CESA6_ARATH Loading...

Cellulose synthase A catalytic subunit 6 [UDP-forming]

Catalytic subunit of cellulose synthase terminal complexes ('rosettes'), required for beta-1,4-glucan microfibril crystallization, a major mechanism of the cell wall formation. Involved in the primary cell wall formation. The presence of each protein CESA1 and CESA6 is critical for cell expansion. The hypocotyl elongation is based on a CESA6-dependent cell elongation in dark and a CESA6-independent cell elongation in light. The transition between these two mechanisms requires photosynthesis and PHYB, but not CRY1. The CESA6-dependent cell elongation seems to be independent of gibberellic acid, auxin and ethylene. May be involved in sensitivity to isoxaben. Associates with and moves along cortical microtubules for the process of cellulose deposition.

AlphaFold DB , UniProt , Accession Q94JQ6, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene CESA6, Length 1,084 aa.

						>CESA6_ARATH|Q94JQ6|CESA6
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 404.7 ms (Link to these results)

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