²	78	70.9 Å²	70.9	31%	0.306	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-101.1	2.7	-176.7	-60.7	-56.3	0	0	0	113.1	S972 D973 F977 G1038 D1041	S972-Y975 WeakPolarHBondContact O-CB 3.29Å; S972-Y975 PolarHBondContact O-N 3.25Å; S972-Y975 VanDerWaalsContact O-N 3.14Å; D973-Y975 PolarHBondContact O-N 3.46Å; Y975-F977 VanDerWaalsContact C-N 3.26Å; Y975-F977 PolarHBondContact O-N 3.39Å; Y975-G1038 WeakPolarHBondContact CA-O 3.33Å; Y975-G1038 WeakPolarHBondContact CB-O 3.44Å; Y975-G1038 VanDerWaalsContact CD1-O 3.24Å; Y975-G1038 WeakPolarHBondContact CD1-O 3.26Å; Y975-D1041 PolarHBondContact OH-OD2 3.45Å
976	L	49.9	Very low	60.7	Low	83 Å²	83	68.5 Å²	68.5	44%	0.435	36%	0.361	S	S	.	.			trans	-79.4	75.2	168	-72.7	178.8	0	0	0	111	D973 K978	D973-L976 HydrophobicContact CB-CD1 4.28Å; D973-L976 PolarHBondContact O-N 3.37Å; L976-K978 PolarHBondContact O-N 3.48Å
977	F	54.3	Low	63	Low	60 Å²	60	67.4 Å²	67.4	26%	0.263	35%	0.346	S	S	.	.			trans	-64.8	101.5	169.3	-172.7	-81.3	0	0	0	110.4	Y975 W979 L983 L1036	Y975-F977 VanDerWaalsContact C-N 3.26Å; Y975-F977 PolarHBondContact O-N 3.39Å; F977-W979 HydrophobicContact CE1-CB 4.24Å; F977-W979 AromaticContact CE1-CE3 3.82Å; F977-W979 HydrophobicContact CE1-CE3 3.82Å; F977-W979 HydrophobicContact CZ-CE3 4.32Å; F977-L983 HydrophobicContact CE1-CD1 3.87Å; F977-L983 HydrophobicContact CE2-CD1 3.77Å; F977-L983 HydrophobicContact CZ-CD1 3.23Å; F977-L1036 HydrophobicContact CE1-CD1 4.01Å; F977-L1036 HydrophobicContact CE2-CB 4.23Å; F977-L1036 HydrophobicContact CE2-CD1 3.77Å; F977-L1036 HydrophobicContact CZ-CD1 3.4Å
978	K	61.5	Low	65.7	Low	91 Å²	91	65.1 Å²	65.1	40%	0.396	34%	0.337	S	S	.	.			trans	-83.7	115	168.5	-54.5	172.2	-174.1	164.9	0	108.1	S818 D819 L976 T980	S818-K978 WeakPolarHBondContact OG-CB 3.37Å; D819-K978 IonicContact OD1-NZ 2.76Å; D819-K978 IonicContact OD2-NZ 3.79Å; D819-K978 PolarHBondContact OD2-NZ 3.34Å; L976-K978 PolarHBondContact O-N 3.48Å; K978-T980 PolarHBondContact O-N 2.96Å
979	W	66.5	Low	67.9	Low	158 Å²	158	58.5 Å²	58.5	60%	0.598	30%	0.301	S	S	*	.			trans	-64.9	127.1	176	-179.6	-84.8	0	0	0	110.2	F977 I984 L1036	F977-W979 HydrophobicContact CE1-CB 4.24Å; F977-W979 AromaticContact CE1-CE3 3.82Å; F977-W979 HydrophobicContact CE1-CE3 3.82Å; F977-W979 HydrophobicContact CZ-CE3 4.32Å; W979-I984 HydrophobicContact CZ2-CG1 4.19Å; W979-L1036 HydrophobicContact CZ3-CD1 4.46Å
980	T	73.7	Confident	70.2	Confident	26 Å²	26	57.2 Å²	57.2	16%	0.16	29%	0.285	C	S	.	.			trans	-137.8	151.5	177.6	61.5	0	0	0	0	110.5	K978 L982 L983	K978-T980 PolarHBondContact O-N 2.96Å; T980-L982 PolarHBondContact O-N 3.39Å; T980-L983 WeakPolarHBondContact O-CB 3.39Å; T980-L983 PolarHBondContact O-N 3.45Å
981	S	83.3	Confident	72.4	Confident	73 Å²	73	54.2 Å²	54.2	51%	0.51	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-59.4	-21.2	-179.4	-46.4	0	0	0	0	113.7	F942 L983 I984	F942-S981 WeakPolarHBondContact CE2-O 3.47Å; F942-S981 VanDerWaalsContact CZ-O 3.31Å; F942-S981 WeakPolarHBondContact CZ-O 3.24Å; S981-L983 PolarHBondContact O-N 3.14Å; S981-I984 WeakPolarHBondContact O-CB 3.21Å; S981-I984 WeakPolarHBondContact O-CG1 3.2Å; S981-I984 PolarHBondContact O-N 3.19Å
982	L	84.6	Confident	74.5	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.052	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.2	-25.3	174.3	-53.4	-175.1	0	0	0	112.7	L821 L825 S938 F942 T980 P986	L821-L982 HydrophobicContact CB-CD1 4.22Å; L825-L982 HydrophobicContact CD1-CD1 4.22Å; L825-L982 HydrophobicContact CD1-CD2 3.57Å; S938-L982 WeakPolarHBondContact CB-O 3.23Å; F942-L982 HydrophobicContact CB-CD2 3.87Å; F942-L982 HydrophobicContact CD1-CD2 4.25Å; F942-L982 HydrophobicContact CD2-CD2 3.61Å; F942-L982 HydrophobicContact CE2-CD2 4.16Å; F942-L982 HydrophobicContact CG-CD2 3.65Å; T980-L982 PolarHBondContact O-N 3.39Å; L982-P986 WeakPolarHBondContact O-CD 3.35Å
983	L	85.2	Confident	76.9	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-85.9	-9.7	-176.7	-51.3	-176.2	0	0	0	112.9	L821 F977 T980 S981 M987 F1032	L821-L983 HydrophobicContact CD1-CD2 3.38Å; F977-L983 HydrophobicContact CE1-CD1 3.87Å; F977-L983 HydrophobicContact CE2-CD1 3.77Å; F977-L983 HydrophobicContact CZ-CD1 3.23Å; T980-L983 WeakPolarHBondContact O-CB 3.39Å; T980-L983 PolarHBondContact O-N 3.45Å; S981-L983 PolarHBondContact O-N 3.14Å; L983-M987 WeakPolarHBondContact O-CB 3.35Å; L983-M987 VanDerWaalsContact O-CG 3.27Å; L983-M987 WeakPolarHBondContact O-CG 3.45Å; L983-M987 PolarHBondContact O-N 3.26Å; L983-M987 VanDerWaalsContact O-N 3.15Å; L983-F1032 HydrophobicContact CB-CE2 4.27Å; L983-F1032 HydrophobicContact CB-CZ 4.13Å; L983-F1032 HydrophobicContact CD1-CE2 4.43Å; L983-F1032 HydrophobicContact CD2-CE2 3.9Å; L983-F1032 HydrophobicContact CG-CE2 4.42Å
984	I	89.1	Confident	78.6	Confident	79 Å²	79	49.3 Å²	49.3	41%	0.405	25%	0.248	S	C	.	.	H	α-helix	trans	-64.1	-52.3	-178.8	-60.2	169.9	0	0	0	111.4	W979 S981 M987 T988	W979-I984 HydrophobicContact CZ2-CG1 4.19Å; S981-I984 WeakPolarHBondContact O-CB 3.21Å; S981-I984 WeakPolarHBondContact O-CG1 3.2Å; S981-I984 PolarHBondContact O-N 3.19Å; I984-M987 WeakPolarHBondContact O-CB 3.41Å; I984-M987 PolarHBondContact O-N 3.25Å; I984-M987 VanDerWaalsContact O-N 3.16Å; I984-T988 PolarHBondContact O-N 3.1Å; I984-T988 PolarHBondContact O-OG1 3.2Å; I984-T988 VanDerWaalsContact O-OG1 3.11Å
985	P	91.1	Very high	80.6	Confident	21 Å²	21	52 Å²	52	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-42.9	-178.1	-18.3	30.8	0	0	0	114.2	I872 V937 F942 M987 T988 L989	I872-P985 HydrophobicContact CD1-CB 4.32Å; V937-P985 HydrophobicContact CG1-CB 4Å; F942-P985 HydrophobicContact CE2-CG 3.76Å; F942-P985 HydrophobicContact CZ-CG 4.49Å; P985-M987 VanDerWaalsContact C-N 3.34Å; P985-M987 PolarHBondContact O-N 3.01Å; P985-T988 PolarHBondContact O-N 3.47Å; P985-L989 WeakPolarHBondContact O-CG 3.45Å; P985-L989 PolarHBondContact O-N 2.85Å
986	P	90.2	Very high	82.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-39.3	171.6	-26.8	35.9	0	0	0	113.8	V937 L982 L990 L1029 F1032	V937-P986 HydrophobicContact CG1-CB 4.42Å; V937-P986 HydrophobicContact CG1-CG 3.89Å; L982-P986 WeakPolarHBondContact O-CD 3.35Å; P986-L990 WeakPolarHBondContact O-CB 3.41Å; P986-L990 PolarHBondContact O-N 2.91Å; P986-L1029 HydrophobicContact CB-CD2 4.49Å; P986-F1032 HydrophobicContact CB-CD1 3.76Å; P986-F1032 HydrophobicContact CB-CE1 3.57Å; P986-F1032 HydrophobicContact CB-CG 4.48Å; P986-F1032 HydrophobicContact CB-CZ 4.16Å
987	M	88.1	Confident	84.5	Confident	35 Å²	35	45.7 Å²	45.7	17%	0.172	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-46.9	174.7	-75.7	-60	-67.2	0	0	111.8	L983 I984 P985 L989 L990 I991 F1032 L1036	L983-M987 WeakPolarHBondContact O-CB 3.35Å; L983-M987 VanDerWaalsContact O-CG 3.27Å; L983-M987 WeakPolarHBondContact O-CG 3.45Å; L983-M987 PolarHBondContact O-N 3.26Å; L983-M987 VanDerWaalsContact O-N 3.15Å; I984-M987 WeakPolarHBondContact O-CB 3.41Å; I984-M987 PolarHBondContact O-N 3.25Å; I984-M987 VanDerWaalsContact O-N 3.16Å; P985-M987 VanDerWaalsContact C-N 3.34Å; P985-M987 PolarHBondContact O-N 3.01Å; M987-L989 PolarHBondContact O-N 2.89Å; M987-L990 PolarHBondContact O-N 3.06Å; M987-I991 HydrophobicContact CE-CD1 4.24Å; M987-I991 WeakPolarHBondContact O-CB 3.39Å; M987-I991 VanDerWaalsContact O-CG1 3.26Å; M987-I991 WeakPolarHBondContact O-CG1 3.32Å; M987-I991 PolarHBondContact O-N 3.06Å; M987-F1032 HydrophobicContact CG-CE1 3.82Å; M987-F1032 HydrophobicContact CG-CZ 3.76Å; M987-F1032 HydrophobicContact SD-CE1 3.55Å; M987-F1032 VanDerWaalsContact SD-CE1 3.55Å; M987-F1032 HydrophobicContact SD-CZ 3.75Å; M987-L1036 HydrophobicContact CE-CD2 3.64Å; M987-L1036 HydrophobicContact SD-CD2 3.67Å
988	T	92.3	Very high	86.1	Confident	78 Å²	78	44.3 Å²	44.3	48%	0.479	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-43.7	178.4	-55.7	0	0	0	0	111.6	I984 P985 I991 I992	I984-T988 PolarHBondContact O-N 3.1Å; I984-T988 PolarHBondContact O-OG1 3.2Å; I984-T988 VanDerWaalsContact O-OG1 3.11Å; P985-T988 PolarHBondContact O-N 3.47Å; T988-I991 PolarHBondContact O-N 3.45Å; T988-I992 WeakPolarHBondContact O-CB 3.22Å; T988-I992 VanDerWaalsContact O-CG2 3.32Å; T988-I992 WeakPolarHBondContact O-CG2 3.36Å; T988-I992 PolarHBondContact O-N 2.93Å
989	L	93	Very high	87.2	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-64.7	-38.8	176.2	-73.2	-165.9	0	0	0	113	I872 C875 S876 V937 P985 M987 N993 L1029	I872-L989 HydrophobicContact CG1-CD1 4.28Å; I872-L989 HydrophobicContact CG1-CD2 4.27Å; C875-L989 HydrophobicContact CB-CD1 3.73Å; S876-L989 VanDerWaalsContact OG-CD2 3.28Å; S876-L989 WeakPolarHBondContact OG-CD2 3.48Å; V937-L989 HydrophobicContact CB-CD1 4.28Å; V937-L989 HydrophobicContact CG1-CD1 3.54Å; V937-L989 HydrophobicContact CG1-CG 4.2Å; V937-L989 HydrophobicContact CG2-CD1 3.64Å; P985-L989 WeakPolarHBondContact O-CG 3.45Å; P985-L989 PolarHBondContact O-N 2.85Å; M987-L989 PolarHBondContact O-N 2.89Å; L989-N993 WeakPolarHBondContact O-CB 3.49Å; L989-N993 PolarHBondContact O-N 3.32Å; L989-N993 VanDerWaalsContact O-N 3.16Å; L989-N993 PolarHBondContact O-ND2 2.99Å; L989-L1029 HydrophobicContact CB-CD1 4Å
990	L	90.7	Very high	88	Confident	12 Å²	12	35.2 Å²	35.2	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-49	176.5	-178.9	63.1	0	0	0	110.8	P986 M987 N993 V994 I1026 L1029 L1033	P986-L990 WeakPolarHBondContact O-CB 3.41Å; P986-L990 PolarHBondContact O-N 2.91Å; M987-L990 PolarHBondContact O-N 3.06Å; L990-N993 PolarHBondContact O-N 3.01Å; L990-V994 HydrophobicContact CD1-CG2 4.35Å; L990-V994 WeakPolarHBondContact O-CB 3.26Å; L990-V994 VanDerWaalsContact O-CG2 3.29Å; L990-V994 WeakPolarHBondContact O-CG2 3.43Å; L990-V994 PolarHBondContact O-N 2.93Å; L990-I1026 HydrophobicContact CD1-CG1 4.37Å; L990-I1026 HydrophobicContact CD1-CG2 4.23Å; L990-L1029 HydrophobicContact CB-CD1 4.12Å; L990-L1029 HydrophobicContact CD1-CB 4.25Å; L990-L1033 HydrophobicContact CD2-CB 3.98Å; L990-L1033 HydrophobicContact CD2-CD1 4.07Å; L990-L1033 HydrophobicContact CD2-CD2 4.31Å; L990-L1033 HydrophobicContact CD2-CG 4.33Å
991	I	90.8	Very high	88.5	Confident	89 Å²	89	36.5 Å²	36.5	46%	0.456	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-48	-179.8	-69	165.7	0	0	0	110.9	M987 T988 N993 V994 I995	M987-I991 HydrophobicContact CE-CD1 4.24Å; M987-I991 WeakPolarHBondContact O-CB 3.39Å; M987-I991 VanDerWaalsContact O-CG1 3.26Å; M987-I991 WeakPolarHBondContact O-CG1 3.32Å; M987-I991 PolarHBondContact O-N 3.06Å; T988-I991 PolarHBondContact O-N 3.45Å; I991-N993 PolarHBondContact O-N 3.26Å; I991-V994 PolarHBondContact O-N 3.46Å; I991-I995 HydrophobicContact CG2-CD1 3.65Å; I991-I995 HydrophobicContact CG2-CG1 4.37Å; I991-I995 VanDerWaalsContact O-CG1 3.32Å; I991-I995 WeakPolarHBondContact O-CG1 3.48Å; I991-I995 PolarHBondContact O-N 3.26Å
992	I	93.1	Very high	88.4	Confident	57 Å²	57	33.1 Å²	33.1	29%	0.292	18%	0.184	S	C	.	.	H	α-helix	trans	-68	-35	-177.3	-158.4	176.1	0	0	0	112.5	A879 L883 T988 G996	A879-I992 HydrophobicContact CB-CB 4.49Å; A879-I992 HydrophobicContact CB-CG1 4.1Å; A879-I992 HydrophobicContact CB-CG2 4.04Å; A879-I992 WeakPolarHBondContact CB-O 3.36Å; L883-I992 HydrophobicContact CD1-CG1 4.28Å; T988-I992 WeakPolarHBondContact O-CB 3.22Å; T988-I992 VanDerWaalsContact O-CG2 3.32Å; T988-I992 WeakPolarHBondContact O-CG2 3.36Å; T988-I992 PolarHBondContact O-N 2.93Å; I992-G996 PolarHBondContact O-N 3.39Å
993	N	92.2	Very high	88.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-70.8	-38.3	173.9	-81.1	-83.3	0	0	0	112.1	C875 L989 L990 I991 G996 V997 I1026	C875-N993 PolarHBondContact O-ND2 2.83Å; L989-N993 WeakPolarHBondContact O-CB 3.49Å; L989-N993 PolarHBondContact O-N 3.32Å; L989-N993 VanDerWaalsContact O-N 3.16Å; L989-N993 PolarHBondContact O-ND2 2.99Å; L990-N993 PolarHBondContact O-N 3.01Å; I991-N993 PolarHBondContact O-N 3.26Å; N993-G996 PolarHBondContact O-N 3.13Å; N993-V997 WeakPolarHBondContact O-CG2 3.29Å; N993-V997 PolarHBondContact O-N 3.29Å; N993-I1026 HydrophobicContact CB-CD1 4.16Å; N993-I1026 HydrophobicContact CB-CG1 3.99Å
994	V	88.6	Confident	87.8	Confident	47 Å²	47	35.6 Å²	35.6	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-45.4	174.6	169	0	0	0	0	111.3	L990 I991 G996 V997 I998 I1026	L990-V994 HydrophobicContact CD1-CG2 4.35Å; L990-V994 WeakPolarHBondContact O-CB 3.26Å; L990-V994 VanDerWaalsContact O-CG2 3.29Å; L990-V994 WeakPolarHBondContact O-CG2 3.43Å; L990-V994 PolarHBondContact O-N 2.93Å; I991-V994 PolarHBondContact O-N 3.46Å; V994-G996 PolarHBondContact O-N 3.49Å; V994-V997 PolarHBondContact O-N 3.49Å; V994-I998 HydrophobicContact CG1-CD1 3.91Å; V994-I998 WeakPolarHBondContact O-CG1 3.38Å; V994-I998 PolarHBondContact O-N 3.46Å; V994-I1026 HydrophobicContact CG2-CD1 3.96Å; V994-I1026 HydrophobicContact CG2-CG1 4.32Å
995	I	89.7	Confident	87.4	Confident	85 Å²	85	36.2 Å²	36.2	44%	0.436	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-45.1	174.5	-67.1	170.1	0	0	0	110.4	L883 I991 V997 I998 V999	L883-I995 HydrophobicContact CD2-CG2 4.38Å; I991-I995 HydrophobicContact CG2-CD1 3.65Å; I991-I995 HydrophobicContact CG2-CG1 4.37Å; I991-I995 VanDerWaalsContact O-CG1 3.32Å; I991-I995 WeakPolarHBondContact O-CG1 3.48Å; I991-I995 PolarHBondContact O-N 3.26Å; I995-V997 PolarHBondContact O-N 2.79Å; I995-I998 PolarHBondContact O-N 3.49Å; I995-V999 HydrophobicContact CG2-CG2 4.21Å; I995-V999 WeakPolarHBondContact O-CG2 3.33Å; I995-V999 PolarHBondContact O-N 3.11Å
996	G	89.1	Confident	86.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57	-44.9	175.7	0	0	0	0	0	112.8	L882 I992 N993 V994 V999 G1000	L882-G996 WeakPolarHBondContact CB-O 3.47Å; I992-G996 PolarHBondContact O-N 3.39Å; N993-G996 PolarHBondContact O-N 3.13Å; V994-G996 PolarHBondContact O-N 3.49Å; G996-V999 PolarHBondContact O-N 3.32Å; G996-G1000 PolarHBondContact O-N 3.1Å
997	V	88.6	Confident	85.9	Confident	28 Å²	28	41.3 Å²	41.3	17%	0.17	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-45.8	176	165.7	0	0	0	0	111.4	L882 N993 V994 I995 V1001 L1019 A1022 I1026	L882-V997 HydrophobicContact CD1-CG2 4.09Å; N993-V997 WeakPolarHBondContact O-CG2 3.29Å; N993-V997 PolarHBondContact O-N 3.29Å; V994-V997 PolarHBondContact O-N 3.49Å; I995-V997 PolarHBondContact O-N 2.79Å; V997-V1001 WeakPolarHBondContact O-CB 3.49Å; V997-V1001 VanDerWaalsContact O-CG2 3.28Å; V997-V1001 WeakPolarHBondContact O-CG2 3.41Å; V997-V1001 PolarHBondContact O-N 2.94Å; V997-L1019 HydrophobicContact CB-CD2 4.28Å; V997-L1019 HydrophobicContact CG1-CD2 4.05Å; V997-L1019 HydrophobicContact CG2-CD2 4.01Å; V997-A1022 HydrophobicContact CG2-CB 3.67Å; V997-I1026 HydrophobicContact CG2-CD1 4.11Å
998	I	86.2	Confident	85.1	Confident	31 Å²	31	41 Å²	41	16%	0.159	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-45.7	179.9	-65.9	165.5	0	0	0	111	V994 I995 S1002 T1059	V994-I998 HydrophobicContact CG1-CD1 3.91Å; V994-I998 WeakPolarHBondContact O-CG1 3.38Å; V994-I998 PolarHBondContact O-N 3.46Å; I995-I998 PolarHBondContact O-N 3.49Å; I998-S1002 WeakPolarHBondContact O-CB 3.47Å; I998-S1002 PolarHBondContact O-N 3.19Å; I998-T1059 HydrophobicContact CG2-CG2 4.03Å; I998-T1059 WeakPolarHBondContact CG2-OG1 3.14Å
999	V	85.1	Confident	84.1	Confident	54 Å²	54	47 Å²	47	33%	0.327	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-48.3	178.4	172.2	0	0	0	0	111.2	L883 I995 G996 V1001 S1002 D1003	L883-V999 HydrophobicContact CD2-CB 3.96Å; L883-V999 HydrophobicContact CD2-CG1 4.05Å; L883-V999 HydrophobicContact CD2-CG2 3.97Å; I995-V999 HydrophobicContact CG2-CG2 4.21Å; I995-V999 WeakPolarHBondContact O-CG2 3.33Å; I995-V999 PolarHBondContact O-N 3.11Å; G996-V999 PolarHBondContact O-N 3.32Å; V999-V1001 PolarHBondContact O-N 2.92Å; V999-S1002 WeakPolarHBondContact O-CB 3.3Å; V999-S1002 PolarHBondContact O-N 3.26Å; V999-S1002 VanDerWaalsContact O-N 3.14Å; V999-D1003 WeakPolarHBondContact O-CB 3.31Å; V999-D1003 PolarHBondContact O-N 2.9Å
1000	G	83.9	Confident	82.9	Confident	4 Å²	4	54 Å²	54	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-36.4	-178.2	0	0	0	0	0	113.7	G996 A1004 L1015	G996-G1000 PolarHBondContact O-N 3.1Å; G1000-A1004 WeakPolarHBondContact O-CB 3.39Å; G1000-A1004 PolarHBondContact O-N 3.46Å; G1000-A1004 VanDerWaalsContact O-N 3.13Å; G1000-L1015 VanDerWaalsContact O-CD1 3.31Å; G1000-L1015 WeakPolarHBondContact O-CD1 3.41Å
1001	V	83.4	Confident	82	Confident	54 Å²	54	54.9 Å²	54.9	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-41.5	171.5	169.9	0	0	0	0	110.9	V997 V999 I1005 L1019	V997-V1001 WeakPolarHBondContact O-CB 3.49Å; V997-V1001 VanDerWaalsContact O-CG2 3.28Å; V997-V1001 WeakPolarHBondContact O-CG2 3.41Å; V997-V1001 PolarHBondContact O-N 2.94Å; V999-V1001 PolarHBondContact O-N 2.92Å; V1001-I1005 HydrophobicContact CG1-CD1 3.75Å; V1001-I1005 WeakPolarHBondContact O-CB 3.43Å; V1001-I1005 WeakPolarHBondContact O-CD1 3.28Å; V1001-I1005 VanDerWaalsContact O-CG1 3.26Å; V1001-I1005 WeakPolarHBondContact O-CG1 3.24Å; V1001-I1005 PolarHBondContact O-N 3.3Å; V1001-I1005 VanDerWaalsContact O-N 3.13Å; V1001-L1019 HydrophobicContact CG2-CD1 3.93Å; V1001-L1019 HydrophobicContact CG2-CD2 4.04Å
1002	S	81	Confident	81.1	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.014	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-42.1	178.2	-165.4	0	0	0	0	112.4	I998 V999 I1005 S1006 V1063	I998-S1002 WeakPolarHBondContact O-CB 3.47Å; I998-S1002 PolarHBondContact O-N 3.19Å; V999-S1002 WeakPolarHBondContact O-CB 3.3Å; V999-S1002 PolarHBondContact O-N 3.26Å; V999-S1002 VanDerWaalsContact O-N 3.14Å; S1002-I1005 PolarHBondContact O-N 2.94Å; S1002-S1006 PolarHBondContact O-N 3.41Å; S1002-S1006 VanDerWaalsContact O-N 3.11Å; S1002-S1006 PolarHBondContact O-OG 2.98Å; S1002-V1063 WeakPolarHBondContact OG-CG2 3.09Å
1003	D	78.5	Confident	80.3	Confident	63 Å²	63	56.8 Å²	56.8	34%	0.337	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-45.5	178.7	-178.5	71.7	0	0	0	112.2	V999 I1005 S1006 N1007	V999-D1003 WeakPolarHBondContact O-CB 3.31Å; V999-D1003 PolarHBondContact O-N 2.9Å; D1003-I1005 VanDerWaalsContact C-N 3.28Å; D1003-I1005 PolarHBondContact O-N 2.96Å; D1003-S1006 WeakPolarHBondContact CA-OG 3.32Å; D1003-S1006 PolarHBondContact O-N 2.86Å; D1003-S1006 VanDerWaalsContact O-N 3.12Å; D1003-S1006 PolarHBondContact O-OG 3.22Å; D1003-N1007 WeakPolarHBondContact O-CB 3.4Å; D1003-N1007 PolarHBondContact O-N 3.25Å; D1003-N1007 PolarHBondContact O-ND2 3.06Å; D1003-N1007 PolarHBondContact OD1-ND2 3.47Å; D1003-N1007 PolarHBondContact OD2-ND2 3.16Å
1004	A	79.1	Confident	79.6	Confident	2 Å²	2	59.6 Å²	59.6	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-29.4	176.3	0	0	0	0	0	113.5	G1000 G1008 S1011 L1015	G1000-A1004 WeakPolarHBondContact O-CB 3.39Å; G1000-A1004 PolarHBondContact O-N 3.46Å; G1000-A1004 VanDerWaalsContact O-N 3.13Å; A1004-G1008 PolarHBondContact O-N 3.5Å; A1004-S1011 WeakPolarHBondContact CA-OG 3.25Å; A1004-S1011 WeakPolarHBondContact CB-OG 3.32Å; A1004-S1011 PolarHBondContact O-OG 3.25Å; A1004-L1015 HydrophobicContact CB-CB 4.46Å; A1004-L1015 HydrophobicContact CB-CD1 4.1Å; A1004-L1015 HydrophobicContact CB-CD2 3.56Å; A1004-L1015 HydrophobicContact CB-CG 4.22Å
1005	I	80.5	Confident	79.2	Confident	91 Å²	91	58 Å²	58	47%	0.467	32%	0.321	S	S	.	.	H	α-helix	trans	-72.6	-31.3	173.2	-72	167.8	0	0	0	111.5	V1001 S1002 D1003 L1060	V1001-I1005 HydrophobicContact CG1-CD1 3.75Å; V1001-I1005 WeakPolarHBondContact O-CB 3.43Å; V1001-I1005 WeakPolarHBondContact O-CD1 3.28Å; V1001-I1005 VanDerWaalsContact O-CG1 3.26Å; V1001-I1005 WeakPolarHBondContact O-CG1 3.24Å; V1001-I1005 PolarHBondContact O-N 3.3Å; V1001-I1005 VanDerWaalsContact O-N 3.13Å; S1002-I1005 PolarHBondContact O-N 2.94Å; D1003-I1005 VanDerWaalsContact C-N 3.28Å; D1003-I1005 PolarHBondContact O-N 2.96Å; I1005-L1060 HydrophobicContact CB-CD2 4.13Å; I1005-L1060 HydrophobicContact CD1-CD2 3.98Å; I1005-L1060 HydrophobicContact CG2-CD2 3.87Å
1006	S	77.2	Confident	78.9	Confident	55 Å²	55	61.2 Å²	61.2	39%	0.385	33%	0.332	S	S	.	.	H	α-helix	trans	-79.3	-32.3	172.4	42.9	0	0	0	0	114.2	S1002 D1003	S1002-S1006 PolarHBondContact O-N 3.41Å; S1002-S1006 VanDerWaalsContact O-N 3.11Å; S1002-S1006 PolarHBondContact O-OG 2.98Å; D1003-S1006 WeakPolarHBondContact CA-OG 3.32Å; D1003-S1006 PolarHBondContact O-N 2.86Å; D1003-S1006 VanDerWaalsContact O-N 3.12Å; D1003-S1006 PolarHBondContact O-OG 3.22Å
1007	N	72.7	Confident	78.5	Confident	73 Å²	73	62.2 Å²	62.2	39%	0.39	34%	0.342	S	S	.	.	H	α-helix	trans	-94.3	-5.9	-170.4	-62.7	-19.5	0	0	0	114.2	D1003	D1003-N1007 WeakPolarHBondContact O-CB 3.4Å; D1003-N1007 PolarHBondContact O-N 3.25Å; D1003-N1007 PolarHBondContact O-ND2 3.06Å; D1003-N1007 PolarHBondContact OD1-ND2 3.47Å; D1003-N1007 PolarHBondContact OD2-ND2 3.16Å
1008	G	71.1	Confident	78.3	Confident	30 Å²	30	62.8 Å²	62.8	31%	0.309	34%	0.341	S	S	.	.			trans	88.7	-179.6	172.1	0	0	0	0	0	115.1	A1004 D1010 S1011	A1004-G1008 PolarHBondContact O-N 3.5Å; G1008-D1010 VanDerWaalsContact C-N 3.32Å; G1008-D1010 PolarHBondContact O-N 2.85Å; G1008-S1011 PolarHBondContact O-N 3.18Å; G1008-S1011 PolarHBondContact O-OG 3.49Å
1009	Y	71.6	Confident	78.3	Confident	202 Å²	202	62.7 Å²	62.7	79%	0.792	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-62	-31	-165	-81.7	-74.4	0	0	0	114.8	S1011 W1012	Y1009-S1011 PolarHBondContact O-N 2.83Å; Y1009-S1011 VanDerWaalsContact O-N 3.13Å; Y1009-W1012 WeakPolarHBondContact O-CB 3.32Å; Y1009-W1012 PolarHBondContact O-N 3.05Å; Y1009-W1012 VanDerWaalsContact O-N 3.07Å
1010	D	68	Low	78.5	Confident	156 Å²	156	64.8 Å²	64.8	83%	0.834	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-63.2	-23.9	-177.2	-52.6	-56.9	0	0	0	112.8	G1008 W1012	G1008-D1010 VanDerWaalsContact C-N 3.32Å; G1008-D1010 PolarHBondContact O-N 2.85Å; D1010-W1012 VanDerWaalsContact C-N 3.31Å; D1010-W1012 PolarHBondContact O-N 2.83Å
1011	S	71.8	Confident	78.7	Confident	30 Å²	30	67.3 Å²	67.3	21%	0.21	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-72.3	-17	177	69.4	0	0	0	0	114.7	A1004 G1008 Y1009 G1013 P1014 L1015	A1004-S1011 WeakPolarHBondContact CA-OG 3.25Å; A1004-S1011 WeakPolarHBondContact CB-OG 3.32Å; A1004-S1011 PolarHBondContact O-OG 3.25Å; G1008-S1011 PolarHBondContact O-N 3.18Å; G1008-S1011 PolarHBondContact O-OG 3.49Å; Y1009-S1011 PolarHBondContact O-N 2.83Å; Y1009-S1011 VanDerWaalsContact O-N 3.13Å; S1011-G1013 PolarHBondContact O-N 3.29Å; S1011-P1014 WeakPolarHBondContact O-CD 3.31Å; S1011-L1015 WeakPolarHBondContact O-CB 3.35Å; S1011-L1015 PolarHBondContact O-N 2.97Å
1012	W	72.2	Confident	79.1	Confident	129 Å²	129	64.7 Å²	64.7	49%	0.489	34%	0.34	S	S	.	.	H	α-helix	trans	-72.6	-30.9	-165.5	-77.9	61.9	0	0	0	114.3	Y1009 D1010 L1015 F1016	Y1009-W1012 WeakPolarHBondContact O-CB 3.32Å; Y1009-W1012 PolarHBondContact O-N 3.05Å; Y1009-W1012 VanDerWaalsContact O-N 3.07Å; D1010-W1012 VanDerWaalsContact C-N 3.31Å; D1010-W1012 PolarHBondContact O-N 2.83Å; W1012-L1015 PolarHBondContact O-N 3.09Å; W1012-F1016 PolarHBondContact O-N 2.76Å
1013	G	76.7	Confident	79.6	Confident	57 Å²	57	68.5 Å²	68.5	59%	0.588	36%	0.36	S	S	*	.	H	α-helix	trans	-62.4	-58.4	176.2	0	0	0	0	0	112.2	S1011 L1015 F1016	S1011-G1013 PolarHBondContact O-N 3.29Å; G1013-L1015 VanDerWaalsContact C-N 3.29Å; G1013-L1015 PolarHBondContact O-N 3.31Å; G1013-F1016 PolarHBondContact O-N 3.39Å
1014	P	76.1	Confident	80.2	Confident	58 Å²	58	69.8 Å²	69.8	38%	0.377	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-36.4	172.9	-26.3	35.5	0	0	0	113.5	S1011 G1017 R1018	S1011-P1014 WeakPolarHBondContact O-CD 3.31Å; P1014-G1017 PolarHBondContact O-N 2.92Å; P1014-R1018 VanDerWaalsContact O-CG 3.3Å; P1014-R1018 WeakPolarHBondContact O-CG 3.35Å; P1014-R1018 PolarHBondContact O-N 3.02Å
1015	L	80.9	Confident	80.9	Confident	15 Å²	15	69.8 Å²	69.8	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-58	-48.8	175.9	179.9	73.9	0	0	0	111.7	L882 G1000 A1004 S1011 W1012 G1013 G1017 R1018 L1019	L882-L1015 HydrophobicContact CD2-CD1 4.31Å; G1000-L1015 VanDerWaalsContact O-CD1 3.31Å; G1000-L1015 WeakPolarHBondContact O-CD1 3.41Å; A1004-L1015 HydrophobicContact CB-CB 4.46Å; A1004-L1015 HydrophobicContact CB-CD1 4.1Å; A1004-L1015 HydrophobicContact CB-CD2 3.56Å; A1004-L1015 HydrophobicContact CB-CG 4.22Å; S1011-L1015 WeakPolarHBondContact O-CB 3.35Å; S1011-L1015 PolarHBondContact O-N 2.97Å; W1012-L1015 PolarHBondContact O-N 3.09Å; G1013-L1015 VanDerWaalsContact C-N 3.29Å; G1013-L1015 PolarHBondContact O-N 3.31Å; L1015-G1017 VanDerWaalsContact C-N 3.3Å; L1015-G1017 PolarHBondContact O-N 2.66Å; L1015-R1018 PolarHBondContact O-N 2.89Å; L1015-L1019 HydrophobicContact CD1-CD1 3.96Å; L1015-L1019 HydrophobicContact CD1-CD2 4.33Å; L1015-L1019 HydrophobicContact CD1-CG 3.89Å; L1015-L1019 HydrophobicContact CD2-CD1 3.88Å; L1015-L1019 HydrophobicContact CG-CD1 3.62Å; L1015-L1019 HydrophobicContact CG-CG 3.92Å; L1015-L1019 WeakPolarHBondContact O-CG 3.28Å; L1015-L1019 PolarHBondContact O-N 2.8Å
1016	F	83.2	Confident	81.4	Confident	152 Å²	152	67 Å²	67	67%	0.667	35%	0.345	S	S	*	.	H	α-helix	trans	-57	-43.2	-176.1	-173.7	-93.5	0	0	0	112	W1012 G1013 L1019 F1020	W1012-F1016 PolarHBondContact O-N 2.76Å; G1013-F1016 PolarHBondContact O-N 3.39Å; F1016-L1019 PolarHBondContact O-N 3.44Å; F1016-F1020 WeakPolarHBondContact O-CB 3.46Å; F1016-F1020 PolarHBondContact O-N 2.93Å
1017	G	80.2	Confident	82.1	Confident	20 Å²	20	68.5 Å²	68.5	21%	0.206	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-41.7	175.4	0	0	0	0	0	113.3	P1014 L1015 F1021	P1014-G1017 PolarHBondContact O-N 2.92Å; L1015-G1017 VanDerWaalsContact C-N 3.3Å; L1015-G1017 PolarHBondContact O-N 2.66Å; G1017-F1021 WeakPolarHBondContact O-CD2 3.33Å; G1017-F1021 PolarHBondContact O-N 3.29Å
1018	R	84.1	Confident	82.9	Confident	40 Å²	40	65.3 Å²	65.3	15%	0.151	33%	0.331	C	S	.	.	H	α-helix	trans	-66.5	-45.6	177.3	-63.4	167.8	-163.1	-165	2.1	111.9	L882 G885 F887 P1014 L1015 F1021 A1022	L882-R1018 HydrophobicContact CD2-CB 3.52Å; L882-R1018 HydrophobicContact CG-CB 3.94Å; G885-R1018 VanDerWaalsContact C-NH1 3.27Å; G885-R1018 VanDerWaalsContact O-CZ 3.22Å; G885-R1018 PolarHBondContact O-NH1 2.94Å; G885-R1018 PolarHBondContact O-NH2 3.33Å; F887-R1018 HydrophobicContact CD2-CG 3.51Å; F887-R1018 HydrophobicContact CE2-CG 3.61Å; P1014-R1018 VanDerWaalsContact O-CG 3.3Å; P1014-R1018 WeakPolarHBondContact O-CG 3.35Å; P1014-R1018 PolarHBondContact O-N 3.02Å; L1015-R1018 PolarHBondContact O-N 2.89Å; R1018-F1021 PolarHBondContact O-N 2.89Å; R1018-A1022 PolarHBondContact O-N 3.41Å
1019	L	87.7	Confident	83.7	Confident	29 Å²	29	64 Å²	64	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-40.8	177.8	-69.7	-178.6	0	0	0	111.8	L882 V997 V1001 L1015 F1016 F1021 A1022 L1023	L882-L1019 HydrophobicContact CD1-CD2 4.37Å; L882-L1019 HydrophobicContact CD2-CD2 3.92Å; L882-L1019 HydrophobicContact CD2-CG 4.44Å; V997-L1019 HydrophobicContact CB-CD2 4.28Å; V997-L1019 HydrophobicContact CG1-CD2 4.05Å; V997-L1019 HydrophobicContact CG2-CD2 4.01Å; V1001-L1019 HydrophobicContact CG2-CD1 3.93Å; V1001-L1019 HydrophobicContact CG2-CD2 4.04Å; L1015-L1019 HydrophobicContact CD1-CD1 3.96Å; L1015-L1019 HydrophobicContact CD1-CD2 4.33Å; L1015-L1019 HydrophobicContact CD1-CG 3.89Å; L1015-L1019 HydrophobicContact CD2-CD1 3.88Å; L1015-L1019 HydrophobicContact CG-CD1 3.62Å; L1015-L1019 HydrophobicContact CG-CG 3.92Å; L1015-L1019 WeakPolarHBondContact O-CG 3.28Å; L1015-L1019 PolarHBondContact O-N 2.8Å; F1016-L1019 PolarHBondContact O-N 3.44Å; L1019-F1021 VanDerWaalsContact C-N 3.33Å; L1019-F1021 PolarHBondContact O-N 3.39Å; L1019-A1022 PolarHBondContact O-N 3.5Å; L1019-L1023 VanDerWaalsContact O-CB 3.28Å; L1019-L1023 WeakPolarHBondContact O-CB 3.23Å; L1019-L1023 VanDerWaalsContact O-CG 3.24Å; L1019-L1023 WeakPolarHBondContact O-CG 3.38Å; L1019-L1023 PolarHBondContact O-N 2.9Å
1020	F	88.8	Confident	84.2	Confident	98 Å²	98	60.3 Å²	60.3	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-55.8	-46.6	177.8	-178.4	-96	0	0	0	112	F904 F1016 W1024	F904-F1020 HydrophobicContact CZ-CE1 4.49Å; F1016-F1020 WeakPolarHBondContact O-CB 3.46Å; F1016-F1020 PolarHBondContact O-N 2.93Å; F1020-W1024 WeakPolarHBondContact O-CB 3.35Å; F1020-W1024 PolarHBondContact O-N 3.3Å
1021	F	88.8	Confident	84.6	Confident	57 Å²	57	53.9 Å²	53.9	25%	0.25	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-38.7	178.3	-59.7	-52.9	0	0	0	113.1	P878 G1017 R1018 L1019 W1024 V1025	P878-F1021 HydrophobicContact CB-CB 3.93Å; P878-F1021 HydrophobicContact CG-CB 3.66Å; G1017-F1021 WeakPolarHBondContact O-CD2 3.33Å; G1017-F1021 PolarHBondContact O-N 3.29Å; R1018-F1021 PolarHBondContact O-N 2.89Å; L1019-F1021 VanDerWaalsContact C-N 3.33Å; L1019-F1021 PolarHBondContact O-N 3.39Å; F1021-W1024 WeakPolarHBondContact O-CB 3.13Å; F1021-W1024 PolarHBondContact O-N 3.03Å; F1021-V1025 PolarHBondContact O-N 3.31Å
1022	A	90.7	Very high	84.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-42.2	177.7	0	0	0	0	0	112	P878 L882 V997 R1018 L1019 W1024 V1025 I1026	P878-A1022 HydrophobicContact CB-CB 3.83Å; L882-A1022 HydrophobicContact CD1-CB 3.56Å; V997-A1022 HydrophobicContact CG2-CB 3.67Å; R1018-A1022 PolarHBondContact O-N 3.41Å; L1019-A1022 PolarHBondContact O-N 3.5Å; A1022-W1024 VanDerWaalsContact C-N 3.33Å; A1022-W1024 PolarHBondContact O-N 3.01Å; A1022-V1025 PolarHBondContact O-N 3.48Å; A1022-I1026 WeakPolarHBondContact O-CG1 3.44Å; A1022-I1026 PolarHBondContact O-N 3.02Å
1023	L	91.5	Very high	85	Confident	81 Å²	81	48.5 Å²	48.5	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-38	173.6	-70	171.1	0	0	0	111.5	L1019 V1025 I1026 I1027	L1019-L1023 VanDerWaalsContact O-CB 3.28Å; L1019-L1023 WeakPolarHBondContact O-CB 3.23Å; L1019-L1023 VanDerWaalsContact O-CG 3.24Å; L1019-L1023 WeakPolarHBondContact O-CG 3.38Å; L1019-L1023 PolarHBondContact O-N 2.9Å; L1023-V1025 VanDerWaalsContact C-N 3.35Å; L1023-V1025 PolarHBondContact O-N 2.88Å; L1023-I1026 PolarHBondContact O-N 3.46Å; L1023-I1027 WeakPolarHBondContact O-CB 3.36Å; L1023-I1027 WeakPolarHBondContact O-CD1 3.46Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.45Å; L1023-I1027 PolarHBondContact O-N 3.07Å
1024	W	91.9	Very high	84.8	Confident	90 Å²	90	50.2 Å²	50.2	34%	0.341	24%	0.239	S	C	.	.	H	α-helix	trans	-58.2	-44.3	173.6	179.9	91	0	0	0	112	F1020 F1021 A1022 I1027 H1028	F1020-W1024 WeakPolarHBondContact O-CB 3.35Å; F1020-W1024 PolarHBondContact O-N 3.3Å; F1021-W1024 WeakPolarHBondContact O-CB 3.13Å; F1021-W1024 PolarHBondContact O-N 3.03Å; A1022-W1024 VanDerWaalsContact C-N 3.33Å; A1022-W1024 PolarHBondContact O-N 3.01Å; W1024-I1027 PolarHBondContact O-N 3.41Å; W1024-H1028 AromaticContact CD1-CE1 3.78Å; W1024-H1028 AromaticContact CD2-CE1 3.98Å; W1024-H1028 AromaticContact CD2-ND1 3.9Å; W1024-H1028 AromaticContact CE2-CE1 3.36Å; W1024-H1028 AromaticContact CE2-ND1 3.73Å; W1024-H1028 AromaticContact CZ2-CE1 3.7Å; W1024-H1028 AromaticContact CZ2-NE2 3.96Å; W1024-H1028 AromaticContact NE1-CE1 3.26Å; W1024-H1028 PolarHBondContact NE1-CE1 2.91Å; W1024-H1028 VanDerWaalsContact NE1-CE1 3.26Å; W1024-H1028 AromaticContact NE1-ND1 3.92Å; W1024-H1028 PolarHBondContact O-N 3.09Å; W1024-H1028 PolarHBondContact O-ND1 3.28Å
1025	V	92.8	Very high	84.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-46.9	174.4	177.8	0	0	0	0	111.3	C875 P878 F1021 A1022 L1023 I1027 H1028 L1029	C875-V1025 HydrophobicContact CB-CG1 4.05Å; C875-V1025 HydrophobicContact CB-CG2 4.09Å; P878-V1025 HydrophobicContact CG-CG2 4.41Å; F1021-V1025 PolarHBondContact O-N 3.31Å; A1022-V1025 PolarHBondContact O-N 3.48Å; L1023-V1025 VanDerWaalsContact C-N 3.35Å; L1023-V1025 PolarHBondContact O-N 2.88Å; V1025-I1027 VanDerWaalsContact C-N 3.32Å; V1025-I1027 PolarHBondContact O-N 2.83Å; V1025-H1028 PolarHBondContact O-N 3.45Å; V1025-H1028 VanDerWaalsContact O-N 3.14Å; V1025-L1029 HydrophobicContact CG1-CD1 4.04Å; V1025-L1029 PolarHBondContact O-N 3.44Å
1026	I	91.3	Very high	83.8	Confident	33 Å²	33	49.6 Å²	49.6	17%	0.169	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-40.5	179.8	-67.1	163.9	0	0	0	111.3	L990 N993 V994 V997 A1022 L1023 H1028 L1029 Y1030	L990-I1026 HydrophobicContact CD1-CG1 4.37Å; L990-I1026 HydrophobicContact CD1-CG2 4.23Å; N993-I1026 HydrophobicContact CB-CD1 4.16Å; N993-I1026 HydrophobicContact CB-CG1 3.99Å; V994-I1026 HydrophobicContact CG2-CD1 3.96Å; V994-I1026 HydrophobicContact CG2-CG1 4.32Å; V997-I1026 HydrophobicContact CG2-CD1 4.11Å; A1022-I1026 WeakPolarHBondContact O-CG1 3.44Å; A1022-I1026 PolarHBondContact O-N 3.02Å; L1023-I1026 PolarHBondContact O-N 3.46Å; I1026-H1028 VanDerWaalsContact C-N 3.33Å; I1026-H1028 PolarHBondContact O-N 2.97Å; I1026-L1029 CarbonylContact O-C 3.32Å; I1026-L1029 PolarHBondContact O-N 3.06Å; I1026-Y1030 PolarHBondContact O-N 3.41Å
1027	I	91.4	Very high	83	Confident	87 Å²	87	45.7 Å²	45.7	45%	0.446	22%	0.219	S	C	.	.	H	α-helix	trans	-65.8	-33.5	177.2	-69.8	164	0	0	0	111.8	W926 Q930 L1023 W1024 V1025	W926-I1027 HydrophobicContact CZ2-CG2 3.98Å; Q930-I1027 PolarHBondContact NE2-O 2.76Å; L1023-I1027 WeakPolarHBondContact O-CB 3.36Å; L1023-I1027 WeakPolarHBondContact O-CD1 3.46Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.45Å; L1023-I1027 PolarHBondContact O-N 3.07Å; W1024-I1027 PolarHBondContact O-N 3.41Å; V1025-I1027 VanDerWaalsContact C-N 3.32Å; V1025-I1027 PolarHBondContact O-N 2.83Å
1028	H	90.2	Very high	81.8	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-73.5	-32.5	174.8	-74.2	73.2	0	0	0	112.7	W926 V933 W1024 V1025 I1026 P1031	W926-H1028 AromaticContact CH2-CE1 3.51Å; W926-H1028 AromaticContact CH2-NE2 3.73Å; W926-H1028 AromaticContact CZ2-CE1 3.7Å; W926-H1028 AromaticContact CZ2-NE2 3.93Å; V933-H1028 HydrophobicContact CB-CB 4.19Å; V933-H1028 HydrophobicContact CG1-CB 4.06Å; V933-H1028 HydrophobicContact CG2-CB 4.27Å; W1024-H1028 AromaticContact CD1-CE1 3.78Å; W1024-H1028 AromaticContact CD2-CE1 3.98Å; W1024-H1028 AromaticContact CD2-ND1 3.9Å; W1024-H1028 AromaticContact CE2-CE1 3.36Å; W1024-H1028 AromaticContact CE2-ND1 3.73Å; W1024-H1028 AromaticContact CZ2-CE1 3.7Å; W1024-H1028 AromaticContact CZ2-NE2 3.96Å; W1024-H1028 AromaticContact NE1-CE1 3.26Å; W1024-H1028 PolarHBondContact NE1-CE1 2.91Å; W1024-H1028 VanDerWaalsContact NE1-CE1 3.26Å; W1024-H1028 AromaticContact NE1-ND1 3.92Å; W1024-H1028 PolarHBondContact O-N 3.09Å; W1024-H1028 PolarHBondContact O-ND1 3.28Å; V1025-H1028 PolarHBondContact O-N 3.45Å; V1025-H1028 VanDerWaalsContact O-N 3.14Å; I1026-H1028 VanDerWaalsContact C-N 3.33Å; I1026-H1028 PolarHBondContact O-N 2.97Å; H1028-P1031 WeakPolarHBondContact O-CD 3.48Å
1029	L	88.3	Confident	80.3	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-85.5	-7.2	175.9	-61.9	178.6	0	0	0	113.8	I934 P986 L989 L990 V1025 I1026 F1032 L1033	I934-L1029 HydrophobicContact CG1-CD2 4.01Å; P986-L1029 HydrophobicContact CB-CD2 4.49Å; L989-L1029 HydrophobicContact CB-CD1 4Å; L990-L1029 HydrophobicContact CB-CD1 4.12Å; L990-L1029 HydrophobicContact CD1-CB 4.25Å; V1025-L1029 HydrophobicContact CG1-CD1 4.04Å; V1025-L1029 PolarHBondContact O-N 3.44Å; I1026-L1029 CarbonylContact O-C 3.32Å; I1026-L1029 PolarHBondContact O-N 3.06Å; L1029-F1032 WeakPolarHBondContact O-CB 3.39Å; L1029-F1032 PolarHBondContact O-N 2.86Å; L1029-F1032 VanDerWaalsContact O-N 3.1Å; L1029-L1033 PolarHBondContact O-N 2.9Å
1030	Y	82	Confident	78.5	Confident	125 Å²	125	55.1 Å²	55.1	49%	0.49	26%	0.258	S	S	.	.	H	α-helix	trans	-58.5	-39.8	-179	-179.6	-109.9	0	0	0	115.2	I1026 F1032 L1033 K1034	I1026-Y1030 PolarHBondContact O-N 3.41Å; Y1030-F1032 PolarHBondContact O-N 3.42Å; Y1030-L1033 PolarHBondContact O-N 3.14Å; Y1030-K1034 PolarHBondContact O-N 3.45Å
1031	P	77.2	Confident	76.6	Confident	22 Å²	22	56.6 Å²	56.6	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-32.6	175.1	-22.3	34.3	0	0	0	112.9	Q930 I934 H1028 G1035	Q930-P1031 HydrophobicContact CB-CG 4.15Å; Q930-P1031 VanDerWaalsContact CD-CG 3.47Å; Q930-P1031 HydrophobicContact CG-CG 4.35Å; I934-P1031 HydrophobicContact CD1-CB 4.48Å; H1028-P1031 WeakPolarHBondContact O-CD 3.48Å; P1031-G1035 PolarHBondContact O-N 3.23Å
1032	F	77.1	Confident	74.7	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-70.1	-43.1	174	166.9	-114.9	0	0	0	111.5	L817 I934 L983 P986 M987 L1029 Y1030 K1034 G1035 L1036	L817-F1032 HydrophobicContact CD2-CD2 3.82Å; L817-F1032 HydrophobicContact CD2-CE2 4.38Å; I934-F1032 HydrophobicContact CD1-CB 3.89Å; I934-F1032 HydrophobicContact CG1-CB 4.24Å; L983-F1032 HydrophobicContact CB-CE2 4.27Å; L983-F1032 HydrophobicContact CB-CZ 4.13Å; L983-F1032 HydrophobicContact CD1-CE2 4.43Å; L983-F1032 HydrophobicContact CD2-CE2 3.9Å; L983-F1032 HydrophobicContact CG-CE2 4.42Å; P986-F1032 HydrophobicContact CB-CD1 3.76Å; P986-F1032 HydrophobicContact CB-CE1 3.57Å; P986-F1032 HydrophobicContact CB-CG 4.48Å; P986-F1032 HydrophobicContact CB-CZ 4.16Å; M987-F1032 HydrophobicContact CG-CE1 3.82Å; M987-F1032 HydrophobicContact CG-CZ 3.76Å; M987-F1032 HydrophobicContact SD-CE1 3.55Å; M987-F1032 VanDerWaalsContact SD-CE1 3.55Å; M987-F1032 HydrophobicContact SD-CZ 3.75Å; L1029-F1032 WeakPolarHBondContact O-CB 3.39Å; L1029-F1032 PolarHBondContact O-N 2.86Å; L1029-F1032 VanDerWaalsContact O-N 3.1Å; Y1030-F1032 PolarHBondContact O-N 3.42Å; F1032-K1034 PolarHBondContact O-N 2.87Å; F1032-G1035 CarbonylContact O-C 3.6Å; F1032-G1035 VanDerWaalsContact O-CA 3.29Å; F1032-G1035 WeakPolarHBondContact O-CA 3.46Å; F1032-G1035 PolarHBondContact O-N 3.13Å; F1032-L1036 PolarHBondContact O-N 2.98Å
1033	L	75.2	Confident	73	Confident	44 Å²	44	68.3 Å²	68.3	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-44.8	172.2	178.2	59.7	0	0	0	111.9	L990 L1029 Y1030 G1035 L1036 L1037	L990-L1033 HydrophobicContact CD2-CB 3.98Å; L990-L1033 HydrophobicContact CD2-CD1 4.07Å; L990-L1033 HydrophobicContact CD2-CD2 4.31Å; L990-L1033 HydrophobicContact CD2-CG 4.33Å; L1029-L1033 PolarHBondContact O-N 2.9Å; Y1030-L1033 PolarHBondContact O-N 3.14Å; L1033-G1035 PolarHBondContact O-N 3.46Å; L1033-L1036 HydrophobicContact CD1-CD2 4.46Å; L1033-L1036 PolarHBondContact O-N 3.13Å; L1033-L1037 HydrophobicContact CD1-CD1 4.14Å; L1033-L1037 HydrophobicContact CD1-CG 4.33Å; L1033-L1037 HydrophobicContact CG-CD1 4.14Å; L1033-L1037 WeakPolarHBondContact O-CG 3.24Å; L1033-L1037 PolarHBondContact O-N 3.05Å
1034	K	70.9	Confident	71.2	Confident	93 Å²	93	66.9 Å²	66.9	40%	0.404	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-22.5	173.2	-161.1	-176.2	177	-177.2	0	112.1	R606 Y1030 F1032	R606-K1034 PolarHBondContact NH2-O 2.91Å; Y1030-K1034 PolarHBondContact O-N 3.45Å; F1032-K1034 PolarHBondContact O-N 2.87Å
1035	G	67.9	Low	69.9	Low	4 Å²	4	67.3 Å²	67.3	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-73.9	-46.4	172.7	0	0	0	0	0	112.5	P1031 F1032 L1033 L1037 G1038	P1031-G1035 PolarHBondContact O-N 3.23Å; F1032-G1035 CarbonylContact O-C 3.6Å; F1032-G1035 VanDerWaalsContact O-CA 3.29Å; F1032-G1035 WeakPolarHBondContact O-CA 3.46Å; F1032-G1035 PolarHBondContact O-N 3.13Å; L1033-G1035 PolarHBondContact O-N 3.46Å; G1035-L1037 VanDerWaalsContact C-N 3.34Å; G1035-L1037 PolarHBondContact O-N 3.05Å; G1035-G1038 WeakPolarHBondContact O-CA 3.34Å; G1035-G1038 PolarHBondContact O-N 3.28Å
1036	L	68.2	Low	68.8	Low	55 Å²	55	72 Å²	72	29%	0.288	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-42	174.9	-176.5	77	0	0	0	112.4	F977 W979 M987 F1032 L1033 G1038	F977-L1036 HydrophobicContact CE1-CD1 4.01Å; F977-L1036 HydrophobicContact CE2-CB 4.23Å; F977-L1036 HydrophobicContact CE2-CD1 3.77Å; F977-L1036 HydrophobicContact CZ-CD1 3.4Å; W979-L1036 HydrophobicContact CZ3-CD1 4.46Å; M987-L1036 HydrophobicContact CE-CD2 3.64Å; M987-L1036 HydrophobicContact SD-CD2 3.67Å; F1032-L1036 PolarHBondContact O-N 2.98Å; L1033-L1036 HydrophobicContact CD1-CD2 4.46Å; L1033-L1036 PolarHBondContact O-N 3.13Å; L1036-G1038 PolarHBondContact O-N 3.24Å
1037	L	67.8	Low	68.1	Low	71 Å²	71	74.6 Å²	74.6	37%	0.372	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	2.4	175.1	-62.9	171.2	0	0	0	113.2	L1033 G1035 K1039 M1043 V1048	L1033-L1037 HydrophobicContact CD1-CD1 4.14Å; L1033-L1037 HydrophobicContact CD1-CG 4.33Å; L1033-L1037 HydrophobicContact CG-CD1 4.14Å; L1033-L1037 WeakPolarHBondContact O-CG 3.24Å; L1033-L1037 PolarHBondContact O-N 3.05Å; G1035-L1037 VanDerWaalsContact C-N 3.34Å; G1035-L1037 PolarHBondContact O-N 3.05Å; L1037-K1039 PolarHBondContact O-N 2.7Å; L1037-M1043 HydrophobicContact CD2-CE 4.45Å; L1037-V1048 HydrophobicContact CD1-CG2 4.31Å
1038	G	54.5	Low	67.1	Low	8 Å²	8	72.4 Å²	72.4	8%	0.082	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	57.5	-171.5	0	0	0	0	0	115.2	Y975 G1035 L1036	Y975-G1038 WeakPolarHBondContact CA-O 3.33Å; Y975-G1038 WeakPolarHBondContact CB-O 3.44Å; Y975-G1038 VanDerWaalsContact CD1-O 3.24Å; Y975-G1038 WeakPolarHBondContact CD1-O 3.26Å; G1035-G1038 WeakPolarHBondContact O-CA 3.34Å; G1035-G1038 PolarHBondContact O-N 3.28Å; L1036-G1038 PolarHBondContact O-N 3.24Å
1039	K	52.9	Low	66.4	Low	158 Å²	158	75.8 Å²	75.8	69%	0.687	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-6.8	157.7	-83.7	-163.7	171.5	-172.1	0	114	L1037	L1037-K1039 PolarHBondContact O-N 2.7Å
1040	Q	49.5	Very low	66.1	Low	121 Å²	121	83.9 Å²	83.9	57%	0.565	40%	0.404	S	S	*	.			trans	-143.3	96.1	-175.4	-66.7	173.8	-54.2	0	0	111.4	R1042 M1043	Q1040-R1042 PolarHBondContact O-N 3.39Å; Q1040-R1042 VanDerWaalsContact O-N 3.09Å; Q1040-M1043 HydrophobicContact CB-CB 3.89Å; Q1040-M1043 HydrophobicContact CB-CG 3.98Å; Q1040-M1043 PolarHBondContact O-N 3.13Å
1041	D	49.2	Very low	66	Low	129 Å²	129	81.1 Å²	81.1	69%	0.69	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.3	158.8	-85.6	-37.2	0	0	0	111.9	Y975	Y975-D1041 PolarHBondContact OH-OD2 3.45Å
1042	R	49.3	Very low	66	Low	237 Å²	237	84 Å²	84	89%	0.894	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	1.9	169.8	-81.6	-171.9	173.3	-174.7	-0.9	115.4	Q1040 P1044	Q1040-R1042 PolarHBondContact O-N 3.39Å; Q1040-R1042 VanDerWaalsContact O-N 3.09Å; R1042-P1044 WeakPolarHBondContact O-CD 3.49Å
1043	M	53.2	Low	66.2	Low	65 Å²	65	87.4 Å²	87.4	32%	0.32	43%	0.434	S	S	.	.	S	Bend	trans	-78.7	100.1	161.2	-102.7	-81	-82.3	0	0	105.8	L1037 Q1040 T1045 I1047	L1037-M1043 HydrophobicContact CD2-CE 4.45Å; Q1040-M1043 HydrophobicContact CB-CB 3.89Å; Q1040-M1043 HydrophobicContact CB-CG 3.98Å; Q1040-M1043 PolarHBondContact O-N 3.13Å; M1043-T1045 PolarHBondContact O-N 3.37Å; M1043-I1047 HydrophobicContact CE-CG2 4.2Å; M1043-I1047 HydrophobicContact SD-CB 4.34Å; M1043-I1047 HydrophobicContact SD-CD1 3.91Å; M1043-I1047 HydrophobicContact SD-CG2 4.17Å
1044	P	54.7	Low	66.7	Low	51 Å²	51	90.3 Å²	90.3	33%	0.331	45%	0.45	S	S	.	.			trans	-68.3	142.5	-174.7	33.7	-36.3	0	0	0	107.7	R1042 I1046 I1047	R1042-P1044 WeakPolarHBondContact O-CD 3.49Å; P1044-I1046 HydrophobicContact CB-CB 3.87Å; P1044-I1046 HydrophobicContact CB-CD1 4.09Å; P1044-I1046 HydrophobicContact CB-CG1 4.09Å; P1044-I1046 HydrophobicContact CG-CB 4Å; P1044-I1046 PolarHBondContact O-N 3.33Å; P1044-I1047 HydrophobicContact CG-CD1 4.22Å; P1044-I1047 HydrophobicContact CG-CG1 4Å; P1044-I1047 PolarHBondContact O-N 2.85Å
1045	T	63.6	Low	67.2	Low	100 Å²	100	87.7 Å²	87.7	61%	0.613	45%	0.445	S	S	*	.	H	α-helix	trans	-49.7	-30	171.7	46.4	0	0	0	0	111.5	M1043 I1047 V1048 V1049	M1043-T1045 PolarHBondContact O-N 3.37Å; T1045-I1047 VanDerWaalsContact C-N 3.32Å; T1045-I1047 PolarHBondContact O-N 3.42Å; T1045-V1048 PolarHBondContact O-N 3.04Å; T1045-V1048 VanDerWaalsContact O-N 3.09Å; T1045-V1049 WeakPolarHBondContact O-CG2 3.48Å; T1045-V1049 PolarHBondContact O-N 3.47Å
1046	I	71.3	Confident	67.7	Low	99 Å²	99	89.1 Å²	89.1	51%	0.508	46%	0.455	S	S	.	.	H	α-helix	trans	-41.2	-46.9	166.6	-58.1	172.7	0	0	0	113.7	P1044 V1049 W1050	P1044-I1046 HydrophobicContact CB-CB 3.87Å; P1044-I1046 HydrophobicContact CB-CD1 4.09Å; P1044-I1046 HydrophobicContact CB-CG1 4.09Å; P1044-I1046 HydrophobicContact CG-CB 4Å; P1044-I1046 PolarHBondContact O-N 3.33Å; I1046-V1049 PolarHBondContact O-N 2.93Å; I1046-W1050 VanDerWaalsContact CG2-CD1 3.42Å; I1046-W1050 WeakPolarHBondContact O-CB 3.24Å; I1046-W1050 PolarHBondContact O-N 2.81Å
1047	I	75.5	Confident	68.4	Low	88 Å²	88	90.9 Å²	90.9	45%	0.451	46%	0.463	S	S	.	.	H	α-helix	trans	-67.8	-41.2	-179.7	-73.6	177.4	0	0	0	111.4	M1043 P1044 T1045 W1050 S1051	M1043-I1047 HydrophobicContact CE-CG2 4.2Å; M1043-I1047 HydrophobicContact SD-CB 4.34Å; M1043-I1047 HydrophobicContact SD-CD1 3.91Å; M1043-I1047 HydrophobicContact SD-CG2 4.17Å; P1044-I1047 HydrophobicContact CG-CD1 4.22Å; P1044-I1047 HydrophobicContact CG-CG1 4Å; P1044-I1047 PolarHBondContact O-N 2.85Å; T1045-I1047 VanDerWaalsContact C-N 3.32Å; T1045-I1047 PolarHBondContact O-N 3.42Å; I1047-W1050 PolarHBondContact O-N 2.82Å; I1047-S1051 PolarHBondContact O-N 3.25Å; I1047-S1051 PolarHBondContact O-OG 2.84Å
1048	V	70.3	Confident	69.2	Low	41 Å²	41	92.3 Å²	92.3	25%	0.248	47%	0.471	C	S	.	.	H	α-helix	trans	-69.5	-37.1	177.2	-178.3	0	0	0	0	110.8	L1037 T1045 S1051 I1052	L1037-V1048 HydrophobicContact CD1-CG2 4.31Å; T1045-V1048 PolarHBondContact O-N 3.04Å; T1045-V1048 VanDerWaalsContact O-N 3.09Å; V1048-S1051 PolarHBondContact O-N 3.48Å; V1048-S1051 PolarHBondContact O-OG 3.2Å; V1048-S1051 VanDerWaalsContact O-OG 3.05Å; V1048-I1052 HydrophobicContact CG1-CD1 4Å; V1048-I1052 WeakPolarHBondContact O-CB 3.41Å; V1048-I1052 WeakPolarHBondContact O-CD1 3.42Å; V1048-I1052 VanDerWaalsContact O-CG1 3.23Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.32Å; V1048-I1052 PolarHBondContact O-N 3.12Å
1049	V	75.5	Confident	70.5	Confident	78 Å²	78	93.7 Å²	93.7	47%	0.473	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-45.6	172.9	169.5	0	0	0	0	110.7	T1045 I1046 S1051 I1052 L1053	T1045-V1049 WeakPolarHBondContact O-CG2 3.48Å; T1045-V1049 PolarHBondContact O-N 3.47Å; I1046-V1049 PolarHBondContact O-N 2.93Å; V1049-S1051 PolarHBondContact O-N 3.41Å; V1049-I1052 PolarHBondContact O-N 3.36Å; V1049-L1053 HydrophobicContact CG1-CD1 3.78Å; V1049-L1053 HydrophobicContact CG1-CG 4.3Å; V1049-L1053 WeakPolarHBondContact O-CB 3.48Å; V1049-L1053 VanDerWaalsContact O-CG 3.24Å; V1049-L1053 WeakPolarHBondContact O-CG 3.4Å; V1049-L1053 PolarHBondContact O-N 3.11Å
1050	W	81.9	Confident	71.6	Confident	170 Å²	170	89 Å²	89	64%	0.644	46%	0.46	S	S	*	.	H	α-helix	trans	-64	-37.7	175.9	-79.5	123.8	0	0	0	113	I1046 I1047 L1053 L1054	I1046-W1050 VanDerWaalsContact CG2-CD1 3.42Å; I1046-W1050 WeakPolarHBondContact O-CB 3.24Å; I1046-W1050 PolarHBondContact O-N 2.81Å; I1047-W1050 PolarHBondContact O-N 2.82Å; W1050-L1053 HydrophobicContact CE3-CD1 4.03Å; W1050-L1053 HydrophobicContact CZ3-CD1 4.28Å; W1050-L1053 PolarHBondContact O-N 3.37Å; W1050-L1054 VanDerWaalsContact O-CB 3.24Å; W1050-L1054 WeakPolarHBondContact O-CB 3.42Å; W1050-L1054 PolarHBondContact O-N 2.88Å
1051	S	80	Confident	73.2	Confident	67 Å²	67	87.7 Å²	87.7	47%	0.469	46%	0.456	S	S	.	.	H	α-helix	trans	-69.5	-35.9	176.6	68.5	0	0	0	0	112.2	I1047 V1048 V1049 A1055	I1047-S1051 PolarHBondContact O-N 3.25Å; I1047-S1051 PolarHBondContact O-OG 2.84Å; V1048-S1051 PolarHBondContact O-N 3.48Å; V1048-S1051 PolarHBondContact O-OG 3.2Å; V1048-S1051 VanDerWaalsContact O-OG 3.05Å; V1049-S1051 PolarHBondContact O-N 3.41Å; S1051-A1055 VanDerWaalsContact O-CB 3.24Å; S1051-A1055 WeakPolarHBondContact O-CB 3.36Å; S1051-A1055 PolarHBondContact O-N 2.87Å
1052	I	77	Confident	74.8	Confident	82 Å²	82	89.7 Å²	89.7	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-66.6	-43.1	171.8	-68.4	166.1	0	0	0	111.3	V1048 V1049 A1055 S1056	V1048-I1052 HydrophobicContact CG1-CD1 4Å; V1048-I1052 WeakPolarHBondContact O-CB 3.41Å; V1048-I1052 WeakPolarHBondContact O-CD1 3.42Å; V1048-I1052 VanDerWaalsContact O-CG1 3.23Å; V1048-I1052 WeakPolarHBondContact O-CG1 3.32Å; V1048-I1052 PolarHBondContact O-N 3.12Å; V1049-I1052 PolarHBondContact O-N 3.36Å; I1052-A1055 PolarHBondContact O-N 3.49Å; I1052-S1056 PolarHBondContact O-N 2.73Å; I1052-S1056 PolarHBondContact O-OG 3.36Å
1053	L	81.5	Confident	76.1	Confident	74 Å²	74	79.6 Å²	79.6	39%	0.387	42%	0.419	S	S	.	.	H	α-helix	trans	-64.6	-41.9	175.9	-72.5	170.5	0	0	0	111.9	V1049 W1050 S1056 I1057	V1049-L1053 HydrophobicContact CG1-CD1 3.78Å; V1049-L1053 HydrophobicContact CG1-CG 4.3Å; V1049-L1053 WeakPolarHBondContact O-CB 3.48Å; V1049-L1053 VanDerWaalsContact O-CG 3.24Å; V1049-L1053 WeakPolarHBondContact O-CG 3.4Å; V1049-L1053 PolarHBondContact O-N 3.11Å; W1050-L1053 HydrophobicContact CE3-CD1 4.03Å; W1050-L1053 HydrophobicContact CZ3-CD1 4.28Å; W1050-L1053 PolarHBondContact O-N 3.37Å; L1053-S1056 PolarHBondContact O-N 2.94Å; L1053-S1056 PolarHBondContact O-OG 3.45Å; L1053-I1057 WeakPolarHBondContact O-CB 3.29Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.4Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.39Å; L1053-I1057 PolarHBondContact O-N 3.3Å
1054	L	85.8	Confident	77.1	Confident	105 Å²	105	86 Å²	86	55%	0.55	44%	0.44	S	S	.	.	H	α-helix	trans	-65.8	-42.4	175.9	-176.3	62.4	0	0	0	111	W1050 I1057 L1058	W1050-L1054 VanDerWaalsContact O-CB 3.24Å; W1050-L1054 WeakPolarHBondContact O-CB 3.42Å; W1050-L1054 PolarHBondContact O-N 2.88Å; L1054-I1057 PolarHBondContact O-N 2.89Å; L1054-L1058 HydrophobicContact CD1-CD1 4.28Å; L1054-L1058 HydrophobicContact CD1-CG 4.39Å; L1054-L1058 HydrophobicContact CG-CD1 4.01Å; L1054-L1058 WeakPolarHBondContact O-CB 3.4Å; L1054-L1058 VanDerWaalsContact O-CG 3.24Å; L1054-L1058 WeakPolarHBondContact O-CG 3.24Å; L1054-L1058 PolarHBondContact O-N 3.24Å
1055	A	81.2	Confident	78.3	Confident	38 Å²	38	88.9 Å²	88.9	31%	0.314	46%	0.456	S	S	.	.	H	α-helix	trans	-64.4	-39	176.2	0	0	0	0	0	112.6	S1051 I1052 T1059	S1051-A1055 VanDerWaalsContact O-CB 3.24Å; S1051-A1055 WeakPolarHBondContact O-CB 3.36Å; S1051-A1055 PolarHBondContact O-N 2.87Å; I1052-A1055 PolarHBondContact O-N 3.49Å; A1055-T1059 WeakPolarHBondContact O-CB 3.2Å; A1055-T1059 PolarHBondContact O-N 3.44Å; A1055-T1059 PolarHBondContact O-OG1 2.96Å
1056	S	78.2	Confident	78.7	Confident	35 Å²	35	85.6 Å²	85.6	25%	0.245	44%	0.435	C	S	.	.	H	α-helix	trans	-70.5	-40.9	176.2	69	0	0	0	0	112.2	I1052 L1053 T1059 L1060	I1052-S1056 PolarHBondContact O-N 2.73Å; I1052-S1056 PolarHBondContact O-OG 3.36Å; L1053-S1056 PolarHBondContact O-N 2.94Å; L1053-S1056 PolarHBondContact O-OG 3.45Å; S1056-T1059 PolarHBondContact O-N 2.91Å; S1056-L1060 WeakPolarHBondContact O-CB 3.41Å; S1056-L1060 VanDerWaalsContact O-CG 3.29Å; S1056-L1060 WeakPolarHBondContact O-CG 3.24Å; S1056-L1060 PolarHBondContact O-N 3.03Å
1057	I	83.6	Confident	78.1	Confident	91 Å²	91	85.7 Å²	85.7	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-59.4	-47.4	172.3	-70.3	164.9	0	0	0	110.9	L1053 L1054 T1059 L1060 L1061	L1053-I1057 WeakPolarHBondContact O-CB 3.29Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.4Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.39Å; L1053-I1057 PolarHBondContact O-N 3.3Å; L1054-I1057 PolarHBondContact O-N 2.89Å; I1057-T1059 VanDerWaalsContact C-N 3.34Å; I1057-T1059 PolarHBondContact O-N 3.41Å; I1057-L1060 PolarHBondContact O-N 2.82Å; I1057-L1061 HydrophobicContact CG2-CD1 3.94Å; I1057-L1061 WeakPolarHBondContact O-CB 3.49Å; I1057-L1061 VanDerWaalsContact O-CG 3.31Å; I1057-L1061 WeakPolarHBondContact O-CG 3.42Å; I1057-L1061 PolarHBondContact O-N 3.42Å
1058	L	85.2	Confident	77.3	Confident	101 Å²	101	90.5 Å²	90.5	53%	0.529	46%	0.46	S	S	.	.	H	α-helix	trans	-63.9	-37	177.7	-72.2	170.6	0	0	0	112.4	L1054 W1062	L1054-L1058 HydrophobicContact CD1-CD1 4.28Å; L1054-L1058 HydrophobicContact CD1-CG 4.39Å; L1054-L1058 HydrophobicContact CG-CD1 4.01Å; L1054-L1058 WeakPolarHBondContact O-CB 3.4Å; L1054-L1058 VanDerWaalsContact O-CG 3.24Å; L1054-L1058 WeakPolarHBondContact O-CG 3.24Å; L1054-L1058 PolarHBondContact O-N 3.24Å; L1058-W1062 WeakPolarHBondContact O-CB 3.5Å; L1058-W1062 PolarHBondContact O-N 2.97Å
1059	T	80.4	Confident	76.8	Confident	37 Å²	37	90.7 Å²	90.7	23%	0.227	46%	0.461	C	S	.	.	H	α-helix	trans	-69.5	-42.5	176.3	-52.9	0	0	0	0	111.6	I998 A1055 S1056 I1057 L1061 W1062 V1063	I998-T1059 HydrophobicContact CG2-CG2 4.03Å; I998-T1059 WeakPolarHBondContact CG2-OG1 3.14Å; A1055-T1059 WeakPolarHBondContact O-CB 3.2Å; A1055-T1059 PolarHBondContact O-N 3.44Å; A1055-T1059 PolarHBondContact O-OG1 2.96Å; S1056-T1059 PolarHBondContact O-N 2.91Å; I1057-T1059 VanDerWaalsContact C-N 3.34Å; I1057-T1059 PolarHBondContact O-N 3.41Å; T1059-L1061 PolarHBondContact O-N 2.89Å; T1059-W1062 PolarHBondContact O-N 3.45Å; T1059-V1063 WeakPolarHBondContact O-CG2 3.39Å; T1059-V1063 PolarHBondContact O-N 3.27Å
1060	L	77.3	Confident	75.6	Confident	60 Å²	60	91.1 Å²	91.1	31%	0.314	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-40.7	174.8	-75.1	164.8	0	0	0	111.9	I1005 S1056 I1057 R1064	I1005-L1060 HydrophobicContact CB-CD2 4.13Å; I1005-L1060 HydrophobicContact CD1-CD2 3.98Å; I1005-L1060 HydrophobicContact CG2-CD2 3.87Å; S1056-L1060 WeakPolarHBondContact O-CB 3.41Å; S1056-L1060 VanDerWaalsContact O-CG 3.29Å; S1056-L1060 WeakPolarHBondContact O-CG 3.24Å; S1056-L1060 PolarHBondContact O-N 3.03Å; I1057-L1060 PolarHBondContact O-N 2.82Å; L1060-R1064 VanDerWaalsContact O-CB 3.3Å; L1060-R1064 WeakPolarHBondContact O-CB 3.3Å; L1060-R1064 PolarHBondContact O-N 3.19Å
1061	L	83.8	Confident	74.1	Confident	93 Å²	93	89.2 Å²	89.2	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-61.5	-47.9	172.2	-75.8	167.6	0	0	0	111.1	I1057 T1059 R1064 V1065	I1057-L1061 HydrophobicContact CG2-CD1 3.94Å; I1057-L1061 WeakPolarHBondContact O-CB 3.49Å; I1057-L1061 VanDerWaalsContact O-CG 3.31Å; I1057-L1061 WeakPolarHBondContact O-CG 3.42Å; I1057-L1061 PolarHBondContact O-N 3.42Å; T1059-L1061 PolarHBondContact O-N 2.89Å; L1061-R1064 PolarHBondContact O-N 2.84Å; L1061-V1065 WeakPolarHBondContact O-CB 3.41Å; L1061-V1065 VanDerWaalsContact O-CG2 3.25Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.44Å; L1061-V1065 PolarHBondContact O-N 3.48Å
1062	W	82.3	Confident	72.5	Confident	171 Å²	171	89.5 Å²	89.5	65%	0.648	48%	0.483	S	S	*	.	H	α-helix	trans	-58.3	-49.3	177.6	-179.6	-100.2	0	0	0	112.3	L1058 T1059 R1064 V1065 N1066	L1058-W1062 WeakPolarHBondContact O-CB 3.5Å; L1058-W1062 PolarHBondContact O-N 2.97Å; T1059-W1062 PolarHBondContact O-N 3.45Å; W1062-R1064 VanDerWaalsContact C-N 3.3Å; W1062-R1064 PolarHBondContact O-N 3.45Å; W1062-V1065 PolarHBondContact O-N 3.14Å; W1062-N1066 WeakPolarHBondContact CZ2-ND2 3.33Å; W1062-N1066 PolarHBondContact NE1-ND2 3.36Å; W1062-N1066 WeakPolarHBondContact O-CB 3.25Å; W1062-N1066 PolarHBondContact O-N 2.79Å
1063	V	75	Confident	70.9	Confident	25 Å²	25	88.3 Å²	88.3	15%	0.152	49%	0.491	C	S	.	.	H	α-helix	trans	-63.2	-34.5	178.2	166.8	0	0	0	0	112.2	S1002 T1059 V1069	S1002-V1063 WeakPolarHBondContact OG-CG2 3.09Å; T1059-V1063 WeakPolarHBondContact O-CG2 3.39Å; T1059-V1063 PolarHBondContact O-N 3.27Å; V1063-V1069 HydrophobicContact CG1-CG1 4.31Å
1064	R	75.7	Confident	69.2	Low	200 Å²	200	90.3 Å²	90.3	76%	0.755	51%	0.508	S	S	*	.	H	α-helix	trans	-73.9	-38.9	178.2	-164.1	177.7	-171.6	94.9	-0.5	112.8	L1060 L1061 W1062 K1071	L1060-R1064 VanDerWaalsContact O-CB 3.3Å; L1060-R1064 WeakPolarHBondContact O-CB 3.3Å; L1060-R1064 PolarHBondContact O-N 3.19Å; L1061-R1064 PolarHBondContact O-N 2.84Å; W1062-R1064 VanDerWaalsContact C-N 3.3Å; W1062-R1064 PolarHBondContact O-N 3.45Å; R1064-K1071 PolarHBondContact O-NZ 3.02Å
1065	V	80.2	Confident	67.1	Low	111 Å²	111	91.1 Å²	91.1	67%	0.673	51%	0.512	S	S	*	.	H	α-helix	trans	-81.3	-40.3	-176.6	170.7	0	0	0	0	112.5	L1061 W1062 P1067	L1061-V1065 WeakPolarHBondContact O-CB 3.41Å; L1061-V1065 VanDerWaalsContact O-CG2 3.25Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.44Å; L1061-V1065 PolarHBondContact O-N 3.48Å; W1062-V1065 PolarHBondContact O-N 3.14Å; V1065-P1067 WeakPolarHBondContact O-CD 3.31Å
1066	N	72.1	Confident	65.7	Low	31 Å²	31	95.5 Å²	95.5	17%	0.166	53%	0.529	C	S	.	.			trans	-68.3	116	-174.3	-175.2	-18.7	0	0	0	111	W1062 F1068 V1069	W1062-N1066 WeakPolarHBondContact CZ2-ND2 3.33Å; W1062-N1066 PolarHBondContact NE1-ND2 3.36Å; W1062-N1066 WeakPolarHBondContact O-CB 3.25Å; W1062-N1066 PolarHBondContact O-N 2.79Å; N1066-F1068 PolarHBondContact O-N 3.16Å; N1066-F1068 WeakPolarHBondContact OD1-CB 3.36Å; N1066-F1068 WeakPolarHBondContact OD1-CD2 3.42Å; N1066-F1068 PolarHBondContact OD1-N 3.38Å; N1066-V1069 HydrophobicContact CB-CG2 4.14Å
1067	P	58.5	Low	64.4	Low	102 Å²	102	102.2 Å²	102.2	66%	0.662	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-11.5	-176.4	32.3	-36.4	0	0	0	113.5	V1065	V1065-P1067 WeakPolarHBondContact O-CD 3.31Å
1068	F	59	Low	63	Low	189 Å²	189	105.2 Å²	105.2	83%	0.829	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-7.1	-179.3	-55.5	-72.1	0	0	0	113.6	N1066 A1070	N1066-F1068 PolarHBondContact O-N 3.16Å; N1066-F1068 WeakPolarHBondContact OD1-CB 3.36Å; N1066-F1068 WeakPolarHBondContact OD1-CD2 3.42Å; N1066-F1068 PolarHBondContact OD1-N 3.38Å; F1068-A1070 PolarHBondContact O-N 2.91Å
1069	V	58.5	Low	61.6	Low	45 Å²	45	104.4 Å²	104.4	27%	0.273	57%	0.574	S	S	.	*	S	Bend	trans	-77.4	120.5	166.5	-175.2	0	0	0	0	107.5	V1063 N1066 K1071	V1063-V1069 HydrophobicContact CG1-CG1 4.31Å; N1066-V1069 HydrophobicContact CB-CG2 4.14Å; V1069-K1071 VanDerWaalsContact C-N 3.32Å; V1069-K1071 PolarHBondContact O-N 3.25Å
1070	A	50.7	Low	59.9	Low	87 Å²	87	106 Å²	106	72%	0.719	60%	0.598	S	S	*	*			trans	-68.9	83.8	-171.2	0	0	0	0	0	112.3	F1068 G1072	F1068-A1070 PolarHBondContact O-N 2.91Å; A1070-G1072 PolarHBondContact O-N 3.43Å
1071	K	49.7	Very low	58.5	Low	129 Å²	129	110 Å²	110	56%	0.561	62%	0.618	S	S	*	*			trans	-52.5	120.9	161	-68.7	166.2	-176.7	166.7	0	107	R1064 V1069 G1073	R1064-K1071 PolarHBondContact O-NZ 3.02Å; V1069-K1071 VanDerWaalsContact C-N 3.32Å; V1069-K1071 PolarHBondContact O-N 3.25Å; K1071-G1073 PolarHBondContact O-N 2.92Å; K1071-G1073 VanDerWaalsContact O-N 3.14Å
1072	G	46.8	Very low	56.4	Low	74 Å²	74	113.9 Å²	113.9	76%	0.763	64%	0.64	S	S	*	*			trans	-45.9	121.6	-176.3	0	0	0	0	0	110.6	A1070	A1070-G1072 PolarHBondContact O-N 3.43Å
1073	G	43.5	Very low	55.1	Low	57 Å²	57	111.5 Å²	111.5	59%	0.588	65%	0.648	S	S	*	*			trans	-59.9	153.8	-169.7	0	0	0	0	0	112.2	K1071 I1075	K1071-G1073 PolarHBondContact O-N 2.92Å; K1071-G1073 VanDerWaalsContact O-N 3.14Å; G1073-I1075 PolarHBondContact O-N 2.93Å
1074	P	45.3	Very low	53.2	Low	116 Å²	116	122.5 Å²	122.5	75%	0.753	70%	0.704	S	S	*	*			trans	-54.9	140.2	170.6	26.9	-34.7	0	0	0	109.3	L1076	P1074-L1076 PolarHBondContact O-N 2.9Å
1075	I	43.2	Very low	52	Low	122 Å²	122	118.6 Å²	118.6	63%	0.626	70%	0.702	S	S	*	*			trans	-55.4	105.9	-171.3	-60.2	167.9	0	0	0	109.9	G1073 E1077 I1078	G1073-I1075 PolarHBondContact O-N 2.93Å; I1075-E1077 HydrophobicContact CG2-CB 4.17Å; I1075-E1077 HydrophobicContact CG2-CG 4.2Å; I1075-E1077 PolarHBondContact O-N 3.32Å; I1075-E1077 VanDerWaalsContact O-N 3.16Å; I1075-I1078 PolarHBondContact O-N 2.92Å
1076	L	50.7	Low	50.5	Low	130 Å²	130	119 Å²	119	68%	0.681	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-69	-14.2	-167.9	-76.8	167.8	0	0	0	113.9	P1074 I1078 C1079	P1074-L1076 PolarHBondContact O-N 2.9Å; L1076-I1078 PolarHBondContact O-N 3.24Å; L1076-C1079 PolarHBondContact O-N 3.34Å
1077	E	51.9	Low	49.3	Very low	176 Å²	176	123.9 Å²	123.9	82%	0.822	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-56	-30	173.5	-60.1	-175.9	130.5	0	0	112.6	I1075 C1079	I1075-E1077 HydrophobicContact CG2-CB 4.17Å; I1075-E1077 HydrophobicContact CG2-CG 4.2Å; I1075-E1077 PolarHBondContact O-N 3.32Å; I1075-E1077 VanDerWaalsContact O-N 3.16Å; E1077-C1079 PolarHBondContact O-N 3.18Å
1078	I	54	Low	48.8	Very low	153 Å²	153	125.2 Å²	125.2	79%	0.785	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-71.6	-17.5	177.6	-58.5	176.8	0	0	0	111.8	I1075 L1076	I1075-I1078 PolarHBondContact O-N 2.92Å; L1076-I1078 PolarHBondContact O-N 3.24Å
1079	C	55.4	Low	48.2	Very low	85 Å²	85	121.2 Å²	121.2	57%	0.574	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-101.2	-6.1	-177.6	-66.6	0	0	0	0	114.6	L1076 E1077 L1081	L1076-C1079 PolarHBondContact O-N 3.34Å; E1077-C1079 PolarHBondContact O-N 3.18Å; C1079-L1081 VanDerWaalsContact C-N 3.34Å; C1079-L1081 PolarHBondContact O-N 3.3Å
1080	G	45.2	Very low	47.5	Very low	70 Å²	70	126.3 Å²	126.3	72%	0.722	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.8	32.9	168.3	0	0	0	0	0	116.4
1081	L	47.9	Very low	47.3	Very low	143 Å²	143	129.1 Å²	129.1	75%	0.749	77%	0.766	S	S	*	*			trans	-118.9	98.5	-176.8	-77.6	166	0	0	0	111.6	C1079 C1083	C1079-L1081 VanDerWaalsContact C-N 3.34Å; C1079-L1081 PolarHBondContact O-N 3.3Å; L1081-C1083 PolarHBondContact O-N 3.02Å
1082	D	38.1	Very low	47.1	Very low	175 Å²	175	129.1 Å²	129.1	94%	0.936	78%	0.781	S	S	*	*			trans	-71.7	115.5	165.9	-75.1	-39.3	0	0	0	110.2
1083	C	55	Low	47.1	Very low	122 Å²	122	133.7 Å²	133.7	82%	0.824	78%	0.783	S	S	*	*			trans	-129.7	137.8	169.3	-80	0	0	0	0	109.8	L1081	L1081-C1083 PolarHBondContact O-N 3.02Å
1084	L	35	Very low	47.4	Very low	255 Å²	255	140.6 Å²	140.6	100%	1.335	80%	0.801	S	S	*	*			trans	-65.3	0	-171.8	-73.4	156.7	0	0	0	115

Retrieved 1,084 of 1,084 residues in 1115.5 ms (Link to these results)

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